Identifier,MonoisotopicMass,MolecularFormula,SMILES,InChI,InChIKey1,InChIKey2,InChIKey3,Name,InChIKey
HMDB00001,169.085126611,C7H11N3O2,CN1C=NC(C[C@H](N)C(O)=O)=C1,"InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1",BRMWTNUJHUMWMS,LURJTMIESA,N,1-Methylhistidine,BRMWTNUJHUMWMS-LURJTMIESA-N
HMDB00002,74.08439833,C3H10N2,NCCCN,InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2,XFNJVJPLKCPIBV,UHFFFAOYSA,N,"1,3-Diaminopropane",XFNJVJPLKCPIBV-UHFFFAOYSA-N
HMDB00005,102.031694058,C4H6O3,CCC(=O)C(O)=O,"InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)",TYEYBOSBBBHJIV,UHFFFAOYSA,N,2-Ketobutyric acid,TYEYBOSBBBHJIV-UHFFFAOYSA-N
HMDB00008,104.047344122,C4H8O3,CCC(O)C(O)=O,"InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)",AFENDNXGAFYKQO,UHFFFAOYSA,N,2-Hydroxybutyric acid,AFENDNXGAFYKQO-UHFFFAOYSA-N
HMDB00010,300.172544634,C19H24O3,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3,"InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1",WHEUWNKSCXYKBU,QPWUGHHJSA,N,2-Methoxyestrone,WHEUWNKSCXYKBU-QPWUGHHJSA-N
HMDB00011,104.047344122,C4H8O3,C[C@@H](O)CC(O)=O,"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1",WHBMMWSBFZVSSR,GSVOUGTGSA,N,(R)-3-Hydroxybutyric acid,WHBMMWSBFZVSSR-GSVOUGTGSA-N
HMDB00012,228.074621504,C9H12N2O5,OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1",MXHRCPNRJAMMIM,SHYZEUOFSA,N,Deoxyuridine,MXHRCPNRJAMMIM-SHYZEUOFSA-N
HMDB00014,227.090605919,C9H13N3O4,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1,"InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1",CKTSBUTUHBMZGZ,SHYZEUOFSA,N,Deoxycytidine,CKTSBUTUHBMZGZ-SHYZEUOFSA-N
HMDB00015,346.214409448,C21H30O4,[H]C12CC[C@](O)(C(=O)CO)[C@@]1(C)CCC1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16?,17?,19+,20+,21+/m1/s1",WHBHBVVOGNECLV,HMGFGKNBSA,N,Cortexolone,WHBHBVVOGNECLV-HMGFGKNBSA-N
HMDB00016,330.219494826,C21H30O3,[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1",ZESRJSPZRDMNHY,YFWFAHHUSA,N,Deoxycorticosterone,ZESRJSPZRDMNHY-YFWFAHHUSA-N
HMDB00017,183.053157781,C8H9NO4,CC1=NC=C(CO)C(C(O)=O)=C1O,"InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)",HXACOUQIXZGNBF,UHFFFAOYSA,N,4-Pyridoxic acid,HXACOUQIXZGNBF-UHFFFAOYSA-N
HMDB00019,116.047344122,C5H8O3,CC(C)C(=O)C(O)=O,"InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)",QHKABHOOEWYVLI,UHFFFAOYSA,N,Alpha-ketoisovaleric acid,QHKABHOOEWYVLI-UHFFFAOYSA-N
HMDB00020,152.047344122,C8H8O3,OC(=O)CC1=CC=C(O)C=C1,"InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",XQXPVVBIMDBYFF,UHFFFAOYSA,N,p-Hydroxyphenylacetic acid,XQXPVVBIMDBYFF-UHFFFAOYSA-N
HMDB00021,306.970536611,C9H10INO3,N[C@@H](CC1=CC=C(O)C(I)=C1)C(O)=O,"InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1",UQTZMGFTRHFAAM,ZETCQYMHSA,N,Iodotyrosine,UQTZMGFTRHFAAM-ZETCQYMHSA-N
HMDB00022,167.094628665,C9H13NO2,COC1=C(O)C=CC(CCN)=C1,"InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3",DIVQKHQLANKJQO,UHFFFAOYSA,N,3-Methoxytyramine,DIVQKHQLANKJQO-UHFFFAOYSA-N
HMDB00023,104.047344122,C4H8O3,C[C@@H](CO)C(O)=O,"InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1",DBXBTMSZEOQQDU,VKHMYHEASA,N,(S)-3-Hydroxyisobutyric acid,DBXBTMSZEOQQDU-VKHMYHEASA-N
HMDB00024,891.646933513,C48H93NO11S,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C48H93NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h35,37,41-43,45-48,50-51,53-54H,3-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1",MEAZTWJVOWHKJM,CIAPRIGGSA,N,3-O-Sulfogalactosylceramide (d18:1/24:0),MEAZTWJVOWHKJM-CIAPRIGGSA-N
HMDB00026,132.053492132,C4H8N2O3,NC(=O)NCCC(O)=O,"InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)",JSJWCHRYRHKBBW,UHFFFAOYSA,N,Ureidopropionic acid,JSJWCHRYRHKBBW-UHFFFAOYSA-N
HMDB00027,241.117489371,C9H15N5O3,CC(O)C(O)C1CNC2=C(N1)C(=O)N=C(N)N2,"InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)",FNKQXYHWGSIFBK,UHFFFAOYSA,N,Tetrahydrobiopterin,FNKQXYHWGSIFBK-UHFFFAOYSA-N
HMDB00030,244.088163078,C10H16N2O3S,[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2,"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1",YBJHBAHKTGYVGT,ZKWXMUAHSA,N,Biotin,YBJHBAHKTGYVGT-ZKWXMUAHSA-N
HMDB00031,290.224580204,C19H30O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13?,14-,15-,16-,18-,19-/m0/s1",QGXBDMJGAMFCBF,XYQQMQERSA,N,Androsterone,QGXBDMJGAMFCBF-XYQQMQERSA-N
HMDB00032,384.33921603,C27H44O,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1",UCTLRSWJYQTBFZ,DDPQNLDTSA,N,7-Dehydrocholesterol,UCTLRSWJYQTBFZ-DDPQNLDTSA-N
HMDB00033,226.106590334,C9H14N4O3,NCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O,"InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1",CQOVPNPJLQNMDC,ZETCQYMHSA,N,Carnosine,CQOVPNPJLQNMDC-ZETCQYMHSA-N
HMDB00034,135.054495185,C5H5N5,NC1=C2NC=NC2=NC=N1,"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)",GFFGJBXGBJISGV,UHFFFAOYSA,N,Adenine,GFFGJBXGBJISGV-UHFFFAOYSA-N
HMDB00036,515.291673489,C26H45NO7S,[H][C@@]12C[C@H](O)CCC1(C)C1C[C@H](O)C3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15?,16-,17+,18?,19?,20?,21+,22-,24?,25?,26?/m0/s1",WBWWGRHZICKQGZ,BKXUXKPJSA,N,Taurocholic acid,WBWWGRHZICKQGZ-BKXUXKPJSA-N
HMDB00037,360.193674006,C21H28O5,C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O,"InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14?,15?,16-,17+,19?,20+,21-/m1/s1",PQSUYGKTWSAVDQ,SRPWZAMTSA,N,Aldosterone,PQSUYGKTWSAVDQ-SRPWZAMTSA-N
HMDB00038,239.101839307,C9H13N5O3,CC(O)C(O)C1=NC2=C(NC1)N=C(N)NC2=O,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)",FEMXZDUTFRTWPE,UHFFFAOYSA,N,Dihydrobiopterin,FEMXZDUTFRTWPE-UHFFFAOYSA-N
HMDB00039,88.0524295,C4H8O2,CCCC(O)=O,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",FERIUCNNQQJTOY,UHFFFAOYSA,N,Butyric acid,FERIUCNNQQJTOY-UHFFFAOYSA-N
HMDB00042,60.021129372,C2H4O2,CC(O)=O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",QTBSBXVTEAMEQO,UHFFFAOYSA,N,Acetic acid,QTBSBXVTEAMEQO-UHFFFAOYSA-N
HMDB00043,117.078978601,C5H11NO2,C[N+](C)(C)CC([O-])=O,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3",KWIUHFFTVRNATP,UHFFFAOYSA,N,Betaine,KWIUHFFTVRNATP-UHFFFAOYSA-N
HMDB00044,176.032087988,C6H8O6,[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",CIWBSHSKHKDKBQ,JLAZNSOCSA,N,Ascorbic acid,CIWBSHSKHKDKBQ-JLAZNSOCSA-N
HMDB00045,347.063084339,C10H14N5O7P,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",UDMBCSSLTHHNCD,KQYNXXCUSA,N,Adenosine monophosphate,UDMBCSSLTHHNCD-KQYNXXCUSA-N
HMDB00048,342.116211546,C12H22O11,OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1",DLRVVLDZNNYCBX,ABXHMFFYSA,N,Melibiose,DLRVVLDZNNYCBX-ABXHMFFYSA-N
HMDB00050,267.096753929,C10H13N5O4,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",OIRDTQYFTABQOQ,KQYNXXCUSA,N,Adenosine,OIRDTQYFTABQOQ-KQYNXXCUSA-N
HMDB00051,17.026549101,H3N,N,InChI=1S/H3N/h1H3,QGZKDVFQNNGYKY,UHFFFAOYSA,N,Ammonia,QGZKDVFQNNGYKY-UHFFFAOYSA-N
HMDB00052,290.122634328,C10H18N4O6,N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1",KDZOASGQNOPSCU,WDSKDSINSA,N,Argininosuccinic acid,KDZOASGQNOPSCU-WDSKDSINSA-N
HMDB00053,286.193280076,C19H26O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",AEMFNILZOJDQLW,QAGGRKNESA,N,Androstenedione,AEMFNILZOJDQLW-QAGGRKNESA-N
HMDB00054,584.263484904,C33H36N4O6,CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1,"InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-",BPYKTIZUTYGOLE,IFADSCNNSA,N,Bilirubin,BPYKTIZUTYGOLE-IFADSCNNSA-N
HMDB00055,342.116211546,C12H22O11,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1",GUBGYTABKSRVRQ,QRZGKKJRSA,N,Cellobiose,GUBGYTABKSRVRQ-QRZGKKJRSA-N
HMDB00056,89.047678473,C3H7NO2,NCCC(O)=O,"InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)",UCMIRNVEIXFBKS,UHFFFAOYSA,N,Beta-Alanine,UCMIRNVEIXFBKS-UHFFFAOYSA-N
HMDB00058,329.052519653,C10H12N5O6P,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O,"InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",IVOMOUWHDPKRLL,KQYNXXCUSA,N,Cyclic AMP,IVOMOUWHDPKRLL-KQYNXXCUSA-N
HMDB00060,102.031694058,C4H6O3,CC(=O)CC(O)=O,"InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)",WDJHALXBUFZDSR,UHFFFAOYSA,N,Acetoacetic acid,WDJHALXBUFZDSR-UHFFFAOYSA-N
HMDB00061,427.029414749,C10H15N5O10P2,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1",WHTCPDAXWFLDIH,KQYNXXCUSA,N,"Adenosine 3',5'-diphosphate",WHTCPDAXWFLDIH-KQYNXXCUSA-N
HMDB00062,161.105193351,C7H15NO3,C[N+](C)(C)C[C@H](O)CC([O-])=O,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1",PHIQHXFUZVPYII,ZCFIWIBFSA,N,L-Carnitine,PHIQHXFUZVPYII-ZCFIWIBFSA-N
HMDB00063,362.20932407,C21H30O5,[H][C@@]12CC[C@@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1",JYGXADMDTFJGBT,CZFMHFDVSA,N,Cortisol,JYGXADMDTFJGBT-CZFMHFDVSA-N
HMDB00064,131.069476547,C4H9N3O2,CN(CC(O)=O)C(N)=N,"InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)",CVSVTCORWBXHQV,UHFFFAOYSA,N,Creatine,CVSVTCORWBXHQV-UHFFFAOYSA-N
HMDB00067,386.354866094,C27H46O,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(O)CC[C@]12C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21?,22+,23-,24+,25+,26+,27-/m1/s1",HVYWMOMLDIMFJA,FNOPAARDSA,N,Cholesterol,HVYWMOMLDIMFJA-FNOPAARDSA-N
HMDB00068,183.089543287,C9H13NO3,CNC[C@H](O)C1=CC(O)=C(O)C=C1,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",UCTWMZQNUQWSLP,VIFPVBQESA,N,Epinephrine,UCTWMZQNUQWSLP-VIFPVBQESA-N
HMDB00070,129.078978601,C6H11NO2,OC(=O)C1CCCCN1,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)",HXEACLLIILLPRG,UHFFFAOYSA,N,Pipecolic acid,HXEACLLIILLPRG-UHFFFAOYSA-N
HMDB00071,252.085854882,C10H12N4O4,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC2=O,"InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1",VGONTNSXDCQUGY,RRKCRQDMSA,N,Deoxyinosine,VGONTNSXDCQUGY-RRKCRQDMSA-N
HMDB00072,174.016437924,C6H6O6,OC(=O)C\C(=C\C(O)=O)C(O)=O,"InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-",GTZCVFVGUGFEME,IWQZZHSRSA,N,cis-Aconitic acid,GTZCVFVGUGFEME-IWQZZHSRSA-N
HMDB00073,153.078978601,C8H11NO2,NCCC1=CC(O)=C(O)C=C1,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",VYFYYTLLBUKUHU,UHFFFAOYSA,N,Dopamine,VYFYYTLLBUKUHU-UHFFFAOYSA-N
HMDB00076,114.042927446,C4H6N2O2,O=C1CCNC(=O)N1,"InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)",OIVLITBTBDPEFK,UHFFFAOYSA,N,Dihydrouracil,OIVLITBTBDPEFK-UHFFFAOYSA-N
HMDB00077,288.20893014,C19H28O2,C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14?,15?,16?,18-,19-/m0/s1",FMGSKLZLMKYGDP,INNQQZFDSA,N,Dehydroepiandrosterone,FMGSKLZLMKYGDP-INNQQZFDSA-N
HMDB00078,178.041212886,C5H10N2O3S,N[C@@H](CS)C(=O)NCC(O)=O,"InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1",ZUKPVRWZDMRIEO,VKHMYHEASA,N,Cysteinylglycine,ZUKPVRWZDMRIEO-VKHMYHEASA-N
HMDB00079,128.05857751,C5H8N2O2,CC1CNC(=O)NC1=O,"InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)",NBAKTGXDIBVZOO,UHFFFAOYSA,N,Dihydrothymine,NBAKTGXDIBVZOO-UHFFFAOYSA-N
HMDB00082,482.984511771,C9H16N3O14P3,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",PCDQPRRSZKQHHS,XVFCMESISA,N,Cytidine triphosphate,PCDQPRRSZKQHHS-XVFCMESISA-N
HMDB00085,267.096753929,C10H13N5O4,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1,"InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1",YKBGVTZYEHREMT,KVQBGUIXSA,N,Deoxyguanosine,YKBGVTZYEHREMT-KVQBGUIXSA-N
HMDB00086,257.102823889,C8H20NO6P,C[N+](C)(C)CCOP([O-])(=O)OC[C@@H](O)CO,"InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m0/s1",SUHOQUVVVLNYQR,QMMMGPOBSA,N,Glycerophosphocholine,SUHOQUVVVLNYQR-QMMMGPOBSA-N
HMDB00087,45.057849229,C2H7N,CNC,"InChI=1S/C2H7N/c1-3-2/h3H,1-2H3",ROSDSFDQCJNGOL,UHFFFAOYSA,N,Dimethylamine,ROSDSFDQCJNGOL-UHFFFAOYSA-N
HMDB00089,243.085520541,C9H13N3O5,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1",UHDGCWIWMRVCDJ,XVFCMESISA,N,Cytidine,UHDGCWIWMRVCDJ-XVFCMESISA-N
HMDB00092,103.063328537,C4H9NO2,CN(C)CC(O)=O,"InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)",FFDGPVCHZBVARC,UHFFFAOYSA,N,Dimethylglycine,FFDGPVCHZBVARC-UHFFFAOYSA-N
HMDB00094,192.02700261,C6H8O7,OC(=O)CC(O)(CC(O)=O)C(O)=O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",KRKNYBCHXYNGOX,UHFFFAOYSA,N,Citric acid,KRKNYBCHXYNGOX-UHFFFAOYSA-N
HMDB00095,323.051850951,C9H14N3O8P,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",IERHLVCPSMICTF,XVFCMESISA,N,Cytidine monophosphate,IERHLVCPSMICTF-XVFCMESISA-N
HMDB00097,104.107539075,C5H14NO,C[N+](C)(C)CCO,"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1",OEYIOHPDSNJKLS,UHFFFAOYSA,N,Choline,OEYIOHPDSNJKLS-UHFFFAOYSA-N
HMDB00098,150.05282343,C5H10O5,O[C@@H]1COC(O)[C@H](O)[C@H]1O,"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1",SRBFZHDQGSBBOR,IOVATXLUSA,N,D-Xylose,SRBFZHDQGSBBOR-IOVATXLUSA-N
HMDB00099,222.067427636,C7H14N2O4S,N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",ILRYLPWNYFXEMH,WHFBIAKZSA,N,L-Cystathionine,ILRYLPWNYFXEMH-WHFBIAKZSA-N
HMDB00101,251.101839307,C10H13N5O3,NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1,"InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1",OLXZPDWKRNYJJZ,RRKCRQDMSA,N,Deoxyadenosine,OLXZPDWKRNYJJZ-RRKCRQDMSA-N
HMDB00107,182.07903818,C6H14O6,OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",FBPFZTCFMRRESA,GUCUJZIJSA,N,Galactitol,FBPFZTCFMRRESA-GUCUJZIJSA-N
HMDB00108,46.041864814,C2H6O,CCO,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",LFQSCWFLJHTTHZ,UHFFFAOYSA,N,Ethanol,LFQSCWFLJHTTHZ-UHFFFAOYSA-N
HMDB00112,103.063328537,C4H9NO2,NCCCC(O)=O,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)",BTCSSZJGUNDROE,UHFFFAOYSA,N,Gamma-Aminobutyric acid,BTCSSZJGUNDROE-UHFFFAOYSA-N
HMDB00114,215.055873697,C5H14NO6P,OCCN(CC(O)CO)P(O)(O)=O,"InChI=1S/C5H14NO6P/c7-2-1-6(13(10,11)12)3-5(9)4-8/h5,7-9H,1-4H2,(H2,10,11,12)",FRMZOWIQVCBEAC,UHFFFAOYSA,N,Glycerylphosphorylethanolamine,FRMZOWIQVCBEAC-UHFFFAOYSA-N
HMDB00115,76.016043994,C2H4O3,OCC(O)=O,"InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)",AEMRFAOFKBGASW,UHFFFAOYSA,N,Glycolic acid,AEMRFAOFKBGASW-UHFFFAOYSA-N
HMDB00118,182.057908808,C9H10O4,COC1=CC(CC(O)=O)=CC=C1O,"InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)",QRMZSPFSDQBLIX,UHFFFAOYSA,N,Homovanillic acid,QRMZSPFSDQBLIX-UHFFFAOYSA-N
HMDB00119,74.00039393,C2H2O3,OC(=O)C=O,"InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)",HHLFWLYXYJOTON,UHFFFAOYSA,N,Glyoxylic acid,HHLFWLYXYJOTON-UHFFFAOYSA-N
HMDB00121,441.139681375,C19H19N7O6,NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",OVBPIULPVIDEAO,LBPRGKRZSA,N,Folic acid,OVBPIULPVIDEAO-LBPRGKRZSA-N
HMDB00122,180.063388116,C6H12O6,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",WQZGKKKJIJFFOK,GASJEMHNSA,N,D-Glucose,WQZGKKKJIJFFOK-GASJEMHNSA-N
HMDB00123,75.032028409,C2H5NO2,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH,UHFFFAOYSA,N,Glycine,DHMQDGOQFOQNFH-UHFFFAOYSA-N
HMDB00124,260.029718526,C6H13O9P,OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1",GSXOAOHZAIYLCY,HSUXUTPPSA,N,Fructose 6-phosphate,GSXOAOHZAIYLCY-HSUXUTPPSA-N
HMDB00125,307.083805981,C10H17N3O6S,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",RWSXRVCMGQZWBV,WDSKDSINSA,N,Glutathione,RWSXRVCMGQZWBV-WDSKDSINSA-N
HMDB00126,172.013674532,C3H9O6P,OC[C@@H](O)COP(O)(O)=O,"InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1",AWUCVROLDVIAJX,GSVOUGTGSA,N,Glycerol 3-phosphate,AWUCVROLDVIAJX-GSVOUGTGSA-N
HMDB00127,194.042652674,C6H10O7,O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1",AEMOLEFTQBMNLQ,WAXACMCWSA,N,D-Glucuronic acid,AEMOLEFTQBMNLQ-WAXACMCWSA-N
HMDB00128,117.053826483,C3H7N3O2,NC(=N)NCC(O)=O,"InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)",BPMFZUMJYQTVII,UHFFFAOYSA,N,Guanidoacetic acid,BPMFZUMJYQTVII-UHFFFAOYSA-N
HMDB00130,168.042258744,C8H8O4,OC(=O)CC1=C(O)C=CC(O)=C1,"InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",IGMNYECMUMZDDF,UHFFFAOYSA,N,Homogentisic acid,IGMNYECMUMZDDF-UHFFFAOYSA-N
HMDB00131,92.047344122,C3H8O3,OCC(O)CO,"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2",PEDCQBHIVMGVHV,UHFFFAOYSA,N,Glycerol,PEDCQBHIVMGVHV-UHFFFAOYSA-N
HMDB00132,151.049409807,C5H5N5O,NC1=NC(=O)C2=C(N1)N=CN2,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX,UHFFFAOYSA,N,Guanine,UYTPUPDQBNUYGX-UHFFFAOYSA-N
HMDB00133,283.091668551,C10H13N5O5,NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1",NYHBQMYGNKIUIF,UUOKFMHZSA,N,Guanosine,NYHBQMYGNKIUIF-UUOKFMHZSA-N
HMDB00134,116.010958616,C4H4O4,OC(=O)\C=C\C(O)=O,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+",VZCYOOQTPOCHFL,OWOJBTEDSA,N,Fumaric acid,VZCYOOQTPOCHFL-OWOJBTEDSA-N
HMDB00138,465.309038113,C26H43NO6,[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15?,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1",RFDAIACWWDREDC,MZMBZMQMSA,N,Glycocholic acid,RFDAIACWWDREDC-MZMBZMQMSA-N
HMDB00139,106.02660868,C3H6O4,OC[C@@H](O)C(O)=O,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1",RBNPOMFGQQGHHO,UWTATZPHSA,N,Glyceric acid,RBNPOMFGQQGHHO-UWTATZPHSA-N
HMDB00140,811.690118957,C48H93NO8,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)C(O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45?,46-,47+,48+/m0/s1",POQRWMRXUOPCLD,XNWFPASESA,N,Glucosylceramide,POQRWMRXUOPCLD-XNWFPASESA-N
HMDB00142,46.005479308,CH2O2,OC=O,"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)",BDAGIHXWWSANSR,UHFFFAOYSA,N,Formic acid,BDAGIHXWWSANSR-UHFFFAOYSA-N
HMDB00143,180.063388116,C6H12O6,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1",WQZGKKKJIJFFOK,PHYPRBDBSA,N,D-Galactose,WQZGKKKJIJFFOK-PHYPRBDBSA-N
HMDB00145,270.161979948,C18H22O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",DNXHEGUUPJUMQT,CBZIJGRNSA,N,Estrone,DNXHEGUUPJUMQT-CBZIJGRNSA-N
HMDB00148,147.053157781,C5H9NO4,N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",WHUUTDBJXJRKMK,VKHMYHEASA,N,L-Glutamic acid,WHUUTDBJXJRKMK-VKHMYHEASA-N
HMDB00149,61.052763851,C2H7NO,NCCO,"InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2",HZAXFHJVJLSVMW,UHFFFAOYSA,N,Ethanolamine,HZAXFHJVJLSVMW-UHFFFAOYSA-N
HMDB00150,178.047738052,C6H10O6,OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1",PHOQVHQSTUBQQK,SQOUGZDYSA,N,Gluconolactone,PHOQVHQSTUBQQK-SQOUGZDYSA-N
HMDB00151,272.177630012,C18H24O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",VOXZDWNPVJITMN,ZBRFXRBCSA,N,Estradiol,VOXZDWNPVJITMN-ZBRFXRBCSA-N
HMDB00152,154.026608673,C7H6O4,OC(=O)C1=C(O)C=CC(O)=C1,"InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)",WXTMDXOMEHJXQO,UHFFFAOYSA,N,Gentisic acid,WXTMDXOMEHJXQO-UHFFFAOYSA-N
HMDB00153,288.172544634,C18H24O3,[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1",PROQIPRRNZUXQM,ZXXIGWHRSA,N,Estriol,PROQIPRRNZUXQM-ZXXIGWHRSA-N
HMDB00156,134.021523302,C4H6O5,O[C@@H](CC(O)=O)C(O)=O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",BJEPYKJPYRNKOW,REOHCLBHSA,N,L-Malic acid,BJEPYKJPYRNKOW-REOHCLBHSA-N
HMDB00157,136.03851077,C5H4N4O,OC1=NC=NC2=C1NC=N2,"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",FDGQSTZJBFJUBT,UHFFFAOYSA,N,Hypoxanthine,FDGQSTZJBFJUBT-UHFFFAOYSA-N
HMDB00158,181.073893223,C9H11NO3,N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",OUYCCCASQSFEME,QMMMGPOBSA,N,L-Tyrosine,OUYCCCASQSFEME-QMMMGPOBSA-N
HMDB00159,165.078978601,C9H11NO2,N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1",COLNVLDHVKWLRT,QMMMGPOBSA,N,L-Phenylalanine,COLNVLDHVKWLRT-QMMMGPOBSA-N
HMDB00161,89.047678473,C3H7NO2,C[C@H](N)C(O)=O,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1",QNAYBMKLOCPYGJ,REOHCLBHSA,N,L-Alanine,QNAYBMKLOCPYGJ-REOHCLBHSA-N
HMDB00162,115.063328537,C5H9NO2,OC(=O)[C@@H]1CCCN1,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1",ONIBWKKTOPOVIA,BYPYZUCNSA,N,L-Proline,ONIBWKKTOPOVIA-BYPYZUCNSA-N
HMDB00163,342.116211546,C12H22O11,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10-,11+,12-/m1/s1",GUBGYTABKSRVRQ,DKBJLJRDSA,N,D-Maltose,GUBGYTABKSRVRQ-DKBJLJRDSA-N
HMDB00164,31.042199165,CH5N,CN,"InChI=1S/CH5N/c1-2/h2H2,1H3",BAVYZALUXZFZLV,UHFFFAOYSA,N,Methylamine,BAVYZALUXZFZLV-UHFFFAOYSA-N
HMDB00167,119.058243159,C4H9NO3,C[C@@H](O)[C@H](N)C(O)=O,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1",AYFVYJQAPQTCCC,GBXIJSLDSA,N,L-Threonine,AYFVYJQAPQTCCC-GBXIJSLDSA-N
HMDB00168,132.053492132,C4H8N2O3,N[C@@H](CC(N)=O)C(O)=O,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",DCXYFEDJOCDNAF,REOHCLBHSA,N,L-Asparagine,DCXYFEDJOCDNAF-REOHCLBHSA-N
HMDB00169,180.063388116,C6H12O6,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1",WQZGKKKJIJFFOK,QTVWNMPRSA,N,D-Mannose,WQZGKKKJIJFFOK-QTVWNMPRSA-N
HMDB00172,131.094628665,C6H13NO2,CC[C@H](C)[C@H](N)C(O)=O,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",AGPKZVBTJJNPAG,WHFBIAKZSA,N,L-Isoleucine,AGPKZVBTJJNPAG-WHFBIAKZSA-N
HMDB00174,164.068473494,C6H12O5,C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1",SHZGCJCMOBCMKK,DHVFOXMCSA,N,L-Fucose,SHZGCJCMOBCMKK-DHVFOXMCSA-N
HMDB00175,348.047099924,C10H13N4O8P,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O,"InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",GRSZFWQUAKGDAV,KQYNXXCUSA,N,Inosinic acid,GRSZFWQUAKGDAV-KQYNXXCUSA-N
HMDB00176,116.010958616,C4H4O4,OC(=O)\C=C/C(O)=O,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-",VZCYOOQTPOCHFL,UPHRSURJSA,N,Maleic acid,VZCYOOQTPOCHFL-UPHRSURJSA-N
HMDB00177,155.069476547,C6H9N3O2,N[C@@H](CC1=CN=CN1)C(O)=O,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1",HNDVDQJCIGZPNO,YFKPBYRVSA,N,L-Histidine,HNDVDQJCIGZPNO-YFKPBYRVSA-N
HMDB00181,197.068807845,C9H11NO4,N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1",WTDRDQBEARUVNC,LURJTMIESA,N,L-Dopa,WTDRDQBEARUVNC-LURJTMIESA-N
HMDB00182,146.105527702,C6H14N2O2,NCCCC[C@H](N)C(O)=O,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",KDXKERNSBIXSRK,YFKPBYRVSA,N,L-Lysine,KDXKERNSBIXSRK-YFKPBYRVSA-N
HMDB00186,342.116211546,C12H22O11,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1",GUBGYTABKSRVRQ,XLOQQCSPSA,N,Alpha-Lactose,GUBGYTABKSRVRQ-XLOQQCSPSA-N
HMDB00187,105.042593095,C3H7NO3,N[C@@H](CO)C(O)=O,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1",MTCFGRXMJLQNBG,REOHCLBHSA,N,L-Serine,MTCFGRXMJLQNBG-REOHCLBHSA-N
HMDB00189,507.979760744,C10H15N4O14P3,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2O,"InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",HAEJPQIATWHALX,KQYNXXCUSA,N,Inosine triphosphate,HAEJPQIATWHALX-KQYNXXCUSA-N
HMDB00190,90.031694058,C3H6O3,C[C@H](O)C(O)=O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1",JVTAAEKCZFNVCJ,REOHCLBHSA,N,L-Lactic acid,JVTAAEKCZFNVCJ-REOHCLBHSA-N
HMDB00191,133.037507717,C4H7NO4,N[C@@H](CC(O)=O)C(O)=O,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",CKLJMWTZIZZHCS,REOHCLBHSA,N,L-Aspartic acid,CKLJMWTZIZZHCS-REOHCLBHSA-N
HMDB00192,240.023848262,C6H12N2O4S2,N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1",LEVWYRKDKASIDU,IMJSIDKUSA,N,L-Cystine,LEVWYRKDKASIDU-IMJSIDKUSA-N
HMDB00193,192.02700261,C6H8O7,OC(C(CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)",ODBLHEXUDAPZAU,UHFFFAOYSA,N,Isocitric acid,ODBLHEXUDAPZAU-UHFFFAOYSA-N
HMDB00194,240.122240398,C10H16N4O3,CN1C=NC=C1C[C@H](NC(=O)CCN)C(O)=O,"InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1",MYYIAHXIVFADCU,QMMMGPOBSA,N,Anserine,MYYIAHXIVFADCU-QMMMGPOBSA-N
HMDB00195,268.080769514,C10H12N4O5,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1NC=NC2=O,"InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1",UGQMRVRMYYASKQ,KQYNXXCUSA,N,Inosine,UGQMRVRMYYASKQ-KQYNXXCUSA-N
HMDB00197,175.063328537,C10H9NO2,OC(=O)CC1=CNC2=C1C=CC=C2,"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)",SEOVTRFCIGRIMH,UHFFFAOYSA,N,Indoleacetic acid,SEOVTRFCIGRIMH-UHFFFAOYSA-N
HMDB00201,203.115758037,C9H17NO4,CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3",RDHQFKQIGNGIED,UHFFFAOYSA,N,L-Acetylcarnitine,RDHQFKQIGNGIED-UHFFFAOYSA-N
HMDB00202,118.02660868,C4H6O4,CC(C(O)=O)C(O)=O,"InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)",ZIYVHBGGAOATLY,UHFFFAOYSA,N,Methylmalonic acid,ZIYVHBGGAOATLY-UHFFFAOYSA-N
HMDB00205,164.047344122,C9H8O3,OC(=O)C(=O)CC1=CC=CC=C1,"InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)",BTNMPGBKDVTSJY,UHFFFAOYSA,N,Phenylpyruvic acid,BTNMPGBKDVTSJY-UHFFFAOYSA-N
HMDB00206,188.116092388,C8H16N2O3,CC(=O)NCCCC[C@H](N)C(O)=O,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",DTERQYGMUDWYAZ,ZETCQYMHSA,N,N6-Acetyl-L-lysine,DTERQYGMUDWYAZ-ZETCQYMHSA-N
HMDB00207,282.255880332,C18H34O2,CCCCCCCC\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",ZQPPMHVWECSIRJ,KTKRTIGZSA,N,Oleic acid,ZQPPMHVWECSIRJ-KTKRTIGZSA-N
HMDB00208,146.021523302,C5H6O5,OC(=O)CCC(=O)C(O)=O,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",KPGXRSRHYNQIFN,UHFFFAOYSA,N,Oxoglutaric acid,KPGXRSRHYNQIFN-UHFFFAOYSA-N
HMDB00209,136.0524295,C8H8O2,OC(=O)CC1=CC=CC=C1,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",WLJVXDMOQOGPHL,UHFFFAOYSA,N,Phenylacetic acid,WLJVXDMOQOGPHL-UHFFFAOYSA-N
HMDB00210,219.110672659,C9H17NO5,CC(C)(CO)C(O)C(=O)NCCC(O)=O,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",GHOKWGTUZJEAQD,UHFFFAOYSA,N,Pantothenic acid,GHOKWGTUZJEAQD-UHFFFAOYSA-N
HMDB00211,180.063388116,C6H12O6,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-",CDAISMWEOUEBRE,GPIVLXJGSA,N,Myoinositol,CDAISMWEOUEBRE-GPIVLXJGSA-N
HMDB00212,221.089937217,C8H15NO6,CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1",OVRNDRQMDRJTHS,CBQIKETKSA,N,N-Acetylgalactosamine,OVRNDRQMDRJTHS-CBQIKETKSA-N
HMDB00213,260.029718526,C6H13O9P,O[C@H]1[C@H](O)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m0/s1",INAPMGSXUVUWAF,PTQMNWPWSA,N,Myo-inositol 1-phosphate,INAPMGSXUVUWAF-PTQMNWPWSA-N
HMDB00214,132.089877638,C5H12N2O2,NCCC[C@H](N)C(O)=O,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",AHLPHDHHMVZTML,BYPYZUCNSA,N,Ornithine,AHLPHDHHMVZTML-BYPYZUCNSA-N
HMDB00215,221.089937217,C8H15NO6,CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1",OVRNDRQMDRJTHS,RTRLPJTCSA,N,N-Acetyl-D-glucosamine,OVRNDRQMDRJTHS-RTRLPJTCSA-N
HMDB00216,169.073893223,C8H11NO3,NC[C@H](O)C1=CC(O)=C(O)C=C1,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",SFLSHLFXELFNJZ,QMMMGPOBSA,N,Norepinephrine,SFLSHLFXELFNJZ-QMMMGPOBSA-N
HMDB00217,744.083277073,C21H29N7O17P3,NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",XJLXINKUBYWONI,NNYOXOHSSA,O,NADP,XJLXINKUBYWONI-NNYOXOHSSA-O
HMDB00218,368.02569578,C10H13N2O11P,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O,"InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1",KYOBSHFOBAOFBF,XVFCMESISA,N,Orotidylic acid,KYOBSHFOBAOFBF-XVFCMESISA-N
HMDB00220,256.240230268,C16H32O2,CCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",IPCSVZSSVZVIGE,UHFFFAOYSA,N,Palmitic acid,IPCSVZSSVZVIGE-UHFFFAOYSA-N
HMDB00221,745.091102105,C21H30N7O17P3,NC(=O)C1=CN(C=CC1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](OP(O)(O)=O)[C@H]2O)N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1O,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m0/s1",ACFIXJIJDZMPPO,NCHANQSKSA,N,NADPH,ACFIXJIJDZMPPO-NCHANQSKSA-N
HMDB00222,399.334858933,C23H45NO4,CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1",XOMRRQXKHMYMOC,OAQYLSRUSA,N,L-Palmitoylcarnitine,XOMRRQXKHMYMOC-OAQYLSRUSA-N
HMDB00223,132.005873238,C4H4O5,OC(=O)CC(=O)C(O)=O,"InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)",KHPXUQMNIQBQEV,UHFFFAOYSA,N,Oxalacetic acid,KHPXUQMNIQBQEV-UHFFFAOYSA-N
HMDB00224,141.019094261,C2H8NO4P,NCCOP(O)(O)=O,"InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)",SUHOOTKUPISOBE,UHFFFAOYSA,N,O-Phosphoethanolamine,SUHOOTKUPISOBE-UHFFFAOYSA-N
HMDB00225,160.037173366,C6H8O5,OC(=O)CCCC(=O)C(O)=O,"InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)",FGSBNBBHOZHUBO,UHFFFAOYSA,N,Oxoadipic acid,FGSBNBBHOZHUBO-UHFFFAOYSA-N
HMDB00226,156.017106626,C5H4N2O4,OC(=O)C1=CC(=O)NC(=O)N1,"InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)",PXQPEWDEAKTCGB,UHFFFAOYSA,N,Orotic acid,PXQPEWDEAKTCGB-UHFFFAOYSA-N
HMDB00227,148.073558872,C6H12O4,CC(O)(CCO)CC(O)=O,"InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)",KJTLQQUUPVSXIM,UHFFFAOYSA,N,Mevalonic acid,KJTLQQUUPVSXIM-UHFFFAOYSA-N
HMDB00228,94.041864814,C6H6O,OC1=CC=CC=C1,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",ISWSIDIOOBJBQZ,UHFFFAOYSA,N,Phenol,ISWSIDIOOBJBQZ-UHFFFAOYSA-N
HMDB00229,334.056601978,C11H15N2O8P,NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O,"InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1",DAYLJWODMCOQEW,TURQNECASA,N,Nicotinamide ribotide,DAYLJWODMCOQEW-TURQNECASA-N
HMDB00230,309.105981211,C11H19NO9,CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1",SQVRNKJHWKZAKO,PFQGKNLYSA,N,N-Acetylneuraminic acid,SQVRNKJHWKZAKO-PFQGKNLYSA-N
HMDB00232,167.021857653,C7H5NO4,OC(=O)C1=CC=CN=C1C(O)=O,"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)",GJAWHXHKYYXBSV,UHFFFAOYSA,N,Quinolinic acid,GJAWHXHKYYXBSV-UHFFFAOYSA-N
HMDB00234,288.20893014,C19H28O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",MUMGGOZAMZWBJJ,DYKIIFRCSA,N,Testosterone,MUMGGOZAMZWBJJ-DYKIIFRCSA-N
HMDB00235,265.112306876,C12H17N4OS,CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1",JZRWCGZRTZMZEH,UHFFFAOYSA,N,Thiamine,JZRWCGZRTZMZEH-UHFFFAOYSA-N
HMDB00237,74.036779436,C3H6O2,CCC(O)=O,"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",XBDQKXXYIPTUBI,UHFFFAOYSA,N,Propionic acid,XBDQKXXYIPTUBI-UHFFFAOYSA-N
HMDB00238,237.086189243,C9H11N5O3,C[C@H](O)C(=O)C1=NC2=C(NC1)NC(N)=NC2=O,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1",VPVOXUSPXFPWBN,VKHMYHEASA,N,Sepiapterin,VPVOXUSPXFPWBN-VKHMYHEASA-N
HMDB00239,169.073893223,C8H11NO3,CC1=C(O)C(CO)=C(CO)C=N1,"InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3",LXNHXLLTXMVWPM,UHFFFAOYSA,N,Pyridoxine,LXNHXLLTXMVWPM-UHFFFAOYSA-N
HMDB00240,79.956814556,O3S,[O-]S([O-])=O,"InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2",LSNNMFCWUKXFEE,UHFFFAOYSA,L,Sulfite,LSNNMFCWUKXFEE-UHFFFAOYSA-L
HMDB00241,562.258005596,C34H34N4O4,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",KSFOVUSSGSKXFI,UJJXFSCMSA,N,Protoporphyrin IX,KSFOVUSSGSKXFI-UJJXFSCMSA-N
HMDB00243,88.016043994,C3H4O3,CC(=O)C(O)=O,"InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)",LCTONWCANYUPML,UHFFFAOYSA,N,Pyruvic acid,LCTONWCANYUPML-UHFFFAOYSA-N
HMDB00244,376.138284392,C17H20N4O6,CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",AUNGANRZJHBGPY,SCRDCRAPSA,N,Riboflavin,AUNGANRZJHBGPY-SCRDCRAPSA-N
HMDB00245,226.095356946,C10H14N2O4,NCC1=C(CC(O)=O)C(CCC(O)=O)=CN1,"InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)",QSHWIQZFGQKFMA,UHFFFAOYSA,N,Porphobilinogen,QSHWIQZFGQKFMA-UHFFFAOYSA-N
HMDB00246,72.057514878,C4H8O,C1CCOC1,InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,WYURNTSHIVDZCO,UHFFFAOYSA,N,Tetrahydrofuran,WYURNTSHIVDZCO-UHFFFAOYSA-N
HMDB00247,182.07903818,C6H14O6,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",FBPFZTCFMRRESA,JGWLITMVSA,N,Sorbitol,FBPFZTCFMRRESA-JGWLITMVSA-N
HMDB00248,776.686681525,C15H11I4NO4,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O,"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1",XUIIKFGFIJCVMT,LBPRGKRZSA,N,Thyroxine,XUIIKFGFIJCVMT-LBPRGKRZSA-N
HMDB00250,173.911925378,O7P2,[O-]P([O-])(=O)OP([O-])([O-])=O,"InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4",XPPKVPWEQAFLFU,UHFFFAOYSA,J,Pyrophosphate,XPPKVPWEQAFLFU-UHFFFAOYSA-J
HMDB00251,125.014663785,C2H7NO3S,NCCS(O)(=O)=O,"InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)",XOAAWQZATWQOTB,UHFFFAOYSA,N,Taurine,XOAAWQZATWQOTB-UHFFFAOYSA-N
HMDB00252,299.282429433,C18H37NO2,CCCCCCCCCCCCC\C=C\C(O)C(N)CO,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+",WWUZIQQURGPMPG,CCEZHUSRSA,N,Sphingosine,WWUZIQQURGPMPG-CCEZHUSRSA-N
HMDB00253,316.240230268,C21H32O2,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])C2CC=C2C[C@H](O)CC[C@]12C,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16?,17-,18+,19+,20+,21-/m1/s1",ORNBQBCIOKFOEO,STZXPNGSSA,N,Pregnenolone,ORNBQBCIOKFOEO-STZXPNGSSA-N
HMDB00254,118.02660868,C4H6O4,OC(=O)CCC(O)=O,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",KDYFGRWQOYBRFD,UHFFFAOYSA,N,Succinic acid,KDYFGRWQOYBRFD-UHFFFAOYSA-N
HMDB00256,410.3912516,C30H50,CC(C)=CCC\C(C)=C/CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23-,30-24+",YYGNTYWPHWGJRM,FLHYQJCXSA,N,Squalene,YYGNTYWPHWGJRM-FLHYQJCXSA-N
HMDB00257,111.928885246,O3S2,[O-]S([S-])(=O)=O,"InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2",DHCDFWKWKRSZHF,UHFFFAOYSA,L,Thiosulfate,DHCDFWKWKRSZHF-UHFFFAOYSA-L
HMDB00258,342.116211546,C12H22O11,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",CZMRCDWAGMRECN,UGDNZRGBSA,N,Sucrose,CZMRCDWAGMRECN-UGDNZRGBSA-N
HMDB00259,176.094963016,C10H12N2O,NCCC1=CNC2=CC=C(O)C=C12,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB,UHFFFAOYSA,N,Serotonin,QZAYGJVTTNCVMB-UHFFFAOYSA-N
HMDB00262,126.042927446,C5H6N2O2,CC1=CNC(=O)NC1=O,"InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",RWQNBRDOKXIBIV,UHFFFAOYSA,N,Thymine,RWQNBRDOKXIBIV-UHFFFAOYSA-N
HMDB00263,167.982374404,C3H5O6P,OC(=O)C(=C)OP(O)(O)=O,"InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)",DTBNBXWJWCWCIK,UHFFFAOYSA,N,Phosphoenolpyruvic acid,DTBNBXWJWCWCIK-UHFFFAOYSA-N
HMDB00265,650.790038137,C15H12I3NO4,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1",AUYYCJSJGJYCDS,LBPRGKRZSA,N,Liothyronine,AUYYCJSJGJYCDS-LBPRGKRZSA-N
HMDB00267,129.042593095,C5H7NO3,OC(=O)[C@@H]1CCC(=O)N1,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",ODHCTXKNWHHXJC,VKHMYHEASA,N,Pyroglutamic acid,ODHCTXKNWHHXJC-VKHMYHEASA-N
HMDB00268,350.245709576,C21H34O4,[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])C2CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14?,15+,16-,17+,19-,20+,21+/m1/s1",RHQQHZQUAMFINJ,DSCSGEDNSA,N,Tetrahydrocorticosterone,RHQQHZQUAMFINJ-DSCSGEDNSA-N
HMDB00269,301.298079497,C18H39NO2,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,"InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1",OTKJDMGTUTTYMP,ZWKOTPCHSA,N,Sphinganine,OTKJDMGTUTTYMP-ZWKOTPCHSA-N
HMDB00271,89.047678473,C3H7NO2,CNCC(O)=O,"InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",FSYKKLYZXJSNPZ,UHFFFAOYSA,N,Sarcosine,FSYKKLYZXJSNPZ-UHFFFAOYSA-N
HMDB00272,185.008923505,C3H8NO6P,N[C@@H](COP(O)(O)=O)C(O)=O,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",BZQFBWGGLXLEPQ,REOHCLBHSA,N,Phosphoserine,BZQFBWGGLXLEPQ-REOHCLBHSA-N
HMDB00273,242.090271568,C10H14N2O5,CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1",IQFYYKKMVGJFEH,XLPZGREQSA,N,Thymidine,IQFYYKKMVGJFEH-XLPZGREQSA-N
HMDB00277,379.248759843,C18H38NO5P,CCCCCCCCCCCCC\C=C\C(O)C(N)COP(O)(O)=O,"InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+",DUYSYHSSBDVJSM,CCEZHUSRSA,N,Sphingosine 1-phosphate,DUYSYHSSBDVJSM-CCEZHUSRSA-N
HMDB00279,276.132136382,C11H20N2O6,N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1",ZDGJAHTZVHVLOT,YUMQZZPRSA,N,Saccharopine,ZDGJAHTZVHVLOT-YUMQZZPRSA-N
HMDB00280,389.95181466,C5H13O14P3,O[C@H]1[C@@H](O)[C@@H](O[P@](O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O,"InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1",PQGCEDQWHSBAJP,TXICZTDVSA,N,Phosphoribosyl pyrophosphate,PQGCEDQWHSBAJP-TXICZTDVSA-N
HMDB00283,150.05282343,C5H10O5,OC[C@H]1OC(O)[C@H](O)[C@@H]1O,"InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1",HMFHBZSHGGEWLO,SOOFDHNKSA,N,D-Ribose,HMFHBZSHGGEWLO-SOOFDHNKSA-N
HMDB00285,483.968527356,C9H15N2O15P3,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",PGAVKCOVUIYSFO,XVFCMESISA,N,Uridine triphosphate,PGAVKCOVUIYSFO-XVFCMESISA-N
HMDB00286,566.055020376,C15H24N2O17P2,OC[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)N2C=CC(=O)NC2=O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14?/m0/s1",HSCJRCZFDFQWRP,LPTOLDDLSA,N,Uridine diphosphate glucose,HSCJRCZFDFQWRP-LPTOLDDLSA-N
HMDB00288,324.035866536,C9H13N2O9P,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",DJJCXFVJDGTHFX,XVFCMESISA,N,Uridine 5'-monophosphate,DJJCXFVJDGTHFX-XVFCMESISA-N
HMDB00289,168.028340014,C5H4N4O3,O=C1NC2=C(N1)C(=O)NC(=O)N2,"InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)",LEHOTFFKMJEONL,UHFFFAOYSA,N,Uric acid,LEHOTFFKMJEONL-UHFFFAOYSA-N
HMDB00290,607.081569477,C17H27N3O17P2,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1",LFTYTUAZOPRMMI,CFRASDGPSA,N,Uridine diphosphate-N-acetylglucosamine,LFTYTUAZOPRMMI-CFRASDGPSA-N
HMDB00291,198.05282343,C9H10O5,COC1=C(O)C=CC(=C1)[C@H](O)C(O)=O,"InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m0/s1",CGQCWMIAEPEHNQ,QMMMGPOBSA,N,Vanillylmandelic acid,CGQCWMIAEPEHNQ-QMMMGPOBSA-N
HMDB00292,152.033425392,C5H4N4O2,O=C1NC2=C(NC=N2)C(=O)N1,"InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",LRFVTYWOQMYALW,UHFFFAOYSA,N,Xanthine,LRFVTYWOQMYALW-UHFFFAOYSA-N
HMDB00293,523.974675366,C10H15N4O15P3,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O,"InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1",CAEFEWVYEZABLA,UUOKFMHZSA,N,Xanthosine 5-triphosphate,CAEFEWVYEZABLA-UUOKFMHZSA-N
HMDB00294,60.03236276,CH4N2O,NC(N)=O,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",XSQUKJJJFZCRTK,UHFFFAOYSA,N,Urea,XSQUKJJJFZCRTK-UHFFFAOYSA-N
HMDB00295,404.002196946,C9H14N2O12P2,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",XCCTYIAWTASOJW,XVFCMESISA,N,Uridine 5'-diphosphate,XCCTYIAWTASOJW-XVFCMESISA-N
HMDB00296,244.069536126,C9H12N2O6,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",DRTQHJPVMGBUCF,XVFCMESISA,N,Uridine,DRTQHJPVMGBUCF-XVFCMESISA-N
HMDB00299,284.075684136,C10H12N4O6,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(O)N=C2O,"InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1",UBORTCNDUKBEOP,UUOKFMHZSA,N,Xanthosine,UBORTCNDUKBEOP-UUOKFMHZSA-N
HMDB00300,112.027277382,C4H4N2O2,O=C1NC=CC(=O)N1,"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",ISAKRJDGNUQOIC,UHFFFAOYSA,N,Uracil,ISAKRJDGNUQOIC-UHFFFAOYSA-N
HMDB00301,138.042927446,C6H6N2O2,OC(=O)\C=C\C1=CNC=N1,"InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+",LOIYMIARKYCTBW,OWOJBTEDSA,N,Urocanic acid,LOIYMIARKYCTBW-OWOJBTEDSA-N
HMDB00302,566.055020376,C15H24N2O17P2,OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1",HSCJRCZFDFQWRP,ABVWGUQPSA,N,Uridine diphosphategalactose,HSCJRCZFDFQWRP-ABVWGUQPSA-N
HMDB00303,160.100048394,C10H12N2,NCCC1=CNC2=CC=CC=C12,"InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2",APJYDQYYACXCRM,UHFFFAOYSA,N,Tryptamine,APJYDQYYACXCRM-UHFFFAOYSA-N
HMDB00304,607.081569477,C17H27N3O17P2,CC(=O)NC1C(O)C(O)C(CO)OC1OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1O)N1C=CC(=O)NC1=O,"InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)",LFTYTUAZOPRMMI,UHFFFAOYSA,N,Uridine diphosphate-N-acetylgalactosamine,LFTYTUAZOPRMMI-UHFFFAOYSA-N
HMDB00305,286.229665582,C20H30O,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",FPIPGXGPPPQFEQ,OVSJKPMPSA,N,Vitamin A,FPIPGXGPPPQFEQ-OVSJKPMPSA-N
HMDB00306,137.084063979,C8H11NO,NCCC1=CC=C(O)C=C1,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",DZGWFCGJZKJUFP,UHFFFAOYSA,N,Tyramine,DZGWFCGJZKJUFP-UHFFFAOYSA-N
HMDB00307,424.282489012,C24H40O6,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)C[C@@H](O)[C@]12C,"InChI=1S/C24H40O6/c1-12(4-7-21(29)30)15-5-6-16-22-17(11-20(28)24(15,16)3)23(2)13(9-18(22)26)8-14(25)10-19(23)27/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14+,15-,16+,17+,18-,19-,20+,22+,23+,24-/m1/s1",UYVVLXVBEQAATF,WAIVXGPNSA,N,1b-Hydroxycholic acid,UYVVLXVBEQAATF-WAIVXGPNSA-N
HMDB00308,374.282095082,C24H38O3,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1",HIAJCGFYHIANNA,QIZZZRFXSA,N,3b-Hydroxy-5-cholenoic acid,HIAJCGFYHIANNA-QIZZZRFXSA-N
HMDB00309,304.203844762,C19H28O3,[H][C@@]12C[C@H](O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C,"InChI=1S/C19H28O3/c1-18-6-5-15-14(16(18)8-13(21)10-18)4-3-11-7-12(20)9-17(22)19(11,15)2/h9,11,13-16,20-21H,3-8,10H2,1-2H3/t11?,13-,14+,15-,16-,18+,19-/m0/s1",CUPQSMZELNNSIR,AATVIRSZSA,N,"3a,16b-Dihydroxyandrostenone",CUPQSMZELNNSIR-AATVIRSZSA-N
HMDB00310,116.047344122,C5H8O3,COC(=O)CC(C)=O,"InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3",WRQNANDWMGAFTP,UHFFFAOYSA,N,Methylacetoacetic acid,WRQNANDWMGAFTP-UHFFFAOYSA-N
HMDB00311,424.282489012,C24H40O6,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])[C@@H](O)[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O6/c1-12(4-7-20(28)29)13-5-6-14-21-15(11-19(27)24(13,14)3)23(2)9-8-17(25)22(30)16(23)10-18(21)26/h12-19,21-22,25-27,30H,4-11H2,1-3H3,(H,28,29)/t12-,13-,14+,15+,16-,17+,18-,19+,21+,22-,23-,24-/m1/s1",WGGZRKVUOFMQHM,VCELIZGUSA,N,"3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid",WGGZRKVUOFMQHM-VCELIZGUSA-N
HMDB00312,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20-,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ,KRHHAYMPSA,N,"3a,7a,12b-Trihydroxy-5b-cholanoic acid",BHQCQFFYRZLCQQ-KRHHAYMPSA-N
HMDB00313,286.15689457,C18H22O3,[H][C@@]12C[C@H](O)C(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1",WPOCIZJTELRQMF,LFRCEIEQSA,N,16b-Hydroxyestrone,WPOCIZJTELRQMF-LFRCEIEQSA-N
HMDB00314,366.240624198,C21H34O5,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18+,19-,20-,21-/m0/s1",AODPIQQILQLWGS,VSJLKEFSSA,N,3b-Allotetrahydrocortisol,AODPIQQILQLWGS-VSJLKEFSSA-N
HMDB00315,332.23514489,C21H32O3,[H][C@@]12C[C@@H](O)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C21H32O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-19,23-24H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21-/m0/s1",ZAKJZPQDUPCXSD,YRWKUUEZSA,N,16-a-Hydroxypregnenolone,ZAKJZPQDUPCXSD-YRWKUUEZSA-N
HMDB00316,424.282489012,C24H40O6,[H][C@@]12C[C@H](O)[C@@H](O)C[C@]1(C)C1C[C@H](O)[C@]3(C)C(CCC3C1[C@H](O)C2)[C@@H](C)CCC(O)=O,"InChI=1S/C24H40O6/c1-12(4-7-21(29)30)14-5-6-15-22-16(10-20(28)24(14,15)3)23(2)11-19(27)17(25)8-13(23)9-18(22)26/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13-,14?,15?,16?,17-,18+,19-,20-,22?,23-,24+/m0/s1",IMMADCCLTPCOKH,DLPNMVJGSA,N,"2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid",IMMADCCLTPCOKH-DLPNMVJGSA-N
HMDB00317,132.07864425,C6H12O3,CC[C@@H](C)[C@@H](O)C(O)=O,"InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1",RILPIWOPNGRASR,RFZPGFLSSA,N,2-Hydroxy-3-methylpentanoic acid,RILPIWOPNGRASR-RFZPGFLSSA-N
HMDB00318,170.057908808,C8H10O4,OCC(O)C1=CC(O)=C(O)C=C1,"InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2",MTVWFVDWRVYDOR,UHFFFAOYSA,N,"3,4-Dihydroxyphenylglycol",MTVWFVDWRVYDOR-UHFFFAOYSA-N
HMDB00319,362.20932407,C21H30O5,[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1",HFSXHZZDNDGLQN,ZVIOFETBSA,N,18-Hydroxycorticosterone,HFSXHZZDNDGLQN-ZVIOFETBSA-N
HMDB00320,408.28757439,C24H40O5,[H][C@@]12CCC([C@@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])[C@@H](O)[C@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-20(27)28)14-5-6-15-21-16(8-10-23(14,15)2)24(3)11-9-18(25)22(29)17(24)12-19(21)26/h13-19,21-22,25-26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14?,15-,16-,17+,18+,19+,21-,22+,23+,24+/m0/s1",AIHWGPJJINPTRP,VSASKLEVSA,N,"3a,4b,7a-Trihydroxy-5b-cholanoic acid",AIHWGPJJINPTRP-VSASKLEVSA-N
HMDB00321,162.05282343,C6H10O5,OC(CCCC(O)=O)C(O)=O,"InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)",OTTXIFWBPRRYOG,UHFFFAOYSA,N,2-Hydroxyadipic acid,OTTXIFWBPRRYOG-UHFFFAOYSA-N
HMDB00322,304.203844762,C19H28O3,C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC(=O)[C@@H]2O,"InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13?,14?,15?,17-,18-,19-/m0/s1",AKRBLZKRYPEVIK,IACDPKRHSA,N,16-Oxoandrostenediol,AKRBLZKRYPEVIK-IACDPKRHSA-N
HMDB00323,114.079312952,C5H10N2O,NC1CCCNC1=O,"InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)",YCCMTCQQDULIFE,UHFFFAOYSA,N,3-Amino-2-piperidone,YCCMTCQQDULIFE-UHFFFAOYSA-N
HMDB00324,304.203844762,C19H28O3,[H][C@@]12C[C@@H](O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C,"InChI=1S/C19H28O3/c1-18-6-5-15-14(16(18)8-13(21)10-18)4-3-11-7-12(20)9-17(22)19(11,15)2/h9,11,13-16,20-21H,3-8,10H2,1-2H3/t11?,13-,14-,15+,16+,18-,19+/m1/s1",CUPQSMZELNNSIR,LZRZFMTJSA,N,"3a,16a-Dihydroxyandrostenone",CUPQSMZELNNSIR-LZRZFMTJSA-N
HMDB00325,190.084123558,C8H14O5,OC(CCCCC(O)=O)CC(O)=O,"InChI=1S/C8H14O5/c9-6(5-8(12)13)3-1-2-4-7(10)11/h6,9H,1-5H2,(H,10,11)(H,12,13)",ARJZZFJXSNJKGR,UHFFFAOYSA,N,3-Hydroxysuberic acid,ARJZZFJXSNJKGR-UHFFFAOYSA-N
HMDB00326,408.28757439,C24H40O5,C[C@H](CCC(O)=O)C1CCC2C3CCC4C[C@H](O)C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@]12C,"InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15+,16?,17?,18?,19?,20-,21+,23+,24-/m1/s1",DAKYVYUAVGJDRK,LFMRMFNLSA,N,"1b,3a,12a-Trihydroxy-5b-cholanoic acid",DAKYVYUAVGJDRK-LFMRMFNLSA-N
HMDB00328,390.277009704,C24H38O4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC(=O)[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1",CVNYHSDFZXHMMJ,VPUMZWJWSA,N,12-Ketodeoxycholic acid,CVNYHSDFZXHMMJ-VPUMZWJWSA-N
HMDB00329,164.083729628,C10H12O2,CCC(C(O)=O)C1=CC=CC=C1,"InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)",OFJWFSNDPCAWDK,UHFFFAOYSA,N,2-Phenylbutyric acid,OFJWFSNDPCAWDK-UHFFFAOYSA-N
HMDB00330,408.28757439,C24H40O5,C[C@@H](CCC(O)=O)C1CCC2C3CCC4[C@@H](O)[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C,"InChI=1S/C24H40O5/c1-13(4-9-21(27)28)15-7-8-16-14-5-6-17-22(29)19(25)10-11-23(17,2)18(14)12-20(26)24(15,16)3/h13-20,22,25-26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14?,15?,16?,17?,18?,19+,20-,22+,23-,24+/m0/s1",FRYVQXCDSBCDAU,IQXKVUNVSA,N,"3a,4b,12a-Trihydroxy-5b-cholanoic acid",FRYVQXCDSBCDAU-IQXKVUNVSA-N
HMDB00331,465.309038113,C26H43NO6,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC(O)=O,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20+,21+,24+,25+,26-/m1/s1",RFDAIACWWDREDC,IFZPJRIXSA,N,"3a,7b,12a-Trihydroxyoxocholanyl-Glycine",RFDAIACWWDREDC-IFZPJRIXSA-N
HMDB00332,376.188588628,C21H28O6,[H][C@@]12CC[C@@](O)(C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O,"InChI=1S/C21H28O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,11,14-16,18,22,25,27H,2-7,9-10H2,1H3/t14-,15-,16-,18+,19-,20+,21+/m0/s1",XUQWWIFROYJHCU,FJNAKSJRSA,N,18-Oxocortisol,XUQWWIFROYJHCU-FJNAKSJRSA-N
HMDB00333,182.057908808,C9H10O4,COC1=CC=C(CC(O)=O)C=C1O,"InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)",BWXLCOBSWMQCGP,UHFFFAOYSA,N,Isohomovanillic acid,BWXLCOBSWMQCGP-UHFFFAOYSA-N
HMDB00335,286.15689457,C18H22O3,[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1",WPOCIZJTELRQMF,QFXBJFAPSA,N,16a-Hydroxyestrone,WPOCIZJTELRQMF-QFXBJFAPSA-N
HMDB00336,104.047344122,C4H8O3,C[C@H](CO)C(O)=O,"InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1",DBXBTMSZEOQQDU,GSVOUGTGSA,N,(R)-3-Hydroxyisobutyric acid,DBXBTMSZEOQQDU-GSVOUGTGSA-N
HMDB00337,120.042258744,C4H8O4,OCC(O)CC(O)=O,"InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8)",DZAIOXUZHHTJKN,UHFFFAOYSA,N,"(S)-3,4-Dihydroxybutyric acid",DZAIOXUZHHTJKN-UHFFFAOYSA-N
HMDB00338,288.172544634,C18H24O3,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3,"InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1",DILDHNKDVHLEQB,XSSYPUMDSA,N,2-Hydroxyestradiol,DILDHNKDVHLEQB-XSSYPUMDSA-N
HMDB00339,159.089543287,C7H13NO3,CCC(C)C(=O)NCC(O)=O,"InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10)",HOACIBQKYRHBOW,UHFFFAOYSA,N,2-Methylbutyrylglycine,HOACIBQKYRHBOW-UHFFFAOYSA-N
HMDB00340,424.282489012,C24H40O6,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12CO,"InChI=1S/C24H40O6/c1-13(3-6-21(29)30)16-4-5-17-22-18(11-20(28)23(16,17)2)24(12-25)8-7-15(26)9-14(24)10-19(22)27/h13-20,22,25-28H,3-12H2,1-2H3,(H,29,30)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23-,24-/m1/s1",RFSKRKUKTCLIAV,OWXKUJNZSA,N,"3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid",RFSKRKUKTCLIAV-OWXKUJNZSA-N
HMDB00341,172.073558872,C8H12O4,OC(=O)CCCC\C=C\C(O)=O,"InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h3,5H,1-2,4,6H2,(H,9,10)(H,11,12)/b5-3+",BNTPVRGYUHJFHN,HWKANZROSA,N,2-Octenedioic acid,BNTPVRGYUHJFHN-HWKANZROSA-N
HMDB00343,286.15689457,C18H22O3,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3,"InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1",SWINWPBPEKHUOD,JPVZDGGYSA,N,2-Hydroxyestrone,SWINWPBPEKHUOD-JPVZDGGYSA-N
HMDB00344,316.203844762,C20H28O3,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C(OC)=C3,"InChI=1S/C20H28O3/c1-20-9-8-13-14(16(20)6-7-19(20)21)5-4-12-10-17(22-2)18(23-3)11-15(12)13/h10-11,13-14,16,19,21H,4-9H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1",AVCFXYYRWRZONV,BKRJIHRRSA,N,2-Methoxyestradiol-3-methylether,AVCFXYYRWRZONV-BKRJIHRRSA-N
HMDB00345,162.05282343,C6H10O5,OC(CCC(O)=O)CC(O)=O,"InChI=1S/C6H10O5/c7-4(3-6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)",YVOMYDHIQVMMTA,UHFFFAOYSA,N,3-Hydroxyadipic acid,YVOMYDHIQVMMTA-UHFFFAOYSA-N
HMDB00346,180.063388116,C6H12O6,OC[C@@H](O)[C@@H](O)C[C@H](O)C(O)=O,"InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1",YGMNHEPVTNXLLS,VAYJURFESA,N,3-Deoxyarabinohexonic acid,YGMNHEPVTNXLLS-VAYJURFESA-N
HMDB00347,288.172544634,C18H24O3,[H][C@@]12C[C@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1",PROQIPRRNZUXQM,ZMSHIADSSA,N,16b-Hydroxyestradiol,PROQIPRRNZUXQM-ZMSHIADSSA-N
HMDB00348,392.292659768,C24H40O4,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17+,18-,19+,20+,21+,23+,24-/m1/s1",KXGVEGMKQFWNSR,UPSXFCICSA,N,"3b,12a-Dihydroxy-5a-cholanoic acid",KXGVEGMKQFWNSR-UPSXFCICSA-N
HMDB00349,118.02660868,C4H6O4,O[C@@H]1COC(=O)[C@@H]1O,"InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s1",SGMJBNSHAZVGMC,PWNYCUMCSA,N,"Erythrono-1,4-lactone",SGMJBNSHAZVGMC-PWNYCUMCSA-N
HMDB00350,218.115423686,C10H18O5,OC(CCCCCCC(O)=O)CC(O)=O,"InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)",OQYZCCKCJQWHIE,UHFFFAOYSA,N,3-Hydroxysebacic acid,OQYZCCKCJQWHIE-UHFFFAOYSA-N
HMDB00351,118.062994186,C5H10O3,C[C@@H](O)[C@H](C)C(O)=O,"InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4+/m0/s1",VEXDRERIMPLZLU,IUYQGCFVSA,N,"3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid",VEXDRERIMPLZLU-IUYQGCFVSA-N
HMDB00352,304.203844762,C19H28O3,[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1",QQIVKFZWLZJXJT,DNKQKWOHSA,N,16a-Hydroxydehydroisoandrosterone,QQIVKFZWLZJXJT-DNKQKWOHSA-N
HMDB00353,348.230059512,C21H32O4,[H][C@@]12[C@H](O)C[C@](O)(CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C,"InChI=1S/C21H32O4/c1-4-21(25)11-16(23)18-14-6-5-12-9-13(22)10-17(24)20(12,3)15(14)7-8-19(18,21)2/h10,12,14-16,18,22-23,25H,4-9,11H2,1-3H3/t12?,14-,15+,16-,18-,19+,20+,21-/m1/s1",YXMCPINQJVUPGV,HETPMVKVSA,N,"3b,15b,17a-Trihydroxy-pregnenone",YXMCPINQJVUPGV-HETPMVKVSA-N
HMDB00354,118.062994186,C5H10O3,CC(O)C(C)C(O)=O,"InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)",VEXDRERIMPLZLU,UHFFFAOYSA,N,2-Methyl-3-hydroxybutyric acid,VEXDRERIMPLZLU-UHFFFAOYSA-N
HMDB00355,162.05282343,C6H10O5,CC(O)(CC(O)=O)CC(O)=O,"InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)",NPOAOTPXWNWTSH,UHFFFAOYSA,N,3-Hydroxymethylglutaric acid,NPOAOTPXWNWTSH-UHFFFAOYSA-N
HMDB00356,288.172544634,C18H24O3,C[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1C[C@@H](O)[C@H]2O,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13?,14?,15?,16-,17-,18+/m1/s1",PROQIPRRNZUXQM,MAHASAQBSA,N,17-Epiestriol,PROQIPRRNZUXQM-MAHASAQBSA-N
HMDB00357,104.047344122,C4H8O3,CC(O)CC(O)=O,"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)",WHBMMWSBFZVSSR,UHFFFAOYSA,N,3-Hydroxybutyric acid,WHBMMWSBFZVSSR-UHFFFAOYSA-N
HMDB00359,434.33960996,C27H46O4,[H][C@@]1(CC[C@@]2([H])C3[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C(O)=O,"InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24?,26+,27-/m1/s1",ITZYGDKGRKKBSN,KLYSAGIUSA,N,"3a,7a-Dihydroxycoprostanic acid",ITZYGDKGRKKBSN-KLYSAGIUSA-N
HMDB00360,120.042258744,C4H8O4,OCCC(O)C(O)=O,"InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)",UFYGCFHQAXXBCF,UHFFFAOYSA,N,"2,4-Dihydroxybutanoic acid",UFYGCFHQAXXBCF-UHFFFAOYSA-N
HMDB00361,392.292659768,C24H40O4,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1",RUDATBOHQWOJDD,JGFDLHJZSA,N,"3b,7a-Dihydroxy-5b-cholanoic acid",RUDATBOHQWOJDD-JGFDLHJZSA-N
HMDB00362,185.99293909,C3H7O7P,OCC(OP(O)(O)=O)C(O)=O,"InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)",GXIURPTVHJPJLF,UHFFFAOYSA,N,2-Phosphoglyceric acid,GXIURPTVHJPJLF-UHFFFAOYSA-N
HMDB00363,332.23514489,C21H32O3,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1",JERGUCIJOXJXHF,TVWVXWENSA,N,17a-Hydroxypregnenolone,JERGUCIJOXJXHF-TVWVXWENSA-N
HMDB00364,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)[C@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22-,23-,24-/m1/s1",DKPMWHFRUGMUKF,NTPBNISXSA,N,"3a,6a,7b-Trihydroxy-5b-cholanoic acid",DKPMWHFRUGMUKF-NTPBNISXSA-N
HMDB00365,290.224580204,C19H30O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@H](O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12?,13-,14-,15-,16-,18-,19-/m0/s1",QGXBDMJGAMFCBF,QRIARFFBSA,N,Epiandrosterone,QGXBDMJGAMFCBF-QRIARFFBSA-N
HMDB00366,150.05282343,C5H10O5,OC[C@@H](O)[C@@H](O)CC(O)=O,"InChI=1S/C5H10O5/c6-2-4(8)3(7)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m0/s1",VBUWJOHKCBQXNU,IUYQGCFVSA,N,2-Deoxyribonic acid,VBUWJOHKCBQXNU-IUYQGCFVSA-N
HMDB00367,424.282489012,C24H40O6,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1",COCMFMBNEAMQMA,KREOYVNCSA,N,"3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid",COCMFMBNEAMQMA-KREOYVNCSA-N
HMDB00368,162.05282343,C6H10O5,O[C@H](CCCC(O)=O)C(O)=O,"InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1",OTTXIFWBPRRYOG,SCSAIBSYSA,N,2(R)-Hydroxyadipic acid,OTTXIFWBPRRYOG-SCSAIBSYSA-N
HMDB00369,292.240230268,C19H32O2,C[C@]12CCC3C(CCC4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2O,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,17-,18-,19-/m0/s1",CBMYJHIOYJEBSB,WTVXNACZSA,N,"3b,17b-Dihydroxyetiocholane",CBMYJHIOYJEBSB-WTVXNACZSA-N
HMDB00370,169.014008883,C3H8NO5P,NC(CP(O)(O)=O)C(O)=O,"InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)",LBTABPSJONFLPO,UHFFFAOYSA,N,2-Amino-3-phosphonopropionic acid,LBTABPSJONFLPO-UHFFFAOYSA-N
HMDB00371,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(O)C[C@@]1([H])[C@@]2([H])CCC2CC(O)CC(O)[C@]12C,"InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15?,16+,17-,18+,19+,20?,21?,23+,24-/m1/s1",DAKYVYUAVGJDRK,JZBKOBKOSA,N,"1,3,12-Trihydroxycholan-24-oic acid",DAKYVYUAVGJDRK-JZBKOBKOSA-N
HMDB00372,284.141244506,C18H20O3,C[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1CC(=O)C2=O,"InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13?,14?,15?,18-/m0/s1",ANPHVANSJXDRTP,VLVBFLKRSA,N,16-Oxoestrone,ANPHVANSJXDRTP-VLVBFLKRSA-N
HMDB00374,330.219494826,C21H30O3,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",DBPWSSGDRRHUNT,CEGNMAFCSA,N,17-Hydroxyprogesterone,DBPWSSGDRRHUNT-CEGNMAFCSA-N
HMDB00375,166.062994186,C9H10O3,OC(=O)CCC1=CC=CC(O)=C1,"InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)",QVWAEZJXDYOKEH,UHFFFAOYSA,N,3-(3-Hydroxyphenyl)propanoic acid,QVWAEZJXDYOKEH-UHFFFAOYSA-N
HMDB00376,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ,OJGXVJBCSA,N,"3b,7a,12a-Trihydroxy-5a-Cholanoic acid",BHQCQFFYRZLCQQ-OJGXVJBCSA-N
HMDB00377,424.282489012,C24H40O6,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18-,20+,21+,22-,23-,24-/m1/s1",COCMFMBNEAMQMA,XEGXWRQYSA,N,"3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid",COCMFMBNEAMQMA-XEGXWRQYSA-N
HMDB00378,245.162708229,C12H23NO4,CCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C12H23NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3",IHCPDBBYTYJYIL,UHFFFAOYSA,N,2-Methylbutyroylcarnitine,IHCPDBBYTYJYIL-UHFFFAOYSA-N
HMDB00379,206.042652674,C7H10O7,CC(C(O)=O)C(O)(CC(O)=O)C(O)=O,"InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)",YNOXCRMFGMSKIJ,UHFFFAOYSA,N,2-Methylcitric acid,YNOXCRMFGMSKIJ-UHFFFAOYSA-N
HMDB00380,302.188194698,C19H26O3,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C(O)=C3,"InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1",MMKYSUOJWFKECQ,SSTWWWIQSA,N,2-Hydroxyestradiol-3-methyl ether,MMKYSUOJWFKECQ-SSTWWWIQSA-N
HMDB00381,376.297745146,C24H40O3,C[C@@H](CCC(O)=O)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17+,18?,19?,20?,21?,23-,24+/m0/s1",SMEROWZSTRWXGI,IBUNROKMSA,N,Allolithocholic acid,SMEROWZSTRWXGI-IBUNROKMSA-N
HMDB00382,348.230059512,C21H32O4,[H][C@@]12CC[C@](O)(CCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C,"InChI=1S/C21H32O4/c1-19-7-5-17-15(16(19)6-8-21(19,25)9-10-22)4-3-13-11-14(23)12-18(24)20(13,17)2/h12-13,15-17,22-23,25H,3-11H2,1-2H3/t13?,15-,16-,17-,19-,20-,21-/m0/s1",RJKJQHWLCLYSHD,DGFNXGTDSA,N,"3b,17a,21-Trihydroxypregnenone",RJKJQHWLCLYSHD-DGFNXGTDSA-N
HMDB00383,292.240230268,C19H32O2,C[C@]12CCC3C(CCC4C[C@H](O)CC[C@]34C)C1CC[C@H]2O,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,17-,18+,19+/m1/s1",CBMYJHIOYJEBSB,CRQQDORFSA,N,"3a,17a-Dihydroxy-5b-androstane",CBMYJHIOYJEBSB-CRQQDORFSA-N
HMDB00384,392.292659768,C24H40O4,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",RUDATBOHQWOJDD,BYRKYSOESA,N,"3a,7a-Dihydroxycholanoic acid",RUDATBOHQWOJDD-BYRKYSOESA-N
HMDB00385,386.245709576,C24H34O4,C[C@H](CCC(O)=O)C1CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C,"InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/t14-,17?,18?,19?,20?,21+,23+,24-/m1/s1",DJVAMCYXFUWMLS,RVOJYKBWSA,N,12a-Hydroxy-3-oxocholadienic acid,DJVAMCYXFUWMLS-RVOJYKBWSA-N
HMDB00386,384.160659318,C19H28O6S,[H][C@@]12C[C@H](C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C)OS(O)(=O)=O,"InChI=1S/C19H28O6S/c1-18-6-5-15-14(16(18)9-13(10-18)25-26(22,23)24)4-3-11-7-12(20)8-17(21)19(11,15)2/h8,11,13-16,20H,3-7,9-10H2,1-2H3,(H,22,23,24)/t11?,13-,14-,15+,16+,18-,19+/m1/s1",AWUIWQRSWWITFQ,LZRZFMTJSA,N,"3b,16a-Dihydroxyandrostenone sulfate",AWUIWQRSWWITFQ-LZRZFMTJSA-N
HMDB00387,216.172544634,C12H24O3,CCCCCCCCCC(O)CC(O)=O,"InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)",MUCMKTPAZLSKTL,UHFFFAOYSA,N,3-Hydroxydodecanoic acid,MUCMKTPAZLSKTL-UHFFFAOYSA-N
HMDB00388,304.203844762,C19H28O3,[H][C@@]12CC(O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C,"InChI=1S/C19H28O3/c1-18-6-5-15-14(16(18)8-13(21)10-18)4-3-11-7-12(20)9-17(22)19(11,15)2/h9,11,13-16,20-21H,3-8,10H2,1-2H3/t11?,13?,14-,15+,16+,18-,19+/m1/s1",CUPQSMZELNNSIR,FBYGVVJCSA,N,"3a,16-Dihydroxyandrostenone",CUPQSMZELNNSIR-FBYGVVJCSA-N
HMDB00389,221.091274621,C9H11N5O2,CCC(=O)C1=NC2=C(NC1)NC(N)=NC2=O,"InChI=1S/C9H11N5O2/c1-2-5(15)4-3-11-7-6(12-4)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)",MXQYRFPIGKAGPW,UHFFFAOYSA,N,2'-Deoxysepiapterin,MXQYRFPIGKAGPW-UHFFFAOYSA-N
HMDB00390,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20-,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ,BJOVICNYSA,N,"3a,7b,12b-Trihydroxy-5b-cholanoic acid",BHQCQFFYRZLCQQ-BJOVICNYSA-N
HMDB00391,406.271924326,C24H38O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])C(=O)C[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,20+,22+,23+,24-/m1/s1",RHCPKKNRWFXMAT,RRWYKFPJSA,N,7-Ketodeoxycholic acid,RHCPKKNRWFXMAT-RRWYKFPJSA-N
HMDB00392,142.099379692,C8H14O2,CCCCC\C=C/C(O)=O,"InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6-",CWMPPVPFLSZGCY,SREVYHEPSA,N,2-Octenoic acid,CWMPPVPFLSZGCY-SREVYHEPSA-N
HMDB00393,144.042258744,C6H8O4,OC(=O)C\C=C\CC(O)=O,"InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+",YHGNXQAFNHCBTK,OWOJBTEDSA,N,3-Hexenedioic acid,YHGNXQAFNHCBTK-OWOJBTEDSA-N
HMDB00394,274.178023942,C14H26O5,OC(CCCCCCCCCCC(O)=O)CC(O)=O,"InChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19)",CEDZIURHISELSQ,UHFFFAOYSA,N,3-Hydroxytetradecanedioic acid,CEDZIURHISELSQ-UHFFFAOYSA-N
HMDB00395,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ,NSYKHXCCSA,N,"3b,7b,12a-Trihydroxy-5b-cholanoic acid",BHQCQFFYRZLCQQ-NSYKHXCCSA-N
HMDB00396,118.062994186,C5H10O3,CCC(CO)C(O)=O,"InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",ZMZQVAUJTDKQGE,UHFFFAOYSA,N,2-Ethylhydracrylic acid,ZMZQVAUJTDKQGE-UHFFFAOYSA-N
HMDB00397,154.026608673,C7H6O4,OC(=O)C1=C(O)C(O)=CC=C1,"InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)",GLDQAMYCGOIJDV,UHFFFAOYSA,N,2-Pyrocatechuic acid,GLDQAMYCGOIJDV-UHFFFAOYSA-N
HMDB00398,160.037173366,C6H8O5,OC(=O)CCC(=O)CC(O)=O,"InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)",RTGHRDFWYQHVFW,UHFFFAOYSA,N,3-Oxoadipic acid,RTGHRDFWYQHVFW-UHFFFAOYSA-N
HMDB00399,424.282489012,C24H40O6,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1",COCMFMBNEAMQMA,VGKGADPCSA,N,"3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid",COCMFMBNEAMQMA-VGKGADPCSA-N
HMDB00400,406.271924326,C24H38O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(=O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1",MIHNUBCEFJLAGN,DMMBONCOSA,N,"3,7-Dihydroxy-12-oxocholanoic acid",MIHNUBCEFJLAGN-DMMBONCOSA-N
HMDB00401,167.044324429,C5H5N5O2,NC1=NC(O)=NC2=C1NC(O)=N2,"InChI=1S/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12)",XFBOJHLYDJZYSP,UHFFFAOYSA,N,"2,8-Dihydroxyadenine",XFBOJHLYDJZYSP-UHFFFAOYSA-N
HMDB00402,176.068473494,C7H12O5,CC(C)[C@@](O)(CC(O)=O)C(O)=O,"InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1",BITYXLXUCSKTJS,ZETCQYMHSA,N,2-Isopropylmalic acid,BITYXLXUCSKTJS-ZETCQYMHSA-N
HMDB00403,151.049409807,C5H5N5O,NC1=NC(O)=NC2=C1NC=N2,"InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)",DRAVOWXCEBXPTN,UHFFFAOYSA,N,2-Hydroxyadenine,DRAVOWXCEBXPTN-UHFFFAOYSA-N
HMDB00404,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)[C@@H](O)C[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)15-5-6-16-22-17(8-9-23(15,16)2)24(3)12-20(27)18(25)10-14(24)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18+,19-,20+,22+,23-,24+/m1/s1",NVTDAUYTNRUBQY,QCICEKRZSA,N,"2b,3a,7a-Trihydroxy-5b-cholanoic acid",NVTDAUYTNRUBQY-QCICEKRZSA-N
HMDB00405,302.188194698,C19H26O3,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3,"InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1",CQOQDQWUFQDJMK,SSTWWWIQSA,N,2-Methoxyestradiol,CQOQDQWUFQDJMK-SSTWWWIQSA-N
HMDB00406,286.15689457,C18H22O3,[H][C@@]12CC(=O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1",KJDGFQJCHFJTRH,YONAWACDSA,N,16-Ketoestradiol,KJDGFQJCHFJTRH-YONAWACDSA-N
HMDB00407,118.062994186,C5H10O3,CC(C)C(O)C(O)=O,"InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)",NGEWQZIDQIYUNV,UHFFFAOYSA,N,2-Hydroxy-3-methylbutyric acid,NGEWQZIDQIYUNV-UHFFFAOYSA-N
HMDB00408,130.062994186,C6H10O3,CCC(=O)C(C)C(O)=O,"InChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h4H,3H2,1-2H3,(H,8,9)",QTLYPQZWYOHATR,UHFFFAOYSA,N,2-Methyl-3-ketovaleric acid,QTLYPQZWYOHATR-UHFFFAOYSA-N
HMDB00409,132.07864425,C6H12O3,C[C@@H](O)CCCC(O)=O,"InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1",YDCRNMJQROAWFT,RXMQYKEDSA,N,(5R)-5-Hydroxyhexanoic acid,YDCRNMJQROAWFT-RXMQYKEDSA-N
HMDB00410,118.062994186,C5H10O3,C[C@@H](O)[C@@H](C)C(O)=O,"InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4-/m1/s1",VEXDRERIMPLZLU,QWWZWVQMSA,N,"3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid",VEXDRERIMPLZLU-QWWZWVQMSA-N
HMDB00411,392.292659768,C24H40O4,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21-,23+,24-/m1/s1",KXGVEGMKQFWNSR,MFSKYVBHSA,N,"3a,12b-Dihydroxy-5b-cholanoic acid",KXGVEGMKQFWNSR-MFSKYVBHSA-N
HMDB00412,292.240230268,C19H32O2,C[C@]12CCC3C(CCC4C[C@@H](O)CC[C@]34C)C1CC[C@H]2O,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,17+,18-,19-/m0/s1",CBMYJHIOYJEBSB,ILNNWSBUSA,N,"3b,17a-Dihydroxy-5a-androstane",CBMYJHIOYJEBSB-ILNNWSBUSA-N
HMDB00413,246.146723814,C12H22O5,OC(CCCCCCCCC(O)=O)CC(O)=O,"InChI=1S/C12H22O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h10,13H,1-9H2,(H,14,15)(H,16,17)",FYVQCLGZFXHEGL,UHFFFAOYSA,N,3-Hydroxydodecanedioic acid,FYVQCLGZFXHEGL-UHFFFAOYSA-N
HMDB00414,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)C[C@@H](O)[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(8-9-23(16,17)2)24(3)14(11-19(22)26)10-15(25)12-20(24)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20-,22+,23-,24+/m1/s1",GYUVAHWOVINGNE,RWXZXXAWSA,N,"1b,3a,7a-Trihydroxy-5b-cholanoic acid",GYUVAHWOVINGNE-RWXZXXAWSA-N
HMDB00415,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1",DKPMWHFRUGMUKF,CRKPLTDNSA,N,"3a,6b,7b-Trihydroxy-5b-cholanoic acid",DKPMWHFRUGMUKF-CRKPLTDNSA-N
HMDB00416,412.191959446,C21H32O6S,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15?,16-,17+,18+,19+,20+,21+/m1/s1",OMOKWYAQVYBHMG,QUPIPBJSSA,N,17-Hydroxypregnenolone sulfate,OMOKWYAQVYBHMG-QUPIPBJSSA-N
HMDB00417,312.302830524,C20H40O2,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(O)=O,"InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19-/m1/s1",RLCKHJSFHOZMDR,GUDVDZBRSA,N,"3D,7D,11D-Phytanic acid",RLCKHJSFHOZMDR-GUDVDZBRSA-N
HMDB00418,378.204238692,C21H30O6,[H][C@@]12CC[C@@](O)(C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,14-16,18,22-23,25,27H,2-7,9-11H2,1H3/t14-,15-,16-,18+,19-,20+,21+/m0/s1",HESFZGWRDUVOMS,FJNAKSJRSA,N,18-Hydroxycortisol,HESFZGWRDUVOMS-FJNAKSJRSA-N
HMDB00419,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ,UXWVVXDJSA,N,"3b,7a,12a-Trihydroxy-5b-cholanoic acid",BHQCQFFYRZLCQQ-UXWVVXDJSA-N
HMDB00421,134.057908808,C5H10O4,CCC(O)C(O)C(O)=O,"InChI=1S/C5H10O4/c1-2-3(6)4(7)5(8)9/h3-4,6-7H,2H2,1H3,(H,8,9)",CJXCLBPFKGZXJP,UHFFFAOYSA,N,"2,3-Dihydroxyvaleric acid",CJXCLBPFKGZXJP-UHFFFAOYSA-N
HMDB00422,146.057908808,C6H10O4,CC(CCC(O)=O)C(O)=O,"InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)",AQYCMVICBNBXNA,UHFFFAOYSA,N,2-Methylglutaric acid,AQYCMVICBNBXNA-UHFFFAOYSA-N
HMDB00423,182.057908808,C9H10O4,OC(=O)CCC1=CC=C(O)C(O)=C1,"InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)",DZAUWHJDUNRCTF,UHFFFAOYSA,N,"3,4-Dihydroxyhydrocinnamic acid",DZAUWHJDUNRCTF-UHFFFAOYSA-N
HMDB00424,218.115423686,C10H18O5,OC(CCCCCCCC(O)=O)C(O)=O,"InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)",LPIOYESQKJFWPQ,UHFFFAOYSA,N,2-Hydroxydecanedioic acid,LPIOYESQKJFWPQ-UHFFFAOYSA-N
HMDB00425,268.07943211,C9H16O9,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CC(=O)C(O)=O,"InChI=1S/C9H16O9/c10-2-5(13)7(15)8(16)6(14)3(11)1-4(12)9(17)18/h3,5-8,10-11,13-16H,1-2H2,(H,17,18)/t3-,5-,6+,7+,8+/m0/s1",FQHUAUMYHAJTDH,IMSDGWMTSA,N,3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid,FQHUAUMYHAJTDH-IMSDGWMTSA-N
HMDB00426,148.037173366,C5H8O5,CC(O)(CC(O)=O)C(O)=O,"InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)",XFTRTWQBIOMVPK,UHFFFAOYSA,N,Citramalic acid,XFTRTWQBIOMVPK-UHFFFAOYSA-N
HMDB00427,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ,UEXPSFCYSA,N,"3b,7b,12a-Trihydroxy-5a-Cholanoic acid",BHQCQFFYRZLCQQ-UEXPSFCYSA-N
HMDB00428,148.037173366,C5H8O5,OC(CC(O)=O)CC(O)=O,"InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)",ZQHYXNSQOIDNTL,UHFFFAOYSA,N,3-Hydroxyglutaric acid,ZQHYXNSQOIDNTL-UHFFFAOYSA-N
HMDB00429,272.177630012,C18H24O2,[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1",VOXZDWNPVJITMN,SFFUCWETSA,N,17a-Estradiol,VOXZDWNPVJITMN-SFFUCWETSA-N
HMDB00430,416.329045274,C27H44O3,C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C,"InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22-,23-,24+,25?,27-/m1/s1",FCKJYANJHNLEEP,OIMXRAFZSA,N,"24,25-Dihydroxyvitamin D",FCKJYANJHNLEEP-OIMXRAFZSA-N
HMDB00431,288.172544634,C18H24O3,[H][C@@]12C[C@H](O)[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17-,18+/m1/s1",PROQIPRRNZUXQM,LMMHAMTPSA,N,"16,17-Epiestriol",PROQIPRRNZUXQM-LMMHAMTPSA-N
HMDB00432,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ,PWNRUWOFSA,N,"3a,7b,12a-Trihydroxy-5a-Cholanoic acid",BHQCQFFYRZLCQQ-PWNRUWOFSA-N
HMDB00433,424.282489012,C24H40O6,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(O)C[C@@]1([H])[C@@]2([H])C(O)CC2CC(O)CC(O)[C@]12C,"InChI=1S/C24H40O6/c1-12(4-7-21(29)30)15-5-6-16-22-17(11-20(28)24(15,16)3)23(2)13(9-18(22)26)8-14(25)10-19(23)27/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13?,14?,15-,16+,17+,18?,19?,20?,22+,23+,24-/m1/s1",UYVVLXVBEQAATF,KBXJPTNGSA,N,"1,3,7,12-Tetrahydroxycholan-24-oic acid",UYVVLXVBEQAATF-KBXJPTNGSA-N
HMDB00434,196.073558872,C10H12O4,COC1=CC=C(CC(O)=O)C=C1OC,"InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)",WUAXWQRULBZETB,UHFFFAOYSA,N,Homoveratric acid,WUAXWQRULBZETB-UHFFFAOYSA-N
HMDB00437,424.282489012,C24H40O6,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])[C@@H](O)[C@H](O)CC[C@]12C,"InChI=1S/C24H40O6/c1-12(4-7-20(28)29)13-5-6-14-21-15(11-19(27)24(13,14)3)23(2)9-8-17(25)22(30)16(23)10-18(21)26/h12-19,21-22,25-27,30H,4-11H2,1-3H3,(H,28,29)/t12-,13-,14+,15+,16-,17-,18-,19+,21+,22-,23-,24-/m1/s1",WGGZRKVUOFMQHM,HPJHAEAHSA,N,"3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid",WGGZRKVUOFMQHM-HPJHAEAHSA-N
HMDB00438,392.292659768,C24H40O4,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,20+,21+,23+,24-/m1/s1",KXGVEGMKQFWNSR,OFYXWCICSA,N,"3b,12a-Dihydroxy-5b-cholanoic acid",KXGVEGMKQFWNSR-OFYXWCICSA-N
HMDB00439,169.037507717,C7H7NO4,OC(=O)CNC(=O)C1=CC=CO1,"InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)",KSPQDMRTZZYQLM,UHFFFAOYSA,N,2-Furoylglycine,KSPQDMRTZZYQLM-UHFFFAOYSA-N
HMDB00440,152.047344122,C8H8O3,OC(=O)CC1=CC=CC(O)=C1,"InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",FVMDYYGIDFPZAX,UHFFFAOYSA,N,3-Hydroxyphenylacetic acid,FVMDYYGIDFPZAX-UHFFFAOYSA-N
HMDB00442,104.047344122,C4H8O3,C[C@H](O)CC(O)=O,"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1",WHBMMWSBFZVSSR,VKHMYHEASA,N,(S)-3-Hydroxybutyric acid,WHBMMWSBFZVSSR-VKHMYHEASA-N
HMDB00444,112.016043994,C5H4O3,OC(=O)C1=COC=C1,"InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)",IHCCAYCGZOLTEU,UHFFFAOYSA,N,3-Furoic acid,IHCCAYCGZOLTEU-UHFFFAOYSA-N
HMDB00445,691.253492885,C26H45NO20,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O[C@]1([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O,"InChI=1S/C26H45NO20/c1-7-14(35)19(40)20(41)25(42-7)47-23-22(46-24-13(27-8(2)32)18(39)16(37)11(5-30)43-24)17(38)12(6-31)44-26(23)45-21(10(34)4-29)15(36)9(33)3-28/h3,7,9-26,29-31,33-41H,4-6H2,1-2H3,(H,27,32)/t7-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20-,21+,22-,23+,24+,25-,26-/m0/s1",DLJLMAWPOOWMRF,BFJQYDNNSA,N,Alpha-Tetrasaccharide,DLJLMAWPOOWMRF-BFJQYDNNSA-N
HMDB00446,188.116092388,C8H16N2O3,CC(=O)NC(CCCCN)C(O)=O,"InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)",VEYYWZRYIYDQJM,UHFFFAOYSA,N,N-Alpha-acetyllysine,VEYYWZRYIYDQJM-UHFFFAOYSA-N
HMDB00447,404.256274262,C24H36O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C,"InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h10,13,16-20,22,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",ZZUMXQCSMJCDDC,DFQOQHGMSA,N,"7a,12a-Dihydroxy-3-oxo-4-cholenoic acid",ZZUMXQCSMJCDDC-DFQOQHGMSA-N
HMDB00448,146.057908808,C6H10O4,OC(=O)CCCCC(O)=O,"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)",WNLRTRBMVRJNCN,UHFFFAOYSA,N,Adipic acid,WNLRTRBMVRJNCN-UHFFFAOYSA-N
HMDB00449,350.245709576,C21H34O4,[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,17-,19+,20-,21-/m0/s1",RHQQHZQUAMFINJ,NZTKVECHSA,N,5a-Tetrahydrocorticosterone,RHQQHZQUAMFINJ-NZTKVECHSA-N
HMDB00450,162.100442324,C6H14N2O3,NC[C@H](O)CC[C@H](N)C(O)=O,"InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1",YSMODUONRAFBET,UHNVWZDZSA,N,5-Hydroxylysine,YSMODUONRAFBET-UHNVWZDZSA-N
HMDB00451,158.094294314,C8H14O3,OC1CCC(CC(O)=O)CC1,"InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)",ALTAAUJNHYWOGS,UHFFFAOYSA,N,cis-4-Hydroxycyclohexylacetic acid,ALTAAUJNHYWOGS-UHFFFAOYSA-N
HMDB00452,103.063328537,C4H9NO2,CC[C@H](N)C(O)=O,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",QWCKQJZIFLGMSD,VKHMYHEASA,N,L-Alpha-aminobutyric acid,QWCKQJZIFLGMSD-VKHMYHEASA-N
HMDB00453,114.068079564,C6H10O2,CC1CCCC(=O)O1,"InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3",RZTOWFMDBDPERY,UHFFFAOYSA,N,Delta-Hexanolactone,RZTOWFMDBDPERY-UHFFFAOYSA-N
HMDB00455,222.067427636,C7H14N2O4S,N[C@@H](CCSCC(N)C(O)=O)C(O)=O,"InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5?/m0/s1",ILRYLPWNYFXEMH,ROLXFIACSA,N,Allocystathionine,ILRYLPWNYFXEMH-ROLXFIACSA-N
HMDB00458,292.240230268,C19H32O2,[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17+,18-,19-/m0/s1",CBMYJHIOYJEBSB,CUZKMJQKSA,N,"5a-Androstane-3a,17a-diol",CBMYJHIOYJEBSB-CUZKMJQKSA-N
HMDB00459,157.073893223,C7H11NO3,CC(C)=CC(=O)NCC(O)=O,"InChI=1S/C7H11NO3/c1-5(2)3-6(9)8-4-7(10)11/h3H,4H2,1-2H3,(H,8,9)(H,10,11)",PFWQSHXPNKRLIV,UHFFFAOYSA,N,3-Methylcrotonylglycine,PFWQSHXPNKRLIV-UHFFFAOYSA-N
HMDB00460,390.277009704,C24H38O4,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17?,18+,19+,20+,22+,23+,24-/m1/s1",KNVADAPHVNKTEP,MKYSPFRDSA,N,7-Hydroxy-3-oxocholanoic acid,KNVADAPHVNKTEP-MKYSPFRDSA-N
HMDB00462,158.043990078,C4H6N4O3,NC(=O)NC1NC(=O)NC1=O,"InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)",POJWUDADGALRAB,UHFFFAOYSA,N,Allantoin,POJWUDADGALRAB-UHFFFAOYSA-N
HMDB00464,39.962591155,Ca,[Ca++],InChI=1S/Ca/q+2,BHPQYMZQTOCNFJ,UHFFFAOYSA,N,Calcium,BHPQYMZQTOCNFJ-UHFFFAOYSA-N
HMDB00466,131.073499293,C9H9N,CC1=CNC2=C1C=CC=C2,"InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3",ZFRKQXVRDFCRJG,UHFFFAOYSA,N,3-Methylindole,ZFRKQXVRDFCRJG-UHFFFAOYSA-N
HMDB00467,390.277009704,C24H38O4,[H][C@@]12CCC([C@@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17?,18-,19-,22-,23-,24+/m0/s1",DXOCDBGWDZAYRQ,QPVZPPSOSA,N,Nutriacholic acid,DXOCDBGWDZAYRQ-QPVZPPSOSA-N
HMDB00468,237.086189243,C9H11N5O3,C[C@H](O)[C@H](O)C1=NC2=C(NC(N)=NC2=O)N=C1,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1",LHQIJBMDNUYRAM,DZSWIPIPSA,N,Biopterin,LHQIJBMDNUYRAM-DZSWIPIPSA-N
HMDB00469,142.037842068,C5H6N2O3,OCC1=CNC(=O)NC1=O,"InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)",JDBGXEHEIRGOBU,UHFFFAOYSA,N,5-Hydroxymethyluracil,JDBGXEHEIRGOBU-UHFFFAOYSA-N
HMDB00472,220.08479226,C11H12N2O3,NC(CC1=CNC2=C1C=C(O)C=C2)C(O)=O,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",LDCYZAJDBXYCGN,UHFFFAOYSA,N,5-Hydroxy-L-tryptophan,LDCYZAJDBXYCGN-UHFFFAOYSA-N
HMDB00473,163.085795313,C7H9N5,CN(C)C1=NC=NC2=C1NC=N2,"InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)",BVIAOQMSVZHOJM,UHFFFAOYSA,N,6-Dimethylaminopurine,BVIAOQMSVZHOJM-UHFFFAOYSA-N
HMDB00474,72.057514878,C4H8O,CCC(C)=O,"InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3",ZWEHNKRNPOVVGH,UHFFFAOYSA,N,Butanone,ZWEHNKRNPOVVGH-UHFFFAOYSA-N
HMDB00476,370.250794954,C24H34O3,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,"InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5-6,14-15,18-21H,4,7-13H2,1-3H3,(H,26,27)/t15-,18+,19-,20+,21+,23+,24-/m1/s1",CREVIXFSUWYGRJ,IHMUCKAYSA,N,"3-Oxo-4,6-choladienoic acid",CREVIXFSUWYGRJ-IHMUCKAYSA-N
HMDB00477,252.20893014,C16H28O2,CCCCC\C=C/C\C=C/CCCCCC(O)=O,"InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10H,2-5,8,11-15H2,1H3,(H,17,18)/b7-6-,10-9-",WPJGPAAPSBVXNU,HZJYTTRNSA,N,"7Z,10Z-Hexadecadienoic acid",WPJGPAAPSBVXNU-HZJYTTRNSA-N
HMDB00478,392.292659768,C24H40O4,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18?,19+,20+,21+,23+,24-/m1/s1",KXGVEGMKQFWNSR,FBDAZGPESA,N,Allodeoxycholic acid,KXGVEGMKQFWNSR-FBDAZGPESA-N
HMDB00479,169.085126611,C7H11N3O2,CN1C=NC=C1C[C@H](N)C(O)=O,"InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1",JDHILDINMRGULE,LURJTMIESA,N,3-Methylhistidine,JDHILDINMRGULE-LURJTMIESA-N
HMDB00481,268.080769514,C10H12N4O5,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1N=CC2=C1NC=NC2=O,"InChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-8-4(1-13-14)9(18)12-3-11-8/h1,3,5-7,10,15-17H,2H2,(H,11,12,18)/t5-,6-,7-,10-/m1/s1",KFQUAMTWOJHPEJ,DAGMQNCNSA,N,Allopurinol riboside,KFQUAMTWOJHPEJ-DAGMQNCNSA-N
HMDB00482,144.115029756,C8H16O2,CCCCCCCC(O)=O,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)",WWZKQHOCKIZLMA,UHFFFAOYSA,N,Caprylic acid,WWZKQHOCKIZLMA-UHFFFAOYSA-N
HMDB00483,452.350174646,C27H48O5,[H]C1CC([C@@H](C)C[C@H](O)CC(C)(C)O)[C@]2(C)C1[C@]1([H])[C@H](O)C[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H]2O,"InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16-,17+,18-,19?,20?,21-,22+,23-,24-,26-,27+/m0/s1",OXSBBBPDYVCAKC,CTSLUMRNSA,N,"5b-Cholestane-3a,7a,12a,23S,25-pentol",OXSBBBPDYVCAKC-CTSLUMRNSA-N
HMDB00484,168.042258738,C8H8O4,COC1=C(O)C=CC(=C1)C(O)=O,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",WKOLLVMJNQIZCI,UHFFFAOYSA,N,Vanillic acid,WKOLLVMJNQIZCI-UHFFFAOYSA-N
HMDB00486,160.109944378,C8H16O3,CC(O)CCCCCC(O)=O,"InChI=1S/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)",OFCMTSZRXXFMBQ,UHFFFAOYSA,N,7-Hydroxyoctanoic acid,OFCMTSZRXXFMBQ-UHFFFAOYSA-N
HMDB00488,584.263484904,C33H36N4O6,CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2\NC(=O)C(C=C)=C2C)N1,"InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,27-14-",BPYKTIZUTYGOLE,KDUUSRDASA,N,"4E,15Z-Bilirubin IXa",BPYKTIZUTYGOLE-KDUUSRDASA-N
HMDB00489,335.132864663,C12H21N3O8,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O,"InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1",YTTRPBWEMMPYSW,HRRFRDKFSA,N,Aspartylglycosamine,YTTRPBWEMMPYSW-HRRFRDKFSA-N
HMDB00490,290.224580204,C19H30O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@]([H])(O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1",QGXBDMJGAMFCBF,BNSUEQOYSA,N,Etiocholanolone,QGXBDMJGAMFCBF-BNSUEQOYSA-N
HMDB00491,130.062994186,C6H10O3,CCC(C)C(=O)C(O)=O,"InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",JVQYSWDUAOAHFM,UHFFFAOYSA,N,3-Methyl-2-oxovaleric acid,JVQYSWDUAOAHFM-UHFFFAOYSA-N
HMDB00492,34.968852707,Cl,[Cl-],InChI=1S/ClH/h1H/p-1,VEXZGXHMUGYJMC,UHFFFAOYSA,M,Chloride ion,VEXZGXHMUGYJMC-UHFFFAOYSA-M
HMDB00493,292.240230268,C19H32O2,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1",CBMYJHIOYJEBSB,YSZCXEEOSA,N,"5a-Androstane-3b,17b-diol",CBMYJHIOYJEBSB-YSZCXEEOSA-N
HMDB00494,416.401816294,C29H52O,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,"InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1",LGJMUZUPVCAVPU,KZXGMYDKSA,N,Stigmastanol,LGJMUZUPVCAVPU-KZXGMYDKSA-N
HMDB00495,292.240230268,C19H32O2,[H][C@@]12CCC(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17?,18-,19-/m0/s1",CBMYJHIOYJEBSB,UNPXRYTGSA,N,Androstanediol,CBMYJHIOYJEBSB-UNPXRYTGSA-N
HMDB00496,360.10564686,C15H20O10,COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)CO,"InChI=1S/C15H20O10/c1-23-9-4-6(7(17)5-16)2-3-8(9)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,7,10-13,15-20H,5H2,1H3,(H,21,22)/t7?,10-,11-,12+,13-,15+/m0/s1",VMWCOZPKGQMCRO,UICVJNQZSA,N,3-Methoxy-4-hydroxyphenylglycol glucuronide,VMWCOZPKGQMCRO-UICVJNQZSA-N
HMDB00497,246.08518619,C9H14N2O6,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O,"InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",ZPTBLXKRQACLCR,XVFCMESISA,N,"5,6-Dihydrouridine",ZPTBLXKRQACLCR-XVFCMESISA-N
HMDB00498,120.042258744,C4H8O4,C[C@@H](O)[C@@H](O)C(O)=O,"InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3-/m1/s1",LOUGYXZSURQALL,PWNYCUMCSA,N,4-Deoxyerythronic acid,LOUGYXZSURQALL-PWNYCUMCSA-N
HMDB00499,226.193280076,C14H26O2,CCCCCCCC\C=C\CCCC(O)=O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3,(H,15,16)/b10-9+",AFGUVBVUFZMJMX,MDZDMXLPSA,N,5-Tetradecenoic acid,AFGUVBVUFZMJMX-MDZDMXLPSA-N
HMDB00500,138.031694053,C7H6O3,OC(=O)C1=CC=C(O)C=C1,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",FJKROLUGYXJWQN,UHFFFAOYSA,N,4-Hydroxybenzoic acid,FJKROLUGYXJWQN-UHFFFAOYSA-N
HMDB00501,400.334130652,C27H44O2,[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C=C2CC(O)CC[C@]12C,"InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20?,21?,22+,23+,25+,26+,27-/m1/s1",YIKKMWSQVKJCOP,QJFKPLHKSA,N,7-Ketocholesterol,YIKKMWSQVKJCOP-QJFKPLHKSA-N
HMDB00502,406.271924326,C24H38O5,[H][C@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16+,17+,18+,19-,20-,22+,23+,24-/m1/s1",OEKUSRBIIZNLHZ,ZHDFXGGTSA,N,3-Oxocholic acid,OEKUSRBIIZNLHZ-ZHDFXGGTSA-N
HMDB00503,390.277009704,C24H38O4,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17?,18+,19+,20-,22+,23+,24-/m1/s1",KNVADAPHVNKTEP,KXIRRPOASA,N,7a-Hydroxy-3-oxo-5b-cholanoic acid,KNVADAPHVNKTEP-KXIRRPOASA-N
HMDB00505,408.28757439,C24H40O5,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC(O)[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19-,20?,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ,HXCSUAOSSA,N,Allocholic acid,BHQCQFFYRZLCQQ-HXCSUAOSSA-N
HMDB00506,408.28757439,C24H40O5,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15?,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1",DKPMWHFRUGMUKF,LPMPYYIQSA,N,Alpha-Muricholic acid,DKPMWHFRUGMUKF-LPMPYYIQSA-N
HMDB00508,152.068473494,C5H12O5,OC[C@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-",HEBKCHPVOIAQTA,ZXFHETKHSA,N,Ribitol,HEBKCHPVOIAQTA-ZXFHETKHSA-N
HMDB00509,100.0524295,C5H8O2,CC(C)=CC(O)=O,"InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)",YYPNJNDODFVZLE,UHFFFAOYSA,N,Senecioic acid,YYPNJNDODFVZLE-UHFFFAOYSA-N
HMDB00510,161.068807845,C6H11NO4,NC(CCCC(O)=O)C(O)=O,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)",OYIFNHCXNCRBQI,UHFFFAOYSA,N,Aminoadipic acid,OYIFNHCXNCRBQI-UHFFFAOYSA-N
HMDB00511,172.146329884,C10H20O2,CCCCCCCCCC(O)=O,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",GHVNFZFCNZKVNT,UHFFFAOYSA,N,Capric acid,GHVNFZFCNZKVNT-UHFFFAOYSA-N
HMDB00512,207.089543287,C11H13NO3,CC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1",CBQJSKKFNMDLON,JTQLQIEISA,N,N-Acetyl-L-phenylalanine,CBQJSKKFNMDLON-JTQLQIEISA-N
HMDB00513,452.350174646,C27H48O5,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](O)CC(C)(C)O,"InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1",OXSBBBPDYVCAKC,DYGXNTOZSA,N,"5b-Cholestane-3a,7a,12a,23R,25-pentol",OXSBBBPDYVCAKC-DYGXNTOZSA-N
HMDB00514,392.292659768,C24H40O4,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17?,18+,19+,20-,22+,23+,24-/m1/s1",RUDATBOHQWOJDD,FBMQJMKYSA,N,Allochenodeoxycholic acid,RUDATBOHQWOJDD-FBMQJMKYSA-N
HMDB00516,180.063388116,C6H12O6,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",WQZGKKKJIJFFOK,VFUOTHLCSA,N,Beta-D-Glucose,WQZGKKKJIJFFOK-VFUOTHLCSA-N
HMDB00517,174.111675712,C6H14N4O2,N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",ODKSFYDXXFIFQN,BYPYZUCNSA,N,L-Arginine,ODKSFYDXXFIFQN-BYPYZUCNSA-N
HMDB00518,392.292659768,C24H40O4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",RUDATBOHQWOJDD,BSWAIDMHSA,N,Chenodeoxycholic acid,RUDATBOHQWOJDD-BSWAIDMHSA-N
HMDB00520,436.355260024,C27H48O4,[H][C@@]12CCC([C@H](C)CCCC(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17-,18-,19?,20+,21+,22-,23+,24+,26+,27-/m1/s1",NTIXPPFPXLYJCT,SUGKMTRFSA,N,"5a-Cholestane-3a,7a,12a,25-tetrol",NTIXPPFPXLYJCT-SUGKMTRFSA-N
HMDB00521,226.193280076,C14H26O2,CCCCCCCC\C=C/CCCC(O)=O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3,(H,15,16)/b10-9-",AFGUVBVUFZMJMX,KTKRTIGZSA,N,5Z-Tetradecenoic acid,AFGUVBVUFZMJMX-KTKRTIGZSA-N
HMDB00522,144.042258744,C6H8O4,C\C(CC(O)=O)=C/C(O)=O,"InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+",WKRBKYFIJPGYQC,DUXPYHPUSA,N,3-Methylglutaconic acid,WKRBKYFIJPGYQC-DUXPYHPUSA-N
HMDB00523,306.219494826,C19H30O3,[H][C@@]12C[C@H](O)[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16-,17+,18-,19-/m0/s1",GUGSXATYPSGVAY,CUZKMJQKSA,N,"5-Androstene-3b,16b,17a-triol",GUGSXATYPSGVAY-CUZKMJQKSA-N
HMDB00524,436.355260024,C27H48O4,[H][C@@]12CCC([C@H](C)CCCC(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17+,18-,19?,20+,21+,22-,23+,24+,26+,27-/m1/s1",NTIXPPFPXLYJCT,RUYUEJGQSA,N,"5b-Cholestane-3a,7a,12a,25-tetrol",NTIXPPFPXLYJCT-RUYUEJGQSA-N
HMDB00525,132.07864425,C6H12O3,CC(O)CCCC(O)=O,"InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)",YDCRNMJQROAWFT,UHFFFAOYSA,N,5-Hydroxyhexanoic acid,YDCRNMJQROAWFT-UHFFFAOYSA-N
HMDB00526,366.240624198,C21H34O5,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18+,19-,20-,21-/m0/s1",AODPIQQILQLWGS,FDSHTENPSA,N,5a-Tetrahydrocortisol,AODPIQQILQLWGS-FDSHTENPSA-N
HMDB00527,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])C[C@H](O)C2C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-22(28)29)16-5-6-17-15-11-20(26)19-10-14(25)8-9-23(19,2)18(15)12-21(27)24(16,17)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,19?,20+,21+,23-,24-/m1/s1",GCAHOAMXTYBLNZ,YAZNBHORSA,N,"6a,12a-Dihydroxylithocholic acid",GCAHOAMXTYBLNZ-YAZNBHORSA-N
HMDB00528,158.03275669,C5H6N2O4,OC(=O)C1CC(=O)NC(=O)N1,"InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)",UFIVEPVSAGBUSI,UHFFFAOYSA,N,"4,5-Dihydroorotic acid",UFIVEPVSAGBUSI-UHFFFAOYSA-N
HMDB00529,198.161979948,C12H22O2,CCCCCC\C=C/CCCC(O)=O,"InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7-",IJBFSOLHRKELLR,FPLPWBNLSA,N,5-Dodecenoic acid,IJBFSOLHRKELLR-FPLPWBNLSA-N
HMDB00530,302.151809192,C18H22O4,[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C=C(O)C=C3)C(=O)C[C@@]21[H],"InChI=1S/C18H22O4/c1-18-5-4-11-10-3-2-9(19)6-13(10)15(20)7-12(11)14(18)8-16(21)17(18)22/h2-3,6,11-12,14,16-17,19,21-22H,4-5,7-8H2,1H3/t11-,12-,14+,16-,17+,18+/m1/s1",PYFIDTBVOMQKDC,XCYHEEQWSA,N,6-Ketoestriol,PYFIDTBVOMQKDC-XCYHEEQWSA-N
HMDB00531,118.062994186,C5H10O3,CCC(O)CC(O)=O,"InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",REKYPYSUBKSCAT,UHFFFAOYSA,N,3-Hydroxyvaleric acid,REKYPYSUBKSCAT-UHFFFAOYSA-N
HMDB00532,117.042593095,C4H7NO3,CC(=O)NCC(O)=O,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",OKJIRPAQVSHGFK,UHFFFAOYSA,N,Acetylglycine,OKJIRPAQVSHGFK-UHFFFAOYSA-N
HMDB00534,402.386166222,C28H50O,[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)CC[C@]12C,"InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21?,22?,23+,24-,25+,26+,27+,28-/m1/s1",ARYTXMNEANMLMU,XKPVSPJHSA,N,Campestanol,ARYTXMNEANMLMU-XKPVSPJHSA-N
HMDB00535,116.083729628,C6H12O2,CCCCCC(O)=O,"InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)",FUZZWVXGSFPDMH,UHFFFAOYSA,N,Caproic acid,FUZZWVXGSFPDMH-UHFFFAOYSA-N
HMDB00536,463.074042955,C14H18N5O11P,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2NC(CC(O)=O)C(O)=O,"InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5?,6-,9-,10-,13-/m1/s1",OFBHPPMPBOJXRT,DPXQIYNJSA,N,Adenylsuccinic acid,OFBHPPMPBOJXRT-DPXQIYNJSA-N
HMDB00538,506.995745159,C10H16N5O13P3,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",ZKHQWZAMYRWXGA,KQYNXXCUSA,N,Adenosine triphosphate,ZKHQWZAMYRWXGA-KQYNXXCUSA-N
HMDB00539,166.047738052,C5H10O6,OC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O,"InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1",QXKAIJAYHKCRRA,JJYYJPOSSA,N,Arabinonic acid,QXKAIJAYHKCRRA-JJYYJPOSSA-N
HMDB00540,306.219494826,C19H30O3,[H][C@@]12C[C@@H](O)[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17+,18-,19-/m0/s1",GUGSXATYPSGVAY,LFJLJVMTSA,N,"5-Androstene-3b,16a,17a-triol",GUGSXATYPSGVAY-LFJLJVMTSA-N
HMDB00541,402.277009704,C25H38O4,[H][C@@]12CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)CC2CC(=O)CC[C@]12C,"InChI=1S/C25H38O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-20,23H,5-14H2,1-4H3/t15-,16?,18-,19+,20+,23+,24+,25-/m1/s1",UZRRNRRCPZZPNY,ZECRIGHZSA,N,7b-Hydroxy-3-oxo-5b-cholanoic acid,UZRRNRRCPZZPNY-ZECRIGHZSA-N
HMDB00542,151.049409807,C5H5N5O,NC1=NC=NC2=C1NC(O)=N2,"InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)",RGKBRPAAQSHTED,UHFFFAOYSA,N,8-Hydroxyadenine,RGKBRPAAQSHTED-UHFFFAOYSA-N
HMDB00543,164.083729628,C10H12O2,OC(=O)CCCC1=CC=CC=C1,"InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)",OBKXEAXTFZPCHS,UHFFFAOYSA,N,Benzenebutanoic acid,OBKXEAXTFZPCHS-UHFFFAOYSA-N
HMDB00544,156.053492132,C6H8N2O3,CC1=C(CO)C(=O)NC(=O)N1,"InChI=1S/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11)",XBAVGYMDOXCWQU,UHFFFAOYSA,N,5-Hydroxymethyl-4-methyluracil,XBAVGYMDOXCWQU-UHFFFAOYSA-N
HMDB00545,552.20628888,C24H40O10S2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O10S2/c1-14(4-7-21(25)26)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(33-35(27,28)29)12-15(23)13-20(22)34-36(30,31)32/h14-20,22H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",BWXSDJHAJWTEAD,BSWAIDMHSA,N,Chenodeoxycholic acid disulfate,BWXSDJHAJWTEAD-BSWAIDMHSA-N
HMDB00546,290.224580204,C19H30O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1",QGXBDMJGAMFCBF,XRJZGPCZSA,N,Epietiocholanolone,QGXBDMJGAMFCBF-XRJZGPCZSA-N
HMDB00547,23.985041898,Mg,[Mg++],InChI=1S/Mg/q+2,JLVVSXFLKOJNIY,UHFFFAOYSA,N,Magnesium,JLVVSXFLKOJNIY-UHFFFAOYSA-N
HMDB00548,554.454639716,C33H62O6,CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3",LADGBHLMCUINGV,UHFFFAOYSA,N,TG(10:0/10:0/10:0),LADGBHLMCUINGV-UHFFFAOYSA-N
HMDB00549,86.036779436,C4H6O2,O=C1CCCO1,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,YEJRWHAVMIAJKC,UHFFFAOYSA,N,Gamma-Butyrolactone,YEJRWHAVMIAJKC-UHFFFAOYSA-N
HMDB00550,306.219494826,C19H30O3,[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17-,18-,19-/m0/s1",GUGSXATYPSGVAY,DHKQUUGRSA,N,5-Androstenetriol,GUGSXATYPSGVAY-DHKQUUGRSA-N
HMDB00551,292.240230268,C19H32O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1",CBMYJHIOYJEBSB,GCXXXECGSA,N,Etiocholanediol,CBMYJHIOYJEBSB-GCXXXECGSA-N
HMDB00552,289.152537473,C13H23NO6,CC(CC([O-])=O)CC(=O)OC(CC(O)=O)C[N+](C)(C)C,"InChI=1S/C13H23NO6/c1-9(5-11(15)16)6-13(19)20-10(7-12(17)18)8-14(2,3)4/h9-10H,5-8H2,1-4H3,(H-,15,16,17,18)",HFCPFJNSBPQJDP,UHFFFAOYSA,N,3-Methylglutarylcarnitine,HFCPFJNSBPQJDP-UHFFFAOYSA-N
HMDB00553,312.302830524,C20H40O2,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(O)=O,"InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19+/m1/s1",RLCKHJSFHOZMDR,QRVBRYPASA,N,"3L,7D,11D-Phytanic acid",RLCKHJSFHOZMDR-QRVBRYPASA-N
HMDB00554,292.240230268,C19H32O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1",CBMYJHIOYJEBSB,KHOSGYARSA,N,Dihydroandrosterone,CBMYJHIOYJEBSB-KHOSGYARSA-N
HMDB00555,160.073558872,C7H12O4,C[C@@H](CCC(O)=O)CC(O)=O,"InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1",SYEOWUNSTUDKGM,YFKPBYRVSA,N,3-Methyladipic acid,SYEOWUNSTUDKGM-YFKPBYRVSA-N
HMDB00556,452.350174646,C27H48O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)C(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C,"InChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16?,17-,18-,19+,20+,21-,22?,23+,24+,26+,27-/m1/s1",NHPWQASMMFUHIZ,OOOZRTEJSA,N,"5b-Cholestane-3a,7a,12a,24,25-pentol",NHPWQASMMFUHIZ-OOOZRTEJSA-N
HMDB00557,131.094628665,C6H13NO2,CC[C@@H](C)[C@H](N)C(O)=O,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1",AGPKZVBTJJNPAG,UHNVWZDZSA,N,L-Alloisoleucine,AGPKZVBTJJNPAG-UHNVWZDZSA-N
HMDB00558,452.350174646,C27H48O5,[H][C@@]12CC[C@H]([C@@H](C)CC(O)CC(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17+,18?,19+,20-,21-,22+,23-,24-,26-,27+/m0/s1",OXSBBBPDYVCAKC,KHMINMIBSA,N,"5a-Cholestane-3a,7a,12a,23,25-pentol",OXSBBBPDYVCAKC-KHMINMIBSA-N
HMDB00559,264.030373428,C9H12O7S,COC1=C(OS(O)(=O)=O)C=CC(=C1)C(O)CO,"InChI=1S/C9H12O7S/c1-15-9-4-6(7(11)5-10)2-3-8(9)16-17(12,13)14/h2-4,7,10-11H,5H2,1H3,(H,12,13,14)",WUFPNASKMLJSND,UHFFFAOYSA,N,3-Methoxy-4-hydroxyphenylethyleneglycol sulfate,WUFPNASKMLJSND-UHFFFAOYSA-N
HMDB00560,224.177630012,C14H24O2,CCCCC\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,15,16)/b7-6-,10-9-",HXHZGHRLVRFQDR,HZJYTTRNSA,N,"5,8-Tetradecadienoic acid",HXHZGHRLVRFQDR-HZJYTTRNSA-N
HMDB00561,536.438201803,C40H56,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",OENHQHLEOONYIE,JLTXGRSLSA,N,B-Carotene,OENHQHLEOONYIE-JLTXGRSLSA-N
HMDB00562,113.058911861,C4H7N3O,CN1CC(=O)NC1=N,"InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)",DDRJAANPRJIHGJ,UHFFFAOYSA,N,Creatinine,DDRJAANPRJIHGJ-UHFFFAOYSA-N
HMDB00563,166.062994186,C9H10O3,[H][C@](O)(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1",VOXXWSYKYCBWHO,QMMMGPOBSA,N,D-Phenyllactic acid,VOXXWSYKYCBWHO-QMMMGPOBSA-N
HMDB00564,733.562155053,C40H80NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1",KILNVBDSWZSGLL,KXQOOQHDSA,N,PC(16:0/16:0),KILNVBDSWZSGLL-KXQOOQHDSA-N
HMDB00565,196.058302738,C6H12O7,OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1",RGHNJXZEOKUKBD,MGCNEYSASA,N,Galactonic acid,RGHNJXZEOKUKBD-MGCNEYSASA-N
HMDB00567,148.0524295,C9H8O2,OC(=O)\C=C/C1=CC=CC=C1,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-",WBYWAXJHAXSJNI,SREVYHEPSA,N,Cinnamic acid,WBYWAXJHAXSJNI-SREVYHEPSA-N
HMDB00568,152.068473494,C5H12O5,OCC(O)C(O)C(O)CO,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2",HEBKCHPVOIAQTA,UHFFFAOYSA,N,D-Arabitol,HEBKCHPVOIAQTA-UHFFFAOYSA-N
HMDB00569,412.19579927,C18H28N4O7,N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C([O-])=O)=C(C[C@H](N)C(O)=O)C(O)=C1)C(O)=O,"InChI=1S/C18H28N4O7/c19-12(16(24)25)3-1-2-6-22-8-10(4-5-13(20)17(26)27)11(15(23)9-22)7-14(21)18(28)29/h8-9,12-14H,1-7,19-21H2,(H3-,23,24,25,26,27,28,29)/t12-,13-,14-/m0/s1",ZAHDXEIQWWLQQL,IHRRRGAJSA,N,Deoxypyridinoline,ZAHDXEIQWWLQQL-IHRRRGAJSA-N
HMDB00570,654.268964212,C36H38N4O8,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C,"InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",JWFCYWSMNRLXLX,UJJXFSCMSA,N,Coproporphyrin III,JWFCYWSMNRLXLX-UJJXFSCMSA-N
HMDB00572,526.287688281,C24H40N5O8,NC(CCCC[N+]1=CC(CC[C@H](N)C(O)=O)=C(CCC[C@H](N)C(O)=O)C(CC[C@H](N)C(O)=O)=C1)C(O)=O,"InChI=1S/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1/t17?,18-,19-,20-/m0/s1",VEVRNHHLCPGNDU,NIVVRJPPSA,O,Desmosine,VEVRNHHLCPGNDU-NIVVRJPPSA-O
HMDB00573,282.255880332,C18H34O2,CCCCCCCC\C=C\CCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",ZQPPMHVWECSIRJ,MDZDMXLPSA,N,Elaidic acid,ZQPPMHVWECSIRJ-MDZDMXLPSA-N
HMDB00574,121.019749163,C3H7NO2S,N[C@@H](CS)C(O)=O,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",XUJNEKJLAYXESH,REOHCLBHSA,N,L-Cysteine,XUJNEKJLAYXESH-REOHCLBHSA-N
HMDB00575,268.05514839,C8H16N2O4S2,NC(CCSSCCC(N)C(O)=O)C(O)=O,"InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)",ZTVZLYBCZNMWCF,UHFFFAOYSA,N,DL-Homocystine,ZTVZLYBCZNMWCF-UHFFFAOYSA-N
HMDB00576,132.042258744,C5H8O4,CCOC(=O)CC(O)=O,"InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)",HGINADPHJQTSKN,UHFFFAOYSA,N,Monoethyl malonic acid,HGINADPHJQTSKN-UHFFFAOYSA-N
HMDB00577,388.370516158,C27H48O,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",QYIXCDOBOSTCEI,NWKZBHTNSA,N,5beta-Coprostanol,QYIXCDOBOSTCEI-NWKZBHTNSA-N
HMDB00579,510.226705468,C30H30N4O4,CC1=C/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(C=C4C)\C=C\1/N\2)/C(CCC(O)=O)=C3C,"InChI=1S/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,31,34H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-",KWKUIRGQJJFUCG,LMKUSPAJSA,N,Deuteroporphyrin IX,KWKUIRGQJJFUCG-LMKUSPAJSA-N
HMDB00580,463.063189697,C13H21NO15S,CC(=O)N[C@H]1[C@H](O)O[C@H](OS(O)(=O)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1",KXKPYJOVDUMHGS,OSRGNVMNSA,N,Chondroitin sulfate,KXKPYJOVDUMHGS-OSRGNVMNSA-N
HMDB00582,524.893394749,C15H13I2NO4,NC(CC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1)C(O)=O,"InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)",ZHSOTLOTTDYIIK,UHFFFAOYSA,N,"3,5-Diiodothyronine",ZHSOTLOTTDYIIK-UHFFFAOYSA-N
HMDB00583,339.350115067,C22H45NO,CCCCCCCCCCCCCCCCCCCCCC(N)=O,"InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)",ORAWFNKFUWGRJG,UHFFFAOYSA,N,Docosanamide,ORAWFNKFUWGRJG-UHFFFAOYSA-N
HMDB00585,486.206089184,C18H34N2O13,NCC(CC[C@H](N)C(O)=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O,"InChI=1S/C18H34N2O13/c19-3-6(1-2-7(20)16(28)29)30-18-15(13(26)11(24)9(5-22)32-18)33-17-14(27)12(25)10(23)8(4-21)31-17/h6-15,17-18,21-27H,1-5,19-20H2,(H,28,29)/t6?,7-,8+,9+,10+,11-,12?,13-,14+,15+,17+,18+/m0/s1",UTIRJVJBKWSIOX,SRMFCGEKSA,N,Glucosylgalactosyl hydroxylysine,UTIRJVJBKWSIOX-SRMFCGEKSA-N
HMDB00586,38.963706861,K,[K+],InChI=1S/K/q+1,NPYPAHLBTDXSSS,UHFFFAOYSA,N,Potassium,NPYPAHLBTDXSSS-UHFFFAOYSA-N
HMDB00588,22.989769675,Na,[Na+],InChI=1S/Na/q+1,FKNQFGJONOIPTF,UHFFFAOYSA,N,Sodium,FKNQFGJONOIPTF-UHFFFAOYSA-N
HMDB00590,189.063722467,C7H11NO5,OC(=O)CCCC(=O)NCC(O)=O,"InChI=1S/C7H11NO5/c9-5(8-4-7(12)13)2-1-3-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H,12,13)",NBLKTRLPZFCMJG,UHFFFAOYSA,N,Glutarylglycine,NBLKTRLPZFCMJG-UHFFFAOYSA-N
HMDB00592,259.036187087,C6H13NO8S,N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6-/m1/s1",MTDHILKWIRSIHB,QZABAPFNSA,N,Glucosamine 6-sulfate,MTDHILKWIRSIHB-QZABAPFNSA-N
HMDB00593,785.593455181,C44H84NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-",SNKAWJBJQDLSFF,YEUCEMRASA,N,PC(18:1(9Z)/18:1(9Z)),SNKAWJBJQDLSFF-YEUCEMRASA-N
HMDB00594,294.121571696,C14H18N2O5,N[C@@H](CCC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C(O)=O,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",XHHOHZPNYFQJKL,QWRGUYRKSA,N,Glutamylphenylalanine,XHHOHZPNYFQJKL-QWRGUYRKSA-N
HMDB00595,60.992568898,CHO3,OC([O-])=O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1",BVKZGUZCCUSVTD,UHFFFAOYSA,M,Hydrogen carbonate,BVKZGUZCCUSVTD-UHFFFAOYSA-M
HMDB00596,461.335252863,C24H47NO7,CCCCCCCCCCCCC\C=C\C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18?,19?,20-,21-,22+,23-,24?/m1/s1",HHJTWTPUPVQKNA,KEVGHMQTSA,N,Glucosylsphingosine,HHJTWTPUPVQKNA-KEVGHMQTSA-N
HMDB00598,31.97207069,S,[S--],InChI=1S/S/q-2,UCKMPCXJQFINFW,UHFFFAOYSA,N,Sulfide,UCKMPCXJQFINFW-UHFFFAOYSA-N
HMDB00599,51.940511904,Cr,[Cr+3],InChI=1S/Cr/q+3,BFGKITSFLPAWGI,UHFFFAOYSA,N,Chromium,BFGKITSFLPAWGI-UHFFFAOYSA-N
HMDB00600,324.153265754,C12H24N2O8,NCCCC[C@H](N(O)C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C12H24N2O8/c13-4-2-1-3-6(12(19)20)14(21)11-10(18)9(17)8(16)7(5-15)22-11/h6-11,15-18,21H,1-5,13H2,(H,19,20)/t6-,7+,8-,9-,10+,11?/m0/s1",RCPOVANIIKXVTB,YPPRVYOWSA,N,Galactosylhydroxylysine,RCPOVANIIKXVTB-YPPRVYOWSA-N
HMDB00601,450.334524582,C27H46O5,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1",CNWPIIOQKZNXBB,VCVMUKOKSA,N,Coprocholic acid,CNWPIIOQKZNXBB-VCVMUKOKSA-N
HMDB00603,200.104859,C10H16O4,OC(=O)CCCC\C=C/CCC(O)=O,"InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1,3H,2,4-8H2,(H,11,12)(H,13,14)/b3-1-",CXGDCGIPEJKSCK,IWQZZHSRSA,N,cis-4-Decenedioic acid,CXGDCGIPEJKSCK-IWQZZHSRSA-N
HMDB00606,148.037173366,C5H8O5,O[C@H](CCC(O)=O)C(O)=O,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1",HWXBTNAVRSUOJR,GSVOUGTGSA,N,D-2-Hydroxyglutaric acid,HWXBTNAVRSUOJR-GSVOUGTGSA-N
HMDB00607,1355.575230332,C63H89CoN14O14P,OC[C@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(=O)O[C@]([H])(C)CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])N([Co]C#N)\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N)N1C=NC2=CC(C)=C(C)C=C12,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+1/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",SEKGMJVHSBBHRD,WZHZPDAFSA,M,Cyanocobalamin,SEKGMJVHSBBHRD-WZHZPDAFSA-M
HMDB00608,58.933200194,Co,[Co++],InChI=1S/Co/q+2,XLJKHNWPARRRJB,UHFFFAOYSA,N,Cobalt,XLJKHNWPARRRJB-UHFFFAOYSA-N
HMDB00609,197.068807845,C9H11NO4,NC(CC1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",WTDRDQBEARUVNC,UHFFFAOYSA,N,DL-Dopa,WTDRDQBEARUVNC-UHFFFAOYSA-N
HMDB00610,648.584531676,C45H76O2,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1,"InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1",NAACPBBQTFFYQB,LJAITQKLSA,N,"CE(18:2(9Z,12Z))",NAACPBBQTFFYQB-LJAITQKLSA-N
HMDB00611,654.268964212,C36H38N4O8,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(C)=C3CCC(O)=O,"InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-15-30-23(7-11-35(45)46)19(3)27(39-30)14-28-20(4)24(8-12-36(47)48)32(40-28)16-31-22(6-10-34(43)44)18(2)26(38-31)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-14-,29-15-,30-15-,31-16-,32-16-",WBRBPZMVKKDPIT,GDDAKTJHSA,N,Coproporphyrin II,WBRBPZMVKKDPIT-GDDAKTJHSA-N
HMDB00613,136.037173366,C4H8O5,OC[C@@H](O)[C@@H](O)C(O)=O,"InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3-/m1/s1",JPIJQSOTBSSVTP,PWNYCUMCSA,N,Erythronic acid,JPIJQSOTBSSVTP-PWNYCUMCSA-N
HMDB00614,735.505034105,C38H74NO10P,CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C38H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45)/t34?,35-/m0/s1",KLFKZIQAIPDJCW,HTIIIDOHSA,N,PS(16:0/16:0),KLFKZIQAIPDJCW-HTIIIDOHSA-N
HMDB00617,112.016043994,C5H4O3,OC(=O)C1=CC=CO1,"InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",SMNDYUVBFMFKNZ,UHFFFAOYSA,N,2-Furoic acid,SMNDYUVBFMFKNZ-UHFFFAOYSA-N
HMDB00618,230.01915384,C5H11O8P,OCC(=O)[C@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1",FNZLKVNUWIIPSJ,UHNVWZDZSA,N,D-Ribulose 5-phosphate,FNZLKVNUWIIPSJ-UHNVWZDZSA-N
HMDB00619,408.28757439,C24H40O5,[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ,OELDTZBJSA,N,Cholic acid,BHQCQFFYRZLCQQ-OELDTZBJSA-N
HMDB00620,130.02660868,C5H6O4,OC(=O)C\C=C\C(O)=O,"InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+",XVOUMQNXTGKGMA,OWOJBTEDSA,N,Glutaconic acid,XVOUMQNXTGKGMA-OWOJBTEDSA-N
HMDB00621,150.05282343,C5H10O5,OC[C@@H](O)[C@@H](O)C(=O)CO,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1",ZAQJHHRNXZUBTE,NQXXGFSBSA,N,D-Ribulose,ZAQJHHRNXZUBTE-NQXXGFSBSA-N
HMDB00622,132.042258744,C5H8O4,CCC(C(O)=O)C(O)=O,"InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)",UKFXDFUAPNAMPJ,UHFFFAOYSA,N,Ethylmalonic acid,UKFXDFUAPNAMPJ-UHFFFAOYSA-N
HMDB00623,230.151809192,C12H22O4,OC(=O)CCCCCCCCCCC(O)=O,"InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)",TVIDDXQYHWJXFK,UHFFFAOYSA,N,Dodecanedioic acid,TVIDDXQYHWJXFK-UHFFFAOYSA-N
HMDB00624,132.07864425,C6H12O3,CC(C)C[C@@H](O)C(O)=O,"InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1",LVRFTAZAXQPQHI,RXMQYKEDSA,N,D-Leucic acid,LVRFTAZAXQPQHI-RXMQYKEDSA-N
HMDB00625,196.058302738,C6H12O7,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",RGHNJXZEOKUKBD,SQOUGZDYSA,N,Gluconic acid,RGHNJXZEOKUKBD-SQOUGZDYSA-N
HMDB00626,392.292659768,C24H40O4,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1",KXGVEGMKQFWNSR,LLQZFEROSA,N,Deoxycholic acid,KXGVEGMKQFWNSR-LLQZFEROSA-N
HMDB00628,288.20893014,C19H28O2,[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1",MUMGGOZAMZWBJJ,KZYORJDKSA,N,Epitestosterone,MUMGGOZAMZWBJJ-KZYORJDKSA-N
HMDB00629,379.111460519,C14H21NO11,CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1OC1OC(=C[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7-,8+,9-,10+,11-,13-,14?/m1/s1",DLGJWSVWTWEWBJ,HGGSSLSASA,N,Chondroitin,DLGJWSVWTWEWBJ-HGGSSLSASA-N
HMDB00630,111.043261797,C4H5N3O,NC1=CC=NC(=O)N1,"InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)",OPTASPLRGRRNAP,UHFFFAOYSA,N,Cytosine,OPTASPLRGRRNAP-UHFFFAOYSA-N
HMDB00631,449.314123491,C26H43NO5,[H][C@]12CCC3C4CC[C@H]([C@H](C)CCC(=O)NCC(O)=O)[C@@]4(C)[C@@H](O)CC3[C@@]1(C)CC[C@@H](O)C2,"InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18?,19-,20?,21?,22+,25+,26-/m1/s1",WVULKSPCQVQLCU,ZMBDPXIHSA,N,Deoxycholic acid glycine conjugate,WVULKSPCQVQLCU-ZMBDPXIHSA-N
HMDB00633,237.086189243,C9H11N5O3,C[C@H](O)[C@H](O)C1=NC2=C(NC(N)=NC2=O)N=C1,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1",LHQIJBMDNUYRAM,DZSWIPIPSA,N,D-Biopterin,LHQIJBMDNUYRAM-DZSWIPIPSA-N
HMDB00634,130.02660868,C5H6O4,C\C(=C\C(O)=O)C(O)=O,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-",HNEGQIOMVPPMNR,IHWYPQMZSA,N,Citraconic acid,HNEGQIOMVPPMNR-IHWYPQMZSA-N
HMDB00635,158.057908808,C7H10O4,CC(=O)CC(=O)CCC(O)=O,"InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)",WYEPBHZLDUPIOD,UHFFFAOYSA,N,Succinylacetone,WYEPBHZLDUPIOD-UHFFFAOYSA-N
HMDB00637,449.314123491,C26H43NO5,[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)[C@H](CCC3C1[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O,"InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19?,20?,21-,24?,25+,26-/m1/s1",GHCZAUBVMUEKKP,AHBZRTSYSA,N,Chenodeoxycholic acid glycine conjugate,GHCZAUBVMUEKKP-AHBZRTSYSA-N
HMDB00638,200.177630012,C12H24O2,CCCCCCCCCCCC(O)=O,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",POULHZVOKOAJMA,UHFFFAOYSA,N,Dodecanoic acid,POULHZVOKOAJMA-UHFFFAOYSA-N
HMDB00639,210.037567296,C6H10O8,O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O,"InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-",DSLZVSRJTYRBFB,DUHBMQHGSA,N,Galactaric acid,DSLZVSRJTYRBFB-DUHBMQHGSA-N
HMDB00640,162.05282343,C6H10O5,[H][C@@]12OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1",TWNIBLMWSKIRAT,VFUOTHLCSA,N,Levoglucosan,TWNIBLMWSKIRAT-VFUOTHLCSA-N
HMDB00641,146.069142196,C5H10N2O3,N[C@@H](CCC(N)=O)C(O)=O,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",ZDXPYRJPNDTMRX,VKHMYHEASA,N,L-Glutamine,ZDXPYRJPNDTMRX-VKHMYHEASA-N
HMDB00642,118.062994186,C5H10O3,C[C@@H](O)[C@H](C)C(O)=O,"InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4+/m0/s1",VEXDRERIMPLZLU,IUYQGCFVSA,N,Erythronilic acid,VEXDRERIMPLZLU-IUYQGCFVSA-N
HMDB00643,654.268964212,C36H38N4O8,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4C)/C(CCC(O)=O)=C3C,"InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-",VORBHEGMEBOMMB,JRHDEHKPSA,N,Coproporphyrin I,VORBHEGMEBOMMB-JRHDEHKPSA-N
HMDB00644,654.268964212,C36H38N4O8,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C,"InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)23(7-11-35(45)46)31(39-27)16-32-24(8-12-36(47)48)20(4)28(40-32)15-30-22(6-10-34(43)44)18(2)26(38-30)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",WEUFSMQSXVJGBC,UJJXFSCMSA,N,Coproporphyrin IV,WEUFSMQSXVJGBC-UJJXFSCMSA-N
HMDB00645,260.029718526,C6H13O9P,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1",HXXFSFRBOHSIMQ,FPRJBGLDSA,N,Galactose 1-phosphate,HXXFSFRBOHSIMQ-FPRJBGLDSA-N
HMDB00646,150.05282343,C5H10O5,O[C@H]1COC(O)[C@H](O)[C@H]1O,"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m0/s1",SRBFZHDQGSBBOR,HWQSCIPKSA,N,L-Arabinose,SRBFZHDQGSBBOR-HWQSCIPKSA-N
HMDB00648,461.335252863,C24H47NO7,CCCCCCCCCCCCC\C=C\C(O)C(N)COC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18?,19?,20-,21+,22+,23-,24?/m1/s1",HHJTWTPUPVQKNA,DWSXXLTBSA,N,Galactosylsphingosine,HHJTWTPUPVQKNA-DWSXXLTBSA-N
HMDB00649,414.386166222,C29H50O,[H][C@@]12CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1",KZJWDPNRJALLNS,FBZNIEFRSA,N,Clionasterol,KZJWDPNRJALLNS-FBZNIEFRSA-N
HMDB00650,103.063328537,C4H9NO2,CC[C@@H](N)C(O)=O,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",QWCKQJZIFLGMSD,GSVOUGTGSA,N,D-Alpha-aminobutyric acid,QWCKQJZIFLGMSD-GSVOUGTGSA-N
HMDB00651,315.240958549,C17H33NO4,CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3",LZOSYCMHQXPBFU,UHFFFAOYSA,N,Decanoylcarnitine,LZOSYCMHQXPBFU-UHFFFAOYSA-N
HMDB00652,475.063189697,C14H21NO15S,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O,"InChI=1S/C14H23NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/p-2/t4-,5-,6+,7+,8-,9+,10-,11+,13-,14-/m1/s1",AVJBPWGFOQAPRH,MMPMEFKSSA,L,Chondroitin 4-sulfate,AVJBPWGFOQAPRH-MMPMEFKSSA-L
HMDB00653,466.31168065,C27H46O4S,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",BHYOQNUELFTYRT,DPAQBDIFSA,N,Cholesterol sulfate,BHYOQNUELFTYRT-DPAQBDIFSA-N
HMDB00655,436.355260024,C27H48O4,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)C(O)C[C@@]1([H])[C@@]2([H])C(O)CC2CC(O)CC[C@]12C,"InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17?,18?,19-,20+,21+,22?,23?,24+,26+,27-/m1/s1",NTIXPPFPXLYJCT,OWOWEXKPSA,N,"Cholestane-3,7,12,25-tetrol",NTIXPPFPXLYJCT-OWOWEXKPSA-N
HMDB00656,426.08790508,C13H22N4O8S2,N[C@@H](CCC(=O)N[C@@H](CSSCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)/t6-,7?,8-/m0/s1",BNRXZEPOHPEEAS,PPSBICQBSA,N,Cysteineglutathione disulfide,BNRXZEPOHPEEAS-PPSBICQBSA-N
HMDB00657,62.929601079,Cu,[Cu++],InChI=1S/Cu/q+2,JPVYNHNXODAKFH,UHFFFAOYSA,N,Copper,JPVYNHNXODAKFH-UHFFFAOYSA-N
HMDB00658,622.568881612,C43H74O2,CCCCCC\C=C/CCCCCCCC(=O)OC1CC[C@@]2(C)C(=CCC3C4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1,"InChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36?,37?,38-,39?,40?,42+,43-/m1/s1",HODJWNWCVNUPAQ,FSAOOAOSSA,N,CE(16:1(9Z)),HODJWNWCVNUPAQ-FSAOOAOSSA-N
HMDB00659,552.20628888,C24H40O10S2,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O,"InChI=1S/C24H40O10S2/c1-14(4-9-22(25)26)18-7-8-19-17-6-5-15-12-16(33-35(27,28)29)10-11-23(15,2)20(17)13-21(24(18,19)3)34-36(30,31)32/h14-21H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1",BYHNMIVTBIJJFZ,LLQZFEROSA,N,Deoxycholic acid disulfate,BYHNMIVTBIJJFZ-LLQZFEROSA-N
HMDB00660,180.063388116,C6H12O6,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1",RFSUNEUAIZKAJO,ARQDHWQXSA,N,D-Fructose,RFSUNEUAIZKAJO-ARQDHWQXSA-N
HMDB00661,132.042258744,C5H8O4,OC(=O)CCCC(O)=O,"InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)",JFCQEDHGNNZCLN,UHFFFAOYSA,N,Glutaric acid,JFCQEDHGNNZCLN-UHFFFAOYSA-N
HMDB00662,18.998403205,F,[F-],InChI=1S/FH/h1H/p-1,KRHYYFGTRYWZRS,UHFFFAOYSA,M,Fluoride,KRHYYFGTRYWZRS-UHFFFAOYSA-M
HMDB00663,210.037567296,C6H10O8,O[C@@H]([C@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O,"InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1",DSLZVSRJTYRBFB,LLEIAEIESA,N,Glucaric acid,DSLZVSRJTYRBFB-LLEIAEIESA-N
HMDB00664,392.292659768,C24H40O4,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)[C@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1",DGABKXLVXPYZII,MMTMODRTSA,N,Isohyodeoxycholic acid,DGABKXLVXPYZII-MMTMODRTSA-N
HMDB00665,132.07864425,C6H12O3,CC(C)CC(O)C(O)=O,"InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)",LVRFTAZAXQPQHI,UHFFFAOYSA,N,Leucinic acid,LVRFTAZAXQPQHI-UHFFFAOYSA-N
HMDB00666,130.099379692,C7H14O2,CCCCCCC(O)=O,"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",MNWFXJYAOYHMED,UHFFFAOYSA,N,Heptanoic acid,MNWFXJYAOYHMED-UHFFFAOYSA-N
HMDB00667,273.100107973,C15H15NO4,N[C@@H](CC1=CC=C(OC2=CC=C(O)C=C2)C=C1)C(O)=O,"InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m0/s1",KKCIOUWDFWQUBT,AWEZNQCLSA,N,L-Thyronine,KKCIOUWDFWQUBT-AWEZNQCLSA-N
HMDB00668,598.279134968,C34H38N4O6,CC(O)C1=C2NC(\C=C3/N\C(=C/C4=N/C(=C\C5=N\C(=C/2)\C(C)=C5C(C)O)/C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C,"InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,35,37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-",QXNKGOQXMZXHIB,AMPAVEGJSA,N,Hematoporphyrin IX,QXNKGOQXMZXHIB-AMPAVEGJSA-N
HMDB00669,152.047344122,C8H8O3,OC(=O)CC1=CC=CC=C1O,"InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",CCVYRRGZDBSHFU,UHFFFAOYSA,N,Ortho-Hydroxyphenylacetic acid,CCVYRRGZDBSHFU-UHFFFAOYSA-N
HMDB00670,188.127325776,C7H16N4O2,N[C@@H](CCCCNC(N)=N)C(O)=O,"InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1",QUOGESRFPZDMMT,YFKPBYRVSA,N,Homo-L-arginine,QUOGESRFPZDMMT-YFKPBYRVSA-N
HMDB00671,205.073893223,C11H11NO3,OC(CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)",XGILAAMKEQUXLS,UHFFFAOYSA,N,Indolelactic acid,XGILAAMKEQUXLS-UHFFFAOYSA-N
HMDB00672,286.214409448,C16H30O4,OC(=O)CCCCCCCCCCCCCCC(O)=O,"InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)",QQHJDPROMQRDLA,UHFFFAOYSA,N,Hexadecanedioic acid,QQHJDPROMQRDLA-UHFFFAOYSA-N
HMDB00673,280.240230268,C18H32O2,CCCCC\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",OYHQOLUKZRVURQ,HZJYTTRNSA,N,Linoleic acid,OYHQOLUKZRVURQ-HZJYTTRNSA-N
HMDB00674,648.47300618,C35H69O8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1",PORPENFLTBBHSG,MGBGTMOVSA,N,PA(16:0/16:0),PORPENFLTBBHSG-MGBGTMOVSA-N
HMDB00675,253.80893684,I2,II,InChI=1S/I2/c1-2,PNDPGZBMCMUPRI,UHFFFAOYSA,N,Iodine,PNDPGZBMCMUPRI-UHFFFAOYSA-N
HMDB00676,268.05514839,C8H16N2O4S2,NC(CCSSCC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6?/m0/s1",ZTVZLYBCZNMWCF,ZBHICJROSA,N,L-Homocystine,ZTVZLYBCZNMWCF-ZBHICJROSA-N
HMDB00678,159.089543287,C7H13NO3,CC(C)CC(=O)NCC(O)=O,"InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)",ZRQXMKMBBMNNQC,UHFFFAOYSA,N,Isovalerylglycine,ZRQXMKMBBMNNQC-UHFFFAOYSA-N
HMDB00679,189.111341361,C7H15N3O3,N[C@@H](CCCCNC(N)=O)C(O)=O,"InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1",XIGSAGMEBXLVJJ,YFKPBYRVSA,N,Homocitrulline,XIGSAGMEBXLVJJ-YFKPBYRVSA-N
HMDB00682,213.009578407,C8H7NO4S,OS(=O)(=O)OC1=CNC2=CC=CC=C12,"InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)",BXFFHSIDQOFMLE,UHFFFAOYSA,N,Indoxyl sulfate,BXFFHSIDQOFMLE-UHFFFAOYSA-N
HMDB00683,608.263484904,C35H36N4O6,CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5C)C(C=C)=C4C)C(C)=C3CCC(O)=O)=C1CCC(O)=O,"InChI=1S/C35H36N4O6/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25/h6,13-16,36,39H,1,7-12H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",KECOXFKVIHSIBO,UJJXFSCMSA,N,Harderoporphyrin,KECOXFKVIHSIBO-UJJXFSCMSA-N
HMDB00684,208.08479226,C10H12N2O3,N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1",YGPSJZOEDVAXAB,QMMMGPOBSA,N,L-Kynurenine,YGPSJZOEDVAXAB-QMMMGPOBSA-N
HMDB00686,392.292659768,C24H40O4,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1",RUDATBOHQWOJDD,DNMBCGTGSA,N,Isoursodeoxycholic acid,RUDATBOHQWOJDD-DNMBCGTGSA-N
HMDB00687,131.094628665,C6H13NO2,CC(C)C[C@H](N)C(O)=O,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",ROHFNLRQFUQHCH,YFKPBYRVSA,N,L-Leucine,ROHFNLRQFUQHCH-YFKPBYRVSA-N
HMDB00688,245.162708229,C12H23NO4,CC(C)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3",IGQBPDJNUXPEMT,UHFFFAOYSA,N,Isovalerylcarnitine,IGQBPDJNUXPEMT-UHFFFAOYSA-N
HMDB00689,116.083729628,C6H12O2,CC(C)CCC(O)=O,"InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",FGKJLKRYENPLQH,UHFFFAOYSA,N,Isocaproic acid,FGKJLKRYENPLQH-UHFFFAOYSA-N
HMDB00691,104.010958616,C3H4O4,OC(=O)CC(O)=O,"InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)",OFOBLEOULBTSOW,UHFFFAOYSA,N,Malonic acid,OFOBLEOULBTSOW-UHFFFAOYSA-N
HMDB00692,55.934942133,Fe,[Fe++],InChI=1S/Fe/q+2,CWYNVVGOOAEACU,UHFFFAOYSA,N,Fe2+,CWYNVVGOOAEACU-UHFFFAOYSA-N
HMDB00694,148.037173366,C5H8O5,O[C@H](CCC(O)=O)C(O)=O,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1",HWXBTNAVRSUOJR,GSVOUGTGSA,N,L-2-Hydroxyglutaric acid,HWXBTNAVRSUOJR-GSVOUGTGSA-N
HMDB00695,130.062994186,C6H10O3,CC(C)CC(=O)C(O)=O,"InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",BKAJNAXTPSGJCU,UHFFFAOYSA,N,Ketoleucine,BKAJNAXTPSGJCU-UHFFFAOYSA-N
HMDB00696,149.051049291,C5H11NO2S,CSCC[C@H](N)C(O)=O,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",FFEARJCKVFRZRR,BYPYZUCNSA,N,L-Methionine,FFEARJCKVFRZRR-BYPYZUCNSA-N
HMDB00697,654.268964212,C36H38N4O8,CCC1=C(C)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C,"InChI=1S/C36H38N4O8/c1-5-20-17(2)25-13-26-18(3)21(6-9-33(41)42)29(38-26)15-31-23(8-11-35(45)46)24(12-36(47)48)32(40-31)16-30-22(7-10-34(43)44)19(4)27(39-30)14-28(20)37-25/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-14-,29-15-,30-16-,31-15-,32-16-",UHKZSWAPQUEURH,TXUIXYGZSA,N,Isocoproporphyrin,UHKZSWAPQUEURH-TXUIXYGZSA-N
HMDB00698,433.319208869,C26H43NO4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O,"InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1",XBSQTYHEGZTYJE,OETIFKLTSA,N,Lithocholic acid glycine conjugate,XBSQTYHEGZTYJE-OETIFKLTSA-N
HMDB00699,137.07148792,C7H9N2O,C[N+]1=CC=CC(=C1)C(N)=O,"InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1",LDHMAVIPBRSVRG,UHFFFAOYSA,O,1-Methylnicotinamide,LDHMAVIPBRSVRG-UHFFFAOYSA-O
HMDB00700,90.031694058,C3H6O3,OCCC(O)=O,"InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)",ALRHLSYJTWAHJZ,UHFFFAOYSA,N,Hydroxypropionic acid,ALRHLSYJTWAHJZ-UHFFFAOYSA-N
HMDB00701,173.105193351,C8H15NO3,CCCCCC(=O)NCC(O)=O,"InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)",UPCKIPHSXMXJOX,UHFFFAOYSA,N,Hexanoylglycine,UPCKIPHSXMXJOX-UHFFFAOYSA-N
HMDB00703,152.047344122,C8H8O3,O[C@H](C(O)=O)C1=CC=CC=C1,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1",IWYDHOAUDWTVEP,ZETCQYMHSA,N,Mandelic acid,IWYDHOAUDWTVEP-ZETCQYMHSA-N
HMDB00704,179.044324429,C6H5N5O2,NC1=NC(=O)C2=C(N1)NC(=O)C=N2,"InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)",GLKCOBIIZKYKFN,UHFFFAOYSA,N,Isoxanthopterin,GLKCOBIIZKYKFN-UHFFFAOYSA-N
HMDB00705,259.178358293,C13H25NO4,CCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3",VVPRQWTYSNDTEA,UHFFFAOYSA,N,Hexanoylcarnitine,VVPRQWTYSNDTEA-UHFFFAOYSA-N
HMDB00706,280.105921632,C13H16N2O5,N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1",YZQCXOFQZKCETR,UWVGGRQHSA,N,L-Aspartyl-L-phenylalanine,YZQCXOFQZKCETR-UWVGGRQHSA-N
HMDB00707,180.042258744,C9H8O4,OC(=O)C(=O)CC1=CC=C(O)C=C1,"InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)",KKADPXVIOXHVKN,UHFFFAOYSA,N,4-Hydroxyphenylpyruvic acid,KKADPXVIOXHVKN-UHFFFAOYSA-N
HMDB00708,449.314123491,C26H43NO5,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O,"InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1",GHCZAUBVMUEKKP,XROMFQGDSA,N,Glycoursodeoxycholic acid,GHCZAUBVMUEKKP-XROMFQGDSA-N
HMDB00709,297.045311985,C8H15N3O5S2,N[C@@H](CSSCC(N)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C8H15N3O5S2/c9-4(7(14)11-1-6(12)13)2-17-18-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4?,5-/m0/s1",ZHRLECIZINSPKL,AKGZTFGVSA,N,L-Cysteinylglycine disulfide,ZHRLECIZINSPKL-AKGZTFGVSA-N
HMDB00710,104.047344122,C4H8O3,OCCCC(O)=O,"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)",SJZRECIVHVDYJC,UHFFFAOYSA,N,4-Hydroxybutyric acid,SJZRECIVHVDYJC-UHFFFAOYSA-N
HMDB00711,160.109944378,C8H16O3,CCCCCCC(O)C(O)=O,"InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)",JKRDADVRIYVCCY,UHFFFAOYSA,N,Hydroxyoctanoic acid,JKRDADVRIYVCCY-UHFFFAOYSA-N
HMDB00712,429.309038113,C23H43NO6,C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCCCCCCCC(O)=O,"InChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)",UNHCPLSWMNPZTD,UHFFFAOYSA,N,Hexadecanedioic acid mono-L-carnitine ester,UNHCPLSWMNPZTD-UHFFFAOYSA-N
HMDB00713,376.297745146,C24H40O3,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18+,19-,20+,21+,23+,24-/m1/s1",SMEROWZSTRWXGI,XBESLWPFSA,N,Isoallolithocholic acid,SMEROWZSTRWXGI-XBESLWPFSA-N
HMDB00714,179.058243159,C9H9NO3,OC(=O)CNC(=O)C1=CC=CC=C1,"InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)",QIAFMBKCNZACKA,UHFFFAOYSA,N,Hippuric acid,QIAFMBKCNZACKA-UHFFFAOYSA-N
HMDB00715,189.042593095,C10H7NO3,OC(=O)C1=CC(=O)C2=CC=CC=C2N1,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)",HCZHHEIFKROPDY,UHFFFAOYSA,N,Kynurenic acid,HCZHHEIFKROPDY-UHFFFAOYSA-N
HMDB00716,129.078978601,C6H11NO2,OC(=O)[C@@H]1CCCCN1,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",HXEACLLIILLPRG,YFKPBYRVSA,N,L-Pipecolic acid,HXEACLLIILLPRG-YFKPBYRVSA-N
HMDB00717,376.297745146,C24H40O3,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1",SMEROWZSTRWXGI,WFVDQZAMSA,N,Isolithocholic acid,SMEROWZSTRWXGI-WFVDQZAMSA-N
HMDB00718,102.068079564,C5H10O2,CC(C)CC(O)=O,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",GWYFCOCPABKNJV,UHFFFAOYSA,N,Isovaleric acid,GWYFCOCPABKNJV-UHFFFAOYSA-N
HMDB00719,119.058243159,C4H9NO3,N[C@@H](CCO)C(O)=O,"InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1",UKAUYVFTDYCKQA,VKHMYHEASA,N,L-Homoserine,UKAUYVFTDYCKQA-VKHMYHEASA-N
HMDB00720,116.047344122,C5H8O3,CC(=O)CCC(O)=O,"InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)",JOOXCMJARBKPKM,UHFFFAOYSA,N,Levulinic acid,JOOXCMJARBKPKM-UHFFFAOYSA-N
HMDB00721,172.08479226,C7H12N2O3,NCC(=O)N1CCCC1C(O)=O,"InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)",KZNQNBZMBZJQJO,UHFFFAOYSA,N,Glycylproline,KZNQNBZMBZJQJO-UHFFFAOYSA-N
HMDB00722,483.301844245,C26H45NO5S,C[C@H](CCC(=O)NCCS(O)(=O)=O)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18?,19-,20?,21?,22?,23?,25+,26-/m1/s1",QBYUNVOYXHFVKC,LVMSMGIASA,N,Lithocholyltaurine,QBYUNVOYXHFVKC-LVMSMGIASA-N
HMDB00725,131.058243159,C5H9NO3,O[C@H]1CN[C@@H](C1)C(O)=O,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",PMMYEEVYMWASQN,DMTCNVIQSA,N,4-Hydroxyproline,PMMYEEVYMWASQN-DMTCNVIQSA-N
HMDB00726,231.110672659,C10H17NO5,CC(C)CC(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C10H17NO5/c1-6(2)5-8(12)11-7(10(15)16)3-4-9(13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1",HCVIJONZMYVLAW,ZETCQYMHSA,N,Isovalerylglutamic acid,HCVIJONZMYVLAW-ZETCQYMHSA-N
HMDB00727,253.081103865,C9H11N5O4,NC1=NC(=O)C2=C(N1)N=CC(=N2)[C@H](O)[C@@H](O)CO,"InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m0/s1",BMQYVXCPAOLZOK,NJGYIYPDSA,N,L-Threoneopterin,BMQYVXCPAOLZOK-NJGYIYPDSA-N
HMDB00728,786.238451944,C39H38N4O14,CC1=C(CCC(O)=O)C2=N\C\1=C/C1=C(CC(O)=O)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C3\N/C(=C\2)C(CCC(O)=O)=C3CC(O)=O)C(CCC(O)=O)=C1CC(O)=O,"InChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-27-20(4-8-35(48)49)23(11-38(54)55)31(42-27)16-29-21(5-9-36(50)51)24(12-39(56)57)32(43-29)15-28-19(3-7-34(46)47)22(10-37(52)53)30(41-28)13-25(17)40-26/h13-16,41-42H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-14-,28-15-,29-16-,30-13-,31-16-,32-15-",NGHBDJAOMFYFRP,PKXAPQLQSA,N,Hydroxypropionic porphyrin III,NGHBDJAOMFYFRP-PKXAPQLQSA-N
HMDB00729,104.047344122,C4H8O3,CC(C)(O)C(O)=O,"InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)",BWLBGMIXKSTLSX,UHFFFAOYSA,N,Alpha-Hydroxyisobutyric acid,BWLBGMIXKSTLSX-UHFFFAOYSA-N
HMDB00730,145.073893223,C6H11NO3,CC(C)C(=O)NCC(O)=O,"InChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)",DCICDMMXFIELDF,UHFFFAOYSA,N,Isobutyrylglycine,DCICDMMXFIELDF-UHFFFAOYSA-N
HMDB00731,200.976563719,C3H7NO5S2,N[C@@H](CSS(O)(=O)=O)C(O)=O,"InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1",NOKPBJYHPHHWAN,REOHCLBHSA,N,Cysteine-S-sulfate,NOKPBJYHPHHWAN-REOHCLBHSA-N
HMDB00732,224.079706882,C10H12N2O4,NC(CC(=O)C1=C(N)C(O)=CC=C1)C(O)=O,"InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)",VCKPUUFAIGNJHC,UHFFFAOYSA,N,Hydroxykynurenine,VCKPUUFAIGNJHC-UHFFFAOYSA-N
HMDB00733,392.292659768,C24H40O4,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)C2C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20?,21+,23-,24-/m1/s1",DGABKXLVXPYZII,CDONHWFASA,N,Hyodeoxycholic acid,DGABKXLVXPYZII-CDONHWFASA-N
HMDB00734,187.063328537,C11H9NO2,OC(=O)\C=C\C1=CC2=C(N1)C=CC=C2,"InChI=1S/C11H9NO2/c13-11(14)6-5-9-7-8-3-1-2-4-10(8)12-9/h1-7,12H,(H,13,14)/b6-5+",SXOUIMVOMIGLHO,AATRIKPKSA,N,Indoleacrylic acid,SXOUIMVOMIGLHO-AATRIKPKSA-N
HMDB00735,209.068807845,C10H11NO4,OC(=O)CNC(=O)CC1=CC=C(O)C=C1,"InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)",CPPDWYIPKSSNNM,UHFFFAOYSA,N,Hydroxyphenylacetylglycine,CPPDWYIPKSSNNM-UHFFFAOYSA-N
HMDB00736,231.147058165,C11H21NO4,CC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3",LRCNOZRCYBNMEP,UHFFFAOYSA,N,Isobutyryl-L-carnitine,LRCNOZRCYBNMEP-UHFFFAOYSA-N
HMDB00737,786.238451944,C39H38N4O14,CC1=C(CCC(O)=O)\C2=C\C3=C(CC(O)=O)C(CCC(O)=O)=C(N3)\C=C3/N=C(/C=C4\N\C(=C/C1=N2)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O,"InChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-30-23(11-38(54)55)20(4-8-35(48)49)28(42-30)16-32-24(12-39(56)57)21(5-9-36(50)51)29(43-32)15-31-22(10-37(52)53)19(3-7-34(46)47)27(41-31)13-25(17)40-26/h13-16,41-42H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-13-,28-16-,29-15-,30-14-,31-15-,32-16-",GWTVAIDNCPVMLP,YBWGHNILSA,N,Heptacarboxylporphyrin I,GWTVAIDNCPVMLP-YBWGHNILSA-N
HMDB00738,117.057849229,C8H7N,N1C=CC2=C1C=CC=C2,"InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H",SIKJAQJRHWYJAI,UHFFFAOYSA,N,Indole,SIKJAQJRHWYJAI-UHFFFAOYSA-N
HMDB00739,526.287688281,C24H40N5O8,NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1CCCC(N)C(O)=O)C(O)=O,"InChI=1S/C24H39N5O8/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1",RGXCTRIQQODGIZ,UHFFFAOYSA,O,Isodesmosine,RGXCTRIQQODGIZ-UHFFFAOYSA-O
HMDB00740,342.116211546,C12H22O11,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1",JCQLYHFGKNRPGE,FCVZTGTOSA,N,Lactulose,JCQLYHFGKNRPGE-FCVZTGTOSA-N
HMDB00742,135.035399227,C4H9NO2S,NC(CCS)C(O)=O,"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)",FFFHZYDWPBMWHY,UHFFFAOYSA,N,Homocysteine,FFFHZYDWPBMWHY-UHFFFAOYSA-N
HMDB00743,742.2486227,C38H38N4O12,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(CC(O)=O)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4C)/C(CCC(O)=O)=C3CC(O)=O,"InChI=1S/C38H38N4O12/c1-17-19(3-7-33(43)44)27-13-25-18(2)20(4-8-34(45)46)28(40-25)15-31-24(12-38(53)54)22(6-10-36(49)50)30(42-31)16-32-23(11-37(51)52)21(5-9-35(47)48)29(41-32)14-26(17)39-27/h13-16,40-41H,3-12H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/b25-13-,26-14-,27-13-,28-15-,29-14-,30-16-,31-15-,32-16-",AFHLWIUSJBEMJE,ZMXCOFNRSA,N,Hexacarboxylporphyrin I,AFHLWIUSJBEMJE-ZMXCOFNRSA-N
HMDB00744,134.021523302,C4H6O5,OC(CC(O)=O)C(O)=O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",BJEPYKJPYRNKOW,UHFFFAOYSA,N,Malic acid,BJEPYKJPYRNKOW-UHFFFAOYSA-N
HMDB00745,240.122240398,C10H16N4O3,NCCCC(=O)N[C@@H](CC1=CNC=N1)C(O)=O,"InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1",CCLQKVKJOGVQLU,QMMMGPOBSA,N,Homocarnosine,CCLQKVKJOGVQLU-QMMMGPOBSA-N
HMDB00746,132.07864425,C6H12O3,CC(C)C[C@H](O)C(O)=O,"InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1",LVRFTAZAXQPQHI,YFKPBYRVSA,N,Hydroxyisocaproic acid,LVRFTAZAXQPQHI-YFKPBYRVSA-N
HMDB00747,173.105193351,C8H15NO3,CC(C)CC(=O)N[C@@H](C)C(O)=O,"InChI=1S/C8H15NO3/c1-5(2)4-7(10)9-6(3)8(11)12/h5-6H,4H2,1-3H3,(H,9,10)(H,11,12)/t6-/m0/s1",OJPSNARFDYTAEN,LURJTMIESA,N,Isovalerylalanine,OJPSNARFDYTAEN-LURJTMIESA-N
HMDB00748,166.062994186,C9H10O3,O[C@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1",VOXXWSYKYCBWHO,MRVPVSSYSA,N,L-3-Phenyllactic acid,VOXXWSYKYCBWHO-MRVPVSSYSA-N
HMDB00749,130.02660868,C5H6O4,C\C(=C/C(O)=O)C(O)=O,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+",HNEGQIOMVPPMNR,NSCUHMNNSA,N,Mesaconic acid,HNEGQIOMVPPMNR-NSCUHMNNSA-N
HMDB00750,168.042258744,C8H8O4,OC(C(O)=O)C1=CC(O)=CC=C1,"InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)",OLSDAJRAVOVKLG,UHFFFAOYSA,N,3-Hydroxymandelic acid,OLSDAJRAVOVKLG-UHFFFAOYSA-N
HMDB00751,150.05282343,C5H10O5,OC[C@H](O)[C@@H](O)C(=O)CO,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m0/s1",ZAQJHHRNXZUBTE,WVZVXSGGSA,N,L-Threo-2-pentulose,ZAQJHHRNXZUBTE-WVZVXSGGSA-N
HMDB00752,146.057908808,C6H10O4,CC(CC(O)=O)CC(O)=O,"InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)",XJMMNTGIMDZPMU,UHFFFAOYSA,N,Methylglutaric acid,XJMMNTGIMDZPMU-UHFFFAOYSA-N
HMDB00753,100.088815006,C6H12O,CCCC(=O)CC,"InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3",PFCHFHIRKBAQGU,UHFFFAOYSA,N,3-Hexanone,PFCHFHIRKBAQGU-UHFFFAOYSA-N
HMDB00754,118.062994186,C5H10O3,CC(C)(O)CC(O)=O,"InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)",AXFYFNCPONWUHW,UHFFFAOYSA,N,3-Hydroxyisovaleric acid,AXFYFNCPONWUHW-UHFFFAOYSA-N
HMDB00755,182.057908808,C9H10O4,OC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)",JVGVDSSUAVXRDY,UHFFFAOYSA,N,Hydroxyphenyllactic acid,JVGVDSSUAVXRDY-UHFFFAOYSA-N
HMDB00756,259.178358293,C13H25NO4,CCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1",VVPRQWTYSNDTEA,LLVKDONJSA,N,L-Hexanoylcarnitine,VVPRQWTYSNDTEA-LLVKDONJSA-N
HMDB00757,666.221858406,C24H42O21,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1",BYSGBSNPRWKUQH,UJDJLXLFSA,N,Glycogen,BYSGBSNPRWKUQH-UJDJLXLFSA-N
HMDB00759,188.116092388,C8H16N2O3,CC(C)C[C@H](NC(=O)CN)C(O)=O,"InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1",DKEXFJVMVGETOO,LURJTMIESA,N,Glycyl-L-leucine,DKEXFJVMVGETOO-LURJTMIESA-N
HMDB00760,408.28757439,C24H40O5,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15?,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1",DKPMWHFRUGMUKF,NNFRHCBVSA,N,Hyocholic acid,DKPMWHFRUGMUKF-NNFRHCBVSA-N
HMDB00761,376.297745146,C24H40O3,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17-,18+,19-,20+,21+,23+,24-/m1/s1",SMEROWZSTRWXGI,YPLGJCPNSA,N,Lithocholic acid,SMEROWZSTRWXGI-YPLGJCPNSA-N
HMDB00763,191.058243159,C10H9NO3,OC(=O)CC1=CNC2=CC=C(O)C=C12,"InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)",DUUGKQCEGZLZNO,UHFFFAOYSA,N,5-Hydroxyindoleacetic acid,DUUGKQCEGZLZNO-UHFFFAOYSA-N
HMDB00764,150.068079564,C9H10O2,OC(=O)CCC1=CC=CC=C1,"InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)",XMIIGOLPHOKFCH,UHFFFAOYSA,N,Hydrocinnamic acid,XMIIGOLPHOKFCH-UHFFFAOYSA-N
HMDB00765,182.07903818,C6H14O6,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1",FBPFZTCFMRRESA,KVTDHHQDSA,N,Mannitol,FBPFZTCFMRRESA-KVTDHHQDSA-N
HMDB00766,131.058243159,C5H9NO3,C[C@H](NC(C)=O)C(O)=O,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",KTHDTJVBEPMMGL,VKHMYHEASA,N,N-Acetyl-L-alanine,KTHDTJVBEPMMGL-VKHMYHEASA-N
HMDB00767,244.069536126,C9H12N2O6,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC(=O)NC1=O,"InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1",PTJWIQPHWPFNBW,GBNDHIKLSA,N,Pseudouridine,PTJWIQPHWPFNBW-GBNDHIKLSA-N
HMDB00768,381.127110583,C14H23NO11,CC(O)C(=O)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O,"InChI=1S/C14H23NO11/c1-5(16)12(21)25-4-8(19)10(20)11-9(15-6(2)17)7(18)3-14(24,26-11)13(22)23/h5,7-11,16,18-20,24H,3-4H2,1-2H3,(H,15,17)(H,22,23)/t5?,7-,8+,9+,10+,11+,14-/m0/s1",XXNWSGSWDRDYLR,NVZZXFSUSA,N,N-Acetyl-9-O-lactoylneuraminic acid,XXNWSGSWDRDYLR-NVZZXFSUSA-N
HMDB00770,743.627518701,C43H85NO8,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CCCCCCCCCCCCCCCC,"InChI=1S/C43H85NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(47)44-36(35-51-43-42(50)41(49)40(48)38(34-45)52-43)37(46)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-38,40-43,45-46,48-50H,3-35H2,1-2H3,(H,44,47)/t36-,37-,38+,40+,41-,42+,43+/m0/s1",SYMIJCRAJBNLEL,YPQBUIQASA,N,N-Glycoloylganglioside GM2,SYMIJCRAJBNLEL-YPQBUIQASA-N
HMDB00772,298.28718046,C19H38O2,CCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)",ISYWECDDZWTKFF,UHFFFAOYSA,N,Nonadecanoic acid,ISYWECDDZWTKFF-UHFFFAOYSA-N
HMDB00773,309.105981211,C11H19NO9,[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1",SQVRNKJHWKZAKO,YRMXFSIDSA,N,N-Acetyl-a-neuraminic acid,SQVRNKJHWKZAKO-YRMXFSIDSA-N
HMDB00774,396.197044824,C21H32O5S,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15?,16-,17+,18-,19-,20-,21+/m0/s1",DIJBBUIOWGGQOP,OZIWPBGVSA,N,Pregnenolone sulfate,DIJBBUIOWGGQOP-OZIWPBGVSA-N
HMDB00779,166.062994186,C9H10O3,OC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",VOXXWSYKYCBWHO,UHFFFAOYSA,N,Phenyllactic acid,VOXXWSYKYCBWHO-UHFFFAOYSA-N
HMDB00780,742.2486227,C38H38N4O12,CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CCC(O)=O,"InChI=1S/C38H38N4O12/c1-17-19(3-7-33(43)44)27-14-29-21(5-9-35(47)48)24(12-38(53)54)32(41-29)16-30-22(6-10-36(49)50)23(11-37(51)52)31(42-30)15-28-20(4-8-34(45)46)18(2)26(40-28)13-25(17)39-27/h13-16,40-41H,3-12H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-16-,31-15-,32-16-",VQFYONCZECTVOH,JWLKGTHFSA,N,Porphinehexacarboxylic acid,VQFYONCZECTVOH-JWLKGTHFSA-N
HMDB00781,301.046751773,C8H15NO9S,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O,"InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1",WHCJUIFHMJFEFZ,UIAUGNHASA,N,N-Acetylgalactosamine 4-sulphate,WHCJUIFHMJFEFZ-UIAUGNHASA-N
HMDB00782,314.245709576,C18H34O4,OC(=O)CCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)",BNJOQKFENDDGSC,UHFFFAOYSA,N,Octadecanedioic acid,BNJOQKFENDDGSC-UHFFFAOYSA-N
HMDB00783,131.058243159,C5H9NO3,CCC(=O)NCC(O)=O,"InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)",WOMAZEJKVZLLFE,UHFFFAOYSA,N,Propionylglycine,WOMAZEJKVZLLFE-UHFFFAOYSA-N
HMDB00784,188.104859,C9H16O4,OC(=O)CCCCCCCC(O)=O,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",BDJRBEYXGGNYIS,UHFFFAOYSA,N,Azelaic acid,BDJRBEYXGGNYIS-UHFFFAOYSA-N
HMDB00785,351.116545897,C13H21NO10,CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](OC(C)=O)[C@H](O)CO)C(O)=O,"InChI=1S/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(8(19)4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1",DUOKWMWKFGDUDQ,GRRZBWEESA,N,N-Acetyl-7-O-acetylneuraminic acid,DUOKWMWKFGDUDQ-GRRZBWEESA-N
HMDB00786,152.033425392,C5H4N4O2,O=C1NC(=O)C2=CNNC2=N1,"InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)",HXNFUBHNUDHIGC,UHFFFAOYSA,N,Oxypurinol,HXNFUBHNUDHIGC-UHFFFAOYSA-N
HMDB00787,241.117489371,C9H15N5O3,C[C@H](O)[C@H](O)C1CNC2=C(N1)C(=O)N=C(N)N2,"InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4?,6-/m0/s1",FNKQXYHWGSIFBK,BYAPIUGTSA,N,Sapropterin,FNKQXYHWGSIFBK-BYAPIUGTSA-N
HMDB00788,288.05936537,C10H12N2O8,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C(=O)NC(=O)C=C1C(O)=O,"InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1",FKCRAVPPBFWEJD,XVFCMESISA,N,Orotidine,FKCRAVPPBFWEJD-XVFCMESISA-N
HMDB00789,698.258793456,C37H38N4O10,CC1=C(CCC(O)=O)/C2=C/C3=C(CCC(O)=O)C(CC(O)=O)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(C)=C3CCC(O)=O,"InChI=1S/C37H38N4O10/c1-17-20(4-8-33(42)43)28-14-27-19(3)22(6-10-35(46)47)30(40-27)16-32-24(12-37(50)51)23(7-11-36(48)49)31(41-32)15-29-21(5-9-34(44)45)18(2)26(39-29)13-25(17)38-28/h13-16,39,41H,4-12H2,1-3H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/b25-13-,26-13-,27-14-,28-14-,29-15-,30-16-,31-15-,32-16-",YDYIPLSPVWGSRD,TXUIXYGZSA,N,Pentacarboxylporphyrin I,YDYIPLSPVWGSRD-TXUIXYGZSA-N
HMDB00790,537.512095015,C34H67NO3,CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+",YDNKGFDKKRUKPY,ORIPQNMZSA,N,N-Palmitoylsphingosine,YDNKGFDKKRUKPY-ORIPQNMZSA-N
HMDB00791,287.209658421,C15H29NO4,CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1",CXTATJFJDMJMIY,CYBMUJFWSA,N,L-Octanoylcarnitine,CXTATJFJDMJMIY-CYBMUJFWSA-N
HMDB00792,202.120509064,C10H18O4,OC(=O)CCCCCCCCC(O)=O,"InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)",CXMXRPHRNRROMY,UHFFFAOYSA,N,Sebacic acid,CXMXRPHRNRROMY-UHFFFAOYSA-N
HMDB00793,398.996751361,C15H14INO4,N[C@H](CC1=CC(I)=C(OC2=CC=C(O)C=C2)C=C1)C(O)=O,"InChI=1S/C15H14INO4/c16-12-7-9(8-13(17)15(19)20)1-6-14(12)21-11-4-2-10(18)3-5-11/h1-7,13,18H,8,17H2,(H,19,20)/t13-/m1/s1",SXQVOFSDWXYIRP,CYBMUJFWSA,N,Monoiodothyronine,SXQVOFSDWXYIRP-CYBMUJFWSA-N
HMDB00794,351.116545897,C13H21NO10,CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)COC(C)=O)C(O)=O,"InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1",NYWZBRWKDRMPAS,GRRZBWEESA,N,N-Acetyl-9-O-acetylneuraminic acid,NYWZBRWKDRMPAS-GRRZBWEESA-N
HMDB00795,298.287180464,C19H38O2,CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O,"InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)",PAHGJZDQXIOYTH,UHFFFAOYSA,N,Pristanic acid,PAHGJZDQXIOYTH-UHFFFAOYSA-N
HMDB00796,351.116545897,C13H21NO10,CC(=O)N[C@@H]1[C@H](C[C@](O)(O[C@H]1C(O)C(O)CO)C(O)=O)OC(C)=O,"InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7?,8-,9+,10?,11+,13-/m0/s1",LVBIMVQYUKOENY,FODKYPIKSA,N,N-Acetyl-4-O-acetylneuraminic acid,LVBIMVQYUKOENY-FODKYPIKSA-N
HMDB00797,454.073708604,C13H19N4O12P,NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC(O)=O)C(O)=O,"InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1",NAQGHJTUZRHGAC,ZZZDFHIKSA,N,SAICAR,NAQGHJTUZRHGAC-ZZZDFHIKSA-N
HMDB00798,158.13067982,C9H18O2,CCCCCCC(=O)OCC,"InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3",TVQGDYNRXLTQAP,UHFFFAOYSA,N,Oenanthic ether,TVQGDYNRXLTQAP-UHFFFAOYSA-N
HMDB00801,312.302830524,C20H40O2,CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O,"InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)",RLCKHJSFHOZMDR,UHFFFAOYSA,N,Phytanic acid,RLCKHJSFHOZMDR-UHFFFAOYSA-N
HMDB00802,163.049409807,C6H5N5O,NC1=NC2=NC=CN=C2C(=O)N1,"InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)",HNXQXTQTPAJEJL,UHFFFAOYSA,N,Pterin,HNXQXTQTPAJEJL-UHFFFAOYSA-N
HMDB00803,221.089937217,C8H15NO6,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",OVRNDRQMDRJTHS,FMDGEEDCSA,N,Beta-N-Acetylglucosamine,OVRNDRQMDRJTHS-FMDGEEDCSA-N
HMDB00805,129.042593095,C5H7NO3,OC(=O)C1CCC(=O)N1,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)",ODHCTXKNWHHXJC,UHFFFAOYSA,N,Pyrrolidonecarboxylic acid,ODHCTXKNWHHXJC-UHFFFAOYSA-N
HMDB00806,228.20893014,C14H28O2,CCCCCCCCCCCCCC(O)=O,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",TUNFSRHWOTWDNC,UHFFFAOYSA,N,Myristic acid,TUNFSRHWOTWDNC-UHFFFAOYSA-N
HMDB00807,185.99293909,C3H7O7P,OC(COP(O)(O)=O)C(O)=O,"InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)",OSJPPGNTCRNQQC,UHFFFAOYSA,N,3-Phosphoglyceric acid,OSJPPGNTCRNQQC-UHFFFAOYSA-N
HMDB00808,145.073893223,C6H11NO3,CCCC(=O)NCC(O)=O,"InChI=1S/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)",WPSSBBPLVMTKRN,UHFFFAOYSA,N,N-Butyrylglycine,WPSSBBPLVMTKRN-UHFFFAOYSA-N
HMDB00809,1585.944340123,C77H139N3O30,CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H](O)\C=C\CCCCCCCCCCCCCCC,"InChI=1S/C77H139N3O30/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-56(90)80-49(50(87)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2)45-101-73-65(97)63(95)68(55(44-84)105-73)107-75-66(98)71(110-77(76(99)100)40-51(88)57(78-47(4)85)70(109-77)59(91)52(89)41-81)67(46(3)102-75)106-72-58(79-48(5)86)69(61(93)54(43-83)103-72)108-74-64(96)62(94)60(92)53(42-82)104-74/h36,38,46,49-55,57-75,81-84,87-89,91-98H,6-35,37,39-45H2,1-5H3,(H,78,85)(H,79,86)(H,80,90)(H,99,100)/b38-36+/t46-,49-,50+,51+,52-,53-,54-,55-,57-,58-,59-,60+,61+,62+,63-,64-,65-,66-,67+,68-,69-,70?,71-,72+,73-,74+,75+,77+/m1/s1",WHRNXVBQVRYAKH,MBNVEIDWSA,N,N-Glycoloylganglioside GM1,WHRNXVBQVRYAKH-MBNVEIDWSA-N
HMDB00810,590.289305724,C36H38N4O4,COC(=O)CCC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(=O)OC)=C5C)C(C)=C4C=C)C(C)=C3C=C)=C1C,"InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37,40H,1-2,11-14H2,3-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-",WASRLAPXOHTNAX,MFBGAUBSSA,N,Dimethylprotoporphyrin IX dimethyl ester,WASRLAPXOHTNAX-MFBGAUBSSA-N
HMDB00811,392.292659768,C24H40O4,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1",DGABKXLVXPYZII,PLYQRAMGSA,N,Murocholic acid,DGABKXLVXPYZII-PLYQRAMGSA-N
HMDB00812,175.048072403,C6H9NO5,CC(=O)N[C@@H](CC(O)=O)C(O)=O,"InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1",OTCCIMWXFLJLIA,BYPYZUCNSA,N,N-Acetyl-L-aspartic acid,OTCCIMWXFLJLIA-BYPYZUCNSA-N
HMDB00814,301.046751773,C8H15NO9S,CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1",WJFVEEAIYIOATH,FMDGEEDCSA,N,N-Acetylglucosamine 6-sulfate,WJFVEEAIYIOATH-FMDGEEDCSA-N
HMDB00815,786.238451944,C39H38N4O14,CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CC(O)=O)=C5CCC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CC(O)=O)=C3CCC(O)=O)=C1CCC(O)=O,"InChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-27-20(4-8-35(48)49)23(11-38(54)55)31(42-27)16-29-21(5-9-36(50)51)24(12-39(56)57)32(43-29)15-28-19(3-7-34(46)47)22(10-37(52)53)30(41-28)13-25(17)40-26/h13-16,40,43H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-14-,28-15-,29-16-,30-13-,31-16-,32-15-",QNZLBNVYKHQNCQ,PKXAPQLQSA,N,Pseudouroporphyrin,QNZLBNVYKHQNCQ-PKXAPQLQSA-N
HMDB00816,155.982374404,C2H5O6P,OC(=O)COP(O)(O)=O,"InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",ASCFNMCAHFUBCO,UHFFFAOYSA,N,Phosphoglycolic acid,ASCFNMCAHFUBCO-UHFFFAOYSA-N
HMDB00817,237.086189243,C9H11N5O3,C[C@H](O)[C@@H](O)C1=NC2=C(NC(N)=NC2=O)N=C1,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6+/m0/s1",LHQIJBMDNUYRAM,BBIVZNJYSA,N,Orinapterin,LHQIJBMDNUYRAM-BBIVZNJYSA-N
HMDB00819,183.089543287,C9H13NO3,COC1=CC(=CC=C1O)C(O)CN,"InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3",YNYAYWLBAHXHLL,UHFFFAOYSA,N,Normetanephrine,YNYAYWLBAHXHLL-UHFFFAOYSA-N
HMDB00820,60.057514878,C3H8O,CCCO,"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",BDERNNFJNOPAEC,UHFFFAOYSA,N,Propyl alcohol,BDERNNFJNOPAEC-UHFFFAOYSA-N
HMDB00821,193.073893223,C10H11NO3,OC(=O)CNC(=O)CC1=CC=CC=C1,"InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)",UTYVDVLMYQPLQB,UHFFFAOYSA,N,Phenylacetylglycine,UTYVDVLMYQPLQB-UHFFFAOYSA-N
HMDB00822,168.042258744,C8H8O4,OC(C(O)=O)C1=CC=C(O)C=C1,"InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)",YHXHKYRQLYQUIH,UHFFFAOYSA,N,p-Hydroxymandelic acid,YHXHKYRQLYQUIH-UHFFFAOYSA-N
HMDB00824,217.131408101,C10H19NO4,CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3",UFAHZIUFPNSHSL,UHFFFAOYSA,N,Propionylcarnitine,UFAHZIUFPNSHSL-UHFFFAOYSA-N
HMDB00825,633.211628071,C23H39NO19,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C23H39NO19/c1-7(29)24-13-8(30)2-23(22(38)39,42-19(13)15(35)10(32)4-26)43-20-16(36)12(6-28)40-21(17(20)37)41-18(11(33)5-27)14(34)9(31)3-25/h3,8-21,26-28,30-37H,2,4-6H2,1H3,(H,24,29)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20-,21-,23-/m0/s1",OIZGSVFYNBZVIK,FHHHURIISA,N,3'-Sialyllactose,OIZGSVFYNBZVIK-FHHHURIISA-N
HMDB00826,242.224580204,C15H30O2,CCCCCCCCCCCCCCC(O)=O,"InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)",WQEPLUUGTLDZJY,UHFFFAOYSA,N,Pentadecanoic acid,WQEPLUUGTLDZJY-UHFFFAOYSA-N
HMDB00827,284.271530396,C18H36O2,CCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)",QIQXTHQIDYTFRH,UHFFFAOYSA,N,Stearic acid,QIQXTHQIDYTFRH-UHFFFAOYSA-N
HMDB00828,176.043321376,C5H8N2O5,NC(=O)N[C@@H](CC(O)=O)C(O)=O,"InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1",HLKXYZVTANABHZ,REOHCLBHSA,N,Ureidosuccinic acid,HLKXYZVTANABHZ-REOHCLBHSA-N
HMDB00829,565.543395143,C36H71NO3,CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+",VODZWWMEJITOND,OWWNRXNESA,N,N-Stearoylsphingosine,VODZWWMEJITOND-OWWNRXNESA-N
HMDB00830,267.095416525,C9H17NO8,N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O,"InChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1",CERZMXAJYMMUDR,YOQZMRDMSA,N,Neuraminic acid,CERZMXAJYMMUDR-YOQZMRDMSA-N
HMDB00831,649.637295527,C42H83NO3,CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+",ZJVVOYPTFQEGPH,MHAUTQJVSA,N,N-Lignoceroylsphingosine,ZJVVOYPTFQEGPH-MHAUTQJVSA-N
HMDB00832,201.136493479,C10H19NO3,CCCCCCCC(=O)NCC(O)=O,"InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)",SAVLIIGUQOSOEP,UHFFFAOYSA,N,Capryloylglycine,SAVLIIGUQOSOEP-UHFFFAOYSA-N
HMDB00833,325.100895833,C11H19NO10,OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O,"InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1",FDJKUWYYUZCUJX,AJKRCSPLSA,N,N-Glycolylneuraminic acid,FDJKUWYYUZCUJX-AJKRCSPLSA-N
HMDB00839,310.121846468,C20H14N4,N1C2=CC=C1\C=C1\C=CC(\C=C3\C=CC(\C=C4/N\C(\C=C4)=C/2)=N3)=N1,"InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21-22H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-",JZRYQZJSTWVBBD,CEVVSZFKSA,N,Pentaporphyrin I,JZRYQZJSTWVBBD-CEVVSZFKSA-N
HMDB00840,195.053157781,C9H9NO4,OC(=O)CNC(=O)C1=CC=CC=C1O,"InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)",ONJSZLXSECQROL,UHFFFAOYSA,N,Salicyluric acid,ONJSZLXSECQROL-UHFFFAOYSA-N
HMDB00841,301.046751773,C8H15NO9S,CC(=O)N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)COS(O)(=O)=O,"InChI=1S/C8H15NO9S/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H,15,16,17)/t5-,6+,7+,8-/m0/s1",NHZWETQZLORZIR,OSMVPFSASA,N,N-Acetylgalactosamine 6-sulfate,NHZWETQZLORZIR-OSMVPFSASA-N
HMDB00842,173.047678473,C10H7NO2,OC(=O)C1=NC2=C(C=CC=C2)C=C1,"InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)",LOAUVZALPPNFOQ,UHFFFAOYSA,N,Quinaldic acid,LOAUVZALPPNFOQ-UHFFFAOYSA-N
HMDB00843,381.003566329,C8H15NO12S2,CC(=O)N[C@H]1C(O)O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1O,"InChI=1S/C8H15NO12S2/c1-3(10)9-5-6(11)7(21-23(16,17)18)4(20-8(5)12)2-19-22(13,14)15/h4-8,11-12H,2H2,1H3,(H,9,10)(H,13,14,15)(H,16,17,18)/t4-,5-,6-,7+,8?/m1/s1",KWDXXNWKTRGMDM,IYWGXSQHSA,N,"N-Acetylgalactosamine 4,6-disulfate",KWDXXNWKTRGMDM-IYWGXSQHSA-N
HMDB00845,253.081103865,C9H11N5O4,NC1=NC2=C(N=C(C=N2)C(O)C(O)CO)C(=O)N1,"InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)",BMQYVXCPAOLZOK,UHFFFAOYSA,N,Neopterin,BMQYVXCPAOLZOK-UHFFFAOYSA-N
HMDB00847,158.13067982,C9H18O2,CCCCCCCCC(O)=O,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",FBUKVWPVBMHYJY,UHFFFAOYSA,N,Pelargonic acid,FBUKVWPVBMHYJY-UHFFFAOYSA-N
HMDB00848,427.366159061,C25H49NO4,CCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h23H,5-22H2,1-4H3",FNPHNLNTJNMAEE,UHFFFAOYSA,N,Stearoylcarnitine,FNPHNLNTJNMAEE-UHFFFAOYSA-N
HMDB00849,164.068473494,C6H12O5,C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1",SHZGCJCMOBCMKK,JFNONXLTSA,N,Rhamnose,SHZGCJCMOBCMKK-JFNONXLTSA-N
HMDB00851,428.190713892,C18H28N4O8,N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C([O-])=O)=CC(O)=C1C[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)/t10-,12+,13+,14+/m1/s1",LCYXYLLJXMAEMT,SAXRGWBVSA,N,Pyridinoline,LCYXYLLJXMAEMT-SAXRGWBVSA-N
HMDB00852,414.38616623,C29H50O,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",KZJWDPNRJALLNS,VJSFXXLFSA,N,Beta-Sitosterol,KZJWDPNRJALLNS-VJSFXXLFSA-N
HMDB00853,221.089937217,C8H15NO6,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1",OVRNDRQMDRJTHS,JAJWTYFOSA,N,N-Acetyl-b-D-galactosamine,OVRNDRQMDRJTHS-JAJWTYFOSA-N
HMDB00854,174.064056818,C6H10N2O4,OC(=O)CC[C@H](NC=N)C(O)=O,"InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1",NRXIKWMTVXPVEF,BYPYZUCNSA,N,Formiminoglutamic acid,NRXIKWMTVXPVEF-BYPYZUCNSA-N
HMDB00855,255.0980966,C11H15N2O5,NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1",JLEBZPBDRKPWTD,TURQNECASA,O,Nicotinamide riboside,JLEBZPBDRKPWTD-TURQNECASA-O
HMDB00856,217.106255983,C8H15N3O4,CC(=O)NC(CCCNC(N)=O)C(O)=O,"InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)",WMQMIOYQXNRROC,UHFFFAOYSA,N,N-a-Acetylcitrulline,WMQMIOYQXNRROC-UHFFFAOYSA-N
HMDB00857,160.073558872,C7H12O4,OC(=O)CCCCCC(O)=O,"InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)",WLJVNTCWHIRURA,UHFFFAOYSA,N,Pimelic acid,WLJVNTCWHIRURA-UHFFFAOYSA-N
HMDB00858,146.057908808,C6H10O4,COC(=O)CCCC(O)=O,"InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)",IBMRTYCHDPMBFN,UHFFFAOYSA,N,Monomethyl glutaric acid,IBMRTYCHDPMBFN-UHFFFAOYSA-N
HMDB00859,193.073893223,C10H11NO3,COC(=O)CNC(=O)C1=CC=CC=C1,"InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)",XTKVNQKOTKPCKM,UHFFFAOYSA,N,Methyl hippurate,XTKVNQKOTKPCKM-UHFFFAOYSA-N
HMDB00860,207.089543287,C11H13NO3,OC(=O)CNC(=O)CCC1=CC=CC=C1,"InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)",YEIQSAXUPKPPBN,UHFFFAOYSA,N,Phenylpropionylglycine,YEIQSAXUPKPPBN-UHFFFAOYSA-N
HMDB00863,60.057514878,C3H8O,CC(C)O,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",KFZMGEQAYNKOFK,UHFFFAOYSA,N,Isopropyl alcohol,KFZMGEQAYNKOFK-UHFFFAOYSA-N
HMDB00865,408.28757439,C24H40O5,[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(O)C(O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21?,22?,23-,24-/m1/s1",DKPMWHFRUGMUKF,JDDNAIEOSA,N,Muricholic acid,DKPMWHFRUGMUKF-JDDNAIEOSA-N
HMDB00866,223.084457909,C11H13NO4,CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1",CAHKINHBCWCHCF,JTQLQIEISA,N,N-Acetyl-L-tyrosine,CAHKINHBCWCHCF-JTQLQIEISA-N
HMDB00867,166.047738052,C5H10O6,OC[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O,"InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4-/m1/s1",QXKAIJAYHKCRRA,BXXZVTAOSA,N,Ribonic acid,QXKAIJAYHKCRRA-BXXZVTAOSA-N
HMDB00868,230.01915384,C5H11O8P,OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1",FNZLKVNUWIIPSJ,RFZPGFLSSA,N,Xylulose 5-phosphate,FNZLKVNUWIIPSJ-RFZPGFLSSA-N
HMDB00869,942.3534817,C48H54N4O16,COC(=O)CCC1=C(CCC(=O)OC)/C2=C/C3=N/C(=C\C4=C(C(=O)OC)C(CCC(=O)OC)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(=O)OC)=C4CC(=O)OC)/C(CCC(=O)OC)=C3CC(=O)OC,"InChI=1S/C48H54N4O16/c1-61-40(53)14-9-25-26(10-15-41(54)62-2)33-22-37-31(20-46(59)67-7)28(12-17-43(56)64-4)35(51-37)24-39-47(48(60)68-8)29(13-18-44(57)65-5)36(52-39)23-38-30(19-45(58)66-6)27(11-16-42(55)63-3)34(50-38)21-32(25)49-33/h21-24,49,52H,9-20H2,1-8H3/b32-21-,33-22-,34-21-,35-24-,36-23-,37-22-,38-23-,39-24-",JXFYRPWVBHUVFB,BGKHBZPASA,N,Uroporphyrin II,JXFYRPWVBHUVFB-BGKHBZPASA-N
HMDB00870,111.079647303,C5H9N3,NCCC1=CNC=N1,"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)",NTYJJOPFIAHURM,UHFFFAOYSA,N,Histamine,NTYJJOPFIAHURM-UHFFFAOYSA-N
HMDB00871,386.354866094,C27H46O,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1",PESKGJQREUXSRR,UXIWKSIVSA,N,5alpha-Cholestanone,PESKGJQREUXSRR-UXIWKSIVSA-N
HMDB00872,258.18310932,C14H26O4,OC(=O)CCCCCCCCCCCCC(O)=O,"InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)",HQHCYKULIHKCEB,UHFFFAOYSA,N,Tetradecanedioic acid,HQHCYKULIHKCEB-UHFFFAOYSA-N
HMDB00873,124.0524295,C7H8O2,CC1=CC=C(O)C(O)=C1,"InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3",ZBCATMYQYDCTIZ,UHFFFAOYSA,N,4-Methylcatechol,ZBCATMYQYDCTIZ-UHFFFAOYSA-N
HMDB00874,499.296758867,C26H45NO6S,[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)CC2C[C@H](O)CC[C@]12C,"InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17?,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1",BHTRKEVKTKCXOH,VSHSPWMTSA,N,Tauroursodeoxycholic acid,BHTRKEVKTKCXOH-VSHSPWMTSA-N
HMDB00875,137.047678473,C7H7NO2,C[N+]1=CC(=CC=C1)C([O-])=O,"InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3",WWNNZCOKKKDOPX,UHFFFAOYSA,N,Trigonelline,WWNNZCOKKKDOPX-UHFFFAOYSA-N
HMDB00876,384.33921603,C27H44O,CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26?,27-/m1/s1",QYSXJUFSXHHAJI,QWSSABAFSA,N,Vitamin D3,QYSXJUFSXHHAJI-QWSSABAFSA-N
HMDB00877,253.081103865,C9H11N5O4,NC1=NC(=O)C2=C(N1)N=CC(=N2)[C@H](O)[C@@H](O)CO,"InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m0/s1",BMQYVXCPAOLZOK,NJGYIYPDSA,N,Umanopterin,BMQYVXCPAOLZOK-NJGYIYPDSA-N
HMDB00878,396.33921603,C28H44O,CC(C)[C@@H](C)\C=C\[C@@H](C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24?,25?,26?,27-,28+/m0/s1",DNVPQKQSNYMLRS,KQYMERMZSA,N,Ergosterol,DNVPQKQSNYMLRS-KQYMERMZSA-N
HMDB00879,334.250794954,C21H34O3,[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1",CYKYBWRSLLXBOW,GDYGHMJCSA,N,Tetrahydrodeoxycorticosterone,CYKYBWRSLLXBOW-GDYGHMJCSA-N
HMDB00881,205.037507717,C10H7NO4,OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1,"InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)",FBZONXHGGPHHIY,UHFFFAOYSA,N,Xanthurenic acid,FBZONXHGGPHHIY-UHFFFAOYSA-N
HMDB00883,117.078978601,C5H11NO2,CC(C)[C@H](N)C(O)=O,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",KZSNJWFQEVHDMF,BYPYZUCNSA,N,L-Valine,KZSNJWFQEVHDMF-BYPYZUCNSA-N
HMDB00884,258.08518619,C10H14N2O6,CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O,"InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1",DWRXFEITVBNRMK,JXOAFFINSA,N,Ribothymidine,DWRXFEITVBNRMK-JXOAFFINSA-N
HMDB00885,624.584531676,C43H76O2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C,"InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1",BBJQPKLGPMQWBU,JADYGXMDSA,N,CE(16:0),BBJQPKLGPMQWBU-JADYGXMDSA-N
HMDB00887,651.146150372,C34H32ClFeN4O4,[Cl-].[Fe+3].CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C([N-]4)/C=C4\N=C(\C=C\1/[N-]\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O,"InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;",BTIJJDXEELBZFS,HXFTUNQESA,K,Hemin,BTIJJDXEELBZFS-HXFTUNQESA-K
HMDB00888,216.136159128,C11H20O4,OC(=O)CCCCCCCCCC(O)=O,"InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)",LWBHHRRTOZQPDM,UHFFFAOYSA,N,Undecanedioic acid,LWBHHRRTOZQPDM-UHFFFAOYSA-N
HMDB00889,515.291673489,C26H45NO7S,[H][C@@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@H](CCC3C1[C@@H](O)C2)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19?,20?,21+,22+,24?,25+,26-/m1/s1",WBWWGRHZICKQGZ,TZLUGCQQSA,N,Tauroursocholic acid,WBWWGRHZICKQGZ-TZLUGCQQSA-N
HMDB00890,830.228281188,C40H38N4O16,OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=C\C4=C(CC(O)=O)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CC(O)=O)=C4CCC(O)=O)/C(CCC(O)=O)=C3CC(O)=O,"InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)23(11-39(57)58)31(43-27)16-32-24(12-40(59)60)20(4-8-36(51)52)28(44-32)15-30-22(10-38(55)56)18(2-6-34(47)48)26(42-30)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",AJLMJIKELQBUTG,UJJXFSCMSA,N,Uroporphyrin IV,AJLMJIKELQBUTG-UJJXFSCMSA-N
HMDB00892,102.068079564,C5H10O2,CCCCC(O)=O,"InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)",NQPDZGIKBAWPEJ,UHFFFAOYSA,N,Valeric acid,NQPDZGIKBAWPEJ-UHFFFAOYSA-N
HMDB00893,174.089208936,C8H14O4,OC(=O)CCCCCCC(O)=O,"InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)",TYFQFVWCELRYAO,UHFFFAOYSA,N,Suberic acid,TYFQFVWCELRYAO-UHFFFAOYSA-N
HMDB00894,143.058243159,C6H9NO3,OC(=O)CNC(=O)CC=C,"InChI=1S/C6H9NO3/c1-2-3-5(8)7-4-6(9)10/h2H,1,3-4H2,(H,7,8)(H,9,10)",UKISAGFGRDHYFO,UHFFFAOYSA,N,Vinylacetylglycine,UKISAGFGRDHYFO-UHFFFAOYSA-N
HMDB00895,146.118103761,C7H16NO2,CC(=O)OCC[N+](C)(C)C,"InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1",OIPILFWXSMYKGL,UHFFFAOYSA,N,Acetylcholine,OIPILFWXSMYKGL-UHFFFAOYSA-N
HMDB00896,499.296758867,C26H45NO6S,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1",AWDRATDZQPNJFN,VAYUFCLWSA,N,Taurodeoxycholic acid,AWDRATDZQPNJFN-VAYUFCLWSA-N
HMDB00897,165.065059871,C6H7N5O,CN1C=NC2=C1C(=O)N=C(N)N2,"InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)",FZWGECJQACGGTI,UHFFFAOYSA,N,7-Methylguanine,FZWGECJQACGGTI-UHFFFAOYSA-N
HMDB00898,125.095297367,C6H11N3,CN1C=NC(CCN)=C1,"InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3",FHQDWPCFSJMNCT,UHFFFAOYSA,N,1-Methylhistamine,FHQDWPCFSJMNCT-UHFFFAOYSA-N
HMDB00899,288.20893014,C19H28O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1",RAJWOBJTTGJROA,WZNAKSSCSA,N,Androstanedione,RAJWOBJTTGJROA-WZNAKSSCSA-N
HMDB00900,396.33921603,C28H44O,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1",MECHNRXZTMCUDQ,RKHKHRCZSA,N,Ergocalciferol,MECHNRXZTMCUDQ-RKHKHRCZSA-N
HMDB00901,320.147117744,C14H24O8,CCCC(CCC)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C14H24O8/c1-3-5-7(6-4-2)13(20)22-14-10(17)8(15)9(16)11(21-14)12(18)19/h7-11,14-17H,3-6H2,1-2H3,(H,18,19)/t8-,9-,10+,11-,14-/m0/s1",XXKSYIHWRBBHIC,JVWRJRKNSA,N,Valproic acid glucuronide,XXKSYIHWRBBHIC-JVWRJRKNSA-N
HMDB00902,664.116946663,C21H28N7O14P2,NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,"InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",BAWFJGJZGIEFAR,NNYOXOHSSA,O,NAD,BAWFJGJZGIEFAR-NNYOXOHSSA-O
HMDB00903,364.224974134,C21H32O5,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14-,15-,18+,19-,20-,21-/m0/s1",SYGWGHVTLUBCEM,SDYDLROXSA,N,Tetrahydrocortisone,SYGWGHVTLUBCEM-SDYDLROXSA-N
HMDB00904,175.095691297,C6H13N3O3,N[C@@H](CCCNC(N)=O)C(O)=O,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",RHGKLRLOHDJJDR,BYPYZUCNSA,N,Citrulline,RHGKLRLOHDJJDR-BYPYZUCNSA-N
HMDB00905,331.068169717,C10H14N5O6P,NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,"InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1",KHWCHTKSEGGWEX,RRKCRQDMSA,N,Deoxyadenosine monophosphate,KHWCHTKSEGGWEX-RRKCRQDMSA-N
HMDB00906,59.073499293,C3H9N,CN(C)C,InChI=1S/C3H9N/c1-4(2)3/h1-3H3,GETQZCLCWQTVFV,UHFFFAOYSA,N,Trimethylamine,GETQZCLCWQTVFV-UHFFFAOYSA-N
HMDB00907,456.254559702,C24H40O6S,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@H](CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C24H40O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29)/t15-,16?,17-,18+,19-,20+,21+,23+,24-/m1/s1",AXDXVEYHEODSPN,YPLGJCPNSA,N,Sulfolithocholic acid,AXDXVEYHEODSPN-YPLGJCPNSA-N
HMDB00908,388.370516158,C27H48O,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1",QYIXCDOBOSTCEI,QCYZZNICSA,N,5alpha-Cholestanol,QYIXCDOBOSTCEI-QCYZZNICSA-N
HMDB00909,158.094294314,C8H14O3,O[C@H]1CC[C@H](CC(O)=O)CC1,"InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7-",ALTAAUJNHYWOGS,LJGSYFOKSA,N,trans-4-Hydroxycyclohexylacetic acid,ALTAAUJNHYWOGS-LJGSYFOKSA-N
HMDB00910,214.193280076,C13H26O2,CCCCCCCCCCCCC(O)=O,"InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",SZHOJFHSIKHZHA,UHFFFAOYSA,N,Tridecanoic acid,SZHOJFHSIKHZHA-UHFFFAOYSA-N
HMDB00912,383.107712545,C14H17N5O8,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C12,"InChI=1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5-,6+,9+,10+,13+/m0/s1",VKGZCEJTCKHMRL,VWJPMABRSA,N,Succinyladenosine,VKGZCEJTCKHMRL-VWJPMABRSA-N
HMDB00913,212.068473494,C10H12O5,COC1=CC(CC(O)C(O)=O)=CC=C1O,"InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)",SVYIZYRTOYHQRE,UHFFFAOYSA,N,Vanillactic acid,SVYIZYRTOYHQRE-UHFFFAOYSA-N
HMDB00916,830.228281188,C40H38N4O16,OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CC(O)=O)=C4CCC(O)=O)/C(CCC(O)=O)=C3CC(O)=O,"InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",VZVFNUAIRVUCEW,UJJXFSCMSA,N,Uroporphyrin III,VZVFNUAIRVUCEW-UJJXFSCMSA-N
HMDB00917,408.28757439,C24H40O5,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ,UTLSPDKDSA,N,Ursocholic acid,BHQCQFFYRZLCQQ-UTLSPDKDSA-N
HMDB00918,650.60018174,C45H78O2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1,"InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1",RJECHNNFRHZQKU,RMUVNZEASA,N,CE(18:1(9Z)),RJECHNNFRHZQKU-RMUVNZEASA-N
HMDB00920,330.219494826,C21H30O3,[H][C@@]12CCC(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16?,17-,18+,19+,20-,21+/m0/s1",BFZHCUBIASXHPK,ODYOLWGQSA,N,11a-Hydroxyprogesterone,BFZHCUBIASXHPK-ODYOLWGQSA-N
HMDB00921,384.33921603,C27H44O,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1",NYOXRYYXRWJDKP,GYKMGIIDSA,N,Cholestenone,NYOXRYYXRWJDKP-GYKMGIIDSA-N
HMDB00922,515.291673489,C26H45NO7S,[H][C@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@H](CCC3C1[C@H](O)C2)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16-,17-,18-,19?,20?,21-,22+,24?,25+,26-/m1/s1",WBWWGRHZICKQGZ,ZKUTWGMOSA,N,Taurallocholic acid,WBWWGRHZICKQGZ-ZKUTWGMOSA-N
HMDB00925,75.068413915,C3H9NO,C[N+](C)(C)[O-],"InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3",UYPYRKYUKCHHIB,UHFFFAOYSA,N,Trimethylamine N-oxide,UYPYRKYUKCHHIB-UHFFFAOYSA-N
HMDB00926,79.042199165,C5H5N,C1=CC=NC=C1,InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,JUJWROOIHBZHMG,UHFFFAOYSA,N,Pyridine,JUJWROOIHBZHMG-UHFFFAOYSA-N
HMDB00927,159.089543287,C7H13NO3,CCCCC(=O)NCC(O)=O,"InChI=1S/C7H13NO3/c1-2-3-4-6(9)8-5-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)",NYZBWOSRZJKQAI,UHFFFAOYSA,N,Valerylglycine,NYZBWOSRZJKQAI-UHFFFAOYSA-N
HMDB00929,204.089877638,C11H12N2O2,N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",QIVBCDIJIAJPQS,VIFPVBQESA,N,L-Tryptophan,QIVBCDIJIAJPQS-VIFPVBQESA-N
HMDB00930,148.0524295,C9H8O2,OC(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",WBYWAXJHAXSJNI,VOTSOKGWSA,N,trans-Cinnamic acid,WBYWAXJHAXSJNI-VOTSOKGWSA-N
HMDB00932,515.291673489,C26H45NO7S,[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)[C@H](CCC3C1[C@@H](O)[C@H]2O)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18?,19?,20+,22?,23+,24-,25-,26-/m1/s1",XSOLDPYUICCHJX,OEYGYFRSSA,N,Tauro-b-muricholic acid,XSOLDPYUICCHJX-OEYGYFRSSA-N
HMDB00933,228.136159128,C12H20O4,OC(=O)CCCCCCCC\C=C\C(O)=O,"InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+",MAZWDMBCPDUFDJ,VQHVLOKHSA,N,Traumatic acid,MAZWDMBCPDUFDJ-VQHVLOKHSA-N
HMDB00934,687.038384033,C17H27N3O20P2S,CC(=O)C(=O)[C@H](N)[C@@H](O)[C@@H](OS(=O)(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O)[C@H](O)CO,"InChI=1S/C17H27N3O20P2S/c1-6(22)11(25)10(18)12(26)14(7(23)4-21)38-43(34,35)39-15-8(5-36-42(32,33)40-41(29,30)31)37-16(13(15)27)20-3-2-9(24)19-17(20)28/h2-3,7-8,10,12-16,21,23,26-27H,4-5,18H2,1H3,(H,32,33)(H,19,24,28)(H2,29,30,31)/t7-,8-,10+,12-,13-,14+,15-,16-/m1/s1",MVHRGUAARHOHCJ,JANKDUHBSA,N,Uridine diphosphate acetylgalactosamine 4-sulfate,MVHRGUAARHOHCJ-JANKDUHBSA-N
HMDB00935,580.034284934,C15H22N2O18P2,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1",HDYANYHVCAPMJV,LXQIFKJMSA,N,Uridine diphosphate glucuronic acid,HDYANYHVCAPMJV-LXQIFKJMSA-N
HMDB00936,830.228281188,C40H38N4O16,OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CC(O)=O)=C4CCC(O)=O)/C(CC(O)=O)=C3CCC(O)=O,"InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-",DAFUFNRZWDWXJP,JRHDEHKPSA,N,Uroporphyrin I,DAFUFNRZWDWXJP-JRHDEHKPSA-N
HMDB00937,412.370516166,C29H48O,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@@H](CC)C(C)C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",HCXVJBMSMIARIN,PHZDYDNGSA,N,Stigmasterol,HCXVJBMSMIARIN-PHZDYDNGSA-N
HMDB00939,384.12158847,C14H20N6O5S,N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O,"InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1",ZJUKTBDSGOFHSH,WFMPWKQPSA,N,S-Adenosylhomocysteine,ZJUKTBDSGOFHSH-WFMPWKQPSA-N
HMDB00940,118.02660868,C4H6O4,O[C@H]1COC(=O)[C@@H]1O,"InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3+/m0/s1",SGMJBNSHAZVGMC,STHAYSLISA,N,Threonolactone,SGMJBNSHAZVGMC-STHAYSLISA-N
HMDB00941,370.359951472,C27H46,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CCCC[C@]12C,"InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1",DTGDZMYNKLTSKC,HKQCOZBKSA,N,Cholest-5-ene,DTGDZMYNKLTSKC-HKQCOZBKSA-N
HMDB00942,257.112403993,C9H15N5O4,NC1=NC(=O)C2=C(NCC(N2)C(O)C(O)CO)N1,"InChI=1S/C9H15N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h3-4,6,12,15-17H,1-2H2,(H4,10,11,13,14,18)",XHIXPVCTDRNTTC,UHFFFAOYSA,N,Tetrahydroneopterin,XHIXPVCTDRNTTC-UHFFFAOYSA-N
HMDB00943,136.037173366,C4H8O5,OC[C@@H](O)[C@H](O)C(O)=O,"InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m1/s1",JPIJQSOTBSSVTP,GBXIJSLDSA,N,Threonic acid,JPIJQSOTBSSVTP-GBXIJSLDSA-N
HMDB00944,340.334130652,C22H44O2,CCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)",UKMSUNONTOPOIO,UHFFFAOYSA,N,Behenic acid,UKMSUNONTOPOIO-UHFFFAOYSA-N
HMDB00946,392.292659768,C24H40O4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1",RUDATBOHQWOJDD,UZVSRGJWSA,N,Ursodeoxycholic acid,RUDATBOHQWOJDD-UZVSRGJWSA-N
HMDB00947,186.161979948,C11H22O2,CCCCCCCCCCC(O)=O,"InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)",ZDPHROOEEOARMN,UHFFFAOYSA,N,Undecanoic acid,ZDPHROOEEOARMN-UHFFFAOYSA-N
HMDB00949,366.240624198,C21H34O5,C[C@]12C[C@H](O)C3C(CCC4C[C@H](O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO,"InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12?,13-,14?,15?,16+,18?,19+,20+,21+/m1/s1",AODPIQQILQLWGS,OBRSLYEHSA,N,Tetrahydrocortisol,AODPIQQILQLWGS-OBRSLYEHSA-N
HMDB00950,635.621645463,C41H81NO3,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45)/b36-34+/t39-,40+/m0/s1",NAJHAHQNQCNWOP,PUYNVXOJSA,N,Cer(d18:1/23:0),NAJHAHQNQCNWOP-PUYNVXOJSA-N
HMDB00951,499.296758867,C26H45NO6S,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1",BHTRKEVKTKCXOH,BJLOMENOSA,N,Taurochenodesoxycholic acid,BHTRKEVKTKCXOH-BJLOMENOSA-N
HMDB00953,231.110672659,C10H17NO5,OC(=O)CCCCCCC(=O)NCC(O)=O,"InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16)",HXATVKDSYDWTCX,UHFFFAOYSA,N,Suberylglycine,HXATVKDSYDWTCX-UHFFFAOYSA-N
HMDB00954,194.057908808,C10H10O4,COC1=C(O)C=CC(\C=C\C(O)=O)=C1,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",KSEBMYQBYZTDHS,HWKANZROSA,N,trans-Ferulic acid,KSEBMYQBYZTDHS-HWKANZROSA-N
HMDB00955,194.057908808,C10H10O4,COC1=C(O)C=C(\C=C\C(O)=O)C=C1,"InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",QURCVMIEKCOAJU,HWKANZROSA,N,Isoferulic acid,QURCVMIEKCOAJU-HWKANZROSA-N
HMDB00956,150.016437924,C4H6O6,O[C@H]([C@@H](O)C(O)=O)C(O)=O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1",FEWJPZIEWOKRBE,JCYAYHJZSA,N,Tartaric acid,FEWJPZIEWOKRBE-JCYAYHJZSA-N
HMDB00957,110.036779436,C6H6O2,OC1=CC=CC=C1O,"InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",YCIMNLLNPGFGHC,UHFFFAOYSA,N,Pyrocatechol,YCIMNLLNPGFGHC-UHFFFAOYSA-N
HMDB00958,174.016437924,C6H6O6,OC(=O)C\C(=C/C(O)=O)C(O)=O,"InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+",GTZCVFVGUGFEME,HNQUOIGGSA,N,trans-Aconitic acid,GTZCVFVGUGFEME-HNQUOIGGSA-N
HMDB00959,157.073893223,C7H11NO3,C\C=C(/C)C(=O)NCC(O)=O,"InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+",WRUSVQOKJIDBLP,HWKANZROSA,N,Tiglylglycine,WRUSVQOKJIDBLP-HWKANZROSA-N
HMDB00960,427.029414749,C10H15N5O10P2,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,"InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",CIKGWCTVFSRMJU,KVQBGUIXSA,N,dGDP,CIKGWCTVFSRMJU-KVQBGUIXSA-N
HMDB00961,382.131027238,C15H28O7P2,[H]OP(=O)(O[H])OP(=O)(O[H])OC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+",VWFJDQUYCIWHTN,YFVJMOTDSA,N,Farnesyl pyrophosphate,VWFJDQUYCIWHTN-YFVJMOTDSA-N
HMDB00962,205.059505487,C8H15NOS2,NC(=O)CCCCC1CCSS1,"InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)",FCCDDURTIIUXBY,UHFFFAOYSA,N,Lipoamide,FCCDDURTIIUXBY-UHFFFAOYSA-N
HMDB00963,260.011959972,C6H13O7PS,CSCC1OC(OP(O)(O)=O)[C@H](O)[C@@H]1O,"InChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3?,4-,5-,6?/m1/s1",JTFITTQBRJDSTL,WATOWXBHSA,N,5-Methylthioribose 1-phosphate,JTFITTQBRJDSTL-WATOWXBHSA-N
HMDB00965,109.019749163,C2H7NO2S,NCCS(O)=O,"InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)",VVIUBCNYACGLLV,UHFFFAOYSA,N,Hypotaurine,VVIUBCNYACGLLV-UHFFFAOYSA-N
HMDB00968,339.996048936,C6H14O12P2,O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1",PELZSPZCXGTUMR,RTPHHQFDSA,N,"1D-Myo-inositol 1,4-bisphosphate",PELZSPZCXGTUMR-RTPHHQFDSA-N
HMDB00969,444.28757439,C27H40O5,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)C[C@H]1C[C@@](C)(O)C(=O)O1,"InChI=1S/C27H40O5/c1-16(12-21-15-27(4,31)25(30)32-21)22-9-10-23-18(6-5-11-26(22,23)3)7-8-19-13-20(28)14-24(29)17(19)2/h7-8,16,20-24,28-29,31H,2,5-6,9-15H2,1,3-4H3/b18-7+,19-8-/t16-,20-,21+,22-,23+,24+,26-,27-/m1/s1",WMYIVSWWSRCZFA,RWVJFQLJSA,N,"1,25-Dihydroxyvitamin D3-26,23-lactone",WMYIVSWWSRCZFA-RWVJFQLJSA-N
HMDB00972,473.165896125,C20H23N7O7,NC1=NC(=O)C2=C(NCC(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t11?,13-/m0/s1",AUFGTPPARQZWDO,YUZLPWPTSA,N,10-Formyltetrahydrofolate,AUFGTPPARQZWDO-YUZLPWPTSA-N
HMDB00973,95.961245032,HO4P,OP([O-])([O-])=O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2",NBIIXXVUZAFLBC,UHFFFAOYSA,L,Hydrogen phosphate,NBIIXXVUZAFLBC-UHFFFAOYSA-L
HMDB00975,342.116211546,C12H22O11,OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1",HDTRYLNUVZCQOY,LIZSDCNHSA,N,Trehalose,HDTRYLNUVZCQOY-LIZSDCNHSA-N
HMDB00977,576.41786028,C38H56O4,COC1=CC(=CC(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C1O)C(O)=O,"InChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/b29-16+,30-18+,31-20+,32-22+,33-24+",YSZSVGFMAJXGMQ,FRICUITQSA,N,3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid,YSZSVGFMAJXGMQ-FRICUITQSA-N
HMDB00978,207.053157781,C10H9NO4,NC1=C(C=CC=C1)C(=O)CC(=O)C(O)=O,"InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)",CAOVWYZQMPNAFJ,UHFFFAOYSA,N,"4-(2-Aminophenyl)-2,4-dioxobutanoic acid",CAOVWYZQMPNAFJ-UHFFFAOYSA-N
HMDB00980,494.995745159,C9H16N5O13P3,NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(=O)N1,"InChI=1S/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1",DGGUVLXVLHAAGT,XINAWCOVSA,N,Dihydroneopterin triphosphate,DGGUVLXVLHAAGT-XINAWCOVSA-N
HMDB00981,396.33921603,C28H44O,[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,"InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,27-,28+/m1/s1",DBPZYKHQDWKORQ,SINUOACOSA,N,"4a-Methyl-5a-cholesta-8,24-dien-3-one",DBPZYKHQDWKORQ-SINUOACOSA-N
HMDB00982,257.101170605,C10H15N3O5,CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N=C1N,"InChI=1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1",ZAYHVCMSTBRABG,JXOAFFINSA,N,5-Methylcytidine,ZAYHVCMSTBRABG-JXOAFFINSA-N
HMDB00985,207.075155551,C8H17NOS2,OC(=N)CCCCC(S)CCS,"InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)",VLYUGYAKYZETRF,UHFFFAOYSA,N,Dihydrolipoamide,VLYUGYAKYZETRF-UHFFFAOYSA-N
HMDB00988,355.155234322,C14H23N6O3S,C[S+](CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/t8-,10-,11-,14-,24?/m1/s1",ZUNBITIXDCPNSD,LSRJEVITSA,N,S-Adenosylmethioninamine,ZUNBITIXDCPNSD-LSRJEVITSA-N
HMDB00990,44.02621475,C2H4O,CC=O,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",IKHGUXGNUITLKF,UHFFFAOYSA,N,Acetaldehyde,IKHGUXGNUITLKF-UHFFFAOYSA-N
HMDB00991,159.125928793,C8H17NO2,CCCCCCC(N)C(O)=O,"InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)",AKVBCGQVQXPRLD,UHFFFAOYSA,N,DL-2-Aminooctanoic acid,AKVBCGQVQXPRLD-UHFFFAOYSA-N
HMDB00992,179.058243159,C9H9NO3,OC(=O)CCC(=O)C1=CC=CN=C1,"InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)",JGSUNMCABQUBOY,UHFFFAOYSA,N,3-Succinoylpyridine,JGSUNMCABQUBOY-UHFFFAOYSA-N
HMDB00994,260.029718526,C6H13O9P,OC[C@H]1O[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6+/m1/s1",HXXFSFRBOHSIMQ,PQMKYFCFSA,N,Dolichyl phosphate D-mannose,HXXFSFRBOHSIMQ-PQMKYFCFSA-N
HMDB00995,312.20893014,C21H28O2,[H][C@@]12CC=C(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1",VRRHHTISESGZFN,RKFFNLMFSA,N,16-Dehydroprogesterone,VRRHHTISESGZFN-RKFFNLMFSA-N
HMDB00996,153.009578407,C3H7NO4S,N[C@@H](CS(=O)=O)C(O)=O,"InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2,9H,1,4H2,(H,5,6)/t2-/m0/s1",WVMUCBHSEHBMKA,REOHCLBHSA,N,3-Sulfinoalanine,WVMUCBHSEHBMKA-REOHCLBHSA-N
HMDB00998,466.989597149,C9H16N3O13P3,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,"InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",RGWHQCVHVJXOKC,SHYZEUOFSA,N,dCTP,RGWHQCVHVJXOKC-SHYZEUOFSA-N
HMDB00999,313.067501015,C8H16N3O8P,O[C@H]1[C@@H](O)[C@H](NC(=N)CNC=O)O[C@@H]1COP(O)(O)=O,"InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1",PMCOGCVKOAOZQM,XVFCMESISA,N,Phosphoribosylformylglycineamidine,PMCOGCVKOAOZQM-XVFCMESISA-N
HMDB01000,388.007282324,C9H14N2O11P2,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",QHWZTVCCBMIIKE,SHYZEUOFSA,N,dUDP,QHWZTVCCBMIIKE-SHYZEUOFSA-N
HMDB01003,427.019898895,C10H14N5O10PS,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1",IRLPACMLTUPBCL,KQYNXXCUSA,N,Adenosine phosphosulfate,IRLPACMLTUPBCL-KQYNXXCUSA-N
HMDB01004,192.089877638,C10H12N2O2,CNC(=O)CCC(=O)C1=CN=CC=C1,"InChI=1S/C10H12N2O2/c1-11-10(14)5-4-9(13)8-3-2-6-12-7-8/h2-3,6-7H,4-5H2,1H3,(H,11,14)",WOOSCPWOYYLIHS,UHFFFAOYSA,N,Oxoamide,WOOSCPWOYYLIHS-UHFFFAOYSA-N
HMDB01005,134.03275669,C3H6N2O4,NC(=O)N[C@@H](O)C(O)=O,"InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1",NWZYYCVIOKVTII,SFOWXEAESA,N,(S)-Ureidoglycolic acid,NWZYYCVIOKVTII-SFOWXEAESA-N
HMDB01007,165.078978601,C9H11NO2,OC(=O)CCCC1=CC=CN=C1,"InChI=1S/C9H11NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2,(H,11,12)",MFYZACBRKCFXDV,UHFFFAOYSA,N,3-Pyridinebutanoic acid,MFYZACBRKCFXDV-UHFFFAOYSA-N
HMDB01008,582.24783484,C33H34N4O6,CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N\C(=C\C2=NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O,"InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13+,27-14-,28-15-",RCNSAJSGRJSBKK,YKSNQIBWSA,N,Biliverdin,RCNSAJSGRJSBKK-YKSNQIBWSA-N
HMDB01009,177.139173554,C11H17N2,CN1CCCC1C1=CC=C[N+](C)=C1,"InChI=1S/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1",HIOROZIUERMMRQ,UHFFFAOYSA,N,N-Methylnicotinium,HIOROZIUERMMRQ-UHFFFAOYSA-N
HMDB01010,161.107873426,C10H13N2,C[N+]1=CCCC1C1=CC=CN=C1,"InChI=1S/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1",GTQXYYYOJZZJHL,UHFFFAOYSA,N,Nicotine imine,GTQXYYYOJZZJHL-UHFFFAOYSA-N
HMDB01011,835.141423115,C25H40N7O17P3S,CC(=C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1",NPALUEYCDZWBOV,NNYIDDMCSA,N,Methacrylyl-CoA,NPALUEYCDZWBOV-NNYIDDMCSA-N
HMDB01013,352.127051004,C16H20N2O7,CN1C(CCC1=O)C1=C[N+](=CC=C1)C1OC(C(O)C(O)C1O)C([O-])=O,"InChI=1S/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3",XWZCZWKUGIQPJD,UHFFFAOYSA,N,Cotinine glucuronide,XWZCZWKUGIQPJD-UHFFFAOYSA-N
HMDB01014,156.053492132,C6H8N2O3,OC(=O)CCC1N=CNC1=O,"InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)",HEXMLHKQVUFYME,UHFFFAOYSA,N,4-Imidazolone-5-propionic acid,HEXMLHKQVUFYME-UHFFFAOYSA-N
HMDB01015,177.045963913,C6H11NO3S,CSCC[C@@H](NC=O)C(O)=O,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1",PYUSHNKNPOHWEZ,RXMQYKEDSA,N,N-Formyl-L-methionine,PYUSHNKNPOHWEZ-RXMQYKEDSA-N
HMDB01016,299.077003069,C9H18NO8P,CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(O)=O,"InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)",XHFVGHPGDLDEQO,UHFFFAOYSA,N,D-4'-Phosphopantothenate,XHFVGHPGDLDEQO-UHFFFAOYSA-N
HMDB01018,536.04445569,C14H22N2O16P2,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OC2OC[C@@H](O)[C@H](O)[C@H]2O)OC([C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12?,13?/m1/s1",DQQDLYVHOTZLOR,QDHANXEVSA,N,UDP-D-Xylose,DQQDLYVHOTZLOR-QDHANXEVSA-N
HMDB01020,121.089149357,C8H11N,CN(C)C1=CC=CC=C1,"InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3",JLTDJTHDQAWBAV,UHFFFAOYSA,N,"N,N-Dimethylaniline",JLTDJTHDQAWBAV-UHFFFAOYSA-N
HMDB01021,883.126166981,C25H40N7O20P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)C(O)=O,"InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t12-,13+,17+,18+,19?,23+/m0/s1",HJQWLHMLMCDAEL,NALABAGVSA,N,Malyl-CoA,HJQWLHMLMCDAEL-NALABAGVSA-N
HMDB01022,867.131252359,C25H40N7O19P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O,"InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20?,24-/m1/s1",VNOYUJKHFWYWIR,FZEDXVDRSA,N,Succinyl-CoA,VNOYUJKHFWYWIR-FZEDXVDRSA-N
HMDB01023,410.354866094,C29H46O,[H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,"InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1",LFQXEZVYNCBVDO,PBJLWWPKSA,N,"4,4-Dimethylcholesta-8,14,24-trienol",LFQXEZVYNCBVDO-PBJLWWPKSA-N
HMDB01024,183.977289026,C3H5O7P,OC(=O)C(=O)COP(O)(O)=O,"InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)",LFLUCDOSQPJJBE,UHFFFAOYSA,N,Phosphohydroxypyruvic acid,LFLUCDOSQPJJBE-UHFFFAOYSA-N
HMDB01028,387.350115067,C26H45NO,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCN(C)C,"InChI=1S/C26H45NO/c1-18(7-6-16-27(4)5)22-10-11-23-21-9-8-19-17-20(28)12-14-25(19,2)24(21)13-15-26(22,23)3/h8,18,20-24,28H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1",RZPPEFJMRVRCDD,XSLNCIIRSA,N,25-Azacholesterol,RZPPEFJMRVRCDD-XSLNCIIRSA-N
HMDB01030,340.100561482,C12H20O11,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O,"InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2/t3-,4-,5+,7-,8-,9-,10-,11?,12+/m1/s1",HKKHTABTHSUDBP,ILXILVFVSA,N,3'-Ketolactose,HKKHTABTHSUDBP-ILXILVFVSA-N
HMDB01031,214.024239218,C5H11O7P,O[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,"InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1",KKZFLSZAWCYPOC,VPENINKCSA,N,Deoxyribose 5-phosphate,KKZFLSZAWCYPOC-VPENINKCSA-N
HMDB01032,368.165744696,C19H28O5S,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1",CZWCKYRVOZZJNM,USOAJAOKSA,N,Dehydroepiandrosterone sulfate,CZWCKYRVOZZJNM-USOAJAOKSA-N
HMDB01033,80.964639588,HO3S,OS([O-])=O,"InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1",LSNNMFCWUKXFEE,UHFFFAOYSA,M,Hydrogen sulfite,LSNNMFCWUKXFEE-UHFFFAOYSA-M
HMDB01035,1045.534514801,C50H71N13O12,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1",CZGUSIXMZVURDU,JZXHSEFVSA,N,Angiotensin II,CZGUSIXMZVURDU-JZXHSEFVSA-N
HMDB01036,930.50757177,C46H66N12O9,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1",QMMRCKSBBNJCMR,KMZPNFOHSA,N,Angiotensin III,QMMRCKSBBNJCMR-KMZPNFOHSA-N
HMDB01038,774.406460744,C40H54N8O8,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1",QSBGWDDCOJYQGY,KOQODJNWSA,N,Angiotensin IV,QSBGWDDCOJYQGY-KOQODJNWSA-N
HMDB01039,17.002739654,HO,[OH-],InChI=1S/H2O/h1H2/p-1,XLYOFNOQVPJJNP,UHFFFAOYSA,M,Hydroxide,XLYOFNOQVPJJNP-UHFFFAOYSA-M
HMDB01041,851.172723243,C26H44N7O17P3S,CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14?,15-,18-,19-,20?,24-/m1/s1",LYNVNYDEQMMNMZ,PCLZRLGGSA,N,2-Methylbutyryl-CoA,LYNVNYDEQMMNMZ-PCLZRLGGSA-N
HMDB01043,304.240230268,C20H32O2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-",YZXBAPSDXZZRGB,DOFZRALJSA,N,Arachidonic acid,YZXBAPSDXZZRGB-DOFZRALJSA-N
HMDB01044,347.063084339,C10H14N5O7P,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,"InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",LTFMZDNNPPEQNG,KVQBGUIXSA,N,2'-Deoxyguanosine 5'-monophosphate,LTFMZDNNPPEQNG-KVQBGUIXSA-N
HMDB01045,555.269298563,C28H37N5O7,CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1",URLZCHNOLZSCCA,VABKMULXSA,N,Enkephalin L,URLZCHNOLZSCCA-VABKMULXSA-N
HMDB01046,176.094963016,C10H12N2O,CN1C(CCC1=O)C1=CN=CC=C1,"InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3",UIKROCXWUNQSPJ,UHFFFAOYSA,N,Cotinine,UIKROCXWUNQSPJ-UHFFFAOYSA-N
HMDB01047,339.996048936,C6H14O12P2,OC[C@@]1(OP(O)(O)=O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1",YXWOAJXNVLXPMU,ZXXMMSQZSA,N,"D-Fructose 2,6-bisphosphate",YXWOAJXNVLXPMU-ZXXMMSQZSA-N
HMDB01049,250.062342258,C8H14N2O5S,N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O,"InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1",RITKHVBHSGLULN,WHFBIAKZSA,N,Gamma-Glutamylcysteine,RITKHVBHSGLULN-WHFBIAKZSA-N
HMDB01050,50.963767329,ClO,[O-]Cl,InChI=1S/ClO/c1-2/q-1,WQYVRQLZKVEZGA,UHFFFAOYSA,N,Hypochlorite,WQYVRQLZKVEZGA-UHFFFAOYSA-N
HMDB01051,90.031694058,C3H6O3,OCC(O)C=O,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2",MNQZXJOMYWMBOU,UHFFFAOYSA,N,Glyceraldehyde,MNQZXJOMYWMBOU-UHFFFAOYSA-N
HMDB01052,853.151987801,C25H42N7O18P3S,CC(CO)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)",WWEOGFZEFHPUAM,UHFFFAOYSA,N,(S)-3-Hydroxyisobutyryl-CoA,WWEOGFZEFHPUAM-UHFFFAOYSA-N
HMDB01054,466.233169358,C21H39O9P,OC[C@H]1O[C@@H](OP(=O)(O)OCCC(C)CC\C=C(\C)CCC=C(C)C)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H39O9P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-28-31(26,27)30-21-20(25)19(24)18(23)17(13-22)29-21/h7,9,16-25H,5-6,8,10-13H2,1-4H3,(H,26,27)/b15-9-/t16?,17-,18-,19+,20-,21+/m1/s1",RHJMCOLWMXJOGE,ZTZGTLKASA,N,Dolichyl b-D-glucosyl phosphate,RHJMCOLWMXJOGE-ZTZGTLKASA-N
HMDB01056,443.155331439,C19H21N7O6,NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1,"InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1",OZRNSSUDZOLUSN,LBPRGKRZSA,N,Dihydrofolic acid,OZRNSSUDZOLUSN-LBPRGKRZSA-N
HMDB01057,893.146902423,C27H42N7O19P3S,C\C(CC(O)=O)=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h9,12-13,15,20-22,26,39-40H,4-8,10-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b14-9+",GXKSHRDAHFLWPN,NTEUORMPSA,N,3-Methylglutaconyl-CoA,GXKSHRDAHFLWPN-NTEUORMPSA-N
HMDB01058,339.996048936,C6H14O12P2,O[C@H]1[C@H](O)[C@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O,"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1",RNBGYGVWRKECFJ,ZXXMMSQZSA,N,"Fructose 1,6-bisphosphate",RNBGYGVWRKECFJ-ZXXMMSQZSA-N
HMDB01059,499.928709756,C6H16O18P4,O[C@H]1C(OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)C(OP(O)(O)=O)[C@H]1OP(O)(O)=O,"InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3?,4-,5+,6?/m0/s1",CIPFCGZLFXVXBG,FTSGZOCFSA,N,"Inositol 1,3,4,5-tetraphosphate",CIPFCGZLFXVXBG-FTSGZOCFSA-N
HMDB01060,730.590010984,C49H78O4,COC1=C(OC)C(O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1O,"InChI=1S/C49H78O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34,46-47,50-51H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+",FLVUMORHBJZINO,SGHXUWJISA,N,Ubiquinol 8,FLVUMORHBJZINO-SGHXUWJISA-N
HMDB01061,174.889212286,IO3,[O-][I](=O)=O,"InChI=1S/HIO3/c2-1(3)4/h(H,2,3,4)/p-1",ICIWUVCWSCSTAQ,UHFFFAOYSA,M,Iodate,ICIWUVCWSCSTAQ-UHFFFAOYSA-M
HMDB01062,301.056267627,C8H16NO9P,CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1",BRGMHAYQAZFZDJ,RTRLPJTCSA,N,N-Acetyl-D-Glucosamine 6-Phosphate,BRGMHAYQAZFZDJ-RTRLPJTCSA-N
HMDB01063,562.402210216,C37H54O4,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=CC(=C1)C(O)=O,"InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+",VEPICJBQCOUQPI,IRVXXIIISA,N,"3-Hexaprenyl-4,5-Dihydroxybenzoic acid",VEPICJBQCOUQPI-IRVXXIIISA-N
HMDB01064,1029.344873947,C39H66N7O17P3S,CCCCC\C=C\C\C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8+,12-11+",YECLLIMZHNYFCK,MVKOLZDDSA,N,Linoleoyl-CoA,YECLLIMZHNYFCK-MVKOLZDDSA-N
HMDB01065,137.084063979,C8H11NO,NCC(O)C1=CC=CC=C1,"InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2",ULSIYEODSMZIPX,UHFFFAOYSA,N,2-Hydroxyphenethylamine,ULSIYEODSMZIPX-UHFFFAOYSA-N
HMDB01066,379.104935353,C13H21N3O8S,C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1",VDYDCVUWILIYQF,CSMHCCOUSA,N,S-Lactoylglutathione,VDYDCVUWILIYQF-CSMHCCOUSA-N
HMDB01067,304.090665498,C11H16N2O8,CC(=O)NC(CC(O)=O)C(=O)NC(CCC(O)=O)C(O)=O,"InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)",OPVPGKGADVGKTG,UHFFFAOYSA,N,N-Acetylaspartylglutamic acid,OPVPGKGADVGKTG-UHFFFAOYSA-N
HMDB01068,290.040283212,C7H15O10P,OCC1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7?/m1/s1",CBIDVWSRUUODHL,QTSLKERKSA,N,D-Sedoheptulose 7-phosphate,CBIDVWSRUUODHL-QTSLKERKSA-N
HMDB01069,358.138953094,C16H18N6O4,NC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC(NC2=CC=CC=C2)=N1,"InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)",SCNILGOVBBRMBK,UHFFFAOYSA,N,2-Phenylaminoadenosine,SCNILGOVBBRMBK-UHFFFAOYSA-N
HMDB01070,893.219673435,C29H50N7O17P3S,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)",KQMZYOXOBSXMII,UHFFFAOYSA,N,Octanoyl-CoA,KQMZYOXOBSXMII-UHFFFAOYSA-N
HMDB01072,862.683911368,C59H90O4,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,"InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+",ACTIUHUUMQJHFO,UPTCCGCDSA,N,Coenzyme Q10,ACTIUHUUMQJHFO-UPTCCGCDSA-N
HMDB01076,260.029718526,C6H13O9P,OC[C@H]1O[C@](O)(COP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1",RHKKZBWRNHGJEZ,ARQDHWQXSA,N,Fructose 1-phosphate,RHKKZBWRNHGJEZ-ARQDHWQXSA-N
HMDB01078,260.029718526,C6H13O9P,O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1",NBSCHQHZLSJFNQ,RWOPYEJCSA,N,Mannose 6-phosphate,NBSCHQHZLSJFNQ-RWOPYEJCSA-N
HMDB01080,87.068413915,C4H9NO,NCCCC=O,"InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2",DZQLQEYLEYWJIB,UHFFFAOYSA,N,4-Aminobutyraldehyde,DZQLQEYLEYWJIB-UHFFFAOYSA-N
HMDB01081,674.238177172,C25H42N2O19,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1",RPSBVJXBTXEJJG,LURNZOHQSA,N,(N-acetylneuraminosyl(a2-6)lactosamine),RPSBVJXBTXEJJG-LURNZOHQSA-N
HMDB01083,1186.461960915,C55H73CoN11O15,CC1=C2N3C([C@H](CC(O)=O)[C@@]2(C)CCC(O)=O)[C@]2(C)[N]4=C([C@@H](CCC(O)=O)[C@]2(C)CC(N)=O)C(C)=C2[N]5=C(C=C6[N](=C1[C@@H](CCC(O)=O)C6(C)C)[Co+]345C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C(N)N=CN=C13)[C@@H](CCC(O)=O)[C@]2(C)CC(N)=O,"InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1",OCNLJCZKGHKJGF,QOCQOLRHSA,M,"Adenosyl cobyrinic acid a,c diamide",OCNLJCZKGHKJGF-QOCQOLRHSA-M
HMDB01084,127.063328537,C6H9NO2,OC(=O)C1=NCCCC1,"InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)",GEJXSVNGWOSZPC,UHFFFAOYSA,N,D-1-Piperideine-2-carboxylic acid,GEJXSVNGWOSZPC-UHFFFAOYSA-N
HMDB01085,336.230059512,C20H32O4,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1",VNYSSYRCGWBHLG,AMOLWHMGSA,N,Leukotriene B4,VNYSSYRCGWBHLG-AMOLWHMGSA-N
HMDB01086,836.27523138,C40H44N4O16,OC(=O)CCC1=C2CC3=C(CCC(O)=O)C(CC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=C(CC5=C(CC(O)=O)C(CCC(O)=O)=C(CC(N2)=C1CC(O)=O)N5)N4)N3,"InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)",HUHWZXWWOFSFKF,UHFFFAOYSA,N,Uroporphyrinogen III,HUHWZXWWOFSFKF-UHFFFAOYSA-N
HMDB01087,180.045629562,C6H12O4S,CSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1",OLVVOVIFTBSBBH,KVTDHHQDSA,N,5-Methylthioribose,OLVVOVIFTBSBBH-KVTDHHQDSA-N
HMDB01088,837.157073179,C25H42N7O17P3S,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)",CRFNGMNYKDXRTN,UHFFFAOYSA,N,Butyryl-CoA,CRFNGMNYKDXRTN-UHFFFAOYSA-N
HMDB01090,308.006219692,C6H14O10P2,C[C@@](O)(CCOP(O)(=O)OP(O)(O)=O)CC(O)=O,"InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1",SIGQQUBJQXSAMW,ZCFIWIBFSA,N,(S)-5-Diphosphomevalonic acid,SIGQQUBJQXSAMW-ZCFIWIBFSA-N
HMDB01091,340.178692644,C20H24N2O3,[H][C@]12CCN(C[C@]1(O)C=C)[C@@]([H])(C2)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12,"InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3/t13-,18+,19-,20-/m1/s1",BSRUJCFCZKMFMB,ZNYHDOEXSA,N,3-Hydroxyquinine,BSRUJCFCZKMFMB-ZNYHDOEXSA-N
HMDB01093,382.323565966,C27H42O,[H][C@@]12CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CCC2CC(=O)CC[C@]12C,"InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-20,23-24H,6,8-17H2,1-5H3/t19-,20?,23-,24+,26+,27-/m1/s1",AUNLIRXIJAVBNM,YBXLEUBGSA,N,"5a-Cholesta-8,24-dien-3-one",AUNLIRXIJAVBNM-YBXLEUBGSA-N
HMDB01094,722.444027554,C40H68O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,"InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+",IKKLDISSULFFQO,DJMILUHSSA,N,Octaprenyl diphosphate,IKKLDISSULFFQO-DJMILUHSSA-N
HMDB01095,589.082238179,C16H25N5O15P2,C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15?/m0/s1",LQEBEXMHBLQMDB,QIXZNPMTSA,N,GDP-L-fucose,LQEBEXMHBLQMDB-QIXZNPMTSA-N
HMDB01096,140.982708755,CH4NO5P,NC(=O)OP(O)(O)=O,"InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)",FFQKYPRQEYGKAF,UHFFFAOYSA,N,Carbamoyl phosphate,FFQKYPRQEYGKAF-UHFFFAOYSA-N
HMDB01097,568.304955788,C34H40N4O4,CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(C=C)=C(CC5=C(C)C(CCC(O)=O)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3,"InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)",UHSGPDMIQQYNAX,UHFFFAOYSA,N,Protoporphyrinogen IX,UHSGPDMIQQYNAX-UHFFFAOYSA-N
HMDB01101,152.047344122,C8H8O3,COC1=CC=C(C=C1)C(O)=O,"InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",ZEYHEAKUIGZSGI,UHFFFAOYSA,N,p-Anisic acid,ZEYHEAKUIGZSGI-UHFFFAOYSA-N
HMDB01104,220.105921632,C8H16N2O5,CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1",MCGXOCXFFNKASF,FMDGEEDCSA,N,N-Acetyl-b-glucosaminylamine,MCGXOCXFFNKASF-FMDGEEDCSA-N
HMDB01106,73.052763851,C3H7NO,NCCC=O,"InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2",PCXDJQZLDDHMGX,UHFFFAOYSA,N,3-Aminopropionaldehyde,PCXDJQZLDDHMGX-UHFFFAOYSA-N
HMDB01107,298.115143647,C11H16N5O5,CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2,"InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1",OGHAROSJZRTIOK,KQYNXXCUSA,O,7-Methylguanosine,OGHAROSJZRTIOK-KQYNXXCUSA-O
HMDB01109,259.045702941,C6H14NO8P,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OP(O)(O)=O,"InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1",YMJBYRVFGYXULK,UKFBFLRUSA,N,Glucosamine-1P,YMJBYRVFGYXULK-UKFBFLRUSA-N
HMDB01112,169.998024468,C3H7O6P,OC(COP(O)(O)=O)C=O,"InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)",LXJXRIRHZLFYRP,UHFFFAOYSA,N,D-Glyceraldehyde 3-phosphate,LXJXRIRHZLFYRP-UHFFFAOYSA-N
HMDB01113,851.172723243,C26H44N7O17P3S,CC(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1",UYVZIWWBJMYRCD,TVCSPYKZSA,N,Isovaleryl-CoA,UYVZIWWBJMYRCD-TVCSPYKZSA-N
HMDB01114,1033.376174075,C39H70N7O17P3S,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34?,38-/m1/s1",SIARJEKBADXQJG,KBEKLFCESA,N,Stearoyl-CoA,SIARJEKBADXQJG-KBEKLFCESA-N
HMDB01117,402.086187546,C12H23N2O9PS,CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O,"InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1",XQYALQVLCNHCFT,CBAPKCEASA,N,4-Phosphopantothenoylcysteine,XQYALQVLCNHCFT-CBAPKCEASA-N
HMDB01119,181.073893223,C9H11NO3,OC(CCC(O)=O)C1=CC=CN=C1,"InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)",STZOZPPVGWNSMC,UHFFFAOYSA,N,4-Hydroxy-4-(3-pyridyl)-butanoic acid,STZOZPPVGWNSMC-UHFFFAOYSA-N
HMDB01120,246.005825762,C5H12O7P2,CC(C)=CCO[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)",CBIDRCWHNCKSTO,UHFFFAOYSA,N,Dimethylallylpyrophosphate,CBIDRCWHNCKSTO-UHFFFAOYSA-N
HMDB01121,301.056267627,C8H16NO9P,CC(=O)N[C@@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7-,8+/m1/s1",BRGMHAYQAZFZDJ,UOLFYFMNSA,N,N-Acetyl-D-mannosamine 6-phosphate,BRGMHAYQAZFZDJ-UOLFYFMNSA-N
HMDB01122,59.037113787,C2H5NO,CNC=O,"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)",ATHHXGZTWNVVOU,UHFFFAOYSA,N,N-Methylformamide,ATHHXGZTWNVVOU-UHFFFAOYSA-N
HMDB01123,137.047678473,C7H7NO2,NC1=CC=CC=C1C(O)=O,"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)",RWZYAGGXGHYGMB,UHFFFAOYSA,N,2-Aminobenzoic acid,RWZYAGGXGHYGMB-UHFFFAOYSA-N
HMDB01124,422.082541956,C12H23O14P,OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1",LABSPYBHMPDTEL,LIZSDCNHSA,N,Trehalose 6-phosphate,LABSPYBHMPDTEL-LIZSDCNHSA-N
HMDB01125,242.01915384,C6H11O8P,O[C@H]1[C@H]2OP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)/t1-,2-,3+,4+,5-,6+/m0/s1",SXHMVNXROAUURW,FTYOSCRSSA,N,Inositol cyclic phosphate,SXHMVNXROAUURW-FTYOSCRSSA-N
HMDB01126,148.100048394,C9H12N2,C1CNC(C1)C1=CC=CN=C1,"InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2",MYKUKUCHPMASKF,UHFFFAOYSA,N,Nornicotine,MYKUKUCHPMASKF-UHFFFAOYSA-N
HMDB01127,258.014068462,C6H11O9P,O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC(=O)[C@@H]1O,"InChI=1S/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)/t2-,3-,4+,5-/m1/s1",IJOJIVNDFQSGAB,SQOUGZDYSA,N,6-Phosphonoglucono-D-lactone,IJOJIVNDFQSGAB-SQOUGZDYSA-N
HMDB01128,229.035138255,C5H12NO7P,N[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1",SKCBPEVYGOQGJN,TXICZTDVSA,N,5-Phosphoribosylamine,SKCBPEVYGOQGJN-TXICZTDVSA-N
HMDB01129,221.089937217,C8H15NO6,[H][C@@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8-/m1/s1",OVRNDRQMDRJTHS,OZRXBMAMSA,N,N-Acetylmannosamine,OVRNDRQMDRJTHS-OZRXBMAMSA-N
HMDB01131,131.021857653,C4H5NO4,OC(=O)CC(=N)C(O)=O,"InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9)",NMUOATVLLQEYHI,UHFFFAOYSA,N,Iminoaspartic acid,NMUOATVLLQEYHI-UHFFFAOYSA-N
HMDB01132,337.056267627,C11H16NO9P,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)([O-])=O)[N+]1=CC=CC(C1)C(O)=O,"InChI=1S/C11H16NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-3,6-10,13-14H,4-5H2,(H2-,15,16,17,18,19)/t6?,7-,8-,9-,10-/m1/s1",OGCWVIVNTBZPBW,BHRXDNSCSA,N,Nicotinic acid mononucleotide,OGCWVIVNTBZPBW-BHRXDNSCSA-N
HMDB01134,506.986229305,C10H15N5O13P2S,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,"InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1",GACDQMDRPRGCTN,KQYNXXCUSA,N,Phosphoadenosine phosphosulfate,GACDQMDRPRGCTN-KQYNXXCUSA-N
HMDB01137,854.285796066,C40H46N4O17,OCC1=C(CC(O)=O)C(CCC(O)=O)=C(CC2=C(CC(O)=O)C(CCC(O)=O)=C(CC3=C(CC(O)=O)C(CCC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=CN4)N3)N2)N1,"InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)",WDFJYRZCZIUBPR,UHFFFAOYSA,N,Hydroxymethylbilane,WDFJYRZCZIUBPR-UHFFFAOYSA-N
HMDB01138,189.063722467,C7H11NO5,CC(=O)NC(CCC(O)=O)C(O)=O,"InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)",RFMMMVDNIPUKGG,UHFFFAOYSA,N,N-Acetylglutamic acid,RFMMMVDNIPUKGG-UHFFFAOYSA-N
HMDB01139,354.240624198,C20H34O5,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,18-,19+/m0/s1",PXGPLTODNUVGFL,UAAPODJFSA,N,Prostaglandin F2a,PXGPLTODNUVGFL-UAAPODJFSA-N
HMDB01140,128.120115134,C8H16O,CCCCCCCC=O,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3",NUJGJRNETVAIRJ,UHFFFAOYSA,N,Octanal,NUJGJRNETVAIRJ-UHFFFAOYSA-N
HMDB01142,458.120264866,C17H23N4O9P,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=C(N2)C(=O)NC(=O)N1,"InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1",YTNIXZGTHTVJBW,SCRDCRAPSA,N,FMNH2,YTNIXZGTHTVJBW-SCRDCRAPSA-N
HMDB01143,419.962379346,C6H15O15P3,O[C@@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m1/s1",MMWCIQZXVOZEGG,MLQGYMEPSA,N,"Inositol 1,3,4-trisphosphate",MMWCIQZXVOZEGG-MLQGYMEPSA-N
HMDB01147,119.021857653,C3H5NO4,NC(C(O)=O)C(O)=O,"InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)",JINBYESILADKFW,UHFFFAOYSA,N,Aminomalonic acid,JINBYESILADKFW-UHFFFAOYSA-N
HMDB01149,131.058243159,C5H9NO3,NCC(=O)CCC(O)=O,"InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)",ZGXJTSGNIOSYLO,UHFFFAOYSA,N,5-Aminolevulinic acid,ZGXJTSGNIOSYLO-UHFFFAOYSA-N
HMDB01151,180.063388116,C6H12O6,[H][C@@]1(CO)OC(O)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m0/s1",WQZGKKKJIJFFOK,HOWGCPQDSA,N,Allose,WQZGKKKJIJFFOK-HOWGCPQDSA-N
HMDB01155,756.081934402,C20H27N10O16P3,NC1=C2N=CN([C@H]3O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@H](O)[C@@H]3O)C2=NC=N1,"InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8+,11-,12+,13-,14+,19-,20+",QCICUPZZLIQAPA,WGIMJHEJSA,N,Diadenosine triphosphate,QCICUPZZLIQAPA-WGIMJHEJSA-N
HMDB01157,865.151987801,C26H42N7O18P3S,CC(C(C)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)",NHNODHRSCRALBF,UHFFFAOYSA,N,2-Methylacetoacetyl-CoA,NHNODHRSCRALBF-UHFFFAOYSA-N
HMDB01160,354.349780716,C23H46O2,CCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)",XEZVDURJDFGERA,UHFFFAOYSA,N,Tricosanoic acid,XEZVDURJDFGERA-UHFFFAOYSA-N
HMDB01161,146.118103761,C7H16NO2,C[N+](C)(C)CCCC(O)=O,"InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1",JHPNVNIEXXLNTR,UHFFFAOYSA,O,4-Trimethylammoniobutanoic acid,JHPNVNIEXXLNTR-UHFFFAOYSA-O
HMDB01162,838.375663119,C49H58FeN4O5,CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(O)C1=C(C)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C5/C=C6\N=C(\C=C\1/N\2[Fe]N45)C(C)=C6C=C)/C(CCC(O)=O)=C3C,"InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;",FISPASSVCDRERW,KVGORYHISA,L,Heme O,FISPASSVCDRERW-KVGORYHISA-L
HMDB01163,605.077152801,C16H25N5O16P2,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1",MVMSCBBUIHUTGJ,GDJBGNAASA,N,Guanosine diphosphate mannose,MVMSCBBUIHUTGJ-GDJBGNAASA-N
HMDB01164,112.0524295,C6H8O2,O[C@@H]1C=CC=C[C@H]1O,"InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6-/m1/s1",YDRSQRPHLBEPTP,PHDIDXHHSA,N,"trans-1,2-Dihydrobenzene-1,2-diol",YDRSQRPHLBEPTP-PHDIDXHHSA-N
HMDB01165,1052.10730021,C28H48N2O32S4,CC(=O)N[C@@H]1[C@@H](O)C[C@@H](COS(O)(=O)=O)O[C@H]1O[C@H]1[C@@H](O)[C@@H](COS(O)(=O)=O)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H]3O)O[C@@H]2COS(O)(=O)=O)[C@@H]1O,"InChI=1S/C28H48N2O32S4/c1-8(31)29-15-11(33)3-10(4-52-63(40,41)42)56-26(15)62-24-18(35)13(6-54-65(46,47)48)58-28(21(24)38)60-22-14(7-55-66(49,50)51)59-27(16(19(22)36)30-9(2)32)61-23-17(34)12(5-53-64(43,44)45)57-25(39)20(23)37/h10-28,33-39H,3-7H2,1-2H3,(H,29,31)(H,30,32)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t10-,11-,12+,13+,14+,15+,16+,17-,18-,19+,20+,21+,22+,23-,24-,25+,26-,27-,28-/m0/s1",KXCLCNHUUKTANI,RBIYJLQWSA,N,Keratan,KXCLCNHUUKTANI-RBIYJLQWSA-N
HMDB01166,853.151987801,C25H42N7O18P3S,C[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14-,18-,19-,20?,24-/m1/s1",QHHKKMYHDBRONY,JYMPOPDUSA,N,3-Hydroxybutyryl-CoA,QHHKKMYHDBRONY-JYMPOPDUSA-N
HMDB01167,72.021129372,C3H4O2,CC(=O)C=O,"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3",AIJULSRZWUXGPQ,UHFFFAOYSA,N,Pyruvaldehyde,AIJULSRZWUXGPQ-UHFFFAOYSA-N
HMDB01168,917.219673435,C31H50N7O17P3S,CCCCC\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8+,11-10+/t20-,24-,25-,26?,30-/m1/s1",FASAKYLWSRDQOH,IKZSJNQUSA,N,"2,4-Decadienoyl-CoA",FASAKYLWSRDQOH-IKZSJNQUSA-N
HMDB01169,109.052763851,C6H7NO,NC1=CC=C(O)C=C1,"InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2",PLIKAWJENQZMHA,UHFFFAOYSA,N,4-Aminophenol,PLIKAWJENQZMHA-UHFFFAOYSA-N
HMDB01170,386.354866094,C27H46O,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1",IZVFFXVYBHFIHY,SKCNUYALSA,N,Lathosterol,IZVFFXVYBHFIHY-SKCNUYALSA-N
HMDB01172,102.031694058,C4H6O3,CC(C=O)C(O)=O,"InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)",VOKUMXABRRXHAR,UHFFFAOYSA,N,2-Methyl-3-oxopropanoic acid,VOKUMXABRRXHAR-UHFFFAOYSA-N
HMDB01173,297.089560061,C11H15N5O3S,CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",WUUGFSXJNOTRMR,IOSLPCCCSA,N,5'-Methylthioadenosine,WUUGFSXJNOTRMR-IOSLPCCCSA-N
HMDB01175,853.115602295,C24H38N7O19P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O,"InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19?,23-/m1/s1",LTYOQGRJFJAKNA,VFLPNFFSSA,N,Malonyl-CoA,LTYOQGRJFJAKNA-VFLPNFFSSA-N
HMDB01176,614.147267476,C20H31N4O16P,[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1",TXCIAUNLDRJGJZ,BILDWYJOSA,N,Cytidine monophosphate N-acetylneuraminic acid,TXCIAUNLDRJGJZ-BILDWYJOSA-N
HMDB01177,307.091199545,C12H21NO4S2,NC(=O)CCCC[C@H](CCS)SC(=O)CCC(O)=O,"InChI=1S/C12H21NO4S2/c13-10(14)4-2-1-3-9(7-8-18)19-12(17)6-5-11(15)16/h9,18H,1-8H2,(H2,13,14)(H,15,16)/t9-/m1/s1",RJCJWONCSKSHES,SECBINFHSA,N,(S)-Succinyldihydrolipoamide,RJCJWONCSKSHES-SECBINFHSA-N
HMDB01178,559.071673493,C15H23N5O14P2,NC1=C2N=CN(C3OC(COP(O)(=O)OP(O)(=O)OCC4OC(O)C(O)C4O)C(O)C3O)C2=NC=N1,"InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)",SRNWOUGRCWSEMX,UHFFFAOYSA,N,Adenosine diphosphate ribose,SRNWOUGRCWSEMX-UHFFFAOYSA-N
HMDB01179,665.100962248,C21H27N6O15P2,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1",SENPVEZBRZQVST,HISDBWNOSA,O,Nicotinic acid adenine dinucleotide,SENPVEZBRZQVST-HISDBWNOSA-O
HMDB01180,231.074287153,C9H13NO6,OC(=O)CCC(=O)N[C@@H](CCC=O)C(O)=O,"InChI=1S/C9H13NO6/c11-5-1-2-6(9(15)16)10-7(12)3-4-8(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14)(H,15,16)/t6-/m0/s1",XTOKIEIBKARFSZ,LURJTMIESA,N,N2-Succinyl-L-glutamic acid 5-semialdehyde,XTOKIEIBKARFSZ-LURJTMIESA-N
HMDB01181,442.344695338,C29H46O3,[H][C@@]12CCC3=C(CC[C@]4(C)C(CCC34)[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)[C@@]2(C)C(O)=O,"InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21?,22?,24-,25+,27-,28-,29+/m1/s1",MYWAIWDQTCHPTH,YCIQJMEESA,N,"4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol",MYWAIWDQTCHPTH-YCIQJMEESA-N
HMDB01182,152.033425392,C5H4N4O2,O=C1NC2=C(N1)C(=O)N=CN2,"InChI=1S/C5H4N4O2/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11)",BYUOBSUZYQAFJM,UHFFFAOYSA,N,"6,8-Dihydroxypurine",BYUOBSUZYQAFJM-UHFFFAOYSA-N
HMDB01183,130.135765198,C8H18O,CCCCCCCCO,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",KBPLFHHGFOOTCA,UHFFFAOYSA,N,Octanol,KBPLFHHGFOOTCA-UHFFFAOYSA-N
HMDB01184,84.057514878,C5H8O,C\C=C\C(C)=O,"InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+",LABTWGUMFABVFG,ONEGZZNKSA,N,Methyl propenyl ketone,LABTWGUMFABVFG-ONEGZZNKSA-N
HMDB01185,399.145063566,C15H23N6O5S,C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1",MEFKEPWMEQBLKI,AIRLBKTGSA,O,S-Adenosylmethionine,MEFKEPWMEQBLKI-AIRLBKTGSA-O
HMDB01186,244.226311538,C12H28N4O,CC(=O)NCCCNCCCCNCCCN,"InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)",GUNURVWAJRRUAV,UHFFFAOYSA,N,N1-Acetylspermine,GUNURVWAJRRUAV-UHFFFAOYSA-N
HMDB01187,499.928709756,C6H16O18P4,O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6+",ZAWIXNGTTZTBKV,JMVOWJSSSA,N,"1D-Myo-inositol 1,3,4,6-tetrakisphosphate",ZAWIXNGTTZTBKV-JMVOWJSSSA-N
HMDB01188,426.386166222,C30H50O,CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C=C(/C)CC\C=C(\C)CC[C@]1([H])OC1(C)C,"InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15-,26-16+,27-20+,28-21-/t29-/m0/s1",QYIMSPSDBYKPPY,CBMIWKPVSA,N,"(S)-2,3-Epoxysqualene",QYIMSPSDBYKPPY-CBMIWKPVSA-N
HMDB01189,179.094628665,C10H13NO2,CN1CCC2=CC(O)=C(O)C=C2C1,"InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3",WETXYFNVBDLWIW,UHFFFAOYSA,N,2(N)-Methyl-norsalsolinol,WETXYFNVBDLWIW-UHFFFAOYSA-N
HMDB01190,159.068413915,C10H9NO,O=CCC1=CNC2=CC=CC=C12,"InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2",WHOOUMGHGSPMGR,UHFFFAOYSA,N,Indoleacetaldehyde,WHOOUMGHGSPMGR-UHFFFAOYSA-N
HMDB01191,467.973612734,C9H15N2O14P3,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",AHCYMLUZIRLXAA,SHYZEUOFSA,N,Deoxyuridine triphosphate,AHCYMLUZIRLXAA-SHYZEUOFSA-N
HMDB01192,916.014595222,C20H29N10O22P5,NC1=NC=NC2=C1N=CN2[C@@H]1OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,"InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8?,11-,12-,13-,14-,19?,20-/m1/s1",OIMACDRJUANHTJ,OEOQABFDSA,N,Diadenosine pentaphosphate,OIMACDRJUANHTJ-OEOQABFDSA-N
HMDB01193,336.230059512,C20H32O4,CCCCC\C=C/C\C=C/C\C=C/C=C/[C@H](CCCC(O)=O)OO,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1",JNUUNUQHXIOFDA,JGKLHWIESA,N,5(S)-Hydroperoxyeicosatetraenoic acid,JNUUNUQHXIOFDA-JGKLHWIESA-N
HMDB01195,237.086189243,C9H11N5O3,CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)",WBJZXBUVECZHCE,UHFFFAOYSA,N,Dyspropterin,WBJZXBUVECZHCE-UHFFFAOYSA-N
HMDB01196,780.248300452,C28H50N2O19P2,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(O)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(O)(=O)OCCC(C)CC\C=C(/C)CC=C(C)C)[C@H](NC(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C28H50N2O19P2/c1-14(2)8-9-15(3)6-5-7-16(4)10-11-44-50(40,41)49-51(42,43)48-26-20(30-28(38)39)23(35)24(18(13-32)46-26)47-25-19(29-27(36)37)22(34)21(33)17(12-31)45-25/h6,8,16-26,29-35H,5,7,9-13H2,1-4H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)/b15-6+/t16?,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+/m1/s1",YBYNXPYEWMVKMB,HNLAPQKRSA,N,"N,N'-Diacetylchitobiosyldiphosphodolichol",YBYNXPYEWMVKMB-HNLAPQKRSA-N
HMDB01197,787.172784519,C27H35N9O15P2,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=C(N2)C(=O)NC(=O)N1,"InChI=1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1",YPZRHBJKEMOYQH,UYBVJOGSSA,N,FADH,YPZRHBJKEMOYQH-UYBVJOGSSA-N
HMDB01198,625.303300807,C30H47N3O9S,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1",GWNVDXQDILPJIG,NXOLIXFESA,N,Leukotriene C4,GWNVDXQDILPJIG-NXOLIXFESA-N
HMDB01199,232.105921632,C9H16N2O5,NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O,"InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1",VWXQFHJBQHTHMK,LURJTMIESA,N,N2-Succinyl-L-ornithine,VWXQFHJBQHTHMK-LURJTMIESA-N
HMDB01200,236.079706882,C11H12N2O4,NC(CC(=O)C1=CC=CC=C1NC=O)C(O)=O,"InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)",BYHJHXPTQMMKCA,UHFFFAOYSA,N,N'-Formylkynurenine,BYHJHXPTQMMKCA-UHFFFAOYSA-N
HMDB01201,443.024329371,C10H15N5O11P2,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",QGWNDRXFNXRZMB,UUOKFMHZSA,N,Guanosine diphosphate,QGWNDRXFNXRZMB-UUOKFMHZSA-N
HMDB01202,307.056936329,C9H14N3O7P,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,"InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",NCMVOABPESMRCP,SHYZEUOFSA,N,dCMP,NCMVOABPESMRCP-SHYZEUOFSA-N
HMDB01203,412.334130652,C28H44O2,CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C=O)C1CC3,"InChI=1S/C28H44O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,17,19,21-24,26,30H,6,8-16H2,1-5H3",ZLQSSFNCEUGGJF,UHFFFAOYSA,N,"4a-Formyl-5a-cholesta-8,24-dien-3b-ol",ZLQSSFNCEUGGJF-UHFFFAOYSA-N
HMDB01204,368.121965626,C16H20N2O8,[H][C@@]1(O[C@@H]2CC(N(C)C2=O)C2=CC=CN=C2)O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/t8?,9-,10+,11+,12-,13+,16-/m1/s1",WALNNKZUGHYSCT,QBYCBOKUSA,N,trans-3-Hydroxycotinine glucuronide,WALNNKZUGHYSCT-QBYCBOKUSA-N
HMDB01206,809.125773051,C23H38N7O17P3S,CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1",ZSLZBFCDCINBPY,ZSJPKINUSA,N,Acetyl-CoA,ZSLZBFCDCINBPY-ZSJPKINUSA-N
HMDB01209,176.054554764,C4H8N4O4,NC(=O)NC(NC(N)=O)C(O)=O,"InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)",NUCLJNSWZCHRKL,UHFFFAOYSA,N,Allantoic acid,NUCLJNSWZCHRKL-UHFFFAOYSA-N
HMDB01211,836.048264812,C20H28N10O19P4,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",YOAHKNVSNCMZGQ,XPWFQUROSA,N,Diadenosine tetraphosphate,YOAHKNVSNCMZGQ-XPWFQUROSA-N
HMDB01212,172.048406754,C6H8N2O4,OC(=O)CCC1NC(=O)NC1=O,"InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)",VWFWNXQAMGDPGG,UHFFFAOYSA,N,Hydantoin-5-propionic acid,VWFWNXQAMGDPGG-UHFFFAOYSA-N
HMDB01213,214.024239218,C5H11O7P,CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1",AJPADPZSRRUGHI,RFZPGFLSSA,N,1-Deoxy-D-xylulose 5-phosphate,AJPADPZSRRUGHI-RFZPGFLSSA-N
HMDB01216,136.074896276,C6H8N4,C1CNC2=C(N1)C=NC=N2,"InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10)",IDAICLIJTRXNER,UHFFFAOYSA,N,Tetrahydropteridine,IDAICLIJTRXNER-UHFFFAOYSA-N
HMDB01217,398.354866094,C28H46O,[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,"InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1",FOUJWBXBKVVHCJ,YIJYGBTNSA,N,4a-Methylzymosterol,FOUJWBXBKVVHCJ-YIJYGBTNSA-N
HMDB01218,146.036779433,C9H6O2,O=C1OC2=CC=CC=C2C=C1,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,ZYGHJZDHTFUPRJ,UHFFFAOYSA,N,Coumarin,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
HMDB01219,487.699091756,C10H2Cl10O,OC1C2(Cl)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C(Cl)(Cl)C41Cl,"InChI=1S/C10H2Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/h1,21H",MBEIHNKADVMCJM,UHFFFAOYSA,N,Chlordecone alcohol,MBEIHNKADVMCJM-UHFFFAOYSA-N
HMDB01220,352.224974134,C20H32O5,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1",XEYBRNLFEZDVAW,ARSRFYASSA,N,Prostaglandin E2,XEYBRNLFEZDVAW-ARSRFYASSA-N
HMDB01227,322.056601978,C10H15N2O8P,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,"InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",GYOZYWVXFNDGLU,XLPZGREQSA,N,5-Thymidylic acid,GYOZYWVXFNDGLU-XLPZGREQSA-N
HMDB01228,227.019488191,C5H10NO7P,N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O,"InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1",PJRXVIJAERNUIP,VKHMYHEASA,N,L-Glutamic acid 5-phosphate,PJRXVIJAERNUIP-VKHMYHEASA-N
HMDB01229,195.053157781,C9H9NO4,N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O,"InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1",AHMIDUVKSGCHAU,LURJTMIESA,N,Dopaquinone,AHMIDUVKSGCHAU-LURJTMIESA-N
HMDB01231,436.355260024,C27H48O4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)CO,"InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",XJZGNVBLVFOSKJ,XZULNKEGSA,N,27-Deoxy-5b-cyprinol,XJZGNVBLVFOSKJ-XZULNKEGSA-N
HMDB01232,139.026943031,C6H5NO3,OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H",BTJIUGUIPKRLHP,UHFFFAOYSA,N,4-Nitrophenol,BTJIUGUIPKRLHP-UHFFFAOYSA-N
HMDB01235,295.056936329,C8H14N3O7P,NC1=CN=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1",PDACUKOKVHBVHJ,XVFCMESISA,N,5-Aminoimidazole ribonucleotide,PDACUKOKVHBVHJ-XVFCMESISA-N
HMDB01238,218.105527702,C12H14N2O2,CC(=O)NCCC1=CNC2=C1C=C(O)C=C2,"InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)",MVAWJSIDNICKHF,UHFFFAOYSA,N,N-Acetylserotonin,MVAWJSIDNICKHF-UHFFFAOYSA-N
HMDB01240,178.11061308,C10H14N2O,CNCCCC(=O)C1=CC=CN=C1,"InChI=1S/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3",SGDIDUFQYHRMPR,UHFFFAOYSA,N,Pseudooxynicotine,SGDIDUFQYHRMPR-UHFFFAOYSA-N
HMDB01241,157.037507717,C6H7NO4,N\C(=C\C=C/C(O)=O)C(O)=O,"InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/b3-1-,4-2+",ZRHONLCTYUYMIQ,HSFFGMMNSA,N,2-Aminomuconic acid,ZRHONLCTYUYMIQ-HSFFGMMNSA-N
HMDB01242,442.381080844,C30H50O2,CC(CCC=C(C)C)C1CCC2(CO)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,"InChI=1S/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,21-22,25-26,31-32H,8,10-19H2,1-7H3",DWVYYKFZEDMMPU,UHFFFAOYSA,N,Obtusifoliol,DWVYYKFZEDMMPU-UHFFFAOYSA-N
HMDB01243,837.157073179,C25H42N7O17P3S,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1",AEWHYWSPVRZHCT,NDZSKPAWSA,N,Isobutyryl-CoA,AEWHYWSPVRZHCT-NDZSKPAWSA-N
HMDB01244,334.214409448,C20H30O4,CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3,(H,23,24)/b7-4-/t16-,18+/m0/s1",FMKLAIBZMCURLI,BFVRRIQPSA,N,"15-Keto-13,14-dihydroprostaglandin A2",FMKLAIBZMCURLI-BFVRRIQPSA-N
HMDB01245,387.023266739,C9H15N3O10P2,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1,"InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",FTDHDKPUHBLBTL,SHYZEUOFSA,N,dCDP,FTDHDKPUHBLBTL-SHYZEUOFSA-N
HMDB01247,26.981538441,Al,[Al+3],InChI=1S/Al/q+3,REDXJYDRNCIFBQ,UHFFFAOYSA,N,Aluminum,REDXJYDRNCIFBQ-UHFFFAOYSA-N
HMDB01248,785.157134455,C27H33N9O15P2,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2,"InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1",VWWQXMAJTJZDQX,UYBVJOGSSA,N,FAD,VWWQXMAJTJZDQX-UYBVJOGSSA-N
HMDB01250,135.068413915,C8H9NO,CC(=O)NC1=CC=CC=C1,"InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)",FZERHIULMFGESH,UHFFFAOYSA,N,N-Acetylarylamine,FZERHIULMFGESH-UHFFFAOYSA-N
HMDB01251,426.386166222,C30H50O,[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,"InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1",CAHGCLMLTWQZNJ,BQNIITSRSA,N,Lanosterin,CAHGCLMLTWQZNJ-BQNIITSRSA-N
HMDB01252,102.091889011,C5H12NO,C[N+](C)(C)CC=O,"InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1",SXKNCCSPZDCRFD,UHFFFAOYSA,N,Betaine aldehyde,SXKNCCSPZDCRFD-UHFFFAOYSA-N
HMDB01253,193.037507717,C9H7NO4,OC(=O)C1=CC2=C(N1)C=C(O)C(O)=C2,"InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)",YFTGOBNOJKXZJC,UHFFFAOYSA,N,"5,6-Dihydroxyindole-2-carboxylic acid",YFTGOBNOJKXZJC-UHFFFAOYSA-N
HMDB01254,259.045702941,C6H14NO8P,N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1",XHMJOUIAFHJHBW,UKFBFLRUSA,N,Glucosamine 6-phosphate,XHMJOUIAFHJHBW-UKFBFLRUSA-N
HMDB01256,202.215746852,C10H26N4,NCCCNCCCCNCCCN,"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2",PFNFFQXMRSDOHW,UHFFFAOYSA,N,Spermine,PFNFFQXMRSDOHW-UHFFFAOYSA-N
HMDB01257,145.157897623,C7H19N3,NCCCCNCCCN,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",ATHGHQPFGPMSJY,UHFFFAOYSA,N,Spermidine,ATHGHQPFGPMSJY-UHFFFAOYSA-N
HMDB01259,102.031694058,C4H6O3,OC(=O)CCC=O,"InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)",UIUJIQZEACWQSV,UHFFFAOYSA,N,Succinic acid semialdehyde,UIUJIQZEACWQSV-UHFFFAOYSA-N
HMDB01260,715.172784519,C21H35N9O15P2,NC(CCC\N=C(/N)NC1OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C(N)N=CN=C23)C(O)C1O)C(O)=O,"InChI=1S/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)",IWVSYNGKNZFSSA,UHFFFAOYSA,N,ADP-Ribosyl-L-arginine,IWVSYNGKNZFSSA-UHFFFAOYSA-N
HMDB01261,660.315914404,C36H44N4O8,CC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3,"InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)",NIUVHXTXUXOFEB,UHFFFAOYSA,N,Coproporphyrinogen III,NIUVHXTXUXOFEB-UHFFFAOYSA-N
HMDB01262,504.169034976,C18H32O16,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1",FYGDTMLNYKFZSV,DZOUCCHMSA,N,Maltotriose,FYGDTMLNYKFZSV-DZOUCCHMSA-N
HMDB01263,145.073893223,C6H11NO3,NC(CCCC=O)C(O)=O,"InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)",GFXYTQPNNXGICT,UHFFFAOYSA,N,Allysine,GFXYTQPNNXGICT-UHFFFAOYSA-N
HMDB01264,174.016437924,C6H6O6,[H][C@@]1(OC(=O)C(=O)C1=O)[C@H](O)CO,"InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5-/m1/s1",SBJKKFFYIZUCET,DUZGATOHSA,N,Dehydroascorbic acid,SBJKKFFYIZUCET-DUZGATOHSA-N
HMDB01265,244.034803904,C6H13O8P,C[C@@H]1OC(OP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6?/m0/s1",PTVXQARCLQPGIR,DHVFOXMCSA,N,Fucose 1-phosphate,PTVXQARCLQPGIR-DHVFOXMCSA-N
HMDB01266,180.063388116,C6H12O6,OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1",LKDRXBCSQODPBY,BGPJRJDNSA,N,L-Sorbose,LKDRXBCSQODPBY-BGPJRJDNSA-N
HMDB01267,178.074227574,C9H10N2O2,NC(=O)CCC(=O)C1=CN=CC=C1,"InChI=1S/C9H10N2O2/c10-9(13)4-3-8(12)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H2,10,13)",DJEKVKGYYASXCW,UHFFFAOYSA,N,4-Oxo-4-(3-pyridyl)-butanamide,DJEKVKGYYASXCW-UHFFFAOYSA-N
HMDB01268,200.032087988,C8H8O6,OC(=O)CC(=O)CC(=O)\C=C\C(O)=O,"InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1+",GACSIVHAIFQKTC,OWOJBTEDSA,N,4-Fumarylacetoacetic acid,GACSIVHAIFQKTC-OWOJBTEDSA-N
HMDB01269,867.131252359,C25H40N7O19P3S,C[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13+,16+,17+,18?,22+/m0/s1",MZFOKIKEPGUZEN,PNEPRAIJSA,N,Methylmalonyl-CoA,MZFOKIKEPGUZEN-PNEPRAIJSA-N
HMDB01270,265.9592695,C3H8O10P2,OC(COP(O)(O)=O)C(=O)OP(O)(O)=O,"InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)",LJQLQCAXBUHEAZ,UHFFFAOYSA,N,"Glyceric acid 1,3-biphosphate",LJQLQCAXBUHEAZ-UHFFFAOYSA-N
HMDB01271,324.035866536,C9H13N2O9P,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)C1=CNC(=O)NC1=O,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",MOBMOJGXNHLLIR,GBNDHIKLSA,N,Pseudouridine 5'-phosphate,MOBMOJGXNHLLIR-GBNDHIKLSA-N
HMDB01272,338.147786446,C16H22N2O6,CN1CCC[C@H]1C1=C[N+](=CC=C1)[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O,"InChI=1S/C16H22N2O6/c1-17-6-3-5-10(17)9-4-2-7-18(8-9)15-13(21)11(19)12(20)14(24-15)16(22)23/h2,4,7-8,10-15,19-21H,3,5-6H2,1H3/t10-,11-,12-,13+,14-,15-/m0/s1",SAWAIULJDYFLPD,SOAFEQHCSA,N,Nicotine glucuronide,SAWAIULJDYFLPD-SOAFEQHCSA-N
HMDB01273,522.990659781,C10H16N5O14P3,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",XKMLYUALXHKNFT,UUOKFMHZSA,N,Guanosine triphosphate,XKMLYUALXHKNFT-UUOKFMHZSA-N
HMDB01274,402.022932388,C10H16N2O11P2,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,"InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",UJLXYODCHAELLY,XLPZGREQSA,N,dTDP,UJLXYODCHAELLY-XLPZGREQSA-N
HMDB01275,823.141423115,C24H40N7O17P3S,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19?,23-/m1/s1",QAQREVBBADEHPA,UXYNFSPESA,N,Propionyl-CoA,QAQREVBBADEHPA-UXYNFSPESA-N
HMDB01276,187.168462309,C9H21N3O,CC(=O)NCCCNCCCCN,"InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)",MQTAVJHICJWXBR,UHFFFAOYSA,N,N1-Acetylspermidine,MQTAVJHICJWXBR-UHFFFAOYSA-N
HMDB01278,586.318827042,C30H52O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\[C@@]1([H])[C@]([H])(COP(O)(=O)OP(O)(O)=O)[C@@]1(C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1",ATZKAUGGNMSCCY,VYCBRMPGSA,N,Presqualene diphosphate,ATZKAUGGNMSCCY-VYCBRMPGSA-N
HMDB01280,141.042593095,C6H7NO3,N\C(=C\C=C/C=O)C(O)=O,"InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+",QCGTZPZKJPTAEP,REDYYMJGSA,N,2-Aminomuconic acid semialdehyde,QCGTZPZKJPTAEP-REDYYMJGSA-N
HMDB01282,995.980925632,C20H30N10O25P6,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",PZCFFCOJNXGTIM,XPWFQUROSA,N,Diadenosine hexaphosphate,PZCFFCOJNXGTIM-XPWFQUROSA-N
HMDB01285,314.068426018,C10H20O7P2,CC(C)=CCC\C(C)=C\CO[P@@](=O)(O)OP(=O)(O)O,"InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+",GVVPGTZRZFNKDS,JXMROGBWSA,N,Geranyl-PP,GVVPGTZRZFNKDS-JXMROGBWSA-N
HMDB01286,412.370516158,C29H48O,[H][C@@]12CCC([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C(C)(C)[C@@H](O)CC[C@]12C,"InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22?,23+,25+,26+,28-,29-/m1/s1",CHGIKSSZNBCNDW,GKBRUXRCSA,N,"4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol",CHGIKSSZNBCNDW-GKBRUXRCSA-N
HMDB01290,879.131252359,C26H40N7O19P3S,CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCC(O)=O,"InChI=1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)",URTLOTISFJPPOU,UHFFFAOYSA,N,Glutaconyl-CoA,URTLOTISFJPPOU-UHFFFAOYSA-N
HMDB01291,919.235323499,C31H52N7O17P3S,CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b11-10+",MGNBGCRQQFMNBM,ZHACJKMWSA,N,trans-D-Decenoyl-CoA,MGNBGCRQQFMNBM-ZHACJKMWSA-N
HMDB01292,134.057908808,C5H10O4,OC[C@@H]1OC[C@@H](O)[C@@H]1O,"InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5+/m1/s1",KZVAAIRBJJYZOW,WISUUJSJSA,N,1-Deoxy-D-xylulose,KZVAAIRBJJYZOW-WISUUJSJSA-N
HMDB01294,265.9592695,C3H8O10P2,OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O,"InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1",XOHUEYCVLUUEJJ,UWTATZPHSA,N,"2,3-Diphosphoglyceric acid",XOHUEYCVLUUEJJ-UWTATZPHSA-N
HMDB01295,1077.402388825,C41H74N7O18P3S,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)C(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t26-,27-,28+,29-,32?,33-,34-,35?,39-/m1/s1",WNVFJMYPVBOLKV,PJDIVXIPSA,N,2-Hydroxyphytanoyl-CoA,WNVFJMYPVBOLKV-PJDIVXIPSA-N
HMDB01296,666.221858406,C24H42O21,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22-,23-,24-/m1/s1",LUEWUZLMQUOBSB,AYQJAVFRSA,N,Maltotetraose,LUEWUZLMQUOBSB-AYQJAVFRSA-N
HMDB01297,162.079312952,C9H10N2O,O=C1CCC(N1)C1=CN=CC=C1,"InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)",FXFANIORDKRCCA,UHFFFAOYSA,N,Norcotinine,FXFANIORDKRCCA-UHFFFAOYSA-N
HMDB01299,260.011959972,C6H13O7PS,CSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O,"InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1",CNSJRYUMVMWNMC,RITPCOANSA,N,5-Methylthioribulose 1-phosphate,CNSJRYUMVMWNMC-RITPCOANSA-N
HMDB01301,113.047678473,C5H7NO2,OC(=O)C1CCC=N1,"InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)",DWAKNKKXGALPNW,UHFFFAOYSA,N,1-Pyrroline-5-carboxylic acid,DWAKNKKXGALPNW-UHFFFAOYSA-N
HMDB01302,97.905407846,Mo,[Mo++],InChI=1S/Mo/q+2,MMVYPOCJESWGTC,UHFFFAOYSA,N,Molybdenum,MMVYPOCJESWGTC-UHFFFAOYSA-N
HMDB01303,63.929146578,Zn,[Zn++],InChI=1S/Zn/q+2,PTFCDOFLOPIGGS,UHFFFAOYSA,N,Zinc (II) ion,PTFCDOFLOPIGGS-UHFFFAOYSA-N
HMDB01308,314.0515166,C8H15N2O9P,O[C@H]1[C@@H](O)[C@H](NC(=O)CNC=O)O[C@@H]1COP(O)(O)=O,"InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1",VDXLUNDMVKSKHO,XVFCMESISA,N,5'-Phosphoribosyl-N-formylglycinamide,VDXLUNDMVKSKHO-XVFCMESISA-N
HMDB01309,213.019270834,C9H8ClNO3,OC(=O)CNC(=O)C1=CC(Cl)=CC=C1,"InChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)",ICYUIIJXZHPESK,UHFFFAOYSA,N,m-Chlorohippuric acid,ICYUIIJXZHPESK-UHFFFAOYSA-N
HMDB01310,89.047678473,C3H7NO2,C[C@@H](N)C(O)=O,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",QNAYBMKLOCPYGJ,UWTATZPHSA,N,D-Alanine,QNAYBMKLOCPYGJ-UWTATZPHSA-N
HMDB01311,90.031694058,C3H6O3,C[C@@H](O)C(O)=O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1",JVTAAEKCZFNVCJ,UWTATZPHSA,N,D-Lactic acid,JVTAAEKCZFNVCJ-UWTATZPHSA-N
HMDB01312,676.115603992,C20H26N10O13P2,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(41-19)2-39-44(35,36)43-45(37,38)42-14-7(1-31)40-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20+/m1/s1",FHISWBUCBBVWGG,SNESVTBZSA,N,Diadenosine diphosphate,FHISWBUCBBVWGG-SNESVTBZSA-N
HMDB01313,260.029718526,C6H13O9P,O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O,"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1",INAPMGSXUVUWAF,CNWJWELYSA,N,D-Myo-inositol 4-phosphate,INAPMGSXUVUWAF-CNWJWELYSA-N
HMDB01314,345.047434275,C10H12N5O7P,NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",ZOOGRGPOEVQQDX,UUOKFMHZSA,N,Cyclic GMP,ZOOGRGPOEVQQDX-UUOKFMHZSA-N
HMDB01315,30.973761512,P,[P],InChI=1S/P,OAICVXFJPJFONN,UHFFFAOYSA,N,Phosphorus,OAICVXFJPJFONN-UHFFFAOYSA-N
HMDB01316,276.024633148,C6H13O10P,O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1",BIRSGZKFKXLSJQ,SQOUGZDYSA,N,6-Phosphogluconic acid,BIRSGZKFKXLSJQ-SQOUGZDYSA-N
HMDB01318,100.088815006,C6H12O,CC(C)CCC=O,"InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3",JGEGJYXHCFUMJF,UHFFFAOYSA,N,4-Methylpentanal,JGEGJYXHCFUMJF-UHFFFAOYSA-N
HMDB01319,249.040223633,C8H12NO6P,CC1=NC=C(COP(O)(O)=O)C(CO)=C1O,"InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)",WHOMFKWHIQZTHY,UHFFFAOYSA,N,Pyridoxine 5'-phosphate,WHOMFKWHIQZTHY-UHFFFAOYSA-N
HMDB01320,352.224974134,C20H32O5,CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m1/s1",VXPBDCBTMSKCKZ,XQHNHVHJSA,N,"(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid",VXPBDCBTMSKCKZ-XQHNHVHJSA-N
HMDB01321,200.008589154,C4H9O7P,O[C@H](COP(O)(O)=O)[C@@H](O)C=O,"InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1",NGHMDNPXVRFFGS,IUYQGCFVSA,N,D-Erythrose 4-phosphate,NGHMDNPXVRFFGS-IUYQGCFVSA-N
HMDB01322,1031.360524011,C39H68N7O17P3S,CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34?,38-/m1/s1",XDUHQPOXLUAVEE,ZXQNDDKTSA,N,Oleoyl-CoA,XDUHQPOXLUAVEE-ZXQNDDKTSA-N
HMDB01324,192.089877638,C10H12N2O2,OCN1[C@@H](CCC1=O)C1=CN=CC=C1,"InChI=1S/C10H12N2O2/c13-7-12-9(3-4-10(12)14)8-2-1-5-11-6-8/h1-2,5-6,9,13H,3-4,7H2/t9-/m0/s1",GQUFOBHEPVFQMD,VIFPVBQESA,N,N'-Hydroxymethylnorcotinine,GQUFOBHEPVFQMD-VIFPVBQESA-N
HMDB01325,188.152477894,C9H20N2O2,C[N+](C)(C)CCCC[C@H](N)C([O-])=O,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1",MXNRLFUSFKVQSK,QMMMGPOBSA,N,"N6,N6,N6-Trimethyl-L-lysine",MXNRLFUSFKVQSK-QMMMGPOBSA-N
HMDB01327,84.911789341,Rb,[Rb+],InChI=1S/Rb/q+1,NCCSSGKUIKYAJD,UHFFFAOYSA,N,Rubidium,NCCSSGKUIKYAJD-UHFFFAOYSA-N
HMDB01328,564.075755818,C16H26N2O16P2,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O,"InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15?/m0/s1",YSYKRGRSMLTJNL,KFQCIAAJSA,N,dTDP-D-glucose,YSYKRGRSMLTJNL-KFQCIAAJSA-N
HMDB01329,178.11061308,C10H14N2O,CN1CCCC1(O)C1=CN=CC=C1,"InChI=1S/C10H14N2O/c1-12-7-3-5-10(12,13)9-4-2-6-11-8-9/h2,4,6,8,13H,3,5,7H2,1H3",BOQRPPFUUSHFGW,UHFFFAOYSA,N,2'-Hydroxynicotine,BOQRPPFUUSHFGW-UHFFFAOYSA-N
HMDB01330,185.032422339,C7H7NO5,N\C(C(O)=O)=C(\C=C/C=O)/C(O)=O,"InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1-,5-4-",KACPVQQHDVBVFC,OIFXTYEKSA,N,2-Amino-3-carboxymuconic acid semialdehyde,KACPVQQHDVBVFC-OIFXTYEKSA-N
HMDB01333,54.938049636,Mn,[Mn++],InChI=1S/Mn/q+2,WAEMQWOKJMHJLA,UHFFFAOYSA,N,Manganese,WAEMQWOKJMHJLA-UHFFFAOYSA-N
HMDB01335,352.224974134,C20H32O5,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC(C[C@H]12)=CCCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1",KAQKFAOMNZTLHT,OZUDYXHBSA,N,Prostaglandin I2,KAQKFAOMNZTLHT-OZUDYXHBSA-N
HMDB01336,168.042258744,C8H8O4,OC(=O)CC1=CC(O)=C(O)C=C1,"InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",CFFZDZCDUFSOFZ,UHFFFAOYSA,N,"3,4-Dihydroxybenzeneacetic acid",CFFZDZCDUFSOFZ-UHFFFAOYSA-N
HMDB01337,318.219494826,C20H30O3,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1",UFPQIRYSPUYQHK,WAQVJNLQSA,N,Leukotriene A4,UFPQIRYSPUYQHK-WAQVJNLQSA-N
HMDB01338,1005.344873947,C37H66N7O17P3S,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32?,36-/m1/s1",MNBKLUUYKPBKDU,TZIIWEFPSA,N,Palmityl-CoA,MNBKLUUYKPBKDU-TZIIWEFPSA-N
HMDB01339,881.146902423,C26H42N7O19P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O,"InChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21?,25-/m1/s1",SYKWLIJQEHRDNH,KRPIADGTSA,N,Glutaryl-CoA,SYKWLIJQEHRDNH-KRPIADGTSA-N
HMDB01340,868.038094056,C20H28N10O21P4,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1",OLGWXCQXRSSQPO,MHARETSRSA,N,Diguanosine tetraphosphate,OLGWXCQXRSSQPO-MHARETSRSA-N
HMDB01341,427.029414749,C10H15N5O10P2,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",XTWYTFMLZFPYCI,KQYNXXCUSA,N,ADP,XTWYTFMLZFPYCI-KQYNXXCUSA-N
HMDB01342,481.989262798,C10H17N2O14P3,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,"InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",NHVNXKFIZYSCEB,XLPZGREQSA,N,Thymidine 5'-triphosphate,NHVNXKFIZYSCEB-XLPZGREQSA-N
HMDB01343,228.039889282,C6H13O7P,C[C@@](O)(CCOP(O)(O)=O)CC(O)=O,"InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1",OKZYCXHTTZZYSK,ZCFIWIBFSA,N,Mevalonic acid-5P,OKZYCXHTTZZYSK-ZCFIWIBFSA-N
HMDB01345,130.123189139,C7H16NO,C[N+](C)(C)CCCC=O,"InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1",OITBLCDWXSXNCN,UHFFFAOYSA,N,4-Trimethylammoniobutanal,OITBLCDWXSXNCN-UHFFFAOYSA-N
HMDB01346,587.066588115,C16H23N5O15P2,C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@@H](O)C1=O,"InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1",PNHLMHWWFOPQLK,BKUUWRAGSA,N,GDP-4-Dehydro-6-deoxy-D-mannose,PNHLMHWWFOPQLK-BKUUWRAGSA-N
HMDB01347,246.005825762,C5H12O7P2,CC(=C)CCO[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)",NUHSROFQTUXZQQ,UHFFFAOYSA,N,Isopentenyl pyrophosphate,NUHSROFQTUXZQQ-UHFFFAOYSA-N
HMDB01348,731.606699942,C41H84N2O6P,CCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(O)(=O)OCC[N+](C)(C)C)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/p+1/b34-32+/t39-,40+/m0/s1",LKQLRGMMMAHREN,YJFXYUILSA,O,SM(d18:1/18:0),LKQLRGMMMAHREN-YJFXYUILSA-O
HMDB01349,79.916521828,Se,[Se++],InChI=1S/Se/q+2,MFSBVGSNNPNWMD,UHFFFAOYSA,N,Selenium,MFSBVGSNNPNWMD-UHFFFAOYSA-N
HMDB01351,214.024239218,C5H11O7P,OC[C@H]1OC(C[C@@H]1O)OP(O)(O)=O,"InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1",KBDKAJNTYKVSEK,PYHARJCCSA,N,Deoxyribose 1-phosphate,KBDKAJNTYKVSEK-PYHARJCCSA-N
HMDB01352,104.010958616,C3H4O4,OCC(=O)C(O)=O,"InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)",HHDDCCUIIUWNGJ,UHFFFAOYSA,N,Hydroxypyruvic acid,HHDDCCUIIUWNGJ-UHFFFAOYSA-N
HMDB01353,178.047738052,C6H10O6,OC[C@@H](O)[C@H](O)CC(=O)C(O)=O,"InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1",WPAMZTWLKIDIOP,NQXXGFSBSA,N,2-Keto-3-deoxy-D-gluconic acid,WPAMZTWLKIDIOP-NQXXGFSBSA-N
HMDB01354,455.155331439,C20H21N7O6,[H][C@@]12CN(C=[N+]1C1=C(NC2)NC(N)=NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C([O-])=O,"InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/t12-,13+/m1/s1",MEANFMOQMXYMCT,OLZOCXBDSA,N,"5,10-Methenyltetrahydrofolic acid",MEANFMOQMXYMCT-OLZOCXBDSA-N
HMDB01355,291.033029765,C10H14NO5PS,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3",LCCNCVORNKJIRZ,UHFFFAOYSA,N,Parathion,LCCNCVORNKJIRZ-UHFFFAOYSA-N
HMDB01356,867.167637865,C26H44N7O18P3S,C[C@H](O)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13-,14-,15+,18+,19+,20?,24+/m0/s1",PEKYNTFSOBAABV,SYASONGASA,N,2-Methyl-3-hydroxybutyryl-CoA,PEKYNTFSOBAABV-SYASONGASA-N
HMDB01358,284.214015518,C20H28O,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",NCYCYZXNIZJOKI,OVSJKPMPSA,N,Retinal,NCYCYZXNIZJOKI-OVSJKPMPSA-N
HMDB01359,1061.407474203,C41H74N7O17P3S,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t27-,28-,29+,30-,34-,35-,36?,40-/m1/s1",NRJQGHHZMSOUEN,IYJVDCLDSA,N,Phytanoyl-CoA,NRJQGHHZMSOUEN-IYJVDCLDSA-N
HMDB01361,27.99491462,CO,[C-]#[O+],InChI=1S/CO/c1-2,UGFAIRIUMAVXCW,UHFFFAOYSA,N,Carbon monoxide,UGFAIRIUMAVXCW-UHFFFAOYSA-N
HMDB01362,2.015650064,H2,[H][H],InChI=1S/H2/h1H,UFHFLCQGNIYNRP,UHFFFAOYSA,N,Hydrogen,UFHFLCQGNIYNRP-UHFFFAOYSA-N
HMDB01364,586.962075569,C10H17N5O16P4,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",WWMWAMFHUSTZTA,KQYNXXCUSA,N,Adenosine tetraphosphate,WWMWAMFHUSTZTA-KQYNXXCUSA-N
HMDB01365,191.118438112,C11H15N2O,CN1C(CCC1=O)C1=C[N+](C)=CC=C1,"InChI=1S/C11H15N2O/c1-12-7-3-4-9(8-12)10-5-6-11(14)13(10)2/h3-4,7-8,10H,5-6H2,1-2H3/q+1",VHRXFWHPQMABEK,UHFFFAOYSA,N,Cotinine methonium ion,VHRXFWHPQMABEK-UHFFFAOYSA-N
HMDB01366,120.043596148,C5H4N4,N1C=NC2=C1C=NC=N2,"InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)",KDCGOANMDULRCW,UHFFFAOYSA,N,Purine,KDCGOANMDULRCW-UHFFFAOYSA-N
HMDB01367,301.056267627,C8H16NO9P,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(O)=O,"InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1",FZLJPEPAYPUMMR,RTRLPJTCSA,N,N-Acetyl-glucosamine 1-phosphate,FZLJPEPAYPUMMR-RTRLPJTCSA-N
HMDB01368,119.988114684,C3H4O3S,OC(=O)C(=O)CS,"InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)",OJOLFAIGOXZBCI,UHFFFAOYSA,N,3-Mercaptopyruvic acid,OJOLFAIGOXZBCI-UHFFFAOYSA-N
HMDB01369,129.042593095,C5H7NO3,OC1CC(N=C1)C(O)=O,"InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9)",WFOFKRKDDKGRIK,UHFFFAOYSA,N,Pyrroline hydroxycarboxylic acid,WFOFKRKDDKGRIK-UHFFFAOYSA-N
HMDB01370,190.095356946,C7H14N2O4,N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",GMKMEZVLHJARHF,WHFBIAKZSA,N,Diaminopimelic acid,GMKMEZVLHJARHF-WHFBIAKZSA-N
HMDB01371,28.00614801,N2,N#N,InChI=1S/N2/c1-2,IJGRMHOSHXDMSA,UHFFFAOYSA,N,Nitrogen,IJGRMHOSHXDMSA-UHFFFAOYSA-N
HMDB01372,425.044967696,C12H19N4O7P2S,CC1=C(CCO[P@](O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1",AYEKOFBPNLCAJY,UHFFFAOYSA,O,Thiamine pyrophosphate,AYEKOFBPNLCAJY-UHFFFAOYSA-O
HMDB01373,687.148877955,C21H35N7O13P2S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS,"InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16?,20-/m1/s1",KDTSHFARGAKYJN,DRCCLKDXSA,N,Dephospho-CoA,KDTSHFARGAKYJN-DRCCLKDXSA-N
HMDB01374,1157.392218069,C45H74N7O20P3S,[H][C@@]12CCC(C(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)N3C=NC4=C3N=CN=C4N)C1(C)[C@@H](O)C[C@@]1([H])C2[C@H](O)CC2C[C@H](O)CCC12C,"InChI=1S/C45H74N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-31,34,36-38,42,53-55,58-59H,6-20H2,1-5H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t23?,24?,25-,26?,27+,28+,29-,30-,31+,34?,36-,37-,38?,42-,44?,45?/m1/s1",ZKWNOTQHFKYUNU,TVKZAFKCSA,N,Choloyl-CoA,ZKWNOTQHFKYUNU-TVKZAFKCSA-N
HMDB01375,911.157467109,C27H44N7O20P3S,C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21?,25-,27+/m1/s1",CABVTRNMFUVUDM,MIGRVSMKSA,N,3-Hydroxy-3-methylglutaryl-CoA,CABVTRNMFUVUDM-MIGRVSMKSA-N
HMDB01376,258.014068462,C6H11O9P,O[C@H](COP(O)(O)=O)[C@@H](O)CC(=O)C(O)=O,"InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1",OVPRPPOVAXRCED,WVZVXSGGSA,N,2-Keto-3-deoxy-6-phosphogluconic acid,OVPRPPOVAXRCED-WVZVXSGGSA-N
HMDB01377,31.989829244,O2,O=O,InChI=1S/O2/c1-2,MYMOFIZGZYHOMD,UHFFFAOYSA,N,Oxygen,MYMOFIZGZYHOMD-UHFFFAOYSA-N
HMDB01379,788.071763646,C20H27N10O18P3,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@H]1O,"InChI=1S/C20H27N10O18P3/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(45-17)1-43-49(37,38)47-51(41,42)48-50(39,40)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1",AAXYAFFKOSNMEB,MHARETSRSA,N,Diguanosine triphosphate,AAXYAFFKOSNMEB-MHARETSRSA-N
HMDB01380,948.004424466,C20H29N10O24P5,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1O[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@H](O)[C@@H]1O,"InChI=1S/C20H29N10O24P5/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(49-17)1-47-55(37,38)51-57(41,42)53-59(45,46)54-58(43,44)52-56(39,40)48-2-6-10(32)12(34)18(50-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6+,9-,10+,11-,12+,17-,18+",RELSGTOCAPVUGP,DTFXMBEISA,N,Diguanosine pentaphosphate,RELSGTOCAPVUGP-DTFXMBEISA-N
HMDB01381,352.224974134,C20H32O5,CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",YIBNHAJFJUQSRA,YNNPMVKQSA,N,Prostaglandin H2,YIBNHAJFJUQSRA-YNNPMVKQSA-N
HMDB01382,117.078978601,C5H11NO2,CC(C)CCON=O,"InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3",OWFXIOWLTKNBAP,UHFFFAOYSA,N,Vaporole,OWFXIOWLTKNBAP-UHFFFAOYSA-N
HMDB01383,381.264409907,C18H40NO5P,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O,"InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1",YHEDRJPUIRMZMP,ZWKOTPCHSA,N,Sphinganine 1-phosphate,YHEDRJPUIRMZMP-ZWKOTPCHSA-N
HMDB01385,178.047738052,C6H10O6,OC[C@H]1O[C@@H](O)[C@H](O)C(=O)[C@H]1O,"InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5-,6-/m1/s1",APIQNBNBIICCON,FKMSRSAHSA,N,3-Keto-b-D-galactose,APIQNBNBIICCON-FKMSRSAHSA-N
HMDB01387,151.099714043,C9H13NO,CNCC(O)C1=CC=CC=C1,"InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3",ZCTYHONEGJTYQV,UHFFFAOYSA,N,N-Methylphenylethanolamine,ZCTYHONEGJTYQV-UHFFFAOYSA-N
HMDB01388,278.224580204,C18H30O2,CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-",DTOSIQBPPRVQHS,PDBXOOCHSA,N,Alpha-Linolenic acid,DTOSIQBPPRVQHS-PDBXOOCHSA-N
HMDB01389,232.121177766,C13H16N2O2,COC1=CC2=C(NC=C2CCNC(C)=O)C=C1,"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",DRLFMBDRBRZALE,UHFFFAOYSA,N,Melatonin,DRLFMBDRBRZALE-UHFFFAOYSA-N
HMDB01390,192.089877638,C10H12N2O2,CN1[C@@H](CC(O)C1=O)C1=CN=CC=C1,"InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9?/m0/s1",XOKCJXZZNAUIQN,IENPIDJESA,N,Hydroxycotinine,XOKCJXZZNAUIQN-IENPIDJESA-N
HMDB01391,587.066588115,C16H23N5O15P2,C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OCC2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@H](O)C1=O,"InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5?,8+,9+,10+,11-,14+,15?/m0/s1",PNHLMHWWFOPQLK,GTXIGXBOSA,N,GDP-4-Dehydro-6-L-deoxygalactose,PNHLMHWWFOPQLK-GTXIGXBOSA-N
HMDB01392,137.047678473,C7H7NO2,NC1=CC=C(C=C1)C(O)=O,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",ALYNCZNDIQEVRV,UHFFFAOYSA,N,p-Aminobenzoic acid,ALYNCZNDIQEVRV-UHFFFAOYSA-N
HMDB01394,1039.039280225,C26H41NO34S4,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(O)(=O)=O)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)O[C@H](O[C@H]3[C@H](O)[C@@H](OS(O)(=O)=O)C(O)O[C@H]3C(O)=O)[C@H](OS(O)(=O)=O)[C@H]2CS(O)(=O)=O)O[C@@H]1C(O)=O,"InChI=1S/C26H41NO34S4/c1-4(28)27-7-9(30)8(29)6(2-52-63(43,44)45)53-24(7)56-15-10(31)11(32)25(58-19(15)21(36)37)55-13-5(3-62(40,41)42)14(60-64(46,47)48)26(59-22(13)38)57-16-12(33)17(61-65(49,50)51)23(39)54-18(16)20(34)35/h5-19,22-26,29-33,38-39H,2-3H2,1H3,(H,27,28)(H,34,35)(H,36,37)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t5-,6+,7+,8+,9+,10+,11+,12-,13-,14+,15-,16-,17+,18+,19-,22-,23?,24+,25+,26-/m0/s1",ZFGMDIBRIDKWMY,PASTXAENSA,N,Heparin,ZFGMDIBRIDKWMY-PASTXAENSA-N
HMDB01396,459.186631567,C20H25N7O6,CN1C(CNC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2,"InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m1/s1",ZNOVTXRBGFNYRX,ZGTCLIOFSA,N,5-Methyltetrahydrofolic acid,ZNOVTXRBGFNYRX-ZGTCLIOFSA-N
HMDB01397,363.057998961,C10H14N5O8P,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",RQFCJASXJCIDSX,UUOKFMHZSA,N,Guanosine monophosphate,RQFCJASXJCIDSX-UUOKFMHZSA-N
HMDB01398,124.052429498,C7H8O2,COC1=C(O)C=CC=C1,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",LHGVFZTZFXWLCP,UHFFFAOYSA,N,Guaiacol,LHGVFZTZFXWLCP-UHFFFAOYSA-N
HMDB01399,546.065191132,C16H24N2O15P2,C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@@H](O)C1=O,"InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12+,13-,15?/m1/s1",PSXWNITXWWECNY,SRPWTXKTSA,N,"4,6-Dideoxy-4-oxo-dTDP-D-glucose",PSXWNITXWWECNY-SRPWTXKTSA-N
HMDB01401,260.029718526,C6H13O9P,OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1",NBSCHQHZLSJFNQ,GASJEMHNSA,N,Glucose 6-phosphate,NBSCHQHZLSJFNQ-GASJEMHNSA-N
HMDB01403,352.224974134,C20H32O5,[H][C@](O)(CCCCC)\C=C\[C@@]1([H])C(=O)C[C@]([H])(O)[C@]1([H])C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1",BHMBVRSPMRCCGG,OUTUXVNYSA,N,Prostaglandin D2,BHMBVRSPMRCCGG-OUTUXVNYSA-N
HMDB01405,150.970118896,C3H3O5S,OC(=O)C(=O)CS([O-])=O,"InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)/p-1",JXYLQEMXCAAMOL,UHFFFAOYSA,M,3-Sulfinylpyruvic acid,JXYLQEMXCAAMOL-UHFFFAOYSA-M
HMDB01406,122.048012824,C6H6N2O,NC(=O)C1=CC=CN=C1,"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",DFPAKSUCGFBDDF,UHFFFAOYSA,N,Niacinamide,DFPAKSUCGFBDDF-UHFFFAOYSA-N
HMDB01409,308.040951914,C9H13N2O8P,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",JSRLJPSBLDHEIO,SHYZEUOFSA,N,dUMP,JSRLJPSBLDHEIO-SHYZEUOFSA-N
HMDB01410,267.060368423,C9H9N5O5,CC(=O)C(=O)C1=NC2=C(N=C(N)NC2=O)N(O)C1O,"InChI=1S/C9H9N5O5/c1-2(15)5(16)3-8(18)14(19)6-4(11-3)7(17)13-9(10)12-6/h8,18-19H,1H3,(H3,10,12,13,17)",QBHQZPRDJMYEDG,UHFFFAOYSA,N,"2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine",QBHQZPRDJMYEDG-UHFFFAOYSA-N
HMDB01411,192.089877638,C10H12N2O2,CN1[C@@H](CCC1=O)C1=C[N+]([O-])=CC=C1,"InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1",CIPULDKLIIVIER,VIFPVBQESA,N,Cotinine N-oxide,CIPULDKLIIVIER-VIFPVBQESA-N
HMDB01412,314.112738344,C14H14N6O3,NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(O)=O)CN2)C(=O)N1,"InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)",WBFYVDCHGVNRBH,UHFFFAOYSA,N,"7,8-Dihydropteroic acid",WBFYVDCHGVNRBH-UHFFFAOYSA-N
HMDB01413,488.107330718,C14H26N4O11P2,C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,"InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1",RZZPDXZPRHQOCG,OJAKKHQRSA,N,Citicoline,RZZPDXZPRHQOCG-OJAKKHQRSA-N
HMDB01414,88.100048394,C4H12N2,NCCCCN,InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2,KIDHWZJUCRJVML,UHFFFAOYSA,N,Putrescine,KIDHWZJUCRJVML-UHFFFAOYSA-N
HMDB01416,358.096358302,C11H23N2O7PS,CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(=O)NCCS,"InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)",JDMUPRLRUUMCTL,UHFFFAOYSA,N,Pantetheine 4'-phosphate,JDMUPRLRUUMCTL-UHFFFAOYSA-N
HMDB01417,118.917708124,MnO4,[O-][Mn](=O)(=O)=O,InChI=1S/Mn.4O/q;;;;-1,NPDODHDPVPPRDJ,UHFFFAOYSA,N,Permanganate,NPDODHDPVPPRDJ-UHFFFAOYSA-N
HMDB01419,402.349780716,C27H46O2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C,"InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1",IOWMKBFJCNLRTC,XWXSNNQWSA,N,24-Hydroxycholesterol,IOWMKBFJCNLRTC-XWXSNNQWSA-N
HMDB01420,416.329045274,C27H44O3,[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(O)CO)[C@@]1(C)CC\C(C2)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C27H44O3/c1-19-7-11-24(29)17-22(19)9-8-21-13-15-27(4)23(16-21)10-12-25(27)20(2)6-5-14-26(3,30)18-28/h8-9,20,23-25,28-30H,1,5-7,10-18H2,2-4H3/b21-8-,22-9-/t20-,23+,24+,25-,26?,27+/m1/s1",WWGCQHXFACVYPT,JKVVTCAUSA,N,"25,26-dihydroxyvitamin D",WWGCQHXFACVYPT-JKVVTCAUSA-N
HMDB01421,440.36543078,C30H48O2,[H][C@@]1(CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)[C@H](C)CCC=C(C)C,"InChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25?,26+,28-,29-,30-/m1/s1",PGGIMLIQOHYFIS,DHVLVQQASA,N,"4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol",PGGIMLIQOHYFIS-DHVLVQQASA-N
HMDB01422,205.155217548,C9H21N2O3,C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O,"InChI=1S/C9H20N2O3/c1-11(2,3)6-4-5-7(12)8(10)9(13)14/h7-8,12H,4-6,10H2,1-3H3/p+1/t7?,8-/m0/s1",ZRJHLGYVUCPZNH,MQWKRIRWSA,O,"3-Hydroxy-N6,N6,N6-trimethyl-L-lysine",ZRJHLGYVUCPZNH-MQWKRIRWSA-O
HMDB01423,767.115208365,C21H36N7O16P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS,"InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1",RGJOEKWQDUBAIZ,DRCCLKDXSA,N,Coenzyme A,RGJOEKWQDUBAIZ-DRCCLKDXSA-N
HMDB01424,163.063328537,C9H9NO2,OC(=O)C\C=C\C1=CN=CC=C1,"InChI=1S/C9H9NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h1-4,6-7H,5H2,(H,11,12)/b3-1+",MHVJWSPYMHAALE,HNQUOIGGSA,N,4-(3-Pyridyl)-3-butenoic acid,MHVJWSPYMHAALE-HNQUOIGGSA-N
HMDB01425,350.118794504,C18H22O5S,C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OS(O)(=O)=O)=C4)[C@@H]1CCC2=O,"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1",JKKFKPJIXZFSSB,CBZIJGRNSA,N,Estrone sulfate,JKKFKPJIXZFSSB-CBZIJGRNSA-N
HMDB01426,30.010564686,CH2O,C=O,InChI=1S/CH2O/c1-2/h1H2,WSFSSNUMVMOOMR,UHFFFAOYSA,N,Formaldehyde,WSFSSNUMVMOOMR-UHFFFAOYSA-N
HMDB01427,192.089877638,C10H12N2O2,CN1C(=O)CC[C@@]1(O)C1=CN=CC=C1,"InChI=1S/C10H12N2O2/c1-12-9(13)4-5-10(12,14)8-3-2-6-11-7-8/h2-3,6-7,14H,4-5H2,1H3/t10-/m1/s1",BBNHNZGTKSWIHD,SNVBAGLBSA,N,5'-Hydroxycotinine,BBNHNZGTKSWIHD-SNVBAGLBSA-N
HMDB01429,94.95342,O4P,[O-]P([O-])([O-])=O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3",NBIIXXVUZAFLBC,UHFFFAOYSA,K,Phosphate,NBIIXXVUZAFLBC-UHFFFAOYSA-K
HMDB01430,193.037507717,C9H7NO4,OC(=O)[C@H]1NC2=CC(=O)C(=O)CC2=C1,"InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1,3,6,10H,2H2,(H,13,14)/t6-/m0/s1",CKZOQLKEDKSKJR,LURJTMIESA,N,L-Dopachrome,CKZOQLKEDKSKJR-LURJTMIESA-N
HMDB01431,168.089877638,C8H12N2O2,CC1=C(O)C(CN)=C(CO)C=N1,"InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3",NHZMQXZHNVQTQA,UHFFFAOYSA,N,Pyridoxamine,NHZMQXZHNVQTQA-UHFFFAOYSA-N
HMDB01432,130.121846468,C5H14N4,NCCCCNC(N)=N,"InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)",QYPPJABKJHAVHS,UHFFFAOYSA,N,Agmatine,QYPPJABKJHAVHS-UHFFFAOYSA-N
HMDB01433,1075.947256042,C20H31N10O28P7,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,"InChI=1S/C20H31N10O28P7/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(51-19)1-49-59(35,36)53-61(39,40)55-63(43,44)57-65(47,48)58-64(45,46)56-62(41,42)54-60(37,38)50-2-8-12(32)14(34)20(52-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",IBORMIZOWBHWTG,XPWFQUROSA,N,Diadenosine heptaphosphate,IBORMIZOWBHWTG-XPWFQUROSA-N
HMDB01434,211.084457909,C10H13NO4,COC1=CC(CC(N)C(O)=O)=CC=C1O,"InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)",PFDUUKDQEHURQC,UHFFFAOYSA,N,3-Methoxytyrosine,PFDUUKDQEHURQC-UHFFFAOYSA-N
HMDB01438,412.334130652,C28H44O2,C[C@H](\C=C\[C@H](C)C(O)(C)C)C1CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25?,26+,28-/m1/s1",KJKIIUAXZGLUND,BJWBXCNSSA,N,25-Hydroxyvitamin D2,KJKIIUAXZGLUND-BJWBXCNSSA-N
HMDB01439,366.05766461,C10H15N4O9P,NC(=O)C1=C(NC=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1",ABCOOORLYAOBOZ,KQYNXXCUSA,N,Phosphoribosyl formamidocarboxamide,ABCOOORLYAOBOZ-KQYNXXCUSA-N
HMDB01440,506.995745159,C10H16N5O13P3,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,"InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",HAAZLUGHYHWQIW,KVQBGUIXSA,N,dGTP,HAAZLUGHYHWQIW-KVQBGUIXSA-N
HMDB01441,134.059246212,C6H6N4,C1CN=C2N=CN=CC2=N1,"InChI=1S/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4H,1-2H2",KVDQMARGGBLIJM,UHFFFAOYSA,N,Dihydropteridine,KVDQMARGGBLIJM-UHFFFAOYSA-N
HMDB01442,354.240624198,C20H34O5,CCCCC[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1",GMVPRGQOIOIIMI,DODZYUBVSA,N,Prostaglandin E1,GMVPRGQOIOIIMI-DODZYUBVSA-N
HMDB01443,78.958505378,O3P,[O-]P([O-])[O-],InChI=1S/O3P/c1-4(2)3/q-3,AQSJGOWTSHOLKH,UHFFFAOYSA,N,Phosphite,AQSJGOWTSHOLKH-UHFFFAOYSA-N
HMDB01444,1155.913586452,C20H32N10O31P8,NC1=NC=NC2=C1N=CN2[C@@H]1OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,"InChI=1S/C20H32N10O31P8/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(53-19)1-51-62(35,36)55-64(39,40)57-66(43,44)59-68(47,48)61-69(49,50)60-67(45,46)58-65(41,42)56-63(37,38)52-2-8-12(32)14(34)20(54-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,21,23,25)(H2,22,24,26)/t7-,8?,11-,12-,13-,14-,19-,20-/m1/s1",KNWWPGOAVAWQPI,KEQCZIJCSA,N,Adenosine octaphosphate,KNWWPGOAVAWQPI-KEQCZIJCSA-N
HMDB01445,587.226048869,C23H43NO12P2,OC[C@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O,"InChI=1S/C23H43NO12P2/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-33-37(29,30)36-38(31,32)35-23-20(24-18(5)26)22(28)21(27)19(14-25)34-23/h8,10,17,19-23,25,27-28H,6-7,9,11-14H2,1-5H3,(H,24,26)(H,29,30)(H,31,32)/b16-10+/t17?,19-,20-,21-,22-,23+/m1/s1",OZGJPDIBINDRGZ,GKXPKBPWSA,N,N-Acetyl-D-glucosaminyldiphosphodolichol,OZGJPDIBINDRGZ-GKXPKBPWSA-N
HMDB01448,95.951729178,O4S,[O-]S([O-])(=O)=O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2",QAOWNCQODCNURD,UHFFFAOYSA,L,Sulfate,QAOWNCQODCNURD-UHFFFAOYSA-L
HMDB01449,318.255880332,C21H34O2,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1",AURFZBICLPNKBZ,SYBPFIFISA,N,Allopregnanolone,AURFZBICLPNKBZ-SYBPFIFISA-N
HMDB01451,206.043521072,C8H14O2S2,OC(=O)CCCC[C@@H]1CCSS1,"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1",AGBQKNBQESQNJD,SSDOTTSWSA,N,(R)-lipoic acid,AGBQKNBQESQNJD-SSDOTTSWSA-N
HMDB01452,352.224974134,C20H32O5,CCCCC[C@H](O)\C=C\[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1",DSNBHJFQCNUKMA,SCKDECHMSA,N,Thromboxane A2,DSNBHJFQCNUKMA-SCKDECHMSA-N
HMDB01453,57.975144695,CNS,[S-]C#N,InChI=1S/CHNS/c2-1-3/h3H/p-1,ZMZDMBWJUHKJPS,UHFFFAOYSA,M,Thiocyanate,ZMZDMBWJUHKJPS-UHFFFAOYSA-M
HMDB01454,852.043179434,C20H28N10O20P4,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,"InChI=1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(46-18)1-44-51(36,37)48-53(40,41)50-54(42,43)49-52(38,39)45-2-7-11(32)13(34)19(47-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1",SJXJAXXRDJWRCR,INFSMZHSSA,N,Guanosine tetraphosphate adenosine,SJXJAXXRDJWRCR-INFSMZHSSA-N
HMDB01455,318.255880332,C21H34O2,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1",AURFZBICLPNKBZ,FZCSVUEKSA,N,Alloepipregnanolone,AURFZBICLPNKBZ-FZCSVUEKSA-N
HMDB01457,420.360345402,C27H48O3,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",RIVQQZVHIVNQFH,XJZYBRFWSA,N,"5-b-Cholestane-3a ,7a ,12a-triol",RIVQQZVHIVNQFH-XJZYBRFWSA-N
HMDB01458,243.104147493,C10H17N3O2S,[H][C@@]12CS[C@H](CCCCC(N)=O)[C@]1([H])NC(=O)N2,"InChI=1S/C10H17N3O2S/c11-8(14)4-2-1-3-7-9-6(5-16-7)12-10(15)13-9/h6-7,9H,1-5H2,(H2,11,14)(H2,12,13,15)/t6-,7-,9-/m1/s1",XFLVBMBRLSCJAI,ZXFLCMHBSA,N,Biotin amide,XFLVBMBRLSCJAI-ZXFLCMHBSA-N
HMDB01459,772.076849024,C20H27N10O17P3,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H](C(O)C3O)N3C=NC4=C3N=CN=C4N)C(O)C2O)C(=O)N1,"InChI=1S/C20H27N10O17P3/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(44-18)1-42-48(36,37)46-50(40,41)47-49(38,39)43-2-7-11(32)13(34)19(45-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10?,11?,12?,13?,18-,19-/m1/s1",PMJUJCUPNRCBNP,KNKPYYCGSA,N,Guanosine triphosphate adenosine,PMJUJCUPNRCBNP-KNKPYYCGSA-N
HMDB01460,170.01665142,C4H11O3PS,CCOP(O)(=S)OCC,"InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)",PKUWKAXTAVNIJR,UHFFFAOYSA,N,Diethylthiophosphate,PKUWKAXTAVNIJR-UHFFFAOYSA-N
HMDB01466,137.084063979,C8H11NO,C[N+](C)([O-])C1=CC=CC=C1,"InChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3",LKQUDAOAMBKKQW,UHFFFAOYSA,N,Dimethylaniline-N-oxide,LKQUDAOAMBKKQW-UHFFFAOYSA-N
HMDB01469,926.631828322,C55H92O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,"InChI=1S/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+",NTXGVHCCXVHYCL,RDQGWRCRSA,N,Undecaprenyl diphosphate,NTXGVHCCXVHYCL-RDQGWRCRSA-N
HMDB01470,100.0524295,C5H8O2,C\C=C(/C)C(O)=O,"InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+",UIERETOOQGIECD,ONEGZZNKSA,N,Tiglic acid,UIERETOOQGIECD-ONEGZZNKSA-N
HMDB01471,318.255880332,C21H34O2,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1",AURFZBICLPNKBZ,GRWISUQFSA,N,Epipregnanolone,AURFZBICLPNKBZ-GRWISUQFSA-N
HMDB01472,932.009509844,C20H29N10O23P5,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,"InChI=1S/C20H29N10O23P5/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(48-18)1-46-54(36,37)50-56(40,41)52-58(44,45)53-57(42,43)51-55(38,39)47-2-7-11(32)13(34)19(49-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1",CNMILLPGDWDFCZ,INFSMZHSSA,N,Guanosine pentaphosphate adenosine,CNMILLPGDWDFCZ-INFSMZHSSA-N
HMDB01473,169.998024468,C3H7O6P,OCC(=O)COP(O)(O)=O,"InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)",GNGACRATGGDKBX,UHFFFAOYSA,N,Dihydroxyacetone phosphate,GNGACRATGGDKBX-UHFFFAOYSA-N
HMDB01474,250.014723364,C8H10O7S,OCC(O)C1=CC(O)=C(OS(O)(=O)=O)C=C1,"InChI=1S/C8H10O7S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,9-11H,4H2,(H,12,13,14)",MFYFKAXYRXODPL,UHFFFAOYSA,N,"3,4-Dihydroxyphenylglycol O-sulfate",MFYFKAXYRXODPL-UHFFFAOYSA-N
HMDB01475,89.904703679,Zr,[Zr+4],InChI=1S/Zr/q+4,GBNDTYKAOXLLID,UHFFFAOYSA,N,Zirconium,GBNDTYKAOXLLID-UHFFFAOYSA-N
HMDB01476,153.042593095,C7H7NO3,NC1=C(O)C=CC=C1C(O)=O,"InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)",WJXSWCUQABXPFS,UHFFFAOYSA,N,3-Hydroxyanthranilic acid,WJXSWCUQABXPFS-UHFFFAOYSA-N
HMDB01478,71.949056008,GaH3,[GaH3],InChI=1S/Ga.3H,PHMDYZQXPPOZDG,UHFFFAOYSA,N,Gallium,PHMDYZQXPPOZDG-UHFFFAOYSA-N
HMDB01480,299.282429433,C18H37NO2,CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1",KBUNOSOGGAARKZ,KRWDZBQOSA,N,3-Dehydrosphinganine,KBUNOSOGGAARKZ-KRWDZBQOSA-N
HMDB01481,259.036187087,C6H13NO8S,OC[C@H]1O[C@@H](O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6-/m1/s1",PRDZVHCOEWJPOB,QZABAPFNSA,N,N-Sulfo-D-glucosamine,PRDZVHCOEWJPOB-QZABAPFNSA-N
HMDB01483,354.240624198,C20H34O5,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19+/m0/s1",PXGPLTODNUVGFL,JZFBHDEDSA,N,Prostaglandin F2b,PXGPLTODNUVGFL-JZFBHDEDSA-N
HMDB01484,851.136337737,C25H40N7O18P3S,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20?,24-/m1/s1",OJFDKHTZOUZBOS,XBTRWLRFSA,N,Acetoacetyl-CoA,OJFDKHTZOUZBOS-XBTRWLRFSA-N
HMDB01485,114.140850576,C8H18,CCCCCCCC,"InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3",TVMXDCGIABBOFY,UHFFFAOYSA,N,Octane,TVMXDCGIABBOFY-UHFFFAOYSA-N
HMDB01487,665.124771695,C21H29N7O14P2,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,"InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",BOPGDPNILDQYTO,NNYOXOHSSA,N,NADH,BOPGDPNILDQYTO-NNYOXOHSSA-N
HMDB01488,123.032028409,C6H5NO2,OC(=O)C1=CN=CC=C1,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",PVNIIMVLHYAWGP,UHFFFAOYSA,N,Nicotinic acid,PVNIIMVLHYAWGP-UHFFFAOYSA-N
HMDB01489,230.01915384,C5H11O8P,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O,"InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1",YXJDFQJKERBOBM,TXICZTDVSA,N,Ribose 1-phosphate,YXJDFQJKERBOBM-TXICZTDVSA-N
HMDB01490,184.073558872,C9H12O4,COC1=CC(=CC=C1O)C(O)CO,"InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3",FBWPWWWZWKPJFL,UHFFFAOYSA,N,Vanylglycol,FBWPWWWZWKPJFL-UHFFFAOYSA-N
HMDB01491,247.024573569,C8H10NO6P,CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O,"InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)",NGVDGCNFYWLIFO,UHFFFAOYSA,N,Pyridoxal 5'-phosphate,NGVDGCNFYWLIFO-UHFFFAOYSA-N
HMDB01492,416.36543078,C28H48O2,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=CC(O)=C(C)C(C)=C2O1,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3",QUEDXNHFTDJVIY,UHFFFAOYSA,N,Gamma-Tocopherol,QUEDXNHFTDJVIY-UHFFFAOYSA-N
HMDB01493,849.157073179,C26H42N7O17P3S,CC(C)=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1",BXIPALATIYNHJN,TVCSPYKZSA,N,3-Methylcrotonyl-CoA,BXIPALATIYNHJN-TVCSPYKZSA-N
HMDB01494,139.987459782,C2H5O5P,CC(=O)OP(O)(O)=O,"InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)",LIPOUNRJVLNBCD,UHFFFAOYSA,N,Acetylphosphate,LIPOUNRJVLNBCD-UHFFFAOYSA-N
HMDB01495,277.117489371,C12H15N5O3,O[C@@H]1C=C[C@@H](NCC2=CNC3=C2C(=O)NC(=N)N3)[C@@H]1O,"InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m1/s1",WYROLENTHWJFLR,BHNWBGBOSA,N,Queuine,WYROLENTHWJFLR-BHNWBGBOSA-N
HMDB01496,402.349780716,C27H46O2,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22-,23+,24-,25?,26+,27-/m1/s1",OYXZMSRRJOYLLO,AWBHSAGMSA,N,7a-Hydroxycholesterol,OYXZMSRRJOYLLO-AWBHSAGMSA-N
HMDB01497,178.11061308,C10H14N2O,C[N+]1([O-])CCCC1C1=CN=CC=C1,"InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",RWFBQHICRCUQJJ,UHFFFAOYSA,N,Nicotine-1'-N-oxide,RWFBQHICRCUQJJ-UHFFFAOYSA-N
HMDB01498,419.962379346,C6H15O15P3,O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1",MMWCIQZXVOZEGG,XJTPDSDZSA,N,"Inositol 1,4,5-trisphosphate",MMWCIQZXVOZEGG-XJTPDSDZSA-N
HMDB01499,589.082238179,C16H25N5O15P2,C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1",LQEBEXMHBLQMDB,GDJBGNAASA,N,GDP-D-Rhamnose,LQEBEXMHBLQMDB-GDJBGNAASA-N
HMDB01501,692.110518614,C20H26N10O14P2,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,"InChI=1S/C20H26N10O14P2/c21-14-8-15(24-3-23-14)29(4-25-8)19-13(43-45(35,36)37)12(6(1-31)41-19)44-46(38,39)40-2-7-10(32)11(33)18(42-7)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,38,39)(H2,21,23,24)(H2,35,36,37)(H3,22,27,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1",LHSVDZHIRYSVJP,INFSMZHSSA,N,Guanosine diphosphate adenosine,LHSVDZHIRYSVJP-INFSMZHSSA-N
HMDB01504,261.058850585,C10H16NO3PS,CCOP(=S)(OCC)OC1=CC=C(N)C=C1,"InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3",XIZOTXGJXSTQDI,UHFFFAOYSA,N,Aminoparathion,XIZOTXGJXSTQDI-UHFFFAOYSA-N
HMDB01505,78.046950192,C6H6,C1=CC=CC=C1,InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,UHOVQNZJYSORNB,UHFFFAOYSA,N,Benzene,UHOVQNZJYSORNB-UHFFFAOYSA-N
HMDB01507,708.105433236,C20H26N10O15P2,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@H]1O,"InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(43-17)1-41-46(37,38)45-47(39,40)42-2-6-10(32)12(34)18(44-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1",LFEYGVXBDRXHGF,MHARETSRSA,N,Diguanosine diphosphate,LFEYGVXBDRXHGF-MHARETSRSA-N
HMDB01508,411.034500127,C10H15N5O9P2,NC1=NC=NC2=C1N=CN2C1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1,"InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7?/m0/s1",DAEAPNUQQAICNR,GFCOJPQKSA,N,dADP,DAEAPNUQQAICNR-GFCOJPQKSA-N
HMDB01509,352.224974134,C20H32O5,OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,"InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1",PTJFJXLGRSTECQ,PSPARDEHSA,N,20-Hydroxy-leukotriene B4,PTJFJXLGRSTECQ-PSPARDEHSA-N
HMDB01510,239.10769191,C13H18ClNO,CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1,"InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3",SNPPWIUOZRMYNY,UHFFFAOYSA,N,Bupropion,SNPPWIUOZRMYNY-UHFFFAOYSA-N
HMDB01511,211.035806957,C4H10N3O5P,CN(CC(O)=O)C(=N)NP(O)(O)=O,"InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)",DRBBFCLWYRJSJZ,UHFFFAOYSA,N,Phosphocreatine,DRBBFCLWYRJSJZ-UHFFFAOYSA-N
HMDB01512,505.011298106,C12H20N4O10P3S,CC1=C(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=C(N)N=C(C)N=C1,"InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p+1",IWLROWZYZPNOFC,UHFFFAOYSA,O,Thiamine triphosphate,IWLROWZYZPNOFC-UHFFFAOYSA-O
HMDB01513,344.11537621,C12H26O7P2,CC\C(C)=C\CCCC(C)CCOP(O)(=O)OP(O)(O)=O,"InChI=1S/C12H26O7P2/c1-4-11(2)7-5-6-8-12(3)9-10-18-21(16,17)19-20(13,14)15/h7,12H,4-6,8-10H2,1-3H3,(H,16,17)(H2,13,14,15)/b11-7+",FFBTVOMODCZDNV,YRNVUSSQSA,N,Dolichyl diphosphate,FFBTVOMODCZDNV-YRNVUSSQSA-N
HMDB01514,179.079372531,C6H13NO5,N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1",MSWZFWKMSRAUBD,IVMDWMLBSA,N,Glucosamine,MSWZFWKMSRAUBD-IVMDWMLBSA-N
HMDB01517,338.062749988,C9H15N4O8P,NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1",NOTGFIUVDGNKRI,UUOKFMHZSA,N,AICAR,NOTGFIUVDGNKRI-UUOKFMHZSA-N
HMDB01518,278.151809192,C16H22O4,CC1=C(C)C2=C(CCC(C)(CCC(O)=O)O2)C(C)=C1O,"InChI=1S/C16H22O4/c1-9-10(2)15-12(11(3)14(9)19)5-7-16(4,20-15)8-6-13(17)18/h19H,5-8H2,1-4H3,(H,17,18)",AXODOWFEFKOVSH,UHFFFAOYSA,N,Alpha-CEHC,AXODOWFEFKOVSH-UHFFFAOYSA-N
HMDB01520,456.104614802,C17H21N4O9P,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",FVTCRASFADXXNN,SCRDCRAPSA,N,Flavin Mononucleotide,FVTCRASFADXXNN-SCRDCRAPSA-N
HMDB01521,977.313573819,C35H62N7O17P3S,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30?,34-/m1/s1",DUAFKXOFBZQTQE,XVDJLSDJSA,N,Tetradecanoyl-CoA,DUAFKXOFBZQTQE-XVDJLSDJSA-N
HMDB01522,73.063997239,C2H7N3,CNC(N)=N,"InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)",CHJJGSNFBQVOTG,UHFFFAOYSA,N,Methylguanidine,CHJJGSNFBQVOTG-UHFFFAOYSA-N
HMDB01525,68.037448138,C3H4N2,N1C=CN=C1,"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",RAXXELZNTBOGNW,UHFFFAOYSA,N,Imidazole,RAXXELZNTBOGNW-UHFFFAOYSA-N
HMDB01526,249.085720237,C10H19NO2S2,CC(=O)SC(CCS)CCCCC(N)=O,"InChI=1S/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)",ARGXEXVCHMNAQU,UHFFFAOYSA,N,S-Acetyldihydrolipoamide,ARGXEXVCHMNAQU-UHFFFAOYSA-N
HMDB01527,120.02450019,C4H8O2S,CSCCC(O)=O,"InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)",CAOMCZAIALVUPA,UHFFFAOYSA,N,3-Methylthiopropionic acid,CAOMCZAIALVUPA-UHFFFAOYSA-N
HMDB01530,262.04536859,C6H15O9P,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1",GACTWZZMVMUKNG,KVTDHHQDSA,N,Mannitol 1-phosphate,GACTWZZMVMUKNG-KVTDHHQDSA-N
HMDB01532,491.000830537,C10H16N5O12P3,NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,"InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1",SUYVUBYJARFZHO,RRKCRQDMSA,N,Deoxyadenosine triphosphate,SUYVUBYJARFZHO-RRKCRQDMSA-N
HMDB01533,457.170981503,C20H23N7O6,[H][C@@]12CN(CN1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)NC(CCC(O)=O)C(O)=O,"InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13?/m1/s1",QYNUQALWYRSVHF,PZORYLMUSA,N,"5,10-Methylene-THF",QYNUQALWYRSVHF-PZORYLMUSA-N
HMDB01534,472.18188054,C20H24N8O6,NC1=NC2=C(N(C=N)C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1,"InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)",YCWUVLPMLLBDCU,UHFFFAOYSA,N,5-Formiminotetrahydrofolic acid,YCWUVLPMLLBDCU-UHFFFAOYSA-N
HMDB01536,45.021463723,CH3NO,NC=O,"InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)",ZHNUHDYFZUAESO,UHFFFAOYSA,N,Formamide,ZHNUHDYFZUAESO-UHFFFAOYSA-N
HMDB01537,169.073893223,C8H11NO3,NCCC1=C(O)C=C(O)C(O)=C1,"InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2",DIVDFFZHCJEHGG,UHFFFAOYSA,N,6-Hydroxydopamine,DIVDFFZHCJEHGG-UHFFFAOYSA-N
HMDB01538,137.047678473,C7H7NO2,OC(=O)CC1=CN=CC=C1,"InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)",WGNUNYPERJMVRM,UHFFFAOYSA,N,3-Pyridylacetic acid,WGNUNYPERJMVRM-UHFFFAOYSA-N
HMDB01539,202.14297584,C8H18N4O2,N[C@@H](CCC\N=C(/N)N(C)C)C(O)=O,"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1",YDGMGEXADBMOMJ,LURJTMIESA,N,Asymmetric dimethylarginine,YDGMGEXADBMOMJ-LURJTMIESA-N
HMDB01541,1011.975840254,C20H30N10O26P6,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,"InChI=1S/C20H30N10O26P6/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(50-18)1-48-57(36,37)52-59(40,41)54-61(44,45)56-62(46,47)55-60(42,43)53-58(38,39)49-2-7-11(32)13(34)19(51-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1",QESDWYZADJGZRW,INFSMZHSSA,N,Guanosine hexaphosphate adenosine,QESDWYZADJGZRW-INFSMZHSSA-N
HMDB01542,383.142760647,C14H25NO11,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O,"InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1",KFEUJDWYNGMDBV,LODBTCKLSA,N,N-Acetyllactosamine,KFEUJDWYNGMDBV-LODBTCKLSA-N
HMDB01543,1107.937085286,C20H31N10O30P7,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C20H31N10O30P7/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(53-17)1-51-61(37,38)55-63(41,42)57-65(45,46)59-67(49,50)60-66(47,48)58-64(43,44)56-62(39,40)52-2-6-10(32)12(34)18(54-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1",SUBCCLLJUFUQFC,MHARETSRSA,N,Diguanosine hexaphosphate,SUBCCLLJUFUQFC-MHARETSRSA-N
HMDB01544,155.997807111,C7H5ClO2,OC(=O)C1=CC(Cl)=CC=C1,"InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",LULAYUGMBFYYEX,UHFFFAOYSA,N,m-Chlorobenzoic acid,LULAYUGMBFYYEX-UHFFFAOYSA-N
HMDB01545,167.058243159,C8H9NO3,CC1=NC=C(CO)C(C=O)=C1O,"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3",RADKZDMFGJYCBB,UHFFFAOYSA,N,Pyridoxal,RADKZDMFGJYCBB-UHFFFAOYSA-N
HMDB01546,403.018181361,C9H15N3O11P2,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",ZWIADYZPOWUWEW,XVFCMESISA,N,CDP,ZWIADYZPOWUWEW-XVFCMESISA-N
HMDB01547,346.214409448,C21H30O4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO,"InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1",OMFXVFTZEKFJBZ,HJTSIMOOSA,N,Corticosterone,OMFXVFTZEKFJBZ-HJTSIMOOSA-N
HMDB01548,230.01915384,C5H11O8P,OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1",KTVPXOYAKDPRHY,SOOFDHNKSA,N,D-Ribose 5-phosphate,KTVPXOYAKDPRHY-SOOFDHNKSA-N
HMDB01550,335.078720603,C11H17N3O7S,N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1",FHXAGOICBFGEBF,BQBZGAKWSA,N,S-Formylglutathione,FHXAGOICBFGEBF-BQBZGAKWSA-N
HMDB01551,240.245315646,C16H32O,CCCCCCCCCCCCCCCC=O,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3",NIOYUNMRJMEDGI,UHFFFAOYSA,N,Palmitaldehyde,NIOYUNMRJMEDGI-UHFFFAOYSA-N
HMDB01552,145.037507717,C5H7NO4,NC(=O)CCC(=O)C(O)=O,"InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10)",COJBGNAUUSNXHX,UHFFFAOYSA,N,2-Keto-glutaramic acid,COJBGNAUUSNXHX-UHFFFAOYSA-N
HMDB01553,148.019414812,C5H8O3S,CSCCC(=O)C(O)=O,"InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)",SXFSQZDSUWACKX,UHFFFAOYSA,N,2-Oxo-4-methylthiobutanoic acid,SXFSQZDSUWACKX-UHFFFAOYSA-N
HMDB01554,364.042014546,C10H13N4O9P,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1NC(=O)NC2=O,"InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1",DCTLYFZHFGENCW,UUOKFMHZSA,N,Xanthylic acid,DCTLYFZHFGENCW-UUOKFMHZSA-N
HMDB01555,248.056208048,C8H13N2O5P,CC1=NC=C(COP(O)(O)=O)C(CN)=C1O,"InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)",ZMJGSOSNSPKHNH,UHFFFAOYSA,N,Pyridoxamine 5'-phosphate,ZMJGSOSNSPKHNH-UHFFFAOYSA-N
HMDB01557,348.106984264,C15H16N4O6,OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=CC=CC=C2N=C2C(=O)NC(=O)N=C12,"InChI=1S/C15H16N4O6/c20-6-10(22)12(23)9(21)5-19-8-4-2-1-3-7(8)16-11-13(19)17-15(25)18-14(11)24/h1-4,9-10,12,20-23H,5-6H2,(H,18,24,25)/t9-,10-,12-/m1/s1",ATANIONNQLTUND,CKYFFXLPSA,N,Riboflavin reduced,ATANIONNQLTUND-CKYFFXLPSA-N
HMDB01562,473.165896125,C20H23N7O7,NC1=NC2=C(N(C=O)C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)",VVIAGPKUTFNRDU,UHFFFAOYSA,N,Folinic acid,VVIAGPKUTFNRDU-UHFFFAOYSA-N
HMDB01563,297.107318615,C11H15N5O5,CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O,"InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1",UTAIYTHAJQNQDW,KQYNXXCUSA,N,1-Methylguanosine,UTAIYTHAJQNQDW-KQYNXXCUSA-N
HMDB01564,446.060380526,C11H20N4O11P2,NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,"InChI=1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1",WVIMUEUQJFPNDK,PEBGCTIMSA,N,CDP-Ethanolamine,WVIMUEUQJFPNDK-PEBGCTIMSA-N
HMDB01565,184.073869485,C5H15NO4P,C[N+](C)(C)CCOP(O)(O)=O,"InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1",YHHSONZFOIEMCP,UHFFFAOYSA,O,Phosphorylcholine,YHHSONZFOIEMCP-UHFFFAOYSA-O
HMDB01566,165.065059871,C6H7N5O,CN1C2=C(NC=N2)C(=O)N=C1N,"InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)",XHBSBNYEHDQRCP,UHFFFAOYSA,N,3-Methylguanine,XHBSBNYEHDQRCP-UHFFFAOYSA-N
HMDB01568,142.099379692,C8H14O2,CCCCC\C=C\C(O)=O,"InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+",CWMPPVPFLSZGCY,VOTSOKGWSA,N,trans-2-Octenoic acid,CWMPPVPFLSZGCY-VOTSOKGWSA-N
HMDB01569,388.370516158,C27H48O,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1",QYIXCDOBOSTCEI,FBVYSKEZSA,N,Epi-coprostanol,QYIXCDOBOSTCEI-FBVYSKEZSA-N
HMDB01570,304.046037292,C10H13N2O7P,CC1=CN([C@H]2CC3OP(O)(=O)OCC3O2)C(=O)NC1=O,"InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)/t6?,7?,8-/m1/s1",QSJFDOVQWZVUQG,KAVNDROISA,N,"Thymidine 3',5'-cyclic monophosphate",QSJFDOVQWZVUQG-KAVNDROISA-N
HMDB01586,260.029718526,C6H13O9P,OC[C@H]1OC(OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1",HXXFSFRBOHSIMQ,GASJEMHNSA,N,Glucose 1-phosphate,HXXFSFRBOHSIMQ-GASJEMHNSA-N
HMDB01587,150.031694058,C8H6O3,OC(=O)C(=O)C1=CC=CC=C1,"InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)",FAQJJMHZNSSFSM,UHFFFAOYSA,N,Phenylglyoxylic acid,FAQJJMHZNSSFSM-UHFFFAOYSA-N
HMDB01624,132.07864425,C6H12O3,CCCCC(O)C(O)=O,"InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)",NYHNVHGFPZAZGA,UHFFFAOYSA,N,2-Hydroxycaproic acid,NYHNVHGFPZAZGA-UHFFFAOYSA-N
HMDB01644,150.05282343,C5H10O5,OC[C@H](O)[C@@H](O)C(=O)CO,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m0/s1",ZAQJHHRNXZUBTE,WVZVXSGGSA,N,D-Xylulose,ZAQJHHRNXZUBTE-WVZVXSGGSA-N
HMDB01645,131.094628665,C6H13NO2,CCCC[C@H](N)C(O)=O,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",LRQKBLKVPFOOQJ,YFKPBYRVSA,N,L-Norleucine,LRQKBLKVPFOOQJ-YFKPBYRVSA-N
HMDB01659,58.041864814,C3H6O,CC(C)=O,InChI=1S/C3H6O/c1-3(2)4/h1-2H3,CSCPPACGZOOCGX,UHFFFAOYSA,N,Acetone,CSCPPACGZOOCGX-UHFFFAOYSA-N
HMDB01713,164.047344122,C9H8O3,OC(=O)\C=C\C1=CC=CC(O)=C1,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",KKSDGJDHHZEWEP,SNAWJCMRSA,N,m-Coumaric acid,KKSDGJDHHZEWEP-SNAWJCMRSA-N
HMDB01721,185.008923505,C3H8NO6P,NC(COP(O)(O)=O)C(O)=O,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)",BZQFBWGGLXLEPQ,UHFFFAOYSA,N,DL-O-Phosphoserine,BZQFBWGGLXLEPQ-UHFFFAOYSA-N
HMDB01786,275.101839307,C12H13N5O3,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CN1C=CN=C21,"InChI=1S/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8+,9+/m0/s1",XQQIMTUYVDUWKJ,DJLDLDEBSA,N,Ethenodeoxyadenosine,XQQIMTUYVDUWKJ-DJLDLDEBSA-N
HMDB01830,314.224580204,C21H30O2,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",RJKFOVLPORLFTN,LEKSSAKUSA,N,Progesterone,RJKFOVLPORLFTN-LEKSSAKUSA-N
HMDB01833,440.15566579,C19H20N8O5,NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)C=N2)C(N)=N1,"InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)",TVZGACDUOSZQKY,UHFFFAOYSA,N,Aminopterin,TVZGACDUOSZQKY-UHFFFAOYSA-N
HMDB01842,59.048347175,CH5N3,NC(N)=N,"InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)",ZRALSGWEFCBTJO,UHFFFAOYSA,N,Guanidine,ZRALSGWEFCBTJO-UHFFFAOYSA-N
HMDB01843,129.042593095,C5H7NO3,OC(=O)CNC(=O)C=C,"InChI=1S/C5H7NO3/c1-2-4(7)6-3-5(8)9/h2H,1,3H2,(H,6,7)(H,8,9)",LZCXCXDOGAEFQX,UHFFFAOYSA,N,N-Acryloylglycine,LZCXCXDOGAEFQX-UHFFFAOYSA-N
HMDB01844,132.042258744,C5H8O4,CC(CC(O)=O)C(O)=O,"InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)",WXUAQHNMJWJLTG,UHFFFAOYSA,N,Methylsuccinic acid,WXUAQHNMJWJLTG-UHFFFAOYSA-N
HMDB01846,445.170981503,C19H23N7O6,NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N2)N1,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12?/m0/s1",MSTNYGQPCMXVAQ,PXYINDEMSA,N,Tetrahydrofolic acid,MSTNYGQPCMXVAQ-PXYINDEMSA-N
HMDB01847,194.080375584,C8H10N4O2,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",RYYVLZVUVIJVGH,UHFFFAOYSA,N,Caffeine,RYYVLZVUVIJVGH-UHFFFAOYSA-N
HMDB01848,280.193948778,C19H24N2,CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3",BCGWQEUPMDMJNV,UHFFFAOYSA,N,Imipramine,BCGWQEUPMDMJNV-UHFFFAOYSA-N
HMDB01849,259.157228921,C16H21NO2,CC(C)NCC(O)COC1=CC=CC2=CC=CC=C12,"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3",AQHHHDLHHXJYJD,UHFFFAOYSA,N,Propranolol,AQHHHDLHHXJYJD-UHFFFAOYSA-N
HMDB01850,454.283157714,C27H38N2O4,COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1,"InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3",SGTNSNPWRIOYBX,UHFFFAOYSA,N,Verapamil,SGTNSNPWRIOYBX-UHFFFAOYSA-N
HMDB01851,152.068473494,C5H12O5,OC[C@H](O)C(O)[C@@H](O)CO,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1",HEBKCHPVOIAQTA,IMJSIDKUSA,N,L-Arabitol,HEBKCHPVOIAQTA-IMJSIDKUSA-N
HMDB01852,300.20893014,C20H28O2,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)",SHGAZHPCJJPHSC,UHFFFAOYSA,N,All-trans-retinoic acid,SHGAZHPCJJPHSC-UHFFFAOYSA-N
HMDB01854,129.906222753,Te,[Te+4],InChI=1S/Te/q+4,LHBANKJAFPUZQV,UHFFFAOYSA,N,Tellurium,LHBANKJAFPUZQV-UHFFFAOYSA-N
HMDB01855,177.078978601,C10H11NO2,OCCC1=CNC2=CC=C(O)C=C12,"InChI=1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2",KQROHCSYOGBQGJ,UHFFFAOYSA,N,5-Hydroxytryptophol,KQROHCSYOGBQGJ-UHFFFAOYSA-N
HMDB01856,154.026608673,C7H6O4,OC(=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",YQUVCSBJEUQKSH,UHFFFAOYSA,N,Protocatechuic acid,YQUVCSBJEUQKSH-UHFFFAOYSA-N
HMDB01857,196.059640142,C7H8N4O3,CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O,"InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)",OTSBKHHWSQYEHK,UHFFFAOYSA,N,"1,3-Dimethyluric acid",OTSBKHHWSQYEHK-UHFFFAOYSA-N
HMDB01858,108.057514878,C7H8O,CC1=CC=C(O)C=C1,"InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",IWDCLRJOBJJRNH,UHFFFAOYSA,N,p-Cresol,IWDCLRJOBJJRNH-UHFFFAOYSA-N
HMDB01859,151.063328537,C8H9NO2,CC(=O)NC1=CC=C(O)C=C1,"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",RZVAJINKPMORJF,UHFFFAOYSA,N,Acetaminophen,RZVAJINKPMORJF-UHFFFAOYSA-N
HMDB01860,180.06472552,C7H8N4O2,CN1C=NC2=C1C(=O)N(C)C(=O)N2,"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)",QUNWUDVFRNGTCO,UHFFFAOYSA,N,Paraxanthine,QUNWUDVFRNGTCO-UHFFFAOYSA-N
HMDB01861,125.095297367,C6H11N3,CN1C=NC=C1CCN,"InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3",CPAGZVLINCPJEH,UHFFFAOYSA,N,3-Methylhistamine,CPAGZVLINCPJEH-UHFFFAOYSA-N
HMDB01862,100.0524295,C5H8O2,CCC(=C)C(O)=O,"InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h2-3H2,1H3,(H,6,7)",WROUWQQRXUBECT,UHFFFAOYSA,N,2-Ethylacrylic acid,WROUWQQRXUBECT-UHFFFAOYSA-N
HMDB01863,118.062994186,C5H10O3,CCCC(O)C(O)=O,"InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",JRHWHSJDIILJAT,UHFFFAOYSA,N,2-Hydroxyvaleric acid,JRHWHSJDIILJAT-UHFFFAOYSA-N
HMDB01864,130.062994186,C6H10O3,CCCCC(=O)C(O)=O,"InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)",XNIHZNNZJHYHLC,UHFFFAOYSA,N,2-Ketohexanoic acid,XNIHZNNZJHYHLC-UHFFFAOYSA-N
HMDB01865,116.047344122,C5H8O3,CCCC(=O)C(O)=O,"InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)",KDVFRMMRZOCFLS,UHFFFAOYSA,N,2-Oxovaleric acid,KDVFRMMRZOCFLS-UHFFFAOYSA-N
HMDB01866,184.037173366,C8H8O5,OC(C(O)=O)C1=CC=C(O)C(O)=C1,"InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)",RGHMISIYKIHAJW,UHFFFAOYSA,N,"3,4-Dihydroxymandelic acid",RGHMISIYKIHAJW-UHFFFAOYSA-N
HMDB01867,194.069142196,C9H10N2O3,NC1=CC=C(C=C1)C(=O)NCC(O)=O,"InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)",HSMNQINEKMPTIC,UHFFFAOYSA,N,4-Aminohippuric acid,HSMNQINEKMPTIC-UHFFFAOYSA-N
HMDB01868,168.042258744,C8H8O4,COC1=CC(C(O)=O)=C(O)C=C1,"InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)",IZZIWIAOVZOBLF,UHFFFAOYSA,N,5-Methoxysalicylic acid,IZZIWIAOVZOBLF-UHFFFAOYSA-N
HMDB01870,122.036779433,C7H6O2,OC(=O)C1=CC=CC=C1,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",WPYMKLBDIGXBTP,UHFFFAOYSA,N,Benzoic acid,WPYMKLBDIGXBTP-UHFFFAOYSA-N
HMDB01871,290.07903818,C15H14O6,O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",PFTAWBLQPZVEMU,UKRRQHHQSA,N,Epicatechin,PFTAWBLQPZVEMU-UKRRQHHQSA-N
HMDB01873,88.0524295,C4H8O2,CC(C)C(O)=O,"InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)",KQNPFQTWMSNSAP,UHFFFAOYSA,N,Isobutyric acid,KQNPFQTWMSNSAP-UHFFFAOYSA-N
HMDB01874,192.02700261,C6H8O7,O[C@H]([C@H](CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1",ODBLHEXUDAPZAU,ZAFYKAAXSA,N,D-threo-Isocitric acid,ODBLHEXUDAPZAU-ZAFYKAAXSA-N
HMDB01875,32.02621475,CH4O,CO,"InChI=1S/CH4O/c1-2/h2H,1H3",OKKJLVBELUTLKV,UHFFFAOYSA,N,Methanol,OKKJLVBELUTLKV-UHFFFAOYSA-N
HMDB01876,263.046357843,C9H13NO6S,CNC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1,"InChI=1S/C9H13NO6S/c1-10-5-8(12)6-2-3-9(7(11)4-6)16-17(13,14)15/h2-4,8,10-12H,5H2,1H3,(H,13,14,15)/t8-/m0/s1",AELFRHHZGTVYGJ,QMMMGPOBSA,N,Epinephrine sulfate,AELFRHHZGTVYGJ-QMMMGPOBSA-N
HMDB01877,144.115029756,C8H16O2,CCCC(CCC)C(O)=O,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",NIJJYAXOARWZEE,UHFFFAOYSA,N,Valproic acid,NIJJYAXOARWZEE-UHFFFAOYSA-N
HMDB01878,150.104465071,C10H14O,CC(C)C1=C(O)C=C(C)C=C1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",MGSRCZKZVOBKFT,UHFFFAOYSA,N,Thymol,MGSRCZKZVOBKFT-UHFFFAOYSA-N
HMDB01879,180.042258744,C9H8O4,CC(=O)OC1=CC=CC=C1C(O)=O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",BSYNRYMUTXBXSQ,UHFFFAOYSA,N,Aspirin,BSYNRYMUTXBXSQ-UHFFFAOYSA-N
HMDB01881,76.0524295,C3H8O2,CC(O)CO,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3",DNIAPMSPPWPWGF,UHFFFAOYSA,N,Propylene glycol,DNIAPMSPPWPWGF-UHFFFAOYSA-N
HMDB01882,90.031694058,C3H6O3,OCC(=O)CO,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2",RXKJFZQQPQGTFL,UHFFFAOYSA,N,Dihydroxyacetone,RXKJFZQQPQGTFL-UHFFFAOYSA-N
HMDB01885,215.034920898,C9H10ClNO3,NC(CC1=CC(Cl)=C(O)C=C1)C(O)=O,"InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)",ACWBBAGYTKWBCD,UHFFFAOYSA,N,3-Chlorotyrosine,ACWBBAGYTKWBCD-UHFFFAOYSA-N
HMDB01886,166.049075456,C6H6N4O2,CN1C2=C(NC=N2)C(=O)NC1=O,"InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)",GMSNIKWWOQHZGF,UHFFFAOYSA,N,3-Methylxanthine,GMSNIKWWOQHZGF-UHFFFAOYSA-N
HMDB01888,73.052763851,C3H7NO,CN(C)C=O,"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3",ZMXDDKWLCZADIW,UHFFFAOYSA,N,"N,N-Dimethylformamide",ZMXDDKWLCZADIW-UHFFFAOYSA-N
HMDB01889,180.06472552,C7H8N4O2,CN1C2=C(NC=N2)C(=O)N(C)C1=O,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",ZFXYFBGIUFBOJW,UHFFFAOYSA,N,Theophylline,ZFXYFBGIUFBOJW-UHFFFAOYSA-N
HMDB01890,163.030313849,C5H9NO3S,CC(=O)N[C@@H](CS)C(O)=O,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1",PWKSKIMOESPYIA,BYPYZUCNSA,N,Acetylcysteine,PWKSKIMOESPYIA-BYPYZUCNSA-N
HMDB01891,137.047678473,C7H7NO2,NC1=CC=CC(=C1)C(O)=O,"InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)",XFDUHJPVQKIXHO,UHFFFAOYSA,N,m-Aminobenzoic acid,XFDUHJPVQKIXHO-UHFFFAOYSA-N
HMDB01892,172.0524295,C11H8O2,CC1=CC(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3",MJVAVZPDRWSRRC,UHFFFAOYSA,N,Menadione,MJVAVZPDRWSRRC-UHFFFAOYSA-N
HMDB01893,430.381080844,C29H50O2,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",GVJHHUAWPYXKBD,IEOSBIPESA,N,Alpha-Tocopherol,GVJHHUAWPYXKBD-IEOSBIPESA-N
HMDB01894,294.121571696,C14H18N2O5,COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O,"InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1",IAOZJIPTCAWIRG,QWRGUYRKSA,N,Aspartame,IAOZJIPTCAWIRG-QWRGUYRKSA-N
HMDB01895,138.031694053,C7H6O3,OC(=O)C1=CC=CC=C1O,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",YGSDEFSMJLZEOE,UHFFFAOYSA,N,Salicylic acid,YGSDEFSMJLZEOE-UHFFFAOYSA-N
HMDB01896,191.094628665,C11H13NO2,COC1=CC=C2NC=C(CCO)C2=C1,"InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3",QLWKTGDEPLRFAT,UHFFFAOYSA,N,5-Methoxytryptophol,QLWKTGDEPLRFAT-UHFFFAOYSA-N
HMDB01897,1346.728146002,C63H98N18O13S,CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O,"InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43+,44-,45+,46+,47+,48+,49-/m0/s1",ADNPLDHMAVUMIW,SGTHPBLKSA,N,Substance P,ADNPLDHMAVUMIW-SGTHPBLKSA-N
HMDB01898,592.32608516,C33H44N4O6,CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(CC)=C3C)N2)N1,"InChI=1S/C33H44N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)",OBHRVMZSZIDDEK,UHFFFAOYSA,N,Mesobilirubinogen,OBHRVMZSZIDDEK-UHFFFAOYSA-N
HMDB01900,148.037173366,C5H8O5,OC[C@H]1OC(=O)[C@H](O)[C@@H]1O,"InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4-/m1/s1",CUOKHACJLGPRHD,BXXZVTAOSA,N,Ribonolactone,CUOKHACJLGPRHD-BXXZVTAOSA-N
HMDB01901,131.094628665,C6H13NO2,NCCCCCC(O)=O,"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)",SLXKOJJOQWFEFD,UHFFFAOYSA,N,Aminocaproic acid,SLXKOJJOQWFEFD-UHFFFAOYSA-N
HMDB01902,699.224867565,C29H33N9O12,NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)=CN=C2N1,"InChI=1S/C29H33N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,12,16-18,31H,5-11H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,30,32,37,38,44)",WOLQREOUPKZMEX,UHFFFAOYSA,N,Pteroyltriglutamic acid,WOLQREOUPKZMEX-UHFFFAOYSA-N
HMDB01903,416.329045274,C27H44O3,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1",GMRQFYUYWCNGIN,NKMMMXOESA,N,Calcitriol,GMRQFYUYWCNGIN-NKMMMXOESA-N
HMDB01904,226.05897144,C9H10N2O5,N[C@@H](CC1=CC=C(O)C(=C1)[N+]([O-])=O)C(O)=O,"InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1",FBTSQILOGYXGMD,LURJTMIESA,N,3-Nitrotyrosine,FBTSQILOGYXGMD-LURJTMIESA-N
HMDB01906,103.063328537,C4H9NO2,CC(C)(N)C(O)=O,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",FUOOLUPWFVMBKG,UHFFFAOYSA,N,2-Aminoisobutyric acid,FUOOLUPWFVMBKG-UHFFFAOYSA-N
HMDB01908,368.219888756,C20H32O6,C[C@@H](O)CCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h2,4,11-12,14-17,19,21-22,24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14-,15+,16-,17-,19-/m1/s1",WTJYDBMHYPQFNJ,ZUVVJKHESA,N,19-Hydroxy-PGE2,WTJYDBMHYPQFNJ-ZUVVJKHESA-N
HMDB01913,345.114712179,C17H19N3O3S,COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",SUBDBMMJDZJVOS,UHFFFAOYSA,N,Omeprazole,SUBDBMMJDZJVOS-UHFFFAOYSA-N
HMDB01915,249.016724799,C4H13NO7P2,NCCCC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)",OGSPWJRAVKPPFI,UHFFFAOYSA,N,Alendronic acid,OGSPWJRAVKPPFI-UHFFFAOYSA-N
HMDB01916,748.508525778,C38H72N2O12,CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@@](C)(O)C[C@H](C)CN(C)[C@@H](C)[C@@H](O)[C@]1(C)O,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,35+,36-,37-,38+/m0/s1",MQTOSJVFKKJCRP,HHZDEWPHSA,N,Azythromycin,MQTOSJVFKKJCRP-HHZDEWPHSA-N
HMDB01917,780.429606756,C41H64O14,[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1,"InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1",LTMHDMANZUZIPE,PUGKRICDSA,N,Digoxin,LTMHDMANZUZIPE-PUGKRICDSA-N
HMDB01919,337.044934829,C8H15N7O2S3,NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1,"InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)",XUFQPHANEAPEMJ,UHFFFAOYSA,N,Famotidine,XUFQPHANEAPEMJ-UHFFFAOYSA-N
HMDB01920,271.193614427,C18H25NO,[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(OC)C=C2,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1",MKXZASYAUGDDCJ,CGTJXYLNSA,N,Dextromethorphan,MKXZASYAUGDDCJ-CGTJXYLNSA-N
HMDB01921,129.101445377,C4H11N5,CN(C)C(=N)NC(N)=N,"InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)",XZWYZXLIPXDOLR,UHFFFAOYSA,N,"1,1-Dimethylbiguanide",XZWYZXLIPXDOLR-UHFFFAOYSA-N
HMDB01922,344.108026261,C22H17ClN2,ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H",VNFPBHJOKIVQEB,UHFFFAOYSA,N,Clotrimazole,VNFPBHJOKIVQEB-UHFFFAOYSA-N
HMDB01923,230.094294314,C14H14O3,COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(O)=O,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",CMWTZPSULFXXJA,VIFPVBQESA,N,Naproxen,CMWTZPSULFXXJA-VIFPVBQESA-N
HMDB01924,266.16304258,C14H22N2O3,CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1,"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)",METKIMKYRPQLGS,UHFFFAOYSA,N,Atenolol,METKIMKYRPQLGS-UHFFFAOYSA-N
HMDB01925,206.13067982,C13H18O2,CC(C)CC1=CC=C(C=C1)C(C)C(O)=O,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)",HEFNNWSXXWATRW,UHFFFAOYSA,N,Ibuprofen,HEFNNWSXXWATRW-UHFFFAOYSA-N
HMDB01926,296.177630012,C20H24O2,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1",BFPYWIDHMRZLRN,SLHNCBLASA,N,17a-Ethynylestradiol,BFPYWIDHMRZLRN-SLHNCBLASA-N
HMDB01927,255.162314299,C17H21NO,CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3",ZZVUWRFHKOJYTH,UHFFFAOYSA,N,Diphenhydramine,ZZVUWRFHKOJYTH-UHFFFAOYSA-N
HMDB01928,296.964474846,C7H8ClN3O4S2,NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1,"InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)",JZUFKLXOESDKRF,UHFFFAOYSA,N,Hydrochlorothiazide,JZUFKLXOESDKRF-UHFFFAOYSA-N
HMDB01929,361.143784348,C18H20FN3O4,C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1",GSDSWSVVBLHKDQ,JTQLQIEISA,N,Levofloxacin,GSDSWSVVBLHKDQ-JTQLQIEISA-N
HMDB01930,314.14126128,C13H22N4O3S,CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O,"InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+",VMXUWOKSQNHOCA,UKTHLTGXSA,N,Ranitidine,VMXUWOKSQNHOCA-UKTHLTGXSA-N
HMDB01931,248.141244506,C15H20O3,CC1=CC=C2CCC(C)(CCC(O)=O)OC2=C1C,"InChI=1S/C15H20O3/c1-10-4-5-12-6-8-15(3,9-7-13(16)17)18-14(12)11(10)2/h4-5H,6-9H2,1-3H3,(H,16,17)",WTGHQIKMADLFAH,UHFFFAOYSA,N,Gamma-CEHC,WTGHQIKMADLFAH-UHFFFAOYSA-N
HMDB01932,267.183443671,C15H25NO3,COCCC1=CC=C(OCC(O)CNC(C)C)C=C1,"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3",IUBSYMUCCVWXPE,UHFFFAOYSA,N,Metoprolol,IUBSYMUCCVWXPE-UHFFFAOYSA-N
HMDB01933,330.007719869,C12H11ClN2O5S,NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O,"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)",ZZUFCTLCJUWOSV,UHFFFAOYSA,N,Furosemide,ZZUFCTLCJUWOSV-UHFFFAOYSA-N
HMDB01934,162.115698458,C10H14N2,CN1CCC[C@H]1C1=CN=CC=C1,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1",SNICXCGAKADSCV,JTQLQIEISA,N,L(-)-Nicotine,SNICXCGAKADSCV-JTQLQIEISA-N
HMDB01935,308.104859,C19H16O4,CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3",PJVWKTKQMONHTI,UHFFFAOYSA,N,Warfarin,PJVWKTKQMONHTI-UHFFFAOYSA-N
HMDB01936,270.173213336,C17H22N2O,CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1,"InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3",HCFDWZZGGLSKEP,UHFFFAOYSA,N,Doxylamine,HCFDWZZGGLSKEP-UHFFFAOYSA-N
HMDB01937,239.152143543,C13H21NO3,CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",NDAUXUAQIAJITI,UHFFFAOYSA,N,Salbutamol,NDAUXUAQIAJITI-UHFFFAOYSA-N
HMDB01938,405.226371117,C21H31N3O5,NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1",RLAWWYSOJDYHDC,BZSNNMDCSA,N,Lisinopril,RLAWWYSOJDYHDC-BZSNNMDCSA-N
HMDB01939,344.23514489,C22H32O3,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C,"InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1",FRQMUZJSZHZSGN,HBNHAYAOSA,N,Medroxyprogesterone,FRQMUZJSZHZSGN-HBNHAYAOSA-N
HMDB01940,253.107593387,C12H11N7,NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1,"InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)",FNYLWPVRPXGIIP,UHFFFAOYSA,N,Triamterene,FNYLWPVRPXGIIP-UHFFFAOYSA-N
HMDB01941,318.073161265,C16H19BrN2,CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",ZDIGNSYAACHWNL,UHFFFAOYSA,N,Brompheniramine,ZDIGNSYAACHWNL-UHFFFAOYSA-N
HMDB01942,151.099714043,C9H13NO,C[C@@H](N)[C@@H](O)C1=CC=CC=C1,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1",DLNKOYKMWOXYQA,VXNVDRBHSA,N,Phenylpropanolamine,DLNKOYKMWOXYQA-VXNVDRBHSA-N
HMDB01943,165.115364107,C10H15NO,CN[C@@H](C)[C@@H](O)C1=CC=CC=C1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1",KWGRBVOPPLSCSI,WCBMZHEXSA,N,Pseudoephedrine,KWGRBVOPPLSCSI-WCBMZHEXSA-N
HMDB01944,274.123676325,C16H19ClN2,CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",SOYKEARSMXGVTM,UHFFFAOYSA,N,Chlorpheniramine,SOYKEARSMXGVTM-UHFFFAOYSA-N
HMDB01952,742.2486227,C38H38N4O12,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4CC(O)=O)/C(CC(O)=O)=C3CCC(O)=O,"InChI=1S/C38H38N4O12/c1-17-19(3-7-33(43)44)27-15-30-22(6-10-36(49)50)23(11-37(51)52)31(42-30)14-26-18(2)20(4-8-34(45)46)28(40-26)16-32-24(12-38(53)54)21(5-9-35(47)48)29(41-32)13-25(17)39-27/h13-16,39-40H,3-12H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/b25-13-,26-14-,27-15-,28-16-,29-13-,30-15-,31-14-,32-16-",NTILFDFSYFWZAA,CYRUMZLOSA,N,Hexacarboxylporphyrin III,NTILFDFSYFWZAA-CYRUMZLOSA-N
HMDB01954,160.109944378,C8H16O3,CCCCCC(O)CC(O)=O,"InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)",NDPLAKGOSZHTPH,UHFFFAOYSA,N,3-Hydroxyoctanoic acid,NDPLAKGOSZHTPH-UHFFFAOYSA-N
HMDB01955,164.083729628,C10H12O2,CC(CC(O)=O)C1=CC=CC=C1,"InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)",ZZEWMYILWXCRHZ,UHFFFAOYSA,N,3-Phenylbutyric acid,ZZEWMYILWXCRHZ-UHFFFAOYSA-N
HMDB01956,800.254102008,C40H40N4O14,CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5CCC(O)=O)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CCC(O)=O,"InChI=1S/C40H40N4O14/c1-18-19(2-7-34(45)46)27-15-32-24(12-39(55)56)23(6-11-38(53)54)31(44-32)17-33-25(13-40(57)58)22(5-10-37(51)52)30(43-33)16-29-21(4-9-36(49)50)20(3-8-35(47)48)28(42-29)14-26(18)41-27/h14-17,41,43H,2-13H2,1H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/b26-14-,27-15-,28-14-,29-16-,30-16-,31-17-,32-15-,33-17-",UXXBQPAQUFNNGY,FLBNTIIFSA,N,Heptacarboxylporphyrin III,UXXBQPAQUFNNGY-FLBNTIIFSA-N
HMDB01957,700.27444352,C37H40N4O10,CC1=C(CCC(O)=O)C2=NC1CC1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C3\N\C(=C/2)C(CCC(O)=O)=C3CC(O)=O)C(CCC(O)=O)=C1C,"InChI=1S/C37H40N4O10/c1-17-20(4-8-33(42)43)28-14-27-19(3)22(6-10-35(46)47)30(40-27)16-32-24(12-37(50)51)23(7-11-36(48)49)31(41-32)15-29-21(5-9-34(44)45)18(2)26(39-29)13-25(17)38-28/h14-16,26,38,41H,4-13H2,1-3H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/b27-14-,31-15-,32-16-",QDDLLFZOMVJQEQ,XJTMSCLRSA,N,Pentacarboxyl porphyrinogen III,QDDLLFZOMVJQEQ-XJTMSCLRSA-N
HMDB01958,282.292265838,C19H38O,CC(C)CCCC(C)CCCC(C)CCCC(C)C=O,"InChI=1S/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-19H,6-14H2,1-5H3",IZJRIIWUSIGEAJ,UHFFFAOYSA,N,Pristanal,IZJRIIWUSIGEAJ-UHFFFAOYSA-N
HMDB01959,231.158291553,C10H21N3O3,NCCCCC(NC(=O)CCCN)C(O)=O,"InChI=1S/C10H21N3O3/c11-6-2-1-4-8(10(15)16)13-9(14)5-3-7-12/h8H,1-7,11-12H2,(H,13,14)(H,15,16)",OCBQYJFUZHJRIU,UHFFFAOYSA,N,Gamma-Aminobutyryl-lysine,OCBQYJFUZHJRIU-UHFFFAOYSA-N
HMDB01960,123.933496699,H4Sn,[SnH4+4],InChI=1S/Sn.4H/q+4;;;;,PXQLTWWGPFDWNT,UHFFFAOYSA,N,Tin,PXQLTWWGPFDWNT-UHFFFAOYSA-N
HMDB01961,311.122968679,C12H17N5O5,CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[O-])C2=C1C(=O)N(C)C(N)=N2,"InChI=1S/C12H17N5O5/c1-15-4-17(11-8(20)7(19)5(3-18)22-11)9-6(15)10(21)16(2)12(13)14-9/h4-5,7-8,11,18-19H,3H2,1-2H3,(H2,13,14)/t5-,7-,8-,11-/m1/s1",AISVAXNALHBFPC,IOSLPCCCSA,N,"1,7-Dimethylguanosine",AISVAXNALHBFPC-IOSLPCCCSA-N
HMDB01964,180.042258744,C9H8O4,OC(=O)\C=C/C1=CC=C(O)C(O)=C1,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-",QAIPRVGONGVQAS,RQOWECAXSA,N,Caffeic acid,QAIPRVGONGVQAS-RQOWECAXSA-N
HMDB01965,354.240624198,C20H34O5,CCCCC\C=C/C[C@@H](O)[C@H](O)C(O)\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h6-8,11-12,15,17-18,20-22,25H,2-5,9-10,13-14,16H2,1H3,(H,23,24)/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1",GOHNIXDAQODZKP,OZPSOFALSA,N,Troxilin B3,GOHNIXDAQODZKP-OZPSOFALSA-N
HMDB01966,47.947947053,Ti,[Ti+4],InChI=1S/Ti/q+4,LCKIEQZJEYYRIY,UHFFFAOYSA,N,Titanium,LCKIEQZJEYYRIY-UHFFFAOYSA-N
HMDB01967,43.989829244,CO2,O=C=O,InChI=1S/CO2/c2-1-3,CURLTUGMZLYLDI,UHFFFAOYSA,N,Carbon dioxide,CURLTUGMZLYLDI-UHFFFAOYSA-N
HMDB01968,436.355260024,C27H48O4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC(O)CC(C)C,"InChI=1S/C27H48O4/c1-15(2)10-19(29)11-16(3)20-6-7-21-25-22(14-24(31)27(20,21)5)26(4)9-8-18(28)12-17(26)13-23(25)30/h15-25,28-31H,6-14H2,1-5H3/t16-,17+,18-,19?,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",VGCSSPQIZFVVCH,UVBCEDGCSA,N,"5b-Cholestane-3a,7a,12a,23-Tetrol",VGCSSPQIZFVVCH-UVBCEDGCSA-N
HMDB01970,182.043990078,C6H6N4O3,CN1C2=C(NC(=O)N2)C(=O)NC1=O,"InChI=1S/C6H6N4O3/c1-10-3-2(7-5(12)8-3)4(11)9-6(10)13/h1H3,(H2,7,8,12)(H,9,11,13)",ODCYDGXXCHTFIR,UHFFFAOYSA,N,3-Methyluric acid,ODCYDGXXCHTFIR-UHFFFAOYSA-N
HMDB01972,153.042593095,C7H7NO3,NC1=CC=CC(C(O)=O)=C1O,"InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)",IQGMRVWUTCYCST,UHFFFAOYSA,N,3-Aminosalicylic acid,IQGMRVWUTCYCST-UHFFFAOYSA-N
HMDB01973,182.043990078,C6H6N4O3,CN1C(=O)NC2=C1NC(=O)NC2=O,"InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)",XJEJWDFDVPDMAS,UHFFFAOYSA,N,9-Methyluric acid,XJEJWDFDVPDMAS-UHFFFAOYSA-N
HMDB01975,132.07864425,C6H12O3,CCC(O)(CC)C(O)=O,"InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)",LXVSANCQXSSLPA,UHFFFAOYSA,N,2-Ethyl-2-Hydroxybutyric acid,LXVSANCQXSSLPA-UHFFFAOYSA-N
HMDB01976,330.255880332,C22H34O2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-,19-18-",AVKOENOBFIYBSA,WMPRHZDHSA,N,Docosapentaenoic acid (22n-6),AVKOENOBFIYBSA-WMPRHZDHSA-N
HMDB01977,354.240624198,C20H34O5,CCCCC\C=C/C[C@H](O)[C@H](O)\C=C\C(O)C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1",WPLPEZUSILBTGP,CIQDQOFUSA,N,Trioxilin A3,WPLPEZUSILBTGP-CIQDQOFUSA-N
HMDB01978,139.038176419,C5H5N3O2,NC(=O)C1=CNC(=O)C=N1,"InChI=1S/C5H5N3O2/c6-5(10)3-1-8-4(9)2-7-3/h1-2H,(H2,6,10)(H,8,9)",XENWQEOTDAQROM,UHFFFAOYSA,N,5-Hydroxypyrazinamide,XENWQEOTDAQROM-UHFFFAOYSA-N
HMDB01979,368.219888756,C20H32O6,CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O,"InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,16-19,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t16-,17-,18-,19+/m1/s1",VKPWUQVGTPVEMU,QVPQFPIISA,N,"6,15-Diketo,13,14-dihydro-PGF1a",VKPWUQVGTPVEMU-QVPQFPIISA-N
HMDB01980,1055.431705989,C46H65N13O12S2,NCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,"InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29?,30-,31-,32-,33-,34-,35-/m0/s1",BJFIDCADFRDPIO,ZCCHBGLBSA,N,Vasopressin,BJFIDCADFRDPIO-ZCCHBGLBSA-N
HMDB01981,308.006219692,C6H14O10P2,C[C@](O)(CCOP(O)(=O)OP(O)(O)=O)CC(O)=O,"InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m0/s1",SIGQQUBJQXSAMW,LURJTMIESA,N,(R)-Mevalonic acid-5-pyrophosphate,SIGQQUBJQXSAMW-LURJTMIESA-N
HMDB01982,196.059640142,C7H8N4O3,CN1C(=O)NC2=C1C(=O)NC(=O)N2C,"InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)",HMLZLHKHNBLLJD,UHFFFAOYSA,N,"3,7-Dimethyluric acid",HMLZLHKHNBLLJD-UHFFFAOYSA-N
HMDB01983,251.101839307,C10H13N5O3,C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",XGYIMTFOTBMPFP,KQYNXXCUSA,N,5'-Deoxyadenosine,XGYIMTFOTBMPFP-KQYNXXCUSA-N
HMDB01984,372.277678406,C23H36N2O2,[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C,"InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1",DBEPLOCGEIEOCV,WSBQPABSSA,N,Finasteride,DBEPLOCGEIEOCV-WSBQPABSSA-N
HMDB01986,999.364225123,C38H65NO29,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)C=O,"InChI=1S/C38H65NO29/c1-9-18(48)22(52)25(55)35(59-9)64-29(12(46)4-40)30(13(47)5-41)65-38-28(58)33(21(51)15(7-43)62-38)68-34-17(39-11(3)45)32(67-37-27(57)24(54)20(50)14(6-42)61-37)31(16(8-44)63-34)66-36-26(56)23(53)19(49)10(2)60-36/h4,9-10,12-38,41-44,46-58H,5-8H2,1-3H3,(H,39,45)/t9-,10-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-/m0/s1",QNSWVQWPVUZACH,ZQTNVGDNSA,N,Lacto-N-difucopentaose II,QNSWVQWPVUZACH-ZQTNVGDNSA-N
HMDB01987,118.062994186,C5H10O3,CCC(C)(O)C(O)=O,"InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)",MBIQENSCDNJOIY,UHFFFAOYSA,N,2-Hydroxy-2-methylbutyric acid,MBIQENSCDNJOIY-UHFFFAOYSA-N
HMDB01988,144.07864425,C7H12O3,OC1CCC(CC1)C(O)=O,"InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)",HCFRWBBJISAZNK,UHFFFAOYSA,N,4-Hydroxycyclohexylcarboxylic acid,HCFRWBBJISAZNK-UHFFFAOYSA-N
HMDB01989,183.950932553,W,[W+4],InChI=1S/W/q+4,YFGRPIXHCIXTLM,UHFFFAOYSA,N,Tungsten,YFGRPIXHCIXTLM-UHFFFAOYSA-N
HMDB01991,166.049075456,C6H6N4O2,CN1C=NC2=C1C(=O)NC(=O)N2,"InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)",PFWLFWPASULGAN,UHFFFAOYSA,N,7-Methylxanthine,PFWLFWPASULGAN-UHFFFAOYSA-N
HMDB01993,400.334130652,C27H44O2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1",IOIZWEJGGCZDOL,RQDYSCIWSA,N,7a-Hydroxy-cholestene-3-one,IOIZWEJGGCZDOL-RQDYSCIWSA-N
HMDB01999,302.224580204,C20H30O2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-",JAZBEHYOTPTENJ,JLNKQSITSA,N,Eicosapentaenoic acid,JAZBEHYOTPTENJ-JLNKQSITSA-N
HMDB02000,226.193280076,C14H26O2,CCCC\C=C/CCCCCCCC(O)=O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-",YWWVWXASSLXJHU,WAYWQWQTSA,N,Myristoleic acid,YWWVWXASSLXJHU-WAYWQWQTSA-N
HMDB02001,132.042258744,C5H8O4,CC(C)(C(O)=O)C(O)=O,"InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)",OREAFAJWWJHCOT,UHFFFAOYSA,N,Dimethylmalonic acid,OREAFAJWWJHCOT-UHFFFAOYSA-N
HMDB02003,368.36543078,C24H48O2,CCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",QZZGJDVWLFXDLK,UHFFFAOYSA,N,Tetracosanoic acid,QZZGJDVWLFXDLK-UHFFFAOYSA-N
HMDB02004,218.141913208,C13H18N2O,COC1=CC2=C(NC=C2CCN(C)C)C=C1,"InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3",ZSTKHSQDNIGFLM,UHFFFAOYSA,N,5-Methoxydimethyltryptamine,ZSTKHSQDNIGFLM-UHFFFAOYSA-N
HMDB02005,165.045963913,C5H11NO3S,CS(=O)CCC(N)C(O)=O,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",QEFRNWWLZKMPFJ,UHFFFAOYSA,N,Methionine sulfoxide,QEFRNWWLZKMPFJ-UHFFFAOYSA-N
HMDB02006,104.05857751,C3H8N2O2,NC[C@H](N)C(O)=O,"InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1",PECYZEOJVXMISF,REOHCLBHSA,N,"2,3-Diaminopropionic acid",PECYZEOJVXMISF-REOHCLBHSA-N
HMDB02007,356.271530396,C24H36O2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O,"InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",YHGJECVSSKXFCJ,KUBAVDMBSA,N,Tetracosahexaenoic acid,YHGJECVSSKXFCJ-KUBAVDMBSA-N
HMDB02009,835.141423115,C25H40N7O17P3S,C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20?,24-/m1/s1",KFWWCMJSYSSPSK,BOGFJHSMSA,N,Crotonoyl-CoA,KFWWCMJSYSSPSK-BOGFJHSMSA-N
HMDB02011,118.062994186,C5H10O3,CC(CO)CC(O)=O,"InChI=1S/C5H10O3/c1-4(3-6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",ZGYGEPZZMAXSKH,UHFFFAOYSA,N,4-Hydroxyisovaleric acid,ZGYGEPZZMAXSKH-UHFFFAOYSA-N
HMDB02012,250.120509064,C14H18O4,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O,"InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3",SOECUQMRSRVZQQ,UHFFFAOYSA,N,Ubiquinone-1,SOECUQMRSRVZQQ-UHFFFAOYSA-N
HMDB02013,231.147058165,C11H21NO4,CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3",QWYFHHGCZUCMBN,UHFFFAOYSA,N,Butyrylcarnitine,QWYFHHGCZUCMBN-UHFFFAOYSA-N
HMDB02014,369.287908741,C21H39NO4,CCCCCCCC\C=C/CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3/b13-12-",NNCBVXBBLABOCB,SEYXRHQNSA,N,cis-5-Tetradecenoylcarnitine,NNCBVXBBLABOCB-SEYXRHQNSA-N
HMDB02015,203.025228471,C7H9NO4S,OC(=O)[C@H]1CCSCC(=N1)C(O)=O,"InChI=1S/C7H9NO4S/c9-6(10)4-1-2-13-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)/t4-/m1/s1",XJUQJVUYGRTQGI,SCSAIBSYSA,N,Cystathionine ketimine,XJUQJVUYGRTQGI-SCSAIBSYSA-N
HMDB02016,195.053157781,C9H9NO4,NC(C(O)=O)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)",VTMJKPGFERYGJF,UHFFFAOYSA,N,4-Carboxyphenylglycine,VTMJKPGFERYGJF-UHFFFAOYSA-N
HMDB02017,121.089149357,C8H11N,CC(N)C1=CC=CC=C1,"InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3",RQEUFEKYXDPUSK,UHFFFAOYSA,N,1-Phenylethylamine,RQEUFEKYXDPUSK-UHFFFAOYSA-N
HMDB02019,296.307915908,C20H40O,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CO,"InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1",BOTWFXYSPFMFNR,PYDDKJGSSA,N,Phytol,BOTWFXYSPFMFNR-PYDDKJGSSA-N
HMDB02020,566.412380972,C40H54O2,C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)=CC(=O)CC1(C)C,"InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,37-38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",OTHWKRBAHPOBSP,DKLMTRRASA,N,"3'-Hydroxy-e,e-caroten-3-one",OTHWKRBAHPOBSP-DKLMTRRASA-N
HMDB02022,286.056601978,C7H15N2O8P,NCC(=O)N[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7-/m1/s1",OBQMLSFOUZUIOB,SHUUEZRQSA,N,Glycineamideribotide,OBQMLSFOUZUIOB-SHUUEZRQSA-N
HMDB02023,174.089208936,C8H14O4,CCC(CCCC(O)=O)C(O)=O,"InChI=1S/C8H14O4/c1-2-6(8(11)12)4-3-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)",FANBESOFXBDQSH,UHFFFAOYSA,N,Ethyladipic acid,FANBESOFXBDQSH-UHFFFAOYSA-N
HMDB02024,126.042927446,C5H6N2O2,OC(=O)CC1=CN=CN1,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)",PRJKNHOMHKJCEJ,UHFFFAOYSA,N,Imidazoleacetic acid,PRJKNHOMHKJCEJ-UHFFFAOYSA-N
HMDB02025,176.068473494,C7H12O5,CC(C(O)=O)C(C)(O)CC(O)=O,"InChI=1S/C7H12O5/c1-4(6(10)11)7(2,12)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)",CCFYMOIEFAALDH,UHFFFAOYSA,N,"2,3-Dimethyl-3-hydroxyglutaric acid",CCFYMOIEFAALDH-UHFFFAOYSA-N
HMDB02026,196.059640142,C7H8N4O3,CN1C(=O)NC2=C1NC(=O)N(C)C2=O,"InChI=1S/C7H8N4O3/c1-10-4-3(8-6(10)13)5(12)11(2)7(14)9-4/h1-2H3,(H,8,13)(H,9,14)",UARKDOLETOEBCU,UHFFFAOYSA,N,"1,9-Dimethyluric acid",UARKDOLETOEBCU-UHFFFAOYSA-N
HMDB02027,384.33921603,C27H44O,[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3)[C@H](C)CCCC(C)C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1",VUKORTMHZDZZFR,BXAZICILSA,N,8-Dehydrocholesterol,VUKORTMHZDZZFR-BXAZICILSA-N
HMDB02028,277.025622401,C9H11NO7S,N[C@@H](CC1=CC(OS(O)(=O)=O)=C(O)C=C1)C(O)=O,"InChI=1S/C9H11NO7S/c10-6(9(12)13)3-5-1-2-7(11)8(4-5)17-18(14,15)16/h1-2,4,6,11H,3,10H2,(H,12,13)(H,14,15,16)/t6-/m0/s1",SWJDFMNJUOJVPA,LURJTMIESA,N,DOPA sulfate,SWJDFMNJUOJVPA-LURJTMIESA-N
HMDB02030,179.079372531,C6H13NO5,NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13NO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6-/m1/s1",IXZISFNWUWKBOM,ARQDHWQXSA,N,Fructosamine,IXZISFNWUWKBOM-ARQDHWQXSA-N
HMDB02031,146.069142196,C5H10N2O3,CC(CNC(N)=O)C(O)=O,"InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)",PHENTZNALBMCQD,UHFFFAOYSA,N,Ureidoisobutyric acid,PHENTZNALBMCQD-UHFFFAOYSA-N
HMDB02032,167.044324429,C5H5N5O2,NC1=NC2=C(NC(=O)N2)C(=O)N1,"InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)",CLGFIVUFZRGQRP,UHFFFAOYSA,N,8-Hydroxyguanine,CLGFIVUFZRGQRP-UHFFFAOYSA-N
HMDB02034,268.072906944,C8H16N2O6S,NC(CCS(=O)(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C8H16N2O6S/c9-5(7(11)12)1-3-17(15,16)4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)",CMACTJDDABKNPX,UHFFFAOYSA,N,Homolanthionine,CMACTJDDABKNPX-UHFFFAOYSA-N
HMDB02035,164.047344122,C9H8O3,OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",NGSWKAQJJWESNS,ZZXKWVIFSA,N,4-Hydroxycinnamic acid,NGSWKAQJJWESNS-ZZXKWVIFSA-N
HMDB02036,82.953596573,ClO3,[O-][Cl](=O)=O,"InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1",XTEGARKTQYYJKE,UHFFFAOYSA,M,Chlorate,XTEGARKTQYYJKE-UHFFFAOYSA-M
HMDB02038,160.121177766,C7H16N2O2,CNCCCC[C@H](N)C(O)=O,"InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1",PQNASZJZHFPQLE,LURJTMIESA,N,N(6)-Methyllysine,PQNASZJZHFPQLE-LURJTMIESA-N
HMDB02039,85.052763851,C4H7NO,O=C1CCCN1,"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",HNJBEVLQSNELDL,UHFFFAOYSA,N,2-Pyrrolidinone,HNJBEVLQSNELDL-UHFFFAOYSA-N
HMDB02040,178.062994186,C10H10O3,COC1=CC=C(\C=C\C(O)=O)C=C1,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+",AFDXODALSZRGIH,QPJJXVBHSA,N,4-Methoxycinnamic acid,AFDXODALSZRGIH-QPJJXVBHSA-N
HMDB02042,207.089543287,C11H13NO3,OC(=O)CNCCC(=O)C1=CC=CC=C1,"InChI=1S/C11H13NO3/c13-10(6-7-12-8-11(14)15)9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,14,15)",XHSURMJJKAFELI,UHFFFAOYSA,N,3-Phenylpropionylglycine,XHSURMJJKAFELI-UHFFFAOYSA-N
HMDB02043,178.099379692,C11H14O2,OC(=O)CCCCC1=CC=CC=C1,"InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)",BYHDDXPKOZIZRV,UHFFFAOYSA,N,5-Phenylvaleric acid,BYHDDXPKOZIZRV-UHFFFAOYSA-N
HMDB02044,299.086583173,C10H13N5O6,NC1=NC2=C(NC(=O)N2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C10H13N5O6/c11-9-13-6-3(7(19)14-9)12-10(20)15(6)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H,12,20)(H3,11,13,14,19)/t2-,4-,5-,8-/m1/s1",FPGSEBKFEJEOSA,UMMCILCDSA,N,8-Hydroxyguanosine,FPGSEBKFEJEOSA-UMMCILCDSA-N
HMDB02048,108.057514878,C7H8O,CC1=CC=CC(O)=C1,"InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3",RLSSMJSEOOYNOY,UHFFFAOYSA,N,m-Cresol,RLSSMJSEOOYNOY-UHFFFAOYSA-N
HMDB02050,148.00078786,C4H4O6,OC(O)=C(O)C(=O)C(O)=O,"InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5,7-8H,(H,9,10)",KAPRQAPANAEVOD,UHFFFAOYSA,N,Dihydroxyfumaric acid,KAPRQAPANAEVOD-UHFFFAOYSA-N
HMDB02052,200.032087988,C8H8O6,OC(=O)CC(=O)CC(=O)\C=C/C(O)=O,"InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1-",GACSIVHAIFQKTC,UPHRSURJSA,N,Maleylacetoacetic acid,GACSIVHAIFQKTC-UPHRSURJSA-N
HMDB02053,248.127325776,C12H16N4O2,[H][C@@]12CCCCN1C(=O)[C@H](CC1=CN=CN1)NC2=O,"InChI=1S/C12H16N4O2/c17-11-10-3-1-2-4-16(10)12(18)9(15-11)5-8-6-13-7-14-8/h6-7,9-10H,1-5H2,(H,13,14)(H,15,17)/t9-,10-/m0/s1",LCXWQHWWTPOAFI,UWVGGRQHSA,N,Histidylproline diketopiperazine,LCXWQHWWTPOAFI-UWVGGRQHSA-N
HMDB02054,849.157073179,C26H42N7O17P3S,C\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b14-5+/t15-,18-,19-,20?,24-/m1/s1",PMWATMXOQQZNBX,APMDNKNFSA,N,Tiglyl-CoA,PMWATMXOQQZNBX-APMDNKNFSA-N
HMDB02055,108.057514878,C7H8O,CC1=CC=CC=C1O,"InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3",QWVGKYWNOKOFNN,UHFFFAOYSA,N,o-Cresol,QWVGKYWNOKOFNN-UHFFFAOYSA-N
HMDB02056,222.089208936,C12H14O4,CC(C)COC(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)",RZJSUWQGFCHNFS,UHFFFAOYSA,N,Monoisobutyl phthalic acid,RZJSUWQGFCHNFS-UHFFFAOYSA-N
HMDB02057,1061.371088697,C40H70N7O18P3S,CC(C)CCCC(C)CCCC(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C40H70N7O18P3S/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-28(48)27(5)39(53)69-19-18-42-30(49)16-17-43-37(52)34(51)40(6,7)21-62-68(59,60)65-67(57,58)61-20-29-33(64-66(54,55)56)32(50)38(63-29)47-23-46-31-35(41)44-22-45-36(31)47/h22-27,29,32-34,38,50-51H,8-21H2,1-7H3,(H,42,49)(H,43,52)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/t25?,26?,27?,29-,32-,33-,34?,38-/m1/s1",NQFYRDGBRBDQQG,ILYQRJAASA,N,Pristanoyl-CoA,NQFYRDGBRBDQQG-ILYQRJAASA-N
HMDB02059,216.172544634,C12H24O3,OCCCCCCCCCCCC(O)=O,"InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)",ZDHCZVWCTKTBRY,UHFFFAOYSA,N,12-Hydroxydodecanoic acid,ZDHCZVWCTKTBRY-UHFFFAOYSA-N
HMDB02060,529.200669455,C20H35NO15,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C20H35NO15/c1-6-11(27)14(30)16(32)19(33-6)36-18-15(31)13(29)10(5-24)34-20(18)35-17(12(28)9(26)4-23)8(3-22)21-7(2)25/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13-,14+,15-,16-,17+,18+,19-,20-/m0/s1",SJHVKKOMMHUSLU,BKFPXMEMSA,N,O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose,SJHVKKOMMHUSLU-BKFPXMEMSA-N
HMDB02061,425.153325333,C16H27NO12,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC2O[C@@H]([C@@H](OC)[C@H](O)[C@H]2O)C(O)=O)[C@H]1NC(C)=O,"InChI=1S/C16H27NO12/c1-5(19)17-7-11(8(20)6(4-18)27-15(7)26-3)28-16-10(22)9(21)12(25-2)13(29-16)14(23)24/h6-13,15-16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24)/t6-,7-,8-,9-,10-,11-,12+,13+,15-,16?/m1/s1",OEANUJAFZLQYOD,DDKBAWAXSA,N,Hyaluronic acid,OEANUJAFZLQYOD-DDKBAWAXSA-N
HMDB02062,249.030707779,C8H11NO6S,NC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1,"InChI=1S/C8H11NO6S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,10-11H,4,9H2,(H,12,13,14)/t7-/m0/s1",CVJMZWLHUCMEKO,ZETCQYMHSA,N,Norepinephrine sulfate,CVJMZWLHUCMEKO-ZETCQYMHSA-N
HMDB02063,410.412380972,C27H54O2,CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C27H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h2-26H2,1H3,(H,28,29)",VXZBFBRLRNDJCS,UHFFFAOYSA,N,Heptacosanoic acid,VXZBFBRLRNDJCS-UHFFFAOYSA-N
HMDB02064,130.11061308,C6H14N2O,CC(=O)NCCCCN,"InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)",KLZGKIDSEJWEDW,UHFFFAOYSA,N,N-Acetylputrescine,KLZGKIDSEJWEDW-UHFFFAOYSA-N
HMDB02065,239.101839307,C9H13N5O3,CC(O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)",HKCYZTKHPLJZDR,UHFFFAOYSA,N,6-Lactoyltetrahydropterin,HKCYZTKHPLJZDR-UHFFFAOYSA-N
HMDB02067,748.274956608,C28H48N2O21,CC(=O)NC(C=O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CO[C@@H]1O[C@H](CO)C(O[C@@H]2O[C@H](CO)C(O)C(O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O,"InChI=1S/C28H48N2O21/c1-8(35)29-10(3-31)24(50-27-22(44)20(42)17(39)12(4-32)47-27)16(38)11(37)7-46-26-15(30-9(2)36)19(41)25(14(6-34)49-26)51-28-23(45)21(43)18(40)13(5-33)48-28/h3,10-28,32-34,37-45H,4-7H2,1-2H3,(H,29,35)(H,30,36)/t10?,11-,12-,13-,14-,15-,16+,17+,18?,19-,20+,21?,22-,23-,24-,25?,26-,27+,28+/m1/s1",HKHAQIZMVCMZAO,KMKHDUTPSA,N,O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose,HKHAQIZMVCMZAO-KMKHDUTPSA-N
HMDB02068,338.318480588,C22H42O2,CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O,"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-",DPUOLQHDNGRHBS,KTKRTIGZSA,N,Erucic acid,DPUOLQHDNGRHBS-KTKRTIGZSA-N
HMDB02070,162.016437924,C5H6O6,OC(CC(=O)C(O)=O)C(O)=O,"InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)",WXSKVKPSMAHCSG,UHFFFAOYSA,N,4-Hydroxy-2-oxoglutaric acid,WXSKVKPSMAHCSG-UHFFFAOYSA-N
HMDB02071,1056.385688846,C40H68N2O30,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O)[C@]([H])(OC3O[C@H](CO)[C@H](O)[C@H](O[C@@]4([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O,"InChI=1S/C40H68N2O30/c1-10-21(53)28(60)29(61)38(63-10)72-35-34(71-36-19(41-11(2)49)27(59)23(55)15(6-45)64-36)26(58)18(9-48)67-40(35)69-32-20(42-12(3)50)37(65-16(7-46)24(32)56)70-33-25(57)17(8-47)66-39(30(33)62)68-31(14(52)5-44)22(54)13(51)4-43/h4,10,13-40,44-48,51-62H,5-9H2,1-3H3,(H,41,49)(H,42,50)/t10-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24+,25-,26-,27+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40?/m0/s1",UCLWMVLXXHCQHW,JMJWVNOBSA,N,O-2-(acetylamino)-2-deoxy-a-D-Gal-(1->3)-O-[6-deoxy-a-L-Gal-(1->2)]-O-b-D-Gal-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-Glc-(1->3)-O-b-D-Gal-(1->4)-D-Glucose,UCLWMVLXXHCQHW-JMJWVNOBSA-N
HMDB02072,166.062994186,C9H10O3,COC1=CC=C(CC(O)=O)C=C1,"InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",NRPFNQUDKRYCNX,UHFFFAOYSA,N,4-Methoxyphenylacetic acid,NRPFNQUDKRYCNX-UHFFFAOYSA-N
HMDB02074,146.057908808,C6H10O4,CC(C)(CC(O)=O)C(O)=O,"InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)",GOHPTLYPQCTZSE,UHFFFAOYSA,N,"2,2-Dimethylsuccinic acid",GOHPTLYPQCTZSE-UHFFFAOYSA-N
HMDB02077,66.958681951,ClO2,[O-][Cl]=O,"InChI=1S/ClHO2/c2-1-3/h(H,2,3)/p-1",QBWCMBCROVPCKQ,UHFFFAOYSA,M,Chlorite,QBWCMBCROVPCKQ-UHFFFAOYSA-M
HMDB02078,41.997988627,CNO,[O-]C#N,InChI=1S/CHNO/c2-1-3/h3H/p-1,XLJMAIOERFSOGZ,UHFFFAOYSA,M,Cyanate,XLJMAIOERFSOGZ-UHFFFAOYSA-M
HMDB02080,281.2480553,C18H33O2,CCCCCCCCCCC\C=C/CCCCC([O-])=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/p-1/b13-12-",CNVZJPUDSLNTQU,SEYXRHQNSA,M,Petroselinic acid,CNVZJPUDSLNTQU-SEYXRHQNSA-M
HMDB02082,380.256274262,C22H36O5,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C(O)=O,"InChI=1S/C22H36O5/c1-11(20(26)27)14-4-5-15-19-16(10-18(25)22(14,15)3)21(2)7-6-13(23)8-12(21)9-17(19)24/h11-19,23-25H,4-10H2,1-3H3,(H,26,27)/t11-,12-,13+,14+,15-,16-,17+,18-,19-,21-,22+/m0/s1",BBSJMECOWBMUCF,XPCRKILGSA,N,Bisnorcholic acid,BBSJMECOWBMUCF-XPCRKILGSA-N
HMDB02084,27.010899037,CHN,C#[N-],InChI=1S/CHN/c1-2/h1H/q-1,ATBDVLSINHAXGY,UHFFFAOYSA,N,Cyanide,ATBDVLSINHAXGY-UHFFFAOYSA-N
HMDB02085,198.052823422,C9H10O5,COC1=CC(=CC(OC)=C1O)C(O)=O,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",JMSVCTWVEWCHDZ,UHFFFAOYSA,N,Syringic acid,JMSVCTWVEWCHDZ-UHFFFAOYSA-N
HMDB02086,1578.65834557,C72H100CoN18O17P,C[C@@]12[C@H](C3N4C1=C(C1=[N]5C(=CC6=[N]7[Co+]45([N]4=CN(C5=C4C=C(C(C)=C5)C)[C@H]4O[C@H](CO)[C@@H](OP([O-])(O[C@@H](CNC(=O)CC2)C)=O)[C@H]4O)([N]2=C([C@H]([C@](C)(CC(=O)N)[C@]32C)CCC(=O)N)C(C)=C7[C@](C)([C@@H]6CCC(=O)N)CC(=O)N)C[C@@H]2[C@@H](O)[C@@H](O)[C@H](N3C4=C(C(N)=NC=N4)N=C3)O2)C([C@@H]1CCC(=O)N)(C)C)C)CC(N)=O,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1",ZIHHMGTYZOSFRC,QRVZQHAISA,L,Adenosylcobalamin,ZIHHMGTYZOSFRC-QRVZQHAISA-L
HMDB02087,173.105193351,C8H15NO3,CC(C)CC(=O)N(C)CC(O)=O,"InChI=1S/C8H15NO3/c1-6(2)4-7(10)9(3)5-8(11)12/h6H,4-5H2,1-3H3,(H,11,12)",GPFSWCRCPHKNBU,UHFFFAOYSA,N,Isovalerylsarcosine,GPFSWCRCPHKNBU-UHFFFAOYSA-N
HMDB02088,325.298079497,C20H39NO2,CCCCCCCC\C=C/CCCCCCCC(=O)NCCO,"InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-",BOWVQLFMWHZBEF,KTKRTIGZSA,N,N-Oleoylethanolamine,BOWVQLFMWHZBEF-KTKRTIGZSA-N
HMDB02089,287.111735291,C11H17N3O6,N[C@@H](CC1=CN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C11H17N3O6/c12-6(11(18)19)1-5-2-14(4-13-5)10-9(17)8(16)7(3-15)20-10/h2,4,6-10,15-17H,1,3,12H2,(H,18,19)/t6-,7+,8+,9+,10+/m0/s1",TTYCFBAOLXCFAB,VAPHQMJDSA,N,N-Ribosylhistidine,TTYCFBAOLXCFAB-VAPHQMJDSA-N
HMDB02091,278.100167552,C11H18O8,CC(C)CC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C11H18O8/c1-4(2)3-5(12)18-11-8(15)6(13)7(14)9(19-11)10(16)17/h4,6-9,11,13-15H,3H2,1-2H3,(H,16,17)/t6-,7-,8+,9-,11+/m0/s1",VOJAALAAOYUSCT,ZCLKDUABSA,N,Isovalerylglucuronide,VOJAALAAOYUSCT-ZCLKDUABSA-N
HMDB02092,130.02660868,C5H6O4,OC(=O)CC(=C)C(O)=O,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)",LVHBHZANLOWSRM,UHFFFAOYSA,N,Itaconic acid,LVHBHZANLOWSRM-UHFFFAOYSA-N
HMDB02094,488.174120354,C18H32O15,C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C18H32O15/c1-4-7(21)9(23)12(26)17(29-4)33-15-8(22)5(2-19)31-18(13(15)27)32-14-6(3-20)30-16(28)11(25)10(14)24/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10+,11+,12-,13+,14+,15-,16?,17-,18-/m0/s1",AUNPEJDACLEKSC,ZAYDSPBTSA,N,3-Fucosyllactose,AUNPEJDACLEKSC-ZAYDSPBTSA-N
HMDB02095,247.105587281,C10H17NO6,C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)CC(O)=O,"InChI=1S/C10H17NO6/c1-11(2,3)6-7(4-8(12)13)17-10(16)5-9(14)15/h7H,4-6H2,1-3H3,(H-,12,13,14,15)/t7-/m0/s1",ZGNBLKBZJBJFDG,ZETCQYMHSA,N,Malonylcarnitine,ZGNBLKBZJBJFDG-ZETCQYMHSA-N
HMDB02096,203.094628665,C12H13NO2,OC(=O)CCCC1=CNC2=C1C=CC=C2,"InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)",JTEDVYBZBROSJT,UHFFFAOYSA,N,3-Indolebutyric acid,JTEDVYBZBROSJT-UHFFFAOYSA-N
HMDB02097,150.068079564,C9H10O2,CCC1=CC=C(C=C1)C(O)=O,"InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)",ZQVKTHRQIXSMGY,UHFFFAOYSA,N,4-Ethylbenzoic acid,ZQVKTHRQIXSMGY-UHFFFAOYSA-N
HMDB02098,488.174120354,C18H32O15,C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C18H32O15/c1-5-9(24)12(27)14(29)17(30-5)33-16-13(28)11(26)8(4-21)31-18(16)32-15(7(23)3-20)10(25)6(22)2-19/h2,5-18,20-29H,3-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17-,18-/m0/s1",HWHQUWQCBPAQQH,BWRPKUOHSA,N,2-Fucosyllactose,HWHQUWQCBPAQQH-BWRPKUOHSA-N
HMDB02099,149.070145249,C6H7N5,CNC1=NC=NC2=C1NC=N2,"InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)",CKOMXBHMKXXTNW,UHFFFAOYSA,N,6-Methyladenine,CKOMXBHMKXXTNW-UHFFFAOYSA-N
HMDB02100,299.282429433,C18H37NO2,CCCCCCCCCCCCCCCC(=O)NCCO,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)",HXYVTAGFYLMHSO,UHFFFAOYSA,N,Palmitoylethanolamide,HXYVTAGFYLMHSO-UHFFFAOYSA-N
HMDB02103,402.349780716,C27H46O2,[H][C@@]12CC[C@H]([C@H](C)CCC[C@@H](C)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",FYHRJWMENCALJY,YSQMORBQSA,N,27-Hydroxycholesterol,FYHRJWMENCALJY-YSQMORBQSA-N
HMDB02104,131.058243159,C5H9NO3,N[C@@H](CCC=O)C(O)=O,"InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1",KABXUUFDPUOJMW,BYPYZUCNSA,N,L-Glutamic gamma-semialdehyde,KABXUUFDPUOJMW-BYPYZUCNSA-N
HMDB02105,96.969070064,H2O4P,OP(O)([O-])=O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1",NBIIXXVUZAFLBC,UHFFFAOYSA,M,Dihydrogen phosphate,NBIIXXVUZAFLBC-UHFFFAOYSA-M
HMDB02107,166.02660868,C8H6O4,OC(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)",XNGIFLGASWRNHJ,UHFFFAOYSA,N,Phthalic acid,XNGIFLGASWRNHJ-UHFFFAOYSA-N
HMDB02108,135.035399227,C4H9NO2S,CSC[C@H](N)C(O)=O,"InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",IDIDJDIHTAOVLG,VKHMYHEASA,N,Methylcysteine,IDIDJDIHTAOVLG-VKHMYHEASA-N
HMDB02109,253.081103865,C9H11N5O4,NC1=NC(=O)C2=C(NCC(=N2)C(=O)[C@@H](O)CO)N1,"InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,15-16H,1-2H2,(H4,10,11,13,14,18)/t4-/m0/s1",QHNIUIKIRXYAAW,BYPYZUCNSA,N,Hydroxysepiapterin,QHNIUIKIRXYAAW-BYPYZUCNSA-N
HMDB02111,18.010564686,H2O,O,InChI=1S/H2O/h1H2,XLYOFNOQVPJJNP,UHFFFAOYSA,N,Water,XLYOFNOQVPJJNP-UHFFFAOYSA-N
HMDB02113,131.058243159,C5H9NO3,O[C@H]1CCN[C@H]1C(O)=O,"InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1",BJBUEDPLEOHJGE,IUYQGCFVSA,N,3-Hydroxy-L-proline,BJBUEDPLEOHJGE-IUYQGCFVSA-N
HMDB02114,308.104859,C19H16O4,OC1=CC=C(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(O)C=C2)C=C1,"InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+",PREBVFJICNPEKM,YDWXAUTNSA,N,Bisdemethoxycurcumin,PREBVFJICNPEKM-YDWXAUTNSA-N
HMDB02115,354.240624198,C20H34O5,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](O)[C@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19+/m0/s1",PXGPLTODNUVGFL,HMALSPAFSA,N,8-isoprostaglandin PGF2b,PXGPLTODNUVGFL-HMALSPAFSA-N
HMDB02117,281.271864747,C18H35NO,CCCCCCCC\C=C/CCCCCCCC(N)=O,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-",FATBGEAMYMYZAF,KTKRTIGZSA,N,Oleamide,FATBGEAMYMYZAF-KTKRTIGZSA-N
HMDB02120,194.057908808,C10H10O4,CCOC(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)",YWWHKOHZGJFMIE,UHFFFAOYSA,N,Monoethyl phthalate,YWWHKOHZGJFMIE-UHFFFAOYSA-N
HMDB02121,330.183109317,C20H26O4,CC(C)C1=CC2=C(C(O)=C1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O,"InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1",XUSYGBPHQBWGAD,PJSUUKDQSA,N,Carnosol,XUSYGBPHQBWGAD-PJSUUKDQSA-N
HMDB02122,352.224974134,C20H32O5,CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-19,21-23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",SAKGBZWJAIABSY,SAMSIYEGSA,N,Prostaglandin F3a,SAKGBZWJAIABSY-SAMSIYEGSA-N
HMDB02123,210.075290206,C8H10N4O3,CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2C,"InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)",BYXCFUMGEBZDDI,UHFFFAOYSA,N,"1,3,7-Trimethyluric acid",BYXCFUMGEBZDDI-UHFFFAOYSA-N
HMDB02124,270.05282343,C15H10O5,OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",KZNIFHPLKGYRTM,UHFFFAOYSA,N,Apigenin,KZNIFHPLKGYRTM-UHFFFAOYSA-N
HMDB02126,438.334524582,C26H46O5,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(C)O,"InChI=1S/C26H46O5/c1-14(5-8-21(29)15(2)27)18-6-7-19-24-20(13-23(31)26(18,19)4)25(3)10-9-17(28)11-16(25)12-22(24)30/h14-24,27-31H,5-13H2,1-4H3/t14-,15?,16+,17-,18-,19+,20+,21?,22-,23+,24+,25+,26-/m1/s1",UBCPEZWGUOSYHO,JAPSQKQGSA,N,"27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol",UBCPEZWGUOSYHO-JAPSQKQGSA-N
HMDB02127,122.003764748,C3H6O3S,OC(CS)C(O)=O,"InChI=1S/C3H6O3S/c4-2(1-7)3(5)6/h2,4,7H,1H2,(H,5,6)",OLQOVQTWRIJPRE,UHFFFAOYSA,N,3-Mercaptolactic acid,OLQOVQTWRIJPRE-UHFFFAOYSA-N
HMDB02128,126.054160834,C4H6N4O,NC1=CC(=O)N=C(N)N1,"InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)",SWELIMKTDYHAOY,UHFFFAOYSA,N,"2,4-Diamino-6-hydroxypyrimidine",SWELIMKTDYHAOY-UHFFFAOYSA-N
HMDB02130,180.042258744,C9H8O4,COC(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)",FNJSWIPFHMKRAT,UHFFFAOYSA,N,Monomethyl phthalate,FNJSWIPFHMKRAT-UHFFFAOYSA-N
HMDB02132,352.224974134,C20H32O5,CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-19,21-23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1",SAKGBZWJAIABSY,PJCXKLBTSA,N,8-iso-PGF3a,SAKGBZWJAIABSY-PJCXKLBTSA-N
HMDB02134,73.052763851,C3H7NO,CC(=O)CN,"InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3",BCDGQXUMWHRQCB,UHFFFAOYSA,N,Aminoacetone,BCDGQXUMWHRQCB-UHFFFAOYSA-N
HMDB02135,221.035793157,C7H11NO5S,NC(CSCCC(=O)C(O)=O)C(O)=O,"InChI=1S/C7H11NO5S/c8-4(6(10)11)3-14-2-1-5(9)7(12)13/h4H,1-3,8H2,(H,10,11)(H,12,13)",MXVUEJUCBIAFCN,UHFFFAOYSA,N,S-(3-oxo-3-carboxy-n-propyl)cysteine,MXVUEJUCBIAFCN-UHFFFAOYSA-N
HMDB02137,919.235323499,C31H52N7O17P3S,CCCCCC\C=C\CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h9-10,18-20,24-26,30,41-42H,4-8,11-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b10-9+/t20-,24-,25-,26+,30-/m1/s1",CQGVNMQHZQJNII,ZJZQAHHTSA,N,trans-3-Decenoyl-CoA,CQGVNMQHZQJNII-ZJZQAHHTSA-N
HMDB02139,862.683911368,C59H90O4,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,"InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30-,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+",ACTIUHUUMQJHFO,NBZSDRGLSA,N,Ubisemiquinone,ACTIUHUUMQJHFO-NBZSDRGLSA-N
HMDB02140,473.165896125,C20H23N7O7,NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O)N1,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m1/s1",VVIAGPKUTFNRDU,ZGTCLIOFSA,N,Pteroyl-D-glutamic acid,VVIAGPKUTFNRDU-ZGTCLIOFSA-N
HMDB02141,117.078978601,C5H11NO2,CNC(C)(C)C(O)=O,"InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)",DLAMVQGYEVKIRE,UHFFFAOYSA,N,N-Methyl-a-aminoisobutyric acid,DLAMVQGYEVKIRE-UHFFFAOYSA-N
HMDB02142,97.976895096,H3O4P,OP(O)(O)=O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",NBIIXXVUZAFLBC,UHFFFAOYSA,N,Phosphoric acid,NBIIXXVUZAFLBC-UHFFFAOYSA-N
HMDB02144,140.05857751,C6H8N2O2,CN1C=CC(=O)N(C)C1=O,"InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3",JSDBKAHWADVXFU,UHFFFAOYSA,N,"1,3-Dimethyluracil",JSDBKAHWADVXFU-UHFFFAOYSA-N
HMDB02145,919.235323499,C31H52N7O17P3S,CCCCC\C=C\CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-9,18-20,24-26,30,41-42H,4-7,10-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8+/t20-,24-,25-,26+,30-/m1/s1",QTOYQSMKQWCWOX,CCVVLBLYSA,N,4-cis-Decenoyl-CoA,QTOYQSMKQWCWOX-CCVVLBLYSA-N
HMDB02148,975.357003947,C40H53N11O18,CN1C(CNC2=CC=C(C=C2)C(=O)N(C(=O)CC[C@H](N)C(O)=O)[C@](C(CC(O)=O)C(=O)CC[C@H](N)C(O)=O)(C(=O)CC[C@H](N)C(O)=O)C(=O)OC(=O)CC[C@H](N)C(O)=O)CNC2=C1C(=O)N=C(N)N2,"InChI=1S/C40H53N11O18/c1-50-19(16-47-31-30(50)32(58)49-39(45)48-31)15-46-18-4-2-17(3-5-18)33(59)51(27(54)12-8-23(43)36(64)65)40(26(53)11-7-22(42)35(62)63,38(68)69-29(57)13-9-24(44)37(66)67)20(14-28(55)56)25(52)10-6-21(41)34(60)61/h2-5,19-24,46H,6-16,41-44H2,1H3,(H,55,56)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H4,45,47,48,49,58)/t19?,20?,21-,22-,23-,24-,40+/m0/s1",WNRFVFOPCUPRFK,JPUKBXPDSA,N,5-Methyltetrahydropteroylpentaglutamate,WNRFVFOPCUPRFK-JPUKBXPDSA-N
HMDB02149,162.031694058,C9H6O3,OC1=CC2=CC=CC=C2OC1=O,"InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H",MJKVTPMWOKAVMS,UHFFFAOYSA,N,3 Hydroxycoumarin,MJKVTPMWOKAVMS-UHFFFAOYSA-N
HMDB02150,997.384960565,C39H67NO28,C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O[C@@H]2C[C@H](CO)[C@H](OC3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C39H67NO28/c1-10-20(49)25(54)28(57)37(60-10)65-31-13(5-41)4-16(62-32(14(47)6-42)33(15(48)7-43)66-38-29(58)26(55)21(50)11(2)61-38)23(52)35(31)68-36-19(40-12(3)46)34(24(53)18(9-45)63-36)67-39-30(59)27(56)22(51)17(8-44)64-39/h7,10-11,13-39,41-42,44-45,47-59H,4-6,8-9H2,1-3H3,(H,40,46)/t10-,11-,13+,14+,15-,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31-,32+,33+,34+,35+,36-,37?,38-,39-/m0/s1",RNJJNIREQYKQIV,QDGYNRPDSA,N,O-b-D-glucopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->4)]-O-b-D-galactopyranosyl-(1->4)-O-[6-deoxy-a-L-galactopyranosyl-(1->3)]-D-Glucose,RNJJNIREQYKQIV-QDGYNRPDSA-N
HMDB02151,78.013935504,C2H6OS,CS(C)=O,InChI=1S/C2H6OS/c1-4(2)3/h1-2H3,IAZDPXIOMUYVGZ,UHFFFAOYSA,N,Dimethyl sulfoxide,IAZDPXIOMUYVGZ-UHFFFAOYSA-N
HMDB02152,284.214015518,C20H28O,C/C(/C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+",NCYCYZXNIZJOKI,IOUUIBBYSA,N,11-cis-Retinaldehyde,NCYCYZXNIZJOKI-IOUUIBBYSA-N
HMDB02156,320.271530396,C21H36O2,[H][C@@]12CC[C@H]([C@H](C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@H](O)CC[C@]12C,"InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14?,15+,16-,17+,18-,19-,20-,21+/m0/s1",YWYQTGBBEZQBGO,TUSLFBNQSA,N,"3a,20b-Pregnanediol",YWYQTGBBEZQBGO-TUSLFBNQSA-N
HMDB02157,454.329439204,C26H46O6,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(O)CO,"InChI=1S/C26H46O6/c1-14(4-7-20(29)22(31)13-27)17-5-6-18-24-19(12-23(32)26(17,18)3)25(2)9-8-16(28)10-15(25)11-21(24)30/h14-24,27-32H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20?,21-,22?,23+,24+,25+,26-/m1/s1",PYLPANOYZCSFOX,UCIVWCSPSA,N,27-Norcholestanehexol,PYLPANOYZCSFOX-UCIVWCSPSA-N
HMDB02158,660.315914404,C36H44N4O8,CC1=C2CC3=C(CCC(O)=O)C(C)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3,"InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)",WIUGGJKHYQIGNH,UHFFFAOYSA,N,Coproporphyrinogen I,WIUGGJKHYQIGNH-UHFFFAOYSA-N
HMDB02159,1183.444253639,C48H80N7O19P3S,[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26?,27?,28-,29+,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1",SBYLHTNKEWSLBA,CPRJDYHCSA,N,"3a,7a-Dihydroxy-5b-cholestanoyl-CoA",SBYLHTNKEWSLBA-CPRJDYHCSA-N
HMDB02160,614.310435096,C35H42N4O6,CC1=C2CC3N=C(CC4N=C(CC5=NC(CC(N2)=C1CCC(O)=O)C(CCC(O)=O)=C5C)C(C)=C4C=C)C(C)=C3CCC(O)=O,"InChI=1S/C35H42N4O6/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25/h6,29-31,39H,1,7-16H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)",QTGZHJUSEYHULR,UHFFFAOYSA,N,Harderoporphyrinogen,QTGZHJUSEYHULR-UHFFFAOYSA-N
HMDB02163,464.350174646,C28H48O5,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2(C[C@H](O)CC[C@]12C)C(O)=O,"InChI=1S/C28H48O5/c1-16(2)7-6-8-17(3)19-9-10-20-24-21(13-23(31)27(19,20)5)26(4)12-11-18(29)14-28(26,25(32)33)15-22(24)30/h16-24,29-31H,6-15H2,1-5H3,(H,32,33)/t17-,18-,19-,20+,21+,22-,23+,24+,26-,27-,28+/m1/s1",JIFNDZCDNLFAKC,YAODFNMUSA,N,Trihydroxycoprostanoic acid,JIFNDZCDNLFAKC-YAODFNMUSA-N
HMDB02166,103.063328537,C4H9NO2,C[C@@H](CN)C(O)=O,"InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",QCHPKSFMDHPSNR,VKHMYHEASA,N,(S)-b-aminoisobutyric acid,QCHPKSFMDHPSNR-VKHMYHEASA-N
HMDB02167,100.0524295,C5H8O2,CC1COC(=O)C1,"InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3",ALZLTHLQMAFAPA,UHFFFAOYSA,N,3-Methylbutyrolactone,ALZLTHLQMAFAPA-UHFFFAOYSA-N
HMDB02168,31.989829244,O2,[O][O-],InChI=1S/HO2/c1-2/h1H/p-1,OUUQCZGPVNCOIJ,UHFFFAOYSA,M,Superoxide,OUUQCZGPVNCOIJ-UHFFFAOYSA-M
HMDB02169,163.066699355,C6H13NO2S,CC(CSCCN)C(O)=O,"InChI=1S/C6H13NO2S/c1-5(6(8)9)4-10-3-2-7/h5H,2-4,7H2,1H3,(H,8,9)",UFRVABODKAYFCB,UHFFFAOYSA,N,S-(2-carboxypropyl)-Cysteamine,UFRVABODKAYFCB-UHFFFAOYSA-N
HMDB02170,837.120687673,C24H38N7O18P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC=O,"InChI=1S/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11-13,17-19,23,35-36H,3-6,8-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1",NMEYBPUHJHMRHU,UXYNFSPESA,N,Malonyl-CoA semialdehyde,NMEYBPUHJHMRHU-UXYNFSPESA-N
HMDB02171,285.132470733,C12H19N3O5,NCC(=O)N1CCC[C@H]1C(=O)N1CCC(O)[C@H]1C(O)=O,"InChI=1S/C12H19N3O5/c13-6-9(17)14-4-1-2-7(14)11(18)15-5-3-8(16)10(15)12(19)20/h7-8,10,16H,1-6,13H2,(H,19,20)/t7-,8?,10-/m0/s1",HVIBGVJOBJJPFB,OFQRNFBNSA,N,Glycylprolylhydroxyproline,HVIBGVJOBJJPFB-OFQRNFBNSA-N
HMDB02172,286.236876224,C14H30N4O2,CC(=O)NCCCNCCCCNCCCNC(C)=O,"InChI=1S/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20)",NPDTUDWGJMBVEP,UHFFFAOYSA,N,"N1,N12-Diacetylspermine",NPDTUDWGJMBVEP-UHFFFAOYSA-N
HMDB02173,146.057908808,C6H10O4,OC1CCC(=O)OCC1O,"InChI=1S/C6H10O4/c7-4-1-2-6(9)10-3-5(4)8/h4-5,7-8H,1-3H2",QFCPIZSGDXQFDK,UHFFFAOYSA,N,Solerol,QFCPIZSGDXQFDK-UHFFFAOYSA-N
HMDB02174,1328.564331295,C62H88CoN13O14P,[Co+3].CC(CNC(=O)CCC1(C)C(CC(N)=O)C2[N-]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=NC2(C)C(C)(CC(N)=O)C4CCC(N)=O)\C(C)(CC(N)=O)C3CCC(N)=O)/C(C)(C)C1CCC(N)=O)OP([O-])(=O)OC1C(CO)OC(C1O)N1C=NC2=C1C=C(C)C(C)=C2,"InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+3/p-2",NSLAUEAQDBERRV,UHFFFAOYSA,L,Cobalamin,NSLAUEAQDBERRV-UHFFFAOYSA-L
HMDB02175,27.976926533,Si,[Si+4],InChI=1S/Si/q+4,RWMKKWXZFRMVPB,UHFFFAOYSA,N,Silicon,RWMKKWXZFRMVPB-UHFFFAOYSA-N
HMDB02176,102.068079564,C5H10O2,CCC(C)C(O)=O,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",WLAMNBDJUVNPJU,UHFFFAOYSA,N,Ethylmethylacetic acid,WLAMNBDJUVNPJU-UHFFFAOYSA-N
HMDB02177,304.240230268,C20H32O2,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(O)=O,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-",HQPCSDADVLFHHO,LTKCOYKYSA,N,"Cis-8,11,14,17-Eicosatetraenoic acid",HQPCSDADVLFHHO-LTKCOYKYSA-N
HMDB02178,1199.439168261,C48H80N7O20P3S,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26?,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",MNYDLIUNNOCPHG,TUTZYBGQSA,N,"3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA",MNYDLIUNNOCPHG-TUTZYBGQSA-N
HMDB02179,61.987817871,NO3,[O-]ON=O,InChI=1S/HNO3/c2-1-4-3/h3H/p-1,CMFNMSMUKZHDEY,UHFFFAOYSA,M,Peroxynitrite,CMFNMSMUKZHDEY-UHFFFAOYSA-M
HMDB02180,452.350174646,C27H48O5,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(O)CO,"InChI=1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1",XZDHXPDYLPEFQI,FIMPYCPFSA,N,"5b-Cholestane-3a,7a,12a,25,26-pentol",XZDHXPDYLPEFQI-FIMPYCPFSA-N
HMDB02181,544.500802048,C40H64,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",YVLPJIGOMTXXLP,KEKOKYSKSA,N,Phytoene,YVLPJIGOMTXXLP-KEKOKYSKSA-N
HMDB02182,167.094628665,C9H13NO2,CNC[C@H](O)C1=CC(O)=CC=C1,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1",SONNWYBIRXJNDC,VIFPVBQESA,N,Phenylephrine,SONNWYBIRXJNDC-VIFPVBQESA-N
HMDB02183,328.240230268,C22H32O2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",MBMBGCFOFBJSGT,KUBAVDMBSA,N,Docosahexaenoic acid,MBMBGCFOFBJSGT-KUBAVDMBSA-N
HMDB02184,181.073893223,C9H11NO3,N[C@@H](C(O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8?/m0/s1",VHVGNTVUSQUXPS,JAMMHHFISA,N,L-Threo-3-Phenylserine,VHVGNTVUSQUXPS-JAMMHHFISA-N
HMDB02185,887.209108749,C30H48N7O16P3S,CCC\C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1OC([C@H](O)[C@@H]1CP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C30H48N7O16P3S/c1-4-5-6-7-8-9-22(39)57-13-12-32-21(38)10-11-33-28(42)25(41)30(2,3)16-51-56(48,49)53-55(46,47)50-14-20-19(15-54(43,44)45)24(40)29(52-20)37-18-36-23-26(31)34-17-35-27(23)37/h6-9,17-20,24-25,29,40-41H,4-5,10-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b7-6-,9-8+/t19-,20-,24-,25?,29?/m1/s1",YHRBHCTXYJGORE,OHKXNCGGSA,N,"3-trans,5-cis-Octadienoyl-CoA",YHRBHCTXYJGORE-OHKXNCGGSA-N
HMDB02186,254.224580204,C16H30O2,CCCCCCCC\C=C/CCCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)/b10-9-",PJHOFUXBXJNUAC,KTKRTIGZSA,N,Hypogeic acid,PJHOFUXBXJNUAC-KTKRTIGZSA-N
HMDB02189,187.168462309,C9H21N3O,CC(=O)NCCCCNCCCN,"InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)",FONIWJIDLJEJTL,UHFFFAOYSA,N,N8-Acetylspermidine,FONIWJIDLJEJTL-UHFFFAOYSA-N
HMDB02190,320.23514489,C20H32O3,CCCCC\C=C/C\C=C/C\C=C/CC1OC1CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-",VBQNSZQZRAGRIX,QNEBEIHSSA,N,"5,6-Epoxy-8,11,14-eicosatrienoic acid",VBQNSZQZRAGRIX-QNEBEIHSSA-N
HMDB02193,564.396730908,C40H52O2,C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(=O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)=CC(=O)CC1(C)C,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,37-38H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",IMFOMPZKWQBDLQ,DKLMTRRASA,N,"E,e-Carotene-3,3'-dione",IMFOMPZKWQBDLQ-DKLMTRRASA-N
HMDB02194,263.046357843,C9H13NO6S,CC(=O)N[C@@H](CSCCC(=O)C(O)=O)C(O)=O,"InChI=1S/C9H13NO6S/c1-5(11)10-6(8(13)14)4-17-3-2-7(12)9(15)16/h6H,2-4H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t6-/m0/s1",AHFWWWFNCBRMIV,LURJTMIESA,N,N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine,AHFWWWFNCBRMIV-LURJTMIESA-N
HMDB02195,436.318874518,C26H44O5,[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](O)[C@@H](O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C26H44O5/c1-15(4-9-22(28)23(29)24(30)31)19-7-8-20-18-6-5-16-14-17(27)10-12-25(16,2)21(18)11-13-26(19,20)3/h15-23,27-29H,4-14H2,1-3H3,(H,30,31)/t15-,16-,17-,18+,19-,20+,21+,22-,23-,25+,26-/m1/s1",NRDKNLGDNLHWHG,IYELHLJQSA,N,Varanic acid,NRDKNLGDNLHWHG-IYELHLJQSA-N
HMDB02196,208.980383241,Bi,[Bi+3],InChI=1S/Bi/q+3,JDIBGQFKXXXXPN,UHFFFAOYSA,N,Bismuth,JDIBGQFKXXXXPN-UHFFFAOYSA-N
HMDB02197,416.329045274,C27H44O3,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2CC(=O)C=C[C@]12C,"InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h11-12,16-18,20-25,29-30H,6-10,13-15H2,1-5H3/t17-,18?,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",VJGNBLOGSXHTLR,JFXJTJEYSA,N,"7a,12a-Dihydroxy-cholestene-3-one",VJGNBLOGSXHTLR-JFXJTJEYSA-N
HMDB02198,568.428031036,C40H56O2,O[C@@H]1CC(C)=C(\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(C)=CC(O)CC2(C)C)C(C)(C)C1,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20-/t35?,36-,37-/m1/s1",KBPHJBAIARWVSC,AFHWOPEVSA,N,"(3R,3'R,6'R,9-cis)-Carotene-3,3'-diol",KBPHJBAIARWVSC-AFHWOPEVSA-N
HMDB02199,166.062994186,C9H10O3,OC(=O)CCC1=CC=C(O)C=C1,"InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)",NMHMNPHRMNGLLB,UHFFFAOYSA,N,Desaminotyrosine,NMHMNPHRMNGLLB-UHFFFAOYSA-N
HMDB02200,439.239243989,C23H37NO5S,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SCC(N)C(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19?,20-,21+/m0/s1",OTZRAYGBFWZKMX,MPWKMEBCSA,N,Leukotriene E4,OTZRAYGBFWZKMX-MPWKMEBCSA-N
HMDB02201,175.084457909,C7H13NO4,OC(=O)CCCNCCC(O)=O,"InChI=1S/C7H13NO4/c9-6(10)2-1-4-8-5-3-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)",SRGQUICKDUQCKO,UHFFFAOYSA,N,N-Carboxyethyl-g-aminobutyric acid,SRGQUICKDUQCKO-UHFFFAOYSA-N
HMDB02202,1634.640312244,C72H104CoN16O20PS,[N]=12C3=C(C)C4=[N]5C(C(CC(N)=O)(C)C4CCC(N)=O)(C)C4N6C7=C(C8=[N](C(=CC=1C(C3(C)CC(N)=O)CCC(N)=O)C(C)(C)C8CCC(N)=O)[Co+3]256(SCC(NC(CCC(C(=O)O)N)=O)C(=O)NCC(O)=O)[N]1=CN(C2C(C(C(CO)O2)OP([O-])(OC(C)CNC(=O)CCC7(C)C4CC(N)=O)=O)O)C2=CC(=C(C=C12)C)C)C,"InChI=1S/C62H90N13O14P.C10H17N3O6S.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);/q;;+5/p-3",XRMSTELCCMHQSA,UHFFFAOYSA,K,Glutathionylcobalamin,XRMSTELCCMHQSA-UHFFFAOYSA-K
HMDB02203,188.141244506,C10H20O3,CCCCCCCC(O)CC(O)=O,"InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)",FYSSBMZUBSBFJL,UHFFFAOYSA,N,3-Hydroxycapric acid,FYSSBMZUBSBFJL-UHFFFAOYSA-N
HMDB02204,596.386560154,C40H52O4,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,"InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1",MQZIGYBFDRPAKN,UWFIBFSHSA,N,Astaxanthin,MQZIGYBFDRPAKN-UWFIBFSHSA-N
HMDB02205,183.020143093,C4H9NO5S,N[C@@H](CCS(O)(=O)=O)C(O)=O,"InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1",VBOQYPQEPHKASR,VKHMYHEASA,N,L-Homocysteic acid,VBOQYPQEPHKASR-VKHMYHEASA-N
HMDB02206,522.891898123,C10H12MoN5O8PS2,NC1=NC2=C(NC3C(N2)OC(COP(O)(O)=O)C2=C3S[Mo](=O)(=O)S2)C(=O)N1,"InChI=1S/C10H14N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;/p-2",HDAJUGGARUFROU,UHFFFAOYSA,L,Molybdopterin,HDAJUGGARUFROU-UHFFFAOYSA-L
HMDB02207,146.094294314,C7H14O3,CC(C)CC(O)CC(O)=O,"InChI=1S/C7H14O3/c1-5(2)3-6(8)4-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)",SCAWECGFPWPHAR,UHFFFAOYSA,N,3-Hydroxyisoheptanoic acid,SCAWECGFPWPHAR-UHFFFAOYSA-N
HMDB02208,452.350174646,C27H48O5,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC[C@H](O)C(C)(C)O,"InChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1",NHPWQASMMFUHIZ,YBMOUMCLSA,N,"Cholestane-3,7,12,24,25-pentol",NHPWQASMMFUHIZ-YBMOUMCLSA-N
HMDB02209,242.094294314,C15H14O3,OC1=CC=C(C=C1)[C@H]1COC2=C(C1)C=CC(O)=C2,"InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1",ADFCQWZHKCXPAJ,GFCCVEGCSA,N,Equol,ADFCQWZHKCXPAJ-GFCCVEGCSA-N
HMDB02210,151.063328537,C8H9NO2,NC(C(O)=O)C1=CC=CC=C1,"InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)",ZGUNAGUHMKGQNY,UHFFFAOYSA,N,2-Phenylglycine,ZGUNAGUHMKGQNY-UHFFFAOYSA-N
HMDB02211,836.27523138,C40H44N4O16,OC(=O)CCC1=C2CC3=C(CC(O)=O)C(CCC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=C(CC5=C(CC(O)=O)C(CCC(O)=O)=C(CC(N2)=C1CC(O)=O)N5)N4)N3,"InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)",QTTNOSKSLATGQB,UHFFFAOYSA,N,Uroporphyrinogen I,QTTNOSKSLATGQB-UHFFFAOYSA-N
HMDB02212,312.302830524,C20H40O2,CCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",VKOBVWXKNCXXDE,UHFFFAOYSA,N,Arachidic acid,VKOBVWXKNCXXDE-UHFFFAOYSA-N
HMDB02214,148.088815006,C10H12O,[H]C(=O)C1=CC=C(C=C1)C(C)C,"InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3",WTWBUQJHJGUZCY,UHFFFAOYSA,N,Cuminaldehyde,WTWBUQJHJGUZCY-UHFFFAOYSA-N
HMDB02215,239.101839307,C9H13N5O3,[H][C@@]1(CN=C2NC(N)=NC(=O)C2=N1)[C@@H](O)[C@H](C)O,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1",ZHQJVZLJDXWFFX,RPDRRWSUSA,N,4a-Carbinolamine tetrahydrobiopterin,ZHQJVZLJDXWFFX-RPDRRWSUSA-N
HMDB02217,102.031694058,C4H6O3,C[C@@H](C=O)C(O)=O,"InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m0/s1",VOKUMXABRRXHAR,VKHMYHEASA,N,(S)-Methylmalonic acid semialdehyde,VOKUMXABRRXHAR-VKHMYHEASA-N
HMDB02219,446.121296924,C22H22O10,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1,"InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3",OZBAVEKZGSOMOJ,UHFFFAOYSA,N,Glycitin,OZBAVEKZGSOMOJ-UHFFFAOYSA-N
HMDB02220,367.147846025,C14H25NO10,C[C@@H]1OC(OCC(O)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C14H25NO10/c1-5-9(19)12(22)13(23)14(25-5)24-4-8(18)11(21)10(20)7(3-16)15-6(2)17/h3,5,7-14,18-23H,4H2,1-2H3,(H,15,17)/t5-,7-,8?,9+,10+,11+,12+,13-,14?/m0/s1",YBWAUUBLHOFOPK,SOHGFDPZSA,N,N-Acetyl-6-O-L-fucosyl-D-glucosamine,YBWAUUBLHOFOPK-SOHGFDPZSA-N
HMDB02221,228.20893014,C14H28O2,CC(C)CCCC(C)CCCC(C)C(O)=O,"InChI=1S/C14H28O2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15)16/h11-13H,5-10H2,1-4H3,(H,15,16)",QFIWFUDXERFOIY,UHFFFAOYSA,N,"2,6,10-Trimethylundecanoic acid",QFIWFUDXERFOIY-UHFFFAOYSA-N
HMDB02222,150.068079564,C9H10O2,CC1=CC(CC(O)=O)=CC=C1,"InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",GJMPSRSMBJLKKB,UHFFFAOYSA,N,3-Methylphenylacetic acid,GJMPSRSMBJLKKB-UHFFFAOYSA-N
HMDB02224,241.106255983,C10H15N3O4,CC1=CN([C@H]2CC(O)[C@@H](CO)O2)C(=O)N=C1N,"InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6?,7-,8-/m1/s1",LUCHPKXVUGJYGU,SPDVFEMOSA,N,5-Methyldeoxycytidine,LUCHPKXVUGJYGU-SPDVFEMOSA-N
HMDB02226,332.271530396,C22H36O2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O,"InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-",TWSWSIQAPQLDBP,DOFZRALJSA,N,Adrenic acid,TWSWSIQAPQLDBP-DOFZRALJSA-N
HMDB02227,305.199093735,C18H27NO3,COC1=C(O)C=CC(CNC(=O)CCCC\C=C\C(C)C)=C1,"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+",YKPUWZUDDOIDPM,SOFGYWHQSA,N,Capsaicin,YKPUWZUDDOIDPM-SOFGYWHQSA-N
HMDB02229,166.062994186,C9H10O3,OC(=O)CCOC1=CC=CC=C1,"InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)",BUSOTUQRURCMCM,UHFFFAOYSA,N,3-Phenoxypropionic acid,BUSOTUQRURCMCM-UHFFFAOYSA-N
HMDB02230,438.4436811,C29H58O2,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C29H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H,30,31)",IHEJEKZAKSNRLY,UHFFFAOYSA,N,Nonacosanoic acid,IHEJEKZAKSNRLY-UHFFFAOYSA-N
HMDB02231,310.28718046,C20H38O2,CCCCCCCC\C=C/CCCCCCCCCC(O)=O,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-",BITHHVVYSMSWAG,KTKRTIGZSA,N,Eicosenoic acid,BITHHVVYSMSWAG-KTKRTIGZSA-N
HMDB02232,320.23514489,C20H32O3,CCCCC\C=C/C\C=C/CC1OC1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-",DBWQSCSXHFNTMO,TYAUOURKSA,N,"8,9-Epoxyeicosatrienoic acid",DBWQSCSXHFNTMO-TYAUOURKSA-N
HMDB02234,129.042593095,C5H7NO3,OC1CN=C(C1)C(O)=O,"InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h3,7H,1-2H2,(H,8,9)",AOMLMYXPXUTBQH,UHFFFAOYSA,N,1-Pyrroline-4-hydroxy-2-carboxylate,AOMLMYXPXUTBQH-UHFFFAOYSA-N
HMDB02235,511.190104769,C20H33NO14,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)OC=C2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C20H33NO14/c1-6-11(25)14(28)16(30)19(32-6)35-18-15(29)12(26)10(4-23)33-20(18)34-17-8(21-7(2)24)5-31-9(3-22)13(17)27/h5-6,9-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)/t6-,9+,10+,11+,12-,13+,14+,15-,16-,17+,18+,19-,20-/m0/s1",UGHZPGYGEJKBOY,LMHWPNOYSA,N,"O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol",UGHZPGYGEJKBOY-LMHWPNOYSA-N
HMDB02236,336.230059512,C20H32O4,CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18-/m0/s1",BGKHCLZFGPIKKU,DRSVPBQLSA,N,8-iso-PGA1,BGKHCLZFGPIKKU-DRSVPBQLSA-N
HMDB02237,150.068079564,C9H10O2,CC1=C(C)C=C(C=C1)C(O)=O,"InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)",OPVAJFQBSDUNQA,UHFFFAOYSA,N,"3,4-Dimethylbenzoic acid",OPVAJFQBSDUNQA-UHFFFAOYSA-N
HMDB02238,171.002384539,C3H9NO3S2,N[C@@H](CCS)S(O)(=O)=O,"InChI=1S/C3H9NO3S2/c4-3(1-2-8)9(5,6)7/h3,8H,1-2,4H2,(H,5,6,7)/t3-/m1/s1",MHHDKRFQNZZMOE,GSVOUGTGSA,N,L-Homocysteine sulfonic acid,MHHDKRFQNZZMOE-GSVOUGTGSA-N
HMDB02242,652.253314148,C36H36N4O8,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4C=C)/C(CC(O)=O)=C3CCC(O)=O,"InChI=1S/C36H36N4O8/c1-5-20-17(2)25-13-26-18(3)21(6-9-33(41)42)29(38-26)15-31-23(8-11-35(45)46)24(12-36(47)48)32(40-31)16-30-22(7-10-34(43)44)19(4)27(39-30)14-28(20)37-25/h5,13-16,38-39H,1,6-12H2,2-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-14-,29-15-,30-16-,31-15-,32-16-",JDRJCEDEXKHHDY,TXUIXYGZSA,N,Dehydroisocoproporphyrinogen,JDRJCEDEXKHHDY-TXUIXYGZSA-N
HMDB02243,123.032028409,C6H5NO2,OC(=O)C1=CC=CC=N1,"InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)",SIOXPEMLGUPBBT,UHFFFAOYSA,N,Picolinic acid,SIOXPEMLGUPBBT-UHFFFAOYSA-N
HMDB02248,261.132470733,C10H19N3O5,NCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O,"InChI=1S/C10H19N3O5/c11-5-1-2-7(10(17)18)13-9(16)6(12)3-4-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1",FCQBDQYWNGUTPD,BQBZGAKWSA,N,Gamma glutamyl ornithine,FCQBDQYWNGUTPD-BQBZGAKWSA-N
HMDB02249,181.096359999,C7H11N5O,CC1CNC2=C(N1)C(=O)N=C(N)N2,"InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)",HWOZEJJVUCALGB,UHFFFAOYSA,N,6-Methyltetrahydropterin,HWOZEJJVUCALGB-UHFFFAOYSA-N
HMDB02250,343.272258677,C19H37NO4,CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1",FUJLYHJROOYKRA,QGZVFWFLSA,N,Dodecanoylcarnitine,FUJLYHJROOYKRA-QGZVFWFLSA-N
HMDB02252,871.141423115,C28H40N7O17P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=CC=C1,"InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1",VEVJTUNLALKRNO,VBDPZXIHSA,N,Benzoyl-CoA,VEVJTUNLALKRNO-VBDPZXIHSA-N
HMDB02255,867.131252359,C25H40N7O19P3S,C[C@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13?,16?,17?,18+,22?/m1/s1",MZFOKIKEPGUZEN,YLYUOEEYSA,N,R-Methylmalonyl-CoA,MZFOKIKEPGUZEN-YLYUOEEYSA-N
HMDB02259,270.255880332,C17H34O2,CCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)",KEMQGTRYUADPNZ,UHFFFAOYSA,N,Heptadecanoic acid,KEMQGTRYUADPNZ-UHFFFAOYSA-N
HMDB02261,244.203844762,C14H28O3,CCCCCCCCCCCCC(O)C(O)=O,"InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)",JYZJYKOZGGEXSX,UHFFFAOYSA,N,2-Hydroxymyristic acid,JYZJYKOZGGEXSX-UHFFFAOYSA-N
HMDB02262,568.52193142,C39H68O2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCC)[C@H](C)CCCC(C)C,"InChI=1S/C39H68O2/c1-7-8-9-10-11-12-13-14-15-19-37(40)41-32-24-26-38(5)31(28-32)20-21-33-35-23-22-34(30(4)18-16-17-29(2)3)39(35,6)27-25-36(33)38/h20,29-30,32-36H,7-19,21-28H2,1-6H3/t30-,32+,33+,34-,35+,36+,38+,39-/m1/s1",RMLFYKFCGMSLTB,ZBDFTZOCSA,N,CE(12:0),RMLFYKFCGMSLTB-ZBDFTZOCSA-N
HMDB02263,237.086189243,C9H11N5O3,CC(O)C(O)C1=CN=C2C(=O)N=C(N)NC2=N1,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-5-7(12-4)13-9(10)14-8(5)17/h2-3,6,15-16H,1H3,(H3,10,12,13,14,17)",LNXRKRFGNHXANN,UHFFFAOYSA,N,Primapterin,LNXRKRFGNHXANN-UHFFFAOYSA-N
HMDB02264,160.109944378,C8H16O3,CCCCCC[C@@H](O)C(O)=O,"InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1",JKRDADVRIYVCCY,SSDOTTSWSA,N,(R)-2-Hydroxycaprylic acid,JKRDADVRIYVCCY-SSDOTTSWSA-N
HMDB02265,338.245709576,C20H34O4,CCCCCC(O)C(O)C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-",SYAWGTIVOGUZMM,ILYOTBPNSA,N,"14,15-DiHETrE",SYAWGTIVOGUZMM-ILYOTBPNSA-N
HMDB02266,144.042258744,C6H8O4,C\C(=C/CC(O)=O)C(O)=O,"InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+",JKGHDBJDBRBRNA,DUXPYHPUSA,N,(E)-2-Methylglutaconic acid,JKGHDBJDBRBRNA-DUXPYHPUSA-N
HMDB02268,552.433116414,C40H56O,C\C(\C=C\C=C(/C)\C=C\C1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38?/m0/s1",ORAKUVXRZWMARG,DWADUKLPSA,N,Alpha-Cryptoxanthin,ORAKUVXRZWMARG-DWADUKLPSA-N
HMDB02269,368.125988372,C21H20O6,COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O,"InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+",VFLDPWHFBUODDF,FCXRPNKRSA,N,Curcumin,VFLDPWHFBUODDF-FCXRPNKRSA-N
HMDB02271,140.05857751,C6H8N2O2,OC(=O)CCC1=CN=CN1,"InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)",ZCKYOWGFRHAZIQ,UHFFFAOYSA,N,Imidazolepropionic acid,ZCKYOWGFRHAZIQ-UHFFFAOYSA-N
HMDB02272,542.485151984,C40H62,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",OVSVTCFNLSGAMM,OUOOUFEBSA,N,"7,7',8,8',11,11',12,12'-Hexahydro-y,y-Carotene",OVSVTCFNLSGAMM-OUOOUFEBSA-N
HMDB02273,161.032422339,C5H7NO5,N[C@@H](CC(O)C([O-])=O)C([O-])=O,"InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/p-2/t2-,3?/m0/s1",HBDWQSHEVMSFGY,SCQFTWEKSA,L,4-Hydroxy-L-glutamic acid,HBDWQSHEVMSFGY-SCQFTWEKSA-L
HMDB02274,1343.587806391,C63H91CoN13O14P,C(CC(N)=O)C1C2=[N]3[Co+3]456(C)[N]7=CN(C8=CC(=C(C)C=C78)C)C7OC(C(C7O)OP([O-])(=O)OC(CNC(=O)CCC7(C(CC(N)=O)C(N4C7=C2C)C2(C(CC(N)=O)(C(CCC(N)=O)C(C(=C4[N]5=C(C(C4(CC(N)=O)C)CCC(N)=O)C=C3C1(C)C)C)=[N]62)C)C)C)C)CO,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;;+4/p-2",HWZSKGKPYZYQIE,UHFFFAOYSA,L,Methylcobalamin,HWZSKGKPYZYQIE-UHFFFAOYSA-L
HMDB02275,255.096753929,C9H13N5O4,NC1=NC(=O)C2=C(NCC(=N2)C(O)C(O)CO)N1,"InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)",YQIFAMYNGGOTFB,UHFFFAOYSA,N,"7,8-Dihydroneopterin",YQIFAMYNGGOTFB-UHFFFAOYSA-N
HMDB02276,511.190104769,C20H33NO14,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](CO)OC=C(NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C20H33NO14/c1-6-11(25)14(28)16(30)19(32-6)35-18-15(29)13(27)9(3-22)33-20(18)34-17-10(4-23)31-5-8(12(17)26)21-7(2)24/h5-6,9-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)/t6-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18+,19-,20-/m0/s1",HNYYHAIRGRIQQX,JGMDXMHSSA,N,"O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol",HNYYHAIRGRIQQX-JGMDXMHSSA-N
HMDB02277,342.204238692,C18H30O6,CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(O)=O,"InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16-,17-/m0/s1",DNKGWNLXBRCUCF,FNQTXCPHSA,N,"2,3-Dinor-6-keto-prostaglandin F1 a",DNKGWNLXBRCUCF-FNQTXCPHSA-N
HMDB02278,365.132195961,C14H23NO10,CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C14H23NO10/c1-5(18)15-6-4-23-7(2-16)10(20)13(6)25-14-12(22)11(21)9(19)8(3-17)24-14/h4,7-14,16-17,19-22H,2-3H2,1H3,(H,15,18)/t7-,8-,9+,10-,11+,12-,13-,14+/m1/s1",SXLFMZWGFIBWMJ,QTGWYDPFSA,N,"2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol",SXLFMZWGFIBWMJ-QTGWYDPFSA-N
HMDB02281,257.112403993,C9H15N5O4,CC(O)C(O)C1CNC2=NC(N)=NC(=O)C2(O)N1,"InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)",KJKIEFUPAPPGBC,UHFFFAOYSA,N,4a-Hydroxytetrahydrobiopterin,KJKIEFUPAPPGBC-UHFFFAOYSA-N
HMDB02282,365.132195961,C14H23NO10,[H][C@@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)OC=C(NC(C)=O)[C@H]1O,"InChI=1S/C14H23NO10/c1-5(18)15-6-4-23-8(3-17)13(9(6)19)25-14-12(22)11(21)10(20)7(2-16)24-14/h4,7-14,16-17,19-22H,2-3H2,1H3,(H,15,18)/t7-,8-,9-,10+,11+,12-,13-,14+/m1/s1",MIDRXTGJGROJRO,JFXDCXPESA,N,"2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol",MIDRXTGJGROJRO-JFXDCXPESA-N
HMDB02283,320.23514489,C20H32O3,CCCCC[C@@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/t18-,19+/m0/s1",JBSCUHKPLGKXKH,LLZJRKGESA,N,"14R,15S-EpETrE",JBSCUHKPLGKXKH-LLZJRKGESA-N
HMDB02284,144.126263144,C7H16N2O,CC(=O)NCCCCCN,"InChI=1S/C7H16N2O/c1-7(10)9-6-4-2-3-5-8/h2-6,8H2,1H3,(H,9,10)",RMOIHHAKNOFHOE,UHFFFAOYSA,N,N-Acetylcadaverine,RMOIHHAKNOFHOE-UHFFFAOYSA-N
HMDB02285,161.047678473,C9H7NO2,OC(=O)C1=CC2=C(N1)C=CC=C2,"InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)",HCUARRIEZVDMPT,UHFFFAOYSA,N,2-Indolecarboxylic acid,HCUARRIEZVDMPT-UHFFFAOYSA-N
HMDB02287,117.024834541,C4H7NOS,NC1CCSC1=O,"InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2",KIWQWJKWBHZMDT,UHFFFAOYSA,N,Homocysteine thiolactone,KIWQWJKWBHZMDT-UHFFFAOYSA-N
HMDB02288,973.282273691,C35H58N7O17P3S,CCCCC\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-12,22-24,28-30,34,45-46H,4-7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b9-8-,12-11-",MJBZUCVXTFUVFY,MURFETPASA,N,5-cis-8-cis-Tetradecadienoyl-CoA,MJBZUCVXTFUVFY-MURFETPASA-N
HMDB02289,889.188373307,C29H46N7O17P3S,CCC\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C29H46N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h6-9,16-18,22-24,28,39-40H,4-5,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b7-6+,9-8+/t18-,22-,23-,24?,28-/m1/s1",HOQIPZYVEOMJGX,LEIHBCTOSA,N,"2-trans,4-trans-Octadienoyl-CoA",HOQIPZYVEOMJGX-LEIHBCTOSA-N
HMDB02290,74.921596417,As,[As+3],InChI=1S/As/q+3,LULLIKNODDLMDQ,UHFFFAOYSA,N,Arsenic,LULLIKNODDLMDQ-UHFFFAOYSA-N
HMDB02294,376.224974134,C22H32O5,CC\C=C/C[C@H](O)C(O)\C=C\C=C\C=C/C=C/[C@H](O)C\C=C/CCC(O)=O,"InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20-,21?/m0/s1",IKFAUGXNBOBQDM,GIINMYNKSA,N,Resolvin D2,IKFAUGXNBOBQDM-GIINMYNKSA-N
HMDB02297,536.438201792,C40H56,CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C,"InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11-,25-15+,26-16+,31-17+,32-18+,35-21-,36-22+,37-27+,38-28+,39-29+,40-30+",OAIJSZIZWZSQBC,BOJOQWLHSA,N,"cis-y,y-Carotene",OAIJSZIZWZSQBC-BOJOQWLHSA-N
HMDB02299,103.063328537,C4H9NO2,C[C@H](CN)C(O)=O,"InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",QCHPKSFMDHPSNR,GSVOUGTGSA,N,(R)-b-aminoisobutyric acid,QCHPKSFMDHPSNR-GSVOUGTGSA-N
HMDB02302,189.078978601,C11H11NO2,OC(=O)CCC1=CNC2=CC=CC=C12,"InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)",GOLXRNDWAUTYKT,UHFFFAOYSA,N,3-Indolepropionic acid,GOLXRNDWAUTYKT-UHFFFAOYSA-N
HMDB02303,62.019020882,C2H6S,CSC,InChI=1S/C2H6S/c1-3-2/h1-2H3,QMMFVYPAHWMCMS,UHFFFAOYSA,N,Dimethylsulfide,QMMFVYPAHWMCMS-UHFFFAOYSA-N
HMDB02304,379.272258677,C22H37NO4,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)NCCO,"InChI=1S/C22H37NO4/c1-2-3-4-5-6-9-13-20(25)14-10-7-8-11-15-21(26)16-12-17-22(27)23-18-19-24/h6-11,14-15,20-21,24-26H,2-5,12-13,16-19H2,1H3,(H,23,27)/b8-7+,9-6-,14-10+,15-11-/t20-,21-/m1/s1",DQLVVNIINUTUIU,XLFGVTECSA,N,Leukotriene B4 ethanolamide,DQLVVNIINUTUIU-XLFGVTECSA-N
HMDB02305,313.067501015,C8H16N3O8P,N\C(CNC=O)=N/C1OC(COP(O)(O)=O)C(O)C1O,"InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)",PMCOGCVKOAOZQM,UHFFFAOYSA,N,5'-phosphoribosyl-a-N-formylglycineamidine,PMCOGCVKOAOZQM-UHFFFAOYSA-N
HMDB02306,35.976677739,ClH,Cl,InChI=1S/ClH/h1H,VEXZGXHMUGYJMC,UHFFFAOYSA,N,Hydrochloric acid,VEXZGXHMUGYJMC-UHFFFAOYSA-N
HMDB02307,821.125773051,C24H38N7O17P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)C=C,"InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19?,23-/m1/s1",POODSGUMUCVRTR,UXYNFSPESA,N,Acrylyl-CoA,POODSGUMUCVRTR-UXYNFSPESA-N
HMDB02308,1346.574895981,C62H90CoN13O15P,[Co++].O.OC[C@H]1O[C@@]([H])([C@H](O)[C@]1([H])OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])[N-]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N)N1C=NC2=C1C=C(C)C(C)=C2,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",DQOCFCZRZOAIBN,WZHZPDAFSA,L,Hydroxycobalamin,DQOCFCZRZOAIBN-WZHZPDAFSA-L
HMDB02310,867.131252359,C25H40N7O19P3S,C[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13?,16+,17+,18-,22?/m0/s1",MZFOKIKEPGUZEN,JDVCRUKVSA,N,S-Methylmalonyl-CoA,MZFOKIKEPGUZEN-JDVCRUKVSA-N
HMDB02311,338.245709576,C20H34O4,CCCCC\C=C/C\C=C/CC(O)C(O)C\C=C/CCCC(O)=O,"InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-",DCJBINATHQHPKO,TYAUOURKSA,N,"8,9-DiHETrE",DCJBINATHQHPKO-TYAUOURKSA-N
HMDB02314,338.245709576,C20H34O4,CCCCC\C=C/CC(O)C(O)C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/b8-6-,12-9-,13-10-",LRPPQRCHCPFBPE,KROJNAHFSA,N,"11,12-DiHETrE",LRPPQRCHCPFBPE-KROJNAHFSA-N
HMDB02318,660.335706372,C32H52O14,C\C(CC\C=C(/C)CC(O)\C=C(/C)C(O)=O)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C32H52O14/c1-6-32(5,12-8-11-17(2)9-7-10-18(3)13-20(35)14-19(4)29(41)42)46-31-28(26(39)24(37)22(16-34)44-31)45-30-27(40)25(38)23(36)21(15-33)43-30/h6,10-11,14,20-28,30-31,33-40H,1,7-9,12-13,15-16H2,2-5H3,(H,41,42)/b17-11+,18-10+,19-14+",ISQUNAAALVXWGI,DFTZOVBQSA,N,Capsianoside I,ISQUNAAALVXWGI-DFTZOVBQSA-N
HMDB02320,156.053492132,C6H8N2O3,OC(CN1C=CN=C1)C(O)=O,"InChI=1S/C6H8N2O3/c9-5(6(10)11)3-8-2-1-7-4-8/h1-2,4-5,9H,3H2,(H,10,11)",JTYMXXCJQKGGFG,UHFFFAOYSA,N,Imidazolelactic acid,JTYMXXCJQKGGFG-UHFFFAOYSA-N
HMDB02322,102.115698458,C5H14N2,NCCCCCN,InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2,VHRGRCVQAFMJIZ,UHFFFAOYSA,N,Cadaverine,VHRGRCVQAFMJIZ-UHFFFAOYSA-N
HMDB02326,268.037173358,C15H8O5,OC1=CC2=C(C=C1)C1=C(O2)C2=C(OC1=O)C=C(O)C=C2,"InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H",ZZIALNLLNHEQPJ,UHFFFAOYSA,N,Coumesterol,ZZIALNLLNHEQPJ-UHFFFAOYSA-N
HMDB02327,244.167459256,C13H24O4,OC(=O)CCCCCCCCCCCC(O)=O,"InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)",DXNCZXXFRKPEPY,UHFFFAOYSA,N,"1,11-Undecanedicarboxylic acid",DXNCZXXFRKPEPY-UHFFFAOYSA-N
HMDB02329,89.995308552,C2H2O4,OC(=O)C(O)=O,"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)",MUBZPKHOEPUJKR,UHFFFAOYSA,N,Oxalic acid,MUBZPKHOEPUJKR-UHFFFAOYSA-N
HMDB02331,258.08518619,C10H14N2O6,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC(CC(O)=O)=C1,"InChI=1S/C10H14N2O6/c13-3-6-8(16)9(17)10(18-6)12-2-5(11-4-12)1-7(14)15/h2,4,6,8-10,13,16-17H,1,3H2,(H,14,15)/t6-,8-,9-,10-/m1/s1",AHPWEWASPTZMEK,PEBGCTIMSA,N,Imidazoleacetic acid riboside,AHPWEWASPTZMEK-PEBGCTIMSA-N
HMDB02332,151.977943928,C3H4O5S,OC(=O)C(=O)CS(O)=O,"InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)",JXYLQEMXCAAMOL,UHFFFAOYSA,N,B-Sulfinyl pyruvate,JXYLQEMXCAAMOL-UHFFFAOYSA-N
HMDB02334,166.02660868,C8H6O4,OC(=O)CC1=CC(=O)C=CC1=O,"InChI=1S/C8H6O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)",RAPRJRLALQKSHB,UHFFFAOYSA,N,Benzoquinoneacetic acid,RAPRJRLALQKSHB-UHFFFAOYSA-N
HMDB02335,230.090271568,C9H14N2O5,N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1",UKGGPJNBONZZCM,WDSKDSINSA,N,Aspartyl-L-proline,UKGGPJNBONZZCM-WDSKDSINSA-N
HMDB02336,354.095082174,C16H18O9,CC1=CC(=O)C2=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C2O1,"InChI=1S/C16H18O9/c1-5-2-6(18)10-8(24-5)3-7(19)11(13(10)21)16-15(23)14(22)12(20)9(4-17)25-16/h2-3,9,12,14-17,19-23H,4H2,1H3/t9-,12-,14+,15-,16+/m1/s1",XTZWWMZDVUKEDJ,SPEJKDPOSA,N,Biflorin,XTZWWMZDVUKEDJ-SPEJKDPOSA-N
HMDB02337,326.318480588,C21H42O2,CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)=O,"InChI=1S/C21H42O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21(22)23/h17-20H,6-16H2,1-5H3,(H,22,23)",ORMFWDWAJNERRN,UHFFFAOYSA,N,Homophytanic acid,ORMFWDWAJNERRN-UHFFFAOYSA-N
HMDB02338,284.068473486,C16H12O5,COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3",WUADCCWRTIWANL,UHFFFAOYSA,N,Biochanin A,WUADCCWRTIWANL-UHFFFAOYSA-N
HMDB02339,234.100442324,C12H14N2O3,COC1=CC2=C(NC=C2C[C@H](N)C(O)=O)C=C1,"InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1",KVNPSKDDJARYKK,JTQLQIEISA,N,5-Methoxytryptophan,KVNPSKDDJARYKK-JTQLQIEISA-N
HMDB02340,136.0524295,C8H8O2,CC1=C(C=CC=C1)C(O)=O,"InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)",ZWLPBLYKEWSWPD,UHFFFAOYSA,N,2-Methylbenzoic acid,ZWLPBLYKEWSWPD-UHFFFAOYSA-N
HMDB02341,350.20932407,C20H30O5,CCCCCC(=O)\C=C\[C@H]1C(O)CC(=O)[C@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,19?/m0/s1",YRTJDWROBKPZNV,LSAJIUQUSA,N,8-iso-15-keto-PGE2,YRTJDWROBKPZNV-LSAJIUQUSA-N
HMDB02343,338.245709576,C20H34O4,CCCCC\C=C/C\C=C/C\C=C/CC(O)C(O)CCCC(O)=O,"InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-",GFNYAPAJUNPMGH,QNEBEIHSSA,N,"5,6-DHET",GFNYAPAJUNPMGH-QNEBEIHSSA-N
HMDB02345,326.318480588,C21H42O2,CCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)",CKDDRHZIAZRDBW,UHFFFAOYSA,N,Heneicosanoic acid,CKDDRHZIAZRDBW-UHFFFAOYSA-N
HMDB02346,839.136337737,C24H40N7O18P3S,CC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12?,13-,16-,17-,18+,22-/m1/s1",VIWKEBOLLIEAIL,FBMOWMAESA,N,Lactyl-CoA,VIWKEBOLLIEAIL-FBMOWMAESA-N
HMDB02348,424.428031036,C28H56O2,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)",UTOPWMOLSKOLTQ,UHFFFAOYSA,N,Octacosanoic acid,UTOPWMOLSKOLTQ-UHFFFAOYSA-N
HMDB02349,142.02660868,C6H6O4,OC(=O)\C=C\C=C\C(O)=O,"InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+",TXXHDPDFNKHHGW,ZPUQHVIOSA,N,trans-trans-Muconic acid,TXXHDPDFNKHHGW-ZPUQHVIOSA-N
HMDB02350,270.292265838,C18H38O,CCCCCCCCCCCCCCCCCCO,"InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3",GLDOVTGHNKAZLK,UHFFFAOYSA,N,Octadecanol,GLDOVTGHNKAZLK-UHFFFAOYSA-N
HMDB02352,236.177630013,C15H24O2,C[C@@H]1[C@H](O)C[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C,"InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1",BXXSHQYDJWZXPB,OKNSCYNVSA,N,Capsidiol,BXXSHQYDJWZXPB-OKNSCYNVSA-N
HMDB02353,652.273106116,C32H44O14,OC[C@H]1OC(OC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(41)45-31-27(39)25(37)23(35)21(15-33)43-31)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(40)26(38)24(36)22(16-34)44-32/h5-14,21-28,31-40H,15-16H2,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31+,32?/m1/s1",QBZWPZHDUZGTLS,BLVFRQJQSA,N,Dicrocin,QBZWPZHDUZGTLS-BLVFRQJQSA-N
HMDB02354,291.077657971,C11H17NO6S,NC(CSC1CC(O)C=CC1(O)CC(O)=O)C(O)=O,"InChI=1S/C11H17NO6S/c12-7(10(16)17)5-19-8-3-6(13)1-2-11(8,18)4-9(14)15/h1-2,6-8,13,18H,3-5,12H2,(H,14,15)(H,16,17)",SPXVLTDISXZSFM,UHFFFAOYSA,N,Hawkinsin,SPXVLTDISXZSFM-UHFFFAOYSA-N
HMDB02355,441.254894053,C23H39NO5S,CCCCCCCC\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C23H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h9-13,16,19-21,25H,2-8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1",KRTWHKZMWCZCIK,VRZYSOTLSA,N,Leukotriene E3,KRTWHKZMWCZCIK-VRZYSOTLSA-N
HMDB02356,396.396730908,C26H52O2,CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)",XMHIUKTWLZUKEX,UHFFFAOYSA,N,Hexacosanoic acid,XMHIUKTWLZUKEX-UHFFFAOYSA-N
HMDB02358,332.198759384,C20H28O4,CC(C)C1=CC2=C(C(O)=C1O)[C@]1(CCCC(C)(C)C1CC2)C(O)=O,"InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14?,20-/m1/s1",QRYRORQUOLYVBU,YBMSBYLISA,N,Carnosic acid,QRYRORQUOLYVBU-YBMSBYLISA-N
HMDB02359,146.036779436,C9H6O2,OC(=O)C#CC1=CC=CC=C1,"InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)",XNERWVPQCYSMLC,UHFFFAOYSA,N,Phenylpropiolic acid,XNERWVPQCYSMLC-UHFFFAOYSA-N
HMDB02360,442.38108085,C30H50O2,[H][C@@]12CC(C)(C)CC[C@]1(CO)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C,"InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1",PSZDOEIIIJFCFE,OSQDELBUSA,N,Erythrodiol,PSZDOEIIIJFCFE-OSQDELBUSA-N
HMDB02361,382.381080844,C25H50O2,CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)",MWMPEAHGUXCSMY,UHFFFAOYSA,N,Pentacosanoic acid,MWMPEAHGUXCSMY-UHFFFAOYSA-N
HMDB02362,118.074227574,C4H10N2O2,NCCC(N)C(O)=O,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)",OGNSCSPNOLGXSM,UHFFFAOYSA,N,"2,4-Diaminobutyric acid",OGNSCSPNOLGXSM-UHFFFAOYSA-N
HMDB02363,352.224974134,C20H32O5,CCCCC[C@H](O)\C=C\[C@@H](C=O)[C@H](C\C=C/CCCC(O)=O)C(C)=O,"InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m0/s1",WJWAORNTZNRHBP,LBONXFAWSA,N,Levuglandin E2,WJWAORNTZNRHBP-LBONXFAWSA-N
HMDB02364,456.360345406,C30H48O3,CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",MIJYXULNPSFWEK,GTOFXWBISA,N,Oleanolic acid,MIJYXULNPSFWEK-GTOFXWBISA-N
HMDB02366,243.147058165,C12H21NO4,C\C=C(/C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+",WURBQCVBQNMUQT,RMKNXTFCSA,N,Tiglylcarnitine,WURBQCVBQNMUQT-RMKNXTFCSA-N
HMDB02367,790.50662781,C45H76O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O,"InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)/b38-21+,39-23+,40-25-,41-27-,42-29-,43-31-,44-33-,45-35-",IVLBHBFTRNVIAP,HUIBRQQWSA,N,Solanesyl-PP,IVLBHBFTRNVIAP-HUIBRQQWSA-N
HMDB02368,366.349780716,C24H46O2,CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O,"InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-",GWHCXVQVJPWHRF,KTKRTIGZSA,N,Nervonic acid,GWHCXVQVJPWHRF-KTKRTIGZSA-N
HMDB02369,300.20893014,C20H28O2,C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+",SHGAZHPCJJPHSC,ZVCIMWCZSA,N,9-cis-Retinoic acid,SHGAZHPCJJPHSC-ZVCIMWCZSA-N
HMDB02372,283.120843415,C17H17NO3,OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC1=CC=CC=C1,"InChI=1S/C17H17NO3/c19-16(12-14-9-5-2-6-10-14)18-15(17(20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m0/s1",LIIPHJDKZNTNII,HNNXBMFYSA,N,N-Phenylacetylphenylalanine,LIIPHJDKZNTNII-HNNXBMFYSA-N
HMDB02373,186.161979948,C11H22O2,CC(C)CCCC(C)CCC(O)=O,"InChI=1S/C11H22O2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)",VZPIUNDOWLDCTC,UHFFFAOYSA,N,"4,6-Dimethylnonanoic acid",VZPIUNDOWLDCTC-UHFFFAOYSA-N
HMDB02374,412.370516166,C29H48O,C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1",OSELKOCHBMDKEJ,WGMIZEQOSA,N,Avenasterol,OSELKOCHBMDKEJ-WGMIZEQOSA-N
HMDB02375,474.07982604,C22H18O12,OC(=O)[C@@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)[C@@H](C(O)=O)OC(=O)\C=C\C1=CC(O)=C(O)C=C1,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m0/s1",YDDGKXBLOXEEMN,QFZCZCNSSA,N,Chicoric acid,YDDGKXBLOXEEMN-QFZCZCNSSA-N
HMDB02376,814.325929546,C38H54O19,C\C(\C=C\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)OC1O[C@@H](COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22-,23?,24+,25-,26?,27?,28+,29?,30?,31-,32?,33?,36-,37?,38?/m1/s1",CZSBHMFVVLYIQQ,AUXQCMSZSA,N,Tricrocin,CZSBHMFVVLYIQQ-AUXQCMSZSA-N
HMDB02377,325.030330623,C11H11N5O3S2,CSC1=C(SC2=C1N=C1C(=O)N=C(N)NC1=N2)C(O)CO,"InChI=1S/C11H11N5O3S2/c1-20-7-4-10(21-6(7)3(18)2-17)14-8-5(13-4)9(19)16-11(12)15-8/h3,17-18H,2H2,1H3,(H3,12,14,15,16,19)",RPUOVNROVSNPBD,UHFFFAOYSA,N,Urothion,RPUOVNROVSNPBD-UHFFFAOYSA-N
HMDB02379,566.289305724,C34H38N4O4,CCC1=C(C)/C2=C/C3=C(CC)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C,"InChI=1S/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35-36H,7-12H2,1-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",NCAJWYASAWUEBY,UJJXFSCMSA,N,Mesoporphyrin IX,NCAJWYASAWUEBY-UJJXFSCMSA-N
HMDB02381,264.077992322,C9H16N2O5S,CC(=O)NC(CSCC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C9H16N2O5S/c1-5(12)11-7(9(15)16)4-17-3-2-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7?/m0/s1",QWACVTVBTRSCRL,PKPIPKONSA,N,N-Acetylcystathionine,QWACVTVBTRSCRL-PKPIPKONSA-N
HMDB02384,268.276615774,C18H36O,CCCCCCCCCCCCCCCCCC=O,"InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3",FWWQKRXKHIRPJY,UHFFFAOYSA,N,Stearaldehyde,FWWQKRXKHIRPJY-UHFFFAOYSA-N
HMDB02385,450.277009704,C29H38O4,[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(O)=O,"InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1",KQJSQWZMSAGSHN,JJWQIEBTSA,N,Celastrol,KQJSQWZMSAGSHN-JJWQIEBTSA-N
HMDB02386,11.009305466,B,[B+3],InChI=1S/B/q+3,FRWDHMWMHYXNLW,UHFFFAOYSA,N,Boron,FRWDHMWMHYXNLW-UHFFFAOYSA-N
HMDB02387,9.012182135,Be,[Be++],InChI=1S/Be/q+2,PWOSZCQLSAMRQW,UHFFFAOYSA,N,Beryllium,PWOSZCQLSAMRQW-UHFFFAOYSA-N
HMDB02388,456.360345402,C30H48O3,[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C,"InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1",NBGQZFQREPIKMG,PONOSELZSA,N,Boswellic acid,NBGQZFQREPIKMG-PONOSELZSA-N
HMDB02390,152.047344122,C8H8O3,CC1=C(O)C(=CC=C1)C(O)=O,"InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)",WHSXTWFYRGOBGO,UHFFFAOYSA,N,3-Cresotinic acid,WHSXTWFYRGOBGO-UHFFFAOYSA-N
HMDB02391,442.38108085,C30H50O2,[H]OC([H])([H])[C@]12C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])C1=C([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H],"InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1",XUARCIYIVXVTAE,ZAPOICBTSA,N,Uvaol,XUARCIYIVXVTAE-ZAPOICBTSA-N
HMDB02392,472.355260026,C30H48O4,[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1",MDZKJHQSJHYOHJ,LLICELPBSA,N,Maslinic acid,MDZKJHQSJHYOHJ-LLICELPBSA-N
HMDB02393,147.053157781,C5H9NO4,CN[C@H](CC(O)=O)C(O)=O,"InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1",HOKKHZGPKSLGJE,GSVOUGTGSA,N,N-Methyl-D-aspartic acid,HOKKHZGPKSLGJE-GSVOUGTGSA-N
HMDB02394,382.323565966,C27H42O,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,"InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1",XIWMRKFKSRYSIJ,GYKMGIIDSA,N,"Cholesta-4,6-dien-3-one",XIWMRKFKSRYSIJ-GYKMGIIDSA-N
HMDB02395,456.360345406,C30H48O3,[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",WCGUUGGRBIKTOS,GPOJBZKASA,N,Ursolic acid,WCGUUGGRBIKTOS-GPOJBZKASA-N
HMDB02396,256.240230268,C16H32O2,CC(C)CCCC(C)CCCC(C)CCC(O)=O,"InChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18)",FUYCAQNCWDAOLQ,UHFFFAOYSA,N,Trimethyltridecanoic acid,FUYCAQNCWDAOLQ-UHFFFAOYSA-N
HMDB02398,976.378752941,C44H64O24,C\C(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1",SEBIKDIMAPSUBY,RTJKDTQDSA,N,Crocin,SEBIKDIMAPSUBY-RTJKDTQDSA-N
HMDB02399,238.062342258,C7H14N2O5S,N[C@@H](CCS(=O)C[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C7H14N2O5S/c8-4(6(10)11)1-2-15(14)3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-,15?/m0/s1",JNUGGJHCMRWUDV,FMMPLYQGSA,N,Cystathionine sulfoxide,JNUGGJHCMRWUDV-FMMPLYQGSA-N
HMDB02400,352.224974134,C20H32O5,CCCCC[C@H](O)\C=C\[C@H]([C@@H](C\C=C/CCCC(O)=O)C=O)C(C)=O,"InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1",MLLWPVVMXGUOHD,QNUMDXCLSA,N,Levuglandin D2,MLLWPVVMXGUOHD-QNUMDXCLSA-N
HMDB02404,195.053157781,C9H9NO4,OC(NC(=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)",GCWCVCCEIQXUQU,UHFFFAOYSA,N,Alpha-Hydroxyhippuric acid,GCWCVCCEIQXUQU-UHFFFAOYSA-N
HMDB02409,529.270938047,C26H43NO8S,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O,"InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1",DKXXSIJHWWVNMO,XROMFQGDSA,N,"N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine",DKXXSIJHWWVNMO-XROMFQGDSA-N
HMDB02421,488.244388946,C24H40O8S,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O8S/c1-13(4-7-21(27)28)16-5-6-17-22-18(12-20(26)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)32-33(29,30)31/h13-20,22,25-26H,4-12H2,1-3H3,(H,27,28)(H,29,30,31)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",RRVLNNMINXAIKC,OELDTZBJSA,N,7-Sulfocholic acid,RRVLNNMINXAIKC-OELDTZBJSA-N
HMDB02428,166.02660868,C8H6O4,OC(=O)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)",KKEYFWRCBNTPAC,UHFFFAOYSA,N,Terephthalic acid,KKEYFWRCBNTPAC-UHFFFAOYSA-N
HMDB02429,659.333932233,C32H53NO11S,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C32H53NO11S/c1-17(4-9-24(34)33-14-15-45(40,41)42)21-7-8-22-20-6-5-18-16-19(10-12-31(18,2)23(20)11-13-32(21,22)3)43-30-27(37)25(35)26(36)28(44-30)29(38)39/h17-23,25-28,30,35-37H,4-16H2,1-3H3,(H,33,34)(H,38,39)(H,40,41,42)/t17-,18-,19?,20+,21-,22+,23+,25+,26+,27-,28+,30-,31+,32-/m1/s1",YRKZDONPVFEWNN,CNEWWJQRSA,N,"(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid",YRKZDONPVFEWNN-CNEWWJQRSA-N
HMDB02430,568.324747756,C30H48O10,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCC(O)=O,"InChI=1S/C30H48O10/c1-14(4-7-21(32)33)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(12-15(29)13-20(22)31)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-20,22-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28?,29+,30-/m1/s1",GDNGOAUIUTXUES,RWDHRDFGSA,N,"(3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid",GDNGOAUIUTXUES-RWDHRDFGSA-N
HMDB02431,376.297745146,C24H40O3,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O3/c1-15(7-12-22(26)27)18-10-11-19-17-9-8-16-6-4-5-13-23(16,2)20(17)14-21(25)24(18,19)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18-,19+,20+,21-,23+,24-/m1/s1",OBUOWZOYJNAMCZ,ORVKXXEISA,N,12b-Hydroxy-5b-cholanoic acid,OBUOWZOYJNAMCZ-ORVKXXEISA-N
HMDB02432,142.02660868,C6H6O4,OCC1=CC=C(O1)C(O)=O,"InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)",PCSKKIUURRTAEM,UHFFFAOYSA,N,Sumiki's acid,PCSKKIUURRTAEM-UHFFFAOYSA-N
HMDB02434,110.036779436,C6H6O2,OC1=CC=C(O)C=C1,"InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H",QIGBRXMKCJKVMJ,UHFFFAOYSA,N,Hydroquinone,QIGBRXMKCJKVMJ-UHFFFAOYSA-N
HMDB02441,160.073558872,C7H12O4,CC(C)(CC(O)=O)CC(O)=O,"InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)",DUHQIGLHYXLKAE,UHFFFAOYSA,N,"3,3-Dimethylglutaric acid",DUHQIGLHYXLKAE-UHFFFAOYSA-N
HMDB02451,392.292659768,C24H40O4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1",ZHCAAZIHTDCFJX,BJMHMCHXSA,N,"7b,12a-Dihydroxycholanoic acid",ZHCAAZIHTDCFJX-BJMHMCHXSA-N
HMDB02453,120.042258744,C4H8O4,C[C@@H](O)[C@H](O)C(O)=O,"InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m1/s1",LOUGYXZSURQALL,GBXIJSLDSA,N,4-Deoxythreonic acid,LOUGYXZSURQALL-GBXIJSLDSA-N
HMDB02455,103.026943031,C3H5NO3,C\C(=N/O)C(O)=O,"InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+",MVGBKLTYYAYYGY,DUXPYHPUSA,N,Pyruvatoxime,MVGBKLTYYAYYGY-DUXPYHPUSA-N
HMDB02457,57.935347922,Ni,[Ni++],InChI=1S/Ni/q+2,VEQPNABPJHWNSG,UHFFFAOYSA,N,Nickel,VEQPNABPJHWNSG-UHFFFAOYSA-N
HMDB02466,138.031694053,C7H6O3,OC(=O)C1=CC(O)=CC=C1,"InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)",IJFXRHURBJZNAO,UHFFFAOYSA,N,3-Hydroxybenzoic acid,IJFXRHURBJZNAO-UHFFFAOYSA-N
HMDB02467,161.032422339,C5H7NO5,O\N=C(/CCC(O)=O)C(O)=O,"InChI=1S/C5H7NO5/c7-4(8)2-1-3(6-11)5(9)10/h11H,1-2H2,(H,7,8)(H,9,10)/b6-3+",RSXBEVMDACDZRB,ZZXKWVIFSA,N,A-Ketoglutaric acid oxime,RSXBEVMDACDZRB-ZZXKWVIFSA-N
HMDB02472,641.341126101,C32H51NO12,[H][C@@]12CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C32H51NO12/c1-14(4-7-22(36)33-13-23(37)38)17-5-6-18-24-19(12-21(35)32(17,18)3)31(2)9-8-16(10-15(31)11-20(24)34)44-30-27(41)25(39)26(40)28(45-30)29(42)43/h14-21,24-28,30,34-35,39-41H,4-13H2,1-3H3,(H,33,36)(H,37,38)(H,42,43)/t14-,15+,16-,17?,18+,19+,20-,21+,24+,25+,26+,27-,28+,30-,31+,32-/m1/s1",BWWWIHHYPYDOJQ,BSGVGGAOSA,N,"(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid",BWWWIHHYPYDOJQ-BSGVGGAOSA-N
HMDB02486,579.253573423,C26H45NO9S2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)S(O)(=O)=O)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO9S2/c1-15(4-7-23(30)27-10-11-37(31,32)33)18-5-6-19-24-20(14-22(29)26(18,19)3)25(2)9-8-17(38(34,35)36)12-16(25)13-21(24)28/h15-22,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32,33)(H,34,35,36)/t15-,16+,17-,18-,19+,20+,21-,22-,24+,25+,26-/m1/s1",IJHJZQKOSUFQCX,WZJRQFJBSA,N,Taurochenodeoxycholate-3-sulfate,IJHJZQKOSUFQCX-WZJRQFJBSA-N
HMDB02488,392.292659768,C24H40O4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20-,22+,23+,24-/m1/s1",ZHCAAZIHTDCFJX,CIKBIKKZSA,N,"7a,12b-dihydroxy-5b-Cholan-24-oic acid",ZHCAAZIHTDCFJX-CIKBIKKZSA-N
HMDB02492,376.297745146,C24H40O3,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O3/c1-15(7-10-21(26)27)17-8-9-18-22-19(11-13-24(17,18)3)23(2)12-5-4-6-16(23)14-20(22)25/h15-20,22,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1",JVMCMMXFADJQKU,MMSVWBHPSA,N,7a-Hydroxy-5b-cholanic acid,JVMCMMXFADJQKU-MMSVWBHPSA-N
HMDB02496,529.270938047,C26H43NO8S,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O,"InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)35-36(32,33)34/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1",GLYPHOJMMLQNJQ,GYPHWSFCSA,N,"N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine",GLYPHOJMMLQNJQ-GYPHWSFCSA-N
HMDB02497,529.270938047,C26H43NO8S,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O,"InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1",DKXXSIJHWWVNMO,GYPHWSFCSA,N,Glycochenodeoxycholate-3-sulfate,DKXXSIJHWWVNMO-GYPHWSFCSA-N
HMDB02498,579.253573423,C26H45NO9S2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO9S2/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)36-38(33,34)35/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1",WTKQKSAFONWCMW,BJLOMENOSA,N,Taurochenodeoxycholate-7-sulfate,WTKQKSAFONWCMW-BJLOMENOSA-N
HMDB02500,78.918337647,Br,[Br-],InChI=1S/BrH/h1H/p-1,CPELXLSAUQHCOX,UHFFFAOYSA,M,Bromide,CPELXLSAUQHCOX-UHFFFAOYSA-M
HMDB02501,73.921178213,Ge,[Ge+4],InChI=1S/Ge/q+4,CULSIAXQVSZNSV,UHFFFAOYSA,N,Germanium,CULSIAXQVSZNSV-UHFFFAOYSA-N
HMDB02503,50.943963675,V,[V+3],InChI=1S/V/q+3,KOKKJWHERHSKEB,UHFFFAOYSA,N,Vanadium,KOKKJWHERHSKEB-UHFFFAOYSA-N
HMDB02504,458.23382426,C23H38O7S,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)C1[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C23H38O7S/c1-13(3-8-21(25)26)16-6-7-18-17-5-4-14-11-15(30-31(27,28)29)9-10-23(14,2)19(17)12-20(24)22(16)18/h13-20,22,24H,3-12H2,1-2H3,(H,25,26)(H,27,28,29)/t13-,14-,15-,16-,17+,18+,19+,20+,22?,23+/m1/s1",WSBVSABEAXNERB,JNLBVXOESA,N,3-Sulfodeoxycholic acid,WSBVSABEAXNERB-JNLBVXOESA-N
HMDB02511,238.084123558,C12H14O5,COC1=CC(\C=C\C(O)=O)=CC(OC)=C1OC,"InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+",YTFVRYKNXDADBI,SNAWJCMRSA,N,"3,4,5-Trimethoxycinnamic acid",YTFVRYKNXDADBI-SNAWJCMRSA-N
HMDB02513,552.329833134,C30H48O9,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C30H48O9/c1-15(4-9-22(31)32)19-7-8-20-18-6-5-16-14-17(10-12-29(16,2)21(18)11-13-30(19,20)3)38-28-25(35)23(33)24(34)26(39-28)27(36)37/h15-21,23-26,28,33-35H,4-14H2,1-3H3,(H,31,32)(H,36,37)/t15-,16-,17+,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1",GIQXKAXWRLHLDD,VOJQCDQYSA,N,Lithocholate 3-O-glucuronide,GIQXKAXWRLHLDD-VOJQCDQYSA-N
HMDB02520,172.013674532,C3H9O6P,OCC(CO)OP(O)(O)=O,"InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)",DHCLVCXQIBBOPH,UHFFFAOYSA,N,Beta-Glycerophosphoric acid,DHCLVCXQIBBOPH-UHFFFAOYSA-N
HMDB02522,472.249474324,C24H40O7S,[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)31-32(28,29)30/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20?,22+,23+,24-/m1/s1",DPVCTIYTPXYDMQ,HEGLNSLBSA,N,Chenodeoxycholic acid sulfate,DPVCTIYTPXYDMQ-HEGLNSLBSA-N
HMDB02523,86.036779436,C4H6O2,O=C1CCOC1,InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,JLPJFSCQKHRSQR,UHFFFAOYSA,N,Oxolan-3-one,JLPJFSCQKHRSQR-UHFFFAOYSA-N
HMDB02536,392.292659768,C24H40O4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",ZHCAAZIHTDCFJX,QLEQUTGBSA,N,Isodeoxycholic acid,ZHCAAZIHTDCFJX-QLEQUTGBSA-N
HMDB02541,178.047738052,C6H10O6,O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H10O6/c7-2-1-12-6(11)5(10)4(9)3(2)8/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1",WTXGYGWMPUGBAL,MGCNEYSASA,N,Galactonolactone,WTXGYGWMPUGBAL-MGCNEYSASA-N
HMDB02545,194.042652674,C6H10O7,O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1",IAJILQKETJEXLJ,RSJOWCBRSA,N,Galacturonic acid,IAJILQKETJEXLJ-RSJOWCBRSA-N
HMDB02577,584.319662378,C30H48O11,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCC(O)=O,"InChI=1S/C30H48O11/c1-13(4-7-21(33)34)16-5-6-17-22-18(12-20(32)30(16,17)3)29(2)9-8-15(10-14(29)11-19(22)31)40-28-25(37)23(35)24(36)26(41-28)27(38)39/h13-20,22-26,28,31-32,35-37H,4-12H2,1-3H3,(H,33,34)(H,38,39)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1",RBLDVEUUCHVWMW,SXYQVCRBSA,N,Cholic acid glucuronide,RBLDVEUUCHVWMW-SXYQVCRBSA-N
HMDB02579,625.346211479,C32H51NO11,[H][C@@]12CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C32H51NO11/c1-15(4-7-22(35)33-14-23(36)37)18-5-6-19-24-20(9-11-32(18,19)3)31(2)10-8-17(12-16(31)13-21(24)34)43-30-27(40)25(38)26(39)28(44-30)29(41)42/h15-21,24-28,30,34,38-40H,4-14H2,1-3H3,(H,33,35)(H,36,37)(H,41,42)/t15-,16+,17-,18?,19+,20+,21-,24+,25+,26+,27-,28+,30-,31+,32-/m1/s1",ABFZMYIIUREPLL,ZWDGUQLWSA,N,Glycochenodeoxycholic acid 3-glucuronide,ABFZMYIIUREPLL-ZWDGUQLWSA-N
HMDB02580,563.258658801,C26H45NO8S2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1",HSNPMXROZIQAQD,GBURMNQMSA,N,Taurolithocholic acid 3-sulfate,HSNPMXROZIQAQD-GBURMNQMSA-N
HMDB02581,595.248488045,C26H45NO10S2,[H][C@]12C[C@@H](O)C3C4CCC([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)[C@@H](O)CC3[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O,"InChI=1S/C26H45NO10S2/c1-15(4-7-23(30)27-10-11-38(31,32)33)18-5-6-19-24-20(14-22(29)26(18,19)3)25(2)9-8-17(37-39(34,35)36)12-16(25)13-21(24)28/h15-22,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32,33)(H,34,35,36)/t15-,16+,17-,18?,19?,20?,21-,22+,24?,25+,26-/m1/s1",LKTXOQJJFLAZRW,XVBIMYNNSA,N,Taurocholic acid 3-sulfate,LKTXOQJJFLAZRW-XVBIMYNNSA-N
HMDB02585,392.292659768,C24H40O4,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,20+,21-,23+,24-/m1/s1",KXGVEGMKQFWNSR,BYGCHKRWSA,N,"3b,12b-Dihydroxy-5b-cholanoic acid",KXGVEGMKQFWNSR-BYGCHKRWSA-N
HMDB02586,472.249474324,C24H40O7S,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",WHMOBEGYTDWMIG,BSWAIDMHSA,N,Chenodeoxycholic acid 3-sulfate,WHMOBEGYTDWMIG-BSWAIDMHSA-N
HMDB02596,568.324747756,C30H48O10,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C30H48O10/c1-14(4-9-22(32)33)18-7-8-19-17-6-5-15-12-16(10-11-29(15,2)20(17)13-21(31)30(18,19)3)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16-,17+,18?,19+,20+,21+,23+,24+,25-,26+,28?,29+,30-/m1/s1",NNEIBJNHWVDJBA,WJQHFXMBSA,N,Deoxycholic acid 3-glucuronide,NNEIBJNHWVDJBA-WJQHFXMBSA-N
HMDB02601,120.042258744,C4H8O4,CC(O)(CO)C(O)=O,"InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)",DGADNPLBVRLJGD,UHFFFAOYSA,N,"A,b-Dihydroxyisobutyric acid",DGADNPLBVRLJGD-UHFFFAOYSA-N
HMDB02639,513.276023425,C26H43NO7S,C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16-,17?,18+,19?,20?,21?,22?,25+,26-/m1/s1",FHXBAFXQVZOILS,JWOIRZCRSA,N,Sulfolithocholylglycine,FHXBAFXQVZOILS-JWOIRZCRSA-N
HMDB02640,545.265852669,C26H43NO9S,[H][C@@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O,"InChI=1S/C26H43NO9S/c1-14(4-7-22(30)27-13-23(31)32)17-5-6-18-24-19(12-21(29)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)36-37(33,34)35/h14-21,24,28-29H,4-13H2,1-3H3,(H,27,30)(H,31,32)(H,33,34,35)/t14-,15+,16-,17-,18?,19?,20-,21+,24?,25+,26-/m1/s1",BJPPZTDOLXZUSK,NLKBZSSJSA,N,"N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine",BJPPZTDOLXZUSK-NLKBZSSJSA-N
HMDB02641,164.047344122,C9H8O3,OC(=O)\C=C\C1=CC=CC=C1O,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+",PMOWTIHVNWZYFI,AATRIKPKSA,N,2-Hydroxycinnamic acid,PMOWTIHVNWZYFI-AATRIKPKSA-N
HMDB02642,472.249474324,C24H40O7S,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)CC2C[C@H](CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15?,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1",WHMOBEGYTDWMIG,ROKSHQGPSA,N,Ursodeoxycholic acid 3-sulfate,WHMOBEGYTDWMIG-ROKSHQGPSA-N
HMDB02643,182.057908808,C9H10O4,OC(CC(O)=O)C1=CC(O)=CC=C1,"InChI=1S/C9H10O4/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8,10-11H,5H2,(H,12,13)",KHTAGVZHYUZYMF,UHFFFAOYSA,N,3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid,KHTAGVZHYUZYMF-UHFFFAOYSA-N
HMDB02644,545.265852669,C26H43NO9S,[H][C@@]12C[C@H](O)CC[C@]1(C)C1C[C@H](OS(O)(=O)=O)[C@]3(C)[C@H](CCC3C1[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O,"InChI=1S/C26H43NO9S/c1-14(4-7-22(30)27-13-23(31)32)17-5-6-18-24-19(12-21(26(17,18)3)36-37(33,34)35)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-29H,4-13H2,1-3H3,(H,27,30)(H,31,32)(H,33,34,35)/t14-,15+,16-,17-,18?,19?,20-,21+,24?,25+,26-/m1/s1",JZLKXIMBAHDSBJ,NLKBZSSJSA,N,"N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine",JZLKXIMBAHDSBJ-NLKBZSSJSA-N
HMDB02649,120.042258744,C4H8O4,O[C@@H]1COC(O)[C@@H]1O,"InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3-,4?/m1/s1",FMAORJIQYMIRHF,HERZVMAMSA,N,Erythrose,FMAORJIQYMIRHF-HERZVMAMSA-N
HMDB02655,316.058302738,C16H12O7,COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",IZQSVPBOUDKVDZ,UHFFFAOYSA,N,Isorhamnetin,IZQSVPBOUDKVDZ-UHFFFAOYSA-N
HMDB02656,336.230059512,C20H32O4,CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1",BGKHCLZFGPIKKU,LDDQNKHRSA,N,Prostaglandin A1,BGKHCLZFGPIKKU-LDDQNKHRSA-N
HMDB02658,139.026943031,C6H5NO3,OC(=O)C1=CN=C(O)C=C1,"InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)",BLHCMGRVFXRYRN,UHFFFAOYSA,N,6-Hydroxynicotinic acid,BLHCMGRVFXRYRN-UHFFFAOYSA-N
HMDB02659,106.90509302,Ag,[Ag+],InChI=1S/Ag/q+1,FOIXSVOLVBLSDH,UHFFFAOYSA,N,Silver,FOIXSVOLVBLSDH-UHFFFAOYSA-N
HMDB02664,350.20932407,C20H30O5,CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1",CBOMORHDRONZRN,QLOYDKTKSA,N,Prostaglandin E3,CBOMORHDRONZRN-QLOYDKTKSA-N
HMDB02666,344.070812254,C12H17N4O4PS,CC1=C(CCO[P@](O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)",HZSAJDVWZRBGIF,UHFFFAOYSA,N,Thiamine monophosphate,HZSAJDVWZRBGIF-UHFFFAOYSA-N
HMDB02670,272.068473494,C15H12O5,[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",FTVWIRXFELQLPI,ZDUSSCGKSA,N,Naringenin,FTVWIRXFELQLPI-ZDUSSCGKSA-N
HMDB02685,356.256274262,C20H36O5,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O,"InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1",DZUXGQBLFALXCR,CDIPTNKSSA,N,Prostaglandin F1a,DZUXGQBLFALXCR-CDIPTNKSSA-N
HMDB02689,356.256274262,C20H36O5,CCCCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O,"InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1",DPOINJQWXDTOSF,DODZYUBVSA,N,"13,14-Dihydro PGE1",DPOINJQWXDTOSF-DODZYUBVSA-N
HMDB02697,276.20893014,C18H28O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(O)CC3CC[C@@]21[H],"InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11?,12?,13-,14+,15+,16-,18-/m0/s1",UOUIARGWRPHDBX,AWLYHSJUSA,N,19-Norandrosterone,UOUIARGWRPHDBX-AWLYHSJUSA-N
HMDB02704,194.042652674,C6H10O7,O[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5+/m1/s1",IAJILQKETJEXLJ,LECHCGJUSA,N,Iduronic acid,IAJILQKETJEXLJ-LECHCGJUSA-N
HMDB02706,176.09094027,C5H12N4O3,N[C@@H](CCONC(N)=N)C(O)=O,"InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1",FSBIGDSBMBYOPN,VKHMYHEASA,N,Canavanine,FSBIGDSBMBYOPN-VKHMYHEASA-N
HMDB02708,322.024415791,C15H11ClO6,[Cl-].OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H",COAWNPJQKJEHPG,UHFFFAOYSA,N,Cyanidin,COAWNPJQKJEHPG-UHFFFAOYSA-N
HMDB02710,334.214409448,C20H30O4,CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O,"InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1",UQOQENZZLBSFKO,POPPZSFYSA,N,Prostaglandin J2,UQOQENZZLBSFKO-POPPZSFYSA-N
HMDB02712,164.068473494,C6H12O5,OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1",MPCAJMNYNOGXPB,SLPGGIOYSA,N,"1,5-Anhydrosorbitol",MPCAJMNYNOGXPB-SLPGGIOYSA-N
HMDB02714,16.031300128,CH4,C,InChI=1S/CH4/h1H4,VNWKTOKETHGBQD,UHFFFAOYSA,N,Methane,VNWKTOKETHGBQD-UHFFFAOYSA-N
HMDB02719,384.33921603,C27H44O,[H][C@@]12CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",AVSXSVCZWQODGV,DPAQBDIFSA,N,Desmosterol,AVSXSVCZWQODGV-DPAQBDIFSA-N
HMDB02720,308.177630012,C21H24O2,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1",BJJXHLWLUDYTGC,ANULTFPQSA,N,Gestrinone,BJJXHLWLUDYTGC-ANULTFPQSA-N
HMDB02721,282.096419578,C11H14N4O5,CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O,"InChI=1S/C11H14N4O5/c1-14-3-13-9-6(10(14)19)12-4-15(9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1",WJNGQIYEQLPJMN,IOSLPCCCSA,N,1-Methylinosine,WJNGQIYEQLPJMN-IOSLPCCCSA-N
HMDB02725,274.193280076,C18H26O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",NPAGDVCDWIYMMC,IZPLOLCNSA,N,Nandrolone,NPAGDVCDWIYMMC-IZPLOLCNSA-N
HMDB02726,342.219494826,C22H30O3,[H][C@@]12CC(=O)\C(=C(/C)OC)[C@@]1(C)CC[C@]1([H])[C@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C22H30O3/c1-13(25-4)20-19(24)12-18-16-6-5-14-11-15(23)7-9-21(14,2)17(16)8-10-22(18,20)3/h11,16-18H,5-10,12H2,1-4H3/b20-13-/t16-,17+,18-,21-,22-/m0/s1",WOVLRQSWILBDQL,IABMEBKLSA,N,Guggulsterone,WOVLRQSWILBDQL-IABMEBKLSA-N
HMDB02728,856.643496081,C15H11I4NO7S,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OS(O)(=O)=O)C(I)=C2)C(I)=C1)C(O)=O,"InChI=1S/C15H11I4NO7S/c16-8-1-6(3-12(20)15(21)22)2-9(17)13(8)26-7-4-10(18)14(11(19)5-7)27-28(23,24)25/h1-2,4-5,12H,3,20H2,(H,21,22)(H,23,24,25)/t12-/m0/s1",QYXIJUZWSSQICT,LBPRGKRZSA,N,Thyroxine sulfate,QYXIJUZWSSQICT-LBPRGKRZSA-N
HMDB02730,138.042927446,C6H6N2O2,NC(=O)C1=C[N+]([O-])=CC=C1,"InChI=1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)",USSFUVKEHXDAPM,UHFFFAOYSA,N,Nicotinamide N-oxide,USSFUVKEHXDAPM-UHFFFAOYSA-N
HMDB02741,658.423339588,C42H58O6,CC(=O)OC1CC(C)(C)C(=C=C\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)CC23OC2(C)CC(O)CC3(C)C)C(C)(O)C1,"InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+",SJWWTRQNNRNTPU,BWRPRJLXSA,N,Fucoxanthin,SJWWTRQNNRNTPU-BWRPRJLXSA-N
HMDB02746,570.4436811,C40H58O2,CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(O)C(C)(O)CCC=C(C)C,"InChI=1S/C40H58O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-30,39,41-42H,13,17,22,31H2,1-10H3/b12-11-,23-14+,24-16+,27-15+,30-29+,34-20+,35-21+,36-25+,37-26+,38-28+",BMVRDJXDSMPZGO,POVXXGCKSA,N,"cis-5,6-Dihydro-5,6-dihydroxy-carotene",BMVRDJXDSMPZGO-POVXXGCKSA-N
HMDB02752,334.214409448,C20H30O4,CCCCC[C@H](O)\C=C\C1C=CC(=O)C1C\C=C\CCCC(O)=O,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4+,14-12+/t16?,17-,18?/m0/s1",MYHXHCUNDDAEOZ,BMVCOECRSA,N,Prostaglandin A2,MYHXHCUNDDAEOZ-BMVCOECRSA-N
HMDB02755,318.037567296,C15H10O8,OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",IKMDFBPHZNJCSN,UHFFFAOYSA,N,Myricetin,IKMDFBPHZNJCSN-UHFFFAOYSA-N
HMDB02757,169.004493029,C3H7NO5S,NC(CS(O)(=O)=O)C(O)=O,"InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)",XVOYSCVBGLVSOL,UHFFFAOYSA,N,Cysteic acid,XVOYSCVBGLVSOL-UHFFFAOYSA-N
HMDB02759,370.18139476,C19H30O5S,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,18-,19-/m0/s1",ZMITXKRGXGRMKS,HLUDHZFRSA,N,Androsterone sulfate,ZMITXKRGXGRMKS-HLUDHZFRSA-N
HMDB02776,352.224974134,C20H32O5,CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1",CUJMXIQZWPZMNQ,XYYGWQPLSA,N,"13,14-Dihydro-15-keto-PGE2",CUJMXIQZWPZMNQ-XYYGWQPLSA-N
HMDB02780,290.07903818,C15H14O6,O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",PFTAWBLQPZVEMU,DZGCQCFKSA,N,Catechin,PFTAWBLQPZVEMU-DZGCQCFKSA-N
HMDB02783,862.195643656,C42H38O20,[H][C@@]1(C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@]1([H])C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O,"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1",IPQVTOJGNYVQEO,AIFLABODSA,N,Sennoside B,IPQVTOJGNYVQEO-AIFLABODSA-N
HMDB02786,45.992903249,NO2,[O-]N=O,"InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1",IOVCWXUNBOPUCH,UHFFFAOYSA,M,Nitrite,IOVCWXUNBOPUCH-UHFFFAOYSA-M
HMDB02789,568.428031043,C40H56O2,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",JKQXZKUSFCKOGQ,QAYBQHTQSA,N,Zeaxanthin,JKQXZKUSFCKOGQ-QAYBQHTQSA-N
HMDB02802,360.193674006,C21H28O5,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",MFYSYFVPBJMHGN,ZPOLXVRWSA,N,Cortisone,MFYSYFVPBJMHGN-ZPOLXVRWSA-N
HMDB02815,521.348139535,C26H52NO7P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1",YAMUFBLWGFFICM,PTGWMXDISA,N,LysoPC(18:1(9Z)),YAMUFBLWGFFICM-PTGWMXDISA-N
HMDB02817,301.056267627,C8H16NO9P,CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1",BRGMHAYQAZFZDJ,PVFLNQBWSA,N,N-Acetylglucosamine 6-phosphate,BRGMHAYQAZFZDJ-PVFLNQBWSA-N
HMDB02818,142.001456562,C4H2N2O4,O=C1NC(=O)C(=O)C(=O)N1,"InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)",HIMXGTXNXJYFGB,UHFFFAOYSA,N,Alloxan,HIMXGTXNXJYFGB-UHFFFAOYSA-N
HMDB02820,140.05857751,C6H8N2O2,CN1C=NC(CC(O)=O)=C1,"InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)",ZHCKPJGJQOPTLB,UHFFFAOYSA,N,Methylimidazoleacetic acid,ZHCKPJGJQOPTLB-UHFFFAOYSA-N
HMDB02823,334.28718046,C22H38O2,CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O,"InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10H,2,5,8,11-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-",WBBQTNCISCKUMU,PDBXOOCHSA,N,Docosatrienoic acid,WBBQTNCISCKUMU-PDBXOOCHSA-N
HMDB02825,180.06472552,C7H8N4O2,CN1C=NC2=C1C(=O)NC(=O)N2C,"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)",YAPQBXQYLJRXSA,UHFFFAOYSA,N,Theobromine,YAPQBXQYLJRXSA-UHFFFAOYSA-N
HMDB02829,466.256668192,C25H38O8,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1",VFUIRAVTUVCQTF,BSOWLZGZSA,N,Androsterone glucuronide,VFUIRAVTUVCQTF-BSOWLZGZSA-N
HMDB02832,183.089543287,C9H13NO3,CC(N)C(O)C1=CC(O)=C(O)C=C1,"InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3",GEFQWZLICWMTKF,UHFFFAOYSA,N,Methylnoradrenaline,GEFQWZLICWMTKF-UHFFFAOYSA-N
HMDB02833,368.165744696,C19H28O5S,[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1",WAQBISPOEAOCOG,DYKIIFRCSA,N,Testosterone sulfate,WAQBISPOEAOCOG-DYKIIFRCSA-N
HMDB02835,337.204179113,C22H27NO2,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3,"InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1",POZRVZJJTULAOH,LHZXLZLDSA,N,Danazol,POZRVZJJTULAOH-LHZXLZLDSA-N
HMDB02845,865.188373307,C27H46N7O17P3S,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22?,26-/m1/s1",OEXFMSFODMQEPE,ZOGSZLKASA,N,Hexanoyl-CoA,OEXFMSFODMQEPE-ZOGSZLKASA-N
HMDB02865,1006.436457016,C43H66N12O12S2,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O,"InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31?,35-/m0/s1",XNOPRXBHLZRZKH,MQYCRUOZSA,N,Oxytocin,XNOPRXBHLZRZKH-MQYCRUOZSA-N
HMDB02869,400.370516158,C28H48O,[H][C@@]12CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1",SGNBVLSWZMBQTH,ZRUUVFCLSA,N,Campesterol,SGNBVLSWZMBQTH-ZRUUVFCLSA-N
HMDB02871,542.485151984,C40H62,CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30-",OVSVTCFNLSGAMM,CSTSADRFSA,N,Phytofluene,OVSVTCFNLSGAMM-CSTSADRFSA-N
HMDB02873,372.150763334,C20H24N2O3S,COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1O,"InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3/t18-,19+/m1/s1",NZHUXMZTSSZXSB,MOPGFXCFSA,N,Deacetyldiltiazem,NZHUXMZTSSZXSB-MOPGFXCFSA-N
HMDB02878,61.987817871,NO3,[O-][N+]([O-])=O,InChI=1S/NO3/c2-1(3)4/q-1,NHNBFGGVMKEFGY,UHFFFAOYSA,N,Nitrate,NHNBFGGVMKEFGY-UHFFFAOYSA-N
HMDB02884,338.318480588,C22H42O2,CCCCCCCCCC\C=C/CCCCCCCCCC(O)=O,"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11-",KJDZDTDNIULJBE,QXMHVHEDSA,N,Cetoleic acid,KJDZDTDNIULJBE-QXMHVHEDSA-N
HMDB02886,370.23553882,C20H34O6,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O,"InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1",KFGOFTHODYBSGM,ZUNNJUQCSA,N,6-Keto-prostaglandin F1a,KFGOFTHODYBSGM-ZUNNJUQCSA-N
HMDB02890,550.41746635,C40H54O,C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC=CC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-27,36-37,41H,28-29H2,1-10H3/b12-11-,18-13+,19-14+,25-23+,26-24+,30-16-,31-17+,32-20+,33-21+",HBHHQQIZEXNSHZ,KYFZIPCGSA,N,"3-cis-Hydroxy-b,e-Caroten-3'-one",HBHHQQIZEXNSHZ-KYFZIPCGSA-N
HMDB02894,125.058911861,C5H7N3O,CC1=C(N)NC(=O)N=C1,"InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)",LRSASMSXMSNRBT,UHFFFAOYSA,N,5-Methylcytosine,LRSASMSXMSNRBT-UHFFFAOYSA-N
HMDB02895,538.089996796,C30H18O10,[H][C@@]1(C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@]1([H])C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O,"InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22+",JPMRHWLJLNKRTJ,SZPZYZBQSA,N,Sennidin B,JPMRHWLJLNKRTJ-SZPZYZBQSA-N
HMDB02899,302.006267153,C14H6O8,OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2,"InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H",AFSDNFLWKVMVRB,UHFFFAOYSA,N,Ellagic acid,AFSDNFLWKVMVRB-UHFFFAOYSA-N
HMDB02902,402.349780716,C27H46O2,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=CC(O)=C2,"InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1",GZIFEOYASATJEH,VHFRWLAGSA,N,Delta-Tocopherol,GZIFEOYASATJEH-VHFRWLAGSA-N
HMDB02904,342.204238692,C18H30O6,CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CC(O)=O,"InChI=1S/C18H30O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h5-6,10-11,13-16,18-20,23H,2-4,7-9,12H2,1H3,(H,21,22)/b6-5-,11-10+/t13-,14-,15-,16+,18?/m0/s1",RJHNVFKNIJQTQF,LMIBIYGPSA,N,"2,3-Dinor-TXB2",RJHNVFKNIJQTQF-LMIBIYGPSA-N
HMDB02916,155.021857653,C6H5NO4,OC1=CC=C(C=C1O)[N+]([O-])=O,"InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H",XJNPNXSISMKQEX,UHFFFAOYSA,N,4-Nitrocatechol,XJNPNXSISMKQEX-UHFFFAOYSA-N
HMDB02917,152.068473494,C5H12O5,OC[C@H](O)C(O)[C@H](O)CO,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?",HEBKCHPVOIAQTA,NGQZWQHPSA,N,D-Xylitol,HEBKCHPVOIAQTA-NGQZWQHPSA-N
HMDB02923,342.116211546,C12H22O11,OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1",DLRVVLDZNNYCBX,RTPHMHGBSA,N,Isomaltose,DLRVVLDZNNYCBX-RTPHMHGBSA-N
HMDB02925,306.255880332,C20H34O2,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-",HOBAELRKJCKHQD,QNEBEIHSSA,N,"8,11,14-Eicosatrienoic acid",HOBAELRKJCKHQD-QNEBEIHSSA-N
HMDB02927,580.179205732,C27H32O14,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",DFPMSGMNTNDNHN,ZPHOTFPESA,N,Naringin,DFPMSGMNTNDNHN-ZPHOTFPESA-N
HMDB02928,344.13186161,C12H24O11,[H][C@@](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)CO,"InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1",VQHSOMBJVWLPSR,WUJBLJFYSA,N,Maltitol,VQHSOMBJVWLPSR-WUJBLJFYSA-N
HMDB02931,147.053157781,C5H9NO4,CC(=O)N[C@@H](CO)C(O)=O,"InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1",JJIHLJJYMXLCOY,BYPYZUCNSA,N,N-Acetylserine,JJIHLJJYMXLCOY-BYPYZUCNSA-N
HMDB02935,536.438201792,C40H56,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11-,19-13+,20-14+,27-25+,28-26+,31-17-,32-18+,33-21+,34-22+",OENHQHLEOONYIE,KBPBZLIPSA,N,"cis-b,b-Carotene",OENHQHLEOONYIE-KBPBZLIPSA-N
HMDB02936,542.485151984,C40H62,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",OVSVTCFNLSGAMM,DGFSHVNOSA,N,"cis-7,7',8,8',11,12-Hexahydro-Carotene",OVSVTCFNLSGAMM-DGFSHVNOSA-N
HMDB02937,318.073952802,C16H14O7,COC1=C(O)C=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O,"InChI=1S/C16H14O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3",KQNGHARGJDXHKF,UHFFFAOYSA,N,Tamarixetin,KQNGHARGJDXHKF-UHFFFAOYSA-N
HMDB02939,100.088815006,C6H12O,CC(C)CC(C)=O,"InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3",NTIZESTWPVYFNL,UHFFFAOYSA,N,Methyl isobutyl ketone,NTIZESTWPVYFNL-UHFFFAOYSA-N
HMDB02950,568.428031036,C40H56O2,O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/[C@@H]2C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+/t35-,36+,37+/m0/s1",KBPHJBAIARWVSC,OBXOTRKLSA,N,"(3R,3'R,6'R,9'-cis)-b,e-Carotene-3,3'-diol",KBPHJBAIARWVSC-OBXOTRKLSA-N
HMDB02961,290.224580204,C19H30O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",NVKAWKQGWWIWPM,ABEVXSGRSA,N,Dihydrotestosterone,NVKAWKQGWWIWPM-ABEVXSGRSA-N
HMDB02972,466.344695338,C31H46O3,CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC12OC1(C)C(=O)C1=CC=CC=C1C2=O,"InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3",KUTXFBIHPWIDJQ,UHFFFAOYSA,N,"Vitamin K1 2,3-epoxide",KUTXFBIHPWIDJQ-UHFFFAOYSA-N
HMDB02982,336.230059512,C20H32O4,CCCCC[C@H](O)\C=C\C1=C(CCCCCCC(O)=O)C(=O)CC1,"InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1",YBHMPNRDOVPQIN,VSOYFRJCSA,N,Prostaglandin B1,YBHMPNRDOVPQIN-VSOYFRJCSA-N
HMDB02984,306.219494826,C19H30O3,[H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,17+,18-,19-/m0/s1",PIXFHVWJOVNKQK,PTXZMSDUSA,N,11-Hydroxyandrosterone,PIXFHVWJOVNKQK-PTXZMSDUSA-N
HMDB02985,260.029718526,C6H13O9P,O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m1/s1",INAPMGSXUVUWAF,XCMZKKERSA,N,Inositol phosphate,INAPMGSXUVUWAF-XCMZKKERSA-N
HMDB02991,77.029919919,C2H7NS,NCCS,"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2",UFULAYFCSOUIOV,UHFFFAOYSA,N,Cysteamine,UFULAYFCSOUIOV-UHFFFAOYSA-N
HMDB02992,891.204023371,C29H48N7O17P3S,CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)",CPSDNAXXKWVYIY,UHFFFAOYSA,N,S-2-Octenoyl CoA,CPSDNAXXKWVYIY-UHFFFAOYSA-N
HMDB02994,122.057908808,C4H10O4,OC[C@H](O)[C@H](O)CO,"InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+",UNXHWFMMPAWVPI,ZXZARUISSA,N,Erythritol,UNXHWFMMPAWVPI-ZXZARUISSA-N
HMDB02995,338.245709576,C20H34O4,CCCCCCCCC(=O)CC\C=C\C=C/[C@@H](O)CCCC(O)=O,"InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,11,15,19,22H,2-6,9-10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,15-11-/t19-/m1/s1",RRTYEHFGQWNQKK,KIQAWMAPSA,N,12-Keto-tetrahydro-leukotriene B4,RRTYEHFGQWNQKK-KIQAWMAPSA-N
HMDB03000,536.438201803,C40H56,CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C,"InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",OAIJSZIZWZSQBC,GYZMGTAESA,N,Lycopene,OAIJSZIZWZSQBC-GYZMGTAESA-N
HMDB03011,147.053157781,C5H9NO4,CC(=O)OC[C@H](N)C(O)=O,"InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1",VZXPDPZARILFQX,BYPYZUCNSA,N,O-Acetylserine,VZXPDPZARILFQX-BYPYZUCNSA-N
HMDB03012,93.057849229,C6H7N,NC1=CC=CC=C1,"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",PAYRUJLWNCNPSJ,UHFFFAOYSA,N,Aniline,PAYRUJLWNCNPSJ-UHFFFAOYSA-N
HMDB03020,600.417860283,C40H56O4,[H]O[C@]1([H])C([H])([H])[C@]2(O[C@@]2(\C([H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C([H])=C=C2[C@@](O[H])(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H])C([H])([H])[H],"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1",PGYAYSRVSAJXTE,CLONMANBSA,N,Neoxanthin,PGYAYSRVSAJXTE-CLONMANBSA-N
HMDB03023,722.444027554,C40H68O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\[C@@H]1[C@@H](COP(=O)(O)OP(O)(O)=O)[C@]1(C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40-/m1/s1",RVCNKTPCHZNAAO,UZDKSQMHSA,N,Prephytoene diphosphate,RVCNKTPCHZNAAO-UZDKSQMHSA-N
HMDB03033,340.203844762,C22H28O3,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,"InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1",UJVLDDZCTMKXJK,WNHSNXHDSA,N,Canrenone,UJVLDDZCTMKXJK-WNHSNXHDSA-N
HMDB03034,350.20932407,C20H30O5,CC\C=C/C[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1",ANOICLBSJIMQTA,WXGBOJPQSA,N,Prostaglandin D3,ANOICLBSJIMQTA-WXGBOJPQSA-N
HMDB03036,730.746852693,C15H12I3NO7S,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OS(O)(=O)=O)C=C2)C(I)=C1)C(O)=O,"InChI=1S/C15H12I3NO7S/c16-9-6-8(1-2-13(9)26-27(22,23)24)25-14-10(17)3-7(4-11(14)18)5-12(19)15(20)21/h1-4,6,12H,5,19H2,(H,20,21)(H,22,23,24)/t12-/m0/s1",XBQYQXVJBNDCGY,LBPRGKRZSA,N,Triiodothyronine sulfate,XBQYQXVJBNDCGY-LBPRGKRZSA-N
HMDB03039,326.188194698,C21H26O3,COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C/C(O)=O)C(C)=C1,"InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12-",IHUNBGSDBOWDMA,UGOGCBOOSA,N,Isoacitretin,IHUNBGSDBOWDMA-UGOGCBOOSA-N
HMDB03040,268.080769514,C10H12N4O5,OC[C@H]1OC([C@@H](O)[C@@H]1O)N1C=NC2=C1NC=NC2=O,"InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7+,10?/m1/s1",UGQMRVRMYYASKQ,KBNQYOMWSA,N,Arabinosylhypoxanthine,UGQMRVRMYYASKQ-KBNQYOMWSA-N
HMDB03045,229.088497429,C9H15N3O2S,C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C([O-])=O,"InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1",SSISHJJTAXXQAX,ZETCQYMHSA,N,Ergothioneine,SSISHJJTAXXQAX-ZETCQYMHSA-N
HMDB03052,74.036779436,C3H6O2,C[C@H](O)C=O,"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1",BSABBBMNWQWLLU,VKHMYHEASA,N,Lactaldehyde,BSABBBMNWQWLLU-VKHMYHEASA-N
HMDB03063,540.46950192,C40H60,CC(C)=CCC\C(C)=C\CC\C(C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-",BIWLELKAFXRPDE,ZURBLSRNSA,N,"(9-cis,9'-cis)-7,7',8,8'-Tetrahydro-y,y-Carotene",BIWLELKAFXRPDE-ZURBLSRNSA-N
HMDB03066,208.088815006,C15H12O,O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+,DQFBYFPFKXHELB,VAWYXSNFSA,N,Chalcone,DQFBYFPFKXHELB-VAWYXSNFSA-N
HMDB03069,316.240230268,C21H32O2,[H][C@@]12CC[C@H]([C@@H](C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1",RWBRUCCWZPSBFC,SJOKZOANSA,N,20a-Dihydroprogesterone,RWBRUCCWZPSBFC-SJOKZOANSA-N
HMDB03070,174.05282343,C7H10O5,O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1",JXOHGGNKMLTUBP,HSUXUTPPSA,N,Shikimic acid,JXOHGGNKMLTUBP-HSUXUTPPSA-N
HMDB03071,572.459331164,C40H60O2,CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)CCC(O)C(C)(O)CCC=C(C)C,"InChI=1S/C40H60O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-28,39,41-42H,13,17,22,29-31H2,1-10H3/b12-11+,23-14+,24-16+,27-15+,34-20+,35-21+,36-25+,37-26+,38-28+",SAQBOLDBFLXXPW,MRGSADCMSA,N,"5,6-Dihydro-5,6-dihydroxy-y,y-carotene",SAQBOLDBFLXXPW-MRGSADCMSA-N
HMDB03072,192.063388116,C7H12O6,OC1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4?,5-,7+/m1/s1",AAWZDTNXLSGCEK,RKGSPJAZSA,N,Quinic acid,AAWZDTNXLSGCEK-RKGSPJAZSA-N
HMDB03073,278.224580204,C18H30O2,CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",VZCCETWTMQHEPK,QNEBEIHSSA,N,Gamma-Linolenic acid,VZCCETWTMQHEPK-QNEBEIHSSA-N
HMDB03074,338.019330413,C15H11ClO7,[Cl-].OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H",FFNDMZIBVDSQFI,UHFFFAOYSA,N,Delphinidin,FFNDMZIBVDSQFI-UHFFFAOYSA-N
HMDB03075,222.068079564,C15H10O2,O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,VHBFFQKBGNRLFZ,UHFFFAOYSA,N,Flavone,VHBFFQKBGNRLFZ-UHFFFAOYSA-N
HMDB03080,496.260707712,C25H40N2O6S,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SCC(N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20?,21-,22+/m0/s1",YEESKJGWJFYOOK,LDDGIIIKSA,N,Leukotriene D4,YEESKJGWJFYOOK-LDDGIIIKSA-N
HMDB03081,164.068473494,C6H12O5,C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1",SHZGCJCMOBCMKK,FPRJBGLDSA,N,Beta-D-Fucose,SHZGCJCMOBCMKK-FPRJBGLDSA-N
HMDB03099,182.043990078,C6H6N4O3,CN1C(=O)NC2=C(NC(=O)N2)C1=O,"InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)",QFDRTQONISXGJA,UHFFFAOYSA,N,1-Methyluric acid,QFDRTQONISXGJA-UHFFFAOYSA-N
HMDB03101,600.41786028,C40H56O4,OC1C[C@@]2(C)O[C@]2(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]23O[C@]2(C)CC(O)CC3(C)C)C(C)(C)C1,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33?,34?,37-,38-,39-,40+/m1/s1",SZCBXWMUOPQSOX,LOIAFDEVSA,N,Violaxanthin,SZCBXWMUOPQSOX-LOIAFDEVSA-N
HMDB03112,568.428031036,C40H56O2,O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C1,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15-,30-16-,31-19+,32-20+/t35-,36-/m1/s1",JKQXZKUSFCKOGQ,VGCBESEKSA,N,"(3R,3'R,13-cis)-b,b-Carotene-3,3'-diol",JKQXZKUSFCKOGQ-VGCBESEKSA-N
HMDB03114,538.453851856,C40H58,CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C,"InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",ATCICVFRSJQYDV,XILUKMICSA,N,Neurosporene,ATCICVFRSJQYDV-XILUKMICSA-N
HMDB03116,328.251463656,C21H32N2O,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NNC=C3C[C@]12C,"InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1",LKAJKIOFIWVMDJ,IYRCEVNGSA,N,Stanozolol,LKAJKIOFIWVMDJ-IYRCEVNGSA-N
HMDB03119,108.057514878,C7H8O,OCC1=CC=CC=C1,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",WVDDGKGOMKODPV,UHFFFAOYSA,N,Benzyl alcohol,WVDDGKGOMKODPV-UHFFFAOYSA-N
HMDB03125,34.005479308,H2O2,OO,InChI=1S/H2O2/c1-2/h1-2H,MHAJPDPJQMAIIY,UHFFFAOYSA,N,Hydrogen peroxide,MHAJPDPJQMAIIY-UHFFFAOYSA-N
HMDB03128,366.240624198,C21H34O5,[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17+,18-,19+,20+,21+/m1/s1",JXCOSKURGJMQSG,AZQJGLEESA,N,Cortolone,JXCOSKURGJMQSG-AZQJGLEESA-N
HMDB03134,372.183126094,C16H28N4O4S,[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2,"InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1",BAQMYDQNMFBZNA,MNXVOIDGSA,N,Biocytin,BAQMYDQNMFBZNA-MNXVOIDGSA-N
HMDB03141,476.241018128,C26H36O8,O[C@@H]1[C@@H](O)[C@@H](O[C@H](C(O)=O)[C@H]1O)OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1",MTGFYEHKPMOVNE,NEFMKCFNSA,N,Retinoyl b-glucuronide,MTGFYEHKPMOVNE-NEFMKCFNSA-N
HMDB03146,568.428031036,C40H56O2,C/C(/C=C/C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+/t35-,36-/m1/s1",JKQXZKUSFCKOGQ,IOAZSAMTSA,N,"(3R,3'R,9-cis)-b,b-Carotene-3,3'-diol",JKQXZKUSFCKOGQ-IOAZSAMTSA-N
HMDB03148,175.095691297,C6H13N3O3,NC(=N)NCCC[C@H](O)C(O)=O,"InChI=1S/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)/t4-/m0/s1",BMFMQGXDDJALKQ,BYPYZUCNSA,N,Argininic acid,BMFMQGXDDJALKQ-BYPYZUCNSA-N
HMDB03152,136.063662888,C7H8N2O,CNC(=O)C1=CN=CC=C1,"InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)",ZYVXHFWBYUDDBM,UHFFFAOYSA,N,N-Methylnicotinamide,ZYVXHFWBYUDDBM-UHFFFAOYSA-N
HMDB03153,458.084911418,C22H18O11,OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",WMBWREPUVVBILR,WIYYLYMNSA,N,Epigallocatechin gallate,WMBWREPUVVBILR-WIYYLYMNSA-N
HMDB03154,564.396730914,C40H52O2,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",FDSDTBUPSURDBL,DKLMTRRASA,N,Canthaxanthin,FDSDTBUPSURDBL-DKLMTRRASA-N
HMDB03156,90.068079564,C4H10O2,CC(O)C(C)O,"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3",OWBTYPJTUOEWEK,UHFFFAOYSA,N,"2,3-Butanediol",OWBTYPJTUOEWEK-UHFFFAOYSA-N
HMDB03157,175.059305791,C5H9N3O4,NC(=N)N[C@@H](CC(O)=O)C(O)=O,"InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/t2-/m0/s1",VVHOUVWJCQOYGG,REOHCLBHSA,N,Guanidinosuccinic acid,VVHOUVWJCQOYGG-REOHCLBHSA-N
HMDB03162,150.054160834,C6H6N4O,CN1C=NC2=C1C(=O)N=CN2,"InChI=1S/C6H6N4O/c1-10-3-9-5-4(10)6(11)8-2-7-5/h2-3H,1H3,(H,7,8,11)",CBQMKYHLDADRLN,UHFFFAOYSA,N,7-Methylhypoxanthine,CBQMKYHLDADRLN-UHFFFAOYSA-N
HMDB03164,354.095082174,C16H18O9,O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",CWVRJTMFETXNAD,JUHZACGLSA,N,Chlorogenic acid,CWVRJTMFETXNAD-JUHZACGLSA-N
HMDB03166,344.246378278,C21H32N2O2,[H][C@@]12C[C@H](O)[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=C(C[C@]12C)C=NN3,"InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)8-13(19)4-5-14-15(19)6-7-20(2)16(14)9-18(24)21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15-,16-,18-,19-,20-,21-/m0/s1",IZGBPAAEPVNBGA,BWPSUJIGSA,N,16b-Hydroxystanozolol,IZGBPAAEPVNBGA-BWPSUJIGSA-N
HMDB03173,352.034980477,C16H13ClO7,[Cl-].COC1=CC(=CC(O)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O,"InChI=1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H",QULMBDNPZCFSPR,UHFFFAOYSA,N,Petunidin,QULMBDNPZCFSPR-UHFFFAOYSA-N
HMDB03175,350.20932407,C20H30O5,CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1",YRTJDWROBKPZNV,KMXMBPPJSA,N,15-Keto-prostaglandin E2,YRTJDWROBKPZNV-KMXMBPPJSA-N
HMDB03178,616.177297665,C34H32FeN4O4,CC1=C(CCC(O)=O)C2=CC3=[N+]4C(=CC5=C(C=C)C(C)=C6C=C7C(C=C)=C(C)C8=[N+]7[Fe@]4(N2C1=C8)N56)C(C)=C3CCC(O)=O,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+4/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",YHLKGEDAGPGZPN,RGGAHWMASA,L,Heme,YHLKGEDAGPGZPN-RGGAHWMASA-L
HMDB03180,368.256274262,C21H36O5,[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1",FFPUNPBUZDTHJI,XPOJVAQCSA,N,Cortol,FFPUNPBUZDTHJI-XPOJVAQCSA-N
HMDB03192,126.054160834,C4H6N4O,NC(=O)C1=C(N)N=CN1,"InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)",DVNYTAVYBRSTGK,UHFFFAOYSA,N,5-Aminoimidazole-4-carboxamide,DVNYTAVYBRSTGK-UHFFFAOYSA-N
HMDB03193,464.241018128,C25H36O8,[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1",NIKZPECGCSUSBV,HMAFJQTKSA,N,Testosterone glucuronide,NIKZPECGCSUSBV-HMAFJQTKSA-N
HMDB03201,366.050630541,C17H15ClO7,[Cl-].COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O,"InChI=1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7H,1-2H3,(H3-,18,19,20,21);1H",KQIKOUUKQBTQBE,UHFFFAOYSA,N,Malvidin,KQIKOUUKQBTQBE-UHFFFAOYSA-N
HMDB03208,296.307915902,C20H40O,CCCCCCCC[C@H]1OCCC[C@@H]1CCCCCCC,"InChI=1S/C20H40O/c1-3-5-7-9-11-13-17-20-19(16-14-18-21-20)15-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20+/m0/s1",RZWIIPASKMUIAC,VQTJNVASSA,N,Thromboxane,RZWIIPASKMUIAC-VQTJNVASSA-N
HMDB03213,504.169034976,C18H32O16,OC[C@H]1O[C@@](CO)(OC2O[C@H](COC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1",MUPFEKGTMRGPLJ,BQCSWRFHSA,N,Raffinose,MUPFEKGTMRGPLJ-BQCSWRFHSA-N
HMDB03217,270.052823422,C15H10O5,OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H",TZBJGXHYKVUXJN,UHFFFAOYSA,N,Genistein,TZBJGXHYKVUXJN-UHFFFAOYSA-N
HMDB03218,470.266838948,C28H38O6,[H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](C)(O)[C@@]5([H])CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@H](O)C13O2,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28?/m0/s1",SASUFNRGCZMRFD,LYOLWDNZSA,N,Withanolide,SASUFNRGCZMRFD-LYOLWDNZSA-N
HMDB03219,210.073952802,C7H14O7,OCC(O)C(O)C(O)C(O)C(=O)CO,"InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2",HSNZZMHEPUFJNZ,UHFFFAOYSA,N,Sedoheptulose,HSNZZMHEPUFJNZ-UHFFFAOYSA-N
HMDB03224,134.057908808,C5H10O4,OC[C@@H]1O[C@H](O)C[C@H]1O,"InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m1/s1",PDWIQYODPROSQH,WISUUJSJSA,N,Deoxyribose,PDWIQYODPROSQH-WISUUJSJSA-N
HMDB03227,48.003370818,CH4S,CS,"InChI=1S/CH4S/c1-2/h2H,1H3",LSDPWZHWYPCBBB,UHFFFAOYSA,N,Methanethiol,LSDPWZHWYPCBBB-UHFFFAOYSA-N
HMDB03229,254.224580204,C16H30O2,CCCCCC\C=C/CCCCCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",SECPZKHBENQXJG,FPLPWBNLSA,N,Palmitoleic acid,SECPZKHBENQXJG-FPLPWBNLSA-N
HMDB03231,282.255880332,C18H34O2,CCCCCC\C=C/CCCCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-",UWHZIFQPPBDJPM,FPLPWBNLSA,N,Vaccenic acid,UWHZIFQPPBDJPM-FPLPWBNLSA-N
HMDB03233,568.428031036,C40H56O2,O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(C)=CC(O)CC2(C)C)C(C)(C)C1,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35?,36-,37+/m1/s1",KBPHJBAIARWVSC,RTIVXWJOSA,N,Lutein,KBPHJBAIARWVSC-RTIVXWJOSA-N
HMDB03235,368.219888756,C20H32O6,[H][C@@](CCCCC)(OO)\C=C\[C@@]1([H])[C@@]2([H])C[C@]([H])(OO2)[C@]1([H])C\C=C/CCCC(O)=O,"InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",SGUKUZOVHSFKPH,YNNPMVKQSA,N,Prostaglandin G2,SGUKUZOVHSFKPH-YNNPMVKQSA-N
HMDB03236,397.334465003,C27H43NO,[H][C@]12CC[C@H](C)CN1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C,"InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1",JVKYZPBMZPJNAJ,OQFNDJACSA,N,Solanidine,JVKYZPBMZPJNAJ-OQFNDJACSA-N
HMDB03240,568.428031036,C40H56O2,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15-,30-16+,31-19+,32-20+/t35-,36-/m1/s1",JKQXZKUSFCKOGQ,PWPFSTEPSA,N,"(3R,3'R,15-cis)-b,b-Carotene-3,3'-diol",JKQXZKUSFCKOGQ-PWPFSTEPSA-N
HMDB03243,88.0524295,C4H8O2,CC(O)C(C)=O,"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3",ROWKJAVDOGWPAT,UHFFFAOYSA,N,Acetoin,ROWKJAVDOGWPAT-UHFFFAOYSA-N
HMDB03247,368.219888756,C20H32O6,OCCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-17,19,21-22,24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,19+/m0/s1",AZIGEYVZEVXWAD,NZGURKHLSA,N,20-Hydroxy-PGE2,AZIGEYVZEVXWAD-NZGURKHLSA-N
HMDB03249,610.153384912,C27H30O16,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",IKGXIBQEEMLURG,NVPNHPEKSA,N,Rutin,IKGXIBQEEMLURG-NVPNHPEKSA-N
HMDB03252,370.23553882,C20H34O6,CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1",XNRNNGPBEPRNAR,JQBLCGNGSA,N,Thromboxane B2,XNRNNGPBEPRNAR-JQBLCGNGSA-N
HMDB03254,251.100501903,C9H17NO7,C[C@@H](O[C@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O,"InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7+,9-/m1/s1",MSFSPUZXLOGKHJ,LEISLEKSSA,N,Muramic acid,MSFSPUZXLOGKHJ-LEISLEKSSA-N
HMDB03255,828.274681836,C30H52O26,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C30H52O26/c31-1-6-11(35)13(37)19(43)28(50-6)55-24-9(4-34)52-27(21(45)16(24)40)48-5-10-25(56-29-20(44)14(38)12(36)7(2-32)51-29)17(41)22(46)30(53-10)54-23-8(3-33)49-26(47)18(42)15(23)39/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-/m1/s1",WMGFVAGNIYUEEP,WUYNJSITSA,N,Amylopectin,WMGFVAGNIYUEEP-WUYNJSITSA-N
HMDB03259,364.224974134,C21H32O5,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1",ACSFOIGNUQUIGE,AIPUTVCKSA,N,Dihydrocortisol,ACSFOIGNUQUIGE-AIPUTVCKSA-N
HMDB03263,306.029501169,C15H11ClO5,[Cl-].OC1=CC=C(C=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O,"InChI=1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H",YPVZJXMTXCOTJN,UHFFFAOYSA,N,Pelargonidin,YPVZJXMTXCOTJN-UHFFFAOYSA-N
HMDB03265,610.189770418,C28H34O15,COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(OC1O[C@H](CO[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O)C=C2O,"InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21+,22-,23+,24-,25+,26+,27-,28?/m0/s1",QUQPHWDTPGMPEX,UNZJSITISA,N,Hesperidin,QUQPHWDTPGMPEX-UNZJSITISA-N
HMDB03269,180.053492132,C8H8N2O3,OC(=O)CNC(=O)C1=CN=CC=C1,"InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)",ZBSGKPYXQINNGF,UHFFFAOYSA,N,Nicotinuric acid,ZBSGKPYXQINNGF-UHFFFAOYSA-N
HMDB03276,33.987720754,H2S,S,InChI=1S/H2S/h1H2,RWSOTUBLDIXVET,UHFFFAOYSA,N,Hydrogen sulfide,RWSOTUBLDIXVET-UHFFFAOYSA-N
HMDB03282,165.065059871,C6H7N5O,CN1C(N)=NC2=C(NC=N2)C1=O,"InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)",RFLVMTUMFYRZCB,UHFFFAOYSA,N,1-Methylguanine,RFLVMTUMFYRZCB-UHFFFAOYSA-N
HMDB03288,168.964200301,C3H7NO2Se,N[C@@H](C[SeH])C(O)=O,"InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",ZKZBPNGNEQAJSX,REOHCLBHSA,N,Selenocysteine,ZKZBPNGNEQAJSX-REOHCLBHSA-N
HMDB03290,196.058302738,C6H12O7,OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)=O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m1/s1",RGHNJXZEOKUKBD,KKQCNMDGSA,N,Gulonic acid,RGHNJXZEOKUKBD-KKQCNMDGSA-N
HMDB03306,274.084123558,C15H14O5,OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",VGEREEWJJVICBM,UHFFFAOYSA,N,Phloretin,VGEREEWJJVICBM-UHFFFAOYSA-N
HMDB03312,254.057908802,C15H10O4,OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H",ZQSIJRDFPHDXIC,UHFFFAOYSA,N,Daidzein,ZQSIJRDFPHDXIC-UHFFFAOYSA-N
HMDB03315,98.073164942,C6H10O,O=C1CCCCC1,InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2,JHIVVAPYMSGYDF,UHFFFAOYSA,N,Cyclohexanone,JHIVVAPYMSGYDF-UHFFFAOYSA-N
HMDB03318,344.246378278,C21H32N2O2,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])[C@@H](O)C3=C(C[C@]12C)C=NN3,"InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)18(24)16(19)5-4-13-14(19)6-8-20(2)15(13)7-9-21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20+,21+/m1/s1",OCUSYXNRARMJHS,SUVJOWDWSA,N,4b-Hydroxystanozolol,OCUSYXNRARMJHS-SUVJOWDWSA-N
HMDB03320,161.047678473,C9H7NO2,OC(=O)C1=CNC2=CC=CC=C12,"InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",KMAKOBLIOCQGJP,UHFFFAOYSA,N,Indole-3-carboxylic acid,KMAKOBLIOCQGJP-UHFFFAOYSA-N
HMDB03323,465.189985611,C25H27N3O6,CC1=C(CCC(O)=O)\C(NC1=O)=C/C1=C(CCC(O)=O)C(C)=C(N1)\C=C1\NC(=O)C(C)=C1C=C,"InChI=1S/C25H27N3O6/c1-5-15-13(3)24(33)27-19(15)10-18-12(2)16(6-8-22(29)30)20(26-18)11-21-17(7-9-23(31)32)14(4)25(34)28-21/h5,10-11,26H,1,6-9H2,2-4H3,(H,27,33)(H,28,34)(H,29,30)(H,31,32)/b19-10+,21-11+",DXWHHYOVLWSVQD,WOEXBRBNSA,N,Biotripyrrin-a,DXWHHYOVLWSVQD-WOEXBRBNSA-N
HMDB03324,465.189985611,C25H27N3O6,CC1=C(CCC(O)=O)\C(NC1=O)=C/C1=C(CCC(O)=O)C(C)=C(N1)\C=C1\NC(=O)C(C=C)=C1C,"InChI=1S/C25H27N3O6/c1-5-15-12(2)19(27-25(15)34)10-18-13(3)16(6-8-22(29)30)20(26-18)11-21-17(7-9-23(31)32)14(4)24(33)28-21/h5,10-11,26H,1,6-9H2,2-4H3,(H,27,34)(H,28,33)(H,29,30)(H,31,32)/b19-10+,21-11+",PMIYFUGIVLGYIZ,WOEXBRBNSA,N,Biotripyrrin-b,PMIYFUGIVLGYIZ-WOEXBRBNSA-N
HMDB03325,936.32766088,C45H52N4O18,CC1=C(C=C)\C(NC1=O)=C/C1=C(C)C(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C(CC2=C(CCC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(C)=C(N2)\C=C2\NC(=O)C(C=C)=C2C)N1,"InChI=1S/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50)64-44-36(56)32(52)34(54)38(66-44)42(60)61/h7-8,13-14,32-39,44-47,52-57H,1-2,9-12,15H2,3-6H3,(H,48,59)(H,49,58)(H,60,61)(H,62,63)/b26-13+,27-14+/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1",SCJLWMXOOYZBTH,SDXZDYKGSA,N,Bilirubin diglucuronide,SCJLWMXOOYZBTH-SDXZDYKGSA-N
HMDB03327,846.22319581,C40H38N4O17,OC(C(O)=O)C1=C2NC(\C=C3/N=C(/C=C4\N=C(\C=C5/N\C(=C/2)C(CCC(O)=O)=C5CC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CCC(O)=O,"InChI=1S/C40H38N4O17/c45-31(46)5-1-16-20(9-35(53)54)27-13-26-19(4-8-34(51)52)38(39(59)40(60)61)30(44-26)15-25-18(3-7-33(49)50)22(11-37(57)58)29(43-25)14-28-21(10-36(55)56)17(2-6-32(47)48)24(42-28)12-23(16)41-27/h12-15,39,43-44,59H,1-11H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,60,61)/b23-12-,24-12-,25-15-,26-13-,27-13-,28-14-,29-14-,30-15-",YJTWTRZGXOUSMM,FMHKYKDHSA,N,Mesohydroxy uroporphyrin III,YJTWTRZGXOUSMM-FMHKYKDHSA-N
HMDB03329,846.22319581,C40H38N4O17,OC(CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CC(O)=O)=C5CCC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CC(O)=O)C(O)=O,"InChI=1S/C40H38N4O17/c45-32(40(60)61)7-19-23(11-39(58)59)31-15-30-21(9-37(54)55)17(2-5-34(48)49)25(42-30)12-24-16(1-4-33(46)47)20(8-36(52)53)28(41-24)13-26-18(3-6-35(50)51)22(10-38(56)57)29(43-26)14-27(19)44-31/h12-15,32,41,44-45H,1-11H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-",JMSQGKJFJCWMLX,PUBUSIHGSA,N,Hydroxyacetic acid uroporphyrin III,JMSQGKJFJCWMLX-PUBUSIHGSA-N
HMDB03330,846.22319581,C40H38N4O17,OOC(=O)CCC1=C(CC(O)=O)\C2=C\C3=C(CC(O)=O)C(CCC(O)=O)=C(N3)\C=C3/N=C(/C=C4\N\C(=C/C1=N2)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O,"InChI=1S/C40H38N4O17/c45-33(46)5-1-17-21(9-36(51)52)29-14-27-18(2-6-34(47)48)22(10-37(53)54)30(43-27)15-28-19(3-7-35(49)50)23(11-38(55)56)31(44-28)16-32-24(12-39(57)58)20(4-8-40(59)61-60)26(42-32)13-25(17)41-29/h13-16,41,44,60H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",LSLPFWLVSBAOHZ,UJJXFSCMSA,N,Peroxyacetic acid uroporphyrin III,LSLPFWLVSBAOHZ-UJJXFSCMSA-N
HMDB03331,281.112403993,C11H15N5O4,CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N,"InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1",GFYLSDSUCHVORB,IOSLPCCCSA,N,1-Methyladenosine,GFYLSDSUCHVORB-IOSLPCCCSA-N
HMDB03332,264.030373428,C9H12O7S,COC1=C(O)C=CC(=C1)C(CO)OS(O)(=O)=O,"InChI=1S/C9H12O7S/c1-15-8-4-6(2-3-7(8)11)9(5-10)16-17(12,13)14/h2-4,9-11H,5H2,1H3,(H,12,13,14)",SBKADJXSGGTEPN,UHFFFAOYSA,N,3-Methoxy-4-Hydroxyphenylglycol sulfate,SBKADJXSGGTEPN-UHFFFAOYSA-N
HMDB03333,283.091668551,C10H13N5O5,NC1=NC2=C(N=C(O)N2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1,"InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1",HCAJQHYUCKICQH,VPENINKCSA,N,8-Hydroxy-deoxyguanosine,HCAJQHYUCKICQH-VPENINKCSA-N
HMDB03334,202.14297584,C8H18N4O2,CN\C(NCCC[C@H](N)C(O)=O)=N/C,"InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1",HVPFXCBJHIIJGS,LURJTMIESA,N,Symmetric dimethylarginine,HVPFXCBJHIIJGS-LURJTMIESA-N
HMDB03335,428.013430334,C10H14N4O11P2,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)N1C=NC2=C1NC=NC2=O,"InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1",JPXZQMKKFWMMGK,VTHZCTBJSA,N,IDP,JPXZQMKKFWMMGK-VTHZCTBJSA-N
HMDB03337,612.151961898,C20H32N6O12S2,NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)",YPZRWBKMTBYPTK,UHFFFAOYSA,N,Oxidized glutathione,YPZRWBKMTBYPTK-UHFFFAOYSA-N
HMDB03338,33.021463723,H3NO,NO,"InChI=1S/H3NO/c1-2/h2H,1H2",AVXURJPOCDRRFD,UHFFFAOYSA,N,Hydroxylamine,AVXURJPOCDRRFD-UHFFFAOYSA-N
HMDB03339,147.053157781,C5H9NO4,N[C@H](CCC(O)=O)C(O)=O,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",WHUUTDBJXJRKMK,GSVOUGTGSA,N,D-Glutamic acid,WHUUTDBJXJRKMK-GSVOUGTGSA-N
HMDB03344,60.021129372,C2H4O2,OCC=O,"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2",WGCNASOHLSPBMP,UHFFFAOYSA,N,Glycolaldehyde,WGCNASOHLSPBMP-UHFFFAOYSA-N
HMDB03345,180.063388116,C6H12O6,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1",WQZGKKKJIJFFOK,DVKNGEFBSA,N,Alpha-D-Glucose,WQZGKKKJIJFFOK-DVKNGEFBSA-N
HMDB03349,158.03275669,C5H6N2O4,OC(=O)[C@@H]1CC(=O)NC(=O)N1,"InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1",UFIVEPVSAGBUSI,REOHCLBHSA,N,L-Dihydroorotic acid,UFIVEPVSAGBUSI-REOHCLBHSA-N
HMDB03351,605.077152801,C16H25N5O16P2,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,"InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14-,15-/m1/s1",MVMSCBBUIHUTGJ,LRJDVEEWSA,N,GDP-glucose,MVMSCBBUIHUTGJ-LRJDVEEWSA-N
HMDB03352,156.151415264,C10H20O,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1",NOOLISFMXDJSKH,KXUCPTDWSA,N,Menthol,NOOLISFMXDJSKH-KXUCPTDWSA-N
HMDB03355,117.078978601,C5H11NO2,NCCCCC(O)=O,"InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)",JJMDCOVWQOJGCB,UHFFFAOYSA,N,5-Aminopentanoic acid,JJMDCOVWQOJGCB-UHFFFAOYSA-N
HMDB03357,174.100442324,C7H14N2O3,CC(=O)N[C@@H](CCCN)C(O)=O,"InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",JRLGPAXAGHMNOL,LURJTMIESA,N,N-Acetylornithine,JRLGPAXAGHMNOL-LURJTMIESA-N
HMDB03361,80.037448138,C4H4N2,C1=CN=CN=C1,InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,CZPWVGJYEJSRLH,UHFFFAOYSA,N,Pyrimidine,CZPWVGJYEJSRLH-UHFFFAOYSA-N
HMDB03362,683.311282535,C28H49N3O16,CC(=O)NC1[C@H](O)OC(CO)[C@@H](COC[C@@H]2OC(CO)[C@@H](COC[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3NC(C)=O)[C@H](O)C2NC(C)=O)[C@@H]1O,"InChI=1S/C28H49N3O16/c1-11(35)29-21-19(9-44-8-15-17(5-33)47-28(42)23(25(15)39)31-13(3)37)45-16(4-32)14(24(21)38)7-43-10-20-22(30-12(2)36)27(41)26(40)18(6-34)46-20/h14-28,32-34,38-42H,4-10H2,1-3H3,(H,29,35)(H,30,36)(H,31,37)/t14-,15-,16?,17?,18?,19+,20+,21?,22?,23?,24+,25+,26-,27-,28-/m1/s1",DJHJJVWPFGHIPH,OODMECLYSA,N,Chitin,DJHJJVWPFGHIPH-OODMECLYSA-N
HMDB03363,194.042652674,C6H10O7,O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1",AEMOLEFTQBMNLQ,BKBMJHBISA,N,Pectic acid,AEMOLEFTQBMNLQ-BKBMJHBISA-N
HMDB03364,108.021129372,C6H4O2,O=C1C=CC(=O)C=C1,InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H,AZQWKYJCGOJGHM,UHFFFAOYSA,N,Quinone,AZQWKYJCGOJGHM-UHFFFAOYSA-N
HMDB03366,58.041864814,C3H6O,CCC=O,"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",NBBJYMSMWIIQGU,UHFFFAOYSA,N,Propanal,NBBJYMSMWIIQGU-UHFFFAOYSA-N
HMDB03369,565.071004791,C15H25N3O16P2,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,"InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1",CGPHZDRCVSLMCF,JZMIEXBBSA,N,CDP-glucose,CGPHZDRCVSLMCF-JZMIEXBBSA-N
HMDB03371,150.05282343,C5H10O5,OCC1(O)OC[C@@H](O)[C@@H]1O,"InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m1/s1",LQXVFWRQNMEDEE,OVEKKEMJSA,N,L-Ribulose,LQXVFWRQNMEDEE-OVEKKEMJSA-N
HMDB03374,132.089877638,C5H12N2O2,NCCC[C@@H](N)C(O)=O,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1",AHLPHDHHMVZTML,SCSAIBSYSA,N,D-Ornithine,AHLPHDHHMVZTML-SCSAIBSYSA-N
HMDB03375,136.125200512,C10H16,CC(=C)[C@H]1CCC(C)=CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1",XMGQYMWWDOXHJM,SNVBAGLBSA,N,D-Limonene,XMGQYMWWDOXHJM-SNVBAGLBSA-N
HMDB03377,879.131252359,C26H40N7O19P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=C)C(O)=O,"InChI=1S/C26H40N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,36-37H,1,4-10H2,2-3H3,(H,28,34)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,18-,19-,20?,24-/m1/s1",NFVGYLGSSJPRKW,XBTRWLRFSA,N,Itaconyl-CoA,NFVGYLGSSJPRKW-XBTRWLRFSA-N
HMDB03378,29.997988627,NO,[N]=O,InChI=1S/NO/c1-2,MWUXSHHQAYIFBG,UHFFFAOYSA,N,Nitric oxide,MWUXSHHQAYIFBG-UHFFFAOYSA-N
HMDB03379,252.870430756,O10P3,[O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O,"InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)/p-5",UNXRWKVEANCORM,UHFFFAOYSA,I,Triphosphate,UNXRWKVEANCORM-UHFFFAOYSA-I
HMDB03381,102.031694058,C4H6O3,OC\C=C\C(O)=O,"InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+",RMQJECWPWQIIPW,OWOJBTEDSA,N,4-Hydroxycrotonic acid,RMQJECWPWQIIPW-OWOJBTEDSA-N
HMDB03391,185.99293909,C3H7O7P,OC[C@@H](OP(O)(O)=O)C(O)=O,"InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",GXIURPTVHJPJLF,UWTATZPHSA,N,2-Phospho-D-glyceric acid,GXIURPTVHJPJLF-UWTATZPHSA-N
HMDB03402,194.042652674,C6H10O7,O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1",AEMOLEFTQBMNLQ,DTEWXJGMSA,N,Pectin,AEMOLEFTQBMNLQ-DTEWXJGMSA-N
HMDB03404,1525.635314599,C56H103N9O39,COC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7N)[C@H](O)[C@H]6N)[C@H](O)[C@H]5N)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](N)[C@H](O[C@H]2[C@H](O)[C@@H](N)[C@H](O)O[C@@H]2CO)O[C@@H]1CO,"InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1",FLASNYPZGWUPSU,SICDJOISSA,N,Chitosan,FLASNYPZGWUPSU-SICDJOISSA-N
HMDB03405,146.105527702,C6H14N2O2,NCCCC[C@H](N)C(O)=O,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",KDXKERNSBIXSRK,YFKPBYRVSA,N,D-Lysine,KDXKERNSBIXSRK-YFKPBYRVSA-N
HMDB03406,105.042593095,C3H7NO3,N[C@H](CO)C(O)=O,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",MTCFGRXMJLQNBG,UWTATZPHSA,N,D-Serine,MTCFGRXMJLQNBG-UWTATZPHSA-N
HMDB03407,86.036779436,C4H6O2,CC(=O)C(C)=O,InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,QSJXEFYPDANLFS,UHFFFAOYSA,N,Diacetyl,QSJXEFYPDANLFS-UHFFFAOYSA-N
HMDB03409,336.123583069,C20H18NO4,COC1=CC=C2C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1OC,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",YBHILYKTIRIUTE,UHFFFAOYSA,N,Berberine,YBHILYKTIRIUTE-UHFFFAOYSA-N
HMDB03411,115.063328537,C5H9NO2,OC(=O)[C@H]1CCCN1,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",ONIBWKKTOPOVIA,SCSAIBSYSA,N,D-Proline,ONIBWKKTOPOVIA-SCSAIBSYSA-N
HMDB03415,568.428031036,C40H56O2,O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@H]2C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37+/m0/s1",KBPHJBAIARWVSC,WTAPCXIZSA,N,"(3R,3'S,6'R)-b,e-Carotene-3,3'-diol",KBPHJBAIARWVSC-WTAPCXIZSA-N
HMDB03416,174.111675712,C6H14N4O2,N[C@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1",ODKSFYDXXFIFQN,SCSAIBSYSA,N,D-Arginine,ODKSFYDXXFIFQN-SCSAIBSYSA-N
HMDB03417,121.019749643,C3H7NO2S,N[C@H](CS)C(O)=O,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",XUJNEKJLAYXESH,UWTATZPHSA,N,D-Cysteine,XUJNEKJLAYXESH-UWTATZPHSA-N
HMDB03418,180.063388116,C6H12O6,OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CO,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1",BJHIKXHVCXFQLS,PQLUHFTBSA,N,D-Tagatose,BJHIKXHVCXFQLS-PQLUHFTBSA-N
HMDB03419,795.110122987,C22H36N7O17P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC=O,"InChI=1S/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17?,21-/m1/s1",SXMOKYXNAPLNCW,BWGWEBPHSA,N,Formyl-CoA,SXMOKYXNAPLNCW-BWGWEBPHSA-N
HMDB03422,284.177630012,C19H24O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",LUJVUUWNAPIQQI,QAGGRKNESA,N,Boldione,LUJVUUWNAPIQQI-QAGGRKNESA-N
HMDB03423,146.069142196,C5H10N2O3,N[C@H](CCC(N)=O)C(O)=O,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1",ZDXPYRJPNDTMRX,GSVOUGTGSA,N,D-Glutamine,ZDXPYRJPNDTMRX-GSVOUGTGSA-N
HMDB03424,242.26096571,C16H34O,CCCCCCCCCCCCCCCCO,"InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",BXWNKGSJHAJOGX,UHFFFAOYSA,N,1-Hexadecanol,BXWNKGSJHAJOGX-UHFFFAOYSA-N
HMDB03426,278.130027892,C11H22N2O4S,CC(C)(CO)C(O)C(=O)NCCC(=O)NCCS,"InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)",ZNXZGRMVNNHPCA,UHFFFAOYSA,N,Pantetheine,ZNXZGRMVNNHPCA-UHFFFAOYSA-N
HMDB03429,1328.564331295,C62H88CoN13O14P,CC1CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)C3=[N]4C2=C(C)C2=[N]5C(=CC6=[N]7C(=C(C)C8=[N]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co]457[N]3=CN(C4O[C@@H](CO)C(OP(O)(=O)O1)C4O)C1=C3C=C(C)C(C)=C1)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O,"InChI=1S/C62H88N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/b42-23-,54-32-,55-33-;/t31?,34-,35-,36-,37+,41+,52?,53?,57?,59-,60+,61+,62+;/m1./s1",SJBNFITWNDPBKE,WJICPROSSA,N,Cob(I)alamin,SJBNFITWNDPBKE-WJICPROSSA-N
HMDB03431,141.090211989,C6H11N3O,N[C@H](CO)CC1=CN=CN1,"InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1",ZQISRDCJNBUVMM,YFKPBYRVSA,N,L-Histidinol,ZQISRDCJNBUVMM-YFKPBYRVSA-N
HMDB03441,132.057514878,C9H8O,O=C\C=C\C1=CC=CC=C1,InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+,KJPRLNWUNMBNBZ,QPJJXVBHSA,N,Cinnamaldehyde,KJPRLNWUNMBNBZ-QPJJXVBHSA-N
HMDB03442,470.412380972,C32H54O2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCC)[C@H](C)CCCC(C)C,"InChI=1S/C32H54O2/c1-7-8-12-30(33)34-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)32(28,6)20-18-29(26)31/h13,22-23,25-29H,7-12,14-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1",RWTQCZGAMKTBRV,PTHRTHQKSA,N,CE(5:0),RWTQCZGAMKTBRV-PTHRTHQKSA-N
HMDB03447,161.084063979,C10H11NO,OCCC1=CNC2=CC=CC=C12,"InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2",MBBOMCVGYCRMEA,UHFFFAOYSA,N,Tryptophanol,MBBOMCVGYCRMEA-UHFFFAOYSA-N
HMDB03448,566.412380972,C40H54O2,C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(=O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,36-37,42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",OABQIJAIRYEICK,DKLMTRRASA,N,"3-Hydroxy-b,e-caroten-3'-one",OABQIJAIRYEICK-DKLMTRRASA-N
HMDB03449,180.063388116,C6H12O6,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",WQZGKKKJIJFFOK,FPRJBGLDSA,N,Beta-D-Galactose,WQZGKKKJIJFFOK-FPRJBGLDSA-N
HMDB03450,152.120115134,C10H16O,CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",BAVONGHXFVOKBV,ZJUUUORDSA,N,(-)-trans-Carveol,BAVONGHXFVOKBV-ZJUUUORDSA-N
HMDB03451,568.428031036,C40H56O2,O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(C)=CC(O)CC2(C)C)C(C)(C)C1,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16-,31-19+,32-20+/t35?,36-,37-/m1/s1",KBPHJBAIARWVSC,ZHSWJOBMSA,N,"(3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol",KBPHJBAIARWVSC-ZHSWJOBMSA-N
HMDB03453,74.036779436,C3H6O2,OCCC=O,"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2",AKXKFZDCRYJKTF,UHFFFAOYSA,N,3-Hydroxypropanal,AKXKFZDCRYJKTF-UHFFFAOYSA-N
HMDB03454,165.042593095,C8H7NO3,CC1=NC=C2COC(=O)C2=C1O,"InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3",HHPDVQLBYQFYFA,UHFFFAOYSA,N,4-Pyridoxolactone,HHPDVQLBYQFYFA-UHFFFAOYSA-N
HMDB03458,1346.574895981,C62H90CoN13O15P,C(C(N)=O)C[C@H]1[C@@](C2=C(C)C3=[N]4[C@]([C@@](CC(N)=O)([C@@H]3CCC(N)=O)C)(C3[C@H](CC(N)=O)[C@@]5(C6=C(C)C7=[N]8[Co+]4([N]4=CN([C@H]9O[C@@H]([C@@H](OP(O[C@@H](CNC(CC5)=O)C)(O)=O)[C@H]9O)CO)C5=C4C=C(C(=C5)C)C)([N]2=C1C=C8C(C)(C)[C@@H]7CCC(N)=O)(N36)O)C)C)(CC(N)=O)C,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1",YOZNUFWCRFCGIH,UVKKECPRSA,L,Aquacobalamin,YOZNUFWCRFCGIH-UVKKECPRSA-L
HMDB03459,160.08479226,C6H12N2O3,C[C@@H](N)C(=O)N[C@H](C)C(O)=O,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",DEFJQIDDEAULHB,QWWZWVQMSA,N,D-Alanyl-D-alanine,DEFJQIDDEAULHB-QWWZWVQMSA-N
HMDB03464,145.085126611,C5H11N3O2,NC(N)=NCCCC(O)=O,"InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)",TUHVEAJXIMEOSA,UHFFFAOYSA,N,4-Guanidinobutanoic acid,TUHVEAJXIMEOSA-UHFFFAOYSA-N
HMDB03466,178.047738052,C6H10O6,[H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO,"InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1",SXZYCXMUPBBULW,SKNVOMKLSA,N,L-Gulonolactone,SXZYCXMUPBBULW-SKNVOMKLSA-N
HMDB03470,175.048072403,C6H9NO5,OC(=O)CC[C@H](NC=O)C(O)=O,"InChI=1S/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1",ADZLWSMFHHHOBV,BYPYZUCNSA,N,N-Formyl-L-glutamic acid,ADZLWSMFHHHOBV-BYPYZUCNSA-N
HMDB03474,432.867179999,C9H9I2NO3,[H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O,"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1",NYPYHUZRZVSYKL,ZETCQYMHSA,N,"3,5-Diiodo-L-tyrosine",NYPYHUZRZVSYKL-ZETCQYMHSA-N
HMDB03484,199.024573569,C4H10NO6P,N[C@@H](CCOP(O)(O)=O)C(O)=O,"InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1",FXDNYOANAXWZHG,VKHMYHEASA,N,O-Phosphohomoserine,FXDNYOANAXWZHG-VKHMYHEASA-N
HMDB03498,260.029718526,C6H13O9P,O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1",NBSCHQHZLSJFNQ,VFUOTHLCSA,N,Beta-D-Glucose 6-phosphate,NBSCHQHZLSJFNQ-VFUOTHLCSA-N
HMDB03501,180.042258744,C9H8O4,OC(=O)\C=C\C1=CC(O)=C(O)C=C1,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",QAIPRVGONGVQAS,DUXPYHPUSA,N,"3,4-Dihydroxy-trans-cinnamate",QAIPRVGONGVQAS-DUXPYHPUSA-N
HMDB03502,659.861370576,C6H18O24P6,OP(O)(=O)OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O,"InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)",IMQLKJBTEOYOSI,UHFFFAOYSA,N,Myo-inositol hexakisphosphate,IMQLKJBTEOYOSI-UHFFFAOYSA-N
HMDB03503,198.05282343,C9H10O5,OC(CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)",PAFLSMZLRSPALU,UHFFFAOYSA,N,"3-(3,4-Dihydroxyphenyl)lactic acid",PAFLSMZLRSPALU-UHFFFAOYSA-N
HMDB03514,339.996048936,C6H14O12P2,O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O,"InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1",RWHOZGRAXYWRNX,VFUOTHLCSA,N,"Alpha-D-Glucose 1,6-bisphosphate",RWHOZGRAXYWRNX-VFUOTHLCSA-N
HMDB03518,206.042652674,C7H10O7,OC(=O)CC[C@@](O)(CC(O)=O)C(O)=O,"InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1",XKJVEVRQMLKSMO,SSDOTTSWSA,N,Homocitric acid,XKJVEVRQMLKSMO-SSDOTTSWSA-N
HMDB03529,579.895040166,C6H17O21P5,O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+",CTPQAXVNYGZUAJ,KXXVROSKSA,N,"Inositol 1,3,4,5,6-pentakisphosphate",CTPQAXVNYGZUAJ-KXXVROSKSA-N
HMDB03533,434.33960996,C27H46O4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C=O,"InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",USFJGINJGUIFSY,XZULNKEGSA,N,"3a,7a,12a-Trihydroxy-5b-cholestan-26-al",USFJGINJGUIFSY-XZULNKEGSA-N
HMDB03536,412.018515712,C10H14N4O10P2,O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O,"InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1",BKUSIKGSPSFQAC,RRKCRQDMSA,N,dIDP,BKUSIKGSPSFQAC-RRKCRQDMSA-N
HMDB03537,491.984846122,C10H15N4O13P3,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O,"InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1",UFJPAQSLHAGEBL,RRKCRQDMSA,N,2'-Deoxyinosine triphosphate,UFJPAQSLHAGEBL-RRKCRQDMSA-N
HMDB03538,62.00039393,CH2O3,OC(O)=O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",BVKZGUZCCUSVTD,UHFFFAOYSA,N,Carbonic acid,BVKZGUZCCUSVTD-UHFFFAOYSA-N
HMDB03539,504.169034976,C18H32O16,OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@@](CO)(CO[C@H]3O[C@](O)(CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/C18H32O16/c19-1-7-9(23)14(28)18(5-22,33-7)31-2-8-10(24)12(26)16(3-20,32-8)6-30-15-11(25)13(27)17(29,4-21)34-15/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1",AIHDCSAXVMAMJH,GFBKWZILSA,N,Levan,AIHDCSAXVMAMJH-GFBKWZILSA-N
HMDB03540,347.063084339,C10H14N5O7P,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",LNQVTSROQXJCDD,KQYNXXCUSA,N,3'-AMP,LNQVTSROQXJCDD-KQYNXXCUSA-N
HMDB03543,72.057514878,C4H8O,CCCC=O,"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3",ZTQSAGDEMFDKMZ,UHFFFAOYSA,N,Butanal,ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
HMDB03546,286.10525293,C13H18O7,OC[C@H]1O[C@@H](OC2=C(CO)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1",NGFMICBWJRZIBI,UJPOAAIJSA,N,Salicin,NGFMICBWJRZIBI-UJPOAAIJSA-N
HMDB03550,400.334130652,C27H44O2,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1",JWUBBDSIWDLEOM,DTOXIADCSA,N,Calcidiol,JWUBBDSIWDLEOM-DTOXIADCSA-N
HMDB03551,61.016378345,CH3NO2,NC(O)=O,"InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)",KXDHJXZQYSOELW,UHFFFAOYSA,N,Carbamic acid,KXDHJXZQYSOELW-UHFFFAOYSA-N
HMDB03553,666.221858406,C24H42O21,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1",UQZIYBXSHAGNOE,XNSRJBNMSA,N,Stachyose,UQZIYBXSHAGNOE-XNSRJBNMSA-N
HMDB03555,450.349780716,C31H46O2,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1=C(C)C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",MBWXNTAXLNYFJB,LKUDQCMESA,N,Vitamin K1,MBWXNTAXLNYFJB-LKUDQCMESA-N
HMDB03556,426.148574306,C15H26N2O12,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(O)=O)[C@@H]1O,"InChI=1S/C15H26N2O12/c1-4(20)16-7-11(23)12(6(3-19)27-13(7)24)29-14-8(17-15(25)26)10(22)9(21)5(2-18)28-14/h5-14,17-19,21-24H,2-3H2,1H3,(H,16,20)(H,25,26)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14+/m1/s1",HSRZMOSQMYFZBL,CGKOVJDHSA,N,Chitobiose,HSRZMOSQMYFZBL-CGKOVJDHSA-N
HMDB03559,346.141638436,C19H22O6,[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@]3(C)[C@@H](O)C=C[C@@]21OC3=O,"InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",IXORZMNAPKEEDV,OBDJNFEBSA,N,Gibberellin A3,IXORZMNAPKEEDV-OBDJNFEBSA-N
HMDB03563,283.120843415,C17H17NO3,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@H](C4)[C@]1([H])C=CC2=O,"InChI=1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3/t10-,11+,16-,17-/m0/s1",PFBSOANQDDTNGJ,YNHQPCIGSA,N,Morphinone,PFBSOANQDDTNGJ-YNHQPCIGSA-N
HMDB03571,949.282273691,C33H58N7O17P3S,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1",YMCXGHLSVALICC,GMHMEAMDSA,N,Lauroyl-CoA,YMCXGHLSVALICC-GMHMEAMDSA-N
HMDB03572,360.084517488,C18H16O8,OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(O)C=C1,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",DOUMFZQKYFQNTF,WUTVXBCWSA,N,Rosmarinic acid,DOUMFZQKYFQNTF-WUTVXBCWSA-N
HMDB03573,303.147058165,C17H21NO4,CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1",STECJAGHUSJQJN,FWXGHANASA,N,Scopolamine,STECJAGHUSJQJN-FWXGHANASA-N
HMDB03577,524.307081052,C23H40N8O6,CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O,"InChI=1S/C23H40N8O6/c1-13(2)18(24)21(35)31-11-5-7-15(31)19(33)28-12-17(32)30-10-4-8-16(30)20(34)29-14(22(36)37)6-3-9-27-23(25)26/h13-16,18H,3-12,24H2,1-2H3,(H,28,33)(H,29,34)(H,36,37)(H4,25,26,27)/t14-,15-,16-,18-/m0/s1",QVZKZDOWTVQTPL,OVWQWFNUSA,N,VPGPR Enterostatin,QVZKZDOWTVQTPL-OVWQWFNUSA-N
HMDB03581,214.131742452,C10H18N2O3,[H][C@@]1(C)NC(=O)N[C@]1([H])CCCCCC(O)=O,"InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1",AUTOLBMXDDTRRT,JGVFFNPUSA,N,Dethiobiotin,AUTOLBMXDDTRRT-JGVFFNPUSA-N
HMDB03584,167.036461859,C3H9N3O3S,NC(N)=NCCS(O)(=O)=O,"InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)",JKLRIMRKZBSSED,UHFFFAOYSA,N,Taurocyamine,JKLRIMRKZBSSED-UHFFFAOYSA-N
HMDB03585,152.991819853,C3H7NO2S2,N[C@H](CSS)C(O)=O,"InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",XBKONSCREBSMCS,UWTATZPHSA,N,Thiocysteine,XBKONSCREBSMCS-UWTATZPHSA-N
HMDB03598,302.224580204,C20H30O2,CC1CCCC(C)(C)C1\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O,"InChI=1S/C20H30O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14,17-18H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+",WWDMJSSVVPXVSV,YCNIQYBTSA,N,Retinyl ester,WWDMJSSVVPXVSV-YCNIQYBTSA-N
HMDB03601,329.162708229,C19H23NO4,COC1=C(O)C=C(C[C@@H]2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1,"InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1",BHLYRWXGMIUIHG,HNNXBMFYSA,N,(S)-Reticuline,BHLYRWXGMIUIHG-HNNXBMFYSA-N
HMDB03603,540.490631292,C37H64O2,CCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C,"InChI=1S/C37H64O2/c1-7-8-9-10-11-12-13-17-35(38)39-30-22-24-36(5)29(26-30)18-19-31-33-21-20-32(28(4)16-14-15-27(2)3)37(33,6)25-23-34(31)36/h18,27-28,30-34H,7-17,19-26H2,1-6H3",LJGMGXXCKVFFIS,UHFFFAOYSA,N,CE(10:0),LJGMGXXCKVFFIS-UHFFFAOYSA-N
HMDB03609,87.032028409,C3H5NO2,NC(=C)C(O)=O,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",UQBOJOOOTLPNST,UHFFFAOYSA,N,2-Aminoacrylic acid,UQBOJOOOTLPNST-UHFFFAOYSA-N
HMDB03625,201.970625604,Hg,[Hg++],InChI=1S/Hg/q+2,BQPIGGFYSBELGY,UHFFFAOYSA,N,Mercury,BQPIGGFYSBELGY-UHFFFAOYSA-N
HMDB03626,193.110278729,C11H15NO2,C[C@H]1N(C)CCC2=CC(O)=C(O)C=C12,"InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3/t7-/m1/s1",RKMGOUZXGHZLBJ,SSDOTTSWSA,N,(R)-N-Methylsalsolinol,RKMGOUZXGHZLBJ-SSDOTTSWSA-N
HMDB03633,151.099714043,C9H13NO,CNCCC1=CC=C(O)C=C1,"InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3",AXVZFRBSCNEKPQ,UHFFFAOYSA,N,N-Methyltyramine,AXVZFRBSCNEKPQ-UHFFFAOYSA-N
HMDB03634,152.120115135,C10H16O,CC(=C)C1CCC(CO)=CC1,"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3",NDTYTMIUWGWIMO,UHFFFAOYSA,N,Perillyl alcohol,NDTYTMIUWGWIMO-UHFFFAOYSA-N
HMDB03638,113.903358121,Cd,[Cd++],InChI=1S/Cd/q+2,WLZRMCYVCSSEQC,UHFFFAOYSA,N,Cadmium,WLZRMCYVCSSEQC-UHFFFAOYSA-N
HMDB03640,131.094628665,C6H13NO2,CC(C)[C@@H](N)CC(O)=O,"InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",GLUJNGJDHCTUJY,YFKPBYRVSA,N,Beta-Leucine,GLUJNGJDHCTUJY-YFKPBYRVSA-N
HMDB03642,87.905614339,Sr,[Sr++],InChI=1S/Sr/q+2,PWYYWQHXAPXYMF,UHFFFAOYSA,N,Strontium,PWYYWQHXAPXYMF-UHFFFAOYSA-N
HMDB03646,114.042927446,C4H6N2O2,CN1CC(=O)NC1=O,"InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)",RHYBFKMFHLPQPH,UHFFFAOYSA,N,N-Methylhydantoin,RHYBFKMFHLPQPH-UHFFFAOYSA-N
HMDB03647,150.104465071,C10H14O,[H]C(=O)C1=CCC(CC1)C(C)=C,"InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3",RUMOYJJNUMEFDD,UHFFFAOYSA,N,Perillyl aldehyde,RUMOYJJNUMEFDD-UHFFFAOYSA-N
HMDB03648,524.459331164,C36H60O2,CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+",VYGQUTWHTHXGQB,FFHKNEKCSA,N,Retinyl palmitate,VYGQUTWHTHXGQB-FFHKNEKCSA-N
HMDB03654,150.068079564,C9H10O2,OC\C=C\C1=CC=C(O)C=C1,"InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+",PTNLHDGQWUGONS,OWOJBTEDSA,N,4-Coumaryl alcohol,PTNLHDGQWUGONS-OWOJBTEDSA-N
HMDB03656,59.037113787,C2H5NO,C\C=N\O,"InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+",FZENGILVLUJGJX,NSCUHMNNSA,N,Acetaldehyde oxime,FZENGILVLUJGJX-NSCUHMNNSA-N
HMDB03661,102.115698458,C5H14N2,CNCCCCN,"InChI=1S/C5H14N2/c1-7-5-3-2-4-6/h7H,2-6H2,1H3",RMIVMBYMDISYFZ,UHFFFAOYSA,N,N-Methylputrescine,RMIVMBYMDISYFZ-UHFFFAOYSA-N
HMDB03665,720.012159345,C15H26N5O20P4,NC1=[N+](C=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O)C1OC(COP(O)(O)=O)C(O)C1O,"InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H6,25,26,27,28,29,30,31,32,33,34)/p+1",KYTPWZMUSLPBJZ,UHFFFAOYSA,O,Phosphoribosyl-ATP,KYTPWZMUSLPBJZ-UHFFFAOYSA-O
HMDB03667,152.120115134,C10H16O,CC12OC1CC1CC2C1(C)C,"InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3",NQFUSWIGRKFAHK,UHFFFAOYSA,N,Alpha-Pinene-oxide,NQFUSWIGRKFAHK-UHFFFAOYSA-N
HMDB03671,114.10446507,C7H14O,CCCCCC(C)=O,"InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3",CATSNJVOTSVZJV,UHFFFAOYSA,N,2-Heptanone,CATSNJVOTSVZJV-UHFFFAOYSA-N
HMDB03681,145.073893223,C6H11NO3,CC(=O)NCCCC(O)=O,"InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)",UZTFMUBKZQVKLK,UHFFFAOYSA,N,4-Acetamidobutanoic acid,UZTFMUBKZQVKLK-UHFFFAOYSA-N
HMDB03689,360.230059512,C22H32O4,CC\C=C/C[C@H](O)\C=C/C=C/C=C/[C@H](O)C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1",CRDZYJSQHCXHEG,SFVBTVKNSA,N,Neuroprotectin D1,CRDZYJSQHCXHEG-SFVBTVKNSA-N
HMDB03701,146.08439833,C9H10N2,CC1=CC2=C(C=C1C)N=CN2,"InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)",LJUQGASMPRMWIW,UHFFFAOYSA,N,Dimethylbenzimidazole,LJUQGASMPRMWIW-UHFFFAOYSA-N
HMDB03705,197.020156893,C3H8N3O5P,N\C(NP(O)(O)=O)=N/CC(O)=O,"InChI=1S/C3H8N3O5P/c4-3(5-1-2(7)8)6-12(9,10)11/h1H2,(H,7,8)(H5,4,5,6,9,10,11)",UUZLOPBEONRDRY,UHFFFAOYSA,N,Phosphoguanidinoacetate,UUZLOPBEONRDRY-UHFFFAOYSA-N
HMDB03712,943.235323499,C33H52N7O17P3S,CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)([O-])[O-])N1C=NC2=C1N=CN=C2N,"InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b13-12+/t22-,26-,27-,28+,32-/m1/s1",IRFYVBULXZMEDE,DEEZISNZSA,J,(2E)-Dodecenoyl-CoA,IRFYVBULXZMEDE-DEEZISNZSA-J
HMDB03733,376.224974134,C22H32O5,CC\C=C/C[C@H](O)\C=C\C=C/C=C/C=C/C(O)[C@@H](O)C\C=C/CCC(O)=O,"InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20?,21-/m0/s1",OIWTWACQMDFHJG,NJIQAZPPSA,N,Resolvin D1,OIWTWACQMDFHJG-NJIQAZPPSA-N
HMDB03745,141.975835438,C2H6O3S2,OS(=O)(=O)CCS,"InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)",ZNEWHQLOPFWXOF,UHFFFAOYSA,N,Mesna,ZNEWHQLOPFWXOF-UHFFFAOYSA-N
HMDB03747,228.078644246,C14H12O3,OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1,"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+",LUKBXSAWLPMMSZ,OWOJBTEDSA,N,Resveratrol,LUKBXSAWLPMMSZ-OWOJBTEDSA-N
HMDB03752,412.246414119,C18H39NO7P,[H][C@@](O)(COC(=O)CCCCCCCCC)COP(O)(=O)OCC[N+](C)(C)C,"InChI=1S/C18H38NO7P/c1-5-6-7-8-9-10-11-12-18(21)24-15-17(20)16-26-27(22,23)25-14-13-19(2,3)4/h17,20H,5-16H2,1-4H3/p+1/t17-/m1/s1",SECPDKKEUKDCPG,QGZVFWFLSA,O,LysoPC(10:0),SECPDKKEUKDCPG-QGZVFWFLSA-O
HMDB03759,316.240230268,C21H32O2,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1",XMRPGKVKISIQBV,BJMCWZGWSA,N,"5a-Pregnane-3,20-dione",XMRPGKVKISIQBV-BJMCWZGWSA-N
HMDB03764,218.090271568,C8H14N2O5,CC(NC(=O)C(N)CCC(O)=O)C(O)=O,"InChI=1S/C8H14N2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)",JZDHUJAFXGNDSB,UHFFFAOYSA,N,Glutamylalanine,JZDHUJAFXGNDSB-UHFFFAOYSA-N
HMDB03767,136.0524295,C8H8O2,OC1=CC=C(CC=O)C=C1,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",IPRPPFIAVHPVJH,UHFFFAOYSA,N,4-Hydroxyphenylacetaldehyde,IPRPPFIAVHPVJH-UHFFFAOYSA-N
HMDB03769,288.20893014,C19H28O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1",RAJWOBJTTGJROA,QJISAEMRSA,N,Etiocholanedione,RAJWOBJTTGJROA-QJISAEMRSA-N
HMDB03771,116.047344122,C5H8O3,CC(C(C)=O)C(O)=O,"InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)",GCXJINGJZAOJHR,UHFFFAOYSA,N,2-Methylacetoacetic acid,GCXJINGJZAOJHR-UHFFFAOYSA-N
HMDB03791,152.047344122,C8H8O3,OC1=C(O)C=C(CC=O)C=C1,"InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2",IADQVXRMSNIUEL,UHFFFAOYSA,N,"3,4-Dihydroxyphenylacetaldehyde",IADQVXRMSNIUEL-UHFFFAOYSA-N
HMDB03797,280.240230268,C18H32O2,CCCCCC\C=C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-",JBYXPOFIGCOSSB,GOJKSUSPSA,N,Bovinic acid,JBYXPOFIGCOSSB-GOJKSUSPSA-N
HMDB03818,290.224580204,C19H30O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1",QADHLRWLCPCEKT,LOVVWNRFSA,N,5-Androstenediol,QADHLRWLCPCEKT-LOVVWNRFSA-N
HMDB03822,428.36543078,C29H48O2,CC(C)CCC[C@@H](C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O,"InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1",XUGISPSHIFXEHZ,JUTJDYIZSA,N,Cholesteryl acetate,XUGISPSHIFXEHZ-JUTJDYIZSA-N
HMDB03826,326.122634328,C13H18N4O6,CC1=C(C)N(CC(O)C(O)C(O)CO)C2=NC(=O)NC(=O)C2=N1,"InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)",SXDXRJZUAJBNFL,UHFFFAOYSA,N,"6,7-Dimethyl-8-(1-D-ribityl)lumazine",SXDXRJZUAJBNFL-UHFFFAOYSA-N
HMDB03828,554.24440572,C22H42N4O8S2,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO,"InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1",DJWYOLJPSHDSAL,ROUUACIJSA,N,D-Pantethine,DJWYOLJPSHDSAL-ROUUACIJSA-N
HMDB03831,181.073893223,C9H11NO3,NC(CC(O)=O)C1=CC=C(O)C=C1,"InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",JYPHNHPXFNEZBR,UHFFFAOYSA,N,Beta-Tyrosine,JYPHNHPXFNEZBR-UHFFFAOYSA-N
HMDB03834,870.006125226,C20H26N8O23P4,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(=O)NC3=O)O[C@H]([C@@H]1O)N1C=NC2=C1NC(=O)NC2=O,"InChI=1S/C20H26N8O23P4/c29-9-5(47-17(11(9)31)27-3-21-7-13(27)23-19(35)25-15(7)33)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(30)12(32)18(48-6)28-4-22-8-14(28)24-20(36)26-16(8)34/h3-6,9-12,17-18,29-32H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,33,35)(H2,24,26,34,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1",PNTZPNDMKHCLNV,MHARETSRSA,N,"P1,P4-Bis(5'-xanthosyl) tetraphosphate",PNTZPNDMKHCLNV-MHARETSRSA-N
HMDB03840,161.898502302,H3O3PSe,OP(O)(O)=[Se],"InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)",JRPHGDYSKGJTKZ,UHFFFAOYSA,N,Phosphoroselenoic acid,JRPHGDYSKGJTKZ-UHFFFAOYSA-N
HMDB03841,356.073314674,C9H17N4O9P,NC1=C(NCC(O)C(O)C(O)COP(O)(O)=O)NC(=O)NC1=O,"InChI=1S/C9H17N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h3-4,6,14-16H,1-2,10H2,(H2,19,20,21)(H3,11,12,13,17,18)",RQRINYISXYAZKL,UHFFFAOYSA,N,5-Amino-6-(5'-phosphoribitylamino)uracil,RQRINYISXYAZKL-UHFFFAOYSA-N
HMDB03843,114.068079564,C6H10O2,CCC1CCC(=O)O1,"InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3",JBFHTYHTHYHCDJ,UHFFFAOYSA,N,Gamma-Caprolactone,JBFHTYHTHYHCDJ-UHFFFAOYSA-N
HMDB03848,499.928709756,C6H16O18P4,O[C@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O,"InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1",MRVYFOANPDTYBY,UZAAGFTCSA,N,"D-Myo-inositol 3,4,5,6-tetrakisphosphate",MRVYFOANPDTYBY-UZAAGFTCSA-N
HMDB03850,470.022657616,C11H20O16P2,O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(=O)OC[C@@H](CC(O)=O)C(O)=O)[C@@H]1O,"InChI=1S/C11H20O16P2/c12-4(13)1-3(11(18)19)2-25-29(23,24)27-10-7(16)5(14)6(15)9(8(10)17)26-28(20,21)22/h3,5-10,14-17H,1-2H2,(H,12,13)(H,18,19)(H,23,24)(H2,20,21,22)/t3-,5+,6+,7-,8-,9-,10+/m1/s1",YKMGQFUXYYTRLF,SLJXNWFNSA,N,1-Phosphatidyl-1D-myo-inositol 3-phosphate,YKMGQFUXYYTRLF-SLJXNWFNSA-N
HMDB03851,332.23514489,C21H32O3,[H][C@@]12CC[C@](O)(CCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H32O3/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h13,16-18,22,24H,3-12H2,1-2H3/t16-,17+,18+,19+,20+,21+/m1/s1",ABBVGECYEGYVPY,CEGNMAFCSA,N,"3a,7a-Dihydroxy-5b-cholestanate",ABBVGECYEGYVPY-CEGNMAFCSA-N
HMDB03869,275.148120797,C11H21N3O5,N[C@@H](CCCCNC(=O)CC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C11H21N3O5/c12-7(10(16)17)3-1-2-6-14-9(15)5-4-8(13)11(18)19/h7-8H,1-6,12-13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1",JPKNLFVGUZRHOB,YUMQZZPRSA,N,Epsilon-(gamma-Glutamyl)-lysine,JPKNLFVGUZRHOB-YUMQZZPRSA-N
HMDB03871,312.230059512,C18H32O4,CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",JDSRHVWSAMTSSN,IRQZEAMPSA,N,13-L-Hydroperoxylinoleic acid,JDSRHVWSAMTSSN-IRQZEAMPSA-N
HMDB03873,450.334524582,C27H46O5,[H][C@@]12CC[C@H]([C@H](C)CCC[C@@H](C)C(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16-,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1",CNWPIIOQKZNXBB,WBYPBBSPSA,N,"3a,7a,12a-Trihydroxy-5b-cholestanoic acid",CNWPIIOQKZNXBB-WBYPBBSPSA-N
HMDB03876,320.23514489,C20H32O3,CCCCC[C@H](O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1",JSFATNQSLKRBCI,VAEKSGALSA,N,15(S)-HETE,JSFATNQSLKRBCI-VAEKSGALSA-N
HMDB03882,358.092987484,C14H19N2O7P,CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1",ZMRGXEJKZPRBPJ,SYQHCUMBSA,N,"N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole",ZMRGXEJKZPRBPJ-SYQHCUMBSA-N
HMDB03892,193.110278729,C11H15NO2,C[C@@H]1N(C)CCC2=CC(O)=C(O)C=C12,"InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3/t7-/m0/s1",RKMGOUZXGHZLBJ,ZETCQYMHSA,N,(S)-N-Methylsalsolinol,RKMGOUZXGHZLBJ-ZETCQYMHSA-N
HMDB03896,382.323565966,C27H42O,[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C,"InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1",RUSSPKPUXDSHNC,DDPQNLDTSA,N,7-Dehydrodesmosterol,RUSSPKPUXDSHNC-DDPQNLDTSA-N
HMDB03903,125.99867937,C2H6O4S,OCCS(O)(=O)=O,"InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)",SUMDYPCJJOFFON,UHFFFAOYSA,N,2-Hydroxyethanesulfonate,SUMDYPCJJOFFON-UHFFFAOYSA-N
HMDB03904,469.071182446,C14H23N4O8P2S,CC(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1,"InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,19H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1",RRUVJGASJONMDY,UHFFFAOYSA,O,2-(a-Hydroxyethyl)thiamine diphosphate,RRUVJGASJONMDY-UHFFFAOYSA-O
HMDB03905,110.048012824,C5H6N2O,O=CCC1=CN=CN1,"InChI=1S/C5H6N2O/c8-2-1-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)",MQSRGWNVEZRLDK,UHFFFAOYSA,N,Imidazole-4-acetaldehyde,MQSRGWNVEZRLDK-UHFFFAOYSA-N
HMDB03911,103.063328537,C4H9NO2,CC(CN)C(O)=O,"InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",QCHPKSFMDHPSNR,UHFFFAOYSA,N,3-Aminoisobutanoic acid,QCHPKSFMDHPSNR-UHFFFAOYSA-N
HMDB03920,353.126322723,C20H19NO5,CN1CCC2=C(C=C3OCOC3=C2)C(=O)CC2=C(C1)C1=C(OCO1)C=C2,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",GPTFURBXHJWNHR,UHFFFAOYSA,N,Protopine,GPTFURBXHJWNHR-UHFFFAOYSA-N
HMDB03929,83.048347175,C3H5N3,NC1=CN=CN1,"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)",QRZMXADUXZADTF,UHFFFAOYSA,N,5-Aminoimidazole,QRZMXADUXZADTF-UHFFFAOYSA-N
HMDB03932,1021.339788569,C37H66N7O18P3S,CCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25-,26+,30+,31+,32?,36+/m0/s1",DEHLMTDDPWDRDR,QQOJFMBSSA,N,(S)-3-Hydroxyhexadecanoyl-CoA,DEHLMTDDPWDRDR-QQOJFMBSSA-N
HMDB03933,378.20155335,C17H26N6O4,N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(O)=O)N=C12)C(O)=O,"InChI=1S/C17H26N6O4/c18-11(15(24)25)5-1-2-9-23-10-4-7-13-14(23)22-17(21-13)20-8-3-6-12(19)16(26)27/h4,7,10-12H,1-3,5-6,8-9,18-19H2,(H,20,21)(H,24,25)(H,26,27)/t11-,12-/m0/s1",AYEKKSTZQYEZPU,RYUDHWBXSA,N,Pentosidine,AYEKKSTZQYEZPU-RYUDHWBXSA-N
HMDB03934,993.308488441,C35H62N7O18P3S,CCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t23-,24+,28+,29+,30?,34+/m0/s1",OXBHKMHNDGRDCZ,UOBIXJHKSA,N,(S)-3-Hydroxytetradecanoyl-CoA,OXBHKMHNDGRDCZ-UOBIXJHKSA-N
HMDB03935,991.292838377,C35H60N7O18P3S,CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-22,24,28-30,34,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t24-,28-,29-,30+,34-/m1/s1",IQNFBGHLIVBNOU,QSGBVPJFSA,N,3-Oxotetradecanoyl-CoA,IQNFBGHLIVBNOU-QSGBVPJFSA-N
HMDB03936,965.277188313,C33H58N7O18P3S,CCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21-,22+,26+,27+,28?,32+/m0/s1",IJFLXRCJWPKGKJ,AGWWUHEJSA,N,(S)-3-Hydroxydodecanoyl-CoA,IJFLXRCJWPKGKJ-AGWWUHEJSA-N
HMDB03937,963.261538249,C33H56N7O18P3S,CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t22-,26-,27-,28?,32-/m1/s1",HQANBZHVWIDNQZ,IIZVUBDFSA,N,3-Oxododecanoyl-CoA,HQANBZHVWIDNQZ-IIZVUBDFSA-N
HMDB03938,937.245888185,C31H54N7O18P3S,CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24?,25-,26-,30+/m0/s1",HIVSMYZAMUNFKZ,WQUYVQPTSA,N,(S)-Hydroxydecanoyl-CoA,HIVSMYZAMUNFKZ-WQUYVQPTSA-N
HMDB03939,935.230238121,C31H52N7O18P3S,CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t20-,24-,25-,26?,30-/m1/s1",AZCVXMAPLHSIKY,BOJFXZHGSA,N,3-Oxodecanoyl-CoA,AZCVXMAPLHSIKY-BOJFXZHGSA-N
HMDB03940,909.214588057,C29H50N7O18P3S,[H][C@](O)(CCCCC)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,18+,22?,23-,24-,28+/m0/s1",ATVGTMKWKDUCMS,FZQVHTIWSA,N,(S)-Hydroxyoctanoyl-CoA,ATVGTMKWKDUCMS-FZQVHTIWSA-N
HMDB03941,907.198937993,C29H48N7O18P3S,CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C29H48N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-16,18,22-24,28,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t18-,22-,23-,24?,28-/m1/s1",WPIVBCGRGVNDDT,FFJUWABQSA,N,3-Oxooctanoyl-CoA,WPIVBCGRGVNDDT-FFJUWABQSA-N
HMDB03942,881.183287929,C27H46N7O18P3S,CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16+,20+,21+,22?,26+/m0/s1",VAAHKRMGOFIORX,DWUFXMDISA,N,(S)-Hydroxyhexanoyl-CoA,VAAHKRMGOFIORX-DWUFXMDISA-N
HMDB03943,879.167637865,C27H44N7O18P3S,CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C27H44N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-14,16,20-22,26,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t16-,20-,21-,22?,26-/m1/s1",NFOYYXQAVVYWKV,ZOGSZLKASA,N,3-Oxohexanoyl-CoA,NFOYYXQAVVYWKV-ZOGSZLKASA-N
HMDB03944,863.172723243,C27H44N7O17P3S,CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b7-6+/t16-,20-,21-,22?,26-/m1/s1",OINXHIBNZUUIMR,DOSZRKKKSA,N,trans-2-Hexenoyl-CoA,OINXHIBNZUUIMR-DOSZRKKKSA-N
HMDB03945,999.297923755,C37H60N7O17P3S,CCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)([O-])[O-])N1C=NC2=C1N=CN=C2N,"InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b17-16+/t26-,30-,31-,32+,36-/m1/s1",JUPAQFRKPHPXLD,MSHHSVQMSA,J,(2E)-Hexadecenoyl-CoA,JUPAQFRKPHPXLD-MSHHSVQMSA-J
HMDB03946,975.297923755,C35H60N7O17P3S,CCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30?,34-/m1/s1",MBCVYCOKMMMWLX,IKUURZALSA,N,(2E)-Tetradecenoyl-CoA,MBCVYCOKMMMWLX-IKUURZALSA-N
HMDB03947,1095.391824139,C44H72N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C44H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h8-9,11-12,14-15,17-18,31-33,37-39,43,54-55H,4-7,10,13,16,19-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/b9-8-,12-11-,15-14-,18-17-/t33-,37?,38+,39+,43-/m1/s1",VPDGJOHYVQUGHC,PGGIITILSA,N,"8Z,11Z,14Z-eicosatrienoyl-CoA",VPDGJOHYVQUGHC-PGGIITILSA-N
HMDB03948,919.235323499,C31H52N7O17P3S,CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b11-10+/t20-,24-,25-,26?,30-/m1/s1",MGNBGCRQQFMNBM,VHTAIFHGSA,N,(2E)-Decenoyl-CoA,MGNBGCRQQFMNBM-VHTAIFHGSA-N
HMDB03949,891.204023371,C29H48N7O17P3S,CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b9-8+/t18-,22-,23-,24?,28-/m1/s1",CPSDNAXXKWVYIY,DPSCIZRPSA,N,(2E)-Octenoyl-CoA,CPSDNAXXKWVYIY-DPSCIZRPSA-N
HMDB03950,283.10424461,C11H15N4O5,CN1C=[N+](C2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2,"InChI=1S/C11H14N4O5/c1-14-4-15(9-6(14)10(19)13-3-12-9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/p+1/t5-,7-,8-,11?/m1/s1",VJNXUFOTKNTNPG,YNJARDAQSA,O,7-Methylinosine,VJNXUFOTKNTNPG-YNJARDAQSA-O
HMDB03952,945.250973563,C33H54N7O17P3S,CCCCC\C=C/C\C=C/CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,11-12,20-22,26-28,32,43-44H,4-7,10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,12-11-/t22-,26-,27-,28?,32-/m1/s1",KEPSPLQXVPROMK,GXFXHJQUSA,N,"cis,cis-3,6-Dodecadienoyl-CoA",KEPSPLQXVPROMK-GXFXHJQUSA-N
HMDB03955,302.188194698,C19H26O3,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12CO,"InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1",XGUHPTGEXRHMQQ,BGJMDTOESA,N,"19-Hydroxyandrost-4-ene-3,17-dione",XGUHPTGEXRHMQQ-BGJMDTOESA-N
HMDB03956,304.203844762,C19H28O3,C[C@]12CCC3C(CCC4=C(O)C(=O)CC[C@]34C)C1CC[C@@H]2O,"InChI=1S/C19H28O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,16,21-22H,3-10H2,1-2H3/t11?,12?,13?,16-,18+,19-/m0/s1",BQOIJSIMMIDHMO,XRJYYLNASA,N,7a-Hydroxytestosterone,BQOIJSIMMIDHMO-XRJYYLNASA-N
HMDB03959,302.188194698,C19H26O3,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C=O,"InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-17,22H,2-9H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1",TXNCGXATKOMEQC,KOUJMVCDSA,N,19-Oxotestosterone,TXNCGXATKOMEQC-KOUJMVCDSA-N
HMDB03966,196.995500429,C5H11NO2Se,C[Se]CCC(N)C(O)=O,"InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",RJFAYQIBOAGBLC,UHFFFAOYSA,N,Selenomethionine,RJFAYQIBOAGBLC-UHFFFAOYSA-N
HMDB03967,901.151987801,C29H42N7O18P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CC1=CC=C(O)C=C1,"InChI=1S/C29H42N7O18P3S/c1-29(2,24(41)27(42)32-8-7-19(38)31-9-10-58-20(39)11-16-3-5-17(37)6-4-16)13-51-57(48,49)54-56(46,47)50-12-18-23(53-55(43,44)45)22(40)28(52-18)36-15-35-21-25(30)33-14-34-26(21)36/h3-6,14-15,18,22-24,28,37,40-41H,7-13H2,1-2H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t18-,22-,23-,24?,28-/m1/s1",GPCAQTOAAYEBGJ,FFJUWABQSA,N,4-Hydroxyphenylacetyl-CoA,GPCAQTOAAYEBGJ-FFJUWABQSA-N
HMDB03971,260.029718526,C6H13O9P,OC[C@@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1",BGWGXPAPYGQALX,ARQDHWQXSA,N,Beta-D-Fructose 6-phosphate,BGWGXPAPYGQALX-ARQDHWQXSA-N
HMDB03974,190.011352546,C6H6O7,OC(=O)CC(C(O)=O)C(=O)C(O)=O,"InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)",UFSCUAXLTRFIDC,UHFFFAOYSA,N,Oxalosuccinic acid,UFSCUAXLTRFIDC-UHFFFAOYSA-N
HMDB03976,274.008983084,C6H11O10P,O[C@@H]1[C@@H](O)C(OP(O)(O)=O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2-,3+,4-,6?/m0/s1",AIQDYKMWENWVQJ,AQKNRBDQSA,N,D-Glucuronic acid 1-phosphate,AIQDYKMWENWVQJ-AQKNRBDQSA-N
HMDB03990,420.360345402,C27H48O3,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@@]2(O)C[C@@H](O)CC[C@]12C,"InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1",YMMFNKXZULYSOQ,RUXQDQFYSA,N,"3b,5a,6b-Cholestanetriol",YMMFNKXZULYSOQ-RUXQDQFYSA-N
HMDB03993,536.438201803,C40H56,C\C(\C=C\C=C(/C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",ANVAOWXLWRTKGA,JLTXGRSLSA,N,Alpha-Carotene,ANVAOWXLWRTKGA-JLTXGRSLSA-N
HMDB04025,320.271530396,C21H36O2,[H][C@@]12CC[C@H](CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)(O)CC[C@]12C,"InChI=1S/C21H36O2/c1-4-14-6-8-17-16-7-5-15-13-21(22,23)12-11-20(15,3)18(16)9-10-19(14,17)2/h14-18,22-23H,4-13H2,1-3H3/t14-,15?,16-,17-,18-,19+,20-/m0/s1",JBSVQUOGNMYMSF,CIQUAOMQSA,N,Pregnanediol,JBSVQUOGNMYMSF-CIQUAOMQSA-N
HMDB04026,332.23514489,C21H32O3,[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1",MOIQRAOBRXUWGN,WPWXJNKXSA,N,21-Hydroxypregnenolone,MOIQRAOBRXUWGN-WPWXJNKXSA-N
HMDB04029,344.198759384,C21H28O4,[H][C@@]12CCC(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16?,19+,20-,21-/m0/s1",FUFLCEKSBBHCMO,IWBQTIMDSA,N,11-Dehydrocorticosterone,FUFLCEKSBBHCMO-IWBQTIMDSA-N
HMDB04030,346.214409448,C21H30O4,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-/m0/s1",LCZBQMKVFQNSJR,CZUPSRJTSA,N,21-Deoxycortisol,LCZBQMKVFQNSJR-CZUPSRJTSA-N
HMDB04031,332.198759384,C20H28O4,[H][C@@]12CC[C@H](C(O)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C20H28O4/c1-19-8-7-12(21)9-11(19)3-4-13-14-5-6-15(18(23)24)20(14,2)10-16(22)17(13)19/h9,13-17,22H,3-8,10H2,1-2H3,(H,23,24)/t13-,14-,15+,16+,17+,19-,20-/m0/s1",XEFVQCSDIKHROY,CAPFDLLWSA,N,11b-Hydroxyprogesterone,XEFVQCSDIKHROY-CAPFDLLWSA-N
HMDB04035,402.349780716,C27H46O2,[H][C@@]12CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1",RZPAXNJLEKLXNO,GFKLAVDKSA,N,22b-Hydroxycholesterol,RZPAXNJLEKLXNO-GFKLAVDKSA-N
HMDB04038,360.230059512,C22H32O4,CC\C=C/C[C@H](O)\C=C\C=C/C\C=C/C=C/[C@@H](O)\C=C/CCCC(O)=O,"InChI=1S/C22H32O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-8,10-13,16-18,20-21,23-24H,2,4,9,14-15,19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3-,16-11+,17-12+,18-13-/t20-,21+/m0/s1",JBRPFYYLEQERPG,XTIXYJHRSA,N,Resolvin D5,JBRPFYYLEQERPG-XTIXYJHRSA-N
HMDB04041,119.058243159,C4H9NO3,C[C@H](O)[C@H](N)C(O)=O,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1",AYFVYJQAPQTCCC,HRFVKAFMSA,N,L-Allothreonine,AYFVYJQAPQTCCC-HRFVKAFMSA-N
HMDB04043,154.135765198,C10H18O,CC1=CC[C@@H](CC1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1",WUOACPNHFRMFPN,VIFPVBQESA,N,Alpha-Terpineol,WUOACPNHFRMFPN-VIFPVBQESA-N
HMDB04044,281.112403993,C11H15N5O4,CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1",VQAYFKKCNSOZKM,IOSLPCCCSA,N,N6-Methyladenosine,VQAYFKKCNSOZKM-IOSLPCCCSA-N
HMDB04045,167.97285855,C3H4O6S,OC(=O)C(=O)CS(O)(=O)=O,"InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)",BUTHMSUEBYPMKJ,UHFFFAOYSA,N,3-Sulfopyruvic acid,BUTHMSUEBYPMKJ-UHFFFAOYSA-N
HMDB04047,895.162552487,C27H44N7O19P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC(O)=O,"InChI=1S/C27H44N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h13-15,20-22,26,39-40H,3-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15-,20-,21-,22+,26-/m1/s1",SPNAEHGLBRRCGL,BIEWRJSYSA,N,Adipoyl-CoA,SPNAEHGLBRRCGL-BIEWRJSYSA-N
HMDB04049,370.23553882,C20H34O6,OCCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)C1C\C=C/CCCC(O)=O,"InChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-19,21-24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16?,17?,18-,19+/m0/s1",XQXUYZDBZCLAQO,BFDMEJFDSA,N,20-Hydroxy-PGF2a,XQXUYZDBZCLAQO-BFDMEJFDSA-N
HMDB04051,564.227887258,C22H36N4O13,CC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)N[C@@H](CCCCN(O)C(C)=O)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)/t15-,16-/m0/s1",KDHHWXGBNUCREU,HOTGVXAUSA,N,Aerobactin,KDHHWXGBNUCREU-HOTGVXAUSA-N
HMDB04058,149.047678473,C8H7NO2,OC1=C(O)C=C2C=CNC2=C1,"InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H",SGNZYJXNUURYCH,UHFFFAOYSA,N,"5,6-Dihydroxyindole",SGNZYJXNUURYCH-UHFFFAOYSA-N
HMDB04061,182.057908808,C9H10O4,COC1=C(O)C=CC(=C1)C(O)C=O,"InChI=1S/C9H10O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-5,8,11-12H,1H3",VISAJVAPYPFKCL,UHFFFAOYSA,N,3-Methoxy-4-hydroxyphenylglycolaldehyde,VISAJVAPYPFKCL-UHFFFAOYSA-N
HMDB04062,138.031694058,C7H6O3,OC1=CC(C=O)=C(O)C=C1,"InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H",CLFRCXCBWIQVRN,UHFFFAOYSA,N,Gentisate aldehyde,CLFRCXCBWIQVRN-UHFFFAOYSA-N
HMDB04063,197.105193351,C10H15NO3,CNCC(O)C1=CC(OC)=C(O)C=C1,"InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3",JWJCTZKFYGDABJ,UHFFFAOYSA,N,Metanephrine,JWJCTZKFYGDABJ-UHFFFAOYSA-N
HMDB04067,195.053157781,C9H9NO4,OC(=O)[C@@H]1CC2=CC(O)=C(O)C=C2N1,"InChI=1S/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)/t6-/m0/s1",JDWYRSDDJVCWPB,LURJTMIESA,N,Leucodopachrome,JDWYRSDDJVCWPB-LURJTMIESA-N
HMDB04068,318.064056818,C18H10N2O4,CC1=C2NC=C3C2=C(C2=CNC4=C(C)C(=O)C(=O)C3=C24)C(=O)C1=O,"InChI=1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3",XUMBMVFBXHLACL,UHFFFAOYSA,N,Melanin,XUMBMVFBXHLACL-UHFFFAOYSA-N
HMDB04072,120.057514878,C8H8O,OC1=CC=C(C=C)C=C1,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",FUGYGGDSWSUORM,UHFFFAOYSA,N,4-Hydroxystyrene,FUGYGGDSWSUORM-UHFFFAOYSA-N
HMDB04073,175.063328537,C10H9NO2,OC1=CC2=C(NC=C2CC=O)C=C1,"InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2",OBFAPCIUSYHFIE,UHFFFAOYSA,N,5-Hydroxyindoleacetaldehyde,OBFAPCIUSYHFIE-UHFFFAOYSA-N
HMDB04076,180.089877638,C9H12N2O2,NCCC(=O)C1=C(N)C=CC(O)=C1,"InChI=1S/C9H12N2O2/c10-4-3-9(13)7-5-6(12)1-2-8(7)11/h1-2,5,12H,3-4,10-11H2",JANBBPTXDKFOQR,UHFFFAOYSA,N,5-Hydroxykynurenamine,JANBBPTXDKFOQR-UHFFFAOYSA-N
HMDB04077,161.047678473,C9H7NO2,OC1=CC2=C(O)C=CN=C2C=C1,"InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12)",XFALURCRIGINGT,UHFFFAOYSA,N,"4,6-Dihydroxyquinoline",XFALURCRIGINGT-UHFFFAOYSA-N
HMDB04078,300.038235998,C14H8N2O6,NC1=C(C(O)=O)C2=NC3=C(C=CC=C3OC2=CC1=O)C(O)=O,"InChI=1S/C14H8N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4H,15H2,(H,18,19)(H,20,21)",FSBKJYLVDRVPTK,UHFFFAOYSA,N,Cinnavalininate,FSBKJYLVDRVPTK-UHFFFAOYSA-N
HMDB04080,347.282429433,C22H37NO2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO,"InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-",LGEQQWMQCRIYKG,DOFZRALJSA,N,Anandamide,LGEQQWMQCRIYKG-DOFZRALJSA-N
HMDB04081,248.116092388,C13H16N2O3,COC1=C(O)C=C2NC=C(CCNC(C)=O)C2=C1,"InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)",OMYMRCXOJJZYKE,UHFFFAOYSA,N,6-Hydroxymelatonin,OMYMRCXOJJZYKE-UHFFFAOYSA-N
HMDB04083,223.048072403,C10H9NO5,NC1=C(C=CC=C1O)C(=O)CC(=O)C(O)=O,"InChI=1S/C10H9NO5/c11-9-5(2-1-3-6(9)12)7(13)4-8(14)10(15)16/h1-3,12H,4,11H2,(H,15,16)",YCJNYHCCOXVYAF,UHFFFAOYSA,N,"4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid",YCJNYHCCOXVYAF-UHFFFAOYSA-N
HMDB04085,298.28718046,C19H38O2,CCCCCCCCC(C)CCCCCCCCC(O)=O,"InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",BEOUGZFCUMNGOU,UHFFFAOYSA,N,Tuberculostearic acid,BEOUGZFCUMNGOU-UHFFFAOYSA-N
HMDB04086,252.074621504,C11H12N2O5,NC(CC(=O)C1=C(NC=O)C=CC(O)=C1)C(O)=O,"InChI=1S/C11H12N2O5/c12-8(11(17)18)4-10(16)7-3-6(15)1-2-9(7)13-5-14/h1-3,5,8,15H,4,12H2,(H,13,14)(H,17,18)",LSTOUSIIVKMJBU,UHFFFAOYSA,N,5-Hydroxy-N-formylkynurenine,LSTOUSIIVKMJBU-UHFFFAOYSA-N
HMDB04087,223.136099549,C16H17N,C(C1NCCC2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2",YRYCIFUZSUMAAY,UHFFFAOYSA,N,"1-Benzyl-1,2,3,4-tetrahydroisoquinoline",YRYCIFUZSUMAAY-UHFFFAOYSA-N
HMDB04089,165.042593095,C8H7NO3,OC(=O)C1=CC=CC=C1NC=O,"InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12)",LLLPDUXGHXIXIW,UHFFFAOYSA,N,Formylanthranilic acid,LLLPDUXGHXIXIW-UHFFFAOYSA-N
HMDB04094,133.052763851,C8H7NO,OC1=CNC2=CC=CC=C12,"InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H",PCKPVGOLPKLUHR,UHFFFAOYSA,N,Indoxyl,PCKPVGOLPKLUHR-UHFFFAOYSA-N
HMDB04095,190.11061308,C11H14N2O,COC1=CC2=C(NC=C2CCN)C=C1,"InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3",JTEJPPKMYBDEMY,UHFFFAOYSA,N,5-Methoxytryptamine,JTEJPPKMYBDEMY-UHFFFAOYSA-N
HMDB04096,205.073893223,C11H11NO3,COC1=CC2=C(NC=C2CC(O)=O)C=C1,"InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)",COCNDHOPIHDTHK,UHFFFAOYSA,N,5-Methoxyindoleacetate,COCNDHOPIHDTHK-UHFFFAOYSA-N
HMDB04101,70.053098202,C3H6N2,NCCC#N,"InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2",AGSPXMVUFBBBMO,UHFFFAOYSA,N,Beta-Aminopropionitrile,AGSPXMVUFBBBMO-UHFFFAOYSA-N
HMDB04110,139.987459782,C2H5O5P,OC(=O)CP(O)(O)=O,"InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",XUYJLQHKOGNDPB,UHFFFAOYSA,N,Phosphonoacetate,XUYJLQHKOGNDPB-UHFFFAOYSA-N
HMDB04112,474.964350033,C10H14N5O10PSe,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C10H14N5O10PSe/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1",XCADVMZZFPIERR,KQYNXXCUSA,N,Adenylylselenate,XCADVMZZFPIERR-KQYNXXCUSA-N
HMDB04113,182.979850365,C4H9NO2Se,C[Se]C[C@H](N)C(O)=O,"InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",XDSSPSLGNGIIHP,VKHMYHEASA,N,Se-Methylselenocysteine,XDSSPSLGNGIIHP-VKHMYHEASA-N
HMDB04118,120.903818044,Sb,[Sb+3],InChI=1S/Sb/q+3,FAWGZAFXDJGWBB,UHFFFAOYSA,N,Antimony,FAWGZAFXDJGWBB-UHFFFAOYSA-N
HMDB04119,182.979850365,C4H9NO2Se,NC(CC[SeH])C(O)=O,"InChI=1S/C4H9NO2Se/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)",RCWCGLALNCIQNM,UHFFFAOYSA,N,Selenohomocysteine,RCWCGLALNCIQNM-UHFFFAOYSA-N
HMDB04122,335.912750538,C6H12N2O4Se2,NC(C[Se][Se]CC(N)C(O)=O)C(O)=O,"InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)",JULROCUWKLNBSN,UHFFFAOYSA,N,Selenocystine,JULROCUWKLNBSN-UHFFFAOYSA-N
HMDB04135,518.186022444,C20H30N4O12,N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C20H30N4O12/c21-10(17(29)30)3-6-14(26)23-12(19(33)34)5-8-16(28)24-13(20(35)36)4-7-15(27)22-11(18(31)32)2-1-9-25/h9-13H,1-8,21H2,(H,22,27)(H,23,26)(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t10-,11-,12-,13-/m1/s1",LJVWRHJDEMCHNS,FDYHWXHSSA,N,Poly-g-D-glutamate,LJVWRHJDEMCHNS-FDYHWXHSSA-N
HMDB04136,122.057908808,C4H10O4,OC[C@@H](O)[C@H](O)CO,"InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1",UNXHWFMMPAWVPI,QWWZWVQMSA,N,D-Threitol,UNXHWFMMPAWVPI-QWWZWVQMSA-N
HMDB04138,196.966551609,Au,[Au+],InChI=1S/Au/q+1,ZBKIUFWVEIBQRT,UHFFFAOYSA,N,Gold,ZBKIUFWVEIBQRT-UHFFFAOYSA-N
HMDB04142,137.905241273,Ba,[Ba++],InChI=1S/Ba/q+2,XDFCIPNJCBUZJN,UHFFFAOYSA,N,Barium,XDFCIPNJCBUZJN-UHFFFAOYSA-N
HMDB04143,180.947996346,Ta,[Ta+5],InChI=1S/Ta/q+5,WTKKCYNZRWIVKL,UHFFFAOYSA,N,Tantalum,WTKKCYNZRWIVKL-UHFFFAOYSA-N
HMDB04145,178.074227574,C9H10N2O2,CC1=C(C=C)C(=O)N\C1=C/C(N)=O,"InChI=1S/C9H10N2O2/c1-3-6-5(2)7(4-8(10)12)11-9(6)13/h3-4H,1H2,2H3,(H2,10,12)(H,11,13)/b7-4-",JJDLLVZMTMEVBY,DAXSKMNVSA,N,BOX B,JJDLLVZMTMEVBY-DAXSKMNVSA-N
HMDB04146,178.074227574,C9H10N2O2,CC1=C(C=C)\C(NC1=O)=C\C(N)=O,"InChI=1S/C9H10N2O2/c1-3-6-5(2)9(13)11-7(6)4-8(10)12/h3-4H,1H2,2H3,(H2,10,12)(H,11,13)/b7-4-",OUFUEOCARHOWCD,DAXSKMNVSA,N,BOX A,OUFUEOCARHOWCD-DAXSKMNVSA-N
HMDB04148,233.035793157,C8H11NO5S,NCCC1=CC=C(OS(O)(=O)=O)C(O)=C1,"InChI=1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)",DEKNNWJXAQTLFA,UHFFFAOYSA,N,Dopamine 4-sulfate,DEKNNWJXAQTLFA-UHFFFAOYSA-N
HMDB04149,1003.329223883,C37H64N7O17P3S,CCCCCC\C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9+",QBYOCCWNZAOZTL,MDZDMXLPSA,N,Palmitelaidoyl-CoA,QBYOCCWNZAOZTL-MDZDMXLPSA-N
HMDB04157,596.357385288,C33H48N4O6,CCC1C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(CC)C3C)N2)N1,"InChI=1S/C33H48N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)",VKGRRZVYCXLHII,UHFFFAOYSA,N,L-Urobilinogen,VKGRRZVYCXLHII-UHFFFAOYSA-N
HMDB04158,590.310435096,C33H42N4O6,CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(C=C)=C3C)N2)N1,"InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,26-27,34-35H,2,7,9-15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)",KSQFFJKKJAEKTB,UHFFFAOYSA,N,D-Urobilinogen,KSQFFJKKJAEKTB-UHFFFAOYSA-N
HMDB04159,594.341735224,C33H46N4O6,CCC1C(CC2=N\C(=C\C3=C(CCC(O)=O)C(C)=C(CC4NC(=O)C(CC)C4C)N3)C(CCC(O)=O)=C2C)NC(=O)C1C,"InChI=1S/C33H46N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15-16,19-21,26-27,34H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b29-15+",TYOWQSLRVAUSMI,WKULSOCRSA,N,L-Urobilin,TYOWQSLRVAUSMI-WKULSOCRSA-N
HMDB04160,590.310435096,C33H42N4O6,CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(O)=O,"InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-",KDCCOOGTVSRCHX,MBTHVWNTSA,N,I-Urobilin,KDCCOOGTVSRCHX-MBTHVWNTSA-N
HMDB04161,588.294785032,C33H40N4O6,CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(CC2NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O,"InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,15,26-27,35H,2,7,9-14H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-",DOKCNDVEPDZOJQ,MBTHVWNTSA,N,D-Urobilin,DOKCNDVEPDZOJQ-MBTHVWNTSA-N
HMDB04181,124.063662888,C6H8N2O,CN1C=NC(CC=O)=C1,"InChI=1S/C6H8N2O/c1-8-4-6(2-3-9)7-5-8/h3-5H,2H2,1H3",GCQHUBANENYTLB,UHFFFAOYSA,N,Methylimidazole acetaldehyde,GCQHUBANENYTLB-UHFFFAOYSA-N
HMDB04185,248.079706882,C12H12N2O4,OC(=O)CNC(=O)CC1=CNC2=C1C=C(O)C=C2,"InChI=1S/C12H12N2O4/c15-8-1-2-10-9(4-8)7(5-13-10)3-11(16)14-6-12(17)18/h1-2,4-5,13,15H,3,6H2,(H,14,16)(H,17,18)",LFUCRBSGQMAKCO,UHFFFAOYSA,N,5-Hydroxyindoleacetylglycine,LFUCRBSGQMAKCO-UHFFFAOYSA-N
HMDB04186,163.063328537,C9H9NO2,CC1(O)C(=O)NC2=CC=CC=C12,"InChI=1S/C9H9NO2/c1-9(12)6-4-2-3-5-7(6)10-8(9)11/h2-5,12H,1H3,(H,10,11)",XCHBYBKNFIOSBB,UHFFFAOYSA,N,3-Methyldioxyindole,XCHBYBKNFIOSBB-UHFFFAOYSA-N
HMDB04193,152.05857751,C7H8N2O2,CN1C=C(C=CC1=O)C(N)=O,"InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)",JLQSXXWTCJPCBC,UHFFFAOYSA,N,N1-Methyl-2-pyridone-5-carboxamide,JLQSXXWTCJPCBC-UHFFFAOYSA-N
HMDB04194,152.05857751,C7H8N2O2,CN1C=CC(=O)C(=C1)C(N)=O,"InChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)",KTLRWTOPTKGYQY,UHFFFAOYSA,N,N1-Methyl-4-pyridone-3-carboxamide,KTLRWTOPTKGYQY-UHFFFAOYSA-N
HMDB04195,254.05725688,C7H14N2O6S,N[C@@H](CCC(=O)NCCS(O)(=O)=O)C(O)=O,"InChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1",WGXUDTHMEITUBO,YFKPBYRVSA,N,5-L-Glutamyl-taurine,WGXUDTHMEITUBO-YFKPBYRVSA-N
HMDB04198,450.349780716,C31H46O2,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",MBWXNTAXLNYFJB,NKFFZRIASA,N,Reduced Vitamin K (phylloquinone),MBWXNTAXLNYFJB-NKFFZRIASA-N
HMDB04207,275.148120797,C11H21N3O5,NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O,"InChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-10(17)7(13)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1",BBBXWRGITSUJPB,YUMQZZPRSA,N,L-a-glutamyl-L-Lysine,BBBXWRGITSUJPB-YUMQZZPRSA-N
HMDB04215,244.073558866,C14H12O4,OC1=CC(\C=C\C2=CC(O)=C(O)C=C2)=CC(O)=C1,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",CDRPUGZCRXZLFL,OWOJBTEDSA,N,"3,3',4'5-Tetrahydroxystilbene",CDRPUGZCRXZLFL-OWOJBTEDSA-N
HMDB04220,573.140682731,C20H28N7O9PS,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O,"InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9?,10-,11+,13?,15-,16-,19-/m1/s1",UTQCSTJVMLODHM,CFYKWCKVSA,N,Biotinyl-5'-AMP,UTQCSTJVMLODHM-CFYKWCKVSA-N
HMDB04224,190.106590334,C6H14N4O3,NC(CCC\N=C(/N)NO)C(O)=O,"InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)",FQWRAVYMZULPNK,UHFFFAOYSA,N,N-(o)-Hydroxyarginine,FQWRAVYMZULPNK-UHFFFAOYSA-N
HMDB04225,173.080041233,C6H11N3O3,NC(N)=NCCCC(=O)C(O)=O,"InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)",ARBHXJXXVVHMET,UHFFFAOYSA,N,2-Oxoarginine,ARBHXJXXVVHMET-UHFFFAOYSA-N
HMDB04226,129.078978601,C6H11NO2,CC(=O)NCCCC=O,"InChI=1S/C6H11NO2/c1-6(9)7-4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)",DDSLGZOYEPKPSJ,UHFFFAOYSA,N,N4-Acetylaminobutanal,DDSLGZOYEPKPSJ-UHFFFAOYSA-N
HMDB04230,111.032028409,C5H5NO2,OC(=O)C1=CC=CN1,"InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)",WRHZVMBBRYBTKZ,UHFFFAOYSA,N,Pyrrole-2-carboxylic acid,WRHZVMBBRYBTKZ-UHFFFAOYSA-N
HMDB04231,205.131408101,C9H19NO4,CC(C)(CO)C(O)C(=O)NCCCO,"InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)",SNPLKNRPJHDVJA,UHFFFAOYSA,N,Pantothenol,SNPLKNRPJHDVJA-UHFFFAOYSA-N
HMDB04234,334.214409448,C20H30O4,CCCCC\C=C/CC(=O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1",SJVWVCVZWMJXOK,NOJHDUNKSA,N,12-Keto-leukotriene B4,SJVWVCVZWMJXOK-NOJHDUNKSA-N
HMDB04236,334.214409448,C20H30O4,CCCCC[C@@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m1/s1",PRFXRIUZNKLRHM,RYPCXPIFSA,N,Prostaglandin B2,PRFXRIUZNKLRHM-RYPCXPIFSA-N
HMDB04238,334.214409448,C20H30O4,CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O,"InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1",TUXFWOHFPFBNEJ,GJGHEGAFSA,N,Delta-12-Prostaglandin J2,TUXFWOHFPFBNEJ-GJGHEGAFSA-N
HMDB04239,356.256274262,C20H36O5,CCCCCC(O)CCC1C(O)CC(O)C1C\C=C\CCCC(O)=O,"InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,15-19,21-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4+",LLQBSJQTCKVWTD,QPJJXVBHSA,N,"13,14-Dihydro PGF2a",LLQBSJQTCKVWTD-QPJJXVBHSA-N
HMDB04240,352.224974134,C20H32O5,CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+,19-/m1/s1",LOLJEILMPWPILA,AMFHKTBMSA,N,15-Keto-prostaglandin F2a,LOLJEILMPWPILA-AMFHKTBMSA-N
HMDB04241,368.219888756,C20H32O6,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(O)=O,"InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1",ROUDCKODIMKLNO,CTBSXBMHSA,N,6-Ketoprostaglandin E1,ROUDCKODIMKLNO-CTBSXBMHSA-N
HMDB04242,368.219888756,C20H32O6,CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C\CCCC(O)=O,"InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4+,13-12+/t15-,16-,17-,18+/m0/s1",KJYIVXDPWBUJBQ,SOGWKEBJSA,N,11-Dehydro-thromboxane B2,KJYIVXDPWBUJBQ-SOGWKEBJSA-N
HMDB04243,336.230059512,C20H32O4,CCCCC\C=C/C[C@H](OO)\C=C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1",ZIOZYRSDNLNNNJ,LQWMCKPYSA,N,12(S)-HPETE,ZIOZYRSDNLNNNJ-LQWMCKPYSA-N
HMDB04244,336.230059512,C20H32O4,CCCCC[C@H](OO)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1",BFWYTORDSFIVKP,VAEKSGALSA,N,15(S)-HPETE,BFWYTORDSFIVKP-VAEKSGALSA-N
HMDB04246,1059.561398253,C50H73N15O11,N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1",QXZGBUJJYSLZLT,FDISYFBBSA,N,Bradykinin,QXZGBUJJYSLZLT-FDISYFBBSA-N
HMDB04249,643.9709685,C12H24O22P4,CC(=O)OC(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC(C)=O,"InChI=1S/C12H24O22P4/c1-4(13)29-6(30-5(2)14)3-28-38(26,27)34-9-7(15)10(31-35(17,18)19)12(33-37(23,24)25)11(8(9)16)32-36(20,21)22/h6-12,15-16H,3H2,1-2H3,(H,26,27)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)/t7-,8-,9-,10+,11-,12-/m0/s1",RQQIRMLGKSPXSE,UQPICLANSA,N,"Phosphatidylinositol-3,4,5-trisphosphate",RQQIRMLGKSPXSE-UQPICLANSA-N
HMDB04256,328.101898886,C12H16N4O7,CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1,"InChI=1S/C12H16N4O7/c1-4-11(22)16(2-5(18)8(20)6(19)3-17)9-7(13-4)10(21)15-12(23)14-9/h5-6,8,17-20,22H,2-3H2,1H3,(H,15,21,23)/t5-,6+,8-/m0/s1",COXMGTTXHPRZBO,BBVRLYRLSA,N,7-Hydroxy-6-methyl-8-ribityl lumazine,COXMGTTXHPRZBO-BBVRLYRLSA-N
HMDB04257,947.266623627,C33H56N7O17P3S,CCCCCCCC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h11-12,20-22,26-28,32,43-44H,4-10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b12-11-/t22-,26?,27+,28+,32-/m1/s1",XEMIVMKTVGRFTD,BFJLDWRUSA,N,3Z-dodecenoyl-CoA,XEMIVMKTVGRFTD-BFJLDWRUSA-N
HMDB04258,1061.407474203,C41H74N7O17P3S,CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C41H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t30-,34?,35+,36+,40-/m1/s1",JYLSVNBJLYCSSW,OPBWFHODSA,N,Eicosanoyl-CoA,JYLSVNBJLYCSSW-OPBWFHODSA-N
HMDB04259,264.11100701,C13H16N2O4,COC1=CC(C(=O)CCNC(C)=O)=C(NC=O)C=C1,"InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)",JYWNYMJKURVPFH,UHFFFAOYSA,N,Acetyl-N-formyl-5-methoxykynurenamine,JYWNYMJKURVPFH-UHFFFAOYSA-N
HMDB04264,320.23514489,C20H32O3,CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-",JBSCUHKPLGKXKH,ILYOTBPNSA,N,"14,15-Epoxy-5,8,11-eicosatrienoic acid",JBSCUHKPLGKXKH-ILYOTBPNSA-N
HMDB04270,501.216988221,C18H35N3O13,N[C@H]1[C@H](O)O[C@H](CO)[C@@H](OC2O[C@H](CO)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H]1O,"InChI=1S/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15?,16-,17+,18?/m1/s1",RQFQJYYMBWVMQG,KAPKVSAKSA,N,D-Glucosaminide,RQFQJYYMBWVMQG-KAPKVSAKSA-N
HMDB04284,138.068079564,C8H10O2,OCCC1=CC=C(O)C=C1,"InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2",YCCILVSKPBXVIP,UHFFFAOYSA,N,Tyrosol,YCCILVSKPBXVIP-UHFFFAOYSA-N
HMDB04290,167.058243159,C8H9NO3,CC1=NC=C(C=O)C(CO)=C1O,"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2-3,11-12H,4H2,1H3",GNKXHPULSPWUAK,UHFFFAOYSA,N,Isopyridoxal,GNKXHPULSPWUAK-UHFFFAOYSA-N
HMDB04291,165.042593095,C8H7NO3,CC1=NC=C2C(=O)OCC2=C1O,"InChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3",PPAXBSPBIWBREI,UHFFFAOYSA,N,5-Pyridoxolactone,PPAXBSPBIWBREI-UHFFFAOYSA-N
HMDB04296,71.037113787,C3H5NO,NC(=O)C=C,"InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)",HRPVXLWXLXDGHG,UHFFFAOYSA,N,Acrylamide,HRPVXLWXLXDGHG-UHFFFAOYSA-N
HMDB04304,312.120902994,C15H20O7,[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)([C@H](O)[C@H]1O)[C@@]21CO1,"InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15-/m1/s1",UKOTXHQERFPCBU,YQPARWETSA,N,Nivalenol,UKOTXHQERFPCBU-YQPARWETSA-N
HMDB04305,222.198365454,C15H26O,CC(C)=CCC\C(C)=C\CC\C(C)=C\CO,"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+",CRDAMVZIKSXKFV,YFVJMOTDSA,N,Farnesol,CRDAMVZIKSXKFV-YFVJMOTDSA-N
HMDB04308,196.059640142,C7H8N4O3,CN1C(=O)N(C)C2=C1NC(=O)NC2=O,"InChI=1S/C7H8N4O3/c1-10-3-4(11(2)7(10)14)8-6(13)9-5(3)12/h1-2H3,(H2,8,9,12,13)",ZWFQLYWQCGUUNB,UHFFFAOYSA,N,"7,9-Dimethyluric acid",ZWFQLYWQCGUUNB-UHFFFAOYSA-N
HMDB04309,552.31207458,C30H48O7S,[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(COS(O)(=O)=O)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C30H48O7S/c1-25(2)13-15-30(24(32)33)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(31)27(4,18-37-38(34,35)36)21(26)9-12-29(22,28)6/h7,20-23,31H,8-18H2,1-6H3,(H,32,33)(H,34,35,36)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",XBZYWSMVVKYHQN,MYPRUECHSA,N,Triterpenoid,XBZYWSMVVKYHQN-MYPRUECHSA-N
HMDB04321,136.125200512,C10H16,CC(=C)[C@@H]1CCC(C)=CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",XMGQYMWWDOXHJM,JTQLQIEISA,N,(+)-Limonene,XMGQYMWWDOXHJM-JTQLQIEISA-N
HMDB04326,281.112403993,C11H15N5O4,COC1C(O)C(CO)OC1N1C=NC2=C(N)N=CN=C12,"InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)",FPUGCISOLXNPPC,UHFFFAOYSA,N,2'-O-Methyladenosine,FPUGCISOLXNPPC-UHFFFAOYSA-N
HMDB04327,74.073164942,C4H10O,CCCCO,"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",LRHPLDYGYMQRHN,UHFFFAOYSA,N,1-Butanol,LRHPLDYGYMQRHN-UHFFFAOYSA-N
HMDB04328,224.09094027,C9H12N4O3,CN1C(=O)N(C)C2=C1N(C)C(=O)N(C)C2=O,InChI=1S/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3,QGDOQULISIQFHQ,UHFFFAOYSA,N,Temurin,QGDOQULISIQFHQ-UHFFFAOYSA-N
HMDB04339,125.058911861,C5H7N3O,COC1=NC=CC(N)=N1,"InChI=1S/C5H7N3O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3,(H2,6,7,8)",DHYLZDVDOQLEAQ,UHFFFAOYSA,N,2-O-Methylcytosine,DHYLZDVDOQLEAQ-UHFFFAOYSA-N
HMDB04350,162.115698458,C10H14N2,C1CCC(NC1)C1=CN=CC=C1,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2",MTXSIJUGVMTTMU,UHFFFAOYSA,N,Anabasine,MTXSIJUGVMTTMU-UHFFFAOYSA-N
HMDB04362,156.115029756,C9H16O2,CCCCCC(O)\C=C\C=O,"InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+",JVJFIQYAHPMBBX,FNORWQNLSA,N,4-Hydroxynonenal,JVJFIQYAHPMBBX-FNORWQNLSA-N
HMDB04363,84.03236276,C3H4N2O,O=C1CN=CN1,"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)",CAAMSDWKXXPUJR,UHFFFAOYSA,N,Imidazolone,CAAMSDWKXXPUJR-UHFFFAOYSA-N
HMDB04366,165.115364107,C10H15NO,CN(C)CCC1=CC=C(O)C=C1,"InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3",KUBCEEMXQZUPDQ,UHFFFAOYSA,N,Hordenine,KUBCEEMXQZUPDQ-UHFFFAOYSA-N
HMDB04369,190.11061308,C11H14N2O,CNCCC1=CNC2=C1C=C(O)C=C2,"InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3",ASUSBMNYRHGZIG,UHFFFAOYSA,N,N-Methylserotonin,ASUSBMNYRHGZIG-UHFFFAOYSA-N
HMDB04370,174.115698458,C11H14N2,CNCCC1=CNC2=CC=CC=C12,"InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3",NCIKQJBVUNUXLW,UHFFFAOYSA,N,N-Methyltryptamine,NCIKQJBVUNUXLW-UHFFFAOYSA-N
HMDB04381,389.072311621,C11H20NO12P,[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6+,7+,8+,9+,11?/m0/s1",SQMNIXJSBCSNCI,LUWBGTNYSA,N,N-Acetylneuraminic acid 9-phosphate,SQMNIXJSBCSNCI-LUWBGTNYSA-N
HMDB04385,352.224974134,C20H32O5,CCCCC[C@H](O)\C=C\C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1",IXAQOQZEOGMIQS,SSQFXEBMSA,N,Lipoxin A4,IXAQOQZEOGMIQS-SSQFXEBMSA-N
HMDB04400,198.075290206,C7H10N4O3,CN1C(=O)NC(N)=C(NC(C)=O)C1=O,"InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14)",POQOTWQIYYNXAT,UHFFFAOYSA,N,5-Acetylamino-6-amino-3-methyluracil,POQOTWQIYYNXAT-UHFFFAOYSA-N
HMDB04437,105.078978601,C4H11NO2,OCCNCCO,"InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2",ZBCBWPMODOFKDW,UHFFFAOYSA,N,Diethanolamine,ZBCBWPMODOFKDW-UHFFFAOYSA-N
HMDB04448,352.134444568,C18H24O5S,C[C@@]12CCC3C(CCC4=C3C=CC(OS(O)(=O)=O)=C4)C1CC[C@H]2O,"InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14?,15?,16?,17-,18-/m1/s1",QZIGLSSUDXBTLJ,QGPAGSFOSA,N,Estradiol-17beta 3-sulfate,QZIGLSSUDXBTLJ-QGPAGSFOSA-N
HMDB04461,121.052763851,C7H7NO,NC(=O)C1=CC=CC=C1,"InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)",KXDAEFPNCMNJSK,UHFFFAOYSA,N,Benzamide,KXDAEFPNCMNJSK-UHFFFAOYSA-N
HMDB04472,154.1357652,C10H18O,CC12CCC(CC1)C(C)(C)O2,"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3",WEEGYLXZBRQIMU,UHFFFAOYSA,N,Eucalyptol,WEEGYLXZBRQIMU-UHFFFAOYSA-N
HMDB04476,160.100048394,C10H12N2,C1N[C@@H](CC=C1)C1=CN=CC=C1,"InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1",SOPPBXUYQGUQHE,JTQLQIEISA,N,Anatabine,SOPPBXUYQGUQHE-JTQLQIEISA-N
HMDB04482,448.209718,C24H32O8,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=CC(OC)=C(O[C@@H]4O[C@H](O)[C@@H](O)[C@H](O)[C@H]4O)C=C3CC[C@@]21[H],"InChI=1S/C24H32O8/c1-24-8-7-12-13(15(24)5-6-18(24)25)4-3-11-9-17(16(30-2)10-14(11)12)31-23-21(28)19(26)20(27)22(29)32-23/h9-10,12-13,15,19-23,26-29H,3-8H2,1-2H3/t12-,13+,15-,19-,20-,21+,22-,23+,24-/m0/s1",CLTGLDLWQUZPJU,OOJOVCNMSA,N,2-Methoxyestrone 3-glucuronide,CLTGLDLWQUZPJU-OOJOVCNMSA-N
HMDB04483,446.194067936,C24H30O8,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3CC[C@@]21[H],"InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1",FJAZVHYPASAQKM,JBAURARKSA,N,Estrone glucuronide,FJAZVHYPASAQKM-JBAURARKSA-N
HMDB04484,466.256668192,C25H38O8,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1",VFUIRAVTUVCQTF,SDHZCXLISA,N,Etiocholanolone glucuronide,VFUIRAVTUVCQTF-SDHZCXLISA-N
HMDB04486,450.19362653,C20H36O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,"InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+",OINNEUNVOZHBOX,QIRCYJPOSA,N,Geranylgeranyl-PP,OINNEUNVOZHBOX-QIRCYJPOSA-N
HMDB04487,150.10446507,C10H14O,CC(=C)[C@H]1CC=C(C)C(=O)C1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1",ULDHMXUKGWMISQ,VIFPVBQESA,N,(+)-(S)-Carvone,ULDHMXUKGWMISQ-VIFPVBQESA-N
HMDB04527,499.928709756,C6H16O18P4,O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m1/s1",MRVYFOANPDTYBY,YORTWTKJSA,N,"1D-Myo-inositol 1,4,5,6-tetrakisphosphate",MRVYFOANPDTYBY-YORTWTKJSA-N
HMDB04586,166.099379691,C10H14O2,CC(=C)C1CCC(=CC1)C(O)=O,"InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)",CDSMSBUVCWHORP,UHFFFAOYSA,N,Perillic acid,CDSMSBUVCWHORP-UHFFFAOYSA-N
HMDB04590,276.20893014,C18H28O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](O)CC3=CC[C@@]21[H],"InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1",VVUQRXPUVKXAIO,XFUVECHXSA,N,19-Nor-5-androstenediol,VVUQRXPUVKXAIO-XFUVECHXSA-N
HMDB04601,935.230238121,C31H52N7O18P3S,CC(C)C(=C)CC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C31H52N7O18P3S/c1-16(2)17(3)11-19(39)18(4)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(5,6)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-16,18-20,23-25,29,39,41-42H,3,7-13H2,1-2,4-6H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t18?,19?,20-,23-,24-,25+,29-/m1/s1",LQMGDAUBYDSVAK,VEQIRKQXSA,N,"3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA",LQMGDAUBYDSVAK-VEQIRKQXSA-N
HMDB04610,317.292994119,C18H39NO3,CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",AERBNCYCJBRYDG,KSZLIROESA,N,Phytosphingosine,AERBNCYCJBRYDG-KSZLIROESA-N
HMDB04611,304.203844762,C19H28O3,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1",OLPSAOWBSPXZEA,JIEICEMKSA,N,7a-Hydroxydehydroepiandrosterone,OLPSAOWBSPXZEA-JIEICEMKSA-N
HMDB04620,216.122240398,C8H16N4O3,CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1",SNEIUMQYRCDYCH,LURJTMIESA,N,N-a-Acetyl-L-arginine,SNEIUMQYRCDYCH-LURJTMIESA-N
HMDB04624,304.203844762,C19H28O3,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15-,17-,18-,19-/m0/s1",OLPSAOWBSPXZEA,GCNMQWDSSA,N,7b-Hydroxydehydroepiandrosterone,OLPSAOWBSPXZEA-GCNMQWDSSA-N
HMDB04626,312.20893014,C21H28O2,[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1",OXHNQTSIKGHVBH,ANULTFPQSA,N,Tetrahydrogestrinone,OXHNQTSIKGHVBH-ANULTFPQSA-N
HMDB04627,316.240230268,C21H32O2,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)CC2=CC(=O)CC[C@]12C,"InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1",IVFYLRMMHVYGJH,PVPPCFLZSA,N,Calusterone,IVFYLRMMHVYGJH-PVPPCFLZSA-N
HMDB04628,207.97663585,Pb,[Pb++],InChI=1S/Pb/q+2,RVPVRDXYQKGNMQ,UHFFFAOYSA,N,Lead,RVPVRDXYQKGNMQ-UHFFFAOYSA-N
HMDB04629,258.089208936,C15H14O4,CC(C(=O)C1=C(O)C=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3",JDJPNKPFDDUBFV,UHFFFAOYSA,N,O-Desmethylangolensin,JDJPNKPFDDUBFV-UHFFFAOYSA-N
HMDB04631,344.198759384,C21H28O4,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C=O)=C[C@]12C,"InChI=1S/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1",AMVODTGMYSRMNP,GNIMZFFESA,N,Formebolone,AMVODTGMYSRMNP-GNIMZFFESA-N
HMDB04634,334.169957815,C20H27ClO2,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Cl)C(=O)C=C[C@]12C,"InChI=1S/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1",AGUNEISBPXQOPA,XMUHMHRVSA,N,4-Chloromethandienone,AGUNEISBPXQOPA-XMUHMHRVSA-N
HMDB04645,336.073969576,C10H16N4O7S,N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t5-,6-/m0/s1",HYHSBSXUHZOYLX,WDSKDSINSA,N,S-Nitrosoglutathione,HYHSBSXUHZOYLX-WDSKDSINSA-N
HMDB04649,436.334130652,C30H44O2,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1=CC(=O)C2=CC=CC=C2C1=O,"InChI=1S/C30H44O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24H,8-16,20H2,1-5H3/b25-19+",UDYIPZFWVJJQJF,NCELDCMTSA,N,Demethylphylloquinone,UDYIPZFWVJJQJF-NCELDCMTSA-N
HMDB04659,280.31300128,C20H40,[H][C@@]1(CCCCCCC)CCC[C@]1([H])CCCCCCCC,"InChI=1S/C20H40/c1-3-5-7-9-11-13-16-20-18-14-17-19(20)15-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20+/m1/s1",UKVVPDHLUHAJNZ,UXHICEINSA,N,8-Isoprostane,UKVVPDHLUHAJNZ-UXHICEINSA-N
HMDB04662,337.094370667,C11H19N3O7S,N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1",PIUSLWSYOYFRFR,BQBZGAKWSA,N,S-(Hydroxymethyl)glutathione,PIUSLWSYOYFRFR-BQBZGAKWSA-N
HMDB04666,378.277009704,C23H38O4,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO,"InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-",RCRCTBLIHCHWDZ,DOFZRALJSA,N,2-Arachidonylglycerol,RCRCTBLIHCHWDZ-DOFZRALJSA-N
HMDB04667,296.23514489,C18H32O3,CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1",HNICUWMFWZBIFP,IRQZEAMPSA,N,13S-hydroxyoctadecadienoic acid,HNICUWMFWZBIFP-IRQZEAMPSA-N
HMDB04668,294.219494826,C18H30O3,CCCCCC(=O)\C=C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+",JHXAZBBVQSRKJR,BSZOFBHHSA,N,13-OxoODE,JHXAZBBVQSRKJR-BSZOFBHHSA-N
HMDB04669,294.219494826,C18H30O3,CCCCC\C=C/C=C/C(=O)CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",LUZSWWYKKLTDHU,ZJHFMPGASA,N,9-OxoODE,LUZSWWYKKLTDHU-ZJHFMPGASA-N
HMDB04670,296.23514489,C18H32O3,CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1",NPDSHTNEKLQQIJ,UINYOVNOSA,N,Alpha-dimorphecolic acid,NPDSHTNEKLQQIJ-UINYOVNOSA-N
HMDB04673,320.23514489,C20H32O3,CCCCC\C=C\CC1OC1C\C=C\C\C=C\CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6+,12-9+,13-10+",DXOYQVHGIODESM,ATELOPIESA,N,"11,12-Epoxyeicosatrienoic acid",DXOYQVHGIODESM-ATELOPIESA-N
HMDB04679,320.23514489,C20H32O3,CCCCC\C=C/C\C=C/C=C/[C@@H](O)C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1",NLUNAYAEIJYXRB,VYOQERLCSA,N,8-HETE,NLUNAYAEIJYXRB-VYOQERLCSA-N
HMDB04680,320.23514489,C20H32O3,CCCC[C@@H](O)\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-/t19-/m1/s1",JEKNPVYFNMZRJG,STHMYGMFSA,N,16(R)-HETE,JEKNPVYFNMZRJG-STHMYGMFSA-N
HMDB04682,320.23514489,C20H32O3,CCCCC\C=C/C=C\[C@H](O)C\C=C/C\C=C\CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7-,14-11-,16-13-/t19-/m0/s1",GCZRCCHPLVMMJE,RSPKXIRXSA,N,11(R)-HETE,GCZRCCHPLVMMJE-RSPKXIRXSA-N
HMDB04684,354.240624198,C20H34O5,CCCCC[C@H](O)\C=C\C(O)C(O)C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1",PRMWQIVYOYCJQC,YZSNCDGGSA,N,"11,12,15-THETA",PRMWQIVYOYCJQC-YZSNCDGGSA-N
HMDB04685,354.240624198,C20H34O5,CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19-/m1/s1",VKTIONYPMSCHQI,XAGFEHLVSA,N,"13,14-Dihydro-15-keto PGF2a",VKTIONYPMSCHQI-XAGFEHLVSA-N
HMDB04686,354.240624198,C20H34O5,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17+,19+/m0/s1",GMVPRGQOIOIIMI,JCPCGATGSA,N,8-Isoprostaglandin E1,GMVPRGQOIOIIMI-JCPCGATGSA-N
HMDB04688,336.230059512,C20H32O4,CCCCC\C=C/C[C@@H]1O[C@@H]1\C=C\C(O)C\C=C/CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1",SGTUOBURCVMACZ,CIQDQOFUSA,N,Hepoxilin A3,SGTUOBURCVMACZ-CIQDQOFUSA-N
HMDB04690,336.230059512,C20H32O4,CCCCC\C=C/C[C@@H]1O[C@@H]1C(O)\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1",DWNBPRRXEVJMPO,YZTVQBIISA,N,Hepoxilin B3,DWNBPRRXEVJMPO-YZTVQBIISA-N
HMDB04692,336.230059512,C20H32O4,CCCCC\C=C/C[C@@H](OO)\C=C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1",ZIOZYRSDNLNNNJ,ZYBDYUKJSA,N,12(R)-HPETE,ZIOZYRSDNLNNNJ-ZYBDYUKJSA-N
HMDB04693,336.230059512,C20H32O4,CCCCCC1OC1\C=C\C(O)C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+",WLMZMBKVRPUYIG,LTCHCNGXSA,N,"11H-14,15-EETA",WLMZMBKVRPUYIG-LTCHCNGXSA-N
HMDB04694,354.240624198,C20H34O5,CCCCCC(O)C(O)\C=C\C(O)C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+",YCFPVUKKIWMCJK,LTCHCNGXSA,N,"11,14,15-THETA",YCFPVUKKIWMCJK-LTCHCNGXSA-N
HMDB04696,336.230059512,C20H32O4,CCCCC\C=C/C=C/[C@@H](C\C=C/C\C=C/CCCC(O)=O)OO,"InChI=1S/C20H32O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b9-6-,10-7-,14-11-,16-13+/t19-/m0/s1",PCGWZQXAGFGRTQ,WXMXURGXSA,N,11(R)-HPETE,PCGWZQXAGFGRTQ-WXMXURGXSA-N
HMDB04699,336.230059512,C20H32O4,CCCCC\C=C/C\C=C/C=C/[C@H](C\C=C/CCCC(O)=O)OO,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1",QQUFCXFFOZDXLA,VYOQERLCSA,N,8(S)-HPETE,QQUFCXFFOZDXLA-VYOQERLCSA-N
HMDB04701,296.23514489,C18H32O3,CCCCC\C=C/CC1OC1CCCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-",FBUKMFOXMZRGRB,YFHOEESVSA,N,"9,10-Epoxyoctadecenoic acid",FBUKMFOXMZRGRB-YFHOEESVSA-N
HMDB04702,296.23514489,C18H32O3,CCCCCC1OC1C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-",CCPPLLJZDQAOHD,FLIBITNWSA,N,"12,13-EpOME",CCPPLLJZDQAOHD-FLIBITNWSA-N
HMDB04704,314.245709576,C18H34O4,CCCCC\C=C/CC(O)C(O)CCCCCCCC(O)=O,"InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7-",XEBKSQSGNGRGDW,YFHOEESVSA,N,"9,10-DHOME",XEBKSQSGNGRGDW-YFHOEESVSA-N
HMDB04705,314.245709576,C18H34O4,CCCCCC(O)C(O)C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-",CQSLTKIXAJTQGA,FLIBITNWSA,N,"12,13-DHOME",CQSLTKIXAJTQGA-FLIBITNWSA-N
HMDB04706,312.230059512,C18H32O4,CCCCC\C=C/C\C=C/[C@@H](CCCCCCC(O)=O)OO,"InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6-,14-11-/t17-/m0/s1",RGJSGXNKRWWCOQ,QMEIEYGNSA,N,8(R)-Hydroperoxylinoleic acid,RGJSGXNKRWWCOQ-QMEIEYGNSA-N
HMDB04708,330.240624198,C18H34O5,CCCCC[C@H](O)[C@@H](O)\C=C\[C@@H](O)CCCCCCCC(O)=O,"InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m0/s1",MDIUMSLCYIJBQC,MVFSOIOZSA,N,"9,12,13-TriHOME",MDIUMSLCYIJBQC-MVFSOIOZSA-N
HMDB04710,330.240624198,C18H34O5,CCCCC[C@H](O)\C=C\[C@@H](O)[C@@H](O)CCCCCCCC(O)=O,"InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17+/m0/s1",NTVFQBIHLSPEGQ,SYMVGPSASA,N,"9,10,13-TriHOME",NTVFQBIHLSPEGQ-SYMVGPSASA-N
HMDB04808,298.120509064,C18H18O4,C\C(CCC(O)=O)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O,"InChI=1S/C18H18O4/c1-11(8-10-16(19)20)7-9-13-12(2)17(21)14-5-3-4-6-15(14)18(13)22/h3-7H,8-10H2,1-2H3,(H,19,20)/b11-7-",BCNIZSHMXASUGF,XFFZJAGNSA,N,7C-aglycone,BCNIZSHMXASUGF-XFFZJAGNSA-N
HMDB04810,272.104859,C16H16O4,CC(CCC1=C(C)C(=O)C2=C(C=CC=C2)C1=O)C(O)=O,"InChI=1S/C16H16O4/c1-9(16(19)20)7-8-11-10(2)14(17)12-5-3-4-6-13(12)15(11)18/h3-6,9H,7-8H2,1-2H3,(H,19,20)",ALLYVKRLOHDVKI,UHFFFAOYSA,N,5C-aglycone,ALLYVKRLOHDVKI-UHFFFAOYSA-N
HMDB04811,161.963920164,C6H4Cl2O,OC1=CC=C(Cl)C=C1Cl,"InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",HFZWRUODUSTPEG,UHFFFAOYSA,N,"2,4-Dichlorophenol",HFZWRUODUSTPEG-UHFFFAOYSA-N
HMDB04812,156.005873238,C6H4O5,OC(=O)C1=CC=C(O1)C(O)=O,"InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)",CHTHALBTIRVDBM,UHFFFAOYSA,N,"2,5-Furandicarboxylic acid",CHTHALBTIRVDBM-UHFFFAOYSA-N
HMDB04813,258.08518619,C10H14N2O6,CN1C(=O)C=CN(C2OC(CO)C(O)C2O)C1=O,"InChI=1S/C10H14N2O6/c1-11-6(14)2-3-12(10(11)17)9-8(16)7(15)5(4-13)18-9/h2-3,5,7-9,13,15-16H,4H2,1H3",UTQUILVPBZEHTK,UHFFFAOYSA,N,3-Methyluridine,UTQUILVPBZEHTK-UHFFFAOYSA-N
HMDB04814,114.10446507,C7H14O,CCCC(=O)CCC,"InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3",HCFAJYNVAYBARA,UHFFFAOYSA,N,4-Heptanone,HCFAJYNVAYBARA-UHFFFAOYSA-N
HMDB04815,152.047344122,C8H8O3,CC1=CC(=CC=C1O)C(O)=O,"InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)",LTFHNKUKQYVHDX,UHFFFAOYSA,N,4-Hydroxy-3-methylbenzoic acid,LTFHNKUKQYVHDX-UHFFFAOYSA-N
HMDB04816,153.065059871,C5H7N5O,NC1=NC=NC(N)=C1NC=O,"InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9)",MVYUVUOSXNYQLL,UHFFFAOYSA,N,FAPy-adenine,MVYUVUOSXNYQLL-UHFFFAOYSA-N
HMDB04817,169.073893223,C8H11NO3,NCCC1=CC(O)=C(O)C(O)=C1,"InChI=1S/C8H11NO3/c9-2-1-5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,1-2,9H2",LCAINUZZHIZKKS,UHFFFAOYSA,N,5-Hydroxydopamine,LCAINUZZHIZKKS-UHFFFAOYSA-N
HMDB04818,276.077992322,C10H16N2O5S,[H][C@]12CS(=O)(=O)[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2,"InChI=1S/C10H16N2O5S/c13-8(14)4-2-1-3-7-9-6(5-18(7,16)17)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1",QPFQYMONYBAUCY,ZKWXMUAHSA,N,Biotin sulfone,QPFQYMONYBAUCY-ZKWXMUAHSA-N
HMDB04821,216.05686295,C8H12N2O3S,[H][C@]12CS[C@@H](CCC(O)=O)[C@@]1([H])NC(=O)N2,"InChI=1S/C8H12N2O3S/c11-6(12)2-1-5-7-4(3-14-5)9-8(13)10-7/h4-5,7H,1-3H2,(H,11,12)(H2,9,10,13)/t4-,5-,7-/m0/s1",QDFGCLSCEPNVQP,VPLCAKHXSA,N,Bisnorbiotin,QDFGCLSCEPNVQP-VPLCAKHXSA-N
HMDB04822,214.077598392,C9H14N2O2S,[H][C@]12CS[C@@H](CCC(C)=O)[C@@]1([H])NC(=O)N2,"InChI=1S/C9H14N2O2S/c1-5(12)2-3-7-8-6(4-14-7)10-9(13)11-8/h6-8H,2-4H2,1H3,(H2,10,11,13)/t6-,7-,8-/m0/s1",ITHUGYGPPSVHRH,FXQIFTODSA,N,Methyl bisnorbiotinyl ketone,ITHUGYGPPSVHRH-FXQIFTODSA-N
HMDB04823,189.009578407,C6H7NO4S,OC(=O)C1CSCC(=N1)C(O)=O,"InChI=1S/C6H7NO4S/c8-5(9)3-1-12-2-4(7-3)6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)",XIVVIYYWXOMYOD,UHFFFAOYSA,N,Lanthionine ketimine,XIVVIYYWXOMYOD-UHFFFAOYSA-N
HMDB04824,311.122968679,C12H17N5O5,CN(C)C1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)/t5-,7-,8-,11-/m1/s1",RSPURTUNRHNVGF,IOSLPCCCSA,N,"N2,N2-Dimethylguanosine",RSPURTUNRHNVGF-IOSLPCCCSA-N
HMDB04825,153.078978601,C8H11NO2,NC[C@H](O)C1=CC=C(O)C=C1,"InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1",QHGUCRYDKWKLMG,QMMMGPOBSA,N,p-Octopamine,QHGUCRYDKWKLMG-QMMMGPOBSA-N
HMDB04826,167.094628665,C9H13NO2,CNCC(O)C1=CC=C(O)C=C1,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3",YRCWQPVGYLYSOX,UHFFFAOYSA,N,p-Synephrine,YRCWQPVGYLYSOX-UHFFFAOYSA-N
HMDB04827,143.094628665,C7H13NO2,C[N+]1(C)CCC[C@H]1C([O-])=O,"InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1",CMUNUTVVOOHQPW,LURJTMIESA,N,Proline betaine,CMUNUTVVOOHQPW-LURJTMIESA-N
HMDB04832,887.633391939,C48H89NO13,CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H89NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h17-18,29,31,36-39,41-48,50-52,54-58H,3-16,19-28,30,32-35H2,1-2H3,(H,49,53)/b18-17-,31-29-/t36?,37?,38-,39-,41+,42+,43-,44-,45-,46+,47-,48-/m1/s1",YVBUQOZKCCPFCZ,VTAAUCPCSA,N,Galabiosylceramide (d18:1/9Z-18:1),YVBUQOZKCCPFCZ-VTAAUCPCSA-N
HMDB04833,861.617741875,C46H87NO13,CCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,"InChI=1S/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27-/t34?,35?,36-,37-,39+,40+,41-,42-,43-,44+,45-,46-/m1/s1",HLIJNIKSBCIDGO,UAKVVYPDSA,N,Galabiosylceramide (d18:1/16:0),HLIJNIKSBCIDGO-UAKVVYPDSA-N
HMDB04834,889.649042003,C48H91NO13,CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,"InChI=1S/C48H91NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h29,31,36-39,41-48,50-52,54-58H,3-28,30,32-35H2,1-2H3,(H,49,53)/b31-29-/t36?,37?,38-,39-,41+,42+,43-,44-,45-,46+,47-,48-/m1/s1",VOZHMDQUIRUFQW,NVIQELJCSA,N,Galabiosylceramide (d18:1/18:0),VOZHMDQUIRUFQW-NVIQELJCSA-N
HMDB04835,917.680342131,C50H95NO13,CCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,"InChI=1S/C50H95NO13/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(55)51-38(39(54)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)37-61-49-47(60)45(58)48(41(36-53)63-49)64-50-46(59)44(57)43(56)40(35-52)62-50/h31,33,38-41,43-50,52-54,56-60H,3-30,32,34-37H2,1-2H3,(H,51,55)/b33-31-/t38?,39?,40-,41-,43+,44+,45-,46-,47-,48+,49-,50-/m1/s1",FGJIXPPBZNPEHW,IHCDXCAXSA,N,Galabiosylceramide (d18:1/20:0),FGJIXPPBZNPEHW-IHCDXCAXSA-N
HMDB04836,945.711642259,C52H99NO13,CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,"InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33-/t40?,41?,42-,43-,45+,46+,47-,48-,49-,50+,51-,52-/m1/s1",QYWVASPEUXEHSY,XXHPVCCSSA,N,Galabiosylceramide (d18:1/22:0),QYWVASPEUXEHSY-XXHPVCCSSA-N
HMDB04837,971.727292323,C54H101NO13,CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H101NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-46(59)55-42(43(58)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-65-53-51(64)49(62)52(45(40-57)67-53)68-54-50(63)48(61)47(60)44(39-56)66-54/h17-18,35,37,42-45,47-54,56-58,60-64H,3-16,19-34,36,38-41H2,1-2H3,(H,55,59)/b18-17-,37-35-/t42?,43?,44-,45-,47+,48+,49-,50-,51-,52+,53-,54-/m1/s1",MKOKWBRPIBQYJJ,VVCWLIQZSA,N,Galabiosylceramide (d18:1/24:1(15Z)),MKOKWBRPIBQYJJ-VVCWLIQZSA-N
HMDB04838,999.758592451,C56H105NO13,CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h17-18,37,39,44-47,49-56,58-60,62-66H,3-16,19-36,38,40-43H2,1-2H3,(H,57,61)/b18-17-,39-37-/t44?,45?,46-,47-,49+,50+,51-,52-,53-,54+,55-,56-/m1/s1",ZUFRMROYCSRBIP,SBLSQNJZSA,N,Galabiosylceramide (d18:1/26:1(17Z)),ZUFRMROYCSRBIP-SBLSQNJZSA-N
HMDB04839,1001.774242515,C56H107NO13,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,"InChI=1S/C56H107NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h37,39,44-47,49-56,58-60,62-66H,3-36,38,40-43H2,1-2H3,(H,57,61)/b39-37-/t44?,45?,46-,47-,49+,50+,51-,52-,53-,54+,55-,56-/m1/s1",IQRQEGPSHLXODZ,DFZKWIJMSA,N,Galabiosylceramide (d18:1/26:0),IQRQEGPSHLXODZ-DFZKWIJMSA-N
HMDB04840,973.742942387,C54H103NO13,CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,"InChI=1S/C54H103NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-46(59)55-42(43(58)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-65-53-51(64)49(62)52(45(40-57)67-53)68-54-50(63)48(61)47(60)44(39-56)66-54/h35,37,42-45,47-54,56-58,60-64H,3-34,36,38-41H2,1-2H3,(H,55,59)/b37-35-/t42?,43?,44-,45-,47+,48+,49-,50-,51-,52+,53-,54-/m1/s1",KDEYEEYMIPNKIJ,AEPZXQGCSA,N,Galabiosylceramide (d18:1/24:0),KDEYEEYMIPNKIJ-AEPZXQGCSA-N
HMDB04841,987.758592451,C55H105NO13,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,"InChI=1S/C55H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-47(60)56-43(44(59)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)42-66-54-52(65)50(63)53(46(41-58)68-54)69-55-51(64)49(62)48(61)45(40-57)67-55/h36,38,43-46,48-55,57-59,61-65H,3-35,37,39-42H2,1-2H3,(H,56,60)/b38-36-/t43?,44?,45-,46-,48+,49+,50-,51-,52-,53+,54-,55-/m1/s1",WPIHMWBQRSAMDE,JRHAWULRSA,N,Galabiosylceramide (d18:1/25:0),WPIHMWBQRSAMDE-JRHAWULRSA-N
HMDB04842,1096.650558144,C53H96N2O21,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C53H96N2O21/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(60)34(55-40(63)27-25-23-21-18-13-11-9-7-5-2)32-71-50-45(67)44(66)47(39(31-58)73-50)74-51-46(68)49(43(65)38(30-57)72-51)76-53(52(69)70)28-36(61)41(54-33(3)59)48(75-53)42(64)37(62)29-56/h24,26,34-39,41-51,56-58,60-62,64-68H,4-23,25,27-32H2,1-3H3,(H,54,59)(H,55,63)(H,69,70)/b26-24+/t34-,35+,36-,37+,38+,39+,41+,42+,43-,44+,45?,46+,47+,48?,49-,50+,51-,53-/m0/s1",WWDJRYLWFWMNJE,MDRDOSMGSA,N,Ganglioside GM3 (d18:1/12:0),WWDJRYLWFWMNJE-MDRDOSMGSA-N
HMDB04843,1164.7131584,C58H104N2O21,CCCCCCCCCCCCC\C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCC,"InChI=1S/C58H104N2O21/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-45(68)60-39(40(65)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)37-76-55-50(72)49(71)52(44(36-63)78-55)79-56-51(73)54(48(70)43(35-62)77-56)81-58(57(74)75)33-41(66)46(59-38(3)64)53(80-58)47(69)42(67)34-61/h16,18,29,31,39-44,46-56,61-63,65-67,69-73H,4-15,17,19-28,30,32-37H2,1-3H3,(H,59,64)(H,60,68)(H,74,75)/b18-16-,31-29-/t39-,40+,41-,42+,43+,44+,46+,47+,48-,49+,50+,51+,52+,53-,54-,55+,56-,58-/m0/s1",DTVMNFBOVVZUJQ,MGNOIPMISA,N,Ganglioside GM3 (d18:1/9Z-18:1),DTVMNFBOVVZUJQ-MGNOIPMISA-N
HMDB04844,1152.7131584,C57H104N2O21,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C57H104N2O21/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(64)38(59-44(67)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-75-54-49(71)48(70)51(43(35-62)77-54)78-55-50(72)53(47(69)42(34-61)76-55)80-57(56(73)74)32-40(65)45(58-37(3)63)52(79-57)46(68)41(66)33-60/h28,30,38-43,45-55,60-62,64-66,68-72H,4-27,29,31-36H2,1-3H3,(H,58,63)(H,59,67)(H,73,74)/b30-28+/t38-,39+,40-,41+,42+,43+,45+,46+,47-,48+,49?,50+,51+,52?,53-,54+,55-,57-/m0/s1",NURCPIMQAUMKKZ,FZOQRHEPSA,N,Ganglioside GM3 (d18:1/16:0),NURCPIMQAUMKKZ-FZOQRHEPSA-N
HMDB04845,1180.744458528,C59H108N2O21,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C59H108N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h30,32,40-45,47-57,62-64,66-68,70-74H,4-29,31,33-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/b32-30+/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51?,52+,53+,54?,55-,56+,57-,59-/m0/s1",UIKPUUZBQYTDRX,TZRPUUGGSA,N,Ganglioside GM3 (d18:1/18:0),UIKPUUZBQYTDRX-TZRPUUGGSA-N
HMDB04846,1208.775758656,C61H112N2O21,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C61H112N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-48(71)63-42(43(68)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)40-79-58-53(75)52(74)55(47(39-66)81-58)82-59-54(76)57(51(73)46(38-65)80-59)84-61(60(77)78)36-44(69)49(62-41(3)67)56(83-61)50(72)45(70)37-64/h32,34,42-47,49-59,64-66,68-70,72-76H,4-31,33,35-40H2,1-3H3,(H,62,67)(H,63,71)(H,77,78)/b34-32+/t42-,43+,44-,45+,46+,47+,49+,50+,51-,52+,53?,54+,55+,56?,57-,58+,59-,61-/m0/s1",SIJZEDYROBAHFV,DSRQLKEMSA,N,Ganglioside GM3 (d18:1/20:0),SIJZEDYROBAHFV-DSRQLKEMSA-N
HMDB04847,1236.807058784,C63H116N2O21,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C63H116N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(73)65-44(45(70)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-81-60-55(77)54(76)57(49(41-68)83-60)84-61-56(78)59(53(75)48(40-67)82-61)86-63(62(79)80)38-46(71)51(64-43(3)69)58(85-63)52(74)47(72)39-66/h34,36,44-49,51-61,66-68,70-72,74-78H,4-33,35,37-42H2,1-3H3,(H,64,69)(H,65,73)(H,79,80)/b36-34+/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55?,56+,57+,58?,59-,60+,61-,63-/m0/s1",KTKHFEPBOUGPQO,SZKLBNLVSA,N,Ganglioside GM3 (d18:1/22:0),KTKHFEPBOUGPQO-SZKLBNLVSA-N
HMDB04848,1262.822708848,C65H118N2O21,CCCCCCCCCCCCC\C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC\C=C/CCCCCCCCC,"InChI=1S/C65H118N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(75)67-46(47(72)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-83-62-57(79)56(78)59(51(43-70)85-62)86-63-58(80)61(55(77)50(42-69)84-63)88-65(64(81)82)40-48(73)53(66-45(3)71)60(87-65)54(76)49(74)41-68/h19-20,36,38,46-51,53-63,68-70,72-74,76-80H,4-18,21-35,37,39-44H2,1-3H3,(H,66,71)(H,67,75)(H,81,82)/b20-19-,38-36-/t46-,47+,48-,49+,50+,51+,53+,54+,55-,56+,57+,58+,59+,60-,61-,62+,63-,65-/m0/s1",BGMMKNTYKZAIDF,DJCHRBTISA,N,Ganglioside GM3 (d18:1/24:1(15Z)),BGMMKNTYKZAIDF-DJCHRBTISA-N
HMDB04849,1290.854008976,C67H122N2O21,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(77)69-48(49(74)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-85-64-59(81)58(80)61(53(45-72)87-64)88-65-60(82)63(57(79)52(44-71)86-65)90-67(66(83)84)42-50(75)55(68-47(3)73)62(89-67)56(78)51(76)43-70/h18-19,38,40,48-53,55-65,70-72,74-76,78-82H,4-17,20-37,39,41-46H2,1-3H3,(H,68,73)(H,69,77)(H,83,84)/b19-18-,40-38+/t48-,49+,50-,51+,52+,53+,55+,56+,57-,58+,59?,60+,61+,62?,63-,64+,65-,67-/m0/s1",ALUZLPHXEHUCNV,BKPSSSRXSA,N,Ganglioside GM3 (d18:1/26:1(17Z))),ALUZLPHXEHUCNV-BKPSSSRXSA-N
HMDB04850,1292.86965904,C67H124N2O21,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C67H124N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(77)69-48(49(74)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-85-64-59(81)58(80)61(53(45-72)87-64)88-65-60(82)63(57(79)52(44-71)86-65)90-67(66(83)84)42-50(75)55(68-47(3)73)62(89-67)56(78)51(76)43-70/h38,40,48-53,55-65,70-72,74-76,78-82H,4-37,39,41-46H2,1-3H3,(H,68,73)(H,69,77)(H,83,84)/b40-38+/t48-,49+,50-,51+,52+,53+,55+,56+,57-,58+,59?,60+,61+,62?,63-,64+,65-,67-/m0/s1",KUZGBHWLNZXNOA,FRYLYKAYSA,N,Ganglioside GM3 (d18:1/26:0),KUZGBHWLNZXNOA-FRYLYKAYSA-N
HMDB04851,1264.838358912,C65H120N2O21,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C65H120N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(75)67-46(47(72)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-83-62-57(79)56(78)59(51(43-70)85-62)86-63-58(80)61(55(77)50(42-69)84-63)88-65(64(81)82)40-48(73)53(66-45(3)71)60(87-65)54(76)49(74)41-68/h36,38,46-51,53-63,68-70,72-74,76-80H,4-35,37,39-44H2,1-3H3,(H,66,71)(H,67,75)(H,81,82)/b38-36+/t46-,47+,48-,49+,50+,51+,53+,54+,55-,56+,57?,58+,59+,60?,61-,62+,63-,65-/m0/s1",JUZJEIYRVNAPCT,MVZMHTFCSA,N,Ganglioside GM3 (d18:1/24:0),JUZJEIYRVNAPCT-MVZMHTFCSA-N
HMDB04852,1278.854008976,C66H122N2O21,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C66H122N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-53(76)68-47(48(73)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)45-84-63-58(80)57(79)60(52(44-71)86-63)87-64-59(81)62(56(78)51(43-70)85-64)89-66(65(82)83)41-49(74)54(67-46(3)72)61(88-66)55(77)50(75)42-69/h37,39,47-52,54-64,69-71,73-75,77-81H,4-36,38,40-45H2,1-3H3,(H,67,72)(H,68,76)(H,82,83)/b39-37+/t47-,48+,49-,50+,51+,52+,54+,55+,56-,57+,58?,59+,60+,61?,62-,63+,64-,66-/m0/s1",ASEFIJLVWPPUEV,IKCSAGMFSA,N,Ganglioside GM3 (d18:1/25:0),ASEFIJLVWPPUEV-IKCSAGMFSA-N
HMDB04853,1461.782754105,C67H119N3O31,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C67H119N3O31/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-39(78)38(70-46(81)28-26-24-22-19-14-12-10-8-6-2)35-92-63-55(88)53(86)57(44(33-74)95-63)97-65-56(89)61(101-67(66(90)91)29-40(79)47(68-36(3)76)60(100-67)49(82)41(80)30-71)58(45(34-75)96-65)98-62-48(69-37(4)77)59(51(84)43(32-73)93-62)99-64-54(87)52(85)50(83)42(31-72)94-64/h25,27,38-45,47-65,71-75,78-80,82-89H,5-24,26,28-35H2,1-4H3,(H,68,76)(H,69,77)(H,70,81)(H,90,91)/b27-25+/t38-,39+,40-,41-,42+,43+,44+,45+,47+,48+,49-,50-,51-,52-,53+,54+,55?,56+,57+,58-,59+,60?,61+,62-,63+,64-,65-,67-/m0/s1",IGYLDXYJGKHLKB,NLEMAKTLSA,N,Ganglioside GM1 (18:1/12:0),IGYLDXYJGKHLKB-NLEMAKTLSA-N
HMDB04854,1543.861004425,C73H129N3O31,CCCCCCCCCCCCC\C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@H](O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H129N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-98-69-61(94)59(92)63(50(39-80)101-69)103-71-62(95)67(107-73(72(96)97)35-46(85)53(74-42(3)82)66(106-73)55(88)47(86)36-77)64(51(40-81)102-71)104-68-54(75-43(4)83)65(57(90)49(38-79)99-68)105-70-60(93)58(91)56(89)48(37-78)100-70/h19-20,31,33,44-51,53-71,77-81,84-86,88-95H,5-18,21-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)(H,96,97)/b20-19-,33-31-/t44-,45+,46+,47+,48-,49-,50-,51-,53-,54-,55+,56+,57+,58+,59-,60-,61-,62-,63-,64+,65-,66+,67-,68+,69-,70+,71+,73+/m1/s1",GKNKBTFUDIUEPH,DAJNGDRVSA,N,Ganglioside GM1 (18:1/9Z-18:1),GKNKBTFUDIUEPH-DAJNGDRVSA-N
HMDB04855,1517.845354361,C71H127N3O31,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C71H127N3O31/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(82)42(74-50(85)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-96-67-59(92)57(90)61(48(37-78)99-67)101-69-60(93)65(105-71(70(94)95)33-44(83)51(72-40(3)80)64(104-71)53(86)45(84)34-75)62(49(38-79)100-69)102-66-52(73-41(4)81)63(55(88)47(36-77)97-66)103-68-58(91)56(89)54(87)46(35-76)98-68/h29,31,42-49,51-69,75-79,82-84,86-93H,5-28,30,32-39H2,1-4H3,(H,72,80)(H,73,81)(H,74,85)(H,94,95)/b31-29+/t42-,43+,44-,45-,46+,47+,48+,49+,51+,52+,53-,54-,55-,56-,57+,58+,59?,60+,61+,62-,63+,64?,65+,66-,67+,68-,69-,71-/m0/s1",BWZAKDPPVXHOTB,TWDSFERASA,N,Ganglioside GM1 (18:1/16:0),BWZAKDPPVXHOTB-TWDSFERASA-N
HMDB04856,1545.876654489,C73H131N3O31,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C73H131N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-98-69-61(94)59(92)63(50(39-80)101-69)103-71-62(95)67(107-73(72(96)97)35-46(85)53(74-42(3)82)66(106-73)55(88)47(86)36-77)64(51(40-81)102-71)104-68-54(75-43(4)83)65(57(90)49(38-79)99-68)105-70-60(93)58(91)56(89)48(37-78)100-70/h31,33,44-51,53-71,77-81,84-86,88-95H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)(H,96,97)/b33-31+/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55-,56-,57-,58-,59+,60+,61?,62+,63+,64-,65+,66?,67+,68-,69+,70-,71-,73-/m0/s1",QPJBWNIQKHGLAU,CASQIDLISA,N,Ganglioside GM1 (18:1/18:0),QPJBWNIQKHGLAU-CASQIDLISA-N
HMDB04857,1573.907954617,C75H135N3O31,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C75H135N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(89)78-46(47(86)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-100-71-63(96)61(94)65(52(41-82)103-71)105-73-64(97)69(109-75(74(98)99)37-48(87)55(76-44(3)84)68(108-75)57(90)49(88)38-79)66(53(42-83)104-73)106-70-56(77-45(4)85)67(59(92)51(40-81)101-70)107-72-62(95)60(93)58(91)50(39-80)102-72/h33,35,46-53,55-73,79-83,86-88,90-97H,5-32,34,36-43H2,1-4H3,(H,76,84)(H,77,85)(H,78,89)(H,98,99)/b35-33+/t46-,47+,48-,49-,50+,51+,52+,53+,55+,56+,57-,58-,59-,60-,61+,62+,63?,64+,65+,66-,67+,68?,69+,70-,71+,72-,73-,75-/m0/s1",OBQWPWBDUBYLGY,ABLKESOMSA,N,Ganglioside GM1 (18:1/20:0),OBQWPWBDUBYLGY-ABLKESOMSA-N
HMDB04858,1601.939254745,C77H139N3O31,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C77H139N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(91)80-48(49(88)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-102-73-65(98)63(96)67(54(43-84)105-73)107-75-66(99)71(111-77(76(100)101)39-50(89)57(78-46(3)86)70(110-77)59(92)51(90)40-81)68(55(44-85)106-75)108-72-58(79-47(4)87)69(61(94)53(42-83)103-72)109-74-64(97)62(95)60(93)52(41-82)104-74/h35,37,48-55,57-75,81-85,88-90,92-99H,5-34,36,38-45H2,1-4H3,(H,78,86)(H,79,87)(H,80,91)(H,100,101)/b37-35+/t48-,49+,50-,51-,52+,53+,54+,55+,57+,58+,59-,60-,61-,62-,63+,64+,65?,66+,67+,68-,69+,70?,71+,72-,73+,74-,75-,77-/m0/s1",JAHOWBLJDGAXHZ,BKUPIOQXSA,N,Ganglioside GM1 (18:1/22:0),JAHOWBLJDGAXHZ-BKUPIOQXSA-N
HMDB04859,1627.954904809,C79H141N3O31,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C79H141N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(93)82-50(51(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-104-75-67(100)65(98)69(56(45-86)107-75)109-77-68(101)73(113-79(78(102)103)41-52(91)59(80-48(3)88)72(112-79)61(94)53(92)42-83)70(57(46-87)108-77)110-74-60(81-49(4)89)71(63(96)55(44-85)105-74)111-76-66(99)64(97)62(95)54(43-84)106-76/h19-20,37,39,50-57,59-77,83-87,90-92,94-101H,5-18,21-36,38,40-47H2,1-4H3,(H,80,88)(H,81,89)(H,82,93)(H,102,103)/b20-19-,39-37+/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61-,62-,63-,64-,65+,66+,67?,68+,69+,70-,71+,72?,73+,74-,75+,76-,77-,79-/m0/s1",LBZARWBJHQZHMC,FYWSBHPVSA,N,Ganglioside GM1 (d18:1/24:1(15Z)),LBZARWBJHQZHMC-FYWSBHPVSA-N
HMDB04860,1655.986204937,C81H145N3O31,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-69(102)67(100)71(58(47-88)109-77)111-79-70(103)75(115-81(80(104)105)43-54(93)61(82-50(3)90)74(114-81)63(96)55(94)44-85)72(59(48-89)110-79)112-76-62(83-51(4)91)73(65(98)57(46-87)107-76)113-78-68(101)66(99)64(97)56(45-86)108-78/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63-,64-,65-,66-,67+,68+,69?,70+,71+,72-,73+,74?,75+,76-,77+,78-,79-,81-/m0/s1",LWKAIUDCOYXKLE,WCAQUBLLSA,N,Ganglioside GM1 (d18:1/26:1(17Z))),LWKAIUDCOYXKLE-WCAQUBLLSA-N
HMDB04861,1658.001855001,C81H147N3O31,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C81H147N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-69(102)67(100)71(58(47-88)109-77)111-79-70(103)75(115-81(80(104)105)43-54(93)61(82-50(3)90)74(114-81)63(96)55(94)44-85)72(59(48-89)110-79)112-76-62(83-51(4)91)73(65(98)57(46-87)107-76)113-78-68(101)66(99)64(97)56(45-86)108-78/h39,41,52-59,61-79,85-89,92-94,96-103H,5-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b41-39+/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63-,64-,65-,66-,67+,68+,69?,70+,71+,72-,73+,74?,75+,76-,77+,78-,79-,81-/m0/s1",OYSKYJRTPJECNK,LESCRFLNSA,N,Ganglioside GM1 (d18:1/26:0),OYSKYJRTPJECNK-LESCRFLNSA-N
HMDB04863,1629.970554873,C79H143N3O31,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C79H143N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(93)82-50(51(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-104-75-67(100)65(98)69(56(45-86)107-75)109-77-68(101)73(113-79(78(102)103)41-52(91)59(80-48(3)88)72(112-79)61(94)53(92)42-83)70(57(46-87)108-77)110-74-60(81-49(4)89)71(63(96)55(44-85)105-74)111-76-66(99)64(97)62(95)54(43-84)106-76/h37,39,50-57,59-77,83-87,90-92,94-101H,5-36,38,40-47H2,1-4H3,(H,80,88)(H,81,89)(H,82,93)(H,102,103)/b39-37+/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61-,62-,63-,64-,65+,66+,67?,68+,69+,70-,71+,72?,73+,74-,75+,76-,77-,79-/m0/s1",BQYSWDAYQYMAJC,PNOBQOFGSA,N,Ganglioside GM1 (d18:1/24:0),BQYSWDAYQYMAJC-PNOBQOFGSA-N
HMDB04865,1643.986204937,C80H145N3O31,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C80H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-59(94)83-51(52(91)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)48-105-76-68(101)66(99)70(57(46-87)108-76)110-78-69(102)74(114-80(79(103)104)42-53(92)60(81-49(3)89)73(113-80)62(95)54(93)43-84)71(58(47-88)109-78)111-75-61(82-50(4)90)72(64(97)56(45-86)106-75)112-77-67(100)65(98)63(96)55(44-85)107-77/h38,40,51-58,60-78,84-88,91-93,95-102H,5-37,39,41-48H2,1-4H3,(H,81,89)(H,82,90)(H,83,94)(H,103,104)/b40-38+/t51-,52+,53-,54-,55+,56+,57+,58+,60+,61+,62-,63-,64-,65-,66+,67+,68?,69+,70+,71-,72+,73?,74+,75-,76+,77-,78-,80-/m0/s1",CCGHVWKRRBLSGJ,OHTMIQAHSA,N,Ganglioside GM1 (d18:1/25:0),CCGHVWKRRBLSGJ-OHTMIQAHSA-N
HMDB04866,805.555141619,C42H79NO13,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C42H79NO13/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-31(46)30(43-34(47)26-24-22-20-17-12-10-8-6-4-2)29-53-41-39(52)37(50)40(33(28-45)55-41)56-42-38(51)36(49)35(48)32(27-44)54-42/h23,25,30-33,35-42,44-46,48-52H,3-22,24,26-29H2,1-2H3,(H,43,47)/b25-23+/t30-,31+,32+,33+,35-,36-,37+,38+,39?,40+,41+,42-/m0/s1",KNWHKVBHCLQVFX,QXWNENIHSA,N,Lactosylceramide (d18:1/12:0),KNWHKVBHCLQVFX-QXWNENIHSA-N
HMDB04872,971.727292323,C54H101NO13,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H101NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-46(59)55-42(43(58)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-65-53-51(64)49(62)52(45(40-57)67-53)68-54-50(63)48(61)47(60)44(39-56)66-54/h17-18,35,37,42-45,47-54,56-58,60-64H,3-16,19-34,36,38-41H2,1-2H3,(H,55,59)/b18-17-,37-35+/t42-,43+,44+,45+,47-,48-,49+,50+,51?,52+,53+,54-/m0/s1",MKOKWBRPIBQYJJ,LWQSSKHKSA,N,Lactosylceramide (d18:1/24:1(15Z)),MKOKWBRPIBQYJJ-LWQSSKHKSA-N
HMDB04873,999.758592451,C56H105NO13,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h17-18,37,39,44-47,49-56,58-60,62-66H,3-16,19-36,38,40-43H2,1-2H3,(H,57,61)/b18-17-,39-37+/t44-,45+,46+,47+,49-,50-,51+,52+,53?,54+,55+,56-/m0/s1",ZUFRMROYCSRBIP,HUMXCGMZSA,N,Lactosylceramide (d18:1/26:1(17Z)),ZUFRMROYCSRBIP-HUMXCGMZSA-N
HMDB04874,1001.774242515,C56H107NO13,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C56H107NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h37,39,44-47,49-56,58-60,62-66H,3-36,38,40-43H2,1-2H3,(H,57,61)/b39-37+/t44-,45+,46+,47+,49-,50-,51+,52+,53?,54+,55+,56-/m0/s1",IQRQEGPSHLXODZ,LTCFFSHHSA,N,Lactosylceramide (d18:1/26:0),IQRQEGPSHLXODZ-LTCFFSHHSA-N
HMDB04876,987.758592451,C55H105NO13,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C55H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-47(60)56-43(44(59)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)42-66-54-52(65)50(63)53(46(41-58)68-54)69-55-51(64)49(62)48(61)45(40-57)67-55/h36,38,43-46,48-55,57-59,61-65H,3-35,37,39-42H2,1-2H3,(H,56,60)/b38-36+/t43-,44+,45+,46+,48-,49-,50+,51+,52?,53+,54+,55-/m0/s1",WPIHMWBQRSAMDE,MYSVSWCJSA,N,Lactosylceramide (d18:1/25:0),WPIHMWBQRSAMDE-MYSVSWCJSA-N
HMDB04877,967.607965049,C48H89NO18,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C48H89NO18/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-32(53)31(49-36(54)26-24-22-20-17-12-10-8-6-4-2)30-62-46-42(60)39(57)44(34(28-51)64-46)67-48-43(61)40(58)45(35(29-52)65-48)66-47-41(59)38(56)37(55)33(27-50)63-47/h23,25,31-35,37-48,50-53,55-61H,3-22,24,26-30H2,1-2H3,(H,49,54)/b25-23+/t31-,32+,33+,34+,35+,37-,38-,39+,40+,41+,42+,43+,44+,45-,46+,47+,48-/m0/s1",HJVQASFQICDJJP,GJXDXCKOSA,N,Trihexosylceramide (d18:1/12:0),HJVQASFQICDJJP-GJXDXCKOSA-N
HMDB04878,1049.686215369,C54H99NO18,CCCCCCCCCCCCC\C=C\C(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1S/C54H99NO18/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(60)55-37(38(59)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-68-52-48(66)45(63)50(40(34-57)70-52)73-54-49(67)46(64)51(41(35-58)71-54)72-53-47(65)44(62)43(61)39(33-56)69-53/h17-18,29,31,37-41,43-54,56-59,61-67H,3-16,19-28,30,32-36H2,1-2H3,(H,55,60)/b18-17+,31-29+",XRPQSEBNLXORQZ,LSUSWXEESA,N,Trihexosylceramide (d18:1/9Z-18:1),XRPQSEBNLXORQZ-LSUSWXEESA-N
HMDB04879,1023.670565305,C52H97NO18,CCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C52H97NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(57)35(53-40(58)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-66-50-46(64)43(61)48(38(32-55)68-50)71-52-47(65)44(62)49(39(33-56)69-52)70-51-45(63)42(60)41(59)37(31-54)67-51/h27,29,35-39,41-52,54-57,59-65H,3-26,28,30-34H2,1-2H3,(H,53,58)/b29-27+",MGOOTGNGBOPVIV,ORIPQNMZSA,N,Trihexosylceramide (d18:1/16:0),MGOOTGNGBOPVIV-ORIPQNMZSA-N
HMDB04880,1051.701865433,C54H101NO18,CCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C54H101NO18/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(60)55-37(38(59)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-68-52-48(66)45(63)50(40(34-57)70-52)73-54-49(67)46(64)51(41(35-58)71-54)72-53-47(65)44(62)43(61)39(33-56)69-53/h29,31,37-41,43-54,56-59,61-67H,3-28,30,32-36H2,1-2H3,(H,55,60)/b31-29+",KWGVNZWSEWAOMI,OWWNRXNESA,N,Trihexosylceramide (d18:1/18:0),KWGVNZWSEWAOMI-OWWNRXNESA-N
HMDB04881,1079.733165561,C56H105NO18,CCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C56H105NO18/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-44(62)57-39(40(61)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)38-70-54-50(68)47(65)52(42(36-59)72-54)75-56-51(69)48(66)53(43(37-60)73-56)74-55-49(67)46(64)45(63)41(35-58)71-55/h31,33,39-43,45-56,58-61,63-69H,3-30,32,34-38H2,1-2H3,(H,57,62)/b33-31+",LQRNTTGLRTZWKM,QOSDPKFLSA,N,Trihexosylceramide (d18:1/20:0),LQRNTTGLRTZWKM-QOSDPKFLSA-N
HMDB04882,1107.764465689,C58H109NO18,CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C58H109NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(64)59-41(42(63)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-72-56-52(70)49(67)54(44(38-61)74-56)77-58-53(71)50(68)55(45(39-62)75-58)76-57-51(69)48(66)47(65)43(37-60)73-57/h33,35,41-45,47-58,60-63,65-71H,3-32,34,36-40H2,1-2H3,(H,59,64)/b35-33+",IPRFVQMZNCETMH,LAPDZXRHSA,N,Trihexosylceramide (d18:1/22:0),IPRFVQMZNCETMH-LAPDZXRHSA-N
HMDB04883,1133.780115753,C60H111NO18,CCCCCCCCCCCCC\C=C\C(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCC\C=C\CCCCCCCC,"InChI=1S/C60H111NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(66)61-43(44(65)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-74-58-54(72)51(69)56(46(40-63)76-58)79-60-55(73)52(70)57(47(41-64)77-60)78-59-53(71)50(68)49(67)45(39-62)75-59/h17-18,35,37,43-47,49-60,62-65,67-73H,3-16,19-34,36,38-42H2,1-2H3,(H,61,66)/b18-17+,37-35+",FZLJBZZCTNZGFA,YOPMPTLHSA,N,Trihexosylceramide (d18:1/24:1(15Z)),FZLJBZZCTNZGFA-YOPMPTLHSA-N
HMDB04884,1163.827065945,C62H117NO18,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+",YWHNDSBMLSKIRV,NHFVQZBWSA,N,Trihexosylceramide (d18:1/26:1(17Z)),YWHNDSBMLSKIRV-NHFVQZBWSA-N
HMDB04886,1135.795765817,C60H113NO18,CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C60H113NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(66)61-43(44(65)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-74-58-54(72)51(69)56(46(40-63)76-58)79-60-55(73)52(70)57(47(41-64)77-60)78-59-53(71)50(68)49(67)45(39-62)75-59/h35,37,43-47,49-60,62-65,67-73H,3-34,36,38-42H2,1-2H3,(H,61,66)/b37-35+",MRVRZXMLIKCXOT,MHAUTQJVSA,N,Trihexosylceramide (d18:1/24:0),MRVRZXMLIKCXOT-MHAUTQJVSA-N
HMDB04887,1149.811415881,C61H115NO18,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C61H115NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-49(67)62-44(45(66)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)43-75-59-55(73)52(70)57(47(41-64)77-59)80-61-56(74)53(71)58(48(42-65)78-61)79-60-54(72)51(69)50(68)46(40-63)76-60/h36,38,44-48,50-61,63-66,68-74H,3-35,37,39-43H2,1-2H3,(H,62,67)/b38-36+",KTCNLGUVWRZEDW,BSKJHSHCSA,N,Trihexosylceramide (d18:1/25:0),KTCNLGUVWRZEDW-BSKJHSHCSA-N
HMDB04888,1008.63451415,C50H92N2O18,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C50H92N2O18/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-34(57)33(52-38(58)27-25-23-21-18-13-11-9-7-5-2)31-65-49-44(63)42(61)47(36(29-54)67-49)70-50-45(64)43(62)46(37(30-55)68-50)69-48-39(51-32(3)56)41(60)40(59)35(28-53)66-48/h24,26,33-37,39-50,53-55,57,59-64H,4-23,25,27-31H2,1-3H3,(H,51,56)(H,52,58)/b26-24+/t33-,34+,35+,36+,37+,39+,40-,41+,42+,43+,44?,45+,46-,47+,48-,49+,50-/m0/s1",XXEIIEJSVKUHCZ,SJVSDXKXSA,N,Ganglioside GA2 (d18:1/12:0),XXEIIEJSVKUHCZ-SJVSDXKXSA-N
HMDB04889,1090.71276447,C56H102N2O18,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H102N2O18/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-44(64)58-39(40(63)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-71-55-50(69)48(67)53(42(35-60)73-55)76-56-51(70)49(68)52(43(36-61)74-56)75-54-45(57-38(3)62)47(66)46(65)41(34-59)72-54/h18-19,30,32,39-43,45-56,59-61,63,65-70H,4-17,20-29,31,33-37H2,1-3H3,(H,57,62)(H,58,64)/b19-18-,32-30+/t39-,40+,41+,42+,43+,45+,46-,47+,48+,49+,50+,51+,52-,53+,54-,55+,56-/m0/s1",SUEZBAAUECMPJR,MQILXBOASA,N,Ganglioside GA2 (d18:1/9Z-18:1),SUEZBAAUECMPJR-MQILXBOASA-N
HMDB04890,1064.697114406,C54H100N2O18,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C54H100N2O18/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(61)37(56-42(62)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-69-53-48(67)46(65)51(40(33-58)71-53)74-54-49(68)47(66)50(41(34-59)72-54)73-52-43(55-36(3)60)45(64)44(63)39(32-57)70-52/h28,30,37-41,43-54,57-59,61,63-68H,4-27,29,31-35H2,1-3H3,(H,55,60)(H,56,62)/b30-28+/t37-,38+,39+,40+,41+,43+,44-,45+,46+,47+,48?,49+,50-,51+,52-,53+,54-/m0/s1",FYUKXZXCRJNQJV,CITTUYONSA,N,Ganglioside GA2 (d18:1/16:0),FYUKXZXCRJNQJV-CITTUYONSA-N
HMDB04891,1092.728414534,C56H104N2O18,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C56H104N2O18/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-44(64)58-39(40(63)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-71-55-50(69)48(67)53(42(35-60)73-55)76-56-51(70)49(68)52(43(36-61)74-56)75-54-45(57-38(3)62)47(66)46(65)41(34-59)72-54/h30,32,39-43,45-56,59-61,63,65-70H,4-29,31,33-37H2,1-3H3,(H,57,62)(H,58,64)/b32-30+/t39-,40+,41+,42+,43+,45+,46-,47+,48+,49+,50?,51+,52-,53+,54-,55+,56-/m0/s1",FOCMISOLVPZNSV,IMTZWJPNSA,N,Ganglioside GA2 (d18:1/18:0),FOCMISOLVPZNSV-IMTZWJPNSA-N
HMDB04892,1120.759714662,C58H108N2O18,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C58H108N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-46(66)60-41(42(65)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)39-73-57-52(71)50(69)55(44(37-62)75-57)78-58-53(72)51(70)54(45(38-63)76-58)77-56-47(59-40(3)64)49(68)48(67)43(36-61)74-56/h32,34,41-45,47-58,61-63,65,67-72H,4-31,33,35-39H2,1-3H3,(H,59,64)(H,60,66)/b34-32+/t41-,42+,43+,44+,45+,47+,48-,49+,50+,51+,52?,53+,54-,55+,56-,57+,58-/m0/s1",HLSJDAQSPFTWRE,XFDPKFKFSA,N,Ganglioside GA2 (d18:1/20:0),HLSJDAQSPFTWRE-XFDPKFKFSA-N
HMDB04893,1148.79101479,C60H112N2O18,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C60H112N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-48(68)62-43(44(67)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)41-75-59-54(73)52(71)57(46(39-64)77-59)80-60-55(74)53(72)56(47(40-65)78-60)79-58-49(61-42(3)66)51(70)50(69)45(38-63)76-58/h34,36,43-47,49-60,63-65,67,69-74H,4-33,35,37-41H2,1-3H3,(H,61,66)(H,62,68)/b36-34+/t43-,44+,45+,46+,47+,49+,50-,51+,52+,53+,54?,55+,56-,57+,58-,59+,60-/m0/s1",WEORQUFMQXRODD,AEFFCRFVSA,N,Ganglioside GA2 (d18:1/22:0),WEORQUFMQXRODD-AEFFCRFVSA-N
HMDB04894,1174.806664854,C62H114N2O18,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H114N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-50(70)64-45(46(69)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)43-77-61-56(75)54(73)59(48(41-66)79-61)82-62-57(76)55(74)58(49(42-67)80-62)81-60-51(63-44(3)68)53(72)52(71)47(40-65)78-60/h18-19,36,38,45-49,51-62,65-67,69,71-76H,4-17,20-35,37,39-43H2,1-3H3,(H,63,68)(H,64,70)/b19-18-,38-36+/t45-,46+,47+,48+,49+,51+,52-,53+,54+,55+,56?,57+,58-,59+,60-,61+,62-/m0/s1",FTTSKPNEBSLOLQ,LYJVXMRDSA,N,Ganglioside GA2 (d18:1/24:1(15Z)),FTTSKPNEBSLOLQ-LYJVXMRDSA-N
HMDB04895,1202.837964982,C64H118N2O18,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C64H118N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-52(72)66-47(48(71)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)45-79-63-58(77)56(75)61(50(43-68)81-63)84-64-59(78)57(76)60(51(44-69)82-64)83-62-53(65-46(3)70)55(74)54(73)49(42-67)80-62/h18-19,38,40,47-51,53-64,67-69,71,73-78H,4-17,20-37,39,41-45H2,1-3H3,(H,65,70)(H,66,72)/b19-18-,40-38+/t47-,48+,49+,50+,51+,53+,54-,55+,56+,57+,58?,59+,60-,61+,62-,63+,64-/m0/s1",RLUQFQOWDXKFCR,MRBIKYDCSA,N,Ganglioside GA2 (d18:1/26:1(17Z)),RLUQFQOWDXKFCR-MRBIKYDCSA-N
HMDB04896,1204.853615046,C64H120N2O18,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C64H120N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-52(72)66-47(48(71)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)45-79-63-58(77)56(75)61(50(43-68)81-63)84-64-59(78)57(76)60(51(44-69)82-64)83-62-53(65-46(3)70)55(74)54(73)49(42-67)80-62/h38,40,47-51,53-64,67-69,71,73-78H,4-37,39,41-45H2,1-3H3,(H,65,70)(H,66,72)/b40-38+/t47-,48+,49+,50+,51+,53+,54-,55+,56+,57+,58?,59+,60-,61+,62-,63+,64-/m0/s1",WKTQYUCWGZXCCW,FGSMPXRASA,N,Ganglioside GA2 (d18:1/26:0),WKTQYUCWGZXCCW-FGSMPXRASA-N
HMDB04897,1176.822314918,C62H116N2O18,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C62H116N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-50(70)64-45(46(69)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)43-77-61-56(75)54(73)59(48(41-66)79-61)82-62-57(76)55(74)58(49(42-67)80-62)81-60-51(63-44(3)68)53(72)52(71)47(40-65)78-60/h36,38,45-49,51-62,65-67,69,71-76H,4-35,37,39-43H2,1-3H3,(H,63,68)(H,64,70)/b38-36+/t45-,46+,47+,48+,49+,51+,52-,53+,54+,55+,56?,57+,58-,59+,60-,61+,62-/m0/s1",XHRLJIMJGVPKKZ,PHASZRSXSA,N,Ganglioside GA2 (d18:1/24:0),XHRLJIMJGVPKKZ-PHASZRSXSA-N
HMDB04898,1190.837964982,C63H118N2O18,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C63H118N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-51(71)65-46(47(70)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)44-78-62-57(76)55(74)60(49(42-67)80-62)83-63-58(77)56(75)59(50(43-68)81-63)82-61-52(64-45(3)69)54(73)53(72)48(41-66)79-61/h37,39,46-50,52-63,66-68,70,72-77H,4-36,38,40-44H2,1-3H3,(H,64,69)(H,65,71)/b39-37+/t46-,47+,48+,49+,50+,52+,53-,54+,55+,56+,57?,58+,59-,60+,61-,62+,63-/m0/s1",KQEYYQSVAUWHOM,AEBCTMJPSA,N,Ganglioside GA2 (d18:1/25:0),KQEYYQSVAUWHOM-AEBCTMJPSA-N
HMDB04900,1170.68733758,C56H102N2O23,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C56H102N2O23/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(64)34(58-40(65)27-25-23-21-18-13-11-9-7-5-2)32-74-54-48(72)45(69)51(38(30-61)77-54)80-56-49(73)46(70)50(39(31-62)78-56)79-53-41(57-33(3)63)52(43(67)37(29-60)75-53)81-55-47(71)44(68)42(66)36(28-59)76-55/h24,26,34-39,41-56,59-62,64,66-73H,4-23,25,27-32H2,1-3H3,(H,57,63)(H,58,65)/b26-24+/t34-,35+,36+,37+,38+,39+,41+,42-,43-,44-,45+,46+,47+,48?,49+,50-,51+,52+,53-,54+,55-,56-/m0/s1",AJJQXLLQPWSINS,ULFCUAASSA,N,Ganglioside GA1 (d18:1/12:0),AJJQXLLQPWSINS-ULFCUAASSA-N
HMDB04901,1252.7655879,C62H112N2O23,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H112N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-54(78)51(75)57(44(36-67)83-60)86-62-55(79)52(76)56(45(37-68)84-62)85-59-47(63-39(3)69)58(49(73)43(35-66)81-59)87-61-53(77)50(74)48(72)42(34-65)82-61/h18-19,30,32,40-45,47-62,65-68,70,72-79H,4-17,20-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b19-18-,32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50-,51+,52+,53+,54+,55+,56-,57+,58+,59-,60+,61-,62-/m0/s1",BHHQVWLVSJTCBS,BOPSZOAYSA,N,Ganglioside GA1 (d18:1/9Z-18:1),BHHQVWLVSJTCBS-BOPSZOAYSA-N
HMDB04902,1226.749937836,C60H110N2O23,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C60H110N2O23/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(68)38(62-44(69)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-78-58-52(76)49(73)55(42(34-65)81-58)84-60-53(77)50(74)54(43(35-66)82-60)83-57-45(61-37(3)67)56(47(71)41(33-64)79-57)85-59-51(75)48(72)46(70)40(32-63)80-59/h28,30,38-43,45-60,63-66,68,70-77H,4-27,29,31-36H2,1-3H3,(H,61,67)(H,62,69)/b30-28+/t38-,39+,40+,41+,42+,43+,45+,46-,47-,48-,49+,50+,51+,52?,53+,54-,55+,56+,57-,58+,59-,60-/m0/s1",OJVSVTBGNHQDJH,LEOVTFLHSA,N,Ganglioside GA1 (d18:1/16:0),OJVSVTBGNHQDJH-LEOVTFLHSA-N
HMDB04903,1254.781237964,C62H114N2O23,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-54(78)51(75)57(44(36-67)83-60)86-62-55(79)52(76)56(45(37-68)84-62)85-59-47(63-39(3)69)58(49(73)43(35-66)81-59)87-61-53(77)50(74)48(72)42(34-65)82-61/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50-,51+,52+,53+,54?,55+,56-,57+,58+,59-,60+,61-,62-/m0/s1",VELGMVLNORPMAO,KFPDIAGVSA,N,Ganglioside GA1 (d18:1/18:0),VELGMVLNORPMAO-KFPDIAGVSA-N
HMDB04904,1282.812538092,C64H118N2O23,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C64H118N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-48(73)66-42(43(72)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)40-82-62-56(80)53(77)59(46(38-69)85-62)88-64-57(81)54(78)58(47(39-70)86-64)87-61-49(65-41(3)71)60(51(75)45(37-68)83-61)89-63-55(79)52(76)50(74)44(36-67)84-63/h32,34,42-47,49-64,67-70,72,74-81H,4-31,33,35-40H2,1-3H3,(H,65,71)(H,66,73)/b34-32+/t42-,43+,44+,45+,46+,47+,49+,50-,51-,52-,53+,54+,55+,56?,57+,58-,59+,60+,61-,62+,63-,64-/m0/s1",PARSTZCBJLHNFB,QLLGPTCFSA,N,Ganglioside GA1 (d18:1/20:0),PARSTZCBJLHNFB-QLLGPTCFSA-N
HMDB04905,1310.84383822,C66H122N2O23,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C66H122N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(75)68-44(45(74)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-84-64-58(82)55(79)61(48(40-71)87-64)90-66-59(83)56(80)60(49(41-72)88-66)89-63-51(67-43(3)73)62(53(77)47(39-70)85-63)91-65-57(81)54(78)52(76)46(38-69)86-65/h34,36,44-49,51-66,69-72,74,76-83H,4-33,35,37-42H2,1-3H3,(H,67,73)(H,68,75)/b36-34+/t44-,45+,46+,47+,48+,49+,51+,52-,53-,54-,55+,56+,57+,58?,59+,60-,61+,62+,63-,64+,65-,66-/m0/s1",SFQALHZMYKXUDN,NNQLCXAVSA,N,Ganglioside GA1 (d18:1/22:0),SFQALHZMYKXUDN-NNQLCXAVSA-N
HMDB04906,1336.859488284,C68H124N2O23,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C68H124N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/h18-19,36,38,46-51,53-68,71-74,76,78-85H,4-17,20-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b19-18-,38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56-,57+,58+,59+,60?,61+,62-,63+,64+,65-,66+,67-,68-/m0/s1",HVSCPOORNCFFOM,FLSKXLKNSA,N,Ganglioside GA1 (d18:1/24:1(15Z)),HVSCPOORNCFFOM-FLSKXLKNSA-N
HMDB04907,1364.890788412,C70H128N2O23,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C70H128N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-62(86)59(83)65(52(44-75)91-68)94-70-63(87)60(84)64(53(45-76)92-70)93-67-55(71-47(3)77)66(57(81)51(43-74)89-67)95-69-61(85)58(82)56(80)50(42-73)90-69/h18-19,38,40,48-53,55-70,73-76,78,80-87H,4-17,20-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b19-18-,40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58-,59+,60+,61+,62?,63+,64-,65+,66+,67-,68+,69-,70-/m0/s1",IUMXYENFRLYSPF,HDWONUQSSA,N,Ganglioside GA1 (d18:1/26:1(17Z)),IUMXYENFRLYSPF-HDWONUQSSA-N
HMDB04908,1366.906438476,C70H130N2O23,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C70H130N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-62(86)59(83)65(52(44-75)91-68)94-70-63(87)60(84)64(53(45-76)92-70)93-67-55(71-47(3)77)66(57(81)51(43-74)89-67)95-69-61(85)58(82)56(80)50(42-73)90-69/h38,40,48-53,55-70,73-76,78,80-87H,4-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58-,59+,60+,61+,62?,63+,64-,65+,66+,67-,68+,69-,70-/m0/s1",UJQDXCBGGCVEGL,QCZYPSBFSA,N,Ganglioside GA1 (d18:1/26:0),UJQDXCBGGCVEGL-QCZYPSBFSA-N
HMDB04909,1338.875138348,C68H126N2O23,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56-,57+,58+,59+,60?,61+,62-,63+,64+,65-,66+,67-,68-/m0/s1",IPMYGQGIBYDLRZ,HAJGBZOKSA,N,Ganglioside GA1 (d18:1/24:0),IPMYGQGIBYDLRZ-HAJGBZOKSA-N
HMDB04910,1352.890788412,C69H128N2O23,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C69H128N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-53(78)71-47(48(77)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)45-87-67-61(85)58(82)64(51(43-74)90-67)93-69-62(86)59(83)63(52(44-75)91-69)92-66-54(70-46(3)76)65(56(80)50(42-73)88-66)94-68-60(84)57(81)55(79)49(41-72)89-68/h37,39,47-52,54-69,72-75,77,79-86H,4-36,38,40-45H2,1-3H3,(H,70,76)(H,71,78)/b39-37+/t47-,48+,49+,50+,51+,52+,54+,55-,56-,57-,58+,59+,60+,61?,62+,63-,64+,65+,66-,67+,68-,69-/m0/s1",LPTRJRLEIDKQII,NMLQSCBASA,N,Ganglioside GA1 (d18:1/25:0),LPTRJRLEIDKQII-NMLQSCBASA-N
HMDB04911,1387.745974669,C64H113N3O29,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C64H113N3O29/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-39(74)38(67-46(78)28-26-24-22-19-14-12-10-8-6-2)35-89-59-53(83)52(82)55(45(34-71)91-59)92-60-54(84)58(50(80)43(32-69)90-60)96-64(62(87)88)30-41(76)48(66-37(4)73)57(95-64)51(81)44(33-70)93-63(61(85)86)29-40(75)47(65-36(3)72)56(94-63)49(79)42(77)31-68/h25,27,38-45,47-60,68-71,74-77,79-84H,5-24,26,28-35H2,1-4H3,(H,65,72)(H,66,73)(H,67,78)(H,85,86)(H,87,88)/b27-25+/t38-,39+,40-,41-,42+,43+,44+,45+,47+,48+,49+,50-,51+,52+,53?,54+,55+,56?,57?,58-,59+,60-,63+,64-/m0/s1",FLBTXIPIINJPIM,KNHVHYCVSA,N,Ganglioside GD3 (d18:1/12:0),FLBTXIPIINJPIM-KNHVHYCVSA-N
HMDB04912,1469.824224989,C70H123N3O29,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C70H123N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h19-20,31,33,44-51,53-66,74-77,80-83,85-90H,5-18,21-30,32,34-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/b20-19-,33-31+/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1",MRXGLRVDPJMCHK,LIULXDIPSA,N,Ganglioside GD3 (d18:1/9Z-18:1),MRXGLRVDPJMCHK-LIULXDIPSA-N
HMDB04913,1443.808574925,C68H121N3O29,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C68H121N3O29/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(78)42(71-50(82)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-93-63-57(87)56(86)59(49(38-75)95-63)96-64-58(88)62(54(84)47(36-73)94-64)100-68(66(91)92)34-45(80)52(70-41(4)77)61(99-68)55(85)48(37-74)97-67(65(89)90)33-44(79)51(69-40(3)76)60(98-67)53(83)46(81)35-72/h29,31,42-49,51-64,72-75,78-81,83-88H,5-28,30,32-39H2,1-4H3,(H,69,76)(H,70,77)(H,71,82)(H,89,90)(H,91,92)/b31-29+/t42-,43+,44-,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57?,58+,59+,60?,61?,62-,63+,64-,67+,68-/m0/s1",WGTSGZPPZIZIMI,SMHGBGSGSA,N,Ganglioside GD3 (d18:1/16:0),WGTSGZPPZIZIMI-SMHGBGSGSA-N
HMDB04914,1471.839875053,C70H125N3O29,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C70H125N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h31,33,44-51,53-66,74-77,80-83,85-90H,5-30,32,34-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/b33-31+/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59?,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1",CSXAHYACQIWDLT,AEBNYCRGSA,N,Ganglioside GD3 (d18:1/18:0),CSXAHYACQIWDLT-AEBNYCRGSA-N
HMDB04915,1499.871175181,C72H129N3O29,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C72H129N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(86)75-46(47(82)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-97-67-61(91)60(90)63(53(42-79)99-67)100-68-62(92)66(58(88)51(40-77)98-68)104-72(70(95)96)38-49(84)56(74-45(4)81)65(103-72)59(89)52(41-78)101-71(69(93)94)37-48(83)55(73-44(3)80)64(102-71)57(87)50(85)39-76/h33,35,46-53,55-68,76-79,82-85,87-92H,5-32,34,36-43H2,1-4H3,(H,73,80)(H,74,81)(H,75,86)(H,93,94)(H,95,96)/b35-33+/t46-,47+,48-,49-,50+,51+,52+,53+,55+,56+,57+,58-,59+,60+,61?,62+,63+,64?,65?,66-,67+,68-,71+,72-/m0/s1",YAUKCYAJCXBWAS,HCCOYYCQSA,N,Ganglioside GD3 (d18:1/20:0),YAUKCYAJCXBWAS-HCCOYYCQSA-N
HMDB04916,1527.902475309,C74H133N3O29,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C74H133N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(88)77-48(49(84)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-99-69-63(93)62(92)65(55(44-81)101-69)102-70-64(94)68(60(90)53(42-79)100-70)106-74(72(97)98)40-51(86)58(76-47(4)83)67(105-74)61(91)54(43-80)103-73(71(95)96)39-50(85)57(75-46(3)82)66(104-73)59(89)52(87)41-78/h35,37,48-55,57-70,78-81,84-87,89-94H,5-34,36,38-45H2,1-4H3,(H,75,82)(H,76,83)(H,77,88)(H,95,96)(H,97,98)/b37-35+/t48-,49+,50-,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63?,64+,65+,66?,67?,68-,69+,70-,73+,74-/m0/s1",AAYRYMHCWIZRLA,ZXTXMZCWSA,N,Ganglioside GD3 (d18:1/22:0),AAYRYMHCWIZRLA-ZXTXMZCWSA-N
HMDB04917,1553.918125373,C76H135N3O29,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C76H135N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(90)79-50(51(86)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-101-71-65(95)64(94)67(57(46-83)103-71)104-72-66(96)70(62(92)55(44-81)102-72)108-76(74(99)100)42-53(88)60(78-49(4)85)69(107-76)63(93)56(45-82)105-75(73(97)98)41-52(87)59(77-48(3)84)68(106-75)61(91)54(89)43-80/h19-20,37,39,50-57,59-72,80-83,86-89,91-96H,5-18,21-36,38,40-47H2,1-4H3,(H,77,84)(H,78,85)(H,79,90)(H,97,98)(H,99,100)/b20-19-,39-37+/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65?,66+,67+,68?,69?,70-,71+,72-,75+,76-/m0/s1",KTMUAIZWYIXNJC,SQRFQOARSA,N,Ganglioside GD3 (d18:1/24:1(15Z)),KTMUAIZWYIXNJC-SQRFQOARSA-N
HMDB04918,1581.949425501,C78H139N3O29,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C78H139N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(92)81-52(53(88)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-103-73-67(97)66(96)69(59(48-85)105-73)106-74-68(98)72(64(94)57(46-83)104-74)110-78(76(101)102)44-55(90)62(80-51(4)87)71(109-78)65(95)58(47-84)107-77(75(99)100)43-54(89)61(79-50(3)86)70(108-77)63(93)56(91)45-82/h19-20,39,41,52-59,61-74,82-85,88-91,93-98H,5-18,21-38,40,42-49H2,1-4H3,(H,79,86)(H,80,87)(H,81,92)(H,99,100)(H,101,102)/b20-19-,41-39+/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67?,68+,69+,70?,71?,72-,73+,74-,77+,78-/m0/s1",ODLSIOMURUFLJN,GBRMOPPMSA,N,Ganglioside GD3 (d18:1/26:1(17Z)),ODLSIOMURUFLJN-GBRMOPPMSA-N
HMDB04919,1583.965075565,C78H141N3O29,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C78H141N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(92)81-52(53(88)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-103-73-67(97)66(96)69(59(48-85)105-73)106-74-68(98)72(64(94)57(46-83)104-74)110-78(76(101)102)44-55(90)62(80-51(4)87)71(109-78)65(95)58(47-84)107-77(75(99)100)43-54(89)61(79-50(3)86)70(108-77)63(93)56(91)45-82/h39,41,52-59,61-74,82-85,88-91,93-98H,5-38,40,42-49H2,1-4H3,(H,79,86)(H,80,87)(H,81,92)(H,99,100)(H,101,102)/b41-39+/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67?,68+,69+,70?,71?,72-,73+,74-,77+,78-/m0/s1",CTPKIDADPPAIDC,ISHKEEEQSA,N,Ganglioside GD3 (d18:1/26:0),CTPKIDADPPAIDC-ISHKEEEQSA-N
HMDB04920,1555.933775437,C76H137N3O29,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C76H137N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(90)79-50(51(86)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-101-71-65(95)64(94)67(57(46-83)103-71)104-72-66(96)70(62(92)55(44-81)102-72)108-76(74(99)100)42-53(88)60(78-49(4)85)69(107-76)63(93)56(45-82)105-75(73(97)98)41-52(87)59(77-48(3)84)68(106-75)61(91)54(89)43-80/h37,39,50-57,59-72,80-83,86-89,91-96H,5-36,38,40-47H2,1-4H3,(H,77,84)(H,78,85)(H,79,90)(H,97,98)(H,99,100)/b39-37+/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65?,66+,67+,68?,69?,70-,71+,72-,75+,76-/m0/s1",SBFBJTPSDBNJKB,YDWOKLQZSA,N,Ganglioside GD3 (d18:1/24:0),SBFBJTPSDBNJKB-YDWOKLQZSA-N
HMDB04921,1569.949425501,C77H139N3O29,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C77H139N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-59(91)80-51(52(87)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)48-102-72-66(96)65(95)68(58(47-84)104-72)105-73-67(97)71(63(93)56(45-82)103-73)109-77(75(100)101)43-54(89)61(79-50(4)86)70(108-77)64(94)57(46-83)106-76(74(98)99)42-53(88)60(78-49(3)85)69(107-76)62(92)55(90)44-81/h38,40,51-58,60-73,81-84,87-90,92-97H,5-37,39,41-48H2,1-4H3,(H,78,85)(H,79,86)(H,80,91)(H,98,99)(H,100,101)/b40-38+/t51-,52+,53-,54-,55+,56+,57+,58+,60+,61+,62+,63-,64+,65+,66?,67+,68+,69?,70?,71-,72+,73-,76+,77-/m0/s1",JPESBGCWGOEENH,WVACAQQXSA,N,Ganglioside GD3 (d18:1/25:0),JPESBGCWGOEENH-WVACAQQXSA-N
HMDB04923,1590.8253472,C72H126N4O34,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C72H126N4O34/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-42(85)41(76-50(89)29-27-25-23-20-15-13-11-9-7-2)37-101-67-59(95)58(94)61(48(35-80)103-67)105-68-60(96)65(62(49(36-81)104-68)106-66-53(75-40(5)84)57(93)55(91)46(33-78)102-66)110-72(70(99)100)31-44(87)52(74-39(4)83)64(109-72)56(92)47(34-79)107-71(69(97)98)30-43(86)51(73-38(3)82)63(108-71)54(90)45(88)32-77/h26,28,41-49,51-68,77-81,85-88,90-96H,6-25,27,29-37H2,1-5H3,(H,73,82)(H,74,83)(H,75,84)(H,76,89)(H,97,98)(H,99,100)/b28-26+/t41-,42+,43-,44-,45+,46+,47+,48+,49+,51+,52+,53+,54+,55-,56+,57+,58+,59+,60+,61+,62-,63?,64?,65+,66-,67+,68-,71+,72-/m0/s1",QKPAJXFOKUIAMW,VLNSZMGOSA,N,Ganglioside GD2 (d18:1/12:0),QKPAJXFOKUIAMW-VLNSZMGOSA-N
HMDB04924,1672.90359752,C78H136N4O34,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C78H136N4O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-56(95)82-47(48(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-107-73-65(101)64(100)67(54(41-86)109-73)111-74-66(102)71(68(55(42-87)110-74)112-72-59(81-46(5)90)63(99)61(97)52(39-84)108-72)116-78(76(105)106)37-50(93)58(80-45(4)89)70(115-78)62(98)53(40-85)113-77(75(103)104)36-49(92)57(79-44(3)88)69(114-77)60(96)51(94)38-83/h20-21,32,34,47-55,57-74,83-87,91-94,96-102H,6-19,22-31,33,35-43H2,1-5H3,(H,79,88)(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b21-20-,34-32+/t47-,48+,49-,50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67+,68-,69?,70?,71+,72-,73+,74-,77+,78-/m0/s1",RXBMZCCWNCEMOZ,YZYIWMAGSA,N,Ganglioside GD2 (d18:1/9Z-18:1),RXBMZCCWNCEMOZ-YZYIWMAGSA-N
HMDB04925,1646.887947456,C76H134N4O34,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C76H134N4O34/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-46(89)45(80-54(93)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)41-105-71-63(99)62(98)65(52(39-84)107-71)109-72-64(100)69(66(53(40-85)108-72)110-70-57(79-44(5)88)61(97)59(95)50(37-82)106-70)114-76(74(103)104)35-48(91)56(78-43(4)87)68(113-76)60(96)51(38-83)111-75(73(101)102)34-47(90)55(77-42(3)86)67(112-75)58(94)49(92)36-81/h30,32,45-53,55-72,81-85,89-92,94-100H,6-29,31,33-41H2,1-5H3,(H,77,86)(H,78,87)(H,79,88)(H,80,93)(H,101,102)(H,103,104)/b32-30+/t45-,46+,47-,48-,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60+,61+,62+,63+,64+,65+,66-,67?,68?,69+,70-,71+,72-,75+,76-/m0/s1",PVPNRXLHVQWWDR,FGFTZXMBSA,N,Ganglioside GD2 (d18:1/16:0),PVPNRXLHVQWWDR-FGFTZXMBSA-N
HMDB04926,1674.919247584,C78H138N4O34,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C78H138N4O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-56(95)82-47(48(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-107-73-65(101)64(100)67(54(41-86)109-73)111-74-66(102)71(68(55(42-87)110-74)112-72-59(81-46(5)90)63(99)61(97)52(39-84)108-72)116-78(76(105)106)37-50(93)58(80-45(4)89)70(115-78)62(98)53(40-85)113-77(75(103)104)36-49(92)57(79-44(3)88)69(114-77)60(96)51(94)38-83/h32,34,47-55,57-74,83-87,91-94,96-102H,6-31,33,35-43H2,1-5H3,(H,79,88)(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b34-32+/t47-,48+,49-,50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67+,68-,69?,70?,71+,72-,73+,74-,77+,78-/m0/s1",CXQCLLQQYTUUKJ,TUFDDUSQSA,N,Ganglioside GD2 (d18:1/18:0),CXQCLLQQYTUUKJ-TUFDDUSQSA-N
HMDB04927,1702.950547712,C80H142N4O34,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C80H142N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-58(97)84-49(50(93)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-109-75-67(103)66(102)69(56(43-88)111-75)113-76-68(104)73(70(57(44-89)112-76)114-74-61(83-48(5)92)65(101)63(99)54(41-86)110-74)118-80(78(107)108)39-52(95)60(82-47(4)91)72(117-80)64(100)55(42-87)115-79(77(105)106)38-51(94)59(81-46(3)90)71(116-79)62(98)53(96)40-85/h34,36,49-57,59-76,85-89,93-96,98-104H,6-33,35,37-45H2,1-5H3,(H,81,90)(H,82,91)(H,83,92)(H,84,97)(H,105,106)(H,107,108)/b36-34+/t49-,50+,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70-,71?,72?,73+,74-,75+,76-,79+,80-/m0/s1",ONUDHQSSNJFFIP,LLXXMCGDSA,N,Ganglioside GD2 (d18:1/20:0),ONUDHQSSNJFFIP-LLXXMCGDSA-N
HMDB04928,1730.98184784,C82H146N4O34,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C82H146N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-60(99)86-51(52(95)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)47-111-77-69(105)68(104)71(58(45-90)113-77)115-78-70(106)75(72(59(46-91)114-78)116-76-63(85-50(5)94)67(103)65(101)56(43-88)112-76)120-82(80(109)110)41-54(97)62(84-49(4)93)74(119-82)66(102)57(44-89)117-81(79(107)108)40-53(96)61(83-48(3)92)73(118-81)64(100)55(98)42-87/h36,38,51-59,61-78,87-91,95-98,100-106H,6-35,37,39-47H2,1-5H3,(H,83,92)(H,84,93)(H,85,94)(H,86,99)(H,107,108)(H,109,110)/b38-36+/t51-,52+,53-,54-,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+,71+,72-,73?,74?,75+,76-,77+,78-,81+,82-/m0/s1",VFVUMOKIAXYQDI,RXHGTRNZSA,N,Ganglioside GD2 (d18:1/22:0),VFVUMOKIAXYQDI-RXHGTRNZSA-N
HMDB04929,1756.997497904,C84H148N4O34,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C84H148N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-62(101)88-53(54(97)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-113-79-71(107)70(106)73(60(47-92)115-79)117-80-72(108)77(74(61(48-93)116-80)118-78-65(87-52(5)96)69(105)67(103)58(45-90)114-78)122-84(82(111)112)43-56(99)64(86-51(4)95)76(121-84)68(104)59(46-91)119-83(81(109)110)42-55(98)63(85-50(3)94)75(120-83)66(102)57(100)44-89/h20-21,38,40,53-61,63-80,89-93,97-100,102-108H,6-19,22-37,39,41-49H2,1-5H3,(H,85,94)(H,86,95)(H,87,96)(H,88,101)(H,109,110)(H,111,112)/b21-20-,40-38+/t53-,54+,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74-,75?,76?,77+,78-,79+,80-,83+,84-/m0/s1",NWBZYNQCPKLRGN,VYQGQGJDSA,N,Ganglioside GD2 (d18:1/24:1(15Z)),NWBZYNQCPKLRGN-VYQGQGJDSA-N
HMDB04930,1785.028798032,C86H152N4O34,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C86H152N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-64(103)90-55(56(99)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-115-81-73(109)72(108)75(62(49-94)117-81)119-82-74(110)79(76(63(50-95)118-82)120-80-67(89-54(5)98)71(107)69(105)60(47-92)116-80)124-86(84(113)114)45-58(101)66(88-53(4)97)78(123-86)70(106)61(48-93)121-85(83(111)112)44-57(100)65(87-52(3)96)77(122-85)68(104)59(102)46-91/h20-21,40,42,55-63,65-82,91-95,99-102,104-110H,6-19,22-39,41,43-51H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,103)(H,111,112)(H,113,114)/b21-20-,42-40+/t55-,56+,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76-,77?,78?,79+,80-,81+,82-,85+,86-/m0/s1",RHSKDGDJJLENTE,HIENRUKWSA,N,Ganglioside GD2 (d18:1/26:1(15Z)),RHSKDGDJJLENTE-HIENRUKWSA-N
HMDB04931,1787.044448096,C86H154N4O34,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C86H154N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-64(103)90-55(56(99)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-115-81-73(109)72(108)75(62(49-94)117-81)119-82-74(110)79(76(63(50-95)118-82)120-80-67(89-54(5)98)71(107)69(105)60(47-92)116-80)124-86(84(113)114)45-58(101)66(88-53(4)97)78(123-86)70(106)61(48-93)121-85(83(111)112)44-57(100)65(87-52(3)96)77(122-85)68(104)59(102)46-91/h40,42,55-63,65-82,91-95,99-102,104-110H,6-39,41,43-51H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,103)(H,111,112)(H,113,114)/b42-40+/t55-,56+,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76-,77?,78?,79+,80-,81+,82-,85+,86-/m0/s1",RAJYONVJQNVGEK,KBCKFPICSA,N,Ganglioside GD2 (d18:1/26:0),RAJYONVJQNVGEK-KBCKFPICSA-N
HMDB04932,1759.013147968,C84H150N4O34,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C84H150N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-62(101)88-53(54(97)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-113-79-71(107)70(106)73(60(47-92)115-79)117-80-72(108)77(74(61(48-93)116-80)118-78-65(87-52(5)96)69(105)67(103)58(45-90)114-78)122-84(82(111)112)43-56(99)64(86-51(4)95)76(121-84)68(104)59(46-91)119-83(81(109)110)42-55(98)63(85-50(3)94)75(120-83)66(102)57(100)44-89/h38,40,53-61,63-80,89-93,97-100,102-108H,6-37,39,41-49H2,1-5H3,(H,85,94)(H,86,95)(H,87,96)(H,88,101)(H,109,110)(H,111,112)/b40-38+/t53-,54+,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74-,75?,76?,77+,78-,79+,80-,83+,84-/m0/s1",QQMRPVREOTZDMG,AKMGTXFXSA,N,Ganglioside GD2 (d18:1/24:0),QQMRPVREOTZDMG-AKMGTXFXSA-N
HMDB04934,1773.028798032,C85H152N4O34,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C85H152N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-63(102)89-54(55(98)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)50-114-80-72(108)71(107)74(61(48-93)116-80)118-81-73(109)78(75(62(49-94)117-81)119-79-66(88-53(5)97)70(106)68(104)59(46-91)115-79)123-85(83(112)113)44-57(100)65(87-52(4)96)77(122-85)69(105)60(47-92)120-84(82(110)111)43-56(99)64(86-51(3)95)76(121-84)67(103)58(101)45-90/h39,41,54-62,64-81,90-94,98-101,103-109H,6-38,40,42-50H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,102)(H,110,111)(H,112,113)/b41-39+/t54-,55+,56-,57-,58+,59+,60+,61+,62+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74+,75-,76?,77?,78+,79-,80+,81-,84+,85-/m0/s1",JBVRGVXYPMEGLV,WAOGFRARSA,N,Ganglioside GD2 (d18:1/25:0),JBVRGVXYPMEGLV-WAOGFRARSA-N
HMDB04936,1299.729930675,C61H109N3O26,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C61H109N3O26/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-38(71)37(64-44(74)28-26-24-22-19-14-12-10-8-6-2)34-83-58-51(79)50(78)53(42(32-67)85-58)87-59-52(80)56(54(43(33-68)86-59)88-57-46(63-36(4)70)49(77)48(76)41(31-66)84-57)90-61(60(81)82)29-39(72)45(62-35(3)69)55(89-61)47(75)40(73)30-65/h25,27,37-43,45-59,65-68,71-73,75-80H,5-24,26,28-34H2,1-4H3,(H,62,69)(H,63,70)(H,64,74)(H,81,82)/b27-25+/t37-,38+,39-,40+,41+,42+,43+,45+,46+,47+,48-,49+,50+,51+,52+,53+,54-,55?,56+,57-,58+,59-,61-/m0/s1",UBCMQDIOEUZUPT,XYXKSNPQSA,N,Ganglioside GM2 (d18:1/12:0),UBCMQDIOEUZUPT-XYXKSNPQSA-N
HMDB04937,1381.808180995,C67H119N3O26,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(CC([C@H](O)[C@H](O)CO)[C@H](NC(C)=O)[C@@H](O)O3)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H119N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(79)70-44(45(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-89-64-57(84)56(83)59(48(38-73)91-64)93-65-58(85)61(60(49(39-74)92-65)94-63-52(69-42(4)76)55(82)54(81)47(37-72)90-63)95-67(66(87)88)35-43(53(80)46(78)36-71)51(62(86)96-67)68-41(3)75/h19-20,31,33,43-49,51-65,71-74,77-78,80-86H,5-18,21-30,32,34-40H2,1-4H3,(H,68,75)(H,69,76)(H,70,79)(H,87,88)/b20-19-,33-31+/t43?,44-,45+,46+,47+,48+,49+,51-,52+,53-,54-,55+,56+,57+,58+,59+,60-,61+,62-,63-,64+,65-,67-/m0/s1",NHBOQDRLDGHTFT,SIWVGYHTSA,N,Ganglioside GM2 (d18:1/9Z-18:1),NHBOQDRLDGHTFT-SIWVGYHTSA-N
HMDB04938,1355.792530931,C65H117N3O26,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C65H117N3O26/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-42(75)41(68-48(78)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)38-87-62-55(83)54(82)57(46(36-71)89-62)91-63-56(84)60(58(47(37-72)90-63)92-61-50(67-40(4)74)53(81)52(80)45(35-70)88-61)94-65(64(85)86)33-43(76)49(66-39(3)73)59(93-65)51(79)44(77)34-69/h29,31,41-47,49-63,69-72,75-77,79-84H,5-28,30,32-38H2,1-4H3,(H,66,73)(H,67,74)(H,68,78)(H,85,86)/b31-29+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52-,53+,54+,55+,56+,57+,58-,59?,60+,61-,62+,63-,65-/m0/s1",DQWHBRCKOXYCIY,QTUBRTPCSA,N,Ganglioside GM2 (d18:1/16:0),DQWHBRCKOXYCIY-QTUBRTPCSA-N
HMDB04939,1383.823831059,C67H121N3O26,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C67H121N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(80)70-43(44(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-89-64-57(85)56(84)59(48(38-73)91-64)93-65-58(86)62(60(49(39-74)92-65)94-63-52(69-42(4)76)55(83)54(82)47(37-72)90-63)96-67(66(87)88)35-45(78)51(68-41(3)75)61(95-67)53(81)46(79)36-71/h31,33,43-49,51-65,71-74,77-79,81-86H,5-30,32,34-40H2,1-4H3,(H,68,75)(H,69,76)(H,70,80)(H,87,88)/b33-31+/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61?,62+,63-,64+,65-,67-/m0/s1",GIVLTTJNORAZON,RLADFVFXSA,N,Ganglioside GM2 (d18:1/18:0),GIVLTTJNORAZON-RLADFVFXSA-N
HMDB04940,1411.855131187,C69H125N3O26,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C69H125N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-52(82)72-45(46(79)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-91-66-59(87)58(86)61(50(40-75)93-66)95-67-60(88)64(62(51(41-76)94-67)96-65-54(71-44(4)78)57(85)56(84)49(39-74)92-65)98-69(68(89)90)37-47(80)53(70-43(3)77)63(97-69)55(83)48(81)38-73/h33,35,45-51,53-67,73-76,79-81,83-88H,5-32,34,36-42H2,1-4H3,(H,70,77)(H,71,78)(H,72,82)(H,89,90)/b35-33+/t45-,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62-,63?,64+,65-,66+,67-,69-/m0/s1",OBOZLYBYENZWAE,PWUMRELJSA,N,Ganglioside GM2 (d18:1/20:0),OBOZLYBYENZWAE-PWUMRELJSA-N
HMDB04941,1439.886431315,C71H129N3O26,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C71H129N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-54(84)74-47(48(81)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)44-93-68-61(89)60(88)63(52(42-77)95-68)97-69-62(90)66(64(53(43-78)96-69)98-67-56(73-46(4)80)59(87)58(86)51(41-76)94-67)100-71(70(91)92)39-49(82)55(72-45(3)79)65(99-71)57(85)50(83)40-75/h35,37,47-53,55-69,75-78,81-83,85-90H,5-34,36,38-44H2,1-4H3,(H,72,79)(H,73,80)(H,74,84)(H,91,92)/b37-35+/t47-,48+,49-,50+,51+,52+,53+,55+,56+,57+,58-,59+,60+,61+,62+,63+,64-,65?,66+,67-,68+,69-,71-/m0/s1",RYNUUTYLKCXBJV,MHEHBWOHSA,N,Ganglioside GM2 (d18:1/22:0),RYNUUTYLKCXBJV-MHEHBWOHSA-N
HMDB04942,1465.902081379,C73H131N3O26,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H131N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-56(86)76-49(50(83)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-95-70-63(91)62(90)65(54(44-79)97-70)99-71-64(92)68(66(55(45-80)98-71)100-69-58(75-48(4)82)61(89)60(88)53(43-78)96-69)102-73(72(93)94)41-51(84)57(74-47(3)81)67(101-73)59(87)52(85)42-77/h19-20,37,39,49-55,57-71,77-80,83-85,87-92H,5-18,21-36,38,40-46H2,1-4H3,(H,74,81)(H,75,82)(H,76,86)(H,93,94)/b20-19-,39-37+/t49-,50+,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66-,67?,68+,69-,70+,71-,73-/m0/s1",SKEFIZUMXOYBHZ,LCGNTRFZSA,N,Ganglioside GM2 (d18:1/24:1(15Z)),SKEFIZUMXOYBHZ-LCGNTRFZSA-N
HMDB04943,1493.933381507,C75H135N3O26,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C75H135N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-58(88)78-51(52(85)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-97-72-65(93)64(92)67(56(46-81)99-72)101-73-66(94)70(68(57(47-82)100-73)102-71-60(77-50(4)84)63(91)62(90)55(45-80)98-71)104-75(74(95)96)43-53(86)59(76-49(3)83)69(103-75)61(89)54(87)44-79/h19-20,39,41,51-57,59-73,79-82,85-87,89-94H,5-18,21-38,40,42-48H2,1-4H3,(H,76,83)(H,77,84)(H,78,88)(H,95,96)/b20-19-,41-39+/t51-,52+,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65+,66+,67+,68-,69?,70+,71-,72+,73-,75-/m0/s1",PQNKEUNQNFAUTN,XOUQUYNFSA,N,Ganglioside GM2 (d18:1/26:1(17Z)),PQNKEUNQNFAUTN-XOUQUYNFSA-N
HMDB04944,1495.949031571,C75H137N3O26,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C75H137N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-58(88)78-51(52(85)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-97-72-65(93)64(92)67(56(46-81)99-72)101-73-66(94)70(68(57(47-82)100-73)102-71-60(77-50(4)84)63(91)62(90)55(45-80)98-71)104-75(74(95)96)43-53(86)59(76-49(3)83)69(103-75)61(89)54(87)44-79/h39,41,51-57,59-73,79-82,85-87,89-94H,5-38,40,42-48H2,1-4H3,(H,76,83)(H,77,84)(H,78,88)(H,95,96)/b41-39+/t51-,52+,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65+,66+,67+,68-,69?,70+,71-,72+,73-,75-/m0/s1",MSUCTRZPJLOZLE,KKBFWMGOSA,N,Ganglioside GM2 (d18:1/26:0),MSUCTRZPJLOZLE-KKBFWMGOSA-N
HMDB04945,1467.917731443,C73H133N3O26,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C73H133N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-56(86)76-49(50(83)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-95-70-63(91)62(90)65(54(44-79)97-70)99-71-64(92)68(66(55(45-80)98-71)100-69-58(75-48(4)82)61(89)60(88)53(43-78)96-69)102-73(72(93)94)41-51(84)57(74-47(3)81)67(101-73)59(87)52(85)42-77/h37,39,49-55,57-71,77-80,83-85,87-92H,5-36,38,40-46H2,1-4H3,(H,74,81)(H,75,82)(H,76,86)(H,93,94)/b39-37+/t49-,50+,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66-,67?,68+,69-,70+,71-,73-/m0/s1",BLMYOYXBAKSCTQ,AQNOVQJBSA,N,Ganglioside GM2 (d18:1/24:0),BLMYOYXBAKSCTQ-AQNOVQJBSA-N
HMDB04946,1481.933381507,C74H135N3O26,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C74H135N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-57(87)77-50(51(84)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)47-96-71-64(92)63(91)66(55(45-80)98-71)100-72-65(93)69(67(56(46-81)99-72)101-70-59(76-49(4)83)62(90)61(89)54(44-79)97-70)103-74(73(94)95)42-52(85)58(75-48(3)82)68(102-74)60(88)53(86)43-78/h38,40,50-56,58-72,78-81,84-86,88-93H,5-37,39,41-47H2,1-4H3,(H,75,82)(H,76,83)(H,77,87)(H,94,95)/b40-38+/t50-,51+,52-,53+,54+,55+,56+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67-,68?,69+,70-,71+,72-,74-/m0/s1",YQYNFJQCYYZRLZ,HQQGIQBGSA,N,Ganglioside GM2 (d18:1/25:0),YQYNFJQCYYZRLZ-HQQGIQBGSA-N
HMDB04947,481.449494759,C30H59NO3,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC,"InChI=1S/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28-,29+/m0/s1",HXFPPRPLRSPNIB,VARSQMIESA,N,Ceramide (d18:1/12:0),HXFPPRPLRSPNIB-VARSQMIESA-N
HMDB04948,563.527745079,C36H69NO3,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17-,31-29+/t34-,35+/m0/s1",OBFSLMQLPNKVRW,RHPAUOISSA,N,Ceramide (d18:1/9Z-18:1),OBFSLMQLPNKVRW-RHPAUOISSA-N
HMDB04949,537.512095015,C34H67NO3,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1",YDNKGFDKKRUKPY,TURZORIXSA,N,Ceramide (d18:1/16:0),YDNKGFDKKRUKPY-TURZORIXSA-N
HMDB04950,565.543395143,C36H71NO3,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1",VODZWWMEJITOND,NXCSZAMKSA,N,Ceramide (d18:1/18:0),VODZWWMEJITOND-NXCSZAMKSA-N
HMDB04951,593.574695271,C38H75NO3,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,36-37,40-41H,3-30,32,34-35H2,1-2H3,(H,39,42)/b33-31+/t36-,37+/m0/s1",XWBWIAOWSABHFI,NUKVNZTCSA,N,Ceramide (d18:1/20:0),XWBWIAOWSABHFI-NUKVNZTCSA-N
HMDB04952,621.605995399,C40H79NO3,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1",KEPQASGDXIEOIL,GLQCRSEXSA,N,Ceramide (d18:1/22:0),KEPQASGDXIEOIL-GLQCRSEXSA-N
HMDB04953,647.621645463,C42H81NO3,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17-,37-35+/t40-,41+/m0/s1",VJSBNBBOSZJDKB,KPEYJIHVSA,N,Cer(d18:1/24:1(15Z)),VJSBNBBOSZJDKB-KPEYJIHVSA-N
HMDB04955,677.668595655,C44H87NO3,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h37,39,42-43,46-47H,3-36,38,40-41H2,1-2H3,(H,45,48)/b39-37+/t42-,43+/m0/s1",CJROVRTUSFQVMR,GVOPMEMSSA,N,Cer(d18:1/26:0),CJROVRTUSFQVMR-GVOPMEMSSA-N
HMDB04956,649.637295527,C42H83NO3,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+/t40-,41+/m0/s1",ZJVVOYPTFQEGPH,AUTSUKAISA,N,Ceramide (d18:1/24:0),ZJVVOYPTFQEGPH-AUTSUKAISA-N
HMDB04957,663.652945591,C43H85NO3,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C43H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h36,38,41-42,45-46H,3-35,37,39-40H2,1-2H3,(H,44,47)/b38-36+/t41-,42+/m0/s1",QHPYSHVSWAOLHS,PVNBSDFKSA,N,Ceramide (d18:1/25:0),QHPYSHVSWAOLHS-PVNBSDFKSA-N
HMDB04958,1170.68733758,C56H102N2O23,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C56H102N2O23/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(64)34(58-40(65)27-25-23-21-18-13-11-9-7-5-2)32-74-54-47(71)45(69)50(38(30-61)77-54)79-55-48(72)46(70)51(39(31-62)78-55)80-56-49(73)52(43(67)37(29-60)76-56)81-53-41(57-33(3)63)44(68)42(66)36(28-59)75-53/h24,26,34-39,41-56,59-62,64,66-73H,4-23,25,27-32H2,1-3H3,(H,57,63)(H,58,65)/b26-24+/t34-,35+,36+,37+,38+,39+,41+,42-,43-,44+,45+,46+,47?,48+,49+,50+,51-,52-,53-,54+,55-,56+/m0/s1",MJVVJMMBLSKMDU,QVQHRZDJSA,N,Tetrahexosylceramide (d18:1/12:0),MJVVJMMBLSKMDU-QVQHRZDJSA-N
HMDB04959,1252.7655879,C62H112N2O23,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H112N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-53(77)51(75)56(44(36-67)83-60)85-61-54(78)52(76)57(45(37-68)84-61)86-62-55(79)58(49(73)43(35-66)82-62)87-59-47(63-39(3)69)50(74)48(72)42(34-65)81-59/h18-19,30,32,40-45,47-62,65-68,70,72-79H,4-17,20-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b19-18-,32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60+,61-,62+/m0/s1",RAYORSFMGOKRRF,GVCCHFOSSA,N,Tetrahexosylceramide (d18:1/9Z-18:1),RAYORSFMGOKRRF-GVCCHFOSSA-N
HMDB04960,1226.749937836,C60H110N2O23,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C60H110N2O23/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(68)38(62-44(69)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-78-58-51(75)49(73)54(42(34-65)81-58)83-59-52(76)50(74)55(43(35-66)82-59)84-60-53(77)56(47(71)41(33-64)80-60)85-57-45(61-37(3)67)48(72)46(70)40(32-63)79-57/h28,30,38-43,45-60,63-66,68,70-77H,4-27,29,31-36H2,1-3H3,(H,61,67)(H,62,69)/b30-28+/t38-,39+,40+,41+,42+,43+,45+,46-,47-,48+,49+,50+,51?,52+,53+,54+,55-,56-,57-,58+,59-,60+/m0/s1",BLRBAJXLYBVISP,FQSSPVBCSA,N,Tetrahexosylceramide (d18:1/16:0),BLRBAJXLYBVISP-FQSSPVBCSA-N
HMDB04961,1254.781237964,C62H114N2O23,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-53(77)51(75)56(44(36-67)83-60)85-61-54(78)52(76)57(45(37-68)84-61)86-62-55(79)58(49(73)43(35-66)82-62)87-59-47(63-39(3)69)50(74)48(72)42(34-65)81-59/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50+,51+,52+,53?,54+,55+,56+,57-,58-,59-,60+,61-,62+/m0/s1",WQRPYKCGVLWFGH,FRDPBZGNSA,N,Tetrahexosylceramide (d18:1/18:0),WQRPYKCGVLWFGH-FRDPBZGNSA-N
HMDB04962,1282.812538092,C64H118N2O23,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C64H118N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-48(73)66-42(43(72)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)40-82-62-55(79)53(77)58(46(38-69)85-62)87-63-56(80)54(78)59(47(39-70)86-63)88-64-57(81)60(51(75)45(37-68)84-64)89-61-49(65-41(3)71)52(76)50(74)44(36-67)83-61/h32,34,42-47,49-64,67-70,72,74-81H,4-31,33,35-40H2,1-3H3,(H,65,71)(H,66,73)/b34-32+/t42-,43+,44+,45+,46+,47+,49+,50-,51-,52+,53+,54+,55?,56+,57+,58+,59-,60-,61-,62+,63-,64+/m0/s1",RVUZWHFMFKLQMQ,OXVZMYBDSA,N,Tetrahexosylceramide (d18:1/20:0),RVUZWHFMFKLQMQ-OXVZMYBDSA-N
HMDB04963,1310.84383822,C66H122N2O23,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C66H122N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(75)68-44(45(74)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-84-64-57(81)55(79)60(48(40-71)87-64)89-65-58(82)56(80)61(49(41-72)88-65)90-66-59(83)62(53(77)47(39-70)86-66)91-63-51(67-43(3)73)54(78)52(76)46(38-69)85-63/h34,36,44-49,51-66,69-72,74,76-83H,4-33,35,37-42H2,1-3H3,(H,67,73)(H,68,75)/b36-34+/t44-,45+,46+,47+,48+,49+,51+,52-,53-,54+,55+,56+,57?,58+,59+,60+,61-,62-,63-,64+,65-,66+/m0/s1",JQUHSPIEUIPQKK,LYASSRGASA,N,Tetrahexosylceramide (d18:1/22:0),JQUHSPIEUIPQKK-LYASSRGASA-N
HMDB04964,1336.859488284,C68H124N2O23,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C68H124N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h18-19,36,38,46-51,53-68,71-74,76,78-85H,4-17,20-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b19-18-,38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59?,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1",WSOCRZVLWFROQD,PKFMWLSZSA,N,Tetrahexosylceramide (d18:1/24:1(15Z)),WSOCRZVLWFROQD-PKFMWLSZSA-N
HMDB04965,1364.890788412,C70H128N2O23,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C70H128N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-61(85)59(83)64(52(44-75)91-68)93-69-62(86)60(84)65(53(45-76)92-69)94-70-63(87)66(57(81)51(43-74)90-70)95-67-55(71-47(3)77)58(82)56(80)50(42-73)89-67/h18-19,38,40,48-53,55-70,73-76,78,80-87H,4-17,20-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b19-18-,40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58+,59+,60+,61?,62+,63+,64+,65-,66-,67-,68+,69-,70+/m0/s1",LQOPAWJVWQZIIM,SDWDCSGWSA,N,Tetrahexosylceramide (d18:1/26:1(17Z)),LQOPAWJVWQZIIM-SDWDCSGWSA-N
HMDB04966,1366.906438476,C70H130N2O23,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C70H130N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-61(85)59(83)64(52(44-75)91-68)93-69-62(86)60(84)65(53(45-76)92-69)94-70-63(87)66(57(81)51(43-74)90-70)95-67-55(71-47(3)77)58(82)56(80)50(42-73)89-67/h38,40,48-53,55-70,73-76,78,80-87H,4-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58+,59+,60+,61?,62+,63+,64+,65-,66-,67-,68+,69-,70+/m0/s1",FLMFNAJOWBHBBY,NLJQPXDCSA,N,Tetrahexosylceramide (d18:1/26:0),FLMFNAJOWBHBBY-NLJQPXDCSA-N
HMDB04967,1338.875138348,C68H126N2O23,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59?,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1",QCHXQNLXKNDTLT,APLYNOCQSA,N,Tetrahexosylceramide (d18:1/24:0),QCHXQNLXKNDTLT-APLYNOCQSA-N
HMDB04968,1352.890788412,C69H128N2O23,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C69H128N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-53(78)71-47(48(77)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)45-87-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)59(83)64(52(44-75)91-68)93-69-62(86)65(56(80)50(42-73)89-69)94-66-54(70-46(3)76)57(81)55(79)49(41-72)88-66/h37,39,47-52,54-69,72-75,77,79-86H,4-36,38,40-45H2,1-3H3,(H,70,76)(H,71,78)/b39-37+/t47-,48+,49+,50+,51+,52+,54+,55-,56-,57+,58+,59+,60?,61+,62+,63+,64-,65-,66-,67+,68-,69+/m0/s1",BIDGDAHARPMCIU,LLSSOVTJSA,N,Tetrahexosylceramide (d18:1/25:0),BIDGDAHARPMCIU-LLSSOVTJSA-N
HMDB04969,643.502318189,C36H69NO8,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C36H69NO8/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(28-44-36-35(43)34(42)33(41)31(27-38)45-36)37-32(40)26-24-22-20-17-12-10-8-6-4-2/h23,25,29-31,33-36,38-39,41-43H,3-22,24,26-28H2,1-2H3,(H,37,40)/b25-23+/t29-,30+,31+,33+,34-,35+,36+/m0/s1",IYCYEZLMOLRFAN,IUGLYQEMSA,N,Glucosylceramide (d18:1/12:0),IYCYEZLMOLRFAN-IUGLYQEMSA-N
HMDB04970,725.580568509,C42H79NO8,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17-,31-29+/t35-,36+,37+,39+,40-,41+,42+/m0/s1",MVGFIPNJBNBHNC,HVFXMTMESA,N,Glucosylceramide (d18:1/9Z-18:1),MVGFIPNJBNBHNC-HVFXMTMESA-N
HMDB04971,699.564918445,C40H77NO8,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C40H77NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-47H,3-26,28,30-32H2,1-2H3,(H,41,44)/b29-27+/t33-,34+,35+,37+,38-,39+,40+/m0/s1",VJLLLMIZEJJZTE,NNTBDIJYSA,N,Glucosylceramide (d18:1/16:0),VJLLLMIZEJJZTE-NNTBDIJYSA-N
HMDB04972,727.596218573,C42H81NO8,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C42H81NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,35-37,39-42,44-45,47-49H,3-28,30,32-34H2,1-2H3,(H,43,46)/b31-29+/t35-,36+,37+,39+,40-,41+,42+/m0/s1",YMYQEDCYNANIPI,DYJXBSQNSA,N,Glucosylceramide (d18:1/18:0),YMYQEDCYNANIPI-DYJXBSQNSA-N
HMDB04973,755.627518701,C44H85NO8,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C44H85NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,37-39,41-44,46-47,49-51H,3-30,32,34-36H2,1-2H3,(H,45,48)/b33-31+/t37-,38+,39+,41+,42-,43+,44+/m0/s1",DFELABABMXOKTD,IYFIADHGSA,N,Glucosylceramide (d18:1/20:0),DFELABABMXOKTD-IYFIADHGSA-N
HMDB04974,783.658818829,C46H89NO8,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C46H89NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,39-41,43-46,48-49,51-53H,3-32,34,36-38H2,1-2H3,(H,47,50)/b35-33+/t39-,40+,41+,43+,44-,45+,46+/m0/s1",YIGARKIIFOHVPF,CNUVFPMCSA,N,Glucosylceramide (d18:1/22:0),YIGARKIIFOHVPF-CNUVFPMCSA-N
HMDB04975,809.674468893,C48H91NO8,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,41-43,45-48,50-51,53-55H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)/b18-17-,37-35+/t41-,42+,43+,45+,46-,47+,48+/m0/s1",WBOZIXHPUPAOIA,JZZPSRGZSA,N,Glucosylceramide (d18:1/24:1(15Z)),WBOZIXHPUPAOIA-JZZPSRGZSA-N
HMDB04976,837.705769021,C50H95NO8,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C50H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,37,39,43-45,47-50,52-53,55-57H,3-16,19-36,38,40-42H2,1-2H3,(H,51,54)/b18-17-,39-37+/t43-,44+,45+,47+,48-,49+,50+/m0/s1",LVROXDRMMJVBGH,WLPLOMEJSA,N,Glucosylceramide (d18:1/26:1(17Z)),LVROXDRMMJVBGH-WLPLOMEJSA-N
HMDB04977,839.721419085,C50H97NO8,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C50H97NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h37,39,43-45,47-50,52-53,55-57H,3-36,38,40-42H2,1-2H3,(H,51,54)/b39-37+/t43-,44+,45+,47+,48-,49+,50+/m0/s1",DOIOUJPHIXRQFM,WBOUPBNQSA,N,Glucosylceramide (d18:1/26:0),DOIOUJPHIXRQFM-WBOUPBNQSA-N
HMDB04978,811.690118957,C48H93NO8,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45+,46?,47?,48+/m0/s1",POQRWMRXUOPCLD,AAAFHMTMSA,N,Glucosylceramide (d18:1/24:0),POQRWMRXUOPCLD-AAAFHMTMSA-N
HMDB04979,825.705769021,C49H95NO8,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C49H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-45(53)50-42(41-57-49-48(56)47(55)46(54)44(40-51)58-49)43(52)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h36,38,42-44,46-49,51-52,54-56H,3-35,37,39-41H2,1-2H3,(H,50,53)/b38-36+/t42-,43+,44+,46+,47-,48+,49+/m0/s1",RIGGIBNQNREJCL,ZVFXBQQRSA,N,Glucosylceramide (d18:1/25:0),RIGGIBNQNREJCL-ZVFXBQQRSA-N
HMDB04980,170.13067982,C10H18O2,CCCCC\C=C/CCC(O)=O,"InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)/b7-6-",XKZKQTCECFWKBN,SREVYHEPSA,N,cis-4-Decenoic acid,XKZKQTCECFWKBN-SREVYHEPSA-N
HMDB04982,172.073558872,C8H12O4,OC(=O)CC\C=C/CCC(O)=O,"InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1-",LQVYKEXVMZXOAH,UPHRSURJSA,N,cis-4-Octenedioic acid,LQVYKEXVMZXOAH-UPHRSURJSA-N
HMDB04983,94.008850126,C2H6O2S,CS(C)(=O)=O,"InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3",HHVIBTZHLRERCL,UHFFFAOYSA,N,Dimethyl sulfone,HHVIBTZHLRERCL-UHFFFAOYSA-N
HMDB04985,261.132470733,C10H19N3O5,NCCCC[C@H](NC(=O)C[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-8(14)5-6(12)9(15)16/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7-/m0/s1",QGNYWQOMJSTUQZ,BQBZGAKWSA,N,Aspartylysine,QGNYWQOMJSTUQZ-BQBZGAKWSA-N
HMDB04987,261.132470733,C10H19N3O5,NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O,"InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1",OAMLVOVXNKILLQ,BQBZGAKWSA,N,Alpha-Aspartyl-lysine,OAMLVOVXNKILLQ-BQBZGAKWSA-N
HMDB04988,140.05857751,C6H8N2O2,CN1C=NC=C1CC(O)=O,"InChI=1S/C6H8N2O2/c1-8-4-7-3-5(8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)",UJCGYTCAMOHYCG,UHFFFAOYSA,N,Pi-Methylimidazoleacetic acid,UJCGYTCAMOHYCG-UHFFFAOYSA-N
HMDB04989,137.084063979,C8H11NO,NCCC1=CC(O)=CC=C1,"InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2",GHFGJTVYMNRGBY,UHFFFAOYSA,N,m-Tyramine,GHFGJTVYMNRGBY-UHFFFAOYSA-N
HMDB04992,165.078978601,C9H11NO2,CCOC(=O)C1=CC=C(N)C=C1,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",BLFLLBZGZJTVJG,UHFFFAOYSA,N,Benzocaine,BLFLLBZGZJTVJG-UHFFFAOYSA-N
HMDB04995,299.152143543,C18H21NO3,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",OROGSEYTTFOCAN,DNJOTXNNSA,N,Codeine,OROGSEYTTFOCAN-DNJOTXNNSA-N
HMDB04998,198.089208936,C10H14O4,COC1=CC=CC=C1OCC(O)CO,"InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3",HSRJKNPTNIJEKV,UHFFFAOYSA,N,Guaifenesin,HSRJKNPTNIJEKV-UHFFFAOYSA-N
HMDB04999,476.223056017,C29H33ClN2O2,CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3",RDOIQAHITMMDAJ,UHFFFAOYSA,N,Loperamide,RDOIQAHITMMDAJ-UHFFFAOYSA-N
HMDB05000,382.144805697,C22H23ClN2O2,CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2,"InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3",JCCNYMKQOSZNPW,UHFFFAOYSA,N,Loratadine,JCCNYMKQOSZNPW-UHFFFAOYSA-N
HMDB05005,307.103084861,C19H17NOS,CN(C(=S)OC1=CC2=CC=CC=C2C=C1)C1=CC=CC(C)=C1,"InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3",FUSNMLFNXJSCDI,UHFFFAOYSA,N,Tolnaftate,FUSNMLFNXJSCDI-UHFFFAOYSA-N
HMDB05006,558.253000445,C33H35FN2O5,CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1,"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1",XUKUURHRXDUEBC,KAYWLYCHSA,N,Atorvastatin,XUKUURHRXDUEBC-KAYWLYCHSA-N
HMDB05007,418.271924326,C25H38O5,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC,"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1",RYMZZMVNJRMUDD,HGQWONQESA,N,Simvastatin,RYMZZMVNJRMUDD-HGQWONQESA-N
HMDB05008,369.075882012,C16H14F3N3O2S,CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1,"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)",MJIHNNLFOKEZEW,UHFFFAOYSA,N,Lansoprazole,MJIHNNLFOKEZEW-UHFFFAOYSA-N
HMDB05009,345.114712179,C17H19N3O3S,COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1",SUBDBMMJDZJVOS,DEOSSOPVSA,N,(S)-Esomeprazole,SUBDBMMJDZJVOS-DEOSSOPVSA-N
HMDB05010,305.073804963,C17H17Cl2N,CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12,"InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1",VGKDLMBJGBXTGI,SJCJKPOMSA,N,Sertraline,VGKDLMBJGBXTGI-SJCJKPOMSA-N
HMDB05011,321.059027158,C16H16ClNO2S,[H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl,"InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1",GKTWGGQPFAXNFI,HNNXBMFYSA,N,Clopidogrel,GKTWGGQPFAXNFI-HNNXBMFYSA-N
HMDB05012,312.14086735,C17H20N4S,CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2,"InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3",KVWDHTXUZHCGIO,UHFFFAOYSA,N,Olanzapine,KVWDHTXUZHCGIO-UHFFFAOYSA-N
HMDB05014,381.075882012,C17H14F3N3O2S,CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F,"InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)",RZEKVGVHFLEQIL,UHFFFAOYSA,N,Celecoxib,RZEKVGVHFLEQIL-UHFFFAOYSA-N
HMDB05015,171.125928793,C9H17NO2,NCC1(CC(O)=O)CCCCC1,"InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)",UGJMXCAKCUNAIE,UHFFFAOYSA,N,Gabapentin,UGJMXCAKCUNAIE-UHFFFAOYSA-N
HMDB05016,277.204179113,C17H27NO2,COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3",PNVNVHUZROJLTJ,UHFFFAOYSA,N,Venlafaxine,PNVNVHUZROJLTJ-UHFFFAOYSA-N
HMDB05017,383.075133083,C16H15F2N3O4S,COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1,"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)",IQPSEEYGBUAQFF,UHFFFAOYSA,N,Pantoprazole,IQPSEEYGBUAQFF-UHFFFAOYSA-N
HMDB05018,408.145199627,C20H25ClN2O5,CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC,"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3",HTIQEAQVCYTUBX,UHFFFAOYSA,N,Amlodipine,HTIQEAQVCYTUBX-UHFFFAOYSA-N
HMDB05020,410.211804333,C23H27FN4O2,CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1,"InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3",RAPZEAPATHNIPO,UHFFFAOYSA,N,Risperidone,RAPZEAPATHNIPO-UHFFFAOYSA-N
HMDB05021,383.166747749,C21H25N3O2S,OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2",URKOMYMAXPYINW,UHFFFAOYSA,N,Quetiapine,URKOMYMAXPYINW-UHFFFAOYSA-N
HMDB05022,424.246103506,C23H36O7,[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1",TUZYXOIXSAXUGO,PZAWKZKUSA,N,Pravastatin,TUZYXOIXSAXUGO-PZAWKZKUSA-N
HMDB05023,307.168462309,C19H21N3O,CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3",ZAFYATHCZYHLPB,UHFFFAOYSA,N,Zolpidem,ZAFYATHCZYHLPB-UHFFFAOYSA-N
HMDB05026,359.130362243,C18H21N3O3S,COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1,"InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)",YREYEVIYCVEVJK,UHFFFAOYSA,N,Rabeprazole,YREYEVIYCVEVJK-UHFFFAOYSA-N
HMDB05028,324.163791509,C20H21FN2O,CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1",WSEQXVZVJXJVFP,FQEVSTJZSA,N,Escitalopram,WSEQXVZVJXJVFP-FQEVSTJZSA-N
HMDB05030,501.287908741,C32H39NO4,CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)",RWTNPBWLLIMQHL,UHFFFAOYSA,N,Fexofenadine,RWTNPBWLLIMQHL-UHFFFAOYSA-N
HMDB05031,357.114712179,C18H19N3O3S,CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1,"InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)",YASAKCUCGLMORW,UHFFFAOYSA,N,Rosiglitazone,YASAKCUCGLMORW-UHFFFAOYSA-N
HMDB05032,388.155370383,C21H25ClN2O3,OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)",ZKLPARSLTMPFCP,UHFFFAOYSA,N,Cetirizine,ZKLPARSLTMPFCP-UHFFFAOYSA-N
HMDB05033,314.072513014,C16H14N2O3S,CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)",LNPDTQAFDNKSHK,UHFFFAOYSA,N,Valdecoxib,LNPDTQAFDNKSHK-UHFFFAOYSA-N
HMDB05034,339.098787343,C12H21NO8S,[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2,"InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1",KJADKKWYZYXHBB,XBWDGYHZSA,N,Topiramate,KJADKKWYZYXHBB-XBWDGYHZSA-N
HMDB05035,293.152812245,C18H19N3O,CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2,"InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3",FELGMEQIXOGIFQ,UHFFFAOYSA,N,Ondansetron,FELGMEQIXOGIFQ-UHFFFAOYSA-N
HMDB05036,500.184429407,C25H31F3O5S,[H][C@@]12C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]1(F)[C@@H](O)C[C@@]1(C)C2C[C@@H](C)[C@]1(OC(=O)CC)C(=O)SCF,"InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15?,16+,18+,19+,22+,23+,24+,25+/m1/s1",WMWTYOKRWGGJOA,SMFDZHJNSA,N,Fluticasone,WMWTYOKRWGGJOA-SMFDZHJNSA-N
HMDB05037,295.135447621,C14H21N3O2S,CNS(=O)(=O)CC1=CC2=C(NC=C2CCN(C)C)C=C1,"InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3",KQKPFRSPSRPDEB,UHFFFAOYSA,N,Sumatriptan,KQKPFRSPSRPDEB-UHFFFAOYSA-N
HMDB05038,324.163791509,C20H21FN2O,CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3",WSEQXVZVJXJVFP,UHFFFAOYSA,N,Citalopram,WSEQXVZVJXJVFP-UHFFFAOYSA-N
HMDB05039,474.204924168,C22H30N6O4S,CCCC1=NN(C)C2=C1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(C)CC1,"InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)",BNRNXUUZRGQAQC,UHFFFAOYSA,N,Sildenafil,BNRNXUUZRGQAQC-UHFFFAOYSA-N
HMDB05041,379.214743799,C24H29NO3,COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1,"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3",ADEBPBSSDYVVLD,UHFFFAOYSA,N,Donepezil,ADEBPBSSDYVVLD-UHFFFAOYSA-N
HMDB05042,447.148032537,C23H27Cl2N3O2,ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl,"InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)",CEUORZQYGODEFX,UHFFFAOYSA,N,Aripiprazole,CEUORZQYGODEFX-UHFFFAOYSA-N
HMDB05045,322.250794954,C20H34O3,CCCCC[C@H](O)\C=C\C=C/C\C=C/CCCCCCC(O)=O,"InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,17-14+/t19-/m0/s1",IUKXMNDGTWTNTP,OAHXIXLCSA,N,15(S)-Hydroxyeicosatrienoic acid,IUKXMNDGTWTNTP-OAHXIXLCSA-N
HMDB05047,280.240230268,C18H32O2,CCCCCC\C=C\C=C\CCCCCCCC(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9+",JBYXPOFIGCOSSB,XBLVEGMJSA,N,"9E,11E-Octadecadienoic acid",JBYXPOFIGCOSSB-XBLVEGMJSA-N
HMDB05048,280.240230268,C18H32O2,CCCCCC\C=C/C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7-,10-9+",JBYXPOFIGCOSSB,UQGDGPGGSA,N,"10E,12Z-Octadecadienoic acid",JBYXPOFIGCOSSB-UQGDGPGGSA-N
HMDB05049,325.225308485,C18H31NO4,CCCCC\C=C/C\C(=C/CCCCCCCC(O)=O)[N+]([O-])=O,"InChI=1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+",LELVHAQTWXTCLY,XYWKCAQWSA,N,10-Nitrolinoleic acid,LELVHAQTWXTCLY-XYWKCAQWSA-N
HMDB05050,336.230059512,C20H32O4,CCCCC[C@H](O)\C=C\C1OC1C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-9-12-17(21)15-16-19-18(24-19)13-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1",GELFSVXLSDZDHE,YZSNCDGGSA,N,"15H-11,12-EETA",GELFSVXLSDZDHE-YZSNCDGGSA-N
HMDB05051,226.193280076,C14H26O2,CCCCCCCCC\C=C/CCC(O)=O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-11H,2-9,12-13H2,1H3,(H,15,16)/b11-10-",CUVLOCDGQCUQSI,KHPPLWFESA,N,Tsuzuic acid,CUVLOCDGQCUQSI-KHPPLWFESA-N
HMDB05056,302.151809192,C18H22O4,OC[C@H](CC1=CC(O)=CC=C1)[C@H](CO)CC1=CC(O)=CC=C1,"InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1",DWONJCNDULPHLV,HOTGVXAUSA,N,Enterodiol,DWONJCNDULPHLV-HOTGVXAUSA-N
HMDB05060,308.271530396,C20H36O2,CCCCC\C=C/C\C=C/CCCCCCCCCC(O)=O,"InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-",XSXIVVZCUAHUJO,HZJYTTRNSA,N,Eicosadienoic acid,XSXIVVZCUAHUJO-HZJYTTRNSA-N
HMDB05065,425.350508997,C25H47NO4,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h12-13,23H,5-11,14-22H2,1-4H3/b13-12-/t23-/m0/s1",ASTZXVSQSSBFOS,FRHQNKJESA,N,Oleoylcarnitine,ASTZXVSQSSBFOS-FRHQNKJESA-N
HMDB05066,371.303558805,C21H41NO4,CCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/t19-/m1/s1",PSHXNVGSVNEJBD,LJQANCHMSA,N,Tetradecanoylcarnitine,PSHXNVGSVNEJBD-LJQANCHMSA-N
HMDB05073,334.214409448,C20H30O4,CC\C=C/C\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3-,8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1",BISQPGCQOHLHQK,HDNPQISLSA,N,Leukotriene B5,BISQPGCQOHLHQK-HDNPQISLSA-N
HMDB05076,358.271924326,C20H38O5,CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O,"InChI=1S/C20H38O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-19,21-23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+/m0/s1",WMHAOJIJVNDMKA,BRIYLRKRSA,N,"13,14-Dihydro PGF-1a",WMHAOJIJVNDMKA-BRIYLRKRSA-N
HMDB05077,352.224974134,C20H32O5,CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,18-,19+/m0/s1",LOLJEILMPWPILA,RLXHZABYSA,N,8-iso-15-keto-PGF2a,LOLJEILMPWPILA-RLXHZABYSA-N
HMDB05079,316.203844762,C20H28O3,CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O,"InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1",VHRUMKCAEVRUBK,GODQJPCRSA,N,"15-Deoxy-d-12,14-PGJ2",VHRUMKCAEVRUBK-GODQJPCRSA-N
HMDB05081,318.219494826,C20H30O3,CC\C=C/C\C=C/C\C=C/C\C=C/C=C/C(O)CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+",FTAGQROYQYQRHF,FCWZHQICSA,N,5-HEPE,FTAGQROYQYQRHF-FCWZHQICSA-N
HMDB05082,352.224974134,C20H32O5,CCCCC[C@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@@H](O)CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1",UXVRTOKOJOMENI,WLPVFMORSA,N,Lipoxin B4,UXVRTOKOJOMENI-WLPVFMORSA-N
HMDB05083,354.240624198,C20H34O5,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1",PXGPLTODNUVGFL,NAPLMKITSA,N,8-Isoprostaglandin F2a,PXGPLTODNUVGFL-NAPLMKITSA-N
HMDB05084,481.249808675,C25H39NO6S,CCCCC\C=C/C\C=C/C=C/C=C/[C@H](SC[C@@H](NC(C)=O)C(O)=O)[C@H](O)CCCC(O)=O,"InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21-,22-,23+/m1/s1",BGGYAYMMFYBWEX,KDFQUNDDSA,N,N-Acetyl-leukotriene E4,BGGYAYMMFYBWEX-KDFQUNDDSA-N
HMDB05085,363.277344055,C22H37NO3,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)N(C)C,"InChI=1S/C22H37NO3/c1-4-5-6-7-8-11-15-20(24)16-12-9-10-13-17-21(25)18-14-19-22(26)23(2)3/h8-13,16-17,20-21,24-25H,4-7,14-15,18-19H2,1-3H3/b10-9+,11-8-,16-12+,17-13-/t20-,21-/m1/s1",BBJRTSLPWQUASB,UKODYPNASA,N,Leukotriene B4 dimethylamide,BBJRTSLPWQUASB-UKODYPNASA-N
HMDB05087,336.230059512,C20H32O4,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C\[C@@H](O)CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-,19-/m1/s1",VNYSSYRCGWBHLG,UKNWISKWSA,N,6-trans-Leukotriene B4,VNYSSYRCGWBHLG-UKNWISKWSA-N
HMDB05088,336.230059512,C20H32O4,CCCCC\C=C/C[C@H](O)\C=C\C=C\C=C\[C@@H](O)CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-,19+/m0/s1",VNYSSYRCGWBHLG,CTOJTRLNSA,N,6-trans-12-epi-Leukotriene B4,VNYSSYRCGWBHLG-CTOJTRLNSA-N
HMDB05089,336.230059512,C20H32O4,CCCCC\C=C/C[C@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19+/m0/s1",VNYSSYRCGWBHLG,CBBLYLIKSA,N,12(S)-Leukotriene B4,VNYSSYRCGWBHLG-CBBLYLIKSA-N
HMDB05095,625.303300807,C30H47N3O9S,CCCCC\C=C/C\C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9+,12-11+,16-13+/t22-,23-,24-,25+/m0/s1",GWNVDXQDILPJIG,CCHJCNDSSA,N,11-trans-Leukotriene C4,GWNVDXQDILPJIG-CCHJCNDSSA-N
HMDB05096,361.261693991,C22H35NO3,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC(O)=O,"InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-",YLEARPUNMCCKMP,DOFZRALJSA,N,N-Arachidonoyl glycine,YLEARPUNMCCKMP-DOFZRALJSA-N
HMDB05099,368.219888756,C20H32O6,CC\C=C\CC(O)\C=C\C1OC(O)CC(O)C1C\C=C\CCCC(O)=O,"InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,20-22,25H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3+,7-4+,13-12+",OYPPJMLKAYYWHH,OHVJZDGFSA,N,Thromboxane B3,OYPPJMLKAYYWHH-OHVJZDGFSA-N
HMDB05102,354.240624198,C20H34O5,CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1",CIMMACURCPXICP,PNQRDDRVSA,N,Prostaglandin D1,CIMMACURCPXICP-PNQRDDRVSA-N
HMDB05175,166.062994186,C9H10O3,COC1=C(O)C=CC(CC=O)=C1,"InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3",GOQGGGANVKPMNH,UHFFFAOYSA,N,Homovanillin,GOQGGGANVKPMNH-UHFFFAOYSA-N
HMDB05176,1381.27821987,C100H164O,CC(CCO)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C100H164O/c1-81(2)41-22-42-82(3)43-23-44-83(4)45-24-46-84(5)47-25-48-85(6)49-26-50-86(7)51-27-52-87(8)53-28-54-88(9)55-29-56-89(10)57-30-58-90(11)59-31-60-91(12)61-32-62-92(13)63-33-64-93(14)65-34-66-94(15)67-35-68-95(16)69-36-70-96(17)71-37-72-97(18)73-38-74-98(19)75-39-76-99(20)77-40-78-100(21)79-80-101/h41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,100-101H,22-40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78-80H2,1-21H3/b82-43+,83-45+,84-47+,85-49+,86-51-,87-53+,88-55+,89-57+,90-59+,91-61+,92-63+,93-65+,94-67+,95-69-,96-71+,97-73+,98-75+,99-77+",KEVPZUBEAUSPNJ,OYHKHEHLSA,N,Dolichol-20,KEVPZUBEAUSPNJ-OYHKHEHLSA-N
HMDB05181,970.88696827,C70H114O,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO,"InChI=1S/C70H114O/c1-57(2)29-16-30-58(3)31-17-32-59(4)33-18-34-60(5)35-19-36-61(6)37-20-38-62(7)39-21-40-63(8)41-22-42-64(9)43-23-44-65(10)45-24-46-66(11)47-25-48-67(12)49-26-50-68(13)51-27-52-69(14)53-28-54-70(15)55-56-71/h29,31,33,35,37,39,41,43,45,47,49,51,53,55,71H,16-28,30,32,34,36,38,40,42,44,46,48,50,52,54,56H2,1-15H3/b58-31+,59-33+,60-35+,61-37+,62-39+,63-41+,64-43+,65-45+,66-47+,67-49+,68-51+,69-53+,70-55+",DLNRMPLOFNVUTQ,WIKVCOJLSA,N,Dolichol-14,DLNRMPLOFNVUTQ-WIKVCOJLSA-N
HMDB05189,650.60018174,C45H78O2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h12-13,26,35-36,38-42H,7-11,14-25,27-34H2,1-6H3/b13-12-/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1",BNQAKMBVXYXXED,XZMNDPPTSA,N,CE(18:1(11Z)),BNQAKMBVXYXXED-XZMNDPPTSA-N
HMDB05193,678.631481868,C47H82O2,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C47H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h14-15,28,37-38,40-44H,7-13,16-27,29-36H2,1-6H3/b15-14-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1",OWTYWMJVQZQWFH,JQTKPCACSA,N,CE(20:1(11Z)),OWTYWMJVQZQWFH-JQTKPCACSA-N
HMDB05199,179.094628665,C10H13NO2,CC1NCCC2=C1C=C(O)C(O)=C2,"InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3",IBRKLUSXDYATLG,UHFFFAOYSA,N,(R)-Salsolinol,IBRKLUSXDYATLG-UHFFFAOYSA-N
HMDB05356,806.736340868,C51H98O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3",PVNIQBQSYATKKL,UHFFFAOYSA,N,TG(16:0/16:0/16:0),PVNIQBQSYATKKL-UHFFFAOYSA-N
HMDB05357,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m0/s1",DQKMNCLZNGAXNX,DPDRHGIRSA,N,TG(16:0/16:0/18:0),DQKMNCLZNGAXNX-DPDRHGIRSA-N
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HMDB05370,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,38,41,54H,4-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,32-30-,41-38-/t54-/m0/s1",IBSUTTNKAUSOHR,WPQPACDXSA,N,"TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z))",IBSUTTNKAUSOHR-WPQPACDXSA-N
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HMDB05383,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-27,29,54H,4-24,28,30-53H2,1-3H3/b27-25-,29-26-/t54-/m0/s1",FPUBLSPUCGHELU,VMQTVZDXSA,N,TG(16:0/18:1(9Z)/20:1(11Z)),FPUBLSPUCGHELU-VMQTVZDXSA-N
HMDB05384,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,52H,4-15,17-18,20-24,29-51H2,1-3H3/b19-16-,27-25-,28-26-/t52-/m0/s1",KGLAHZTWGPHKFF,OCHJDYJZSA,N,"TG(16:0/18:1(9Z)/18:2(9Z,12Z))",KGLAHZTWGPHKFF-OCHJDYJZSA-N
HMDB05385,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,38,41,54H,4-15,17-18,20-24,28,31,33-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",KKABVOCYVJCRKP,LFLUISAQSA,N,"TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",KKABVOCYVJCRKP-LFLUISAQSA-N
HMDB05386,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,56H,4-24,29-55H2,1-3H3/b27-25-,28-26-/t56-/m0/s1",OJBGBKUEIBXOEG,HLWAOEQNSA,N,TG(16:0/20:1(11Z)/20:1(11Z)),OJBGBKUEIBXOEG-HLWAOEQNSA-N
HMDB05387,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,34,40,43,56H,4-15,17-18,20-24,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1",PLEMSHTWEHMXGY,HGVHFAFDSA,N,"TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",PLEMSHTWEHMXGY-HGVHFAFDSA-N
HMDB05388,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,54H,4-16,18-19,21-25,27-28,30-53H2,1-3H3/b20-17-,29-26-/t54-/m0/s1",KWUMWJZHUAQZMT,DSBSTBFVSA,N,"TG(16:0/18:2(9Z,12Z)/20:0)",KWUMWJZHUAQZMT-DSBSTBFVSA-N
HMDB05389,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,54H,4-16,18-19,21-24,28,30-53H2,1-3H3/b20-17-,27-25-,29-26-/t54-/m0/s1",YZEDZPDPXZLZNB,ZWFWDJCYSA,N,"TG(16:0/18:2(9Z,12Z)/20:1(11Z))",YZEDZPDPXZLZNB-ZWFWDJCYSA-N
HMDB05390,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,52H,4-15,18,21-24,29-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t52-/m0/s1",LXAWUIOWWNQCQA,QOFSRLOCSA,N,"TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))",LXAWUIOWWNQCQA-QOFSRLOCSA-N
HMDB05391,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,38,41,54H,4-15,18,21-24,28,31,33-37,39-40,42-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",NIQCHCDUIPSWDJ,NMAMUASOSA,N,"TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",NIQCHCDUIPSWDJ-NMAMUASOSA-N
HMDB05392,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,40-41,43-44,56H,4-15,18,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",UBGUHMDKBGQUND,XBKPWYIYSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",UBGUHMDKBGQUND-XBKPWYIYSA-N
HMDB05393,890.830241252,C57H110O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3",DCXXMTOCNZCJGO,UHFFFAOYSA,N,TG(18:0/18:0/18:0),DCXXMTOCNZCJGO-UHFFFAOYSA-N
HMDB05394,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",JFGIMQPGGNOOHN,UWGNJQTFSA,N,TG(18:0/18:0/20:0),JFGIMQPGGNOOHN-UWGNJQTFSA-N
HMDB05395,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,54H,4-24,26-27,29-53H2,1-3H3/b28-25-/t54-/m1/s1",YFFIQXNTTVSKJC,JRTFMWKKSA,N,TG(18:0/18:0/18:1(9Z)),YFFIQXNTTVSKJC-JRTFMWKKSA-N
HMDB05396,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25,28,56H,4-24,26-27,29-55H2,1-3H3/b28-25-/t56-/m0/s1",XCJBYQXUCQJPCZ,YLMVGIRGSA,N,TG(18:0/18:0/20:1(11Z)),XCJBYQXUCQJPCZ-YLMVGIRGSA-N
HMDB05397,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,54H,4-15,17-18,20-24,26-27,29-53H2,1-3H3/b19-16-,28-25-/t54-/m1/s1",ABFJWRKPWCFTQP,KJFPCCCASA,N,"TG(18:0/18:0/18:2(9Z,12Z))",ABFJWRKPWCFTQP-KJFPCCCASA-N
HMDB05398,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,40,43,56H,4-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,34-32-,43-40-/t56-/m0/s1",CIRJQIDEADRSMG,ZYKWSEAGSA,N,"TG(18:0/18:0/20:4(5Z,8Z,11Z,14Z))",CIRJQIDEADRSMG-ZYKWSEAGSA-N
HMDB05399,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",JWFYUJLOEJEIEC,XKJQNMSGSA,N,TG(18:0/20:0/20:0),JWFYUJLOEJEIEC-XKJQNMSGSA-N
HMDB05400,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,58H,4-24,26-27,29-57H2,1-3H3/b28-25-/t58-/m0/s1",IEHYPXAMXPJCDQ,GHEYVXKESA,N,TG(18:0/20:0/20:1(11Z)),IEHYPXAMXPJCDQ-GHEYVXKESA-N
HMDB05401,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,42,45,58H,4-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,28-25-,36-33-,45-42-/t58-/m0/s1",CCKRHDUCFMOBKX,QZCMQHALSA,N,"TG(18:0/20:0/20:4(5Z,8Z,11Z,14Z))",CCKRHDUCFMOBKX-QZCMQHALSA-N
HMDB05402,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h27,31,56H,4-26,28-30,32-55H2,1-3H3/b31-27-/t56-/m0/s1",OCYFAHIHWCVZKS,APPANRPNSA,N,TG(18:0/18:1(9Z)/20:0),OCYFAHIHWCVZKS-APPANRPNSA-N
HMDB05403,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,54H,4-24,26,29,31-53H2,1-3H3/b28-25-,30-27-/t54-/m1/s1",RYNHWWNZNIGDAQ,WNMJAFDRSA,N,TG(18:0/18:1(9Z)/18:1(9Z)),RYNHWWNZNIGDAQ-WNMJAFDRSA-N
HMDB05404,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25,27-28,31,56H,4-24,26,29-30,32-55H2,1-3H3/b28-25-,31-27-/t56-/m0/s1",OWMDNFFJJVRJMG,NPFPARCISA,N,TG(18:0/18:1(9Z)/20:1(11Z)),OWMDNFFJJVRJMG-NPFPARCISA-N
HMDB05405,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,54H,4-15,17-18,20-24,26,29,31-53H2,1-3H3/b19-16-,28-25-,30-27-/t54-/m1/s1",CNGSOZKJBWHOEG,XSLCMLJKSA,N,"TG(18:0/18:1(9Z)/18:2(9Z,12Z))",CNGSOZKJBWHOEG-XSLCMLJKSA-N
HMDB05406,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31-32,34,40,43,56H,4-15,17-18,20-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",ASJIHHXZZYYSQG,UGJDJQRKSA,N,"TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",ASJIHHXZZYYSQG-UGJDJQRKSA-N
HMDB05407,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,58H,4-24,27,30-57H2,1-3H3/b28-25-,29-26-/t58-/m0/s1",AFFQVAIMWFYJJS,WSWCACAZSA,N,TG(18:0/20:1(11Z)/20:1(11Z)),AFFQVAIMWFYJJS-WSWCACAZSA-N
HMDB05408,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,42,45,58H,4-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,45-42-/t58-/m0/s1",VYEHCBJKYMRUNF,MFCKHFDISA,N,"TG(18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",VYEHCBJKYMRUNF-MFCKHFDISA-N
HMDB05409,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,27,31,56H,4-17,19-20,22-26,28-30,32-55H2,1-3H3/b21-18-,31-27-/t56-/m0/s1",PDEQUPGHMOMBFC,MYJCFCEBSA,N,"TG(18:0/18:2(9Z,12Z)/20:0)",PDEQUPGHMOMBFC-MYJCFCEBSA-N
HMDB05410,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,31,56H,4-17,19-20,22-24,26,29-30,32-55H2,1-3H3/b21-18-,28-25-,31-27-/t56-/m0/s1",MITMUAAWQVPOIU,OICXNWLVSA,N,"TG(18:0/18:2(9Z,12Z)/20:1(11Z))",MITMUAAWQVPOIU-OICXNWLVSA-N
HMDB05411,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,54H,4-15,17,20,22-24,26,29,31-53H2,1-3H3/b19-16-,21-18-,28-25-,30-27-/t54-/m1/s1",PJHDLKOEJMDTBE,YWDBEOBSSA,N,"TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))",PJHDLKOEJMDTBE-YWDBEOBSSA-N
HMDB05412,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31-32,34,40,43,56H,4-15,17,20,22-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",CKEOSPBKHRUVTN,WDVRSESKSA,N,"TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",CKEOSPBKHRUVTN-WDVRSESKSA-N
HMDB05413,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-15,18,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",KWIGMCRWEINBIR,IEIHCGBOSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",KWIGMCRWEINBIR-IEIHCGBOSA-N
HMDB05414,974.924141636,C63H122O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3",KCVWRCXEUJUXIG,UHFFFAOYSA,N,TG(20:0/20:0/20:0),KCVWRCXEUJUXIG-UHFFFAOYSA-N
HMDB05415,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,60H,4-24,26-27,29-59H2,1-3H3/b28-25-/t60-/m1/s1",YNDXXWKSWMKVGO,UGLYWXKVSA,N,TG(20:0/20:0/20:1(11Z)),YNDXXWKSWMKVGO-UGLYWXKVSA-N
HMDB05416,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,34,37,43,46,60H,4-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,37-34-,46-43-/t60-/m1/s1",PORGMKLTIBAGKT,OFOBRNGWSA,N,"TG(20:0/20:0/20:4(5Z,8Z,11Z,14Z))",PORGMKLTIBAGKT-OFOBRNGWSA-N
HMDB05418,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,60H,4-24,26,29,31-59H2,1-3H3/b28-25-,30-27-/t60-/m1/s1",QPNVLDQSHXVPMG,XBDORNQTSA,N,TG(20:0/20:1(11Z)/20:1(11Z)),QPNVLDQSHXVPMG-XBDORNQTSA-N
HMDB05419,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,37,43,46,60H,4-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,46-43-/t60-/m1/s1",VRTWSWFWQKBUDP,ZWVRCNAISA,N,"TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",VRTWSWFWQKBUDP-ZWVRCNAISA-N
HMDB05420,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",ZZUYNPSYAPCHJT,YUPTWLKPSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",ZZUYNPSYAPCHJT-YUPTWLKPSA-N
HMDB05421,860.783291069,C55H104O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,52H,4-20,22-23,25-51H2,1-3H3/b24-21-/t52-/m0/s1",CDKITPQUODTFLF,CUWXFNSGSA,N,TG(16:1(9Z)/18:0/18:0),CDKITPQUODTFLF-CUWXFNSGSA-N
HMDB05422,888.814591198,C57H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,54H,4-20,22-23,25-53H2,1-3H3/b24-21-/t54-/m0/s1",UTGDZOIOODXGAH,XVDGJACESA,N,TG(16:1(9Z)/18:0/20:0),UTGDZOIOODXGAH-XVDGJACESA-N
HMDB05423,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,52H,4-20,22-23,26,28-51H2,1-3H3/b24-21-,27-25-/t52-/m0/s1",SZXNLYZNXCGSMY,QCDITCLJSA,N,TG(16:1(9Z)/18:0/18:1(9Z)),SZXNLYZNXCGSMY-QCDITCLJSA-N
HMDB05424,886.798941133,C57H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,54H,4-20,22-23,26,28-53H2,1-3H3/b24-21-,27-25-/t54-/m0/s1",MMEBJAFEPYJMGH,QUNGEIKTSA,N,TG(16:1(9Z)/18:0/20:1(11Z)),MMEBJAFEPYJMGH-QUNGEIKTSA-N
HMDB05425,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,52H,4-15,17-18,20,22-23,26,28-51H2,1-3H3/b19-16-,24-21-,27-25-/t52-/m0/s1",HLYOUKKBNQIMLH,WJGOVXLHSA,N,"TG(16:1(9Z)/18:0/18:2(9Z,12Z))",HLYOUKKBNQIMLH-WJGOVXLHSA-N
HMDB05426,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,38,41,54H,4-15,17-18,20,22-23,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,41-38-/t54-/m0/s1",ITWBZDOMDJKFCH,YDOBIKPESA,N,"TG(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))",ITWBZDOMDJKFCH-YDOBIKPESA-N
HMDB05427,916.845891326,C59H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-/t56-/m0/s1",KJVYOEKCDNOOAP,HDIOEILJSA,N,TG(16:1(9Z)/20:0/20:0),KJVYOEKCDNOOAP-HDIOEILJSA-N
HMDB05428,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-/t56-/m0/s1",XOCUQHRPEPNSJE,VFBDGFDBSA,N,TG(16:1(9Z)/20:0/20:1(11Z)),XOCUQHRPEPNSJE-VFBDGFDBSA-N
HMDB05429,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,34,40,43,56H,4-15,17-18,20,22-23,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,27-25-,34-31-,43-40-/t56-/m0/s1",VBUYRYWKPKRTDI,BVNBNQLZSA,N,"TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))",VBUYRYWKPKRTDI-BVNBNQLZSA-N
HMDB05430,830.736340876,C53H98O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20-21,23-24,50H,4-19,22,25-49H2,1-3H3/b23-20-,24-21-/t50-/m0/s1",QEZWFCZNHWUARW,COINXZMHSA,N,TG(16:1(9Z)/16:1(9Z)/18:0),QEZWFCZNHWUARW-COINXZMHSA-N
HMDB05431,858.767641004,C55H102O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20-21,23-24,52H,4-19,22,25-51H2,1-3H3/b23-20-,24-21-/t52-/m0/s1",KKJVTOLWRSMFEP,HMQGRVOVSA,N,TG(16:1(9Z)/16:1(9Z)/20:0),KKJVTOLWRSMFEP-HMQGRVOVSA-N
HMDB05432,800.689390676,C51H92O6,CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,48H,4-18,25-47H2,1-3H3/b22-19-,23-20-,24-21-",SKGWNZXOCSYJQL,BUTYCLJRSA,N,TG(16:1(9Z)/16:1(9Z)/16:1(9Z)),SKGWNZXOCSYJQL-BUTYCLJRSA-N
HMDB05433,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20-21,23-26,50H,4-19,22,27-49H2,1-3H3/b23-20-,24-21-,26-25-/t50-/m0/s1",UFHNZOACKFBCOM,FJPVJUSQSA,N,TG(16:1(9Z)/16:1(9Z)/18:1(9Z)),UFHNZOACKFBCOM-FJPVJUSQSA-N
HMDB05434,856.75199094,C55H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20-21,23-26,52H,4-19,22,27-51H2,1-3H3/b23-20-,24-21-,26-25-/t52-/m0/s1",YCIPIGLQWOQUJK,GJRCKUEISA,N,TG(16:1(9Z)/16:1(9Z)/20:1(11Z)),YCIPIGLQWOQUJK-GJRCKUEISA-N
HMDB05435,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-21,23-26,50H,4-15,17-18,22,27-49H2,1-3H3/b19-16-,23-20-,24-21-,26-25-/t50-/m0/s1",PVMBAGXWHHZKFP,UMJFRGJPSA,N,"TG(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))",PVMBAGXWHHZKFP-UMJFRGJPSA-N
HMDB05436,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-21,23-26,28,31,36,39,52H,4-15,17-18,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,31-28-,39-36-/t52-/m0/s1",SWYCMJAKZYLTJN,FHYREDOXSA,N,"TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",SWYCMJAKZYLTJN-FHYREDOXSA-N
HMDB05437,886.798941133,C57H106O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,54H,4-20,22-23,25,27-28,30-53H2,1-3H3/b24-21-,29-26-/t54-/m0/s1",INYBBHQUSIBINH,PBQHXTIFSA,N,TG(16:1(9Z)/18:1(9Z)/20:0),INYBBHQUSIBINH-PBQHXTIFSA-N
HMDB05438,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,52H,4-20,22-23,29-51H2,1-3H3/b24-21-,27-25-,28-26-/t52-/m0/s1",YBWITEZBUYUNFC,JZBMGIQCSA,N,TG(16:1(9Z)/18:1(9Z)/18:1(9Z)),YBWITEZBUYUNFC-JZBMGIQCSA-N
HMDB05439,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-27,29,54H,4-20,22-23,28,30-53H2,1-3H3/b24-21-,27-25-,29-26-/t54-/m0/s1",OVEMPQUFJMCLKI,XYSPBAOWSA,N,TG(16:1(9Z)/18:1(9Z)/20:1(11Z)),OVEMPQUFJMCLKI-XYSPBAOWSA-N
HMDB05440,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,52H,4-15,17-18,20,22-23,29-51H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t52-/m0/s1",WHSWXEYWNPTUPW,JRKROUSYSA,N,"TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))",WHSWXEYWNPTUPW-JRKROUSYSA-N
HMDB05441,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-30,32,38,41,54H,4-15,17-18,20,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",CDNDFDKFZBPPFW,DZTVDHQXSA,N,"TG(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",CDNDFDKFZBPPFW-DZTVDHQXSA-N
HMDB05442,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,56H,4-20,22-23,29-55H2,1-3H3/b24-21-,27-25-,28-26-/t56-/m0/s1",OBZKXGCSGQZRJN,MMGGURLXSA,N,TG(16:1(9Z)/20:1(11Z)/20:1(11Z)),OBZKXGCSGQZRJN-MMGGURLXSA-N
HMDB05443,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,34,40,43,56H,4-15,17-18,20,22-23,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1",NNCCJKNBYUHUAL,VYFMULNHSA,N,"TG(16:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",NNCCJKNBYUHUAL-VYFMULNHSA-N
HMDB05444,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,54H,4-16,18-19,22-23,25,27-28,30-53H2,1-3H3/b20-17-,24-21-,29-26-/t54-/m0/s1",MSQBYCWSXAUJHK,YNOLVQETSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/20:0)",MSQBYCWSXAUJHK-YNOLVQETSA-N
HMDB05445,882.767641004,C57H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,54H,4-16,18-19,22-23,28,30-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-/t54-/m0/s1",SZYBCITYDACFEY,DPJFVPNFSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))",SZYBCITYDACFEY-DPJFVPNFSA-N
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HMDB05465,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,37,43,46,60H,4-15,17-18,20-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,46-43-/t60-/m1/s1",GGNMBNAJWKYLBB,WODJHLBGSA,N,"TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",GGNMBNAJWKYLBB-WODJHLBGSA-N
HMDB05466,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,43,45-46,48,60H,4-15,17,20,22-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",BZPDQOHIKFKCEV,PDSJDQCGSA,N,"TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",BZPDQOHIKFKCEV-PDSJDQCGSA-N
HMDB05467,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,32,58H,4-17,19-20,22-26,28-31,33-57H2,1-3H3/b21-18-,32-27-/t58-/m0/s1",VYGDFJHLNCSFJZ,BBSNEIHHSA,N,"TG(18:2(9Z,12Z)/20:0/20:0)",VYGDFJHLNCSFJZ-BBSNEIHHSA-N
HMDB05468,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32,58H,4-17,19-20,22-24,26,29-31,33-57H2,1-3H3/b21-18-,28-25-,32-27-/t58-/m0/s1",WYUNJFXMLHILJN,PXGVGEJDSA,N,"TG(18:2(9Z,12Z)/20:0/20:1(11Z))",WYUNJFXMLHILJN-PXGVGEJDSA-N
HMDB05469,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,36,42,45,58H,4-15,17,20,22-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,36-33-,45-42-/t58-/m0/s1",KPXSIVREYDDZCU,QJVFMJIZSA,N,"TG(18:2(9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))",KPXSIVREYDDZCU-QJVFMJIZSA-N
HMDB05470,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32,58H,4-17,19-20,22-24,30-31,33-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-/t58-/m0/s1",OYDPSWDUKLRDNF,QAYHTBTLSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))",OYDPSWDUKLRDNF-QAYHTBTLSA-N
HMDB05471,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-33,36,42,45,58H,4-15,17,20,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m0/s1",WIEYWJBWWKRMJU,TVRIUJKBSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",WIEYWJBWWKRMJU-TVRIUJKBSA-N
HMDB05472,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,30-31,56H,4-16,19,22-25,28-29,32-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-/t56-/m0/s1",VWXJLMSFRQUUMS,QQPCVMIQSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)",VWXJLMSFRQUUMS-QQPCVMIQSA-N
HMDB05473,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-31,56H,4-16,19,22-24,29,32-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m0/s1",UHEJWASONFIROS,PQBVVZJQSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:1(11Z))",UHEJWASONFIROS-PQBVVZJQSA-N
HMDB05474,878.736340868,C57H98O6,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-",HBOQXIRUPVQLKX,BBWANDEASA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",HBOQXIRUPVQLKX-BBWANDEASA-N
HMDB05475,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-32,34,40,43,56H,4-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1",LEIBLJJIUBRCFU,IEDKIGABSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",LEIBLJJIUBRCFU-IEDKIGABSA-N
HMDB05476,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-34,36-37,42-43,45-46,58H,4-15,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",GXWBCAVCOMAOHT,JRBFJTAESA,N,"TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",GXWBCAVCOMAOHT-JRBFJTAESA-N
HMDB05478,950.736340868,C63H98O6,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,60H,4-15,22-24,31-33,40-42,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-",HYVJNYYVNIYMDK,QSEXIABDSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",HYVJNYYVNIYMDK-QSEXIABDSA-N
HMDB05760,256.073558872,C15H12O4,OC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2",JHYXBPPMXZIHKG,UHFFFAOYSA,N,Dihydrodaidzein,JHYXBPPMXZIHKG-UHFFFAOYSA-N
HMDB05764,284.184840654,C13H24N4O3,CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O,"InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1",NOOJLZTTWSNHOX,UWVGGRQHSA,N,Melanostatin,NOOJLZTTWSNHOX-UWVGGRQHSA-N
HMDB05765,289.127385355,C11H19N3O6,CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1",JCMUOFQHZLPHQP,BQBZGAKWSA,N,Ophthalmic acid,JCMUOFQHZLPHQP-BQBZGAKWSA-N
HMDB05766,275.111735291,C10H17N3O6,C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C10H17N3O6/c1-5(9(17)12-4-8(15)16)13-7(14)3-2-6(11)10(18)19/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",RPVCUZZJCXVVDW,WDSKDSINSA,N,Norophthalmic acid,RPVCUZZJCXVVDW-WDSKDSINSA-N
HMDB05767,254.137890462,C11H18N4O3,CN1C=NC=C1C[C@H](NC(=O)CCCN)C(O)=O,"InChI=1S/C11H18N4O3/c1-15-7-13-6-8(15)5-9(11(17)18)14-10(16)3-2-4-12/h6-7,9H,2-5,12H2,1H3,(H,14,16)(H,17,18)/t9-/m0/s1",HXBKNURIXGGFCX,VIFPVBQESA,N,Homoanserine,HXBKNURIXGGFCX-VIFPVBQESA-N
HMDB05768,337.175004249,C15H23N5O4,N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)/t11-,12-/m0/s1",JXNRXNCCROJZFB,RYUDHWBXSA,N,Kyotorphin,JXNRXNCCROJZFB-RYUDHWBXSA-N
HMDB05769,240.122240398,C10H16N4O3,CN1C=NC(C[C@H](NC(=O)CCN)C(O)=O)=C1,"InChI=1S/C10H16N4O3/c1-14-5-7(12-6-14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1",SLRNWACWRVGMKD,QMMMGPOBSA,N,Balenine,SLRNWACWRVGMKD-QMMMGPOBSA-N
HMDB05770,500.307081052,C21H40N8O6,C[C@@H](O)[C@H](N)C(=O)NC(CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13?,14+,15+,16+/m1/s1",IESDGNYHXIOKRW,NNFXCFJSSA,N,Tuftsin,IESDGNYHXIOKRW-NNFXCFJSSA-N
HMDB05771,456.244480796,C18H32N8O6,NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C18H32N8O6/c19-9-14(28)24-10(5-6-13(20)27)16(30)26-8-2-4-12(26)15(29)25-11(17(31)32)3-1-7-23-18(21)22/h10-12H,1-9,19H2,(H2,20,27)(H,24,28)(H,25,29)(H,31,32)(H4,21,22,23)/t10-,11-,12-/m0/s1",UEJYSALTSUZXFV,SRVKXCTJSA,N,Rigin,UEJYSALTSUZXFV-SRVKXCTJSA-N
HMDB05772,496.31216643,C22H40N8O5,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C22H40N8O5/c23-10-2-1-6-14(18(31)29-16(21(34)35)8-4-12-27-22(24)25)28-19(32)17-9-5-13-30(17)20(33)15-7-3-11-26-15/h14-17,26H,1-13,23H2,(H,28,32)(H,29,31)(H,34,35)(H4,24,25,27)/t14-,15-,16-,17-/m0/s1",WUUNPBLZLWVARQ,QAETUUGQSA,N,Postin,WUUNPBLZLWVARQ-QAETUUGQSA-N
HMDB05773,610.290368356,C34H38N6O5,N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1",ZEXLJFNSKAHNFH,SYKYGTKKSA,N,Endomorphin-1,ZEXLJFNSKAHNFH-SYKYGTKKSA-N
HMDB05774,571.279469319,C32H37N5O5,N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1",XIJHWXXXIMEHKW,LJWNLINESA,N,Endomorphin-2,XIJHWXXXIMEHKW-LJWNLINESA-N
HMDB05775,596.241703604,C29H36N6O6S,CSCC[C@H](NC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22-,23-,24-/m0/s1",RGYLYUZOGHTBRF,BIHRQFPBSA,N,Tetragastrin,RGYLYUZOGHTBRF-BIHRQFPBSA-N
HMDB05776,500.307081052,C21H40N8O6,C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O,"InChI=1S/C21H40N8O6/c1-12(30)16(23)19(33)29-11-5-8-15(29)18(32)27-13(7-4-10-26-21(24)25)17(31)28-14(20(34)35)6-2-3-9-22/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13+,14+,15+,16+/m1/s1",OTAMFXXAGYBAQL,YXMSTPNBSA,N,Kentsin,OTAMFXXAGYBAQL-YXMSTPNBSA-N
HMDB05777,521.263819255,C28H35N5O5,N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O,"InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1",LSQXZIUREIDSHZ,ZJZGAYNASA,N,Morphiceptin,LSQXZIUREIDSHZ-ZJZGAYNASA-N
HMDB05779,751.551590367,C43H78NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,35,38,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",URPXXNCTXCOATD,FXMFQVEGSA,N,"PE(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z))",URPXXNCTXCOATD-FXMFQVEGSA-N
HMDB05780,747.520290239,C43H74NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,35,38,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30-,38-35-/t42-/m1/s1",WVGALBKSWOUIEZ,XNHMFJFDSA,N,"PE(O-16:1(1Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WVGALBKSWOUIEZ-XNHMFJFDSA-N
HMDB05781,284.068473486,C16H12O5,COC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1,"InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",DXYUAIFZCFRPTH,UHFFFAOYSA,N,Glycitein,DXYUAIFZCFRPTH-UHFFFAOYSA-N
HMDB05782,302.07903818,C16H14O6,COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",AIONOLUJZLIMTK,AWEZNQCLSA,N,Hesperetin,AIONOLUJZLIMTK-AWEZNQCLSA-N
HMDB05783,294.18310932,C17H26O4,CCCCCC(O)CC(=O)CCC1=CC=C(O)C(OC)=C1,"InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3",NLDDIKRKFXEWBK,UHFFFAOYSA,N,Gingerol,NLDDIKRKFXEWBK-UHFFFAOYSA-N
HMDB05784,154.062994186,C8H10O3,OCCC1=CC=C(O)C(O)=C1,"InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2",JUUBCHWRXWPFFH,UHFFFAOYSA,N,Hydroxytyrosol,JUUBCHWRXWPFFH-UHFFFAOYSA-N
HMDB05785,147.068413915,C9H9NO,OCC1=CNC2=CC=CC=C12,"InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2",IVYPNXXAYMYVSP,UHFFFAOYSA,N,Indole-3-carbinol,IVYPNXXAYMYVSP-UHFFFAOYSA-N
HMDB05786,716.137734848,C36H28O16,O[C@@H]1CC2=C(O[C@@H]1C1=CC3=C(C(O)=C(O)C(=C3)[C@H]3OC4=C(C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=CC(O)=C4)C(=O)C(O)=C1)C=C(O)C=C2O,"InChI=1S/C36H28O16/c37-15-6-20(39)17-10-25(44)34(50-26(17)8-15)13-1-12-2-19(30(45)33(48)29(12)32(47)24(43)3-13)35-28(11-18-21(40)7-16(38)9-27(18)51-35)52-36(49)14-4-22(41)31(46)23(42)5-14/h1-9,25,28,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t25-,28-,34-,35-/m1/s1",AATSUYYYTHJRJO,RZYARBFNSA,N,Theaflavin-3-gallate,AATSUYYYTHJRJO-RZYARBFNSA-N
HMDB05788,564.126776232,C29H24O12,O[C@@H]1CC2=C(O[C@@H]1C1=CC3=C(C(O)=C1O)C(=O)C(O)=CC(=C3)[C@H]1OC3=C(C[C@H]1O)C(O)=CC(O)=C3)C=C(O)C=C2O,"InChI=1S/C29H24O12/c30-12-4-17(32)14-8-20(35)28(40-22(14)6-12)11-1-10-2-16(25(37)27(39)24(10)26(38)19(34)3-11)29-21(36)9-15-18(33)5-13(31)7-23(15)41-29/h1-7,20-21,28-33,35-37,39H,8-9H2,(H,34,38)/t20-,21-,28-,29-/m1/s1",MKTFRRIBCBTOKJ,CRFHJIRQSA,N,Theaflavin,MKTFRRIBCBTOKJ-CRFHJIRQSA-N
HMDB05789,372.1572885,C21H24O6,COC1=CC(CCC(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O,"InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3",LBTVHXHERHESKG,UHFFFAOYSA,N,Tetrahydrocurcumin,LBTVHXHERHESKG-UHFFFAOYSA-N
HMDB05790,620.064963836,C26H20O18,O[C@@H]1[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@@H]1[C@@H]2O,"InChI=1S/C26H20O18/c27-8-1-5(2-9(28)14(8)31)22(38)42-25-19(36)21-20(37)26(44-25)43-24(40)7-4-11(30)16(33)18(35)13(7)12-6(23(39)41-21)3-10(29)15(32)17(12)34/h1-4,19-21,25-37H/t19-,20-,21-,25+,26-/m0/s1",VXMKYRQZQXVKGB,CWWHNZPOSA,N,Tannin,VXMKYRQZQXVKGB-CWWHNZPOSA-N
HMDB05792,177.028205359,C6H11NOS2,CS(=O)CCCCN=C=S,"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3",SUVMJBTUFCVSAD,UHFFFAOYSA,N,Sulforaphane,SUVMJBTUFCVSAD-UHFFFAOYSA-N
HMDB05794,302.042652674,C15H10O7,OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",REFJWTPEDVJJIY,UHFFFAOYSA,N,Quercetin,REFJWTPEDVJJIY-UHFFFAOYSA-N
HMDB05795,1084.066539556,C48H28O30,OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=C(O)C(O)=C(O)C=C2C2=C(O)C(O)=C(O)C=C2C(=O)OC1C=O,"InChI=1S/C48H28O30/c49-5-16-40(76-46(70)20-7(1-11(50)30(58)34(20)62)17-8(44(68)74-16)2-12(51)27(55)31(17)59)39-15(54)6-73-43(67)9-3-13(52)28(56)32(60)18(9)21-25-23-24-26(48(72)78-41(23)37(65)35(21)63)22(36(64)38(66)42(24)77-47(25)71)19-10(45(69)75-39)4-14(53)29(57)33(19)61/h1-5,15-16,39-40,50-66H,6H2",BFMMRDUWGRKGNX,UHFFFAOYSA,N,Punicalagin,BFMMRDUWGRKGNX-UHFFFAOYSA-N
HMDB05796,330.167853186,C16H26O7,CC1=C(C=O)C(C)(C)C[C@@H](C1)O[C@@H]1O[C@H](CO)C(O)[C@H](O)C1O,"InChI=1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12?,13+,14?,15-/m1/s1",WMHJCSAICLADIN,VKSCUUAMSA,N,Picrocrocin,WMHJCSAICLADIN-VKSCUUAMSA-N
HMDB05797,336.040065855,C16H13ClO6,[Cl-].COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O,"InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H",OGBSHLKSHNAPEW,UHFFFAOYSA,N,Peonidin,OGBSHLKSHNAPEW-UHFFFAOYSA-N
HMDB05798,358.178023942,C21H26O5,OC1=CC=CC(O)=C1C(=O)CCCCCCCCC1=CC(O)=C(O)C=C1,"InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2",HCOZRFYGIFMIEX,UHFFFAOYSA,N,Malabaricone C,HCOZRFYGIFMIEX-UHFFFAOYSA-N
HMDB05799,578.163555668,C27H30O14,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC3=C(C=C2)C(=O)C=C(O3)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)19(9-28)40-27(25)38-12-3-4-13-15(30)8-17(39-18(13)7-12)11-2-5-14(29)16(31)6-11/h2-8,10,19-29,31-36H,9H2,1H3/t10-,19+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",YYKZZPUWJLNPMU,POFBTZLFSA,N,Scolymoside,YYKZZPUWJLNPMU-POFBTZLFSA-N
HMDB05800,286.047738052,C15H10O6,OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=C(O)C(O)=C1,"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",IQPNAANSBPBGFQ,UHFFFAOYSA,N,Luteolin,IQPNAANSBPBGFQ-UHFFFAOYSA-N
HMDB05801,286.047738052,C15H10O6,OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",IYRMWMYZSQPJKC,UHFFFAOYSA,N,Kaempferol,IYRMWMYZSQPJKC-UHFFFAOYSA-N
HMDB05802,164.083729628,C10H12O2,COC1=CC(\C=C\C)=CC=C1O,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+",BJIOGJUNALELMI,ONEGZZNKSA,N,Isoeugenol,BJIOGJUNALELMI-ONEGZZNKSA-N
HMDB05805,134.109550451,C10H14,CC(C)C1=CC=C(C)C=C1,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",HFPZCAJZSCWRBC,UHFFFAOYSA,N,p-Cymene,HFPZCAJZSCWRBC-UHFFFAOYSA-N
HMDB05806,136.125200515,C10H16,CC(C)C1=CCC(C)=CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",YKFLAYDHMOASIY,UHFFFAOYSA,N,Gamma-terpinene,YKFLAYDHMOASIY-UHFFFAOYSA-N
HMDB05807,170.021523293,C7H6O5,OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",LNTHITQWFMADLM,UHFFFAOYSA,N,Gallic acid,LNTHITQWFMADLM-UHFFFAOYSA-N
HMDB05808,268.073558866,C16H12O4,COC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3",HKQYGTCOTHHOMP,UHFFFAOYSA,N,Formononetin,HKQYGTCOTHHOMP-UHFFFAOYSA-N
HMDB05809,164.083729628,C10H12O2,COC1=C(O)C=CC(CC=C)=C1,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",RRAFCDWBNXTKKO,UHFFFAOYSA,N,Eugenol,RRAFCDWBNXTKKO-UHFFFAOYSA-N
HMDB05810,288.063388116,C15H12O6,OC1=CC2=C(C(=O)C[C@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",SBHXYTNGIZCORC,ZDUSSCGKSA,N,Eriodictyol,SBHXYTNGIZCORC-ZDUSSCGKSA-N
HMDB05811,596.174120354,C27H32O15,[H][C@]1(CC(=O)C2=C(C1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O)C1=CC=C(O)C(O)=C1,"InChI=1S/C27H32O15/c28-13-2-1-9(5-14(13)29)10-3-11-4-12(7-16(31)18(11)15(30)6-10)40-27-24(37)20(33)19(32)17(41-27)8-39-26-23(36)21(34)22(35)25(38)42-26/h1-2,4-5,7,10,17,19-29,31-38H,3,6,8H2/t10-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27+/m0/s1",AZXIAVOSESIQNG,SCXABSQUSA,N,Eriocitrin,AZXIAVOSESIQNG-SCXABSQUSA-N
HMDB05812,154.1357652,C10H18O,CC(C)=CCC\C(C)=C/CO,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-",GLZPCOQZEFWAFX,YFHOEESVSA,N,Geraniol,GLZPCOQZEFWAFX-YFHOEESVSA-N
HMDB05814,400.297745146,C26H40O3,[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1",VOCBWIIFXDYGNZ,IXKNJLPQSA,N,Testosterone enanthate,VOCBWIIFXDYGNZ-IXKNJLPQSA-N
HMDB05817,367.147846025,C14H25NO10,CC1OC(OCC(O)C(O)C(O)C(NC(C)=O)C=O)C(O)C(O)C1O,"InChI=1S/C14H25NO10/c1-5-9(19)12(22)13(23)14(25-5)24-4-8(18)11(21)10(20)7(3-16)15-6(2)17/h3,5,7-14,18-23H,4H2,1-2H3,(H,15,17)",YBWAUUBLHOFOPK,UHFFFAOYSA,N,2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose,YBWAUUBLHOFOPK-UHFFFAOYSA-N
HMDB05821,368.256274262,C21H36O5,[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,18-,19+,20+,21+/m1/s1",FFPUNPBUZDTHJI,ZFOKFBPFSA,N,Beta-Cortol,FFPUNPBUZDTHJI-ZFOKFBPFSA-N
HMDB05823,1364.496421084,C52H88N2O39,CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C5O)C(NC(C)=O)C4OC4OC(C)C(O)C(O)C4O)C3O)C(NC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C52H88N2O39/c1-12-25(66)31(72)34(75)48(80-12)88-40-21(10-60)85-47(24(54-15(4)63)43(40)91-50-36(77)33(74)28(69)18(7-57)82-50)93-45-30(71)20(9-59)84-52(38(45)79)89-41-22(11-61)86-46(23(53-14(3)62)42(41)90-49-35(76)32(73)26(67)13(2)81-49)92-44-29(70)19(8-58)83-51(37(44)78)87-39(17(65)6-56)27(68)16(64)5-55/h5,12-13,16-52,56-61,64-79H,6-11H2,1-4H3,(H,53,62)(H,54,63)",BCUMESVDMXHZRL,UHFFFAOYSA,N,Difucosyllacto-N-hexaose I,BCUMESVDMXHZRL-UHFFFAOYSA-N
HMDB05826,342.116211546,C12H22O11,OC[C@H]1O[C@H](OC2[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5?,6-,7+,8-,9-,10-,11?,12-/m1/s1",VCWMRQDBPZKXKG,SPBUTQSFSA,N,Galactinol,VCWMRQDBPZKXKG-SPBUTQSFSA-N
HMDB05830,276.245315646,C19H32O,[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1",DJTOLSNIKJIDFF,LOVVWNRFSA,N,5a-Androstan-3b-ol,DJTOLSNIKJIDFF-LOVVWNRFSA-N
HMDB05831,262.04536859,C6H15O9P,OCC(O)C(O)C(O)C(O)COP(O)(O)=O,"InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)",GACTWZZMVMUKNG,UHFFFAOYSA,N,Sorbitol-6-phosphate,GACTWZZMVMUKNG-UHFFFAOYSA-N
HMDB05832,316.203844762,C20H28O3,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C,"InChI=1S/C20H28O3/c1-18-7-4-12(21)10-16(18)17(22)11-13-14(18)5-8-19(2)15(13)6-9-20(19,3)23/h4,7,10,13-15,17,22-23H,5-6,8-9,11H2,1-3H3/t13-,14+,15+,17-,18-,19+,20+/m1/s1",OBCJFTMGLMNCTJ,INIPNLRTSA,N,6b-Hydroxymethandienone,OBCJFTMGLMNCTJ-INIPNLRTSA-N
HMDB05841,114.10446507,C7H14O,CCC(=O)CC(C)C,"InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3",DXVYLFHTJZWTRF,UHFFFAOYSA,N,Ethyl isobutyl ketone,DXVYLFHTJZWTRF-UHFFFAOYSA-N
HMDB05842,100.088815006,C6H12O,CCCCC(C)=O,"InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3",QQZOPKMRPOGIEB,UHFFFAOYSA,N,2-Oxohexane,QQZOPKMRPOGIEB-UHFFFAOYSA-N
HMDB05843,99.014269855,C4H5NS,C=CCN=C=S,"InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2",ZOJBYZNEUISWFT,UHFFFAOYSA,N,Allyl isothiocyanate,ZOJBYZNEUISWFT-UHFFFAOYSA-N
HMDB05844,352.224974134,C20H32O5,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19+/m0/s1",XEYBRNLFEZDVAW,CLQOMRTCSA,N,8-isoprostaglandin E2,XEYBRNLFEZDVAW-CLQOMRTCSA-N
HMDB05846,100.088815006,C6H12O,CCC(=O)C(C)C,"InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3",HYTRYEXINDDXJK,UHFFFAOYSA,N,Ethyl isopropyl ketone,HYTRYEXINDDXJK-UHFFFAOYSA-N
HMDB05849,290.224580204,C19H30O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C[C@@H](O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1",BTTWKVFKBPAFDK,LOVVWNRFSA,N,4-Androstenediol,BTTWKVFKBPAFDK-LOVVWNRFSA-N
HMDB05862,297.107318615,C11H15N5O5,CNC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C11H15N5O5/c1-12-11-14-8-5(9(20)15-11)13-3-16(8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15,20)/t4-,6-,7-,10-/m1/s1",SLEHROROQDYRAW,KQYNXXCUSA,N,2-Methylguanosine,SLEHROROQDYRAW-KQYNXXCUSA-N
HMDB05869,524.893394749,C15H13I2NO4,N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C=C1)C(O)=O,"InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m1/s1",CPCJBZABTUOGNM,GFCCVEGCSA,N,"3,3'-Diiodothyronine",CPCJBZABTUOGNM-GFCCVEGCSA-N
HMDB05874,258.984405838,C9H10BrNO3,NC(CC1=CC=C(O)C(Br)=C1)C(O)=O,"InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)",HGWOSUKIFQMEIF,UHFFFAOYSA,N,3-Bromotyrosine,HGWOSUKIFQMEIF-UHFFFAOYSA-N
HMDB05876,164.068473494,C6H12O5,[H]OC([H])([H])C(=O)C([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H],"InChI=1S/C6H12O5/c7-2-4(9)1-5(10)6(11)3-8/h5-8,10-11H,1-3H2/t5-,6+/m0/s1",OXFWZSUJNURRMW,NTSWFWBYSA,N,3-Deoxyfructose,OXFWZSUJNURRMW-NTSWFWBYSA-N
HMDB05879,93.991091572,C2H6S2,CSSC,InChI=1S/C2H6S2/c1-3-4-2/h1-2H3,WQOXQRCZOLPYPM,UHFFFAOYSA,N,Dimethyldisulfide,WQOXQRCZOLPYPM-UHFFFAOYSA-N
HMDB05886,276.20893014,C18H28O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12[H],"InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,18+/m1/s1",UOUIARGWRPHDBX,DHMVHTBWSA,N,19-Noretiocholanolone,UOUIARGWRPHDBX-DHMVHTBWSA-N
HMDB05895,286.15689457,C18H22O3,C[C@@]12CCC3C(CCC4=C3C=CC(O)=C4O)C1CCC2=O,"InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11?,12?,14?,18-/m1/s1",XQZVQQZZOVBNLU,KQWCVQSUSA,N,4-Hydroxyestrone,XQZVQQZZOVBNLU-KQWCVQSUSA-N
HMDB05896,288.172544634,C18H24O3,C[C@]12CCC3C(CCC4=C3C=CC(O)=C4O)C1CC[C@@H]2O,"InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11?,12?,14?,16-,18-/m0/s1",QOZFCKXEVSGWGS,JNYWYMJGSA,N,4-Hydroxyestradiol,QOZFCKXEVSGWGS-JNYWYMJGSA-N
HMDB05897,272.068473494,C15H12O5,OC1=CC=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2",UQGVUYNHDKMLSE,UHFFFAOYSA,N,Dihydrogenistein,UQGVUYNHDKMLSE-UHFFFAOYSA-N
HMDB05923,285.096085227,C11H15N3O6,CC(=O)NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1",NIDVTARKFBZMOT,PEBGCTIMSA,N,N4-Acetylcytidine,NIDVTARKFBZMOT-PEBGCTIMSA-N
HMDB05935,274.229665582,C19H30O,[H][C@@]12CC=C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]([H])(O)CC[C@]12C,"InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1",KRVXMNNRSSQZJP,PHFHYRSDSA,N,Androstenol,KRVXMNNRSSQZJP-PHFHYRSDSA-N
HMDB05943,288.281701152,C21H36,CCC1CCC2C3CCC4CCCCC4(C)C3CCC12C,"InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3",JWMFYGXQPXQEEM,UHFFFAOYSA,N,5b-Pregnanediol,JWMFYGXQPXQEEM-UHFFFAOYSA-N
HMDB05949,7.016004049,Li,[Li+],InChI=1S/Li/q+1,HBBGRARXTFLTSG,UHFFFAOYSA,N,Lithium,HBBGRARXTFLTSG-UHFFFAOYSA-N
HMDB05960,129.078978601,C6H11NO2,OC(=O)[C@H]1CCCCN1,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1",HXEACLLIILLPRG,RXMQYKEDSA,N,D-Pipecolic acid,HXEACLLIILLPRG-RXMQYKEDSA-N
HMDB05962,288.20893014,C19H28O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](O)CC[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1",FMGSKLZLMKYGDP,HKQXQEGQSA,N,Dehydroandrosterone,FMGSKLZLMKYGDP-HKQXQEGQSA-N
HMDB05971,192.02700261,C6H8O7,OC[C@H](O)[C@@H](O)C(=O)C(=O)C(O)=O,"InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1",GJQWCDSAOUMKSE,STHAYSLISA,N,Diketogulonic acid,GJQWCDSAOUMKSE-STHAYSLISA-N
HMDB05972,350.245709576,C21H34O4,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1",UPTAPIKFKZGAGM,FAIYVORSSA,N,Tetrahydrodeoxycortisol,UPTAPIKFKZGAGM-FAIYVORSSA-N
HMDB05973,188.131348522,C12H16N2,CN(C)CCC1=CNC2=CC=CC=C12,"InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3",DMULVCHRPCFFGV,UHFFFAOYSA,N,Dimethyltryptamine,DMULVCHRPCFFGV-UHFFFAOYSA-N
HMDB05994,100.088815006,C6H12O,CCCCCC=O,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3",JARKCYVAAOWBJS,UHFFFAOYSA,N,Hexanal,JARKCYVAAOWBJS-UHFFFAOYSA-N
HMDB05998,320.23514489,C20H32O3,OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-",NNDIXBJHNLFJJP,DTLRTWKJSA,N,20-Hydroxyeicosatetraenoic acid,NNDIXBJHNLFJJP-DTLRTWKJSA-N
HMDB06001,344.246378278,C21H32N2O2,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=C(C[C@]12C)C(=O)NN3,"InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1",SWPAIUOYLTYQKK,YEZTZDHTSA,N,3'-Hydroxystanozolol,SWPAIUOYLTYQKK-YEZTZDHTSA-N
HMDB06002,316.240230268,C21H32O2,[H][C@@]12CC[C@@](O)(CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h13,16-18,23H,4-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",FGPGANCDNDLUST,CEGNMAFCSA,N,Ethyltestosterone,FGPGANCDNDLUST-CEGNMAFCSA-N
HMDB06005,244.08479226,C13H12N2O3,OC(=O)CNC(=O)\C=C\C1=CNC2=CC=CC=C12,"InChI=1S/C13H12N2O3/c16-12(15-8-13(17)18)6-5-9-7-14-11-4-2-1-3-10(9)11/h1-7,14H,8H2,(H,15,16)(H,17,18)/b6-5+",DUIFVCFSAWHIOD,AATRIKPKSA,N,Indolylacryloylglycine,DUIFVCFSAWHIOD-AATRIKPKSA-N
HMDB06006,74.073164942,C4H10O,CC(C)CO,"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3",ZXEKIIBDNHEJCQ,UHFFFAOYSA,N,Isobutanol,ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
HMDB06007,88.088815006,C5H12O,CC(C)CCO,"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",PHTQWCKDNZKARW,UHFFFAOYSA,N,Isopentanol,PHTQWCKDNZKARW-UHFFFAOYSA-N
HMDB06009,160.121177766,C7H16N2O2,NCCCNCCCC(O)=O,"InChI=1S/C7H16N2O2/c8-4-2-6-9-5-1-3-7(10)11/h9H,1-6,8H2,(H,10,11)",JUBNBYBUFCFLHB,UHFFFAOYSA,N,Isoputreanine,JUBNBYBUFCFLHB-UHFFFAOYSA-N
HMDB06012,318.255880332,C21H34O2,[H][C@@]12CC[C@@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2(C)C[C@H](O)C=C[C@]12C,"InChI=1S/C21H34O2/c1-18-9-6-15-16(19(18,2)10-5-14(22)13-18)7-11-20(3)17(15)8-12-21(20,4)23/h5,10,14-17,22-23H,6-9,11-13H2,1-4H3/t14-,15-,16+,17+,18-,19-,20+,21-/m1/s1",NZDUEHZAWOAARB,BWTDTTKRSA,N,Epimetendiol,NZDUEHZAWOAARB-BWTDTTKRSA-N
HMDB06013,320.271530396,C21H36O2,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)C[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H36O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,18-,19+,20+,21+/m1/s1",ZWQUPIDNCOVROC,HEEAJRSSSA,N,"7a,17-dimethyl-5b-Androstane-3a,17b-diol",ZWQUPIDNCOVROC-HEEAJRSSSA-N
HMDB06023,281.112403993,C11H15N5O4,CO[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C11H15N5O4/c1-19-8-5(2-17)20-11(7(8)18)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",RYAFZRROCNNRFK,IOSLPCCCSA,N,3'-O-Methyladenosine,RYAFZRROCNNRFK-IOSLPCCCSA-N
HMDB06024,130.062994186,C6H10O3,C[C@]1(O)CCOC(=O)C1,"InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/t6-/m0/s1",JYVXNLLUYHCIIH,LURJTMIESA,N,Mevalonolactone,JYVXNLLUYHCIIH-LURJTMIESA-N
HMDB06026,316.240230268,C21H32O2,[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C21H32O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h13,16-19,23H,3-12H2,1-2H3/t16-,17+,18+,19-,20-,21-/m0/s1",FTBJKONNNSKOLX,XUDSTZEESA,N,Norbolethone,FTBJKONNNSKOLX-XUDSTZEESA-N
HMDB06027,318.219494826,C20H30O3,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C,"InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1",RXXBBHGCAXVBES,XMUHMHRVSA,N,Oxymesterone,RXXBBHGCAXVBES-XMUHMHRVSA-N
HMDB06028,174.064056818,C6H10N2O4,CC(=O)N[C@@H](CC(N)=O)C(O)=O,"InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1",HXFOXFJUNFFYMO,BYPYZUCNSA,N,N-Acetylasparagine,HXFOXFJUNFFYMO-BYPYZUCNSA-N
HMDB06029,188.079706882,C7H12N2O4,CC(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)",KSMRODHGGIIXDV,UHFFFAOYSA,N,N-Acetylglutamine,KSMRODHGGIIXDV-UHFFFAOYSA-N
HMDB06031,304.203844762,C19H28O3,[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1",IUNYGQONJQTULL,UKZLPJRTSA,N,11-Ketoetiocholanolone,IUNYGQONJQTULL-UKZLPJRTSA-N
HMDB06032,338.0515166,C10H15N2O9P,O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)N1C=NC(CC(O)=O)=C1,"InChI=1S/C10H15N2O9P/c13-7(14)1-5-2-12(4-11-5)10-9(16)8(15)6(21-10)3-20-22(17,18)19/h2,4,6,8-10,15-16H,1,3H2,(H,13,14)(H2,17,18,19)/t6-,8-,9-,10?/m1/s1",RDQUQBHPMYFYMX,XIWVQZPPSA,N,Imidazoleacetic acid ribotide,RDQUQBHPMYFYMX-XIWVQZPPSA-N
HMDB06035,288.20893014,C19H28O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)C=C[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1",OKJCFMUGMSVJBG,MISPCMORSA,N,4-Dihydroboldenone,OKJCFMUGMSVJBG-MISPCMORSA-N
HMDB06036,304.240230268,C20H32O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C[C@H](C)[C@]12C,"InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1",UXYRZJKIQKRJCF,TZPFWLJSSA,N,Mesterolone,UXYRZJKIQKRJCF-TZPFWLJSSA-N
HMDB06037,181.059974493,C6H7N5O2,CN1C(=O)NC2=C1C(=O)N=C(N)N2,"InChI=1S/C6H7N5O2/c1-11-2-3(9-6(11)13)8-5(7)10-4(2)12/h1H3,(H4,7,8,9,10,12,13)",VHPXSVXJBWZORQ,UHFFFAOYSA,N,8-Hydroxy-7-methylguanine,VHPXSVXJBWZORQ-UHFFFAOYSA-N
HMDB06038,297.107318615,C11H15N5O5,CO[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2=C1NC(N)=NC2=O,"InChI=1S/C11H15N5O5/c1-20-7-4(2-17)21-10(6(7)18)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1",UYARPHAXAJAZLU,KQYNXXCUSA,N,3'-O-Methylguanosine,UYARPHAXAJAZLU-KQYNXXCUSA-N
HMDB06039,185.994453067,C5H3ClN4O2,ClC1=NC2=C(N1)C(=O)NC(=O)N2,"InChI=1S/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)",OZPCWWUKRLUQSS,UHFFFAOYSA,N,8-Chloroxanthine,OZPCWWUKRLUQSS-UHFFFAOYSA-N
HMDB06040,165.065059871,C6H7N5O,CNC1=NC(=O)C2=C(N1)N=CN2,"InChI=1S/C6H7N5O/c1-7-6-10-4-3(5(12)11-6)8-2-9-4/h2H,1H3,(H3,7,8,9,10,11,12)",SGSSKEDGVONRGC,UHFFFAOYSA,N,N2-Methylguanine,SGSSKEDGVONRGC-UHFFFAOYSA-N
HMDB06044,165.078978601,C9H11NO2,OC1=C(O)C=C2CNCCC2=C1,"InChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2",MBFUSGLXKQWVDW,UHFFFAOYSA,N,Norsalsolinol,MBFUSGLXKQWVDW-UHFFFAOYSA-N
HMDB06045,360.132136382,C18H20N2O6,NC(CC1=CC(O)=C(C=C1)C1=CC=C(CC(N)C(O)=O)C=C1O)C(O)=O,"InChI=1S/C18H20N2O6/c19-13(17(23)24)5-9-1-3-11(15(21)7-9)12-4-2-10(8-16(12)22)6-14(20)18(25)26/h1-4,7-8,13-14,21-22H,5-6,19-20H2,(H,23,24)(H,25,26)",FHOZGLMQYMAREG,UHFFFAOYSA,N,Dityrosine,FHOZGLMQYMAREG-UHFFFAOYSA-N
HMDB06046,272.214015518,C19H28O,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C=CCC[C@]12C,"InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1",RJWNCDOWHNLVPF,HKQXQEGQSA,N,5a-Androst-3-en-17-one,RJWNCDOWHNLVPF-HKQXQEGQSA-N
HMDB06048,316.240230268,C21H32O2,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)CC2=CC(=O)CC[C@]12C,"InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16+,17+,18-,19+,20+,21+/m1/s1",IVFYLRMMHVYGJH,VLOLGRDOSA,N,Bolasterone,IVFYLRMMHVYGJH-VLOLGRDOSA-N
HMDB06049,261.040223633,C9H12NO6P,N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",DCWXELXMIBXGTH,QMMMGPOBSA,N,O-Phosphotyrosine,DCWXELXMIBXGTH-QMMMGPOBSA-N
HMDB06050,181.073893223,C9H11NO3,NC(CC1=CC=CC=C1O)C(O)=O,"InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)",WRFPVMFCRNYQNR,UHFFFAOYSA,N,o-Tyrosine,WRFPVMFCRNYQNR-UHFFFAOYSA-N
HMDB06055,131.058243159,C5H9NO3,OC1CN[C@@H](C1)C(O)=O,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1",PMMYEEVYMWASQN,BKLSDQPFSA,N,4-Hydroxy-L-proline,PMMYEEVYMWASQN-BKLSDQPFSA-N
HMDB06059,366.204238692,C20H30O6,O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC(O)=O,"InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1",SXWGPVJGNOLNHT,VFLUTPEKSA,N,20-Carboxy-leukotriene B4,SXWGPVJGNOLNHT-VFLUTPEKSA-N
HMDB06061,281.089937217,C13H15NO6,OC(=O)CCC(NC(=O)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C13H15NO6/c15-9-3-1-8(2-4-9)7-11(16)14-10(13(19)20)5-6-12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)(H,19,20)",CYRKYXZJUIBBJX,UHFFFAOYSA,N,4-Hydroxyphenylacetylglutamine,CYRKYXZJUIBBJX-UHFFFAOYSA-N
HMDB06070,336.266445018,C21H36O3,[H][C@@]12CC[C@](O)(C(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13?,14-,15-,16-,17+,18+,19+,20+,21+/m1/s1",SCPADBBISMMJAW,HWPIAJDMSA,N,Pregnanetriol,SCPADBBISMMJAW-HWPIAJDMSA-N
HMDB06078,161.129002798,C7H17N2O2,[NH3+]CCCCNCCC(O)=O,"InChI=1S/C7H16N2O2/c8-4-1-2-5-9-6-3-7(10)11/h9H,1-6,8H2,(H,10,11)/p+1",BTSHXVLJDRJCMM,UHFFFAOYSA,O,Putreanine,BTSHXVLJDRJCMM-UHFFFAOYSA-O
HMDB06083,742.232029162,C33H42O19,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(OCCO)=CC(O)=C4C3=O)C3=CC(OCCO)=C(OCCO)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1",IYVFNTXFRYQLRP,VVSTWUKXSA,N,Troxerutin,IYVFNTXFRYQLRP-VVSTWUKXSA-N
HMDB06088,180.063388116,C6H12O6,O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6+",CDAISMWEOUEBRE,NIPYSYMMSA,N,Scyllitol,CDAISMWEOUEBRE-NIPYSYMMSA-N
HMDB06095,163.012555295,C5H9NOS2,CS(=O)CCCN=C=S,"InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3",LELAOEBVZLPXAZ,UHFFFAOYSA,N,3-Methylsulfinylpropyl isothiocyanate,LELAOEBVZLPXAZ-UHFFFAOYSA-N
HMDB06101,298.120509064,C18H18O4,OC1=CC=CC(CC2COC(=O)C2CC2=CC(O)=CC=C2)=C1,"InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2",HVDGDHBAMCBBLR,UHFFFAOYSA,N,Enterolactone,HVDGDHBAMCBBLR-UHFFFAOYSA-N
HMDB06111,320.23514489,C20H32O3,CCCCC\C=C/CC(O)\C=C/C=C\C\C=C\CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,17-14-",ZNHVWPKMFKADKW,FYMOKONMSA,N,12-HETE,ZNHVWPKMFKADKW-FYMOKONMSA-N
HMDB06112,72.021129372,C3H4O2,O=CCC=O,"InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2",WSMYVTOQOOLQHP,UHFFFAOYSA,N,Malondialdehyde,WSMYVTOQOOLQHP-UHFFFAOYSA-N
HMDB06115,106.041864814,C7H6O,O=CC1=CC=CC=C1,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,HUMNYLRZRPPJDN,UHFFFAOYSA,N,Benzaldehyde,HUMNYLRZRPPJDN-UHFFFAOYSA-N
HMDB06116,195.053157781,C9H9NO4,OC(=O)CNC(=O)C1=CC(O)=CC=C1,"InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)",XDOFWFNMYJRHEW,UHFFFAOYSA,N,3-Hydroxyhippuric acid,XDOFWFNMYJRHEW-UHFFFAOYSA-N
HMDB06117,496.275780924,C21H36N8O6,C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O,"InChI=1S/C21H36N8O6/c1-12(22)19(33)29-10-4-6-14(29)17(31)26-11-16(30)28-9-3-7-15(28)18(32)27-13(20(34)35)5-2-8-25-21(23)24/h12-15H,2-11,22H2,1H3,(H,26,31)(H,27,32)(H,34,35)(H4,23,24,25)/t12-,13-,14-,15-/m0/s1",ITZMJCSORYKOSI,AJNGGQMLSA,N,APGPR Enterostatin,ITZMJCSORYKOSI-AJNGGQMLSA-N
HMDB06119,402.349780716,C27H46O2,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1",OYXZMSRRJOYLLO,KGZHIOMZSA,N,7b-Hydroxycholesterol,OYXZMSRRJOYLLO-KGZHIOMZSA-N
HMDB06200,155.021857653,C6H5NO4,OC1=CC(O)=C(C=C1)[N+]([O-])=O,"InChI=1S/C6H5NO4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H",CYEZXDVLBGFROE,UHFFFAOYSA,N,"2,4-Dihydroxy-nitrophenol",CYEZXDVLBGFROE-UHFFFAOYSA-N
HMDB06202,329.256608613,C18H35NO4,CC(C)CCCC(C)CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C18H35NO4/c1-14(2)8-7-9-15(3)10-11-18(22)23-16(12-17(20)21)13-19(4,5)6/h14-16H,7-13H2,1-6H3",DDTDJDZHDFMZED,UHFFFAOYSA,N,"4,8 Dimethylnonanoyl carnitine",DDTDJDZHDFMZED-UHFFFAOYSA-N
HMDB06203,466.256668192,C25H38O8,[H][C@@]12CC[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C25H38O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12,14-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1",CLQMBSSRTBUNDV,CPKOJWPQSA,N,5-alpha-Dihydrotestosterone glucuronide,CLQMBSSRTBUNDV-CPKOJWPQSA-N
HMDB06210,413.350508997,C24H47NO4,CCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C24H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-22(20-23(26)27)21-25(2,3)4/h22H,5-21H2,1-4H3",DWSFAVOTORHAAL,UHFFFAOYSA,N,Heptadecanoyl carnitine,DWSFAVOTORHAAL-UHFFFAOYSA-N
HMDB06211,285.036200887,C6H12N3O8P,O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)O[C@H]1NC(=N)NC=O,"InChI=1S/C6H12N3O8P/c7-6(8-1-10)9-4-2(11)3(12)5(16-4)17-18(13,14)15/h1-5,11-12H,(H2,13,14,15)(H3,7,8,9,10)/t2-,3+,4-,5-/m1/s1",OKXISSDNJVDCJE,KKQCNMDGSA,N,2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine,OKXISSDNJVDCJE-KKQCNMDGSA-N
HMDB06213,76.0524295,C3H8O2,C[C@H](O)CO,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1",DNIAPMSPPWPWGF,VKHMYHEASA,N,"(S)-Propane-1,2-diol",DNIAPMSPPWPWGF-VKHMYHEASA-N
HMDB06215,144.057514878,C10H8O,O1C2C=CC3=CC=CC=C3C12,"InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H",XQIJIALOJPIKGX,UHFFFAOYSA,N,Naphthalene epoxide,XQIJIALOJPIKGX-UHFFFAOYSA-N
HMDB06216,286.229665582,C20H30O,C\C(=C/CO)\C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6-,12-11+,16-8+,17-13+",FPIPGXGPPPQFEQ,IOUUIBBYSA,N,11-cis-Retinol,FPIPGXGPPPQFEQ-IOUUIBBYSA-N
HMDB06217,286.229665582,C20H30O,C\C(=C/CO)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+",FPIPGXGPPPQFEQ,MKOSUFFBSA,N,9-cis-Retinol,FPIPGXGPPPQFEQ-MKOSUFFBSA-N
HMDB06218,284.214015518,C20H28O,C/C(/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+",NCYCYZXNIZJOKI,MKOSUFFBSA,N,9-cis-Retinal,NCYCYZXNIZJOKI-MKOSUFFBSA-N
HMDB06219,300.20893014,C20H28O2,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-",SHGAZHPCJJPHSC,XFYACQKRSA,N,13-cis-Retinoic acid,SHGAZHPCJJPHSC-XFYACQKRSA-N
HMDB06220,284.214015518,C20H28O,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13-",NCYCYZXNIZJOKI,HWCYFHEPSA,N,13-cis-Retinal,NCYCYZXNIZJOKI-HWCYFHEPSA-N
HMDB06221,286.229665582,C20H30O,C\C(=C\CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13-",FPIPGXGPPPQFEQ,HWCYFHEPSA,N,13-cis Retinol,FPIPGXGPPPQFEQ-HWCYFHEPSA-N
HMDB06224,448.209718,C24H32O8,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3,"InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23?,24+/m1/s1",MUOHJTRCBBDUOW,BFXFFQJBSA,N,17-beta-Estradiol-3-glucuronide,MUOHJTRCBBDUOW-BFXFFQJBSA-N
HMDB06225,428.329045274,C28H44O3,C[C@H](\C=C\[C@H](C)C(O)(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1",ZGLHBRQAEXKACO,XJRQOBMKSA,N,Ercalcitriol,ZGLHBRQAEXKACO-XJRQOBMKSA-N
HMDB06226,416.329045274,C27H44O3,C[C@H](CC[C@@H](O)C(O)(C)C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24?,25-,27-/m1/s1",FCKJYANJHNLEEP,AOWQBJNISA,N,"24R,25-Dihydroxyvitamin D3",FCKJYANJHNLEEP-AOWQBJNISA-N
HMDB06227,444.323959896,C28H44O4,C[C@H](\C=C\[C@@](C)(O)C(C)(O)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1",KRGCLKZOZQUAFK,ABEKVIRTSA,N,"1-a,24R,25-Trihydroxyvitamin D2",KRGCLKZOZQUAFK-ABEKVIRTSA-N
HMDB06228,432.323959896,C27H44O4,C[C@H](CC[C@@H](O)C(O)(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25-,27-/m1/s1",WFZKUWGUJVKMHC,UKBUZQLGSA,N,24-Hydroxycalcitriol,WFZKUWGUJVKMHC-UKBUZQLGSA-N
HMDB06229,739.827700986,C6H19O27P7,OP(O)(=O)O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+",UPHPWXPNZIOZJL,KXXVROSKSA,N,5-Diphosphoinositol pentakisphosphate,UPHPWXPNZIOZJL-KXXVROSKSA-N
HMDB06230,819.794031396,C6H20O30P8,OP(O)(=O)O[C@H]1[C@@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+/m1/s1",GXPFHIDIIMSLOF,YORTWTKJSA,N,Bisdiphosphoinositol tetrakisphosphate,GXPFHIDIIMSLOF-YORTWTKJSA-N
HMDB06234,339.996048936,C6H14O12P2,O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O,"InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6-",PUVHMWJJTITUGO,FICORBCRSA,N,"1D-Myo-inositol 1,3-bisphosphate",PUVHMWJJTITUGO-FICORBCRSA-N
HMDB06235,339.996048936,C6H14O12P2,O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,"InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1",MCKAJXMRULSUKI,CNWJWELYSA,N,"1D-Myo-inositol 3,4-bisphosphate",MCKAJXMRULSUKI-CNWJWELYSA-N
HMDB06236,120.057514878,C8H8O,O=CCC1=CC=CC=C1,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",DTUQWGWMVIHBKE,UHFFFAOYSA,N,Phenylacetaldehyde,DTUQWGWMVIHBKE-UHFFFAOYSA-N
HMDB06239,236.101704652,C9H20N2OS2,NCSCCC(S)CCCCC(N)=O,"InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)",KALYVIJGKPJBQV,UHFFFAOYSA,N,S-aminomethyldihydrolipoamide,KALYVIJGKPJBQV-UHFFFAOYSA-N
HMDB06240,174.079312952,C10H10N2O,CC1=CC(=O)N(N1)C1=CC=CC=C1,"InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3",KZQYIMCESJLPQH,UHFFFAOYSA,N,Demethylated antipyrine,KZQYIMCESJLPQH-UHFFFAOYSA-N
HMDB06242,168.042258744,C8H8O4,OC(C=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H",YUGMCLJIWGEKCK,UHFFFAOYSA,N,"3,4-Dihydroxymandelaldehyde",YUGMCLJIWGEKCK-UHFFFAOYSA-N
HMDB06243,1105.376174075,C45H70N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@@H](O)C1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38+,39?,40+,44-/m1/s1",KRIFZIRXAAITHR,HSGPJREDSA,N,Tetracosahexaenoyl CoA,KRIFZIRXAAITHR-HSGPJREDSA-N
HMDB06245,320.23514489,C20H32O3,CC[C@@H](O)CC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-/t19-/m1/s1",PPCHNRUZQWLEMF,LFFPGIGVSA,N,18-Hydroxyarachidonic acid,PPCHNRUZQWLEMF-LFFPGIGVSA-N
HMDB06246,360.302830524,C24H40O2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-,16-15-",MMJZTSLHOIGZPU,DOFZRALJSA,N,Tetracosatetraenoic acid (24:4n-6),MMJZTSLHOIGZPU-DOFZRALJSA-N
HMDB06247,402.349780716,C27H46O2,[H]C12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23?,24?,26+,27-/m1/s1",INBGSXNNRGWLJU,POAVOMIWSA,N,25-Hydroxycholesterol,INBGSXNNRGWLJU-POAVOMIWSA-N
HMDB06248,218.090271568,C8H14N2O5,C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1",WQXXXVRAFAKQJM,WHFBIAKZSA,N,5-L-Glutamyl-L-alanine,WQXXXVRAFAKQJM-WHFBIAKZSA-N
HMDB06251,818.657696618,C57H86O3,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C=CC(=C1)C(O)=O,"InChI=1S/C57H86O3/c1-44(2)21-12-22-45(3)23-13-24-46(4)25-14-26-47(5)27-15-28-48(6)29-16-30-49(7)31-17-32-50(8)33-18-34-51(9)35-19-36-52(10)37-20-38-53(11)39-40-54-43-55(57(59)60)41-42-56(54)58/h21,23,25,27,29,31,33,35,37,39,41-43,58H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,59,60)/b45-23+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+",CMPNJZREBHCPHN,LTNIBBDRSA,N,3-Decaprenyl-4-hydroxybenzoic acid,CMPNJZREBHCPHN-LTNIBBDRSA-N
HMDB06254,316.203844762,C20H28O3,C\C(\C=C\C1=C(C)C(O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,"InChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+",KGUMXGDKXYTTEY,FRCNGJHJSA,N,4-Hydroxyretinoic acid,KGUMXGDKXYTTEY-FRCNGJHJSA-N
HMDB06258,903.204023371,C30H48N7O17P3S,CC(C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C30H52N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18-,19+,22-,23-,24?,28+/m0/s1",GPXWBKWDXPBLKS,MKXQCCAMSA,J,"2,6-Dimethylheptanoyl-CoA",GPXWBKWDXPBLKS-MKXQCCAMSA-J
HMDB06259,304.203844762,C19H28O3,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)CC[C@]12C,"InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1",XSEGWEUVSZRCBC,ZVBLRVHNSA,N,6beta-Hydroxytestosterone,XSEGWEUVSZRCBC-ZVBLRVHNSA-N
HMDB06260,1099.329223883,C45H64N7O17P3S,CC\C=C\C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C45H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5+,9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38+,39+,40?,44-/m0/s1",NVOWZIBKQIWTDG,ZJJOROQCSA,J,"Trans-2-all-cis-6,9,12,15,18,21-tetracosaheptaenoyl-CoA",NVOWZIBKQIWTDG-ZJJOROQCSA-J
HMDB06267,1075.329223883,C43H64N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4,7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36+,37+,38?,42-/m0/s1",NDRVWKXEWNMEEO,DYKQVNSOSA,J,Clupanodonyl CoA,NDRVWKXEWNMEEO-DYKQVNSOSA-J
HMDB06268,389.072311621,C11H20NO12P,CC(=O)N[C@H]1[C@H](O)CC(O)(O[C@@H]1[C@H](O)[C@H](O)COP(O)(O)=O)C(O)=O,"InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6-,7+,8-,9+,11?/m1/s1",SQMNIXJSBCSNCI,KHLKYKDFSA,N,N-Acetylneuraminate 9-phosphate,SQMNIXJSBCSNCI-KHLKYKDFSA-N
HMDB06270,280.240230268,C18H32O2,CCCCC\C=C\C\C=C\CCCCCCCC(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+",OYHQOLUKZRVURQ,AVQMFFATSA,N,Linoelaidic acid,OYHQOLUKZRVURQ-AVQMFFATSA-N
HMDB06271,384.33921603,C27H44O,[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1([H])CC3,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1",CGSJXLIKVBJVRY,XTGBIJOFSA,N,Zymosterol intermediate 2,CGSJXLIKVBJVRY-XTGBIJOFSA-N
HMDB06272,131.058243159,C5H9NO3,NCCCC(=O)C(O)=O,"InChI=1S/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)",BWHGMFYTDQEALD,UHFFFAOYSA,N,5-Amino-2-oxopentanoic acid,BWHGMFYTDQEALD-UHFFFAOYSA-N
HMDB06273,339.046765573,C9H14N3O9P,NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1",XFVULMDJZXYMSG,ZIYNGMLESA,N,5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate,XFVULMDJZXYMSG-ZIYNGMLESA-N
HMDB06275,233.035793157,C8H11NO5S,NCCC1=CC(OS(O)(=O)=O)=C(O)C=C1,"InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)",NZKRYJGNYPYXJZ,UHFFFAOYSA,N,Dopamine 3-O-sulfate,NZKRYJGNYPYXJZ-UHFFFAOYSA-N
HMDB06278,370.18139476,C19H30O5S,[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C19H30O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12,14-17H,3-11H2,1-2H3,(H,21,22,23)/t12-,14-,15-,16-,17-,18-,19-/m0/s1",KYVPWJSGFKNNLD,ABEVXSGRSA,N,5a-Dihydrotestosterone sulfate,KYVPWJSGFKNNLD-ABEVXSGRSA-N
HMDB06280,418.344695338,C27H46O3,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1",BQMSKLCEWBSPPY,IKVTXIKFSA,N,"7-a,25-Dihydroxycholesterol",BQMSKLCEWBSPPY-IKVTXIKFSA-N
HMDB06281,418.344695338,C27H46O3,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO,"InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1",RXMHNAKZMGJANZ,DTTSCKGMSA,N,"7-a,27-Dihydroxycholesterol",RXMHNAKZMGJANZ-DTTSCKGMSA-N
HMDB06283,402.349780716,C27H46O2,CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27+/m0/s1",MCKLJFJEQRYRQT,MGNSQDQZSA,N,20alpha-Hydroxycholesterol,MCKLJFJEQRYRQT-MGNSQDQZSA-N
HMDB06284,118.074227574,C4H10N2O2,NCC[C@H](N)C(O)=O,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",OGNSCSPNOLGXSM,VKHMYHEASA,N,"L-2,4-diaminobutyric acid",OGNSCSPNOLGXSM-VKHMYHEASA-N
HMDB06285,314.188194698,C20H26O3,C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,"InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+",GGCUJPCCTQNTJF,FRCNGJHJSA,N,4-oxo-Retinoic acid,GGCUJPCCTQNTJF-FRCNGJHJSA-N
HMDB06288,864.616178258,C50H90O7P2,[P](OCC=C(C)C)(OCC=C(C)C)(=O)(OP(OCC=C(C)C)(OCC=C(C)C)=O)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)CC=C(C)C,"InChI=1S/C50H90O7P2/c1-41(2)21-31-53-58(51,54-32-22-42(3)4)57-59(52,35-25-45(9)10,36-26-46(11)12,37-27-47(13)14,38-28-48(15)16,39-29-49(17)18,40-30-50(19)20,55-33-23-43(5)6)56-34-24-44(7)8/h21-30H,31-40H2,1-20H3",UAYWNGPBKZFVAV,UHFFFAOYSA,N,All trans decaprenyl diphosphate,UAYWNGPBKZFVAV-UHFFFAOYSA-N
HMDB06290,1027.329223883,C39H64N7O17P3S,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@@H](O)C1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,26-28,32-34,38,49-50H,4,7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-/t28-,32+,33?,34+,38-/m1/s1",OMKFKBGZHNJNEX,QJTDXEISSA,N,Alpha-Linolenoyl-CoA,OMKFKBGZHNJNEX-QJTDXEISSA-N
HMDB06292,1141.397303447,C45H74N7O19P3S,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24-,25+,26-,27-,28+,29+,30-,31-,34+,36-,37-,38?,42-,44+,45-/m1/s1",IIWDDMINEZBCTG,POZCYTSJSA,N,Chenodeoxycholoyl-CoA,IIWDDMINEZBCTG-POZCYTSJSA-N
HMDB06293,120.042258744,C4H8O4,OC[C@H](O)C(=O)CO,"InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1",UQPHVQVXLPRNCX,VKHMYHEASA,N,L-Erythrulose,UQPHVQVXLPRNCX-VKHMYHEASA-N
HMDB06294,271.227319858,C16H31O3,OCCCCCCCCCCCCCCCC([O-])=O,"InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)/p-1",UGAGPNKCDRTDHP,UHFFFAOYSA,M,16-Hydroxy hexadecanoic acid,UGAGPNKCDRTDHP-UHFFFAOYSA-M
HMDB06316,1329.572156327,C62H89CoN13O14P,C[C@@H]1CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)C3N4C2=C(C)C2=[N]5C(=CC6=[N]7C(=C(C)C8=[N]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co+3]457[N]3=CN([C@H]4O[C@H](CO)[C@@H](OP(O)(=O)O1)[C@H]4O)C1=C3C=C(C)C(C)=C1)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O,"InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;/m1./s1",QDYKIIMTNDYRAM,FSANSEACSA,M,Cob(II)alamin,QDYKIIMTNDYRAM-FSANSEACSA-M
HMDB06317,397.319208869,C23H43NO4,CCCCCCCCCCCCC\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h17-18,21H,5-16,19-20H2,1-4H3/b18-17+",SOYNLLDADLOGAM,ISLYRVAYSA,N,trans-Hexadec-2-enoyl carnitine,SOYNLLDADLOGAM-ISLYRVAYSA-N
HMDB06318,421.319208869,C25H43NO4,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h9-10,12-13,15-16,23H,5-8,11,14,17-22H2,1-4H3/b10-9-,13-12-,16-15-/t23-/m0/s1",VDPMHVILMVSAQX,BAHSRKMSSA,N,Gamma-linolenyl carnitine,VDPMHVILMVSAQX-BAHSRKMSSA-N
HMDB06319,421.319208869,C25H43NO4,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h6-7,9-10,12-13,23H,5,8,11,14-22H2,1-4H3/b7-6-,10-9-,13-12-/t23-/m0/s1",DFVGGGHKDAHYIU,UHMZJXMFSA,N,Alpha-linolenyl carnitine,DFVGGGHKDAHYIU-UHMZJXMFSA-N
HMDB06320,301.225308485,C16H31NO4,CC(C)CCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C16H31NO4/c1-12(2)8-7-9-13(3)16(20)21-14(10-15(18)19)11-17(4,5)6/h12-14H,7-11H2,1-6H3",QBYXBONNCVATNQ,UHFFFAOYSA,N,"2,6 Dimethylheptanoyl carnitine",QBYXBONNCVATNQ-UHFFFAOYSA-N
HMDB06321,473.350508997,C29H47NO4,CCCCC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h9-10,12-13,15-16,18-19,21-22,27H,5-8,11,14,17,20,23-26H2,1-4H3/b10-9+,13-12+,16-15+,19-18+,22-21+",KRXOUZZWQXTUIB,IDERWEGCSA,N,"Docosa-4,7,10,13,16-pentaenoyl carnitine",KRXOUZZWQXTUIB-IDERWEGCSA-N
HMDB06322,358.28718046,C24H38O2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O,"InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-23H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-,16-15-,19-18-",VENRYLMOFDSSDJ,WMPRHZDHSA,N,Tetracosapentaenoic acid (24:5n-6),VENRYLMOFDSSDJ-WMPRHZDHSA-N
HMDB06323,358.28718046,C24H38O2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-",NPTIBOCVSPURCS,JLNKQSITSA,N,Tetracosapentaenoic acid (24:5n-3),NPTIBOCVSPURCS-JLNKQSITSA-N
HMDB06327,424.334130652,C29H44O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1",RZFHLOLGZPDCHJ,XZXLULOTSA,N,Alpha-Tocotrienol,RZFHLOLGZPDCHJ-XZXLULOTSA-N
HMDB06328,260.029718526,C6H13O9P,OC[C@@H](O)[C@H](O)[C@H](O)C(=O)COP(O)(O)=O,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5+,6-/m1/s1",ZKLLSNQJRLJIGT,PQLUHFTBSA,N,D-Tagatose 1-phosphate,ZKLLSNQJRLJIGT-PQLUHFTBSA-N
HMDB06330,260.029718526,C6H13O9P,OC[C@H]1OC(OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1",HXXFSFRBOHSIMQ,QTVWNMPRSA,N,D-Mannose 1-phosphate,HXXFSFRBOHSIMQ-QTVWNMPRSA-N
HMDB06331,142.02660868,C6H6O4,OC(=O)\C=C/C=C\C(O)=O,"InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-",TXXHDPDFNKHHGW,CCAGOZQPSA,N,"cis,cis-Muconic acid",TXXHDPDFNKHHGW-CCAGOZQPSA-N
HMDB06334,194.042652674,C6H10O7,OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13)/t2-,3+,5-/m0/s1",WTAHRPBPWHCMHW,LWKDLAHASA,N,3-Dehydro-L-gulonate,WTAHRPBPWHCMHW-LWKDLAHASA-N
HMDB06335,416.36543078,C28H48O2,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=CC(O)=C2C,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",WGVKWNUPNGFDFJ,DQCZWYHMSA,N,Beta-tocopherol,WGVKWNUPNGFDFJ-DQCZWYHMSA-N
HMDB06336,639.038003903,C15H24N5O17P3,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)[C@@H](O)[C@H]3OP(O)(O)=O)C2=NC=N1,"InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(35-38(25,26)27)9(23)6(33-14)2-32-39(28,29)37-40(30,31)36-15-10(24)8(22)5(1-21)34-15/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1",OCOLIMYIUOUURJ,ZQSHOCFMSA,N,ADP-ribose 2'-phosphate,OCOLIMYIUOUURJ-ZQSHOCFMSA-N
HMDB06343,270.011878774,C7H14N2O4Se,NC(CC[Se]CC(N)C(O)=O)C(O)=O,"InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)",ZNWYDQPOUQRDLY,UHFFFAOYSA,N,Selenocystathionine,ZNWYDQPOUQRDLY-UHFFFAOYSA-N
HMDB06344,264.11100701,C13H16N2O4,NC(=O)CC[C@H](NC(=O)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1",JFLIEFSWGNOPJJ,JTQLQIEISA,N,Alpha-N-Phenylacetyl-L-glutamine,JFLIEFSWGNOPJJ-JTQLQIEISA-N
HMDB06345,897.141817045,C26H42N7O20P3S,[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)C[C@](C)(O)C(O)=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17+,18?,19+,23-,26+/m1/s1",XYGOWHUIVNMEIA,KKAINBEZSA,N,L-Citramalyl-CoA,XYGOWHUIVNMEIA-KKAINBEZSA-N
HMDB06347,539.491359573,C33H65NO4,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C33H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(37)38-31(29-32(35)36)30-34(2,3)4/h31H,5-30H2,1-4H3",KOCKWDDTAHPJSX,UHFFFAOYSA,N,Hexacosanoyl carnitine,KOCKWDDTAHPJSX-UHFFFAOYSA-N
HMDB06348,185.105193351,C9H15NO3,CN1C2CCC1[C@@H]([C@@H](O)C2)C(O)=O,"InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8-/m0/s1",PHMBVCPLDPDESM,GHNGIAPOSA,N,Pseudoecgonine,PHMBVCPLDPDESM-GHNGIAPOSA-N
HMDB06351,425.350508997,C25H47NO4,CCCCCC\C=C\CCCCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h10-11,23H,5-9,12-22H2,1-4H3/b11-10+/t23-/m0/s1",HITOYGLMAFIRNI,YSESTWPTSA,N,Vaccenyl carnitine,HITOYGLMAFIRNI-YSESTWPTSA-N
HMDB06354,548.080841196,C16H26N2O15P2,C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15?/m0/s1",ZOSQFDVXNQFKBY,CZRCVJRHSA,N,Deoxythymidine diphosphate-l-rhamnose,ZOSQFDVXNQFKBY-CZRCVJRHSA-N
HMDB06355,176.032087988,C6H8O6,O[C@@H]1O[C@@H]2[C@@H](O)C(=O)O[C@@H]2[C@H]1O,"InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2-,3-,4-,5-/m1/s1",OGLCQHRZUSEXNB,WHDMSYDLSA,N,"D-Glucurono-6,3-lactone",OGLCQHRZUSEXNB-WHDMSYDLSA-N
HMDB06357,188.032087988,C7H8O6,C\C(C(O)=O)=C(/CC(O)=O)C(O)=O,"InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3-",NUZLRKBHOBPTQV,ARJAWSKDSA,N,cis-2-Methylaconitate,NUZLRKBHOBPTQV-ARJAWSKDSA-N
HMDB06368,1027.329223883,C39H64N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,26-28,32-34,38,49-50H,4-7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1",XZQYPTBYQYZGRU,FHDVEODPSA,N,Gamma-linolenoyl-CoA,XZQYPTBYQYZGRU-FHDVEODPSA-N
HMDB06369,589.082238179,C16H25N5O15P2,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12+,15-,16-/m1/s1",WFPZSXYXPSUOPY,RYRBFGMPSA,N,ADP-Mannose,WFPZSXYXPSUOPY-RYRBFGMPSA-N
HMDB06372,106.02660868,C3H6O4,OC[C@H](O)C(O)=O,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1",RBNPOMFGQQGHHO,REOHCLBHSA,N,L-Glyceric acid,RBNPOMFGQQGHHO-REOHCLBHSA-N
HMDB06402,1019.324138505,C37H64N7O18P3S,CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30-,31-,32?,36-/m1/s1",NQMPLXPCRJOSHL,TZIIWEFPSA,N,3-Oxohexadecanoyl-CoA,NQMPLXPCRJOSHL-TZIIWEFPSA-N
HMDB06403,934.20983703,C30H49N8O18P3S,CN1C2CCC1[C@@H]([C@@H](O)C2)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C30H49N8O18P3S/c1-30(2,24(42)27(43)33-7-6-19(40)32-8-9-60-29(44)20-16-5-4-15(37(16)3)10-17(20)39)12-53-59(50,51)56-58(48,49)52-11-18-23(55-57(45,46)47)22(41)28(54-18)38-14-36-21-25(31)34-13-35-26(21)38/h13-18,20,22-24,28,39,41-42H,4-12H2,1-3H3,(H,32,40)(H,33,43)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t15?,16?,17-,18+,20-,22+,23+,24?,28+/m0/s1",LWFFRRDSDGEAQK,VISZMWHFSA,N,Pseudoecgonyl-CoA,LWFFRRDSDGEAQK-VISZMWHFSA-N
HMDB06404,921.250973563,C31H54N7O17P3S,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26?,30-/m1/s1",CNKJPHSEFDPYDB,BOJFXZHGSA,N,Decanoyl-CoA (n-C10:0CoA),CNKJPHSEFDPYDB-BOJFXZHGSA-N
HMDB06406,199.120843415,C10H17NO3,COC(=O)[C@@H]1C2CCC(C[C@@H]1O)N2C,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6?,7?,8-,9+/m0/s1",QIQNNBXHAYSQRY,ABIFROTESA,N,Ecgonine methyl ester,QIQNNBXHAYSQRY-ABIFROTESA-N
HMDB06407,160.89067727,H2O3PSe,OP(O)([O-])=[Se],"InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)/p-1",JRPHGDYSKGJTKZ,UHFFFAOYSA,M,Selenophosphate,JRPHGDYSKGJTKZ-UHFFFAOYSA-M
HMDB06408,286.098727764,C12H18N2O4S,CCCCNC(=O)NS(=O)(=O)C1=CC=C(CO)C=C1,"InChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16)",SJRHYONYKZIRPM,UHFFFAOYSA,N,4-Hydroxy tolbutamide,SJRHYONYKZIRPM-UHFFFAOYSA-N
HMDB06409,217.040878535,C8H11NO4S,NCCC1=CC=C(OS(O)(=O)=O)C=C1,"InChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)",DYDUXGMDSXJQFT,UHFFFAOYSA,N,Tyramine-O-sulfate,DYDUXGMDSXJQFT-UHFFFAOYSA-N
HMDB06454,117.042593095,C4H7NO3,CC(=O)[C@H](N)C(O)=O,"InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1",SAUCHDKDCUROAO,VKHMYHEASA,N,L-2-Amino-3-oxobutanoic acid,SAUCHDKDCUROAO-VKHMYHEASA-N
HMDB06455,504.405284221,C31H54NO4,CCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CC(O)=O)C[N+](C)(C)C,"InChI=1S/C31H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h13-14,16-17,19-20,22-23,29H,5-12,15,18,21,24-28H2,1-4H3/p+1/b14-13-,17-16-,20-19-,23-22-",HIVCWXCOIPSVAX,MNFAIILDSA,O,Arachidonyl carnitine,HIVCWXCOIPSVAX-MNFAIILDSA-O
HMDB06456,269.030052877,C7H12NO8P,CC(=O)N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O,"InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1",FCVIHFVSXHOPSW,YFKPBYRVSA,N,N-Acetyl-L-glutamyl 5-phosphate,FCVIHFVSXHOPSW-YFKPBYRVSA-N
HMDB06458,74.036779436,C3H6O2,C[C@@H](O)C=O,"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1",BSABBBMNWQWLLU,GSVOUGTGSA,N,D-Lactaldehyde,BSABBBMNWQWLLU-GSVOUGTGSA-N
HMDB06459,1141.470074459,C47H82N7O17P3S,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/t36-,40-,41-,42+,46-/m1/s1",FHLYYFPJDVYWQH,CPIGOPAHSA,J,Hexacosanoyl-CoA,FHLYYFPJDVYWQH-CPIGOPAHSA-J
HMDB06460,455.397459189,C27H53NO4,CCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C27H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h25H,5-24H2,1-4H3",SVJLJQBGUITFLI,UHFFFAOYSA,N,Arachidyl carnitine,SVJLJQBGUITFLI-UHFFFAOYSA-N
HMDB06461,423.334858933,C25H45NO4,CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9+,13-12+",MJLXQSQYKZWZCB,OKLKQMLOSA,N,Linoelaidyl carnitine,MJLXQSQYKZWZCB-OKLKQMLOSA-N
HMDB06462,167.025228471,C4H9NO4S,NC(CCS(O)=O)C(O)=O,"InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)",PDNJLMZEGXHSCU,UHFFFAOYSA,N,Homocysteinesulfinic acid,PDNJLMZEGXHSCU-UHFFFAOYSA-N
HMDB06463,419.303558805,C25H41NO4,CC\C=C/C\C=C/CC\C=C/CC\C=C/CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C25H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h6-7,9-10,13-14,17-18,23H,5,8,11-12,15-16,19-22H2,1-4H3/b7-6-,10-9-,14-13-,18-17-",UQCYGYDOQKYSDD,IIWKRHCOSA,N,Stearidonyl carnitine,UQCYGYDOQKYSDD-IIWKRHCOSA-N
HMDB06464,425.350508997,C25H47NO4,CCCCCCCC\C=C\CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12+",IPOLTUVFXFHAHI,OUKQBFOZSA,N,Elaidic carnitine,IPOLTUVFXFHAHI-OUKQBFOZSA-N
HMDB06465,568.281837084,C28H44N2O8S,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22-,23-,24+/m0/s1",PYSODLWHFWCFLV,VJBFNVCUSA,N,Leukotriene F4,PYSODLWHFWCFLV-VJBFNVCUSA-N
HMDB06467,887.136337737,C28H40N7O18P3S,[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)C1=CC=C(O)C=C1)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20+,21?,22+,26-/m1/s1",LTVXPVBFJBTNIJ,LLXKUOMWSA,N,4-hydroxybenzoyl-CoA,LTVXPVBFJBTNIJ-LLXKUOMWSA-N
HMDB06468,191.105862053,C10H13N3O,NC(=N)N1CC(O)C2=C(C1)C=CC=C2,"InChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12)",AKFURXZANOMQBD,UHFFFAOYSA,N,4-Hydroxydebrisoquine,AKFURXZANOMQBD-UHFFFAOYSA-N
HMDB06469,423.334858933,C25H45NO4,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,"InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1",MJLXQSQYKZWZCB,DQFWFXSYSA,N,Linoleyl carnitine,MJLXQSQYKZWZCB-DQFWFXSYSA-N
HMDB06471,206.042652674,C7H10O7,CC(O)(C(CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)",HHKPKXCSHMJWCF,UHFFFAOYSA,N,Methylisocitric acid,HHKPKXCSHMJWCF-UHFFFAOYSA-N
HMDB06472,374.245709576,C23H34O4,[H][C@@]12CC[C@H]([C@H](C)CC(O)=O)[C@@]1(C)CCC\C2=C/C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7+/t14-,18-,19-,20+,21+,23-/m1/s1",MBLYZRMZFUWLOZ,WLWRUGSRSA,N,Calcitroic acid,MBLYZRMZFUWLOZ-WLWRUGSRSA-N
HMDB06478,86.073164942,C5H10O,CC(C)CC=O,"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3",YGHRJJRRZDOVPD,UHFFFAOYSA,N,Iso-Valeraldehyde,YGHRJJRRZDOVPD-UHFFFAOYSA-N
HMDB06480,301.056267627,C8H16NO9P,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP(O)(O)=O,"InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8?/m1/s1",FZLJPEPAYPUMMR,KEWYIRBNSA,N,N-Acetyl-D-galactosamine 1-phosphate,FZLJPEPAYPUMMR-KEWYIRBNSA-N
HMDB06482,465.345734232,C23H50N2O5P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(=O)(O)OCC[N+](C)(C)C,"InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1",JLVSPVFPBBFMBE,HXSWCURESA,O,LysoSM(d18:1),JLVSPVFPBBFMBE-HXSWCURESA-O
HMDB06483,133.037507717,C4H7NO4,N[C@H](CC(O)=O)C(O)=O,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",CKLJMWTZIZZHCS,UWTATZPHSA,N,D-Aspartic acid,CKLJMWTZIZZHCS-UWTATZPHSA-N
HMDB06484,848.668261304,C58H88O4,COC1=C(O)C(=O)C(C)=C(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O,"InChI=1S/C58H88O4/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)55(59)57(61)58(62-13)56(54)60/h23,25,27,29,31,33,35,37,39,41,61H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41-",ONGWDJKIJUAIOD,LTLRQBCJSA,N,"2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone",ONGWDJKIJUAIOD-LTLRQBCJSA-N
HMDB06485,471.150246061,C20H21N7O7,NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1,"InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t13-/m0/s1",UXFQDXABPXWSTK,ZDUSSCGKSA,N,10-Formyldihydrofolate,UXFQDXABPXWSTK-ZDUSSCGKSA-N
HMDB06486,457.170981503,C20H23N7O6,CN1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CNC2=C1C(=O)N=C(N)N2,"InChI=1S/C20H23N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,9,13,22H,6-8H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t13-/m0/s1",VWNDXSYYCICZGD,ZDUSSCGKSA,N,5-Methyldihydrofolic acid,VWNDXSYYCICZGD-ZDUSSCGKSA-N
HMDB06487,957.310053755,C39H47N11O18,NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)=CN=C2N1,"InChI=1S/C39H47N11O18/c40-39-49-31-30(33(58)50-39)43-19(16-42-31)15-41-18-3-1-17(2-4-18)32(57)48-24(38(67)68)8-13-28(54)46-22(36(63)64)6-11-26(52)44-20(34(59)60)5-10-25(51)45-21(35(61)62)7-12-27(53)47-23(37(65)66)9-14-29(55)56/h1-4,16,20-24,41H,5-15H2,(H,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,57)(H,55,56)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H3,40,42,49,50,58)/t20-,21-,22-,23-,24-/m0/s1",IVSPPVMFGMVDLI,LSBAASHUSA,N,Pentaglutamyl folate,IVSPPVMFGMVDLI-LSBAASHUSA-N
HMDB06488,173.068807845,C7H11NO4,CC(=O)N[C@@H](CCC=O)C(O)=O,"InChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h4,6H,2-3H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1",BCPSFKBPHHBDAI,LURJTMIESA,N,N-Acetyl-L-glutamate 5-semialdehyde,BCPSFKBPHHBDAI-LURJTMIESA-N
HMDB06492,218.983757587,C6H5NO6S,OS(=O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)",JBGHTSSFSSUKLR,UHFFFAOYSA,N,4-Nitrophenyl sulfate,JBGHTSSFSSUKLR-UHFFFAOYSA-N
HMDB06496,473.350508997,C29H47NO4,CC\C=C\CC\C=C\C\C=C\CC\C=C\CC\C=C\CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,10-11,13-14,17-18,21-22,27H,5,8-9,12,15-16,19-20,23-26H2,1-4H3/b7-6+,11-10+,14-13+,18-17+,22-21+",AOSDFVDGMYPTHD,NQXOOMTHSA,N,Clupanodonyl carnitine,AOSDFVDGMYPTHD-NQXOOMTHSA-N
HMDB06497,1019.360524011,C38H68N7O17P3S,CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,31-,32-,33+,37-/m1/s1",DRABUZIHHACUPI,DUPKZGIXSA,N,Heptadecanoyl CoA,DRABUZIHHACUPI-DUPKZGIXSA-N
HMDB06498,1045.339788569,C39H66N7O18P3S,CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-26,28,32-34,38,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-2/t28-,32-,33-,34+,38-/m1/s1",LGOGWHDPDVAUNY,LFZQUHGESA,L,3-Oxooctadecanoyl-CoA,LGOGWHDPDVAUNY-LFZQUHGESA-L
HMDB06500,384.33921603,C27H44O,CC(C)CCC[C@@H](C)[C@H]1CCC2([H])C(=CCC[C@]12C)\C=C/C1=C(C)CC[C@H](O)C1,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26?,27-/m1/s1",YUGCAAVRZWBXEQ,QEYGBBHESA,N,Previtamin D3,YUGCAAVRZWBXEQ-QEYGBBHESA-N
HMDB06502,832.016964684,C20H24N10O19P4,NC1=NC=NC2=C1N=CN2C1OC(COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=CN=C3N)C(O)C1O,"InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4",YOAHKNVSNCMZGQ,UHFFFAOYSA,J,"P1,P4-Bis(5'-adenosyl) tetraphosphate",YOAHKNVSNCMZGQ-UHFFFAOYSA-J
HMDB06503,885.157073179,C29H42N7O17P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC1=CC=CC=C1,"InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1",ZIGIFDRJFZYEEQ,CECATXLMSA,N,Phenylacetyl-CoA,ZIGIFDRJFZYEEQ-CECATXLMSA-N
HMDB06505,384.33921603,C27H44O,[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25-,26-,27-/m1/s1",UCTLRSWJYQTBFZ,XMVWLVNMSA,N,Lumisterol 3,UCTLRSWJYQTBFZ-XMVWLVNMSA-N
HMDB06508,1049.313573819,C41H62N7O17P3S,OC(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N)C(=O)NCCC(=O)NCCSC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C41H62N7O17P3S/c1-25(13-14-28-27(3)12-9-16-40(28,4)5)10-8-11-26(2)20-31(50)69-19-18-43-30(49)15-17-44-38(53)35(52)41(6,7)22-62-68(59,60)65-67(57,58)61-21-29-34(64-66(54,55)56)33(51)39(63-29)48-24-47-32-36(42)45-23-46-37(32)48/h8,10-11,13-14,20,23-24,29,33-35,39,51-52H,9,12,15-19,21-22H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b11-8+,14-13+,25-10+,26-20+/t29-,33-,34-,35?,39-/m1/s1",GREHPZMOJNYZIO,QXBAZQDESA,N,Retinoyl CoA,GREHPZMOJNYZIO-QXBAZQDESA-N
HMDB06509,102.128274517,C6H16N,CCC[N+](C)(C)C,"InChI=1S/C6H16N/c1-5-6-7(2,3)4/h5-6H2,1-4H3/q+1",GSBKRFGXEJLVMI,UHFFFAOYSA,N,Nervonyl carnitine,GSBKRFGXEJLVMI-UHFFFAOYSA-N
HMDB06510,471.334858933,C29H45NO4,CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C29H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,27H,5,8,11,14,17,20,23-26H2,1-4H3/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+",WLLMYDQRCSWAST,BUHCESQUSA,N,Cervonyl carnitine,WLLMYDQRCSWAST-BUHCESQUSA-N
HMDB06511,192.02700261,C6H8O7,OC[C@H](O)C(O)C(=O)C(=O)C(O)=O,"InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3?/m0/s1",GJQWCDSAOUMKSE,SCQFTWEKSA,N,"2,3-Diketo-L-gulonate",GJQWCDSAOUMKSE-SCQFTWEKSA-N
HMDB06512,241.007863847,C6H11NO5S2,N[C@@H](CSSCC(O)C(O)=O)C(O)=O,"InChI=1S/C6H11NO5S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1",MAFDYIDMXCXBRB,WUCPZUCCSA,N,3-Mercaptolactate-cysteine disulfide,MAFDYIDMXCXBRB-WUCPZUCCSA-N
HMDB06513,1079.360524011,C43H68N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4-7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36?,37+,38+,42-/m1/s1",QKBTYZDPVNTERQ,DZSGNFQISA,N,"Docosa-4,7,10,13,16-pentaenoyl CoA",QKBTYZDPVNTERQ-DZSGNFQISA-N
HMDB06514,1051.329223883,C41H64N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34?,35+,36+,40-/m1/s1",JWZLRYCDDXHXDL,BCYDWBPESA,N,Timnodonyl CoA,JWZLRYCDDXHXDL-BCYDWBPESA-N
HMDB06516,1109.407474203,C45H74N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-/t34-,38?,39+,40+,44-/m1/s1",OKOXEYTYHDPTEW,RUHNTKSMSA,N,Tetracosatetraenoyl CoA,OKOXEYTYHDPTEW-RUHNTKSMSA-N
HMDB06519,1025.313573819,C39H62N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,14-15,26-28,32-34,38,49-50H,4,7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-,15-14-/t28-,32?,33+,34+,38-/m1/s1",DDHCSALWDPRVCN,PIYOKYFNSA,N,Stearidonoyl CoA,DDHCSALWDPRVCN-PIYOKYFNSA-N
HMDB06521,1031.360524011,C39H68N7O17P3S,CCCCCC\C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h9-10,26-28,32-34,38,49-50H,4-8,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b10-9+/t28-,32?,33+,34+,38-/m1/s1",HEJOXXLSCAQQGQ,HHFSZNSTSA,N,cis-Vaccenoyl CoA,HEJOXXLSCAQQGQ-HHFSZNSTSA-N
HMDB06522,863.172723243,C27H44N7O17P3S,CC\C=C\CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b6-5+/t16-,20-,21-,22?,26-/m1/s1",SKDDJNFRAZIJIG,PFNGVMQSSA,N,trans-3-Hexenoyl-CoA,SKDDJNFRAZIJIG-PFNGVMQSSA-N
HMDB06523,1053.344873947,C41H66N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34?,35+,36+,40-/m1/s1",JDEPVTUUCBFJIW,BSQIERQBSA,N,Arachidonyl-CoA,JDEPVTUUCBFJIW-BSQIERQBSA-N
HMDB06524,156.068748266,C10H8N2,N#CCC1=CNC2=C1C=CC=C2,"InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2",DMCPFOBLJMLSNX,UHFFFAOYSA,N,3-Indoleacetonitrile,DMCPFOBLJMLSNX-UHFFFAOYSA-N
HMDB06525,136.125200515,C10H16,CC1=CCC2CC1C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",GRWFGVWFFZKLTI,UHFFFAOYSA,N,(+)-a-Pinene,GRWFGVWFFZKLTI-UHFFFAOYSA-N
HMDB06526,1117.470074459,C45H82N7O17P3S,[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/t34-,38+,39?,40+,44-/m1/s1",MOYMQYZWIUKGGY,LIEWTTMESA,N,Tetracosanoyl-CoA,MOYMQYZWIUKGGY-LIEWTTMESA-N
HMDB06528,330.255880332,C22H34O2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O,"InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-",YUFFSWGQGVEMMI,JLNKQSITSA,N,Docosapentaenoic acid,YUFFSWGQGVEMMI-JLNKQSITSA-N
HMDB06529,1031.360524011,C39H68N7O17P3S,CCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h18-19,26-28,32-34,38,49-50H,4-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b19-18+/t28-,32?,33+,34+,38-/m1/s1",NBCCUIHOHUKBMK,XCRBYWPRSA,N,trans-Octadec-2-enoyl-CoA,NBCCUIHOHUKBMK-XCRBYWPRSA-N
HMDB06530,917.219673435,C31H50N7O17P3S,CC(C)C(=C)C\C=C(\C)C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8-/t20-,23?,24+,25+,29-/m1/s1",MPYXOYHSKAAPLW,LBZPFNSKSA,N,"trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA",MPYXOYHSKAAPLW-LBZPFNSKSA-N
HMDB06532,1003.329223883,C37H64N7O17P3S,CCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-",QBYOCCWNZAOZTL,KTKRTIGZSA,N,Palmitoleyl CoA,QBYOCCWNZAOZTL-KTKRTIGZSA-N
HMDB06534,230.01915384,C5H11O8P,OC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3,5-7,9H,1-2H2,(H2,10,11,12)/t3-,5-/m1/s1",NBOCCPQHBPGYCX,NQXXGFSBSA,N,D-Xylulose 1-phosphate,NBOCCPQHBPGYCX-NQXXGFSBSA-N
HMDB06535,383.142760647,C14H25NO11,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O,"InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10+,11+,12-,13-,14-/m1/s1",KFEUJDWYNGMDBV,MMOUBBDDSA,N,"Beta-1,4-mannose-N-acetylglucosamine",KFEUJDWYNGMDBV-MMOUBBDDSA-N
HMDB06537,707.248407507,C26H45NO21,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H]1O,"InChI=1S/C26H45NO21/c1-6(32)27-11-15(36)20(10(5-31)42-23(11)41)46-25-18(39)22(14(35)8(3-29)44-25)48-26-19(40)21(13(34)9(4-30)45-26)47-24-17(38)16(37)12(33)7(2-28)43-24/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25+,26+/m0/s1",ANPUOEHHKRCFGW,NRDBFSGKSA,N,(a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine,ANPUOEHHKRCFGW-NRDBFSGKSA-N
HMDB06540,917.219673435,C31H50N7O17P3S,CC(C)C(=C)C\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@@H](O)C1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8+/t20-,23+,24?,25+,29-/m1/s1",MPYXOYHSKAAPLW,METJZTKNSA,N,"cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA",MPYXOYHSKAAPLW-METJZTKNSA-N
HMDB06543,175.110947431,C10H13N3,NC(=N)N1CCC2=CC=CC=C2C1,"InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)",JWPGJSVJDAJRLW,UHFFFAOYSA,N,Debrisoquine,JWPGJSVJDAJRLW-UHFFFAOYSA-N
HMDB06547,276.20893014,C18H28O2,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",JIWBIWFOSCKQMA,LTKCOYKYSA,N,Stearidonic acid,JIWBIWFOSCKQMA-LTKCOYKYSA-N
HMDB06548,185.105193351,C9H15NO3,CN1C2CCC1[C@H]([C@@H](O)C2)C(O)=O,"InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8+/m0/s1",PHMBVCPLDPDESM,RLXKETGRSA,N,Ecgonine,PHMBVCPLDPDESM-RLXKETGRSA-N
HMDB06552,312.063388116,C17H12O6,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2C3C=COC3OC2=C1,"InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3",OQIQSTLJSLGHID,UHFFFAOYSA,N,Aflatoxin B1,OQIQSTLJSLGHID-UHFFFAOYSA-N
HMDB06555,332.052185302,C10H13N4O7P,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=NC2=C1NC=NC2=O,"InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1",PHNGFPPXDJJADG,RRKCRQDMSA,N,dIMP,PHNGFPPXDJJADG-RRKCRQDMSA-N
HMDB06556,147.053157781,C5H9NO4,N[C@@H](C[C@@H](O)C=O)C(O)=O,"InChI=1S/C5H9NO4/c6-4(5(9)10)1-3(8)2-7/h2-4,8H,1,6H2,(H,9,10)/t3-,4+/m1/s1",XCXUZPXOFFRGGP,DMTCNVIQSA,N,L-4-Hydroxyglutamate semialdehyde,XCXUZPXOFFRGGP-DMTCNVIQSA-N
HMDB06557,589.082238179,C16H25N5O15P2,NC1=C2N=CN([C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1",WFPZSXYXPSUOPY,ROYWQJLOSA,N,ADP-glucose,WFPZSXYXPSUOPY-ROYWQJLOSA-N
HMDB06558,328.058302738,C17H12O7,[H][C@]12O[C@@H]3O[C@@H]3[C@@]1([H])C1=C3OC(=O)C4=C(CCC4=O)C3=C(OC)C=C1O2,"InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14-,16+,17+/m1/s1",KHBXRZGALJGBPA,IRWJRLHMSA,N,"2,3-Epoxyaflatoxin B1",KHBXRZGALJGBPA-IRWJRLHMSA-N
HMDB06559,1344.43783304,C54H68N14O27,N[C@@H](CCC(O)=O)C(=O)OC(=O)C(N(C(=O)[C@@H](N)CCC(O)=O)C(=O)C1=CC=C(NCC2=NC3=C(N=C2)N=C(N)NC3=O)C=C1)(C(=O)[C@@H](N)CCC(O)=O)C(C(=O)[C@@H](N)CCC(O)=O)(C(=O)[C@@H](N)CCC(O)=O)C(C(O)=O)(C(=O)[C@@H](N)CCC(O)=O)C(=O)[C@@H](N)CCC(O)=O,"InChI=1S/C54H68N14O27/c55-24(5-12-31(69)70)39(83)52(49(92)93,40(84)25(56)6-13-32(71)72)53(41(85)26(57)7-14-33(73)74,42(86)27(58)8-15-34(75)76)54(43(87)28(59)9-16-35(77)78,50(94)95-48(91)30(61)11-18-37(81)82)68(47(90)29(60)10-17-36(79)80)46(89)21-1-3-22(4-2-21)63-19-23-20-64-44-38(65-23)45(88)67-51(62)66-44/h1-4,20,24-30,63H,5-19,55-61H2,(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,92,93)(H3,62,64,66,67,88)/t24-,25-,26-,27-,28-,29-,30-,54?/m0/s1",KNLHIYYNBQALAI,IMYKNWLQSA,N,Heptaglutamyl folic acid,KNLHIYYNBQALAI-IMYKNWLQSA-N
HMDB06560,384.33921603,C27H44O,CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])C(=CCC[C@]12C)\C=C\C1=C(C)CC[C@H](O)C1,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12+/t21-,24+,25-,26+,27-/m1/s1",YUGCAAVRZWBXEQ,FMCTZRJNSA,N,Tachysterol 3,YUGCAAVRZWBXEQ-FMCTZRJNSA-N
HMDB06562,354.240624198,C20H34O5,CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17+,18-,19+/m0/s1",VKTIONYPMSCHQI,JPRPWBOBSA,N,"8-iso-13,14-dihydro-15-keto-PGF2a",VKTIONYPMSCHQI-JPRPWBOBSA-N
HMDB06563,1086.35264685,C44H54N12O21,N[C@@H](CCC(=O)OC(=O)[C@](N(C(=O)CC[C@H](N)C(O)=O)C(=O)C1=CC=C(NCC2=CN=C3NC(N)=NC(=O)C3=N2)C=C1)(C(=O)CC[C@H](N)C(O)=O)C(CC(O)=O)(C(=O)CC[C@H](N)C(O)=O)C(=O)CC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C44H54N12O21/c45-21(36(66)67)5-10-26(57)43(15-30(61)62,27(58)11-6-22(46)37(68)69)44(28(59)12-7-23(47)38(70)71,41(76)77-31(63)14-9-25(49)40(74)75)56(29(60)13-8-24(48)39(72)73)35(65)18-1-3-19(4-2-18)51-16-20-17-52-33-32(53-20)34(64)55-42(50)54-33/h1-4,17,21-25,51H,5-16,45-49H2,(H,61,62)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H3,50,52,54,55,64)/t21-,22-,23-,24-,25-,44+/m0/s1",FWAQAOUHULVCBP,HCVVFSGQSA,N,Hexaglutamyl folate,FWAQAOUHULVCBP-HCVVFSGQSA-N
HMDB06565,820.29608598,C31H52N2O23,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1",LAQPKDLYOBZWBT,NYLDSJSYSA,N,Sialyl-Lewis X,LAQPKDLYOBZWBT-NYLDSJSYSA-N
HMDB06566,707.248407507,C26H45NO21,CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23?,24+,25+,26+/m1/s1",AXQLFFDZXPOFPO,FSGZUBPKSA,N,Lacto-N-tetraose,AXQLFFDZXPOFPO-FSGZUBPKSA-N
HMDB06567,707.248407507,C26H45NO21,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]1O,"InChI=1S/C26H45NO21/c1-7(33)27-13-17(39)22(47-25-19(41)18(40)15(37)10(4-30)43-25)12(6-32)45-24(13)48-23-16(38)11(5-31)44-26(20(23)42)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-/m0/s1",RBMYDHMFFAVMMM,PLQWBNBWSA,N,Neolactotetraose,RBMYDHMFFAVMMM-PLQWBNBWSA-N
HMDB06568,529.200669455,C20H35NO15,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](NC(C)=O)C=O,"InChI=1S/C20H35NO15/c1-6-11(27)13(29)15(31)19(33-6)35-17(8(3-22)21-7(2)25)18(9(26)4-23)36-20-16(32)14(30)12(28)10(5-24)34-20/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1",ZAFUNKXZZPSTLA,MBKDEEHCSA,N,Lewis X trisaccharide,ZAFUNKXZZPSTLA-MBKDEEHCSA-N
HMDB06569,633.211628071,C23H39NO19,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C23H39NO19/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1",VMWYCXKMRSTDSP,GIGDJUIZSA,N,6'-Sialyllactose,VMWYCXKMRSTDSP-GIGDJUIZSA-N
HMDB06575,383.142760647,C14H25NO11,CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14+/m1/s1",HMQPEDMEOBLSQB,RCBHQUQDSA,N,Lacto-N-biose I,HMQPEDMEOBLSQB-RCBHQUQDSA-N
HMDB06576,853.306316315,C32H55NO25,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)57-27-15(33-9(2)39)29(54-14(7-38)26(27)56-31-23(49)21(47)18(44)12(5-36)52-31)58-28-19(45)13(6-37)53-32(24(28)50)55-25(11(41)4-35)17(43)10(40)3-34/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,31-,32-/m0/s1",WMYQZGAEYLPOSX,QKPOUJQKSA,N,Lacto-N-fucopentaose III,WMYQZGAEYLPOSX-QKPOUJQKSA-N
HMDB06577,853.306316315,C32H55NO25,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)56-26-14(7-38)54-29(15(33-9(2)39)27(26)57-31-23(49)21(47)18(44)12(5-36)52-31)58-28-19(45)13(6-37)53-32(24(28)50)55-25(11(41)4-35)17(43)10(40)3-34/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,31-,32-/m0/s1",FKADDOYBRRMBPP,QKPOUJQKSA,N,Lacto-N-fucopentaose-2,FKADDOYBRRMBPP-QKPOUJQKSA-N
HMDB06578,501.216988221,C18H35N3O13,N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@H]1N)[C@H](O)CO,"InChI=1S/C18H35N3O13/c19-5(1-22)11(27)15(6(26)2-23)33-18-10(21)14(30)16(8(4-25)32-18)34-17-9(20)13(29)12(28)7(3-24)31-17/h1,5-18,23-30H,2-4,19-21H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-/m0/s1",HBAVVSYNWHLVDB,UDAFUQIYSA,N,Chitotriose,HBAVVSYNWHLVDB-UDAFUQIYSA-N
HMDB06579,820.29608598,C31H52N2O23,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)54-25(15(42)7-36)24(12(5-34)32-10(2)38)53-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1",INZOTETZQBPBCE,NYLDSJSYSA,N,3-Sialyl Lewis,INZOTETZQBPBCE-NYLDSJSYSA-N
HMDB06580,999.364225123,C38H65NO29,C[C@@H]1O[C@@H](O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C38H65NO29/c1-9-18(46)24(52)28(56)35(59-9)64-16(8-44)32(67-38-33(27(55)22(50)14(6-42)63-38)68-36-29(57)25(53)19(47)10(2)60-36)31(15(7-43)65-37-30(58)26(54)21(49)13(5-41)62-37)66-34-17(39-11(3)45)23(51)20(48)12(4-40)61-34/h7,9-10,12-38,40-42,44,46-58H,4-6,8H2,1-3H3,(H,39,45)/t9-,10-,12+,13+,14+,15-,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+,26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36-,37+,38+/m0/s1",PSJVAGXZRSPYJB,UUXGNFCPSA,N,Lacto-N-difucohexaose,PSJVAGXZRSPYJB-UUXGNFCPSA-N
HMDB06581,674.238177172,C25H42N2O19,[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(NC(C)=O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)14(35)10(34)4-28)46-21-15(36)11(5-29)43-23(18(21)39)44-19-12(6-30)42-22(27-8(2)32)17(38)16(19)37/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20+,21-,22?,23-,25+/m0/s1",HUNVSYPDCXFGLB,KROWHOKKSA,N,3-Sialyl-N-acetyllactosamine,HUNVSYPDCXFGLB-KROWHOKKSA-N
HMDB06582,529.200669455,C20H35NO15,[H][C@@](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](NC(C)=O)C=O,"InChI=1S/C20H35NO15/c1-6-11(27)13(29)15(31)19(33-6)36-18(9(26)4-23)17(8(3-22)21-7(2)25)35-20-16(32)14(30)12(28)10(5-24)34-20/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1",HHQLEBOUBWWITP,MBKDEEHCSA,N,Lewis a trisaccharide,HHQLEBOUBWWITP-MBKDEEHCSA-N
HMDB06583,383.142760647,C14H25NO11,CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,"InChI=1S/C14H25NO11/c1-5(19)15-6(2-16)9(21)13(7(20)3-17)26-14-12(24)11(23)10(22)8(4-18)25-14/h2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19)/t6-,7+,8+,9+,10-,11-,12+,13+,14-/m0/s1",HESSGHHCXGBPAJ,ZBELOFFLSA,N,Poly-N-acetyllactosamine,HESSGHHCXGBPAJ-ZBELOFFLSA-N
HMDB06584,674.238177172,C25H42N2O19,[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22?,23-,25-/m0/s1",RPSBVJXBTXEJJG,RAMSCCQBSA,N,6-Sialyl-N-acetyllactosamine,RPSBVJXBTXEJJG-RAMSCCQBSA-N
HMDB06587,634.232029162,C24H42O19,C[C@@H]1O[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C24H42O19/c1-6-11(29)15(33)18(36)22(38-6)42-20(13(31)8(28)3-25)10(5-27)41-24-21(17(35)14(32)9(4-26)40-24)43-23-19(37)16(34)12(30)7(2)39-23/h5-26,28-37H,3-4H2,1-2H3/t6-,7-,8+,9+,10-,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22-,23-,24+/m0/s1",BRHHWBDLMUBZQQ,JZEMXWCPSA,N,Lactodifucotetraose,BRHHWBDLMUBZQQ-JZEMXWCPSA-N
HMDB06588,965.333593697,C36H59N3O27,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O)[C@@H](NC(C)=O)C=O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C36H59N3O27/c1-11(44)37-14(6-40)28(25(54)19(51)10-61-35(33(57)58)4-15(47)21(38-12(2)45)29(64-35)23(52)17(49)7-41)63-32-27(56)31(26(55)20(9-43)62-32)66-36(34(59)60)5-16(48)22(39-13(3)46)30(65-36)24(53)18(50)8-42/h6,14-32,41-43,47-56H,4-5,7-10H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,57,58)(H,59,60)/t14-,15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31-,32-,35+,36-/m0/s1",SKJCZIMWAATHMG,CZYIXMLQSA,N,Disialosyl galactosyl globoside,SKJCZIMWAATHMG-CZYIXMLQSA-N
HMDB06589,998.343824032,C37H62N2O29,CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC3[C@H](O)[C@@H](CO)O[C@@H](OC4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)(OC1[C@H](O)[C@H](O)CO)C(O)=O,"InChI=1S/C37H62N2O29/c1-10(46)38-19-12(48)3-37(36(59)60,67-30(19)22(53)14(50)5-41)68-32-25(56)18(9-45)63-35(27(32)58)65-29-20(39-11(2)47)33(61-16(7-43)23(29)54)66-31-24(55)17(8-44)62-34(26(31)57)64-28(15(51)6-42)21(52)13(49)4-40/h4,12-35,41-45,48-58H,3,5-9H2,1-2H3,(H,38,46)(H,39,47)(H,59,60)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-,26+,27+,28+,29?,30?,31?,32-,33-,34-,35-,37-/m0/s1",QUOQJNYANJQSDA,MHQSSNGYSA,N,Sialyllacto-N-tetraose a,QUOQJNYANJQSDA-MHQSSNGYSA-N
HMDB06590,326.121296924,C12H22O10,C[C@@H]1O[C@@H](O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C12H22O10/c1-4-7(16)10(19)11(20)12(21-4)22-6(3-14)9(18)8(17)5(15)2-13/h3-13,15-20H,2H2,1H3/t4-,5+,6-,7+,8-,9+,10+,11-,12-/m0/s1",BQEBASLZIGFWEU,YYXBYDBJSA,N,2-O-a-L-Fucopyranosyl-galactose,BQEBASLZIGFWEU-YYXBYDBJSA-N
HMDB06591,341.132195961,C12H23NO10,N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,"InChI=1S/C12H23NO10/c13-4(1-14)7(18)11(5(17)2-15)23-12-10(21)9(20)8(19)6(3-16)22-12/h1,4-12,15-21H,2-3,13H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1",LAVNEPYDFKGEOD,JVCRWLNRSA,N,Lactosamine,LAVNEPYDFKGEOD-JVCRWLNRSA-N
HMDB06592,545.195584077,C20H35NO16,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O,"InChI=1S/C20H35NO16/c1-6(26)21-11-15(32)13(30)9(4-24)34-19(11)37-18-14(31)10(5-25)35-20(16(18)33)36-17(8(28)3-23)12(29)7(27)2-22/h2,7-20,23-25,27-33H,3-5H2,1H3,(H,21,26)/t7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17+,18-,19-,20-/m0/s1",RJTOFDPWCJDYFZ,SPVZFZGWSA,N,Lacto-N-triaose,RJTOFDPWCJDYFZ-SPVZFZGWSA-N
HMDB06593,998.343824032,C37H62N2O29,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2OC(CO[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]1O,"InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-23(53)26(56)27(57)34(64-18)66-30-17(8-44)63-33(20(25(30)55)39-11(2)46)67-32-24(54)16(7-43)62-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)/t12-,13-,14+,15+,16+,17+,18?,19+,20+,21+,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,37+/m0/s1",SXMGGNXBTZBGLU,IBUUTZGMSA,N,Sialyllacto-N-neotetraose c,SXMGGNXBTZBGLU-IBUUTZGMSA-N
HMDB06594,1289.439240557,C48H79N3O37,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C48H79N3O37/c1-12(57)49-23-15(60)4-47(45(74)75,86-37(23)26(64)17(62)6-52)78-11-22-30(68)36(25(51-14(3)59)42(82-22)85-39-28(66)19(8-54)80-43(33(39)71)83-35-21(10-56)79-41(73)32(70)31(35)69)84-44-34(72)40(29(67)20(9-55)81-44)88-48(46(76)77)5-16(61)24(50-13(2)58)38(87-48)27(65)18(63)7-53/h15-44,52-56,60-73H,4-11H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)(H,74,75)(H,76,77)/t15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41?,42-,43-,44-,47+,48-/m0/s1",FCIROHDMPFOSFG,LAVSNGQLSA,N,Disialyllacto-N-tetraose,FCIROHDMPFOSFG-LAVSNGQLSA-N
HMDB06595,515.221404897,C20H37NO14,C[C@@H]1O[C@@H](OC[C@@](C)(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C20H37NO14/c1-7-12(26)15(29)16(30)19(33-7)32-6-20(3,17(31)9(25)4-22)35-18-11(21-8(2)24)14(28)13(27)10(5-23)34-18/h7,9-19,22-23,25-31H,4-6H2,1-3H3,(H,21,24)/t7-,9+,10+,11+,12+,13-,14+,15+,16-,17-,18+,19+,20+/m0/s1",PWFTYELYTFERRB,VPTTUCOCSA,N,Alpha-Trisaccharide,PWFTYELYTFERRB-VPTTUCOCSA-N
HMDB06598,502.189770418,C19H34O15,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2([H])C[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O,"InChI=1S/C19H34O15/c20-2-6-1-9(13(28)15(30)11(6)26)32-18-14(29)10(5-23)33-19(16(18)31)34-17(8(25)4-22)12(27)7(24)3-21/h3,6-20,22-31H,1-2,4-5H2/t6-,7+,8-,9+,10-,11+,12-,13+,14+,15+,16-,17-,18+,19+/m1/s1",DRRWNKCTTZUPPM,FBSSLUAZSA,N,Isoglobotriaose,DRRWNKCTTZUPPM-FBSSLUAZSA-N
HMDB06599,504.169034976,C18H32O16,OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)[C@H](O)[C@@H](O)C=O,"InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)16(11(27)8(4-22)32-18)34-17-13(29)12(28)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10-,11-,12-,13+,14+,15+,16-,17-,18-/m0/s1",KZZUYHVLNLDKLB,KZCWKWOXSA,N,3-Galactosyllactose,KZZUYHVLNLDKLB-KZCWKWOXSA-N
HMDB06600,998.343824032,C37H62N2O29,CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O,"InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-25(55)30(66-34-27(57)26(56)23(53)16(7-43)62-34)20(39-11(2)46)33(64-18)67-32-24(54)17(8-44)63-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,37+/m0/s1",SFMRPVLZMVJKGZ,JRZQLMJNSA,N,Sialyllacto-N-tetraose b,SFMRPVLZMVJKGZ-JRZQLMJNSA-N
HMDB06601,488.174120354,C18H32O15,[H][C@](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@@H](O)C(O)CO)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C=O,"InChI=1S/C18H32O15/c1-5-9(23)12(26)14(28)17(30-5)32-8(4-21)16(10(24)6(22)2-19)33-18-15(29)13(27)11(25)7(3-20)31-18/h4-20,22-29H,2-3H2,1H3/t5-,6?,7+,8-,9+,10-,11-,12+,13-,14-,15+,16+,17-,18+/m0/s1",OZIOWHWTZWIMCZ,ZAATXKLJSA,N,B-Trisaccharide,OZIOWHWTZWIMCZ-ZAATXKLJSA-N
HMDB06602,1072.380603468,C40H68N2O31,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)C1O,"InChI=1S/C40H68N2O31/c1-10(49)41-19-26(58)33(71-38-29(61)27(59)22(54)14(5-45)66-38)17(8-48)68-36(19)64-9-18-25(57)35(31(63)40(69-18)70-32(13(52)4-44)21(53)12(51)3-43)73-37-20(42-11(2)50)34(24(56)16(7-47)65-37)72-39-30(62)28(60)23(55)15(6-46)67-39/h3,12-40,44-48,51-63H,4-9H2,1-2H3,(H,41,49)(H,42,50)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24+,25?,26+,27-,28-,29+,30+,31+,32+,33+,34+,35?,36+,37-,38-,39-,40-/m0/s1",ZDZMLVPSYYRJNI,VHFVHBOSSA,N,Lacto-N-hexaose,ZDZMLVPSYYRJNI-VHFVHBOSSA-N
HMDB06603,342.116211546,C12H22O11,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@@H](O)C=O)[C@H](O)[C@H](O)CO,"InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8+,9+,10-,11-,12+/m1/s1",YGEHCIVVZVBCLE,AUCXZHPRSA,N,3-b-Galactopyranosyl glucose,YGEHCIVVZVBCLE-AUCXZHPRSA-N
HMDB06605,1144.40173284,C43H72N2O33,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@H](NC(C)=O)C2O[C@@H]2O[C@H](CO)[C@H](O)C(O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C43H72N2O33/c1-11-23(58)28(63)29(64)39(69-11)74-33-20(10-51)72-38(76-36-26(61)18(8-49)70-40(30(36)65)73-32(17(57)7-48)24(59)15(55)5-46)22(45-13(3)53)35(33)75-41-31(66)37(27(62)19(9-50)71-41)78-43(42(67)68)4-14(54)21(44-12(2)52)34(77-43)25(60)16(56)6-47/h5,11,14-41,47-51,54-66H,4,6-10H2,1-3H3,(H,44,52)(H,45,53)(H,67,68)/t11-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35?,36-,37?,38-,39-,40-,41-,43-/m0/s1",DBXMZPZIFJCVQO,RKVJIPOWSA,N,Sialyl Lewis<sup>a</sup> penta,DBXMZPZIFJCVQO-RKVJIPOWSA-N
HMDB06606,779.269536879,C29H49NO23,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)C=O,"InChI=1S/C29H49NO23/c1-8-16(40)19(43)20(44)26(48-8)50-22(12(38)5-32)23(13(39)6-33)51-27-21(45)25(18(42)14(7-34)49-27)53-29(28(46)47)3-10(36)15(30-9(2)35)24(52-29)17(41)11(37)4-31/h5,8,10-27,31,33-34,36-45H,3-4,6-7H2,1-2H3,(H,30,35)(H,46,47)/t8-,10-,11+,12-,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,29-/m0/s1",FNCPZGGSTQEGGK,DRSOAOOLSA,N,3'-Sialyl-3-fucosyllactose,FNCPZGGSTQEGGK-DRSOAOOLSA-N
HMDB06607,632.227612486,C23H40N2O18,CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](N)C=O)[C@@H]2O)(OC1[C@H](O)[C@H](O)CO)C(O)=O,"InChI=1S/C23H40N2O18/c1-7(30)25-13-9(31)2-23(22(38)39,42-19(13)15(35)10(32)4-27)43-20-16(36)12(6-29)40-21(17(20)37)41-18(11(33)5-28)14(34)8(24)3-26/h3,8-21,27-29,31-37H,2,4-6,24H2,1H3,(H,25,30)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19?,20-,21-,23-/m0/s1",MKNNYTWMAUAKMA,FRLIKFETSA,N,3'-Sialyllactosamine,MKNNYTWMAUAKMA-FRLIKFETSA-N
HMDB06608,998.343824032,C37H62N2O29,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)C(O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]1O,"InChI=1S/C37H62N2O29/c1-10(46)38-19-12(48)3-37(36(59)60,67-30(19)22(53)14(50)5-41)68-32-24(55)17(8-44)62-35(27(32)58)65-29-18(9-45)63-33(20(25(29)56)39-11(2)47)66-31-23(54)16(7-43)61-34(26(31)57)64-28(15(51)6-42)21(52)13(49)4-40/h4,12-35,41-45,48-58H,3,5-9H2,1-2H3,(H,38,46)(H,39,47)(H,59,60)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29+,30+,31-,32?,33-,34-,35-,37-/m0/s1",ILRKELAUAFUGGJ,XLXDPAEISA,N,LS tetrasaccharide d,ILRKELAUAFUGGJ-XLXDPAEISA-N
HMDB06610,1072.380603468,C40H68N2O31,CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H]2O)O[C@H](CO)C(O[C@@H]2O[C@H](CO)[C@H](O)C(O[C@@H]3O[C@H](CO)[C@@H](O)C(O[C@@H]4OC([C@H](O)CO)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O,"InChI=1S/C40H68N2O31/c1-10(50)41-19-25(59)32(18(9-49)67-36(19)72-34-23(57)16(7-47)65-39(28(34)62)68-30(13(53)4-44)21(55)12(52)3-43)70-40-29(63)35(24(58)17(8-48)66-40)73-37-20(42-11(2)51)33(22(56)15(6-46)64-37)71-38-27(61)26(60)31(69-38)14(54)5-45/h3,12-40,44-49,52-63H,4-9H2,1-2H3,(H,41,50)(H,42,51)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25+,26+,27+,28-,29+,30+,31?,32?,33?,34-,35?,36-,37-,38-,39-,40-/m0/s1",CECUNSINFZGPFB,GYSAPJFVSA,N,Lacto-N-neohexaose,CECUNSINFZGPFB-GYSAPJFVSA-N
HMDB06611,1202.443597654,C46H78N2O34,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C46H78N2O34/c1-11-23(59)30(66)32(68)43(71-11)78-36-20(10-54)76-42(80-38-27(63)18(8-52)74-45(34(38)70)77-35(16(58)6-50)25(61)15(57)5-49)22(48-14(4)56)37(36)79-46-40(82-44-33(69)31(67)24(60)12(2)72-44)39(28(64)19(9-53)75-46)81-41-21(47-13(3)55)29(65)26(62)17(7-51)73-41/h5,11-12,15-46,50-54,57-70H,6-10H2,1-4H3,(H,47,55)(H,48,56)/t11-,12-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42-,43-,44?,45-,46-/m0/s1",YJCAHLHWIAUVGH,UWRBOSPOSA,N,Alpha-Heptasaccharide,YJCAHLHWIAUVGH-UWRBOSPOSA-N
HMDB06612,1218.438512276,C46H78N2O35,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@@H](C[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OO[C@H]2O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C46H78N2O35/c1-11-23(59)28(64)31(67)42(72-11)79-39-21(47-12(2)55)17(4-14(5-49)36(39)76-43-32(68)29(65)25(61)18(8-52)74-43)82-83-46-35(71)40(34(70)45(81-46)77-37(16(58)7-51)24(60)15(57)6-50)80-41-22(48-13(3)56)38(27(63)20(10-54)73-41)78-44-33(69)30(66)26(62)19(9-53)75-44/h6,11,14-46,49,51-54,57-71H,4-5,7-10H2,1-3H3,(H,47,55)(H,48,56)/t11-,14+,15-,16+,17+,18+,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38?,39+,40+,41-,42-,43-,44-,45+,46+/m0/s1",GKEWHGPIQCSUCC,JJGOEJEFSA,N,Monofucosyllacto-N-hexaose,GKEWHGPIQCSUCC-JJGOEJEFSA-N
HMDB06614,1144.40173284,C43H72N2O33,C[C@@H]1OC(O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)C(O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C43H72N2O33/c1-11-23(58)28(63)29(64)39(69-11)75-35-22(45-13(3)53)38(76-36-26(61)18(8-49)70-40(30(36)65)73-32(17(57)7-48)24(59)15(55)5-46)72-20(10-51)33(35)74-41-31(66)37(27(62)19(9-50)71-41)78-43(42(67)68)4-14(54)21(44-12(2)52)34(77-43)25(60)16(56)6-47/h5,11,14-41,47-51,54-66H,4,6-10H2,1-3H3,(H,44,52)(H,45,53)(H,67,68)/t11-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25?,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38-,39?,40-,41-,43-/m0/s1",MIEFTLKRJLOCFD,WXGLPKFQSA,N,Sialyl Lex penta,MIEFTLKRJLOCFD-WXGLPKFQSA-N
HMDB06616,1364.496421084,C52H88N2O39,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)C5O)[C@H](NC(C)=O)C4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)C4O)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C52H88N2O39/c1-12-25(66)31(72)34(75)48(80-12)88-40-21(10-60)85-47(24(54-15(4)63)43(40)91-50-36(77)33(74)28(69)18(7-57)82-50)93-45-30(71)20(9-59)84-52(38(45)79)89-41-22(11-61)86-46(23(53-14(3)62)42(41)90-49-35(76)32(73)26(67)13(2)81-49)92-44-29(70)19(8-58)83-51(37(44)78)87-39(17(65)6-56)27(68)16(64)5-55/h5,12-13,16-52,56-61,64-79H,6-11H2,1-4H3,(H,53,62)(H,54,63)/t12-,13-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35?,36+,37?,38+,39+,40+,41+,42?,43+,44-,45?,46-,47-,48-,49-,50-,51-,52-/m0/s1",BCUMESVDMXHZRL,JUDCGFFFSA,N,Difucosyl-para-N-hexaose,BCUMESVDMXHZRL-JUDCGFFFSA-N
HMDB06618,1364.496421084,C52H88N2O39,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(OC[C@H]3O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)C(O[C@@H]4O[C@H](CO)C(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C52H88N2O39/c1-12-25(65)31(71)35(75)48(81-12)91-43-23(53-14(3)61)46(85-20(9-59)41(43)89-50-37(77)33(73)28(68)18(7-57)83-50)80-11-22-30(70)45(39(79)52(87-22)88-40(17(64)6-56)27(67)16(63)5-55)93-47-24(54-15(4)62)44(92-49-36(76)32(72)26(66)13(2)82-49)42(21(10-60)86-47)90-51-38(78)34(74)29(69)19(8-58)84-51/h5,12-13,16-52,56-60,63-79H,6-11H2,1-4H3,(H,53,61)(H,54,62)/t12-,13-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42?,43+,44?,45?,46?,47-,48-,49-,50-,51-,52-/m0/s1",XOHQYIKZIFWWAG,MPHKLDOWSA,N,Difucosyllactohexaose,XOHQYIKZIFWWAG-MPHKLDOWSA-N
HMDB06619,1364.496421084,C52H88N2O39,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3[C@@H](O)C(CO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C52H88N2O39/c1-12-25(65)31(71)35(75)48(81-12)89-42-21(10-60)86-47(24(54-15(4)62)44(42)92-51-38(78)34(74)29(69)19(8-58)84-51)93-45-30(70)22(87-52(39(45)79)88-40(17(64)6-56)27(67)16(63)5-55)11-80-46-23(53-14(3)61)43(91-49-36(76)32(72)26(66)13(2)82-49)41(20(9-59)85-46)90-50-37(77)33(73)28(68)18(7-57)83-50/h5,12-13,16-52,56-60,63-79H,6-11H2,1-4H3,(H,53,61)(H,54,62)/t12-,13-,16-,17+,18+,19+,20+,21+,22?,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45?,46+,47-,48-,49-,50+,51-,52-/m0/s1",BCENFJUGBDUPJS,ZVOZPCDCSA,N,Difucosyllacto-N-hexaose b,BCENFJUGBDUPJS-ZVOZPCDCSA-N
HMDB06620,488.174120354,C18H32O15,CO[C@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O,"InChI=1S/C18H32O15/c1-28-16-14(27)15(33-18-13(26)11(24)9(22)6(2-19)31-18)10(23)7(32-16)4-30-17-12(25)8(21)5(20)3-29-17/h5-27H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1",RTVRUWIBAVHRQX,PMEZUWKYSA,N,Fucosyllactose,RTVRUWIBAVHRQX-PMEZUWKYSA-N
HMDB06621,1510.554329892,C58H98N2O43,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(NC(C)=O)C(OC3C(O)C(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)OC(CO)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C58H98N2O43/c1-13-27(71)34(78)39(83)53(89-13)98-46-23(11-66)95-52(26(60-17(5)68)48(46)101-58-50(38(82)32(76)21(9-64)93-58)103-55-41(85)36(80)29(73)15(3)91-55)102-49-33(77)24(96-57(43(49)87)97-44(19(70)7-62)30(74)18(69)6-61)12-88-51-25(59-16(4)67)47(100-54-40(84)35(79)28(72)14(2)90-54)45(22(10-65)94-51)99-56-42(86)37(81)31(75)20(8-63)92-56/h6,13-15,18-58,62-66,69-87H,7-12H2,1-5H3,(H,59,67)(H,60,68)",YOTBLRKYLWEPOA,UHFFFAOYSA,N,Trifucosyllacto-N-hexaose,YOTBLRKYLWEPOA-UHFFFAOYSA-N
HMDB06622,1364.496421084,C52H88N2O39,C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2OC2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](C)[C@H](OC([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C52H88N2O39/c1-12-39(87-48-23(53-14(3)61)42(29(69)20(9-59)82-48)90-52-44(34(74)28(68)19(8-58)84-52)92-49-36(76)31(71)25(65)13(2)81-49)30(70)22(86-46(12)88-40(17(64)6-56)26(66)16(63)5-55)11-80-47-24(54-15(4)62)43(91-51-38(78)33(73)35(75)45(79)93-51)41(21(10-60)85-47)89-50-37(77)32(72)27(67)18(7-57)83-50/h5,12-13,16-52,56-60,63-79H,6-11H2,1-4H3,(H,53,61)(H,54,62)/t12-,13+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,34+,35+,36+,37-,38+,39-,40?,41-,42?,43-,44-,45-,46+,47-,48+,49-,50-,51-,52+/m1/s1",OAXMVFUPLMUHGJ,JUZXSSEISA,N,Difucosyllacto-N-hexaose a,OAXMVFUPLMUHGJ-JUZXSSEISA-N
HMDB06625,2222.78300501,C84H138N6O62,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C84H138N6O62/c1-20(101)85-39-26(107)7-83(81(128)129,149-65(39)45(111)28(109)9-91)151-68-49(115)32(13-95)134-77(59(68)125)144-63-36(17-99)139-74(43(54(63)120)89-24(5)105)147-70-56(122)47(113)30(11-93)136-79(70)132-19-38-51(117)67(58(124)76(141-38)143-62-35(16-98)138-73(42(53(62)119)88-23(4)104)142-61-34(15-97)133-72(127)41(52(61)118)87-22(3)103)146-80-71(57(123)48(114)31(12-94)137-80)148-75-44(90-25(6)106)55(121)64(37(18-100)140-75)145-78-60(126)69(50(116)33(14-96)135-78)152-84(82(130)131)8-27(108)40(86-21(2)102)66(150-84)46(112)29(110)10-92/h26-80,91-100,107-127H,7-19H2,1-6H3,(H,85,101)(H,86,102)(H,87,103)(H,88,104)(H,89,105)(H,90,106)(H,128,129)(H,130,131)/t26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51+,52+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,67-,68-,69-,70-,71-,72?,73-,74-,75-,76-,77-,78-,79-,80+,83-,84-/m0/s1",RDUPXSKIKTZZLY,FKVHUISKSA,N,Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2) Man(1->3)Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2)Man(1->6)Man(1->4)GlcNAc(1->4)GlcNAc,RDUPXSKIKTZZLY-FKVHUISKSA-N
HMDB06627,982.34890941,C37H62N2O28,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@@H]([C@@H](O)C=O)[C@@H](O)[C@H](O)CO)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C37H62N2O28/c1-10-21(51)25(55)26(56)34(60-10)65-31-20(39-12(3)46)33(63-28(16(50)7-42)22(52)14(48)5-40)62-18(9-44)29(31)64-35-27(57)32(24(54)17(8-43)61-35)67-37(36(58)59)4-13(47)19(38-11(2)45)30(66-37)23(53)15(49)6-41/h7,10,13-35,40-41,43-44,47-57H,4-6,8-9H2,1-3H3,(H,38,45)(H,39,46)(H,58,59)/t10-,13-,14+,15+,16-,17+,18+,19+,20+,21+,22-,23+,24-,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35-,37-/m0/s1",HQNBIPWULVCDPY,CPXHVKNHSA,N,Sialyl Lex tetra,HQNBIPWULVCDPY-CPXHVKNHSA-N
HMDB06628,1072.380603468,C40H68N2O31,CC(=O)N[C@@H]1[C@@H](O)C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1OCC1O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O,"InChI=1S/C40H68N2O31/c1-10(49)41-19-26(58)33(71-38-29(61)27(59)22(54)14(5-45)66-38)17(8-48)68-36(19)64-9-18-25(57)35(31(63)40(69-18)70-32(13(52)4-44)21(53)12(51)3-43)73-37-20(42-11(2)50)34(24(56)16(7-47)65-37)72-39-30(62)28(60)23(55)15(6-46)67-39/h3,12-40,44-48,51-63H,4-9H2,1-2H3,(H,41,49)(H,42,50)/t12-,13+,14+,15+,16+,17+,18?,19+,20+,21+,22-,23-,24+,25-,26+,27-,28-,29+,30+,31+,32+,33?,34+,35-,36+,37-,38-,39-,40-/m0/s1",ZDZMLVPSYYRJNI,CYQYEHMMSA,N,p-Lacto-N-hexaose,ZDZMLVPSYYRJNI-CYQYEHMMSA-N
HMDB06631,998.343824032,C37H62N2O29,CC(=O)NC1C(O)C(OC2OC(COC3(CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)C(O)=O)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C1O,"InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-23(53)26(56)27(57)34(64-18)66-30-17(8-44)63-33(20(25(30)55)39-11(2)46)67-32-24(54)16(7-43)62-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)",SXMGGNXBTZBGLU,UHFFFAOYSA,N,Sialyllacto-N-tetraose c,SXMGGNXBTZBGLU-UHFFFAOYSA-N
HMDB06633,982.34890941,C37H62N2O28,C[C@@H]1OC(O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@@H](O)C=O)[C@@H](O)[C@H](O)CO)[C@H](NC(C)=O)C2O[C@@H]2O[C@H](CO)[C@H](O)C(O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)C(O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C37H62N2O28/c1-10-21(51)25(55)26(56)34(60-10)64-29-18(9-44)62-33(63-28(16(50)7-42)22(52)14(48)5-40)20(39-12(3)46)31(29)65-35-27(57)32(24(54)17(8-43)61-35)67-37(36(58)59)4-13(47)19(38-11(2)45)30(66-37)23(53)15(49)6-41/h7,10,13-35,40-41,43-44,47-57H,4-6,8-9H2,1-3H3,(H,38,45)(H,39,46)(H,58,59)/t10-,13-,14+,15+,16-,17+,18+,19+,20+,21+,22-,23?,24-,25+,26-,27+,28+,29+,30?,31?,32?,33-,34?,35-,37-/m0/s1",ARDCDNROJUBBMX,NJMSAGAYSA,N,Sialyl Lea tetra,ARDCDNROJUBBMX-NJMSAGAYSA-N
HMDB06643,1218.438512276,C46H78N2O35,CC1OC(OC2(CC(NC(C)=O)C(OC3C(O)C(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)OC2CO)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C46H78N2O35/c1-12-24(59)30(65)34(69)44(73-12)82-46(83-45-35(70)32(67)27(62)19(8-52)75-45)4-15(47-13(2)55)40(78-22(46)10-54)81-39-28(63)21(77-43(36(39)71)79-37(17(58)6-50)25(60)16(57)5-49)11-72-41-23(48-14(3)56)29(64)38(20(9-53)76-41)80-42-33(68)31(66)26(61)18(7-51)74-42/h5,12,15-45,50-54,57-71H,4,6-11H2,1-3H3,(H,47,55)(H,48,56)",DUUXDOCGEHMZIH,UHFFFAOYSA,N,Lacto-N-fucoheptaose,DUUXDOCGEHMZIH-UHFFFAOYSA-N
HMDB06650,1733.209937702,C95H168N4O23,CC[C@H]1OC(OC2[C@H](C)[C@@H](NC(C)=O)C(OC[C@H]3OC(OC4[C@H](C)[C@@H](NC(C)=O)C(OCC5OC(OC6[C@@H](C)OC(C)[C@H](C)[C@H]6C)[C@H](C)C(OC6O[C@H](CC)[C@H](C)C(OC7O[C@H](CC)[C@H](C)[C@H](C)[C@H]7C)[C@H]6NC(C)=O)[C@H]5C)O[C@@H]4CC)[C@H](C)C(OC4O[C@H](CC)[C@H](C)C(OC5O[C@H](CC)[C@H](C)[C@H](C)[C@H]5C)[C@H]4NC(C)=O)[C@H]3C)O[C@@H]2CC)[C@H](C)[C@@H](C)[C@H]1C,"InChI=1S/C95H168N4O23/c1-33-67-46(12)42(8)50(16)87(107-67)119-83-57(23)76(96-63(29)100)92(112-72(83)38-6)105-41-75-56(22)81(117-95-79(99-66(32)103)86(54(20)71(37-5)111-95)122-89-52(18)44(10)48(14)69(35-3)109-89)60(26)91(115-75)120-84-58(24)77(97-64(30)101)93(113-73(84)39-7)104-40-74-55(21)80(59(25)90(114-74)118-82-49(15)45(11)61(27)106-62(82)28)116-94-78(98-65(31)102)85(53(19)70(36-4)110-94)121-88-51(17)43(9)47(13)68(34-2)108-88/h42-62,67-95H,33-41H2,1-32H3,(H,96,100)(H,97,101)(H,98,102)(H,99,103)/t42-,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57+,58+,59+,60+,61?,62+,67+,68+,69+,70+,71+,72+,73+,74?,75+,76+,77+,78+,79+,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91?,92?,93?,94?,95?/m0/s1",SJQVFWDWZSSQJI,RIIJGTCGSA,N,Lacto-N-decaose,SJQVFWDWZSSQJI-RIIJGTCGSA-N
HMDB06668,1363.476019993,C51H85N3O39,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](CO)OC1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]1O,"InChI=1S/C51H85N3O39/c1-13(63)52-25-16(66)4-51(50(80)81,92-41(25)29(71)18(68)6-56)93-44-32(74)22(10-60)84-49(37(44)79)89-40-24(12-62)86-46(27(34(40)76)54-15(3)65)91-43-31(73)21(9-59)83-48(36(43)78)88-39-23(11-61)85-45(26(33(39)75)53-14(2)64)90-42-30(72)20(8-58)82-47(35(42)77)87-38(19(69)7-57)28(70)17(67)5-55/h5,16-49,56-62,66-79H,4,6-12H2,1-3H3,(H,52,63)(H,53,64)(H,54,65)(H,80,81)/t16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45?,46-,47-,48-,49-,51-/m0/s1",WUGAMWNNHSAGPE,ZDXMHWJZSA,N,O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Gluc,WUGAMWNNHSAGPE-ZDXMHWJZSA-N
HMDB06669,1509.533928801,C57H95N3O43,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(OC[C@H]3O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C57H95N3O43/c1-14-30(74)37(81)40(84)52(92-14)101-48-29(60-17(4)69)50(94-24(11-66)46(48)100-53-41(85)38(82)33(77)22(9-64)93-53)90-12-25-35(79)49(43(87)55(96-25)98-44(21(73)8-63)31(75)19(71)6-61)102-51-28(59-16(3)68)36(80)45(23(10-65)95-51)99-54-42(86)39(83)34(78)26(97-54)13-91-57(56(88)89)5-18(70)27(58-15(2)67)47(103-57)32(76)20(72)7-62/h6,14,18-55,62-66,70-87H,5,7-13H2,1-4H3,(H,58,67)(H,59,68)(H,60,69)(H,88,89)/t14-,18-,19-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50?,51-,52-,53-,54-,55-,57+/m0/s1",IOKUYBHFAWYJCU,YVJUBDGKSA,N,O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-O-2-,IOKUYBHFAWYJCU-YVJUBDGKSA-N
HMDB06676,1435.497149365,C54H89N3O41,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](OC2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)C1O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C54H89N3O41/c1-14-30(73)36(79)37(80)48(88-14)93-41-26(13-87-53(51(83)84)5-18(67)27(55-15(2)64)42(96-53)32(75)21(70)8-59)91-47(95-45-34(77)24(11-62)89-49(38(45)81)92-40(23(72)10-61)31(74)20(69)7-58)29(57-17(4)66)44(41)94-50-39(82)46(35(78)25(12-63)90-50)98-54(52(85)86)6-19(68)28(56-16(3)65)43(97-54)33(76)22(71)9-60/h7,14,18-50,59-63,67-82H,5-6,8-13H2,1-4H3,(H,55,64)(H,56,65)(H,57,66)(H,83,84)(H,85,86)/t14-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-,36+,37?,38+,39+,40+,41+,42+,43+,44+,45?,46-,47-,48-,49-,50-,53+,54-/m0/s1",KNWXPODBRXAWBX,PFNBIPCHSA,N,Disialyllacto-N-fucopentaose II,KNWXPODBRXAWBX-PFNBIPCHSA-N
HMDB06677,1391.507320121,C53H89N3O39,CC1OC(OC(C(O)C=O)C(OC2OC(CO)C(O)C(OC3OC(COC4CC(O)C(NC(C)=O)C(O4)C(O)C(O)CO)C(O)C(OC4OC(CO)C(O)C(OC5(CC(O)C(NC(C)=O)C(O5)C(O)C(O)CO)C(O)=O)C4O)C3NC(C)=O)C2O)C(O)CO)C(O)C(O)C1O,"InChI=1S/C53H89N3O39/c1-14-31(72)37(78)38(79)49(85-14)90-41(22(70)9-59)42(23(71)10-60)91-50-39(80)46(34(75)24(11-61)86-50)93-48-30(56-17(4)65)44(36(77)26(88-48)13-84-27-5-18(66)28(54-15(2)63)43(89-27)32(73)20(68)7-57)92-51-40(81)47(35(76)25(12-62)87-51)95-53(52(82)83)6-19(67)29(55-16(3)64)45(94-53)33(74)21(69)8-58/h9,14,18-51,57-58,60-62,66-81H,5-8,10-13H2,1-4H3,(H,54,63)(H,55,64)(H,56,65)(H,82,83)",KJKXUFHSXFKOSF,UHFFFAOYSA,N,Neu5Aca2-3Galb1-3GlcN(Neu5Aca2-6)(Fuca1-4)Acb1-3Galb1-4Glc,KJKXUFHSXFKOSF-UHFFFAOYSA-N
HMDB06680,1654.571436518,C62H102N4O47,CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OCC1OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC2OC(COC3(CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)C(O)=O)C(O)C(OC3OC(CO)C(O)C(OC4(CC(O)C(NC(C)=O)C(O4)C(O)C(O)CO)C(O)=O)C3O)C2NC(C)=O)C1O,"InChI=1S/C62H102N4O47/c1-16(74)63-31-20(78)5-61(59(96)97,111-50(31)36(85)23(81)8-68)101-15-30-40(89)49(109-58-46(95)53(39(88)27(12-72)103-58)113-62(60(98)99)6-21(79)32(64-17(2)75)51(112-62)37(86)24(82)9-69)34(66-19(4)77)55(105-30)110-52-41(90)29(106-57(45(52)94)107-47(25(83)10-70)35(84)22(80)7-67)14-100-54-33(65-18(3)76)42(91)48(28(13-73)104-54)108-56-44(93)43(92)38(87)26(11-71)102-56/h7,20-58,68-73,78-95H,5-6,8-15H2,1-4H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,96,97)(H,98,99)",DUVKOIQTTLSEBM,UHFFFAOYSA,N,Disialyllacto-N-hexaose II,DUVKOIQTTLSEBM-UHFFFAOYSA-N
HMDB06681,1654.571436518,C62H102N4O47,CC(=O)NC1C(O)OC(CC1C(O)C(O)CO)(OC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(O)C(COC4OC(CO)C(OC5OC(COC6(CC(O)C(NC(C)=O)C(O6)C(O)C(O)CO)C(O)=O)C(O)C(O)C5O)C(O)C4NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C2NC(C)=O)C1O)C(O)=O,"InChI=1S/C62H102N4O47/c1-16(74)63-31-20(35(83)22(79)7-67)5-62(60(98)99,113-53(31)95)112-52-40(88)27(12-72)103-58(46(52)94)109-49-34(66-19(4)77)55(102-26(11-71)39(49)87)110-51-41(89)29(105-57(45(51)93)107-47(25(82)10-70)36(84)23(80)8-68)14-100-54-33(65-18(3)76)42(90)48(28(13-73)104-54)108-56-44(92)43(91)38(86)30(106-56)15-101-61(59(96)97)6-21(78)32(64-17(2)75)50(111-61)37(85)24(81)9-69/h8,20-58,67,69-73,78-95H,5-7,9-15H2,1-4H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,96,97)(H,98,99)",UUZWLWYXBNTJDG,UHFFFAOYSA,N,Disialyllacto-N-hexaose I,UUZWLWYXBNTJDG-UHFFFAOYSA-N
HMDB06691,1437.512799429,C54H91N3O41,CC(=O)N[C@@H]1[C@@H](O)[C@H](OC2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]1O,"InChI=1S/C54H91N3O41/c1-13(67)55-25-34(78)42(23(11-65)90-48(25)96-45-31(75)20(8-62)87-52(38(45)82)92-41(17(71)5-59)28(72)16(70)4-58)93-53-39(83)46(32(76)21(9-63)88-53)97-49-26(56-14(2)68)35(79)43(24(12-66)91-49)94-54-40(84)47(33(77)22(10-64)89-54)98-50-27(57-15(3)69)44(30(74)19(7-61)85-50)95-51-37(81)36(80)29(73)18(6-60)86-51/h4,16-54,59-66,70-84H,5-12H2,1-3H3,(H,55,67)(H,56,68)(H,57,69)/t16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43?,44+,45-,46-,47-,48-,49-,50-,51-,52-,53?,54-/m0/s1",JUJZVMYPNJNART,ZPNUIHFXSA,N,p-Lacto-N-octaose,JUJZVMYPNJNART-ZPNUIHFXSA-N
HMDB06692,924.307044596,C34H56N2O27,[H][C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@@H](O)C(O)O[C@@H]1CO,"InChI=1S/C34H56N2O27/c1-9(41)35-17-11(43)3-33(31(53)54,61-26(17)19(46)13(45)5-37)60-15(7-39)21(48)27-18(36-10(2)42)12(44)4-34(62-27,32(55)56)63-28-20(47)14(6-38)58-30(24(28)51)59-25-16(8-40)57-29(52)23(50)22(25)49/h11-30,37-40,43-52H,3-8H2,1-2H3,(H,35,41)(H,36,42)(H,53,54)(H,55,56)/t11-,12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+,28-,29?,30-,33+,34-/m0/s1",IESOVNOGVZBLMG,MTEFBGAJSA,N,Disialyllactose,IESOVNOGVZBLMG-MTEFBGAJSA-N
HMDB06694,1364.496421084,C52H88N2O39,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C52H88N2O39/c1-11-23(62)28(67)34(73)48(80-11)89-41-19(9-59)86-47(22(54-14(4)61)43(41)92-51-37(76)31(70)26(65)16(6-56)84-51)93-44-27(66)20(87-52(38(44)77)88-39-17(7-57)82-45(78)33(72)32(39)71)10-79-46-21(53-13(3)60)42(91-49-35(74)29(68)24(63)12(2)81-49)40(18(8-58)85-46)90-50-36(75)30(69)25(64)15(5-55)83-50/h11-12,15-52,55-59,62-78H,5-10H2,1-4H3,(H,53,60)(H,54,61)/t11-,12-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45?,46-,47+,48-,49-,50+,51+,52+/m1/s1",SUSQQDGHFAOUBW,PVLJGHBYSA,N,Difucosyllacto-N-hexaose,SUSQQDGHFAOUBW-PVLJGHBYSA-N
HMDB06695,228.11100701,C10H16N2O4,O[C@@H]1C[C@H](N(C1)C(=O)[C@@H]1CCCN1)C(O)=O,"InChI=1S/C10H16N2O4/c13-6-4-8(10(15)16)12(5-6)9(14)7-2-1-3-11-7/h6-8,11,13H,1-5H2,(H,15,16)/t6-,7+,8+/m1/s1",ONPXCLZMBSJLSP,CSMHCCOUSA,N,Prolylhydroxyproline,ONPXCLZMBSJLSP-CSMHCCOUSA-N
HMDB06696,853.306316315,C32H55NO25,C[C@H]1O[C@H](O[C@@H]2C(NC(C)=O)[C@H](O[C@H]3C(O)C(CO)O[C@@H](OC(C(O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)O[C@H](CO)C2O[C@@H]2OC(CO)C(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@H]1O,"InChI=1S/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)57-27-15(33-9(2)39)29(54-14(7-38)26(27)56-31-23(49)21(47)18(44)12(5-36)52-31)58-28-19(45)13(6-37)53-32(24(28)50)55-25(11(41)4-35)17(43)10(40)3-34/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10+,11?,12?,13?,14-,15?,16+,17-,18?,19?,20+,21?,22?,23-,24-,25?,26?,27-,28+,29+,30-,31+,32+/m1/s1",WMYQZGAEYLPOSX,JOEMMLBASA,N,Lex-lactose,WMYQZGAEYLPOSX-JOEMMLBASA-N
HMDB06698,627.248682279,C24H41N3O16,CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO,"InChI=1S/C24H41N3O16/c1-8(32)25-11(4-28)17(36)21(12(35)5-29)42-24-16(27-10(3)34)20(39)22(14(7-31)41-24)43-23-15(26-9(2)33)19(38)18(37)13(6-30)40-23/h4,11-24,29-31,35-39H,5-7H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-/m0/s1",LRDDKCYRFNJZBX,WHFMPQCRSA,N,Tri-N-acetylchitotriose,LRDDKCYRFNJZBX-WHFMPQCRSA-N
HMDB06699,707.248407507,C26H45NO21,CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)[C@H](O)CO,"InChI=1S/C26H45NO21/c1-7(33)27-8(2-28)13(35)21(9(34)3-29)46-25-20(42)22(16(38)12(6-32)44-25)47-26-23(18(40)15(37)11(5-31)45-26)48-24-19(41)17(39)14(36)10(4-30)43-24/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22-,23?,24+,25-,26+/m0/s1",POROYQINIQHUGJ,APJJTYCFSA,N,Alpha-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp,POROYQINIQHUGJ-APJJTYCFSA-N
HMDB06700,367.147846025,C14H25NO10,C[C@@H]1O[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C14H25NO10/c1-5-9(20)11(22)12(23)14(24-5)25-13(10(21)8(19)4-17)7(3-16)15-6(2)18/h3,5,7-14,17,19-23H,4H2,1-2H3,(H,15,18)/t5-,7-,8+,9+,10+,11+,12-,13+,14-/m0/s1",YDWJUIXDZSJZHH,MYCHVAHWSA,N,3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose,YDWJUIXDZSJZHH-MYCHVAHWSA-N
HMDB06701,326.121296924,C12H22O10,CC1O[C@@H](OC([C@@H](O)C=O)[C@H](O)C(O)CO)[C@@H](O)C(O)C1O,"InChI=1S/C12H22O10/c1-4-7(17)9(19)10(20)12(21-4)22-11(6(16)3-14)8(18)5(15)2-13/h3-13,15-20H,2H2,1H3/t4?,5?,6-,7?,8+,9?,10-,11?,12-/m0/s1",WFLGVJKIXANXQV,CJVZSHCUSA,N,3-O-a-L-Fucopyranosyl-D-glucose,WFLGVJKIXANXQV-CJVZSHCUSA-N
HMDB06705,853.306316315,C32H55NO25,C[C@@H]1O[C@@H](OC2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2OC2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C32H55NO25/c1-8-16(42)21(47)23(49)30(51-8)58-28-22(48)18(44)12(5-36)54-32(28)56-26-15(33-9(2)39)29(52-13(6-37)19(26)45)57-27-20(46)14(7-38)53-31(24(27)50)55-25(11(41)4-35)17(43)10(40)3-34/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+,26?,27-,28?,29-,30-,31-,32-/m0/s1",DTVXXTISAIGIBA,GZPGEGJMSA,N,Lacto-n-fucopentaose I,DTVXXTISAIGIBA-GZPGEGJMSA-N
HMDB06706,853.306316315,C32H55NO25,C[C@@H]1O[C@@H](OC([C@@H](O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC3O[C@H](CO)[C@@H](O)C(OC4O[C@H](CO)C(O)C(O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)C(O)CO)[C@@H](O)C(O)C1O,"InChI=1S/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)55-25(10(40)3-34)26(11(41)4-35)56-32-24(50)28(19(45)14(7-38)54-32)58-29-15(33-9(2)39)27(18(44)13(6-37)52-29)57-31-23(49)21(47)17(43)12(5-36)53-31/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10-,11?,12+,13+,14+,15+,16?,17?,18+,19-,20?,21?,22-,23+,24+,25?,26+,27?,28-,29?,30-,31?,32-/m0/s1",TVVLIFCVJJSLBL,SEHWTJTBSA,N,Lacto-N-fucopentaose V,TVVLIFCVJJSLBL-SEHWTJTBSA-N
HMDB06707,794.621311112,C54H82O4,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,"InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+",UUGXJSBPSRROMU,WJNLUYJISA,N,Coenzyme Q9,UUGXJSBPSRROMU-WJNLUYJISA-N
HMDB06709,318.18310932,C19H26O4,COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O,"InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+",SQQWBSBBCSFQGC,JLHYYAGUSA,N,Ubiquinone-2,SQQWBSBBCSFQGC-JLHYYAGUSA-N
HMDB06710,454.308309832,C29H42O4,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,"InChI=1S/C29H42O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-25-24(6)26(30)28(32-7)29(33-8)27(25)31/h12,14,16,18H,9-11,13,15,17,19H2,1-8H3/b21-14+,22-16+,23-18+",XGCJRRDNIMSYNC,INVBOZNNSA,N,Ubiquinone-4,XGCJRRDNIMSYNC-INVBOZNNSA-N
HMDB06719,384.33921603,C27H44O,CC(C)CCC[C@@H](C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+/t21-,24+,25-,26?,27-/m1/s1",QYSXJUFSXHHAJI,YYJGPZIQSA,N,"5,6-trans-Vitamin D3",QYSXJUFSXHHAJI-YYJGPZIQSA-N
HMDB06720,416.329045274,C27H44O3,OC(C[C@@H](C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C)CC(O)(C)C,"InChI=1S/C27H44O3/c1-18-8-11-22(28)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22-,23?,24-,25?,27-/m1/s1",JVBPQHSRTHJMLM,UXHBOMOISA,N,"23S,25-dihydroxyvitamin D3",JVBPQHSRTHJMLM-UXHBOMOISA-N
HMDB06721,400.334130652,C27H44O2,C[C@H](CCCC(O)(C)C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C/C=C1\C[C@H](O)CCC1=C,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11-,22-12+/t20-,23-,24-,25?,27-/m1/s1",JWUBBDSIWDLEOM,ZMHTYULMSA,N,"5,6-trans-25-Hydroxyvitamin D3",JWUBBDSIWDLEOM-ZMHTYULMSA-N
HMDB06722,400.334130652,C27H44O2,C[C@H](CCCC(C)(C)O)[C@H]1CCC2([H])C(=CCC[C@]12C)\C=C\C1=C(C)CCCC1O,"InChI=1S/C27H44O2/c1-19-9-6-12-25(28)22(19)14-13-21-11-8-18-27(5)23(15-16-24(21)27)20(2)10-7-17-26(3,4)29/h11,13-14,20,23-25,28-29H,6-10,12,15-18H2,1-5H3/b14-13+/t20-,23-,24?,25?,27-/m1/s1",REBCKWLPJGCBRY,GYDNJJFKSA,N,25-Hydroxytachysterol3,REBCKWLPJGCBRY-GYDNJJFKSA-N
HMDB06725,596.553231548,C41H72O2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCC)[C@H](C)CCCC(C)C,"InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1",SJDMTGSQPOFVLR,ZPQCIJQQSA,N,CE(14:0),SJDMTGSQPOFVLR-ZPQCIJQQSA-N
HMDB06726,672.584531676,C47H76O2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1,"InChI=1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1",IMXSFYNMSOULQS,BEDFLICRSA,N,"CE(20:4(5Z,8Z,11Z,14Z)",IMXSFYNMSOULQS-BEDFLICRSA-N
HMDB06727,708.67843206,C49H88O2,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C49H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h30,39-40,42-46H,7-29,31-38H2,1-6H3/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1",WBOQXYUYHINMOC,KNEWWSHNSA,N,CE(22:0),WBOQXYUYHINMOC-KNEWWSHNSA-N
HMDB06728,734.694082124,C51H90O2,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1,"InChI=1S/C51H90O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-49(52)53-44-36-38-50(5)43(40-44)32-33-45-47-35-34-46(42(4)30-28-29-41(2)3)51(47,6)39-37-48(45)50/h14-15,32,41-42,44-48H,7-13,16-31,33-40H2,1-6H3/b15-14-/t42-,44+,45+,46-,47+,48+,50+,51-/m1/s1",PUKCXSHDVCMMAN,FYGHJIOESA,N,CE(24:1(15Z)),PUKCXSHDVCMMAN-FYGHJIOESA-N
HMDB06729,700.615831804,C49H80O2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1,"InChI=1S/C49H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,17-18,20-21,30,39-40,42-46H,7-10,13,16,19,22-29,31-38H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1",ITGTXSFLBABXQA,BMURBKCOSA,N,"CE(22:4(7Z,10Z,13Z,16Z)",ITGTXSFLBABXQA-BMURBKCOSA-N
HMDB06730,609.239454997,C25H35N7O11,C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O,"InChI=1S/C25H35N7O11/c1-11(21(38)32-17(25(42)43)10-20(36)37)29-23(40)16(9-19(28)35)31-24(41)15(8-12-2-4-13(33)5-3-12)30-22(39)14(26)6-7-18(27)34/h2-5,11,14-17,33H,6-10,26H2,1H3,(H2,27,34)(H2,28,35)(H,29,40)(H,30,39)(H,31,41)(H,32,38)(H,36,37)(H,42,43)/t11-,14-,15-,16-,17-/m0/s1",WKBAPRRMZYHPNB,BXBUPLCLSA,N,QYNAD,WKBAPRRMZYHPNB-BXBUPLCLSA-N
HMDB06731,670.568881612,C47H74O2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C47H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,20-21,28,37-38,40-44H,7,10,13,16,19,22-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1",XZFUGMCJZFRBKF,JIKDAPOUSA,N,"CE(20:5(5Z,8Z,11Z,14Z,17Z)",XZFUGMCJZFRBKF-JIKDAPOUSA-N
HMDB06733,696.584531676,C49H76O2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C49H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7,10,13,16,19,22,25-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1",VOEVEGPMRIYYKC,IWVSHIRDSA,N,"CE(22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VOEVEGPMRIYYKC-IWVSHIRDSA-N
HMDB06734,676.615831804,C47H80O2,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C47H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,28,37-38,40-44H,7-10,13,16-27,29-36H2,1-6H3/b12-11-,15-14-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1",REFJKOQDWJELKE,NJJZEKHRSA,N,"CE(20:2(6Z,9Z))",REFJKOQDWJELKE-NJJZEKHRSA-N
HMDB06736,674.60018174,C47H78O2,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1,"InChI=1S/C47H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,28,37-38,40-44H,7-10,13,16,19-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1",MLPRJPSMAFZPLA,PJSAOELNSA,N,"CE(20:3(8Z,11Z,14Z))",MLPRJPSMAFZPLA-PJSAOELNSA-N
HMDB06737,704.647131932,C49H84O2,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C49H84O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,30,39-40,42-46H,7-10,13,16-29,31-38H2,1-6H3/b12-11-,15-14-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1",YSGVSTJGBYXXIM,OVUVNFMNSA,N,"CE(22:2(13Z,16Z))",YSGVSTJGBYXXIM-OVUVNFMNSA-N
HMDB06738,666.631481868,C46H82O2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C,"InChI=1S/C46H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-44(47)48-39-31-33-45(5)38(35-39)27-28-40-42-30-29-41(37(4)25-23-24-36(2)3)46(42,6)34-32-43(40)45/h27,36-37,39-43H,7-26,28-35H2,1-6H3/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1",VHYWECIJXTVRSG,TVDLSCFRSA,N,CE(19:0),VHYWECIJXTVRSG-TVDLSCFRSA-N
HMDB06740,680.647131932,C47H84O2,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C47H84O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h28,37-38,40-44H,7-27,29-36H2,1-6H3/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1",SUOVMGLZSOAHJY,YEYBIBAWSA,N,CE(20:0),SUOVMGLZSOAHJY-YEYBIBAWSA-N
HMDB06744,527.076661754,C16H25N4O10P2S,CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC(C(O)CCC(O)=O)=[N+]1CC1=C(N)N=C(C)N=C1,"InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,21H,3-6,8H2,1-2H3,(H5-,17,18,19,22,23,24,25,26,27,28)/p+1",ZWUKRGPVMMTMAF,UHFFFAOYSA,O,3-Carboxy-1-hydroxypropylthiamine diphosphate,ZWUKRGPVMMTMAF-UHFFFAOYSA-O
HMDB06750,861.617741875,C46H87NO13,[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34-,35+,36+,37+,39-,40-,41+,42+,43+,44+,45+,46-/m0/s1",HLIJNIKSBCIDGO,QKLMXXKVSA,N,Lactosylceramide (d18:1/16:0),HLIJNIKSBCIDGO-QKLMXXKVSA-N
HMDB06752,329.292994119,C19H39NO3,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC=O,"InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)18(16-21)20-17-22/h17-19,21,23H,2-16H2,1H3,(H,20,22)/t18-,19+/m0/s1",XSDVOEIEBUGRQX,RBUKOAKNSA,N,Dihydroceramide,XSDVOEIEBUGRQX-RBUKOAKNSA-N
HMDB06753,364.224974134,C21H32O5,CC12CC[C@@H](O)CC1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O,"InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12?,13-,14?,15?,16?,17?,19?,20?,21?/m1/s1",YWTDWORQGPLRLL,NDCWLUSSSA,N,"3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al",YWTDWORQGPLRLL-NDCWLUSSSA-N
HMDB06754,364.224974134,C21H32O5,[H][C@@]12CCC(C(=O)CO)C1(CC(O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C)C=O,"InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12-,13-,14+,15+,16?,17?,19-,20+,21?/m1/s1",YWTDWORQGPLRLL,SXWUTGHTSA,N,"11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al",YWTDWORQGPLRLL-SXWUTGHTSA-N
HMDB06755,348.230059512,C21H32O4,[H][C@@]12CCC(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13-,14+,15+,16?,19-,20+,21+/m1/s1",XWYBFXIUISNTQG,XPYNSANSSA,N,"3a,21-Dihydroxy-5b-pregnane-11,20-dione",XWYBFXIUISNTQG-XPYNSANSSA-N
HMDB06756,346.214409448,C21H30O4,[H][C@@]12CCC(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3/t12-,14+,15+,16?,19-,20+,21+/m1/s1",ZDUVZJUTJOBJHS,HNEBDTNWSA,N,"21-Hydroxy-5b-pregnane-3,11,20-trione",ZDUVZJUTJOBJHS-HNEBDTNWSA-N
HMDB06757,348.230059512,C21H32O4,[H][C@@]12CCC(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-17,19,22,24H,3-11H2,1-2H3/t12-,14+,15+,16?,17+,19-,20+,21+/m1/s1",CTTOFMJLOGMZRN,MGXYISIMSA,N,"11b,21-Dihydroxy-5b-pregnane-3,20-dione",CTTOFMJLOGMZRN-MGXYISIMSA-N
HMDB06758,362.20932407,C21H30O5,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1",YCLWEYIBFOLMEM,FNLRALKVSA,N,"17a,21-Dihydroxy-5b-pregnane-3,11,20-trione",YCLWEYIBFOLMEM-FNLRALKVSA-N
HMDB06759,318.255880332,C21H34O2,[H][C@]12CCC3C4CC[C@H](C(C)=O)[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](O)C2,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16?,17-,18?,19?,20+,21-/m1/s1",AURFZBICLPNKBZ,KCZNCWLVSA,N,3a-Hydroxy-5b-pregnane-20-one,AURFZBICLPNKBZ-KCZNCWLVSA-N
HMDB06760,364.224974134,C21H32O5,CC12CC(O)C3C(CC=C4CC(O)CCC34C)C1CC[C@]2(O)C(=O)CO,"InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13?,14?,15?,16?,18?,19?,20?,21-/m0/s1",HAFVWTUQBYRPOB,QGGNSXJXSA,N,"11b,17a,21-Trihydroxypreg-nenolone",HAFVWTUQBYRPOB-QGGNSXJXSA-N
HMDB06762,348.230059512,C21H32O4,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1",JNHJGXQUDOYJAK,IYRCEVNGSA,N,"17a,21-Dihydroxypreg-nenolone",JNHJGXQUDOYJAK-IYRCEVNGSA-N
HMDB06763,418.344695338,C27H46O3,[H][C@@]12CC[C@]([H])([C@@](C)(O)[C@H](O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(O)CC[C@]12C,"InChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19?,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1",ISBSSBGEYIBVTO,IVMOZYHGSA,N,"20a,22b-Dihydroxycholesterol",ISBSSBGEYIBVTO-IVMOZYHGSA-N
HMDB06764,418.344695338,C27H46O3,[H]C12CC[C@](O)([C@](C)(O)CCCC(C)C)[C@@]1(C)CCC1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C27H46O3/c1-18(2)7-6-13-26(5,29)27(30)16-12-23-21-9-8-19-17-20(28)10-14-24(19,3)22(21)11-15-25(23,27)4/h8,18,20-23,28-30H,6-7,9-17H2,1-5H3/t20-,21+,22?,23?,24-,25-,26+,27+/m0/s1",PRZXKPDANWDCNC,IMVKCWHASA,N,"17a,20a-Dihydroxycholesterol",PRZXKPDANWDCNC-IMVKCWHASA-N
HMDB06765,478.220282686,C25H34O9,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3C2=C1,"InChI=1S/C25H34O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,18-22,24,26-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,18-,19-,20-,21+,22-,24+,25-/m0/s1",LLCPFVIBUZJITJ,GVEMAFOVSA,N,2-Methoxy-estradiol-17b 3-glucuronide,LLCPFVIBUZJITJ-GVEMAFOVSA-N
HMDB06766,464.204632622,C24H32O9,C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@@H]2O,"InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1",FQYGGFDZJFIDPU,JRSYHJKYSA,N,Estriol-16-Glucuronide,FQYGGFDZJFIDPU-JRSYHJKYSA-N
HMDB06768,300.172544634,C19H24O3,[H]C12CCC(=O)[C@@]1(C)CCC1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C=O,"InChI=1S/C19H24O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-16H,2-9H2,1H3/t14-,15?,16?,18-,19+/m0/s1",XRCFMDPVHKVRDJ,NHMXRCTMSA,N,"19-Oxoandrost-4-ene-3,17-dione",XRCFMDPVHKVRDJ-NHMXRCTMSA-N
HMDB06769,304.203844762,C19H28O3,[H]C12CC[C@H](O)[C@@]1(C)CCC1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12CO,"InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15?,16?,17-,18-,19+/m0/s1",YLTCTXBDDHSLCS,HRCCTRRKSA,N,19-Hydroxytestosterone,YLTCTXBDDHSLCS-HRCCTRRKSA-N
HMDB06770,290.224580204,C19H30O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1",NVKAWKQGWWIWPM,MISPCMORSA,N,5b-Dihydrotestosterone,NVKAWKQGWWIWPM-MISPCMORSA-N
HMDB06771,302.188194698,C19H26O3,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C,"InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17-,18-,19-/m0/s1",LFWLQMQUJQUZBD,TYHLISGHSA,N,"7a-Hydroxyandrost-4-ene-3,17-dione",LFWLQMQUJQUZBD-TYHLISGHSA-N
HMDB06772,300.172544634,C19H24O3,[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1",RZRPTBIGEANTGU,IRIMSJTPSA,N,Adrenosterone,RZRPTBIGEANTGU-IRIMSJTPSA-N
HMDB06773,302.188194698,C19H26O3,[H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1",WSCUHXPGYUMQEX,KCZNZURUSA,N,"11b-Hydroxyandrost-4-ene-3,17-dione",WSCUHXPGYUMQEX-KCZNZURUSA-N
HMDB06774,302.188194698,C19H26O3,[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-16,21H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1",SSBCZTXGVMMZOT,NBBHSKLNSA,N,"16a-Hydroxyandrost-4-ene-3,17-dione",SSBCZTXGVMMZOT-NBBHSKLNSA-N
HMDB06779,147.032028409,C8H5NO2,O=C1C=C2NC=CC2=CC1=O,"InChI=1S/C8H5NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9H",IGGVVGHJSQSLFO,UHFFFAOYSA,N,"Indole-5,6-quinone",IGGVVGHJSQSLFO-UHFFFAOYSA-N
HMDB06789,422.082541956,C12H23O14P,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1",ITPHOIFCAFNCLL,QKKXKWKRSA,N,Lactose 6-phosphate,ITPHOIFCAFNCLL-QKKXKWKRSA-N
HMDB06790,254.100167552,C9H18O8,OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4?,5-,6+,7+,8-,9-/m1/s1",NHJUPBDCSOGIKX,VGPGGAHRSA,N,Galactosylglycerol,NHJUPBDCSOGIKX-VGPGGAHRSA-N
HMDB06791,344.13186161,C12H24O11,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H24O11/c13-1-4(14)7(16)8(17)5(15)2-22-3-6-9(18)10(19)11(20)12(21)23-6/h4-21H,1-3H2/t4-,5+,6-,7-,8-,9+,10+,11-,12+/m1/s1",PYZZIILDSAJNLZ,QZNPSGCDSA,N,Melibiitol,PYZZIILDSAJNLZ-QZNPSGCDSA-N
HMDB06792,342.116211546,C12H22O11,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6+,7+,8+,9-,10+,11+,12+/m1/s1",DLRVVLDZNNYCBX,OVEBFGLASA,N,Epimelibiose,DLRVVLDZNNYCBX-OVEBFGLASA-N
HMDB06794,227.042987025,C9H9NO6,OC(=O)CCC1C(O)=CC(=NC1=O)C(O)=O,"InChI=1S/C9H9NO6/c11-6-3-5(9(15)16)10-8(14)4(6)1-2-7(12)13/h3-4,11H,1-2H2,(H,12,13)(H,15,16)",PAKGMMKOUIXEKV,UHFFFAOYSA,N,"5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate",PAKGMMKOUIXEKV-UHFFFAOYSA-N
HMDB06796,789.993829206,C18H26N4O23P4,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O,"InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1",NMLMACJWHPHKGR,NCOIDOBVSA,N,"P1,P4-Bis(5'-uridyl) tetraphosphate",NMLMACJWHPHKGR-NCOIDOBVSA-N
HMDB06797,260.029718526,C6H13O9P,OC[C@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5+,6+/m0/s1",ZKLLSNQJRLJIGT,OTWZMJIISA,N,Sorbose 1-phosphate,ZKLLSNQJRLJIGT-OTWZMJIISA-N
HMDB06798,1638.538798986,C60H102O51,OC[C@H]1OC(O[C@H]2[C@H](O)[C@H](O)C(O[C@H]3[C@H](O)[C@H](O)C(O[C@H]4[C@H](O)[C@H](O)C(O[C@H]5[C@H](O)[C@H](O)C(O[C@H]6[C@H](O)[C@H](O)C(O[C@H]7[C@H](O)[C@H](O)C(O[C@H]8[C@H](O)[C@H](O)C(O[C@H]9[C@H](O)[C@H](O)C(O[C@H]%10[C@H](O)[C@H](O)C(O)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C60H102O51/c61-1-11-21(71)22(72)33(83)52(94-11)104-43-13(3-63)96-54(35(85)24(43)74)106-45-15(5-65)98-56(37(87)26(45)76)108-47-17(7-67)100-58(39(89)28(47)78)110-49-19(9-69)102-60(41(91)30(49)80)111-50-20(10-70)101-59(40(90)31(50)81)109-48-18(8-68)99-57(38(88)29(48)79)107-46-16(6-66)97-55(36(86)27(46)77)105-44-14(4-64)95-53(34(84)25(44)75)103-42-12(2-62)93-51(92)32(82)23(42)73/h11-92H,1-10H2/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?/m1/s1",RJQKKZNUWRIHCS,YDPWGIMBSA,N,"1,4-b-D-Mannan",RJQKKZNUWRIHCS-YDPWGIMBSA-N
HMDB06800,260.029718526,C6H13O9P,OC[C@H]1O[C@@](CO)(OP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-1-3-4(9)5(10)6(2-8,14-3)15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6+/m1/s1",PMTUDJVZIGZBIX,ZXXMMSQZSA,N,Beta-D-Fructose 2-phosphate,PMTUDJVZIGZBIX-ZXXMMSQZSA-N
HMDB06801,213.987853712,C4H7O8P,O[C@H](COP(O)(O)=O)C(=O)C(O)=O,"InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/m1/s1",MZJFVXDTNBHTKZ,UWTATZPHSA,N,2-Oxo-3-hydroxy-4-phosphobutanoic acid,MZJFVXDTNBHTKZ-UWTATZPHSA-N
HMDB06802,215.019488191,C4H10NO7P,N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O,"InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1",FKHAKIJOKDGEII,GBXIJSLDSA,N,O-Phospho-4-hydroxy-L-threonine,FKHAKIJOKDGEII-GBXIJSLDSA-N
HMDB06803,54.010564686,C3H2O,O=CC#C,"InChI=1S/C3H2O/c1-2-3-4/h1,3H",IJNJLGFTSIAHEA,UHFFFAOYSA,N,2-Propyn-1-al,IJNJLGFTSIAHEA-UHFFFAOYSA-N
HMDB06804,70.005479308,C3H2O2,OC(=O)C#C,"InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)",UORVCLMRJXCDCP,UHFFFAOYSA,N,Propynoic acid,UORVCLMRJXCDCP-UHFFFAOYSA-N
HMDB06805,838.152322152,C24H41N8O17P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CCN,"InChI=1S/C24H41N8O17P3S/c1-24(2,19(36)22(37)28-6-4-14(33)27-7-8-53-15(34)3-5-25)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)32-12-31-16-20(26)29-11-30-21(16)32/h11-13,17-19,23,35-36H,3-10,25H2,1-2H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1",RUWSXZUPLIXLGD,UXYNFSPESA,N,Beta-Alanyl-CoA,RUWSXZUPLIXLGD-UXYNFSPESA-N
HMDB06806,403.089299089,C13H18N5O8P,CCC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C13H18N5O8P/c1-2-7(19)26-27(22,23)24-3-6-9(20)10(21)13(25-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H,22,23)(H2,14,15,16)/t6-,9-,10-,13-/m1/s1",ZGNGGJLVZZHLQM,ZRFIDHNTSA,N,Propinol adenylate,ZGNGGJLVZZHLQM-ZRFIDHNTSA-N
HMDB06807,839.136337737,C24H40N7O18P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CCO,"InChI=1S/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1",BERBFZCUSMQABM,UXYNFSPESA,N,3-Hydroxypropionyl-CoA,BERBFZCUSMQABM-UXYNFSPESA-N
HMDB06809,256.082112185,C11H14NO6,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[N+]1=CC(=CC=C1)C(O)=O,"InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/p+1/t7-,8-,9-,10-/m1/s1",PUEDDPCUCPRQNY,ZYUZMQFOSA,O,Nicotinate D-ribonucleoside,PUEDDPCUCPRQNY-ZYUZMQFOSA-O
HMDB06814,260.029718526,C6H13O9P,OC1[C@H](O)[C@H](O)C(OP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m0/s1",INAPMGSXUVUWAF,LXOASSSBSA,N,1D-myo-Inositol 3-phosphate,INAPMGSXUVUWAF-LXOASSSBSA-N
HMDB06816,546.407295594,C37H54O3,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=CC=C1O)C(O)=O,"InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+",LKMQQQABIGIHGL,LAAQXVIISA,N,3-Hexaprenyl-4-hydroxybenzoic acid,LKMQQQABIGIHGL-LAAQXVIISA-N
HMDB06817,532.428031036,C37H56O2,COC1=CC=CC(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C1O,"InChI=1S/C37H56O2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)27-28-35-25-14-26-36(39-8)37(35)38/h14-15,17,19,21,23,25-27,38H,9-13,16,18,20,22,24,28H2,1-8H3/b30-17+,31-19+,32-21+,33-23+,34-27+",WVPRAWNIVDFQBO,DUBIXASGSA,N,2-Hexaprenyl-6-methoxyphenol,WVPRAWNIVDFQBO-DUBIXASGSA-N
HMDB06818,546.407295594,C37H54O3,COC1=CC(=O)C=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O,"InChI=1S/C37H54O3/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38)27-36(40-8)37(34)39/h14,16,18,20,22,24,26-27H,9-13,15,17,19,21,23,25H2,1-8H3/b29-16+,30-18+,31-20+,32-22+,33-24+",SCPRZSDIZDIQOW,FRICUITQSA,N,"2-Hexaprenyl-6-methoxy-1,4-benzoquinone",SCPRZSDIZDIQOW-FRICUITQSA-N
HMDB06819,560.422945658,C38H56O3,COC1=CC(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O,"InChI=1S/C38H56O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+",RLVSEUWSBSQQOE,NSUIJKAQSA,N,"2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone",RLVSEUWSBSQQOE-NSUIJKAQSA-N
HMDB06820,576.41786028,C38H56O4,COC1=C(O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C(=O)C1=O,"InChI=1S/C38H56O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,40H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17+,29-19+,30-21+,31-23+,32-25+",IALHZQNPELKEGE,HGJBZHBGSA,N,"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone",IALHZQNPELKEGE-HGJBZHBGSA-N
HMDB06821,513.006309845,C9H18N5O14P3,NC1=NC(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)=C(N)C(=O)N1,"InChI=1S/C9H18N5O14P3/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(26-8)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2,4-5,8,15-16H,1,10H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,11,12,13,14,17)/t2-,4-,5-,8-/m1/s1",CRXOALRUOMUPMC,UMMCILCDSA,N,"2,5-Diaminopyrimidine nucleoside triphosphate",CRXOALRUOMUPMC-UMMCILCDSA-N
HMDB06822,541.001224467,C10H18N5O15P3,NC1=NC(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)=C(NC=O)C(=O)N1,"InChI=1S/C10H18N5O15P3/c11-10-14-7(4(12-2-16)8(19)15-10)13-9-6(18)5(17)3(28-9)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,12,16)(H,23,24)(H,25,26)(H2,20,21,22)(H4,11,13,14,15,19)/t3-,5-,6-,9-/m1/s1",NDXMRXXKCCKQQV,UUOKFMHZSA,N,Formamidopyrimidine nucleoside triphosphate,NDXMRXXKCCKQQV-UUOKFMHZSA-N
HMDB06823,513.006309845,C9H18N5O14P3,NC1=NC(=O)C(N)=C(NCC(=O)C(O)C(O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1,"InChI=1S/C9H18N5O14P3/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,6,16-17H,1-2,10H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,13,14,18)",ZJYBJXKSWQPKFW,UHFFFAOYSA,N,"2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine",ZJYBJXKSWQPKFW-UHFFFAOYSA-N
HMDB06824,335.063084339,C9H14N5O7P,NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)COP(O)(O)=O)C(=O)N1,"InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1",PLSQMGZYOGSOCE,XINAWCOVSA,N,Dihydroneopterin phosphate,PLSQMGZYOGSOCE-XINAWCOVSA-N
HMDB06825,574.213574598,C24H30N8O9,NC1=NC2=C(NC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)CN2)C(=O)N1,"InChI=1S/C24H30N8O9/c25-24-31-19-18(21(37)32-24)28-13(10-27-19)9-26-12-3-1-11(2-4-12)20(36)30-15(23(40)41)5-7-16(33)29-14(22(38)39)6-8-17(34)35/h1-4,13-15,26,28H,5-10H2,(H,29,33)(H,30,36)(H,34,35)(H,38,39)(H,40,41)(H4,25,27,31,32,37)",ZAOGJXDWOQXFBW,UHFFFAOYSA,N,Tetrahydrofolyl-[Glu](2),ZAOGJXDWOQXFBW-UHFFFAOYSA-N
HMDB06826,703.256167693,C29H37N9O12,NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2)N1,"InChI=1S/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)",RXWVHRYZTWZATH,UHFFFAOYSA,N,Tetrahydrofolyl-[Glu](n),RXWVHRYZTWZATH-UHFFFAOYSA-N
HMDB06831,145.110278729,C7H15NO2,C[N+](C)(C)CCCC([O-])=O,"InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3",JHPNVNIEXXLNTR,UHFFFAOYSA,N,3-Dehydroxycarnitine,JHPNVNIEXXLNTR-UHFFFAOYSA-N
HMDB06832,321.106849609,C13H23NO4S2,NC(=O)CCCCC(S)CCSC(=O)CCCC(O)=O,"InChI=1S/C13H23NO4S2/c14-11(15)5-2-1-4-10(19)8-9-20-13(18)7-3-6-12(16)17/h10,19H,1-9H2,(H2,14,15)(H,16,17)",PWTIHZUSTBSVGF,UHFFFAOYSA,N,S-Glutaryldihydrolipoamide,PWTIHZUSTBSVGF-UHFFFAOYSA-N
HMDB06833,132.042258744,C5H8O4,CC(=O)C(C)(O)C(O)=O,"InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)",NMDWGEGFJUBKLB,UHFFFAOYSA,N,2-Acetolactate,NMDWGEGFJUBKLB-UHFFFAOYSA-N
HMDB06834,322.119857136,C12H22N2O6S,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O,"InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1",QSYCTARXWYLMOF,CBAPKCEASA,N,D-Pantothenoyl-L-cysteine,QSYCTARXWYLMOF-CBAPKCEASA-N
HMDB06836,428.401816286,C30H52O,[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CCCC2(C)C,"InChI=1S/C30H52O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1",BFNSRKHIVITRJP,VJBYBJRLSA,N,Tetrahymanol,BFNSRKHIVITRJP-VJBYBJRLSA-N
HMDB06838,396.33921603,C28H44O,C[C@H](CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)C1CC3,"InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20?,22?,23?,24?,27-,28+/m1/s1",DBPZYKHQDWKORQ,JQDPPCHWSA,N,3-Keto-4-methylzymosterol,DBPZYKHQDWKORQ-JQDPPCHWSA-N
HMDB06839,428.401816286,C30H52O,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3,"InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1",MBZYKEVPFYHDOH,BQNIITSRSA,N,"24,25-Dihydrolanosterol",MBZYKEVPFYHDOH-BQNIITSRSA-N
HMDB06840,414.386166222,C29H50O,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3,"InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-20,22-23,25-26,30H,8-18H2,1-7H3/t20-,22-,23?,25+,26+,28-,29-/m1/s1",FYHRVINOXYETMN,HFPXORMNSA,N,"4,4-Dimethyl-5a-cholesta-8-en-3b-ol",FYHRVINOXYETMN-HFPXORMNSA-N
HMDB06841,386.354866094,C27H46O,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1([H])CC3,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1",QETLKNDKQOXZRP,XTGBIJOFSA,N,5a-Cholest-8-en-3b-ol,QETLKNDKQOXZRP-XTGBIJOFSA-N
HMDB06842,384.33921603,C27H44O,[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25?,26+,27-/m1/s1",PKEPPDGGTSZLBL,FZAJRYLSSA,N,"5a-Cholesta-7,24-dien-3b-ol",PKEPPDGGTSZLBL-FZAJRYLSSA-N
HMDB06845,412.370516158,C29H48O,[H][C@@](C)(CCC(=C)C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3,"InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,27+,28-,29+/m1/s1",QLDNWJOJCDIMKK,XLFBYWHPSA,N,4a-Methylfecosterol,QLDNWJOJCDIMKK-XLFBYWHPSA-N
HMDB06846,412.370516158,C29H48O,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=C)C(C)C,"InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,26+,27+,28-,29+/m1/s1",RSMKYRDCCSNYFM,AAGDOFLISA,N,24-Methylenelophenol,RSMKYRDCCSNYFM-AAGDOFLISA-N
HMDB06847,398.354866094,C28H46O,[H][C@@](C)(CCC(=C)C(C)C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,26?,27+,28-/m1/s1",BTCAEOLDEYPGGE,LPWCLQGBSA,N,Episterol,BTCAEOLDEYPGGE-LPWCLQGBSA-N
HMDB06848,396.33921603,C28H44O,[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=C)C(C)C,"InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1",ZEPNVCGPJXYABB,LOIOQLKMSA,N,5-Dehydroepisterol,ZEPNVCGPJXYABB-LOIOQLKMSA-N
HMDB06849,398.354866094,C28H46O,[H][C@@]1(CC[C@@]2([H])C3CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)CCC(=C)C(C)C,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22-,23?,24+,25-,26-,27-,28+/m0/s1",INDVLXYUCBVVKW,CPEKGPMFSA,N,24-Methylenecholesterol,INDVLXYUCBVVKW-CPEKGPMFSA-N
HMDB06851,412.370516166,C29H48O,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C(=C\C)C(C)C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1",MCWVPSBQQXUCTB,OQTIOYDCSA,N,Delta7-Avenasterol,MCWVPSBQQXUCTB-OQTIOYDCSA-N
HMDB06852,410.354866094,C29H46O,C\C=C(/C(C)C)CC[C@@H](C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3/b21-7-/t20-,23+,25?,26?,27?,28+,29-/m1/s1",XPRWWANUPMYKMF,UUHDPGOWSA,N,5-Dehydroavenasterol,XPRWWANUPMYKMF-UUHDPGOWSA-N
HMDB06853,68.02621475,C4H4O,O=CCC#C,"InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2",OGQNOIVDVXRWRE,UHFFFAOYSA,N,3-Butyn-1-al,OGQNOIVDVXRWRE-UHFFFAOYSA-N
HMDB06855,132.042258744,C5H8O4,CC(=O)[C@](C)(O)C(O)=O,"InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)/t5-/m0/s1",NMDWGEGFJUBKLB,YFKPBYRVSA,N,(S)-2-Acetolactate,NMDWGEGFJUBKLB-YFKPBYRVSA-N
HMDB06857,504.169034976,C18H32O16,OC[C@H]1OC(O[C@H]2[C@H](O)[C@@H](O)C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?/m1/s1",FYGDTMLNYKFZSV,MRCIVHHJSA,N,Dextrin,FYGDTMLNYKFZSV-MRCIVHHJSA-N
HMDB06865,511.118132638,C17H29N4O8P2S,CC(C)CC(O)C1=[N+](CC2=C(N)N=C(C)N=C2)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1,"InChI=1S/C17H28N4O8P2S/c1-10(2)7-14(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)15(32-17)5-6-28-31(26,27)29-30(23,24)25/h8,10,14,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1",OZAWOYZVNPQFFO,UHFFFAOYSA,O,3-Methyl-1-hydroxybutyl-ThPP,OZAWOYZVNPQFFO-UHFFFAOYSA-O
HMDB06866,497.102482574,C16H27N4O8P2S,CC(C)C(O)C1=[N+](CC2=C(N)N=C(C)N=C2)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1,"InChI=1S/C16H26N4O8P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(31-16)5-6-27-30(25,26)28-29(22,23)24/h7,9,14,21H,5-6,8H2,1-4H3,(H4-,17,18,19,22,23,24,25,26)/p+1",SSYCSHKTIOHFEZ,UHFFFAOYSA,O,2-Methyl-1-hydroxypropyl-ThPP,SSYCSHKTIOHFEZ-UHFFFAOYSA-O
HMDB06867,291.132670429,C13H25NO2S2,CC(C)CC(=O)SCCC(S)CCCCC(N)=O,"InChI=1S/C13H25NO2S2/c1-10(2)9-13(16)18-8-7-11(17)5-3-4-6-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)",KMUSXGCRMMQDBP,UHFFFAOYSA,N,S-(3-Methylbutanoyl)-dihydrolipoamide-E,KMUSXGCRMMQDBP-UHFFFAOYSA-N
HMDB06868,277.117020365,C12H23NO2S2,CC(C)C(=O)SCCC(S)CCCCC(N)=O,"InChI=1S/C12H23NO2S2/c1-9(2)12(15)17-8-7-10(16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,14)",UEFURMXXHJCLJP,UHFFFAOYSA,N,S-(2-Methylpropionyl)-dihydrolipoamide-E,UEFURMXXHJCLJP-UHFFFAOYSA-N
HMDB06869,291.132670429,C13H25NO2S2,CCC(C)C(=O)SCCC(S)CCCCC(N)=O,"InChI=1S/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)",UFNCWFSSEGPJNL,UHFFFAOYSA,N,S-(2-Methylbutanoyl)-dihydrolipoamide,UFNCWFSSEGPJNL-UHFFFAOYSA-N
HMDB06870,867.167637865,C26H44N7O18P3S,CC(C)(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20?,24-/m1/s1",PEVZKILCBDEOBT,XBTRWLRFSA,N,3-Hydroxyisovaleryl-CoA,PEVZKILCBDEOBT-XBTRWLRFSA-N
HMDB06872,339.996048936,C6H14O12P2,O[C@@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O,"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+,5+,6?/m1/s1",RNBGYGVWRKECFJ,OEXCPVAWSA,N,"D-Tagatose 1,6-bisphosphate",RNBGYGVWRKECFJ-OEXCPVAWSA-N
HMDB06873,260.029718526,C6H13O9P,OCC1(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6?/m1/s1",BGWGXPAPYGQALX,OEXCPVAWSA,N,D-Tagatose 6-phosphate,BGWGXPAPYGQALX-OEXCPVAWSA-N
HMDB06875,113.047678473,C5H7NO2,[O-]C(=O)C1=[NH+]CCC1,"InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)",RHTAIKJZSXNELN,UHFFFAOYSA,N,1-Pyrroline-2-carboxylic acid,RHTAIKJZSXNELN-UHFFFAOYSA-N
HMDB06876,564.075755818,C16H26N2O16P2,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O,"InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11-,12-,13+,15+/m0/s1",YSYKRGRSMLTJNL,OAOVJFGZSA,N,dTDP-D-galactose,YSYKRGRSMLTJNL-OAOVJFGZSA-N
HMDB06878,249.085720237,C10H19NO2S2,CC(=O)SCCC(S)CCCCC(N)=O,"InChI=1S/C10H19NO2S2/c1-8(12)15-7-6-9(14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)",WXCOTNFMLYTGPZ,UHFFFAOYSA,N,S-Acetyldihydrolipoamide-E,WXCOTNFMLYTGPZ-UHFFFAOYSA-N
HMDB06880,389.073649025,C12H16N5O8P,CC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1",UBPVOHPZRZIJHM,WOUKDFQISA,N,Acetyl adenylate,UBPVOHPZRZIJHM-WOUKDFQISA-N
HMDB06886,418.344695338,C27H46O3,[H][C@@]12CCC(C(C)CCCC(C)C)[C@@]1(C)C([H])(O)C[C@@]1([H])C2[C@H](O)CC2CC(=O)CC[C@]12C,"InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17?,18?,20?,21-,22-,23+,24+,25?,26-,27+/m0/s1",HHVQPBXBALLUDF,BNGOGRIJSA,N,"7a,12a-Dihydroxy-5a-cholestan-3-one",HHVQPBXBALLUDF-BNGOGRIJSA-N
HMDB06887,418.344695338,C27H46O3,[H][C@]12CCC(C(C)CCCC(C)C)[C@@]1(C)C([H])(O)C[C@@]1([H])C2[C@H](O)CC2CC(=O)CC[C@]12C,"InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17?,18?,20?,21-,22+,23-,24-,25?,26+,27-/m1/s1",HHVQPBXBALLUDF,JEUKKHAPSA,N,"7a,12a-Dihydroxy-5b-cholestan-3-one",HHVQPBXBALLUDF-JEUKKHAPSA-N
HMDB06888,532.306989202,C27H48O8S,CC(CCCC(CO)COS(O)(=O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@@H](O)[C@]12C,"InChI=1S/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34)/t16?,17?,18?,19-,20?,21?,22?,23-,24-,25?,26+,27-/m1/s1",KAOLEMQCYWHOJQ,UQACNIHJSA,N,5b-Cyprinol sulfate,KAOLEMQCYWHOJQ-UQACNIHJSA-N
HMDB06889,1197.423518197,C48H78N7O20P3S,CC(CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C1CCC2C3[C@H](O)C[C@]4([H])C[C@H](O)CCC4(C)C3C[C@H](O)C12C,"InChI=1S/C48H78N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h9,23-25,27-34,36,38-40,44,56-58,60-61H,7-8,10-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/b26-9+/t25?,27-,28+,29?,30?,31?,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1",QVDPWQVOSKJUES,WYOYJMLVSA,N,"3a,7a,12a-Trihydroxy-5b-cholest-24-enoyl-CoA",QVDPWQVOSKJUES-WYOYJMLVSA-N
HMDB06890,1215.434082883,C48H80N7O21P3S,[H][C@@]12C[C@H](O)CCC1(C)C1C[C@H](O)C3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C48H80N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-34,36,38-40,44,56-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24?,25?,26-,27+,28?,29?,30?,31?,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1",PXHZOQNODUPJKC,QVXJXFLKSA,N,"3a,7a,12a,24-Tetrahydroxy-5b-cholestanoyl-CoA",PXHZOQNODUPJKC-QVXJXFLKSA-N
HMDB06891,1213.418432819,C48H78N7O21P3S,[H][C@@]12CCC(C(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)N3C=NC4=C3N=CN=C4N)C1(C)[C@@H](O)C[C@@]1([H])C2[C@H](O)C[C@]2([H])C[C@H](O)CCC12C,"InChI=1S/C48H78N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-30,32-34,36,38-40,44,56,58-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24?,25?,26-,27+,28?,29-,30-,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1",AWLXQJGPNLCTLM,XFQWJXLTSA,N,"3a,7a,12a-Trihydroxy-5b-24-oxocholestanoyl-CoA",AWLXQJGPNLCTLM-XFQWJXLTSA-N
HMDB06892,402.349780716,C27H46O2,CC(C)CCCC(C)C1CCC2C3[C@@H](O)CC4CC(=O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-25,29H,6-16H2,1-5H3/t18?,19?,21?,22?,23?,24-,25?,26-,27+/m0/s1",HWOOALPDOJHOPO,SENDYOAPSA,N,7a-Hydroxy-5b-cholestan-3-one,HWOOALPDOJHOPO-SENDYOAPSA-N
HMDB06893,404.36543078,C27H48O2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1",APYVEUGLZHAHDJ,TVRYRFOISA,N,"3a,7a-Dihydroxy-5b-cholestane",APYVEUGLZHAHDJ-TVRYRFOISA-N
HMDB06894,418.344695338,C27H46O3,CC(CCCC(C)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C)C=O,"InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17?,18?,19?,20-,21?,22?,23?,24-,25?,26+,27-/m1/s1",YWGOKHMOJTZGBN,SBOSHUFNSA,N,"3a,7a-Dihydroxy-5b-cholestan-26-al",YWGOKHMOJTZGBN-SBOSHUFNSA-N
HMDB06895,1181.428603575,C48H78N7O19P3S,CC(CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C1CCC2C3[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C48H78N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h9,24-26,28-34,36,38-40,44,56-57,59-60H,7-8,10-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/b27-9+/t26?,28-,29+,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1",SEBZZAWTQNNGPK,YOKOLYSVSA,N,"3a,7a-Dihydroxy-5b-cholest-24-enoyl-CoA",SEBZZAWTQNNGPK-YOKOLYSVSA-N
HMDB06896,1197.423518197,C48H78N7O20P3S,[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C48H78N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-31,33-34,36,38-40,44,56,58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25?,26?,27-,28+,29?,30?,31?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1",QWTJBRPOHKIMDT,XWFLEUKDSA,N,"3a,7a-Dihydroxy-5b-24-oxocholestanoyl-CoA",QWTJBRPOHKIMDT-XWFLEUKDSA-N
HMDB06897,1141.397303447,C45H74N7O19P3S,[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24?,25-,26+,27?,28?,29?,30+,31+,34?,36+,37+,38?,42+,44-,45+/m0/s1",IIWDDMINEZBCTG,ILLDALFMSA,N,Chenodeoxyglycocholoyl-CoA,IIWDDMINEZBCTG-ILLDALFMSA-N
HMDB06898,449.314123491,C26H43NO5,CC(CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15?,16?,17-,18?,19?,20?,21-,24?,25+,26-/m1/s1",GHCZAUBVMUEKKP,AFQLCFGXSA,N,Chenodeoxyglycocholic acid,GHCZAUBVMUEKKP-AFQLCFGXSA-N
HMDB06899,146.069142196,C5H10N2O3,CC(N)C(=O)NCC(O)=O,"InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)",CXISPYVYMQWFLE,UHFFFAOYSA,N,Alanylglycine,CXISPYVYMQWFLE-UHFFFAOYSA-N
HMDB06900,146.057908808,C6H10O4,CC[C@](O)(C(C)=O)C(O)=O,"InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1",VUQLHQFKACOHNZ,LURJTMIESA,N,(S)-2-Aceto-2-hydroxybutanoic acid,VUQLHQFKACOHNZ-LURJTMIESA-N
HMDB06901,852.354927677,C49H56FeN4O6,CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(O)C1=C2C=C3C(C)=C(C=C)C4=[N]3[Fe++]35N6C(=C4)C(C)=C(CCC(O)=O)C6=CC4=[N]3C(=CC(N25)=C1C)C(C=O)=C4CCC(O)=O,"InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+4/p-2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;",RRJCKGQQRUXGQR,ONCSLILDSA,L,Heme A,RRJCKGQQRUXGQR-ONCSLILDSA-L
HMDB06902,989.489733529,C48H72CoN11O8,C[C@@H](O)CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])N([Co++])\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N,"InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+3/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1",FEESAGIUMZGLMF,JFYQDRLCSA,M,Cobinamide,FEESAGIUMZGLMF-JFYQDRLCSA-M
HMDB06903,1239.583747804,C58H84CoN16O11,C[C@@H](O)CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])N([Co++]CC3OC(C(O)C3O)N3C=NC4=C3N=CN=C4N)\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N,"InChI=1S/C48H73N11O8.C10H12N5O3.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+3/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;;/m1../s1",PAUPKJHCFVPREX,VUCSARQQSA,M,Adenosyl cobinamide,PAUPKJHCFVPREX-VUCSARQQSA-M
HMDB06904,936.36794664,C45H61CoN6O12,[Co]N1\C2=C(C)/C3=N/C(=C\C4=N\C(=C(C)/C5=NC([C@H](CC(O)=O)[C@@]5(C)CCC(O)=O)[C@@]1(C)[C@@](C)(CC(N)=O)[C@@H]2CCC(O)=O)\[C@@H](CCC(O)=O)C4(C)C)/[C@@H](CCC(O)=O)[C@]3(C)CC(N)=O,"InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+1/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;/m1./s1",NKLHEMWEQJCPPF,YYYLUSCNSA,M,"Cob(I)yrinate a,c diamide",NKLHEMWEQJCPPF-YYYLUSCNSA-M
HMDB06915,180.042258744,C9H8O4,OC(=O)C(\O)=C\C1=CC=C(O)C=C1,"InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-",GQYBCIHRWMPOOF,YVMONPNESA,N,2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid,GQYBCIHRWMPOOF-YVMONPNESA-N
HMDB06921,315.147058165,C18H21NO4,COC1=C(O)C=C2[C@H](CC3=CC(O)=C(O)C=C3)N(C)CCC2=C1,"InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/t14-/m0/s1",DAUPWJBRVZCBQB,AWEZNQCLSA,N,(S)-3-Hydroxy-N-methylcoclaurine,DAUPWJBRVZCBQB-AWEZNQCLSA-N
HMDB06927,442.344695338,C29H46O3,C[C@@H](CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(C1CC3)C(O)=O,"InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21?,22?,24?,25-,27+,28+,29-/m0/s1",MYWAIWDQTCHPTH,IUGQOUSLSA,N,4a-Methylzymosterol-4-carboxylic acid,MYWAIWDQTCHPTH-IUGQOUSLSA-N
HMDB06928,410.354866094,C29H46O,[H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C,"InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h13,18,20-21,23-24,27,30H,3,8-12,14-17H2,1-2,4-7H3/t20-,21+,23-,24+,27+,28-,29+/m1/s1",HLAWVOWADPNAGN,BAHZUFOISA,N,"Delta 8,14 -Sterol",HLAWVOWADPNAGN-BAHZUFOISA-N
HMDB06938,104.010958616,C3H4O4,OC(C=O)C(O)=O,"InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)",QWBAFPFNGRFSFB,UHFFFAOYSA,N,Tartronate semialdehyde,QWBAFPFNGRFSFB-UHFFFAOYSA-N
HMDB06940,312.230059512,C18H32O4,CCCCC\C=C/C=C/C(CCCCCCCC(O)=O)OO,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+",JGUNZIWGNMQSBM,ZJHFMPGASA,N,9(S)-HPODE,JGUNZIWGNMQSBM-ZJHFMPGASA-N
HMDB06941,490.121327498,C16H23N6O10P,N[C@@H](CCCC(=O)OP(O)(=O)OCC1OC([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O,"InChI=1S/C16H23N6O10P/c17-7(16(26)27)2-1-3-9(23)32-33(28,29)30-4-8-11(24)12(25)15(31-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,28,29)(H2,18,19,20)/t7-,8?,11+,12+,15?/m0/s1",POJWEBKSMOTPNS,ILUWSIKFSA,N,L-2-Aminoadipate adenylate,POJWEBKSMOTPNS-ILUWSIKFSA-N
HMDB06944,536.15886422,C18H32O18,OC[C@@H]1O[C@H](O[C@]2(O)[C@@H](O)[C@H](O)[C@@H](O[C@]3(O)[C@@H](O)[C@H](O)[C@@H](O)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C18H32O18/c19-1-4-7(22)8(23)9(24)15(32-4)35-18(31)6(3-21)34-16(11(26)13(18)28)36-17(30)5(2-20)33-14(29)10(25)12(17)27/h4-16,19-31H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15+,16+,17-,18-/m0/s1",LRQOQMWIEDQCHM,XCJASTIHSA,N,"1,4-beta-D-Glucan",LRQOQMWIEDQCHM-XCJASTIHSA-N
HMDB06953,390.056327206,C11H19O13P,OC1C(O)[C@H](O)C(OP(O)(=O)OCC(COC=O)OC=O)[C@H](O)[C@H]1O,"InChI=1S/C11H19O13P/c12-3-21-1-5(22-4-13)2-23-25(19,20)24-11-9(17)7(15)6(14)8(16)10(11)18/h3-11,14-18H,1-2H2,(H,19,20)/t5?,6?,7-,8?,9+,10-,11?/m0/s1",GUBXYMKIJFOYOA,WSRCIYAPSA,N,1-Phosphatidyl-D-myo-inositol,GUBXYMKIJFOYOA-WSRCIYAPSA-N
HMDB06954,181.037507717,C8H7NO4,CC1=NC=C(C=O)C(C(O)=O)=C1O,"InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)",JTWNWNJMNSJYDL,UHFFFAOYSA,N,2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate,JTWNWNJMNSJYDL-UHFFFAOYSA-N
HMDB06955,197.032422339,C8H7NO5,CC1=NC=C(C(O)=O)C(C(O)=O)=C1O,"InChI=1S/C8H7NO5/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12/h2,10H,1H3,(H,11,12)(H,13,14)",LVJJEIJOKPHQOU,UHFFFAOYSA,N,"3-Hydroxy-2-methylpyridine-4,5-dicarboxylate",LVJJEIJOKPHQOU-UHFFFAOYSA-N
HMDB06961,74.036779436,C3H6O2,CC(=O)CO,"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3",XLSMFKSTNGKWQX,UHFFFAOYSA,N,Hydroxyacetone,XLSMFKSTNGKWQX-UHFFFAOYSA-N
HMDB06968,953.514292916,C44H81N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41+,42?,43-/m1/s1",ITYHVANGBZMQML,QDFYKRCGSA,N,CDP-DG(16:0/16:0),ITYHVANGBZMQML-QDFYKRCGSA-N
HMDB06969,981.545593045,C46H85N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C46H85N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h33-34,38-39,43-45,52-53H,3-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/t38-,39-,43+,44?,45-/m1/s1",YRTWPVQQBUGHEO,IOYUWRPMSA,N,CDP-DG(16:0/18:0),YRTWPVQQBUGHEO-IOYUWRPMSA-N
HMDB06970,979.529942025,C46H83N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h13,15,33-34,38-39,43-45,52-53H,3-12,14,16-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b15-13-/t38-,39-,43?,44+,45-/m1/s1",SUOOPPGQEZMSRO,PDKKHWMPSA,N,CDP-DG(16:0/18:1(11Z)),SUOOPPGQEZMSRO-PDKKHWMPSA-N
HMDB06971,979.529942981,C46H83N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h17-18,33-34,38-39,43-45,52-53H,3-16,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b18-17-/t38-,39-,43+,44?,45-/m1/s1",FPQIENQTTUVFMM,BLPYJZGISA,N,CDP-DG(16:0/18:1(9Z)),FPQIENQTTUVFMM-BLPYJZGISA-N
HMDB06972,977.514291961,C46H81N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C46H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h11,13,17-18,33-34,38-39,43-45,52-53H,3-10,12,14-16,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b13-11-,18-17-/t38-,39-,43+,44?,45-/m1/s1",SDCBTFIMVHXFSZ,GTSRJJEASA,N,"CDP-DG(16:0/18:2(9Z,12Z))",SDCBTFIMVHXFSZ-GTSRJJEASA-N
HMDB06973,1001.514291961,C48H81N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-44(53)64-40(37-61-43(52)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h11,13,17-18,20,22,26,28,35-36,40-41,45-47,54-55H,3-10,12,14-16,19,21,23-25,27,29-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b13-11-,18-17-,22-20-,28-26-/t40-,41-,45+,46?,47-/m1/s1",GMBXECXXNMMIAN,HUOFUYQBSA,N,"CDP-DG(16:0/20:4(5Z,8Z,11Z,14Z))",GMBXECXXNMMIAN-HUOFUYQBSA-N
HMDB06974,1001.514291961,C48H81N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-44(53)64-40(37-61-43(52)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h5,7,11,13,17-18,20,22,35-36,40-41,45-47,54-55H,3-4,6,8-10,12,14-16,19,21,23-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b7-5-,13-11-,18-17-,22-20-/t40-,41-,45+,46?,47-/m1/s1",WXDFSIMOLKAYMA,URWPZGRRSA,N,"CDP-DG(16:0/20:4(8Z,11Z,14Z,17Z))",WXDFSIMOLKAYMA-URWPZGRRSA-N
HMDB06975,1031.561242153,C50H87N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H87N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13,17-18,20-21,37-38,42-43,47-49,56-57H,3-10,12,14-16,19,22-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b13-11-,18-17-,21-20-/t42-,43-,47+,48?,49-/m1/s1",PRJKJLIDAWKOGK,ISWZWBLASA,N,"CDP-DG(16:0/22:3(10Z,13Z,16Z))",PRJKJLIDAWKOGK-ISWZWBLASA-N
HMDB06976,1025.514291961,C50H81N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h5,7,11,13,17-18,20-21,24,26,30,32,37-38,42-43,47-49,56-57H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t42-,43-,47+,48?,49-/m1/s1",QWIISELVPLOLJW,DEEKOIRLSA,N,"CDP-DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QWIISELVPLOLJW-DEEKOIRLSA-N
HMDB06977,981.545593045,C46H85N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C46H85N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-41(50)59-35-38(62-42(51)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h33-34,38-39,43-45,52-53H,3-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/t38-,39-,43+,44?,45-/m1/s1",IYHZDHRWSOSUSF,IOYUWRPMSA,N,CDP-DG(18:0/16:0),IYHZDHRWSOSUSF-IOYUWRPMSA-N
HMDB06978,1009.576893174,C48H89N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C48H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h35-36,40-41,45-47,54-55H,3-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/t40-,41-,45+,46?,47-/m1/s1",PDCWLWQTNQCGRI,KTSAPKHVSA,N,CDP-DG(18:0/18:0),PDCWLWQTNQCGRI-KTSAPKHVSA-N
HMDB06979,1007.561243109,C48H87N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C48H87N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h14,16,35-36,40-41,45-47,54-55H,3-13,15,17-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b16-14-/t40-,41-,45+,46?,47-/m1/s1",FBSLHTWQFOZAGL,DNLPIHBOSA,N,CDP-DG(18:0/18:1(11Z)),FBSLHTWQFOZAGL-DNLPIHBOSA-N
HMDB06980,1007.561243109,C48H87N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H87N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h18,20,35-36,40-41,45-47,54-55H,3-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b20-18-/t40-,41-,45+,46?,47-/m1/s1",BZFPCBWCAKHOFP,WGSLHIROSA,N,CDP-DG(18:0/18:1(9Z)),BZFPCBWCAKHOFP-WGSLHIROSA-N
HMDB06981,1005.545592089,C48H85N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h12,14,18,20,35-36,40-41,45-47,54-55H,3-11,13,15-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b14-12-,20-18-/t40-,41-,45+,46?,47-/m1/s1",SNJNNEXFHIDAJU,CZNRBNPHSA,N,"CDP-DG(18:0/18:2(9Z,12Z))",SNJNNEXFHIDAJU-CZNRBNPHSA-N
HMDB06982,1029.545592089,C50H85N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13,17,19,22,24,28,30,37-38,42-43,47-49,56-57H,3-10,12,14-16,18,20-21,23,25-27,29,31-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b13-11-,19-17-,24-22-,30-28-/t42-,43-,47+,48?,49-/m1/s1",MXWMCLVKMTUATQ,WZAFUEAISA,N,"CDP-DG(18:0/20:4(5Z,8Z,11Z,14Z))",MXWMCLVKMTUATQ-WZAFUEAISA-N
HMDB06983,1029.545592089,C50H85N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h5,7,11,13,17,19,22,24,37-38,42-43,47-49,56-57H,3-4,6,8-10,12,14-16,18,20-21,23,25-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b7-5-,13-11-,19-17-,24-22-/t42-,43-,47+,48?,49-/m1/s1",DBLTVPIFKCEJPK,CGWNWXRJSA,N,"CDP-DG(18:0/20:4(8Z,11Z,14Z,17Z))",DBLTVPIFKCEJPK-CGWNWXRJSA-N
HMDB06984,1059.592542281,C52H91N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H91N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h11,13,17,19,21-22,39-40,44-45,49-51,58-59H,3-10,12,14-16,18,20,23-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b13-11-,19-17-,22-21-/t44-,45-,49+,50?,51-/m1/s1",PFGGIXKNVYJBDI,XAHPEYRFSA,N,"CDP-DG(18:0/22:3(10Z,13Z,16Z))",PFGGIXKNVYJBDI-XAHPEYRFSA-N
HMDB06985,1053.545592089,C52H85N3O15P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h5,7,11,13,17,19,21-22,26,28,32,34,39-40,44-45,49-51,58-59H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t44-,45-,49+,50?,51-/m1/s1",RNRRBCONAMXMKQ,FUYMUNIHSA,N,"CDP-DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RNRRBCONAMXMKQ-FUYMUNIHSA-N
HMDB06986,979.529942981,C46H83N3O15P2,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-41(50)59-35-38(62-42(51)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h13,15,33-34,38-39,43-45,52-53H,3-12,14,16-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b15-13-/t38-,39-,43+,44?,45-/m1/s1",JYZDWTGASQILGK,PAKZJQHWSA,N,CDP-DG(18:1(11Z)/16:0),JYZDWTGASQILGK-PAKZJQHWSA-N
HMDB06987,1007.561243109,C48H87N3O15P2,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C48H87N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h13,15,35-36,40-41,45-47,54-55H,3-12,14,16-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b15-13-/t40-,41-,45+,46?,47-/m1/s1",DJBNZGPJCVNART,DOPBKWFCSA,N,CDP-DG(18:1(11Z)/18:0),DJBNZGPJCVNART-DOPBKWFCSA-N
HMDB06988,1005.545593045,C48H85N3O15P2,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h13-16,35-36,40-41,45-47,54-55H,3-12,17-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b15-13-,16-14-/t40-,41-,45+,46?,47-/m1/s1",KISJWPWNABZPGN,PYYNXHAWSA,N,CDP-DG(18:1(11Z)/18:1(11Z)),KISJWPWNABZPGN-PYYNXHAWSA-N
HMDB06989,1005.545593045,C48H85N3O15P2,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h13,15,18,20,35-36,40-41,45-47,54-55H,3-12,14,16-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b15-13-,20-18-/t40-,41-,45+,46?,47-/m1/s1",MJTZWNDRIHJESM,GZSUXWSDSA,N,CDP-DG(18:1(11Z)/18:1(9Z)),MJTZWNDRIHJESM-GZSUXWSDSA-N
HMDB06990,1003.529942025,C48H83N3O15P2,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h12-15,18,20,35-36,40-41,45-47,54-55H,3-11,16-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b14-12-,15-13-,20-18-/t40-,41-,45+,46?,47-/m1/s1",YGZYGQXACNZDAJ,KVGNFNSDSA,N,"CDP-DG(18:1(11Z)/18:2(9Z,12Z))",YGZYGQXACNZDAJ-KVGNFNSDSA-N
HMDB06991,1027.529942025,C50H83N3O15P2,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13-14,16-17,19,22,24,28,30,37-38,42-43,47-49,56-57H,3-10,12,15,18,20-21,23,25-27,29,31-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b13-11-,16-14-,19-17-,24-22-,30-28-/t42-,43-,47+,48?,49-/m1/s1",VKSATYKCIFBIGQ,DPJFXASKSA,N,"CDP-DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",VKSATYKCIFBIGQ-DPJFXASKSA-N
HMDB06992,1027.529942025,C50H83N3O15P2,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h5,7,11,13-14,16-17,19,22,24,37-38,42-43,47-49,56-57H,3-4,6,8-10,12,15,18,20-21,23,25-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b7-5-,13-11-,16-14-,19-17-,24-22-/t42-,43-,47+,48?,49-/m1/s1",POTUYISZWXOXIP,XOHYLDBDSA,N,"CDP-DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",POTUYISZWXOXIP-XOHYLDBDSA-N
HMDB06993,1057.576892217,C52H89N3O15P2,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h11,13-14,16-17,19,21-22,39-40,44-45,49-51,58-59H,3-10,12,15,18,20,23-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b13-11-,16-14-,19-17-,22-21-/t44-,45-,49+,50?,51-/m1/s1",YXFWEZRPMYWBJO,QEVNKONESA,N,"CDP-DG(18:1(11Z)/22:3(10Z,13Z,16Z))",YXFWEZRPMYWBJO-QEVNKONESA-N
HMDB06994,1051.529942981,C52H83N3O15P2,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,39-40,44-45,49-51,58-59H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t44-,45-,49+,50?,51-/m1/s1",DLHOGIVUAZAHPZ,ZDAJIRAHSA,N,"CDP-DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DLHOGIVUAZAHPZ-ZDAJIRAHSA-N
HMDB06995,979.529942981,C46H83N3O15P2,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-41(50)59-35-38(62-42(51)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h17-18,33-34,38-39,43-45,52-53H,3-16,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b18-17-/t38-,39-,43+,44?,45-/m1/s1",KHISIACUGVAERS,BLPYJZGISA,N,CDP-DG(18:1(9Z)/16:0),KHISIACUGVAERS-BLPYJZGISA-N
HMDB06996,1007.561243109,C48H87N3O15P2,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C48H87N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h17,19,35-36,40-41,45-47,54-55H,3-16,18,20-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b19-17-/t40-,41-,45+,46?,47-/m1/s1",MLSXVHUEBZQJSW,INSNHAQQSA,N,CDP-DG(18:1(9Z)/18:0),MLSXVHUEBZQJSW-INSNHAQQSA-N
HMDB06997,1005.545593045,C48H85N3O15P2,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h14,16-17,19,35-36,40-41,45-47,54-55H,3-13,15,18,20-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b16-14-,19-17-/t40-,41-,45+,46?,47-/m1/s1",OAHLYURAXDZWKU,HKGKMMGUSA,N,CDP-DG(18:1(9Z)/18:1(11Z)),OAHLYURAXDZWKU-HKGKMMGUSA-N
HMDB06998,1003.529942025,C48H83N3O15P2,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h12,14,17-20,35-36,40-41,45-47,54-55H,3-11,13,15-16,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b14-12-,19-17-,20-18-/t40-,41-,45+,46?,47-/m1/s1",UJQQGEDCLSFEMD,LTKIUGHASA,N,"CDP-DG(18:1(9Z)/18:2(9Z,12Z))",UJQQGEDCLSFEMD-LTKIUGHASA-N
HMDB06999,1027.529942025,C50H83N3O15P2,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13,17-19,21-22,24,28,30,37-38,42-43,47-49,56-57H,3-10,12,14-16,20,23,25-27,29,31-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b13-11-,19-17-,21-18-,24-22-,30-28-/t42-,43-,47+,48?,49-/m1/s1",JHMUAQLWUZUICD,VCPDAXNKSA,N,"CDP-DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",JHMUAQLWUZUICD-VCPDAXNKSA-N
HMDB07000,1027.529942025,C50H83N3O15P2,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h5,7,11,13,17-19,21-22,24,37-38,42-43,47-49,56-57H,3-4,6,8-10,12,14-16,20,23,25-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b7-5-,13-11-,19-17-,21-18-,24-22-/t42-,43-,47+,48?,49-/m1/s1",LIAVCDZTJPIMRK,OLWGBVDBSA,N,"CDP-DG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",LIAVCDZTJPIMRK-OLWGBVDBSA-N
HMDB07001,1057.576892217,C52H89N3O15P2,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h11,13,17-19,21-23,39-40,44-45,49-51,58-59H,3-10,12,14-16,20,24-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b13-11-,19-17-,22-21-,23-18-/t44-,45-,49+,50?,51-/m1/s1",KTDSFHYGTNRDNM,CHNQJESLSA,N,"CDP-DG(18:1(9Z)/22:3(10Z,13Z,16Z))",KTDSFHYGTNRDNM-CHNQJESLSA-N
HMDB07002,1051.529942025,C52H83N3O15P2,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h5,7,11,13,17-19,21-23,26,28,32,34,39-40,44-45,49-51,58-59H,3-4,6,8-10,12,14-16,20,24-25,27,29-31,33,35-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t44-,45-,49+,50?,51-/m1/s1",WBSOVHAXQXGTNF,XQEBKLMISA,N,"CDP-DG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WBSOVHAXQXGTNF-XQEBKLMISA-N
HMDB07003,392.232775428,C19H37O6P,CCCCCCCCCCCCCCCC(=O)OCC1COP(O)(=O)O1,"InChI=1S/C19H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(20)23-16-18-17-24-26(21,22)25-18/h18H,2-17H2,1H3,(H,21,22)",WLYRJURLXSFXRK,UHFFFAOYSA,N,CPA(16:0/0:0),WLYRJURLXSFXRK-UHFFFAOYSA-N
HMDB07004,420.264075556,C21H41O6P,CCCCCCCCCCCCCCCCCC(=O)OCC1COP(O)(=O)O1,"InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h20H,2-19H2,1H3,(H,23,24)",BAAJXXGEGGUMMX,UHFFFAOYSA,N,CPA(18:0/0:0),BAAJXXGEGGUMMX-UHFFFAOYSA-N
HMDB07005,418.248425492,C21H39O6P,CCCCCC\C=C/CCCCCCCCCC(=O)OCC1COP(O)(=O)O1,"InChI=1S/C21H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h7-8,20H,2-6,9-19H2,1H3,(H,23,24)/b8-7-",AXUULXHJKNFQON,FPLPWBNLSA,N,CPA(18:1(11Z)/0:0),AXUULXHJKNFQON-FPLPWBNLSA-N
HMDB07006,418.248425492,C21H39O6P,CCCCCCCC\C=C/CCCCCCCC(=O)OCC1COP(O)(=O)O1,"InChI=1S/C21H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)/b10-9-",ZUUIRLHAEZAVCP,KTKRTIGZSA,N,CPA(18:1(9Z)/0:0),ZUUIRLHAEZAVCP-KTKRTIGZSA-N
HMDB07007,416.232775428,C21H37O6P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC1COP(O)(=O)O1,"InChI=1S/C21H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H,23,24)/b7-6-,10-9-",AZRMIMGGEACCGU,HZJYTTRNSA,N,"CPA(18:2(9Z,12Z)/0:0)",AZRMIMGGEACCGU-HZJYTTRNSA-N
HMDB07008,512.44407503,C31H60O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1",JFBCSFJKETUREV,LJAQVGFWSA,N,DG(14:0/14:0/0:0),JFBCSFJKETUREV-LJAQVGFWSA-N
HMDB07009,510.428424966,C31H58O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C31H58O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,29,32H,3-9,11,13-28H2,1-2H3/b12-10-/t29-/m0/s1",YXMZUGRMRIHNJM,YFILLSJLSA,N,DG(14:0/14:1(9Z)/0:0),YXMZUGRMRIHNJM-YFILLSJLSA-N
HMDB07010,526.459725094,C32H62O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30(28-33)29-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h30,33H,3-29H2,1-2H3/t30-/m0/s1",UWIIGCBFEBKNOZ,PMERELPUSA,N,DG(14:0/15:0/0:0),UWIIGCBFEBKNOZ-PMERELPUSA-N
HMDB07011,540.475375158,C33H64O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-31(29-34)30-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m0/s1",NYNQTTOUQMCOEM,HKBQPEDESA,N,DG(14:0/16:0/0:0),NYNQTTOUQMCOEM-HKBQPEDESA-N
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HMDB07119,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,39,42H,3-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3/b13-11-,18-17-,21-20-,26-24-,32-30-/t39-/m0/s1",GHFNDQGKMZNZOE,OKDYJUGASA,N,"DG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",GHFNDQGKMZNZOE-OKDYJUGASA-N
HMDB07120,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,39,42H,3-4,6,8-10,12,14-16,19,22-23,25,27-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,26-24-/t39-/m0/s1",VLJIZFHHJAQUNJ,ACPSSCCYSA,N,"DG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",VLJIZFHHJAQUNJ-ACPSSCCYSA-N
HMDB07121,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,39,42H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t39-/m0/s1",BXVYQJJBMVVALQ,VVSMSMGFSA,N,"DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",BXVYQJJBMVVALQ-VVSMSMGFSA-N
HMDB07122,680.631875798,C43H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m0/s1",TVIWMCWDNANSBL,RWYGWLOXSA,N,DG(16:0/24:0/0:0),TVIWMCWDNANSBL-RWYGWLOXSA-N
HMDB07123,678.616225734,C43H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,41,44H,3-16,19-40H2,1-2H3/b18-17-/t41-/m0/s1",FXLDYAJCMQYCHG,FKQJZCQMSA,N,DG(16:0/24:1(15Z)/0:0),FXLDYAJCMQYCHG-FKQJZCQMSA-N
HMDB07124,538.459725094,C33H62O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C33H62O5/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h13,15,31,34H,3-12,14,16-30H2,1-2H3/b15-13-/t31-/m0/s1",VZUSEPVLZLDJKD,QDPLMGLHSA,N,DG(16:1(9Z)/14:0/0:0),VZUSEPVLZLDJKD-QDPLMGLHSA-N
HMDB07125,536.44407503,C33H60O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C33H60O5/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12-13,15,31,34H,3-9,11,14,16-30H2,1-2H3/b12-10-,15-13-/t31-/m0/s1",QLNBBFHLOKNQAA,VMNLQMMRSA,N,DG(16:1(9Z)/14:1(9Z)/0:0),QLNBBFHLOKNQAA-VMNLQMMRSA-N
HMDB07126,552.475375158,C34H64O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C34H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(36)38-31-32(30-35)39-34(37)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,32,35H,3-12,14,16-31H2,1-2H3/b15-13-/t32-/m0/s1",XWXCWIRSEKHIGL,UFDIJAIZSA,N,DG(16:1(9Z)/15:0/0:0),XWXCWIRSEKHIGL-UFDIJAIZSA-N
HMDB07127,566.491025222,C35H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33,36H,3-12,14,16-32H2,1-2H3/b15-13-/t33-/m0/s1",PBQUPIXOPSSWNK,ZWOXTJJBSA,N,DG(16:1(9Z)/16:0/0:0),PBQUPIXOPSSWNK-ZWOXTJJBSA-N
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HMDB07129,594.52232535,C37H70O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,35,38H,3-13,15,17-34H2,1-2H3/b16-14-/t35-/m0/s1",SPBROLJVHYTNGF,BSNNDZOISA,N,DG(16:1(9Z)/18:0/0:0),SPBROLJVHYTNGF-BSNNDZOISA-N
HMDB07130,592.506675286,C37H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,35,38H,3-12,17-34H2,1-2H3/b15-13-,16-14-/t35-/m0/s1",ZLSFIDLWXKZYAS,QPFMYUCOSA,N,DG(16:1(9Z)/18:1(11Z)/0:0),ZLSFIDLWXKZYAS-QPFMYUCOSA-N
HMDB07131,592.506675286,C37H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,35,38H,3-13,15,19-34H2,1-2H3/b16-14-,18-17-/t35-/m0/s1",FWWLDEIJAPIBES,DATDAJMQSA,N,DG(16:1(9Z)/18:1(9Z)/0:0),FWWLDEIJAPIBES-DATDAJMQSA-N
HMDB07132,590.491025222,C37H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,35,38H,3-10,12,15,19-34H2,1-2H3/b13-11-,16-14-,18-17-/t35-/m0/s1",BHGPPCIWDXQOMA,IXDOJJAKSA,N,"DG(16:1(9Z)/18:2(9Z,12Z)/0:0)",BHGPPCIWDXQOMA-IXDOJJAKSA-N
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HMDB07135,586.459725094,C37H62O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,22,24,35,38H,3-4,6,8-10,12,15,19-21,23,25-34H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,24-22-/t35-/m0/s1",LQPOSGRNWNZNHI,ZVPBBHRDSA,N,"DG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",LQPOSGRNWNZNHI-ZVPBBHRDSA-N
HMDB07136,622.553625478,C39H74O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16,37,40H,3-13,15,17-36H2,1-2H3/b16-14-/t37-/m0/s1",CJEAOBNZIRDIRB,KDKAWYBRSA,N,DG(16:1(9Z)/20:0/0:0),CJEAOBNZIRDIRB-KDKAWYBRSA-N
HMDB07137,620.537975414,C39H72O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3/b16-14-,18-17-/t37-/m0/s1",FBCDXXQBGHZSLI,JSTCSLLMSA,N,DG(16:1(9Z)/20:1(11Z)/0:0),FBCDXXQBGHZSLI-JSTCSLLMSA-N
HMDB07138,618.52232535,C39H70O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,37,40H,3-10,12,15,19-36H2,1-2H3/b13-11-,16-14-,18-17-/t37-/m0/s1",WPAJXHHVSWVZKN,YCGDJTGESA,N,"DG(16:1(9Z)/20:2(11Z,14Z)/0:0)",WPAJXHHVSWVZKN-YCGDJTGESA-N
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HMDB07141,614.491025222,C39H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,26,28,37,40H,3-10,12,15,19,21,23-25,27,29-36H2,1-2H3/b13-11-,16-14-,18-17-,22-20-,28-26-/t37-/m0/s1",IVRNQYIPGILFPZ,SEKRGLSRSA,N,"DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",IVRNQYIPGILFPZ-SEKRGLSRSA-N
HMDB07142,614.491025222,C39H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,37,40H,3-4,6,8-10,12,15,19,21,23-36H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,22-20-/t37-/m0/s1",CMBHKSKRJUUOQH,YGFCVJAISA,N,"DG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",CMBHKSKRJUUOQH-YGFCVJAISA-N
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HMDB07196,646.553625478,C41H74O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,39,42H,3-10,12,15,18,20-38H2,1-2H3/b13-11-,16-14-,19-17-/t39-/m0/s1",OIXPTJDLWKBDKU,UEUWINCVSA,N,"DG(18:1(11Z)/20:2(11Z,14Z)/0:0)",OIXPTJDLWKBDKU-UEUWINCVSA-N
HMDB07197,672.569275542,C43H76O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,20-21,24,26,30,32,41,44H,3-13,15,17-19,22-23,25,27-29,31,33-40H2,1-2H3/b16-14-,21-20-,26-24-,32-30-/t41-/m0/s1",YTSWOEQCQXAQDH,LCQCWRIZSA,N,"DG(18:1(11Z)/20:3(5Z,8Z,11Z)/0:0)",YTSWOEQCQXAQDH-LCQCWRIZSA-N
HMDB07198,644.537975414,C41H72O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,39,42H,3-10,12,15,18,20-21,23,25-38H2,1-2H3/b13-11-,16-14-,19-17-,24-22-/t39-/m0/s1",GAALDXSSYWDKHY,LPZPKENOSA,N,"DG(18:1(11Z)/20:3(8Z,11Z,14Z)/0:0)",GAALDXSSYWDKHY-LPZPKENOSA-N
HMDB07199,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,39,42H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,16-14-,19-17-,24-22-,30-28-/t39-/m0/s1",UUDOMEYLXRMHOC,FXHMYPJMSA,N,"DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",UUDOMEYLXRMHOC-FXHMYPJMSA-N
HMDB07200,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,39,42H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,24-22-/t39-/m0/s1",SISOTSHTWKLHSX,TZVDTISPSA,N,"DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",SISOTSHTWKLHSX-TZVDTISPSA-N
HMDB07201,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,39,42H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-/t39-/m0/s1",VOMWZIOQFOWIQI,MKRDPDFLSA,N,"DG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",VOMWZIOQFOWIQI-MKRDPDFLSA-N
HMDB07202,678.616225734,C43H82O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,41,44H,3-13,15,17-40H2,1-2H3/b16-14-/t41-/m0/s1",VPCSXODTTHAJTB,HJQHNVIGSA,N,DG(18:1(11Z)/22:0/0:0),VPCSXODTTHAJTB-HJQHNVIGSA-N
HMDB07203,676.60057567,C43H80O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16-17,19,41,44H,3-13,15,18,20-40H2,1-2H3/b16-14-,19-17-/t41-/m0/s1",RIUDEFVDQJMFPJ,CTRHINBQSA,N,DG(18:1(11Z)/22:1(13Z)/0:0),RIUDEFVDQJMFPJ-CTRHINBQSA-N
HMDB07204,674.584925606,C43H78O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,41,44H,3-10,12,15,18,20-40H2,1-2H3/b13-11-,16-14-,19-17-/t41-/m0/s1",MFYPBPYZOLPVCR,DGEULWQDSA,N,"DG(18:1(11Z)/22:2(13Z,16Z)/0:0)",MFYPBPYZOLPVCR-DGEULWQDSA-N
HMDB07205,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,41,44H,3-10,12,15,18,20,23-25,27,29-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,28-26-/t41-/m0/s1",NKDHOYXNDMODDX,YBHIYYQISA,N,"DG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",NKDHOYXNDMODDX-YBHIYYQISA-N
HMDB07206,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,32,34,41,44H,3-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t41-/m0/s1",YJHQVQIVRKJNNG,YPKFTTCHSA,N,"DG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",YJHQVQIVRKJNNG-YPKFTTCHSA-N
HMDB07207,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,41,44H,3-4,6,8-10,12,15,18,20,23-25,27,29-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-/t41-/m0/s1",ZEMYNAGHMFXKOF,VTNHKWKHSA,N,"DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",ZEMYNAGHMFXKOF-VTNHKWKHSA-N
HMDB07208,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,41,44H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t41-/m0/s1",CVSMXWVJFQUQJK,YMCYZELXSA,N,"DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",CVSMXWVJFQUQJK-YMCYZELXSA-N
HMDB07209,706.647525862,C45H86O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16,43,46H,3-13,15,17-42H2,1-2H3/b16-14-/t43-/m0/s1",UIMXDEOHRFGMEH,KRXRIBMHSA,N,DG(18:1(11Z)/24:0/0:0),UIMXDEOHRFGMEH-KRXRIBMHSA-N
HMDB07210,704.631875798,C45H84O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,43,46H,3-13,15,18,20-42H2,1-2H3/b16-14-,19-17-/t43-/m0/s1",ZSQAOKSZFDYOAM,GHJNHKDUSA,N,DG(18:1(11Z)/24:1(15Z)/0:0),ZSQAOKSZFDYOAM-GHJNHKDUSA-N
HMDB07211,566.491025222,C35H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h16-17,33,36H,3-15,18-32H2,1-2H3/b17-16-/t33-/m0/s1",HMLMESHNDWTNJR,ASUORMEESA,N,DG(18:1(9Z)/14:0/0:0),HMLMESHNDWTNJR-ASUORMEESA-N
HMDB07212,564.475375158,C35H64O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,16-17,33,36H,3-9,11,13-15,18-32H2,1-2H3/b12-10-,17-16-/t33-/m0/s1",FQEGLIKCKLHEGC,QGYSHCINSA,N,DG(18:1(9Z)/14:1(9Z)/0:0),FQEGLIKCKLHEGC-QGYSHCINSA-N
HMDB07213,580.506675286,C36H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h17-18,34,37H,3-16,19-33H2,1-2H3/b18-17-/t34-/m0/s1",ONBSDLIRNOIADI,PDGPHRJUSA,N,DG(18:1(9Z)/15:0/0:0),ONBSDLIRNOIADI-PDGPHRJUSA-N
HMDB07214,594.52232535,C37H70O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1",DOZKMFVMCATMEH,OZKTZCCCSA,N,DG(18:1(9Z)/16:0/0:0),DOZKMFVMCATMEH-OZKTZCCCSA-N
HMDB07215,592.506675286,C37H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,35,38H,3-13,15,19-34H2,1-2H3/b16-14-,18-17-/t35-/m0/s1",PFIBPRNWUYNCLJ,DATDAJMQSA,N,DG(18:1(9Z)/16:1(9Z)/0:0),PFIBPRNWUYNCLJ-DATDAJMQSA-N
HMDB07216,622.553625478,C39H74O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,37,40H,3-16,18,20-36H2,1-2H3/b19-17-/t37-/m0/s1",QFAYEXQEVKDUJW,DGZCRLAFSA,N,DG(18:1(9Z)/18:0/0:0),QFAYEXQEVKDUJW-DGZCRLAFSA-N
HMDB07217,620.537975414,C39H72O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40H,3-13,15,18,20-36H2,1-2H3/b16-14-,19-17-/t37-/m0/s1",REOLZUSWSABFNR,ZLQCVYQCSA,N,DG(18:1(9Z)/18:1(11Z)/0:0),REOLZUSWSABFNR-ZLQCVYQCSA-N
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HMDB07220,616.506675286,C39H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,37,40H,3-11,13,15-16,21-23,25,27-36H2,1-2H3/b14-12-,19-17-,20-18-,26-24-/t37-/m0/s1",MMKHFCYHSNLQRO,MICHFLGGSA,N,"DG(18:1(9Z)/18:3(6Z,9Z,12Z)/0:0)",MMKHFCYHSNLQRO-MICHFLGGSA-N
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HMDB07224,648.569275542,C41H76O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,39,42H,3-16,20,22-38H2,1-2H3/b19-17-,21-18-/t39-/m0/s1",AKCNIDZVBDSVNW,VDHPRTRFSA,N,DG(18:1(9Z)/20:1(11Z)/0:0),AKCNIDZVBDSVNW-VDHPRTRFSA-N
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HMDB07244,590.491025222,C37H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,35,38H,3-10,12,15,19-34H2,1-2H3/b13-11-,16-14-,18-17-/t35-/m0/s1",DPGMZDAWGDNYKG,IXDOJJAKSA,N,"DG(18:2(9Z,12Z)/16:1(9Z)/0:0)",DPGMZDAWGDNYKG-IXDOJJAKSA-N
HMDB07245,620.537975414,C39H72O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40H,3-10,12,14-16,18,20-36H2,1-2H3/b13-11-,19-17-/t37-/m0/s1",ZXCJPCXCYXXSHZ,ABRBOSAFSA,N,"DG(18:2(9Z,12Z)/18:0/0:0)",ZXCJPCXCYXXSHZ-ABRBOSAFSA-N
HMDB07246,618.52232535,C39H70O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,37,40H,3-10,12,15,18,20-36H2,1-2H3/b13-11-,16-14-,19-17-/t37-/m0/s1",YNIJMKWVLKABRN,TWDSNVLRSA,N,"DG(18:2(9Z,12Z)/18:1(11Z)/0:0)",YNIJMKWVLKABRN-TWDSNVLRSA-N
HMDB07247,618.52232535,C39H70O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40H,3-10,12,14-16,21-36H2,1-2H3/b13-11-,19-17-,20-18-/t37-/m0/s1",FQNNBQJKEBDPQS,QPNAJOTBSA,N,"DG(18:2(9Z,12Z)/18:1(9Z)/0:0)",FQNNBQJKEBDPQS-QPNAJOTBSA-N
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HMDB07249,614.491025222,C39H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,37,40H,3-10,15-16,21-23,25,27-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,26-24-/t37-/m0/s1",ZDBLXLQFRZTIIU,ZEYSAPHZSA,N,"DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)",ZDBLXLQFRZTIIU-ZEYSAPHZSA-N
HMDB07250,614.491025222,C39H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,37,40H,3-5,7,9-10,15-16,21-36H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-/t37-/m0/s1",PGXBELQFNRPKBC,WBVIKXMWSA,N,"DG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/0:0)",PGXBELQFNRPKBC-WBVIKXMWSA-N
HMDB07251,612.475375158,C39H64O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,37,40H,3-5,7,9-10,15-16,21-23,25,27-36H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t37-/m0/s1",BYLXXZYUDXCZFN,YQRUEVQWSA,N,"DG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",BYLXXZYUDXCZFN-YQRUEVQWSA-N
HMDB07252,648.569275542,C41H76O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,39,42H,3-11,13,15-17,19-20,22-38H2,1-2H3/b14-12-,21-18-/t39-/m0/s1",ZNOIOLWTHOFTSX,LWXJMYDFSA,N,"DG(18:2(9Z,12Z)/20:0/0:0)",ZNOIOLWTHOFTSX-LWXJMYDFSA-N
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HMDB07254,644.537975414,C41H72O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,39,42H,3-10,15-16,20,22-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-/t39-/m0/s1",KWDLZBOFKFWNKF,ASQXEFDISA,N,"DG(18:2(9Z,12Z)/20:2(11Z,14Z)/0:0)",KWDLZBOFKFWNKF-ASQXEFDISA-N
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HMDB07256,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,39,42H,3-10,15-16,20,23,25-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,24-22-/t39-/m0/s1",YOCFNRCUDLNVHC,DEAWSBFVSA,N,"DG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)/0:0)",YOCFNRCUDLNVHC-DEAWSBFVSA-N
HMDB07257,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,28,30,39,42H,3-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1",KRECEGQUDDMNAQ,MYBRWWDOSA,N,"DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",KRECEGQUDDMNAQ-MYBRWWDOSA-N
HMDB07258,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24,39,42H,3-4,6,8-10,15-16,20,23,25-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-/t39-/m0/s1",XQKXAZZSUMABAU,HKOSRXLCSA,N,"DG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",XQKXAZZSUMABAU-HKOSRXLCSA-N
HMDB07259,638.491025222,C41H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24,28,30,39,42H,3-4,6,8-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1",NJMRNAUCBISRLW,MXFFFPLYSA,N,"DG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",NJMRNAUCBISRLW-MXFFFPLYSA-N
HMDB07260,676.60057567,C43H80O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,41,44H,3-11,13,15-17,19-22,24-40H2,1-2H3/b14-12-,23-18-/t41-/m0/s1",MUGMVAWNRXSCNZ,MBAZWWNYSA,N,"DG(18:2(9Z,12Z)/22:0/0:0)",MUGMVAWNRXSCNZ-MBAZWWNYSA-N
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HMDB07262,672.569275542,C43H76O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44H,3-10,15-16,20-22,24-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-/t41-/m0/s1",XQABSIGFGYYERB,AFRYFLNXSA,N,"DG(18:2(9Z,12Z)/22:2(13Z,16Z)/0:0)",XQABSIGFGYYERB-AFRYFLNXSA-N
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HMDB07265,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,41,44H,3-4,6,8-10,15-16,20,24-25,27,29-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-/m0/s1",LRHVZVQHYQOHJX,NMJALGAOSA,N,"DG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",LRHVZVQHYQOHJX-NMJALGAOSA-N
HMDB07266,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,32,34,41,44H,3-4,6,8-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m0/s1",GPMAAGRGFWBOSO,ULIJUFBVSA,N,"DG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",GPMAAGRGFWBOSO-ULIJUFBVSA-N
HMDB07267,704.631875798,C45H84O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,43,46H,3-11,13,15-17,19-24,26-42H2,1-2H3/b14-12-,25-18-/t43-/m0/s1",CREKPPWUJXKTBJ,RUBACYBRSA,N,"DG(18:2(9Z,12Z)/24:0/0:0)",CREKPPWUJXKTBJ-RUBACYBRSA-N
HMDB07268,702.616225734,C45H82O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,43,46H,3-11,13,15-16,20-24,26-42H2,1-2H3/b14-12-,19-17-,25-18-/t43-/m0/s1",VQWPRLNMRKSLRU,NJXAGVJISA,N,"DG(18:2(9Z,12Z)/24:1(15Z)/0:0)",VQWPRLNMRKSLRU-NJXAGVJISA-N
HMDB07269,562.459725094,C35H62O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h11,13,16-17,20-21,33,36H,3-10,12,14-15,18-19,22-32H2,1-2H3/b13-11-,17-16-,21-20-/t33-/m0/s1",JZYIYYFHNNKJMM,UAKXDPAOSA,N,"DG(18:3(6Z,9Z,12Z)/14:0/0:0)",JZYIYYFHNNKJMM-UAKXDPAOSA-N
HMDB07270,560.44407503,C35H60O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h10-13,16-17,20-21,33,36H,3-9,14-15,18-19,22-32H2,1-2H3/b12-10-,13-11-,17-16-,21-20-/t33-/m0/s1",AFTULFNBAWADMG,GSJZKLKLSA,N,"DG(18:3(6Z,9Z,12Z)/14:1(9Z)/0:0)",AFTULFNBAWADMG-GSJZKLKLSA-N
HMDB07271,576.475375158,C36H64O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h11,13,17-18,21-22,34,37H,3-10,12,14-16,19-20,23-33H2,1-2H3/b13-11-,18-17-,22-21-/t34-/m0/s1",XPGUEPBYNVJPCL,QFJHKLMISA,N,"DG(18:3(6Z,9Z,12Z)/15:0/0:0)",XPGUEPBYNVJPCL-QFJHKLMISA-N
HMDB07272,590.491025222,C37H66O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,35,38H,3-10,12,14-16,19-20,22,24-34H2,1-2H3/b13-11-,18-17-,23-21-/t35-/m0/s1",NFVDEXJHCNKRNB,XEQVECQLSA,N,"DG(18:3(6Z,9Z,12Z)/16:0/0:0)",NFVDEXJHCNKRNB-XEQVECQLSA-N
HMDB07273,588.475375158,C37H64O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,21,23,35,38H,3-10,12,15,19-20,22,24-34H2,1-2H3/b13-11-,16-14-,18-17-,23-21-/t35-/m0/s1",NMSWJOWPISSOTH,CCABUEPZSA,N,"DG(18:3(6Z,9Z,12Z)/16:1(9Z)/0:0)",NMSWJOWPISSOTH-CCABUEPZSA-N
HMDB07274,618.52232535,C39H70O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,37,40H,3-10,12,14-16,18,20-22,24,26-36H2,1-2H3/b13-11-,19-17-,25-23-/t37-/m0/s1",ZPHRNEDMZVPDPW,CBKFDAJOSA,N,"DG(18:3(6Z,9Z,12Z)/18:0/0:0)",ZPHRNEDMZVPDPW-CBKFDAJOSA-N
HMDB07275,616.506675286,C39H68O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,37,40H,3-10,12,15,18,20-22,24,26-36H2,1-2H3/b13-11-,16-14-,19-17-,25-23-/t37-/m0/s1",KRGCJDIPBJLYNU,POWVNYCLSA,N,"DG(18:3(6Z,9Z,12Z)/18:1(11Z)/0:0)",KRGCJDIPBJLYNU-POWVNYCLSA-N
HMDB07276,616.506675286,C39H68O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,37,40H,3-10,12,14-16,21-22,24,26-36H2,1-2H3/b13-11-,19-17-,20-18-,25-23-/t37-/m0/s1",BMMVKOKTTXXULX,ZMIOHZPPSA,N,"DG(18:3(6Z,9Z,12Z)/18:1(9Z)/0:0)",BMMVKOKTTXXULX-ZMIOHZPPSA-N
HMDB07277,614.491025222,C39H66O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,37,40H,3-10,15-16,21-22,24,26-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-/t37-/m0/s1",NEYUIEVYOYUWGW,AGNGCCSQSA,N,"DG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/0:0)",NEYUIEVYOYUWGW-AGNGCCSQSA-N
HMDB07278,612.475375158,C39H64O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,37,40H,3-10,15-16,21-22,27-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-/m0/s1",JVRVKOOOXHGJKI,ITLZUPGPSA,N,"DG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)",JVRVKOOOXHGJKI-ITLZUPGPSA-N
HMDB07279,612.475375158,C39H64O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23,25,37,40H,3-5,7,9-10,15-16,21-22,24,26-36H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t37-/m0/s1",OGEVDGPPHTZMPM,BSKUQPOYSA,N,"DG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/0:0)",OGEVDGPPHTZMPM-BSKUQPOYSA-N
HMDB07280,610.459725094,C39H62O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,37,40H,3-5,7,9-10,15-16,21-22,27-36H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-/m0/s1",BZTQQFDJESLHOA,ILZSWZTISA,N,"DG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",BZTQQFDJESLHOA-ILZSWZTISA-N
HMDB07281,646.553625478,C41H74O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,25,27,39,42H,3-11,13,15-17,19-20,22-24,26,28-38H2,1-2H3/b14-12-,21-18-,27-25-/t39-/m0/s1",AHFXSFABMNMUBM,WIYORBNSSA,N,"DG(18:3(6Z,9Z,12Z)/20:0/0:0)",AHFXSFABMNMUBM-WIYORBNSSA-N
HMDB07282,644.537975414,C41H72O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,25,27,39,42H,3-11,13,15-16,20,22-24,26,28-38H2,1-2H3/b14-12-,19-17-,21-18-,27-25-/t39-/m0/s1",IWXDCAQXGQMDAR,JHYVJXQESA,N,"DG(18:3(6Z,9Z,12Z)/20:1(11Z)/0:0)",IWXDCAQXGQMDAR-JHYVJXQESA-N
HMDB07283,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,25,27,39,42H,3-10,15-16,20,22-24,26,28-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,27-25-/t39-/m0/s1",NHUHHZGAZPWFFY,JZFQNZMYSA,N,"DG(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)/0:0)",NHUHHZGAZPWFFY-JZFQNZMYSA-N
HMDB07284,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24-25,27-28,30,39,42H,3-11,13,15-16,20,23,26,29,31-38H2,1-2H3/b14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m0/s1",MQZPKXGIDJXDBZ,HZCHVVOOSA,N,"DG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/0:0)",MQZPKXGIDJXDBZ-HZCHVVOOSA-N
HMDB07285,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27,39,42H,3-10,15-16,20,23,26,28-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t39-/m0/s1",VWGFGLPCXOADGD,ZQYHGOPLSA,N,"DG(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)/0:0)",VWGFGLPCXOADGD-ZQYHGOPLSA-N
HMDB07286,638.491025222,C41H66O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27-28,30,39,42H,3-10,15-16,20,23,26,29,31-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m0/s1",BMJLMYAYQSJGQQ,KJBINIJISA,N,"DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",BMJLMYAYQSJGQQ-KJBINIJISA-N
HMDB07287,638.491025222,C41H66O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27,39,42H,3-4,6,8-10,15-16,20,23,26,28-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t39-/m0/s1",UBTRFMIZOCNCCH,LPIVCKLASA,N,"DG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",UBTRFMIZOCNCCH-LPIVCKLASA-N
HMDB07288,636.475375158,C41H64O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27-28,30,39,42H,3-4,6,8-10,15-16,20,23,26,29,31-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m0/s1",PLDSBOAPEPTUPX,VFFLDVDJSA,N,"DG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",PLDSBOAPEPTUPX-VFFLDVDJSA-N
HMDB07289,674.584925606,C43H78O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,27,29,41,44H,3-11,13,15-17,19-22,24-26,28,30-40H2,1-2H3/b14-12-,23-18-,29-27-/t41-/m0/s1",WHZBAPHGAMGIDL,JWYCNVSLSA,N,"DG(18:3(6Z,9Z,12Z)/22:0/0:0)",WHZBAPHGAMGIDL-JWYCNVSLSA-N
HMDB07290,672.569275542,C43H76O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,27,29,41,44H,3-11,13,15-16,20-22,24-26,28,30-40H2,1-2H3/b14-12-,19-17-,23-18-,29-27-/t41-/m0/s1",PHXIXXFSDSAIQO,PDGAEXEUSA,N,"DG(18:3(6Z,9Z,12Z)/22:1(13Z)/0:0)",PHXIXXFSDSAIQO-PDGAEXEUSA-N
HMDB07291,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,27,29,41,44H,3-10,15-16,20-22,24-26,28,30-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-,29-27-/t41-/m0/s1",RTZSIOQKPJZTKI,FZDCKXQYSA,N,"DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0)",RTZSIOQKPJZTKI-FZDCKXQYSA-N
HMDB07292,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,41,44H,3-10,15-16,20,24-25,30-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t41-/m0/s1",FHFMOLLRJAPEPA,JIMQXTMWSA,N,"DG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",FHFMOLLRJAPEPA-JIMQXTMWSA-N
HMDB07293,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,32,34,41,44H,3-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t41-/m0/s1",JSSHVHGKTGMKIR,ZODPGEPVSA,N,"DG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",JSSHVHGKTGMKIR-ZODPGEPVSA-N
HMDB07294,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,41,44H,3-4,6,8-10,15-16,20,24-25,30-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t41-/m0/s1",ZWECNSICXIEZID,ACRQOEDWSA,N,"DG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",ZWECNSICXIEZID-ACRQOEDWSA-N
HMDB07295,662.491025222,C43H66O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,32,34,41,44H,3-4,6,8-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t41-/m0/s1",XSVAKXYZKYCILC,WARPBGNWSA,N,"DG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",XSVAKXYZKYCILC-WARPBGNWSA-N
HMDB07296,702.616225734,C45H82O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,29,31,43,46H,3-11,13,15-17,19-24,26-28,30,32-42H2,1-2H3/b14-12-,25-18-,31-29-/t43-/m0/s1",REQYDFPPTDUCSK,TTZQTZEQSA,N,"DG(18:3(6Z,9Z,12Z)/24:0/0:0)",REQYDFPPTDUCSK-TTZQTZEQSA-N
HMDB07297,700.60057567,C45H80O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,29,31,43,46H,3-11,13,15-16,20-24,26-28,30,32-42H2,1-2H3/b14-12-,19-17-,25-18-,31-29-/t43-/m0/s1",UKXGVUNABXYDGT,KZDXCXIPSA,N,"DG(18:3(6Z,9Z,12Z)/24:1(15Z)/0:0)",UKXGVUNABXYDGT-KZDXCXIPSA-N
HMDB07298,562.459725094,C35H62O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,33,36H,3-4,6,8-10,12,14-15,18-32H2,1-2H3/b7-5-,13-11-,17-16-/t33-/m0/s1",JPQLQQYHEVIZEM,IRAKIBEVSA,N,"DG(18:3(9Z,12Z,15Z)/14:0/0:0)",JPQLQQYHEVIZEM-IRAKIBEVSA-N
HMDB07299,560.44407503,C35H60O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,33,36H,3-4,6,8-9,14-15,18-32H2,1-2H3/b7-5-,12-10-,13-11-,17-16-/t33-/m0/s1",HRKVGHDLVUYVQB,UKRSEQBJSA,N,"DG(18:3(9Z,12Z,15Z)/14:1(9Z)/0:0)",HRKVGHDLVUYVQB-UKRSEQBJSA-N
HMDB07300,576.475375158,C36H64O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,34,37H,3-4,6,8-10,12,14-16,19-33H2,1-2H3/b7-5-,13-11-,18-17-/t34-/m0/s1",MJEVTNQRFPLLCH,QECOYPFHSA,N,"DG(18:3(9Z,12Z,15Z)/15:0/0:0)",MJEVTNQRFPLLCH-QECOYPFHSA-N
HMDB07301,590.491025222,C37H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38H,3-4,6,8-10,12,14-16,19-34H2,1-2H3/b7-5-,13-11-,18-17-/t35-/m0/s1",RSSYCPWLZRHABI,DSZXWZEOSA,N,"DG(18:3(9Z,12Z,15Z)/16:0/0:0)",RSSYCPWLZRHABI-DSZXWZEOSA-N
HMDB07302,588.475375158,C37H64O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,35,38H,3-4,6,8-10,12,15,19-34H2,1-2H3/b7-5-,13-11-,16-14-,18-17-/t35-/m0/s1",WTCFWLQVTFTUDM,BTMLKTQRSA,N,"DG(18:3(9Z,12Z,15Z)/16:1(9Z)/0:0)",WTCFWLQVTFTUDM-BTMLKTQRSA-N
HMDB07303,618.52232535,C39H70O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,37,40H,3-4,6,8-10,12,14-16,18,20-36H2,1-2H3/b7-5-,13-11-,19-17-/t37-/m0/s1",ODCPEIIXENHNQQ,WEJPQBCCSA,N,"DG(18:3(9Z,12Z,15Z)/18:0/0:0)",ODCPEIIXENHNQQ-WEJPQBCCSA-N
HMDB07304,616.506675286,C39H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,37,40H,3-4,6,8-10,12,15,18,20-36H2,1-2H3/b7-5-,13-11-,16-14-,19-17-/t37-/m0/s1",IXUYFSXMHHYRHP,IPEYFSJXSA,N,"DG(18:3(9Z,12Z,15Z)/18:1(11Z)/0:0)",IXUYFSXMHHYRHP-IPEYFSJXSA-N
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HMDB07306,614.491025222,C39H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,37,40H,3-4,6,8-10,15-16,21-36H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t37-/m0/s1",JLNOLJTYJZCGLK,XSZFGFPMSA,N,"DG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/0:0)",JLNOLJTYJZCGLK-XSZFGFPMSA-N
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HMDB07308,612.475375158,C39H64O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t37-/m0/s1",RAPBJBKXYYMYAY,CGENZCGBSA,N,"DG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0)",RAPBJBKXYYMYAY-CGENZCGBSA-N
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HMDB07312,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,39,42H,3-5,7,9-10,15-16,20,22-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-/t39-/m0/s1",GRGDLDNREYVILP,CNWVQWJYSA,N,"DG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)",GRGDLDNREYVILP-CNWVQWJYSA-N
HMDB07313,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24,28,30,39,42H,3-5,7,9-11,13,15-16,20,23,25-27,29,31-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1",XPXCMAYRPSSBKG,VRRKQHPASA,N,"DG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/0:0)",XPXCMAYRPSSBKG-VRRKQHPASA-N
HMDB07314,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,39,42H,3-5,7,9-10,15-16,20,23,25-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t39-/m0/s1",YDVDXUYJFQLPEG,CTHJWPIASA,N,"DG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)",YDVDXUYJFQLPEG-CTHJWPIASA-N
HMDB07315,638.491025222,C41H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,39,42H,3-5,7,9-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1",LNULHVHEFBREGW,RRJBTLHSSA,N,"DG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",LNULHVHEFBREGW-RRJBTLHSSA-N
HMDB07316,638.491025222,C41H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24,39,42H,3-4,9-10,15-16,20,23,25-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t39-/m0/s1",KRRJLZAVCIHCJZ,BIWBDPSSSA,N,"DG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",KRRJLZAVCIHCJZ-BIWBDPSSSA-N
HMDB07317,636.475375158,C41H64O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24,28,30,39,42H,3-4,9-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1",UCNOSBIKXCGZEQ,VFIGUUKFSA,N,"DG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",UCNOSBIKXCGZEQ-VFIGUUKFSA-N
HMDB07318,674.584925606,C43H78O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,41,44H,3-5,7,9-11,13,15-17,19-22,24-40H2,1-2H3/b8-6-,14-12-,23-18-/t41-/m0/s1",DPHWXZLPVJVDLP,QMEKCAQHSA,N,"DG(18:3(9Z,12Z,15Z)/22:0/0:0)",DPHWXZLPVJVDLP-QMEKCAQHSA-N
HMDB07319,672.569275542,C43H76O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,41,44H,3-5,7,9-11,13,15-16,20-22,24-40H2,1-2H3/b8-6-,14-12-,19-17-,23-18-/t41-/m0/s1",DBEOEBUOSXYDLR,OBJNFHFWSA,N,"DG(18:3(9Z,12Z,15Z)/22:1(13Z)/0:0)",DBEOEBUOSXYDLR-OBJNFHFWSA-N
HMDB07320,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,41,44H,3-5,7,9-10,15-16,20-22,24-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,23-18-/t41-/m0/s1",BNNRAXXNNFEFAX,KUSRJDHNSA,N,"DG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/0:0)",BNNRAXXNNFEFAX-KUSRJDHNSA-N
HMDB07321,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,41,44H,3-5,7,9-10,15-16,20,24-25,27,29-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-/m0/s1",GDGIKICQQQMUCS,BQSGGISSSA,N,"DG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",GDGIKICQQQMUCS-BQSGGISSSA-N
HMDB07322,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,32,34,41,44H,3-5,7,9-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m0/s1",QHXDXQRTFFOENB,IQEXSWGUSA,N,"DG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",QHXDXQRTFFOENB-IQEXSWGUSA-N
HMDB07323,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,41,44H,3-4,9-10,15-16,20,24-25,27,29-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-/m0/s1",WAENXTSOONTGEU,MMULMDALSA,N,"DG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",WAENXTSOONTGEU-MMULMDALSA-N
HMDB07324,662.491025222,C43H66O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,41,44H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m0/s1",VLUYADZBWJUSNX,CBEILCGKSA,N,"DG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",VLUYADZBWJUSNX-CBEILCGKSA-N
HMDB07325,702.616225734,C45H82O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,43,46H,3-5,7,9-11,13,15-17,19-24,26-42H2,1-2H3/b8-6-,14-12-,25-18-/t43-/m0/s1",BGWJMSIHZCMOFC,AWWKIQITSA,N,"DG(18:3(9Z,12Z,15Z)/24:0/0:0)",BGWJMSIHZCMOFC-AWWKIQITSA-N
HMDB07326,700.60057567,C45H80O5,[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,43,46H,3-5,7,9-11,13,15-16,20-24,26-42H2,1-2H3/b8-6-,14-12-,19-17-,25-18-/t43-/m0/s1",JAFSCIZBDPLYJB,UUNVFPILSA,N,"DG(18:3(9Z,12Z,15Z)/24:1(15Z)/0:0)",JAFSCIZBDPLYJB-UUNVFPILSA-N
HMDB07327,560.44407503,C35H60O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20-21,33,36H,3-4,6,8-10,12,14-15,18-19,22-32H2,1-2H3/b7-5-,13-11-,17-16-,21-20-/t33-/m0/s1",GRZURIVHWBXJGF,QYPGTZQNSA,N,"DG(18:4(6Z,9Z,12Z,15Z)/14:0/0:0)",GRZURIVHWBXJGF-QYPGTZQNSA-N
HMDB07328,558.428424966,C35H58O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C35H58O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,20-21,33,36H,3-4,6,8-9,14-15,18-19,22-32H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,21-20-/t33-/m0/s1",DJPSDNJBZWPDDE,AVTGWHNUSA,N,"DG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/0:0)",DJPSDNJBZWPDDE-AVTGWHNUSA-N
HMDB07329,574.459725094,C36H62O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C36H62O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21-22,34,37H,3-4,6,8-10,12,14-16,19-20,23-33H2,1-2H3/b7-5-,13-11-,18-17-,22-21-/t34-/m0/s1",DQQBTKPFMLVCPZ,SHGZRWORSA,N,"DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)",DQQBTKPFMLVCPZ-SHGZRWORSA-N
HMDB07330,588.475375158,C37H64O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,35,38H,3-4,6,8-10,12,14-16,19-20,22,24-34H2,1-2H3/b7-5-,13-11-,18-17-,23-21-/t35-/m0/s1",CDEBMQMYQOXDIK,ZBKJKIDFSA,N,"DG(18:4(6Z,9Z,12Z,15Z)/16:0/0:0)",CDEBMQMYQOXDIK-ZBKJKIDFSA-N
HMDB07331,586.459725094,C37H62O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,21,23,35,38H,3-4,6,8-10,12,15,19-20,22,24-34H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,23-21-/t35-/m0/s1",VGOGKJZBRRLKDX,IXMHFBOMSA,N,"DG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/0:0)",VGOGKJZBRRLKDX-IXMHFBOMSA-N
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HMDB07337,610.459725094,C39H62O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23,25,37,40H,3-4,9-10,15-16,21-22,24,26-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t37-/m0/s1",RKSUIYABXCMIDT,NSCDTNHQSA,N,"DG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0)",RKSUIYABXCMIDT-NSCDTNHQSA-N
HMDB07338,608.44407503,C39H60O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,37,40H,3-4,9-10,15-16,21-22,27-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-/m0/s1",ZXBDMMYPYQQALX,BJXCJIDGSA,N,"DG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",ZXBDMMYPYQQALX-BJXCJIDGSA-N
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HMDB07340,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,25,27,39,42H,3-5,7,9-11,13,15-16,20,22-24,26,28-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,27-25-/t39-/m0/s1",ZBBDDOJAGFGYPL,AFXYGYGOSA,N,"DG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/0:0)",ZBBDDOJAGFGYPL-AFXYGYGOSA-N
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HMDB07347,672.569275542,C43H76O5,[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,27,29,41,44H,3-5,7,9-11,13,15-17,19-22,24-26,28,30-40H2,1-2H3/b8-6-,14-12-,23-18-,29-27-/t41-/m0/s1",GIMCDLCIXKQLOR,NPZKRYRUSA,N,"DG(18:4(6Z,9Z,12Z,15Z)/22:0/0:0)",GIMCDLCIXKQLOR-NPZKRYRUSA-N
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HMDB07404,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,41,44H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-40H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t41-/m0/s1",KXSTZGDSFQAWPR,KFALEISNSA,N,"DG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",KXSTZGDSFQAWPR-KFALEISNSA-N
HMDB07405,706.647525862,C45H86O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,43,46H,3-17,19,21-42H2,1-2H3/b20-18-/t43-/m0/s1",KKUJWTOLSKTBLP,QGWKGAMHSA,N,DG(20:1(11Z)/22:0/0:0),KKUJWTOLSKTBLP-QGWKGAMHSA-N
HMDB07406,704.631875798,C45H84O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,43,46H,3-16,21-42H2,1-2H3/b19-17-,20-18-/t43-/m0/s1",TXSPVVDGQJIPFG,ALXJKLDESA,N,DG(20:1(11Z)/22:1(13Z)/0:0),TXSPVVDGQJIPFG-ALXJKLDESA-N
HMDB07407,702.616225734,C45H82O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,43,46H,3-10,12,14-16,21-42H2,1-2H3/b13-11-,19-17-,20-18-/t43-/m0/s1",HTJQHHPEPGYSBB,OZXITPPFSA,N,"DG(20:1(11Z)/22:2(13Z,16Z)/0:0)",HTJQHHPEPGYSBB-OZXITPPFSA-N
HMDB07408,698.584925606,C45H78O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,43,46H,3-10,12,14-16,21,23,25-27,29,31-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,30-28-/t43-/m0/s1",AGEDXKMYUUORTP,WDEKTGJKSA,N,"DG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",AGEDXKMYUUORTP-WDEKTGJKSA-N
HMDB07409,696.569275542,C45H76O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,34,36,43,46H,3-10,12,14-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,30-28-,36-34-/t43-/m0/s1",IXQXJHUJJUMUKV,VEVSMCONSA,N,"DG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",IXQXJHUJJUMUKV-VEVSMCONSA-N
HMDB07410,696.569275542,C45H76O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,43,46H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-/t43-/m0/s1",TWCMTRCNZDNRCJ,VLFCHZRNSA,N,"DG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",TWCMTRCNZDNRCJ-VLFCHZRNSA-N
HMDB07411,694.553625478,C45H74O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,34,36,43,46H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,36-34-/t43-/m0/s1",DRIFQOGOCCKIPC,SEGWQOHBSA,N,"DG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",DRIFQOGOCCKIPC-SEGWQOHBSA-N
HMDB07412,734.67882599,C47H90O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,45,48H,3-17,19,21-44H2,1-2H3/b20-18-/t45-/m0/s1",MOPXVXUEFWXBFK,YNNWIYJUSA,N,DG(20:1(11Z)/24:0/0:0),MOPXVXUEFWXBFK-YNNWIYJUSA-N
HMDB07413,732.663175926,C47H88O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-/t45-/m0/s1",DOBBBDWFEQVEFW,DZSRQPACSA,N,DG(20:1(11Z)/24:1(15Z)/0:0),DOBBBDWFEQVEFW-DZSRQPACSA-N
HMDB07414,592.506675286,C37H68O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,35,38H,3-10,12,14-15,18-34H2,1-2H3/b13-11-,17-16-/t35-/m0/s1",IFICCERBULNVSQ,CJZWHCSYSA,N,"DG(20:2(11Z,14Z)/14:0/0:0)",IFICCERBULNVSQ-CJZWHCSYSA-N
HMDB07415,590.491025222,C37H66O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,35,38H,3-9,14-15,18-34H2,1-2H3/b12-10-,13-11-,17-16-/t35-/m0/s1",DWHZDPQGFGYFRB,MJRSHOOBSA,N,"DG(20:2(11Z,14Z)/14:1(9Z)/0:0)",DWHZDPQGFGYFRB-MJRSHOOBSA-N
HMDB07416,606.52232535,C38H70O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,36,39H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-/m0/s1",HDCDNPHAUKTJQG,LCEPSDQBSA,N,"DG(20:2(11Z,14Z)/15:0/0:0)",HDCDNPHAUKTJQG-LCEPSDQBSA-N
HMDB07417,620.537975414,C39H72O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,37,40H,3-10,12,14-16,19-36H2,1-2H3/b13-11-,18-17-/t37-/m0/s1",ZTPAQAJEGRTJEW,PKQDJGPXSA,N,"DG(20:2(11Z,14Z)/16:0/0:0)",ZTPAQAJEGRTJEW-PKQDJGPXSA-N
HMDB07418,618.52232535,C39H70O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,37,40H,3-10,12,15,19-36H2,1-2H3/b13-11-,16-14-,18-17-/t37-/m0/s1",UTOYVHXRVASAFH,YCGDJTGESA,N,"DG(20:2(11Z,14Z)/16:1(9Z)/0:0)",UTOYVHXRVASAFH-YCGDJTGESA-N
HMDB07419,648.569275542,C41H76O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,39,42H,3-10,12,14-16,18,20-38H2,1-2H3/b13-11-,19-17-/t39-/m0/s1",ASDDLJYCZHQDQL,WGYNPVHSSA,N,"DG(20:2(11Z,14Z)/18:0/0:0)",ASDDLJYCZHQDQL-WGYNPVHSSA-N
HMDB07420,646.553625478,C41H74O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,39,42H,3-10,12,15,18,20-38H2,1-2H3/b13-11-,16-14-,19-17-/t39-/m0/s1",BYRYYARNLZHIAF,UEUWINCVSA,N,"DG(20:2(11Z,14Z)/18:1(11Z)/0:0)",BYRYYARNLZHIAF-UEUWINCVSA-N
HMDB07421,646.553625478,C41H74O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21,39,42H,3-10,12,14-16,20,22-38H2,1-2H3/b13-11-,19-17-,21-18-/t39-/m0/s1",FELHZPRYWOUNBS,SMJOZILHSA,N,"DG(20:2(11Z,14Z)/18:1(9Z)/0:0)",FELHZPRYWOUNBS-SMJOZILHSA-N
HMDB07422,644.537975414,C41H72O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,39,42H,3-10,15-16,20,22-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-/t39-/m0/s1",BBYILFLNYJLQDL,ASQXEFDISA,N,"DG(20:2(11Z,14Z)/18:2(9Z,12Z)/0:0)",BBYILFLNYJLQDL-ASQXEFDISA-N
HMDB07423,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,26,28,39,42H,3-10,15-16,20,22-25,27,29-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,28-26-/t39-/m0/s1",WPYUYUFTHKHNOY,RSDWLLFLSA,N,"DG(20:2(11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)",WPYUYUFTHKHNOY-RSDWLLFLSA-N
HMDB07424,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,39,42H,3-5,7,9-10,15-16,20,22-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-/t39-/m0/s1",YPKNZQFRRNHQIM,CNWVQWJYSA,N,"DG(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)",YPKNZQFRRNHQIM-CNWVQWJYSA-N
HMDB07425,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,26,28,39,42H,3-5,7,9-10,15-16,20,22-25,27,29-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,28-26-/t39-/m0/s1",RQXNAJITDPUZBL,ROQBABNZSA,N,"DG(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",RQXNAJITDPUZBL-ROQBABNZSA-N
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HMDB07451,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-23,27,29,39,42H,3-11,13,15-16,20,24-26,28,30-38H2,1-2H3/b14-12-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1",BZNQAJMEFXSIMZ,AVMKZJKISA,N,"DG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/0:0)",BZNQAJMEFXSIMZ-AVMKZJKISA-N
HMDB07452,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-23,26-29,39,42H,3-11,13,15-16,20,24-25,30-38H2,1-2H3/b14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-/m0/s1",XJVAEKAZSPNGNT,CTDJQAONSA,N,"DG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/0:0)",XJVAEKAZSPNGNT-CTDJQAONSA-N
HMDB07453,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-23,27,29,39,42H,3-5,7,9-11,13,15-16,20,24-26,28,30-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1",NNOJOPYWOXKYSG,KTYWMUPWSA,N,"DG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/0:0)",NNOJOPYWOXKYSG-KTYWMUPWSA-N
HMDB07454,638.491025222,C41H66O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-23,26-29,39,42H,3-5,7,9-11,13,15-16,20,24-25,30-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-/m0/s1",ZOXDSQGFSSJSMP,WCNKCIMBSA,N,"DG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",ZOXDSQGFSSJSMP-WCNKCIMBSA-N
HMDB07455,674.584925606,C43H78O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,23,25,29,31,41,44H,3-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b19-17-,25-23-,31-29-/t41-/m0/s1",KTGCASOIGNMUDM,LRJFHYEFSA,N,"DG(20:3(5Z,8Z,11Z)/20:0/0:0)",KTGCASOIGNMUDM-LRJFHYEFSA-N
HMDB07456,672.569275542,C43H76O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23,25,29,31,41,44H,3-16,21-22,24,26-28,30,32-40H2,1-2H3/b19-17-,20-18-,25-23-,31-29-/t41-/m0/s1",JSFIBSBZSNVLIT,KKQWTLIESA,N,"DG(20:3(5Z,8Z,11Z)/20:1(11Z)/0:0)",JSFIBSBZSNVLIT-KKQWTLIESA-N
HMDB07457,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23,25,29,31,41,44H,3-11,13,15-16,21-22,24,26-28,30,32-40H2,1-2H3/b14-12-,19-17-,20-18-,25-23-,31-29-/t41-/m0/s1",VSVITRIWEUGRGY,BGPGRTOXSA,N,"DG(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)/0:0)",VSVITRIWEUGRGY-BGPGRTOXSA-N
HMDB07458,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23-26,29-32,41,44H,3-16,21-22,27-28,33-40H2,1-2H3/b19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1",VIGULOPHPJPIAO,XIUQCZDVSA,N,"DG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/0:0)",VIGULOPHPJPIAO-XIUQCZDVSA-N
HMDB07459,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23-26,29,31,41,44H,3-11,13,15-16,21-22,27-28,30,32-40H2,1-2H3/b14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t41-/m0/s1",CUMKGQFYKIGEIE,SKHAEIFUSA,N,"DG(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)/0:0)",CUMKGQFYKIGEIE-SKHAEIFUSA-N
HMDB07460,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23-26,29-32,41,44H,3-11,13,15-16,21-22,27-28,33-40H2,1-2H3/b14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1",WMBZHTUZIIZBIP,CAFLKJCSSA,N,"DG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",WMBZHTUZIIZBIP-CAFLKJCSSA-N
HMDB07461,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,23-26,29,31,41,44H,3-5,7,9-11,13,15-16,21-22,27-28,30,32-40H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t41-/m0/s1",CWKVHVZKEKWSIB,FYJQDSGBSA,N,"DG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",CWKVHVZKEKWSIB-FYJQDSGBSA-N
HMDB07462,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,23-26,29-32,41,44H,3-5,7,9-11,13,15-16,21-22,27-28,33-40H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1",BEOJBNNSHOSDJK,QSLGLRBXSA,N,"DG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",BEOJBNNSHOSDJK-QSLGLRBXSA-N
HMDB07463,702.616225734,C45H82O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,25,27,31,33,43,46H,3-17,19,21-24,26,28-30,32,34-42H2,1-2H3/b20-18-,27-25-,33-31-/t43-/m0/s1",ZEHUKAZVLGGOII,VTXASNIHSA,N,"DG(20:3(5Z,8Z,11Z)/22:0/0:0)",ZEHUKAZVLGGOII-VTXASNIHSA-N
HMDB07464,700.60057567,C45H80O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,25,27,31,33,43,46H,3-16,21-24,26,28-30,32,34-42H2,1-2H3/b19-17-,20-18-,27-25-,33-31-/t43-/m0/s1",GIVPHQLIWSGNSA,CWDOMWFGSA,N,"DG(20:3(5Z,8Z,11Z)/22:1(13Z)/0:0)",GIVPHQLIWSGNSA-CWDOMWFGSA-N
HMDB07465,698.584925606,C45H78O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,25,27,31,33,43,46H,3-10,12,14-16,21-24,26,28-30,32,34-42H2,1-2H3/b13-11-,19-17-,20-18-,27-25-,33-31-/t43-/m0/s1",KYBNFHHRRWYEHE,NMWOAREWSA,N,"DG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/0:0)",KYBNFHHRRWYEHE-NMWOAREWSA-N
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HMDB07468,692.537975414,C45H72O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24-25,27-28,30-31,33,43,46H,3-4,6,8-10,12,14-16,21,23,26,29,32,34-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t43-/m0/s1",ICJKITKFTKFWBO,GFBKZPHGSA,N,"DG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",ICJKITKFTKFWBO-GFBKZPHGSA-N
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HMDB07471,728.631875798,C47H84O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,27,29,33,35,45,48H,3-16,21-26,28,30-32,34,36-44H2,1-2H3/b19-17-,20-18-,29-27-,35-33-/t45-/m0/s1",RWFDWSSYELPEOP,LBTOYOBNSA,N,"DG(20:3(5Z,8Z,11Z)/24:1(15Z)/0:0)",RWFDWSSYELPEOP-LBTOYOBNSA-N
HMDB07472,590.491025222,C37H66O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,35,38H,3-10,12,14-15,18,21-34H2,1-2H3/b13-11-,17-16-,20-19-/t35-/m0/s1",UENDWBHWDOWHFT,NYBWPXJJSA,N,"DG(20:3(8Z,11Z,14Z)/14:0/0:0)",UENDWBHWDOWHFT-NYBWPXJJSA-N
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HMDB07476,616.506675286,C39H68O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,37,40H,3-10,12,15,19,21,23-36H2,1-2H3/b13-11-,16-14-,18-17-,22-20-/t37-/m0/s1",ZRKUYQAICYSCRR,AMOZTXBCSA,N,"DG(20:3(8Z,11Z,14Z)/16:1(9Z)/0:0)",ZRKUYQAICYSCRR-AMOZTXBCSA-N
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HMDB07479,644.537975414,C41H72O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,39,42H,3-10,12,14-16,20,24-38H2,1-2H3/b13-11-,19-17-,21-18-,23-22-/t39-/m0/s1",CFJYJZFDWFNDQU,OCRNITAESA,N,"DG(20:3(8Z,11Z,14Z)/18:1(9Z)/0:0)",CFJYJZFDWFNDQU-OCRNITAESA-N
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HMDB07482,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,39,42H,3-5,7,9-10,15-16,20,24-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t39-/m0/s1",DEGJUZYBGJWSHM,YDXNJHLSSA,N,"DG(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)",DEGJUZYBGJWSHM-YDXNJHLSSA-N
HMDB07483,638.491025222,C41H66O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,39,42H,3-5,7,9-10,15-16,20,24-25,27,29-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-/m0/s1",UIDGDHJVUXZFLA,QKZIVHPESA,N,"DG(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",UIDGDHJVUXZFLA-QKZIVHPESA-N
HMDB07484,674.584925606,C43H78O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,41,44H,3-10,12,14-16,18,20-22,24,26-40H2,1-2H3/b13-11-,19-17-,25-23-/t41-/m0/s1",HMZMEDWIYTYNQQ,YZBJRYRGSA,N,"DG(20:3(8Z,11Z,14Z)/20:0/0:0)",HMZMEDWIYTYNQQ-YZBJRYRGSA-N
HMDB07485,672.569275542,C43H76O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,41,44H,3-10,12,14-16,21-22,24,26-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-/t41-/m0/s1",RYBURRAWDXPPKP,CHDLVFITSA,N,"DG(20:3(8Z,11Z,14Z)/20:1(11Z)/0:0)",RYBURRAWDXPPKP-CHDLVFITSA-N
HMDB07486,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,41,44H,3-10,15-16,21-22,24,26-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-/t41-/m0/s1",HHXZEPDSGFSCPJ,MXAZPZDMSA,N,"DG(20:3(8Z,11Z,14Z)/20:2(11Z,14Z)/0:0)",HHXZEPDSGFSCPJ-MXAZPZDMSA-N
HMDB07487,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,30,32,41,44H,3-10,12,14-16,21-22,27-29,31,33-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1",LFSURXDQRGYOPC,PWCDXBRGSA,N,"DG(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/0:0)",LFSURXDQRGYOPC-PWCDXBRGSA-N
HMDB07488,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,41,44H,3-10,15-16,21-22,27-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-/m0/s1",KQIYTEYFXBGLOT,MDOXXFDXSA,N,"DG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/0:0)",KQIYTEYFXBGLOT-MDOXXFDXSA-N
HMDB07489,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,30,32,41,44H,3-10,15-16,21-22,27-29,31,33-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1",JDIBHXLLYJNLGX,YWTQTYENSA,N,"DG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",JDIBHXLLYJNLGX-YWTQTYENSA-N
HMDB07490,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,41,44H,3-5,7,9-10,15-16,21-22,27-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-/m0/s1",GCRNNXVAIBLHEH,IHIDHSJOSA,N,"DG(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",GCRNNXVAIBLHEH-IHIDHSJOSA-N
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HMDB07497,692.537975414,C45H72O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,43,46H,3-4,6,8-10,15-16,21,23,26,29,31-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t43-/m0/s1",HPCOHNVJSNKQSE,PXRSSQERSA,N,"DG(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",HPCOHNVJSNKQSE-PXRSSQERSA-N
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HMDB07507,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,27,29,39,42H,3-10,12,15,18,20-21,24-26,28,30-38H2,1-2H3/b13-11-,16-14-,19-17-,23-22-,29-27-/t39-/m0/s1",JUFRUXYUYTWCEP,QISYXKOFSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/0:0)",JUFRUXYUYTWCEP-QISYXKOFSA-N
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HMDB07514,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,41,44H,3-10,12,14-16,21-22,24,26-28,30,32-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-/t41-/m0/s1",BTSLGWIGCLOQRX,NDSSCVKOSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/0:0)",BTSLGWIGCLOQRX-NDSSCVKOSA-N
HMDB07515,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,41,44H,3-10,15-16,21-22,24,26-28,30,32-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t41-/m0/s1",KWNSFYWJPQIBQL,SZDMVCCJSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)/0:0)",KWNSFYWJPQIBQL-SZDMVCCJSA-N
HMDB07516,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,29-32,41,44H,3-10,12,14-16,21-22,27-28,33-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1",IDNWRPMAVMNDGB,HBQIWVRBSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/0:0)",IDNWRPMAVMNDGB-HBQIWVRBSA-N
HMDB07517,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29,31,41,44H,3-10,15-16,21-22,27-28,30,32-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t41-/m0/s1",WZZUIUAEONPKOS,CVOQPVPSSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/0:0)",WZZUIUAEONPKOS-CVOQPVPSSA-N
HMDB07518,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,41,44H,3-10,15-16,21-22,27-28,33-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1",FVXRWZPVZULNCQ,ZPRYGCIXSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",FVXRWZPVZULNCQ-ZPRYGCIXSA-N
HMDB07519,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29,31,41,44H,3-5,7,9-10,15-16,21-22,27-28,30,32-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t41-/m0/s1",LCYFYSRTFUMQTK,XTOXDAHQSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",LCYFYSRTFUMQTK-XTOXDAHQSA-N
HMDB07520,662.491025222,C43H66O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,41,44H,3-5,7,9-10,15-16,21-22,27-28,33-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1",SOTDSRZHXSBCPK,IOUHWUENSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",SOTDSRZHXSBCPK-IOUHWUENSA-N
HMDB07521,700.60057567,C45H80O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,43,46H,3-11,13,15-17,19,21-24,26,28-30,32,34-42H2,1-2H3/b14-12-,20-18-,27-25-,33-31-/t43-/m0/s1",DAABORBMJVTYLX,RQEFIOFBSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/22:0/0:0)",DAABORBMJVTYLX-RQEFIOFBSA-N
HMDB07522,698.584925606,C45H78O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,43,46H,3-11,13,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-/t43-/m0/s1",WKUDUYSSFQLXBQ,IECXURCBSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/0:0)",WKUDUYSSFQLXBQ-IECXURCBSA-N
HMDB07523,696.569275542,C45H76O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,25,27,31,33,43,46H,3-10,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,27-25-,33-31-/t43-/m0/s1",VKEYYLBMEUEXFX,HFPOVAENSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/0:0)",VKEYYLBMEUEXFX-HFPOVAENSA-N
HMDB07524,692.537975414,C45H72O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30-31,33,43,46H,3-10,15-16,21,23,26,29,32,34-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t43-/m0/s1",QLXRTSJYSJPTKX,HZCZZQGESA,N,"DG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",QLXRTSJYSJPTKX-HZCZZQGESA-N
HMDB07525,690.52232535,C45H70O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-10,15-16,21,23,26,29,32,35,37-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t43-/m0/s1",JGRJCDZHLPRXHG,DHCTVBCHSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",JGRJCDZHLPRXHG-DHCTVBCHSA-N
HMDB07526,690.52232535,C45H70O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33,43,46H,3-4,6,8-10,15-16,21,23,26,29,32,34-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t43-/m0/s1",HSKJOLAPTSGCSH,WKAOBNJFSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",HSKJOLAPTSGCSH-WKAOBNJFSA-N
HMDB07527,688.506675286,C45H68O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-4,6,8-10,15-16,21,23,26,29,32,35,37-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t43-/m0/s1",NKWCJWBTGOMXKM,JNFYRXNCSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",NKWCJWBTGOMXKM-JNFYRXNCSA-N
HMDB07528,728.631875798,C47H84O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,33,35,45,48H,3-11,13,15-17,19,21-26,28,30-32,34,36-44H2,1-2H3/b14-12-,20-18-,29-27-,35-33-/t45-/m0/s1",XSGCDKADRTUPJN,VBWBMHQVSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/24:0/0:0)",XSGCDKADRTUPJN-VBWBMHQVSA-N
HMDB07529,726.616225734,C47H82O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,33,35,45,48H,3-11,13,15-16,21-26,28,30-32,34,36-44H2,1-2H3/b14-12-,19-17-,20-18-,29-27-,35-33-/t45-/m0/s1",YFAFVULQEQGYAK,OXGRNNGBSA,N,"DG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0)",YFAFVULQEQGYAK-OXGRNNGBSA-N
HMDB07530,588.475375158,C37H64O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,35,38H,3-4,6,8-10,12,14-15,18,21-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-/t35-/m0/s1",OSJZKMLDRVKCSL,LAOUYMLRSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/14:0/0:0)",OSJZKMLDRVKCSL-LAOUYMLRSA-N
HMDB07531,586.459725094,C37H62O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,35,38H,3-4,6,8-9,14-15,18,21-34H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-/t35-/m0/s1",BAPOEPPAKQZUAY,GVVBUXEXSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/0:0)",BAPOEPPAKQZUAY-GVVBUXEXSA-N
HMDB07532,602.491025222,C38H66O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,36,39H,3-4,6,8-10,12,14-16,19,22-35H2,1-2H3/b7-5-,13-11-,18-17-,21-20-/t36-/m0/s1",FREHMCALCYKHTM,YHONUFPPSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/15:0/0:0)",FREHMCALCYKHTM-YHONUFPPSA-N
HMDB07533,616.506675286,C39H68O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,37,40H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-/t37-/m0/s1",MEUZVHWHERKKNA,MILDWRPISA,N,"DG(20:4(8Z,11Z,14Z,17Z)/16:0/0:0)",MEUZVHWHERKKNA-MILDWRPISA-N
HMDB07534,614.491025222,C39H66O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,37,40H,3-4,6,8-10,12,15,19,21,23-36H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,22-20-/t37-/m0/s1",ZNGGGMQOPKOZLZ,YGFCVJAISA,N,"DG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/0:0)",ZNGGGMQOPKOZLZ-YGFCVJAISA-N
HMDB07535,644.537975414,C41H72O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,39,42H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3/b7-5-,13-11-,19-17-,23-22-/t39-/m0/s1",WGGPVIRCYGIRPH,XHATVUSISA,N,"DG(20:4(8Z,11Z,14Z,17Z)/18:0/0:0)",WGGPVIRCYGIRPH-XHATVUSISA-N
HMDB07536,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,39,42H,3-4,6,8-10,12,15,18,20-21,24-38H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,23-22-/t39-/m0/s1",UOOVTLWGFPLTTE,CNEYRVONSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/0:0)",UOOVTLWGFPLTTE-CNEYRVONSA-N
HMDB07537,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,39,42H,3-4,6,8-10,12,14-16,20,24-38H2,1-2H3/b7-5-,13-11-,19-17-,21-18-,23-22-/t39-/m0/s1",RIIMVWRPHMOXFG,KGCWUKPLSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/0:0)",RIIMVWRPHMOXFG-KGCWUKPLSA-N
HMDB07538,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,39,42H,3-4,6,8-10,15-16,20,24-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-/t39-/m0/s1",HOAWEJZWXPKSQB,WJVKJRFCSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/0:0)",HOAWEJZWXPKSQB-WJVKJRFCSA-N
HMDB07539,638.491025222,C41H66O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,39,42H,3-4,6,8-10,15-16,20,24-25,27,29-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-/m0/s1",SMAFFHMVYFWNBR,ZPZOCQMSSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/0:0)",SMAFFHMVYFWNBR-ZPZOCQMSSA-N
HMDB07540,638.491025222,C41H66O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,39,42H,3-4,9-10,15-16,20,24-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t39-/m0/s1",CSDZCNPUYBKFSO,JBMOLENJSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/0:0)",CSDZCNPUYBKFSO-JBMOLENJSA-N
HMDB07541,636.475375158,C41H64O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,39,42H,3-4,9-10,15-16,20,24-25,27,29-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-/m0/s1",PXGZXCQVXOVJGE,IEYGHFGFSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",PXGZXCQVXOVJGE-IEYGHFGFSA-N
HMDB07542,672.569275542,C43H76O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,41,44H,3-4,6,8-10,12,14-16,18,20-22,24,26-40H2,1-2H3/b7-5-,13-11-,19-17-,25-23-/t41-/m0/s1",SFRAHICJPYFBTH,ANMDJUIDSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/20:0/0:0)",SFRAHICJPYFBTH-ANMDJUIDSA-N
HMDB07543,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,41,44H,3-4,6,8-10,12,14-16,21-22,24,26-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-/t41-/m0/s1",UCEIHNHHMYDTNZ,GHHPGRLNSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/0:0)",UCEIHNHHMYDTNZ-GHHPGRLNSA-N
HMDB07544,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,41,44H,3-4,6,8-10,15-16,21-22,24,26-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-/t41-/m0/s1",CMOADEJDYGMJFA,WUIAEINNSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/0:0)",CMOADEJDYGMJFA-WUIAEINNSA-N
HMDB07545,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,30,32,41,44H,3-4,6,8-10,12,14-16,21-22,27-29,31,33-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1",JVDNJGFTEDUUFZ,BLLDRTOQSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/0:0)",JVDNJGFTEDUUFZ-BLLDRTOQSA-N
HMDB07546,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,41,44H,3-4,6,8-10,15-16,21-22,27-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-/m0/s1",GZHWEZNKMRNQRJ,GJPFLTJYSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/0:0)",GZHWEZNKMRNQRJ-GJPFLTJYSA-N
HMDB07547,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,30,32,41,44H,3-4,6,8-10,15-16,21-22,27-29,31,33-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1",XWKRZLDVWUXXJW,VANPREPPSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",XWKRZLDVWUXXJW-VANPREPPSA-N
HMDB07548,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,41,44H,3-4,9-10,15-16,21-22,27-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-/m0/s1",XZUKUQGHWPETKI,ZBLQTDEHSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",XZUKUQGHWPETKI-ZBLQTDEHSA-N
HMDB07549,662.491025222,C43H66O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,30,32,41,44H,3-4,9-10,15-16,21-22,27-29,31,33-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1",FSGLSWZWGRJDEF,BCKDVIJWSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",FSGLSWZWGRJDEF-BCKDVIJWSA-N
HMDB07550,700.60057567,C45H80O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,43,46H,3-5,7,9-11,13,15-17,19,21-24,26,28-42H2,1-2H3/b8-6-,14-12-,20-18-,27-25-/t43-/m0/s1",WVOUKCXPAOBTMU,KWVLUJTGSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/22:0/0:0)",WVOUKCXPAOBTMU-KWVLUJTGSA-N
HMDB07551,698.584925606,C45H78O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,43,46H,3-5,7,9-11,13,15-16,21-24,26,28-42H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-/t43-/m0/s1",PGYSGDSNGIWYKO,BEDCZJCRSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/0:0)",PGYSGDSNGIWYKO-BEDCZJCRSA-N
HMDB07552,696.569275542,C45H76O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,25,27,43,46H,3-5,7,9-10,15-16,21-24,26,28-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-/t43-/m0/s1",MLGAFQRLFGKXFV,CHALZTAYSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/0:0)",MLGAFQRLFGKXFV-CHALZTAYSA-N
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HMDB07554,690.52232535,C45H70O5,[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30,34,36,43,46H,3-5,7,9-10,15-16,21,23,26,29,31-33,35,37-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t43-/m0/s1",PGJUXLOMVCPELB,QVWQVYLSSA,N,"DG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",PGJUXLOMVCPELB-QVWQVYLSSA-N
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HMDB07569,636.475375158,C41H64O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,27,29,39,42H,3-4,9-10,15-16,20,24-26,28,30-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1",VYXDPJIPBNGWCQ,RYDHPHPFSA,N,"DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/0:0)",VYXDPJIPBNGWCQ-RYDHPHPFSA-N
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HMDB07572,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,41,44H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t41-/m0/s1",HPTHPDWEVHVEGM,GJSVQJKPSA,N,"DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/0:0)",HPTHPDWEVHVEGM-GJSVQJKPSA-N
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HMDB07578,660.475375158,C43H64O5,[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,41,44H,3-4,9-10,15-16,21-22,27-28,33-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1",JHFHIXGYPUDQSZ,TUACLRHISA,N,"DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",JHFHIXGYPUDQSZ-TUACLRHISA-N
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HMDB07588,624.569275542,C39H76O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1",GPTYHEUZPNNEAA,QNGWXLTQSA,N,DG(22:0/14:0/0:0),GPTYHEUZPNNEAA-QNGWXLTQSA-N
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HMDB07591,652.60057567,C41H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m0/s1",IQNYOCFHHRCMKY,KDXMTYKHSA,N,DG(22:0/16:0/0:0),IQNYOCFHHRCMKY-KDXMTYKHSA-N
HMDB07592,650.584925606,C41H78O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h14,16,39,42H,3-13,15,17-38H2,1-2H3/b16-14-/t39-/m0/s1",QRZOVPVPADACPO,QZEPCWIRSA,N,DG(22:0/16:1(9Z)/0:0),QRZOVPVPADACPO-QZEPCWIRSA-N
HMDB07593,680.631875798,C43H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m0/s1",LRICPHWEMRWZJP,RWYGWLOXSA,N,DG(22:0/18:0/0:0),LRICPHWEMRWZJP-RWYGWLOXSA-N
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HMDB07608,736.694476054,C47H92O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3/t45-/m0/s1",GNWCZBXSKIIURR,GWHBCOKCSA,N,DG(22:0/22:0/0:0),GNWCZBXSKIIURR-GWHBCOKCSA-N
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HMDB07610,732.663175926,C47H88O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,45,48H,3-11,13,15-17,19,21-44H2,1-2H3/b14-12-,20-18-/t45-/m0/s1",XIMNXKOUCJXPFV,LGJUANINSA,N,"DG(22:0/22:2(13Z,16Z)/0:0)",XIMNXKOUCJXPFV-LGJUANINSA-N
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HMDB07622,678.616225734,C43H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17,19,41,44H,3-16,18,20-40H2,1-2H3/b19-17-/t41-/m0/s1",ODXFWOQBVSTXMW,AYBFMUQTSA,N,DG(22:1(13Z)/18:0/0:0),ODXFWOQBVSTXMW-AYBFMUQTSA-N
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HMDB07624,676.60057567,C43H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17-19,23,41,44H,3-16,20-22,24-40H2,1-2H3/b19-17-,23-18-/t41-/m0/s1",ZSDJPWLPUODTSR,YHSFMADTSA,N,DG(22:1(13Z)/18:1(9Z)/0:0),ZSDJPWLPUODTSR-YHSFMADTSA-N
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HMDB07630,704.631875798,C45H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h17-20,43,46H,3-16,21-42H2,1-2H3/b19-17-,20-18-/t43-/m0/s1",LPOXRQDISISWAO,ALXJKLDESA,N,DG(22:1(13Z)/20:1(11Z)/0:0),LPOXRQDISISWAO-ALXJKLDESA-N
HMDB07631,702.616225734,C45H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,43,46H,3-11,13,15-16,21-42H2,1-2H3/b14-12-,19-17-,20-18-/t43-/m0/s1",IMYDWSPTMQPKNA,MOUXKHRQSA,N,"DG(22:1(13Z)/20:2(11Z,14Z)/0:0)",IMYDWSPTMQPKNA-MOUXKHRQSA-N
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HMDB07634,698.584925606,C45H78O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,26,28,32,34,43,46H,3-11,13,15-16,21-25,27,29-31,33,35-42H2,1-2H3/b14-12-,19-17-,20-18-,28-26-,34-32-/t43-/m0/s1",NAXUBVIBDUEDCM,SRDFGLELSA,N,"DG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",NAXUBVIBDUEDCM-SRDFGLELSA-N
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HMDB07636,696.569275542,C45H76O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,26,28,32,34,43,46H,3-5,7,9-11,13,15-16,21-25,27,29-31,33,35-42H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,28-26-,34-32-/t43-/m0/s1",GKRFILQQEMYZNY,RJLHULJJSA,N,"DG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",GKRFILQQEMYZNY-RJLHULJJSA-N
HMDB07637,734.67882599,C47H90O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,45,48H,3-16,18,20-44H2,1-2H3/b19-17-/t45-/m0/s1",MSVFLQFHJISSLU,KMZFKOFHSA,N,DG(22:1(13Z)/22:0/0:0),MSVFLQFHJISSLU-KMZFKOFHSA-N
HMDB07638,732.663175926,C47H88O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-/t45-/m0/s1",FZERQYTVWAKJPN,DZSRQPACSA,N,DG(22:1(13Z)/22:1(13Z)/0:0),FZERQYTVWAKJPN-DZSRQPACSA-N
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HMDB07647,618.52232535,C39H70O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,37,40H,3-9,14-15,18-36H2,1-2H3/b12-10-,13-11-,17-16-/t37-/m0/s1",XMQZLKOQIZBZII,VXBBTDFSSA,N,"DG(22:2(13Z,16Z)/14:1(9Z)/0:0)",XMQZLKOQIZBZII-VXBBTDFSSA-N
HMDB07648,634.553625478,C40H74O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,38,41H,3-10,12,14-16,19-37H2,1-2H3/b13-11-,18-17-/t38-/m0/s1",NOIXGTVWSDDNLG,OCTDRQCNSA,N,"DG(22:2(13Z,16Z)/15:0/0:0)",NOIXGTVWSDDNLG-OCTDRQCNSA-N
HMDB07649,648.569275542,C41H76O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42H,3-10,12,14-16,19-38H2,1-2H3/b13-11-,18-17-/t39-/m0/s1",UBTDFTXXEMBGHF,QIXAIMDBSA,N,"DG(22:2(13Z,16Z)/16:0/0:0)",UBTDFTXXEMBGHF-QIXAIMDBSA-N
HMDB07650,646.553625478,C41H74O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,39,42H,3-10,12,15,19-38H2,1-2H3/b13-11-,16-14-,18-17-/t39-/m0/s1",ZWNSQXDCOSRUMS,VWMWQVQRSA,N,"DG(22:2(13Z,16Z)/16:1(9Z)/0:0)",ZWNSQXDCOSRUMS-VWMWQVQRSA-N
HMDB07651,676.60057567,C43H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,41,44H,3-10,12,14-16,18,20-40H2,1-2H3/b13-11-,19-17-/t41-/m0/s1",HLTCNLGEQGEBQU,CMFLVMKTSA,N,"DG(22:2(13Z,16Z)/18:0/0:0)",HLTCNLGEQGEBQU-CMFLVMKTSA-N
HMDB07652,674.584925606,C43H78O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,41,44H,3-10,12,15,18,20-40H2,1-2H3/b13-11-,16-14-,19-17-/t41-/m0/s1",MHPCDUWJHJFMPG,DGEULWQDSA,N,"DG(22:2(13Z,16Z)/18:1(11Z)/0:0)",MHPCDUWJHJFMPG-DGEULWQDSA-N
HMDB07653,674.584925606,C43H78O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,23,41,44H,3-10,12,14-16,20-22,24-40H2,1-2H3/b13-11-,19-17-,23-18-/t41-/m0/s1",VRYOUAKNIMAVRE,NCUUJOFOSA,N,"DG(22:2(13Z,16Z)/18:1(9Z)/0:0)",VRYOUAKNIMAVRE-NCUUJOFOSA-N
HMDB07654,672.569275542,C43H76O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44H,3-10,15-16,20-22,24-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-/t41-/m0/s1",HCTGXWJRDDNPHS,AFRYFLNXSA,N,"DG(22:2(13Z,16Z)/18:2(9Z,12Z)/0:0)",HCTGXWJRDDNPHS-AFRYFLNXSA-N
HMDB07655,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,28,30,41,44H,3-10,15-16,20-22,24-27,29,31-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-,30-28-/t41-/m0/s1",RQWLSMTYYCMIJQ,GHKLHFTNSA,N,"DG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/0:0)",RQWLSMTYYCMIJQ-GHKLHFTNSA-N
HMDB07656,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,41,44H,3-5,7,9-10,15-16,20-22,24-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,23-18-/t41-/m0/s1",KVDLGXAZPYNPJG,KUSRJDHNSA,N,"DG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/0:0)",KVDLGXAZPYNPJG-KUSRJDHNSA-N
HMDB07657,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,28,30,41,44H,3-5,7,9-10,15-16,20-22,24-27,29,31-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,23-18-,30-28-/t41-/m0/s1",IJQJNLWIGQWLKJ,DOIMQTEOSA,N,"DG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",IJQJNLWIGQWLKJ-DOIMQTEOSA-N
HMDB07658,704.631875798,C45H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,43,46H,3-10,12,14-16,18,20-42H2,1-2H3/b13-11-,19-17-/t43-/m0/s1",MNVXTBRMFRLIBV,SLORSEGHSA,N,"DG(22:2(13Z,16Z)/20:0/0:0)",MNVXTBRMFRLIBV-SLORSEGHSA-N
HMDB07659,702.616225734,C45H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,43,46H,3-10,12,14-16,21-42H2,1-2H3/b13-11-,19-17-,20-18-/t43-/m0/s1",HHGJOLCZJPPCNB,OZXITPPFSA,N,"DG(22:2(13Z,16Z)/20:1(11Z)/0:0)",HHGJOLCZJPPCNB-OZXITPPFSA-N
HMDB07660,700.60057567,C45H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,43,46H,3-10,15-16,21-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t43-/m0/s1",LLLBPUHEROWIPK,ILFLBGHUSA,N,"DG(22:2(13Z,16Z)/20:2(11Z,14Z)/0:0)",LLLBPUHEROWIPK-ILFLBGHUSA-N
HMDB07661,698.584925606,C45H78O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,26,28,32,34,43,46H,3-10,12,14-16,21-25,27,29-31,33,35-42H2,1-2H3/b13-11-,19-17-,20-18-,28-26-,34-32-/t43-/m0/s1",MXRFXWANZVDNEF,CCQPDRAUSA,N,"DG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)",MXRFXWANZVDNEF-CCQPDRAUSA-N
HMDB07662,698.584925606,C45H78O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,26,28,43,46H,3-10,15-16,21-25,27,29-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,28-26-/t43-/m0/s1",WPCQHKJLZMDRCC,SVQDOIIKSA,N,"DG(22:2(13Z,16Z)/20:3(8Z,11Z,14Z)/0:0)",WPCQHKJLZMDRCC-SVQDOIIKSA-N
HMDB07663,696.569275542,C45H76O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,26,28,32,34,43,46H,3-10,15-16,21-25,27,29-31,33,35-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t43-/m0/s1",GOFQQJYVBCMMJP,NRRIDDAASA,N,"DG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",GOFQQJYVBCMMJP-NRRIDDAASA-N
HMDB07664,696.569275542,C45H76O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,43,46H,3-5,7,9-10,15-16,21-25,27,29-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-/t43-/m0/s1",BNUNGIKKBWIWMY,LOGITKRASA,N,"DG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",BNUNGIKKBWIWMY-LOGITKRASA-N
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HMDB07666,732.663175926,C47H88O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,45,48H,3-10,12,14-16,18,20-44H2,1-2H3/b13-11-,19-17-/t45-/m0/s1",SYRTYSWKAWYGTF,SGKUFLSRSA,N,"DG(22:2(13Z,16Z)/22:0/0:0)",SYRTYSWKAWYGTF-SGKUFLSRSA-N
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HMDB07668,728.631875798,C47H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45,48H,3-10,15-16,21-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t45-/m0/s1",SCVNSJLHAHBZQT,TWWVEEIUSA,N,"DG(22:2(13Z,16Z)/22:2(13Z,16Z)/0:0)",SCVNSJLHAHBZQT-TWWVEEIUSA-N
HMDB07669,724.60057567,C47H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,45,48H,3-10,15-16,21-23,25,27-29,31,33-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t45-/m0/s1",ZCSNYIFMHKELAC,PWZZXBAASA,N,"DG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",ZCSNYIFMHKELAC-PWZZXBAASA-N
HMDB07670,722.584925606,C47H78O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,36,38,45,48H,3-10,15-16,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t45-/m0/s1",WQCGJEYJCWPUNB,JQABRDIGSA,N,"DG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",WQCGJEYJCWPUNB-JQABRDIGSA-N
HMDB07671,722.584925606,C47H78O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,45,48H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t45-/m0/s1",HMSOTOZJTJGHII,VGDKDAIESA,N,"DG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",HMSOTOZJTJGHII-VGDKDAIESA-N
HMDB07672,720.569275542,C47H76O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,36,38,45,48H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t45-/m0/s1",LXRBEUSCWZBMKX,IAGGVCRSSA,N,"DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",LXRBEUSCWZBMKX-IAGGVCRSSA-N
HMDB07673,760.694476054,C49H92O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47,50H,3-11,13,15-17,19,21-46H2,1-2H3/b14-12-,20-18-/t47-/m0/s1",VETMDRWCBLHRIH,XVFQAYOKSA,N,"DG(22:2(13Z,16Z)/24:0/0:0)",VETMDRWCBLHRIH-XVFQAYOKSA-N
HMDB07674,758.67882599,C49H90O5,[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47,50H,3-11,13,15-16,21-46H2,1-2H3/b14-12-,19-17-,20-18-/t47-/m0/s1",OZXKRESLHSIBQY,QUSLOAQQSA,N,"DG(22:2(13Z,16Z)/24:1(15Z)/0:0)",OZXKRESLHSIBQY-QUSLOAQQSA-N
HMDB07675,616.506675286,C39H68O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,37,40H,3-10,12,14-15,18,21,23,25-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-/t37-/m0/s1",QBGBPUQBBPKIMB,QILILDRISA,N,"DG(22:4(7Z,10Z,13Z,16Z)/14:0/0:0)",QBGBPUQBBPKIMB-QILILDRISA-N
HMDB07676,614.491025222,C39H66O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,37,40H,3-9,14-15,18,21,23,25-36H2,1-2H3/b12-10-,13-11-,17-16-,20-19-,24-22-/t37-/m0/s1",XFHLWLAUVLOPFQ,ADJKREHHSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/0:0)",XFHLWLAUVLOPFQ-ADJKREHHSA-N
HMDB07677,630.52232535,C40H70O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,38,41H,3-10,12,14-16,19,22,24,26-37H2,1-2H3/b13-11-,18-17-,21-20-,25-23-/t38-/m0/s1",YOALJBLITWFXRW,WEDIAHCFSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/15:0/0:0)",YOALJBLITWFXRW-WEDIAHCFSA-N
HMDB07678,644.537975414,C41H72O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,39,42H,3-10,12,14-16,19,22-23,26-38H2,1-2H3/b13-11-,18-17-,21-20-,25-24-/t39-/m0/s1",GWNXFBACTYTMFR,HCAHGFDZSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/16:0/0:0)",GWNXFBACTYTMFR-HCAHGFDZSA-N
HMDB07679,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24-25,39,42H,3-10,12,15,19,22-23,26-38H2,1-2H3/b13-11-,16-14-,18-17-,21-20-,25-24-/t39-/m0/s1",IZRHMCUTZWGDJC,ZLRBFKGLSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/0:0)",IZRHMCUTZWGDJC-ZLRBFKGLSA-N
HMDB07680,672.569275542,C43H76O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,41,44H,3-10,12,14-16,18,20,23-24,26,28-40H2,1-2H3/b13-11-,19-17-,22-21-,27-25-/t41-/m0/s1",ILHWYNVBJNFYEM,ZXGMNUQFSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/18:0/0:0)",ILHWYNVBJNFYEM-ZXGMNUQFSA-N
HMDB07681,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,25,27,41,44H,3-10,12,15,18,20,23-24,26,28-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,27-25-/t41-/m0/s1",FCHJOJAVIATUSR,LPUGRBTCSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/0:0)",FCHJOJAVIATUSR-LPUGRBTCSA-N
HMDB07682,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,25,27,41,44H,3-10,12,14-16,20,24,26,28-40H2,1-2H3/b13-11-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1",UWHGFSHXNNIITD,PJPPLWEJSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/0:0)",UWHGFSHXNNIITD-PJPPLWEJSA-N
HMDB07683,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27,41,44H,3-10,15-16,20,24,26,28-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1",PAEBSLIJYHGPGF,QBNBIVAASA,N,"DG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/0:0)",PAEBSLIJYHGPGF-QBNBIVAASA-N
HMDB07684,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27-28,30,41,44H,3-10,15-16,20,24,26,29,31-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t41-/m0/s1",ICNDZMSZWNYUNY,OQBVMXLYSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/0:0)",ICNDZMSZWNYUNY-OQBVMXLYSA-N
HMDB07685,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27,41,44H,3-5,7,9-10,15-16,20,24,26,28-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1",NZTQSONEKNVKON,QWXAMJRVSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/0:0)",NZTQSONEKNVKON-QWXAMJRVSA-N
HMDB07686,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27-28,30,41,44H,3-5,7,9-10,15-16,20,24,26,29,31-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t41-/m0/s1",PNMCUHZHBDNJSF,YCHKYBIISA,N,"DG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",PNMCUHZHBDNJSF-YCHKYBIISA-N
HMDB07687,700.60057567,C45H80O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,27,29,43,46H,3-10,12,14-16,18,20-21,23,25-26,28,30-42H2,1-2H3/b13-11-,19-17-,24-22-,29-27-/t43-/m0/s1",GJKOXMNPENCXLG,ASGYKGIISA,N,"DG(22:4(7Z,10Z,13Z,16Z)/20:0/0:0)",GJKOXMNPENCXLG-ASGYKGIISA-N
HMDB07688,698.584925606,C45H78O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,27,29,43,46H,3-10,12,14-16,21,23,25-26,28,30-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,29-27-/t43-/m0/s1",NLMKZTCCTRLERF,DWWIKOPFSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/0:0)",NLMKZTCCTRLERF-DWWIKOPFSA-N
HMDB07689,696.569275542,C45H76O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,27,29,43,46H,3-10,15-16,21,23,25-26,28,30-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t43-/m0/s1",VECKEBHJYOVSDY,XOAJDLJMSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0)",VECKEBHJYOVSDY-XOAJDLJMSA-N
HMDB07690,694.553625478,C45H74O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,26-29,32,34,43,46H,3-10,12,14-16,21,23,25,30-31,33,35-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1",RLYQGRIPFCVXAU,KBNOFZCVSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)",RLYQGRIPFCVXAU-KBNOFZCVSA-N
HMDB07691,694.553625478,C45H74O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,43,46H,3-10,15-16,21,23,25,30-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t43-/m0/s1",JLODLARTQTZREE,BJJXPDNKSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)/0:0)",JLODLARTQTZREE-BJJXPDNKSA-N
HMDB07692,692.537975414,C45H72O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,32,34,43,46H,3-10,15-16,21,23,25,30-31,33,35-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1",RNUKNDNZAJCKPR,VPKNLMFRSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",RNUKNDNZAJCKPR-VPKNLMFRSA-N
HMDB07693,692.537975414,C45H72O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,43,46H,3-5,7,9-10,15-16,21,23,25,30-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t43-/m0/s1",WCTSYJVNEWJSFQ,ZXPPINFBSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",WCTSYJVNEWJSFQ-ZXPPINFBSA-N
HMDB07694,690.52232535,C45H70O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,32,34,43,46H,3-5,7,9-10,15-16,21,23,25,30-31,33,35-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1",VIRXARQKAPMXCN,UEPTZLNASA,N,"DG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",VIRXARQKAPMXCN-UEPTZLNASA-N
HMDB07695,728.631875798,C47H84O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,45,48H,3-10,12,14-16,18,20-22,24,26-28,30,32-44H2,1-2H3/b13-11-,19-17-,25-23-,31-29-/t45-/m0/s1",PYYXVNXFDGGUSU,GSZVSBQJSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/22:0/0:0)",PYYXVNXFDGGUSU-GSZVSBQJSA-N
HMDB07696,726.616225734,C47H82O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,45,48H,3-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1",GZHQOXVWBBPIJC,UAXRITQPSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/0:0)",GZHQOXVWBBPIJC-UAXRITQPSA-N
HMDB07697,724.60057567,C47H80O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,45,48H,3-10,15-16,21-22,24,26-28,30,32-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1",FIBVGNIJNOZDGP,RQDIHWOKSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)",FIBVGNIJNOZDGP-RQDIHWOKSA-N
HMDB07698,720.569275542,C47H76O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,45,48H,3-10,15-16,21-22,27-28,33-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t45-/m0/s1",HHYKAFPKWFOYAT,AWFPJDAOSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",HHYKAFPKWFOYAT-AWFPJDAOSA-N
HMDB07699,718.553625478,C47H74O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,36,38,45,48H,3-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t45-/m0/s1",FQUKNXCOHOIKOL,IGBKIXHZSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",FQUKNXCOHOIKOL-IGBKIXHZSA-N
HMDB07700,718.553625478,C47H74O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,45,48H,3-5,7,9-10,15-16,21-22,27-28,33-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t45-/m0/s1",XQQKDKHTRQINKI,PXLKIAQJSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",XQQKDKHTRQINKI-PXLKIAQJSA-N
HMDB07701,716.537975414,C47H72O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,36,38,45,48H,3-5,7,9-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t45-/m0/s1",FTTXVMBLPYECRE,GUCJRDQASA,N,"DG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",FTTXVMBLPYECRE-GUCJRDQASA-N
HMDB07702,756.663175926,C49H88O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,47,50H,3-11,13,15-17,19,21-24,26,28-30,32,34-46H2,1-2H3/b14-12-,20-18-,27-25-,33-31-/t47-/m0/s1",JTRQUZDNVIYNEW,OJSYVTGYSA,N,"DG(22:4(7Z,10Z,13Z,16Z)/24:0/0:0)",JTRQUZDNVIYNEW-OJSYVTGYSA-N
HMDB07703,754.647525862,C49H86O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,47,50H,3-11,13,15-16,21-24,26,28-30,32,34-46H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-/t47-/m0/s1",ORQQQVNVQNDAHD,URCYLVSASA,N,"DG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/0:0)",ORQQQVNVQNDAHD-URCYLVSASA-N
HMDB07704,614.491025222,C39H66O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,27,29,37,40H,3-10,12,14-15,18,21,23,25-26,28,30-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-,29-27-/t37-/m0/s1",VQVOIPHXRHXGBT,VZVMZLABSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/0:0)",VQVOIPHXRHXGBT-VZVMZLABSA-N
HMDB07705,612.475375158,C39H64O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,27,29,37,40H,3-9,14-15,18,21,23,25-26,28,30-36H2,1-2H3/b12-10-,13-11-,17-16-,20-19-,24-22-,29-27-/t37-/m0/s1",YDNAPGXYBAGJKV,VXKKMQCUSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/0:0)",YDNAPGXYBAGJKV-VXKKMQCUSA-N
HMDB07706,628.506675286,C40H68O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,28,30,38,41H,3-10,12,14-16,19,22,24,26-27,29,31-37H2,1-2H3/b13-11-,18-17-,21-20-,25-23-,30-28-/t38-/m0/s1",MFUZLCKTCGRZIB,RBJSXUBZSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/0:0)",MFUZLCKTCGRZIB-RBJSXUBZSA-N
HMDB07707,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,29,31,39,42H,3-10,12,14-16,19,22-23,26-28,30,32-38H2,1-2H3/b13-11-,18-17-,21-20-,25-24-,31-29-/t39-/m0/s1",BKMYQEAEUFOEQK,XLFMNSAVSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/0:0)",BKMYQEAEUFOEQK-XLFMNSAVSA-N
HMDB07708,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24-25,29,31,39,42H,3-10,12,15,19,22-23,26-28,30,32-38H2,1-2H3/b13-11-,16-14-,18-17-,21-20-,25-24-,31-29-/t39-/m0/s1",AOLGRWFYCNPHAV,CZQFILTPSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/0:0)",AOLGRWFYCNPHAV-CZQFILTPSA-N
HMDB07709,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,31,33,41,44H,3-10,12,14-16,18,20,23-24,26,28-30,32,34-40H2,1-2H3/b13-11-,19-17-,22-21-,27-25-,33-31-/t41-/m0/s1",PXCOILRYJJUSSX,UEJLDPQRSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/0:0)",PXCOILRYJJUSSX-UEJLDPQRSA-N
HMDB07710,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,25,27,31,33,41,44H,3-10,12,15,18,20,23-24,26,28-30,32,34-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,27-25-,33-31-/t41-/m0/s1",VMCYQHGROWEMCZ,AWRAWGKASA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/0:0)",VMCYQHGROWEMCZ-AWRAWGKASA-N
HMDB07711,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,25,27,31,33,41,44H,3-10,12,14-16,20,24,26,28-30,32,34-40H2,1-2H3/b13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1",NNQANODPBJKCJM,OOERVMSXSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/0:0)",NNQANODPBJKCJM-OOERVMSXSA-N
HMDB07712,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27,31,33,41,44H,3-10,15-16,20,24,26,28-30,32,34-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1",JRWYXGSAPUEGDE,FAUBTCNBSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/0:0)",JRWYXGSAPUEGDE-FAUBTCNBSA-N
HMDB07713,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27-28,30-31,33,41,44H,3-10,15-16,20,24,26,29,32,34-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t41-/m0/s1",QJILYSBCULYPGO,OUKDIYLQSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/0:0)",QJILYSBCULYPGO-OUKDIYLQSA-N
HMDB07714,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27,31,33,41,44H,3-5,7,9-10,15-16,20,24,26,28-30,32,34-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1",GGSXFTRNBIPHPD,YWBAUMMQSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/0:0)",GGSXFTRNBIPHPD-YWBAUMMQSA-N
HMDB07715,662.491025222,C43H66O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27-28,30-31,33,41,44H,3-5,7,9-10,15-16,20,24,26,29,32,34-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t41-/m0/s1",GZBVGLNVBKBGBN,GXEFRPLRSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",GZBVGLNVBKBGBN-GXEFRPLRSA-N
HMDB07716,698.584925606,C45H78O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,27,29,33,35,43,46H,3-10,12,14-16,18,20-21,23,25-26,28,30-32,34,36-42H2,1-2H3/b13-11-,19-17-,24-22-,29-27-,35-33-/t43-/m0/s1",KTDOHXGXGMQCPN,ZPXNQLEDSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/0:0)",KTDOHXGXGMQCPN-ZPXNQLEDSA-N
HMDB07717,696.569275542,C45H76O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,27,29,33,35,43,46H,3-10,12,14-16,21,23,25-26,28,30-32,34,36-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,29-27-,35-33-/t43-/m0/s1",WNUNKABSNHKCKL,VLFUWYQTSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/0:0)",WNUNKABSNHKCKL-VLFUWYQTSA-N
HMDB07718,694.553625478,C45H74O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,27,29,33,35,43,46H,3-10,15-16,21,23,25-26,28,30-32,34,36-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,29-27-,35-33-/t43-/m0/s1",GMNGPJPLRQWREJ,OWSBRRQISA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0)",GMNGPJPLRQWREJ-OWSBRRQISA-N
HMDB07719,692.537975414,C45H72O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,26-29,32-35,43,46H,3-10,12,14-16,21,23,25,30-31,36-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1",ZVXBKFOBOPNVGN,IIJIJCFRSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)",ZVXBKFOBOPNVGN-IIJIJCFRSA-N
HMDB07720,692.537975414,C45H72O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,33,35,43,46H,3-10,15-16,21,23,25,30-32,34,36-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t43-/m0/s1",VSPFGLLIEGIXNL,LOXZZQGFSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)/0:0)",VSPFGLLIEGIXNL-LOXZZQGFSA-N
HMDB07721,690.52232535,C45H70O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,32-35,43,46H,3-10,15-16,21,23,25,30-31,36-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1",OPRMIEHWNNHGAY,XWPHQUOJSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",OPRMIEHWNNHGAY-XWPHQUOJSA-N
HMDB07722,690.52232535,C45H70O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,33,35,43,46H,3-5,7,9-10,15-16,21,23,25,30-32,34,36-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t43-/m0/s1",CTFURDUJZWDHTR,BAOLMIDPSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",CTFURDUJZWDHTR-BAOLMIDPSA-N
HMDB07723,688.506675286,C45H68O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,32-35,43,46H,3-5,7,9-10,15-16,21,23,25,30-31,36-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1",SVPAZKZROFIXSO,TVHQRRPOSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",SVPAZKZROFIXSO-TVHQRRPOSA-N
HMDB07724,726.616225734,C47H82O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,35,37,45,48H,3-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b13-11-,19-17-,25-23-,31-29-,37-35-/t45-/m0/s1",DXCFJXGLCGRMDT,YHTBHVAKSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/0:0)",DXCFJXGLCGRMDT-YHTBHVAKSA-N
HMDB07725,724.60057567,C47H80O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,35,37,45,48H,3-10,12,14-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-,37-35-/t45-/m0/s1",RORUDEHEHQYSRX,ZJSWZRKESA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/0:0)",RORUDEHEHQYSRX-ZJSWZRKESA-N
HMDB07726,722.584925606,C47H78O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,35,37,45,48H,3-10,15-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-,37-35-/t45-/m0/s1",XZCDBXKQMQJHRU,CBVIBOQOSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)",XZCDBXKQMQJHRU-CBVIBOQOSA-N
HMDB07727,718.553625478,C47H74O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35,37,45,48H,3-10,15-16,21-22,27-28,33-34,36,38-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t45-/m0/s1",UKFMGYLWDOQZBW,MGBDBGTHSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",UKFMGYLWDOQZBW-MGBDBGTHSA-N
HMDB07728,716.537975414,C47H72O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35-38,45,48H,3-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t45-/m0/s1",WUVBCFAQSQUIDC,WGFPQIISSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",WUVBCFAQSQUIDC-WGFPQIISSA-N
HMDB07729,716.537975414,C47H72O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,35,37,45,48H,3-5,7,9-10,15-16,21-22,27-28,33-34,36,38-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t45-/m0/s1",MLTSHRFXWFKCOH,ZEXOJSMCSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",MLTSHRFXWFKCOH-ZEXOJSMCSA-N
HMDB07730,714.52232535,C47H70O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,35-38,45,48H,3-5,7,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t45-/m0/s1",QRRZGBIDGYYNMO,KNNCRFDHSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",QRRZGBIDGYYNMO-KNNCRFDHSA-N
HMDB07731,754.647525862,C49H86O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,37,39,47,50H,3-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b14-12-,20-18-,27-25-,33-31-,39-37-/t47-/m0/s1",VDCXQDQEEBCLRY,VEYHXRHUSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/0:0)",VDCXQDQEEBCLRY-VEYHXRHUSA-N
HMDB07732,752.631875798,C49H84O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,37,39,47,50H,3-11,13,15-16,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t47-/m0/s1",FMDLZWZDFBHHDO,XZLMQPKDSA,N,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/0:0)",FMDLZWZDFBHHDO-XZLMQPKDSA-N
HMDB07733,614.491025222,C39H66O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-/t37-/m0/s1",ZVROWTOTBSWALZ,MTCOIHPXSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/0:0)",ZVROWTOTBSWALZ-MTCOIHPXSA-N
HMDB07734,612.475375158,C39H64O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,37,40H,3-4,6,8-9,14-15,18,21,23,25-36H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-/t37-/m0/s1",XJELJGCMEUSYKS,ABHQEDCTSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0)",XJELJGCMEUSYKS-ABHQEDCTSA-N
HMDB07735,628.506675286,C40H68O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-/t38-/m0/s1",QWOQYJLGWAATKQ,GVHKSUQMSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/15:0/0:0)",QWOQYJLGWAATKQ-GVHKSUQMSA-N
HMDB07736,642.52232535,C41H70O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,39,42H,3-4,6,8-10,12,14-16,19,22-23,26-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-24-/t39-/m0/s1",JQLFUAQCNIZDSC,BVODOJPOSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/0:0)",JQLFUAQCNIZDSC-BVODOJPOSA-N
HMDB07737,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,39,42H,3-4,6,8-10,12,15,19,22-23,26-38H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-/t39-/m0/s1",ASOMWOPPVTZMNM,PHOLIVLSSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/0:0)",ASOMWOPPVTZMNM-PHOLIVLSSA-N
HMDB07738,670.553625478,C43H74O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,41,44H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,27-25-/t41-/m0/s1",RMUBRZSHPSLPPN,KHQAGVLASA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/0:0)",RMUBRZSHPSLPPN-KHQAGVLASA-N
HMDB07739,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,25,27,41,44H,3-4,6,8-10,12,15,18,20,23-24,26,28-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,27-25-/t41-/m0/s1",OAUHLSFRFTZERV,OEMUPAMISA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/0:0)",OAUHLSFRFTZERV-OEMUPAMISA-N
HMDB07740,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,41,44H,3-4,6,8-10,12,14-16,20,24,26,28-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1",GECUAKBGRVJUJU,GRVHNFGUSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/0:0)",GECUAKBGRVJUJU-GRVHNFGUSA-N
HMDB07741,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,41,44H,3-4,6,8-10,15-16,20,24,26,28-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1",SBQQDCWXRMEXSL,NNZCLDOESA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/0:0)",SBQQDCWXRMEXSL-NNZCLDOESA-N
HMDB07742,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27-28,30,41,44H,3-4,6,8-10,15-16,20,24,26,29,31-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t41-/m0/s1",IDHFFBJFOLOWQF,ZPLIEFBKSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/0:0)",IDHFFBJFOLOWQF-ZPLIEFBKSA-N
HMDB07743,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27,41,44H,3-4,9-10,15-16,20,24,26,28-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1",IOETXCRONHUYPF,JNOODJOHSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/0:0)",IOETXCRONHUYPF-JNOODJOHSA-N
HMDB07744,662.491025222,C43H66O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27-28,30,41,44H,3-4,9-10,15-16,20,24,26,29,31-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t41-/m0/s1",VMEXRXSSAVUYGA,LGYVJSTCSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",VMEXRXSSAVUYGA-LGYVJSTCSA-N
HMDB07745,698.584925606,C45H78O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,27,29,43,46H,3-4,6,8-10,12,14-16,18,20-21,23,25-26,28,30-42H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,29-27-/t43-/m0/s1",AKINGKSXJBUZMC,PUNHXGBZSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:0/0:0)",AKINGKSXJBUZMC-PUNHXGBZSA-N
HMDB07746,696.569275542,C45H76O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,27,29,43,46H,3-4,6,8-10,12,14-16,21,23,25-26,28,30-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,29-27-/t43-/m0/s1",RMCPDLFPBFRAAF,PLUAELDASA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0)",RMCPDLFPBFRAAF-PLUAELDASA-N
HMDB07747,694.553625478,C45H74O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,27,29,43,46H,3-4,6,8-10,15-16,21,23,25-26,28,30-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t43-/m0/s1",IWVZSVBMYKYRSU,YDQOTCTKSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/0:0)",IWVZSVBMYKYRSU-YDQOTCTKSA-N
HMDB07748,692.537975414,C45H72O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,26-29,32,34,43,46H,3-4,6,8-10,12,14-16,21,23,25,30-31,33,35-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1",QVSWJMKCGZGCCH,GQHHXSLRSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/0:0)",QVSWJMKCGZGCCH-GQHHXSLRSA-N
HMDB07749,692.537975414,C45H72O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,43,46H,3-4,6,8-10,15-16,21,23,25,30-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t43-/m0/s1",ODUUASJSJXWAJL,AWGYRWBISA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/0:0)",ODUUASJSJXWAJL-AWGYRWBISA-N
HMDB07750,690.52232535,C45H70O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,32,34,43,46H,3-4,6,8-10,15-16,21,23,25,30-31,33,35-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1",YEJOYXKJEVMEMN,XGFHMRGSSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",YEJOYXKJEVMEMN-XGFHMRGSSA-N
HMDB07751,690.52232535,C45H70O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,43,46H,3-4,9-10,15-16,21,23,25,30-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t43-/m0/s1",APHCNMZNZPFDAF,MJFROYOPSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",APHCNMZNZPFDAF-MJFROYOPSA-N
HMDB07752,688.506675286,C45H68O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,32,34,43,46H,3-4,9-10,15-16,21,23,25,30-31,33,35-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1",CIGBUIJNIAKRIV,QAYFXLHOSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",CIGBUIJNIAKRIV-QAYFXLHOSA-N
HMDB07753,726.616225734,C47H82O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-/t45-/m0/s1",ABAYEVNWLJTOMP,DOSZPRTLSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/0:0)",ABAYEVNWLJTOMP-DOSZPRTLSA-N
HMDB07754,724.60057567,C47H80O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1",LHXWUFKDDGTKAP,SFGJZKLGSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/0:0)",LHXWUFKDDGTKAP-SFGJZKLGSA-N
HMDB07755,722.584925606,C47H78O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,45,48H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1",QLJQNRSBMJLMHM,DWHRNJHJSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0)",QLJQNRSBMJLMHM-DWHRNJHJSA-N
HMDB07756,718.553625478,C47H74O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t45-/m0/s1",AAPGXBRKBIUCMQ,UNIWNIHSSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",AAPGXBRKBIUCMQ-UNIWNIHSSA-N
HMDB07757,716.537975414,C47H72O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,36,38,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t45-/m0/s1",ZAEKZDVXKJHCLL,FHZWKLANSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",ZAEKZDVXKJHCLL-FHZWKLANSA-N
HMDB07758,716.537975414,C47H72O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,45,48H,3-4,9-10,15-16,21-22,27-28,33-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t45-/m0/s1",XGLDFBKEMUUOPX,ZEXWWIQASA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",XGLDFBKEMUUOPX-ZEXWWIQASA-N
HMDB07759,714.52232535,C47H70O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,36,38,45,48H,3-4,9-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t45-/m0/s1",GOUJNOAHBHZNEP,DOVAAHQDSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",GOUJNOAHBHZNEP-DOVAAHQDSA-N
HMDB07760,754.647525862,C49H86O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,47,50H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-46H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-/t47-/m0/s1",ZTWOXJGICXGWGT,FHBCSQKDSA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/24:0/0:0)",ZTWOXJGICXGWGT-FHBCSQKDSA-N
HMDB07761,752.631875798,C49H84O5,[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,47,50H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-/t47-/m0/s1",PAIXFIYRQPIEPW,SWNYXZIASA,N,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0)",PAIXFIYRQPIEPW-SWNYXZIASA-N
HMDB07762,612.475375158,C39H64O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,27,29,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-26,28,30-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,29-27-/t37-/m0/s1",LLOBOJAKMZHEKH,GVYMSAMVSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0)",LLOBOJAKMZHEKH-GVYMSAMVSA-N
HMDB07763,610.459725094,C39H62O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,27,29,37,40H,3-4,6,8-9,14-15,18,21,23,25-26,28,30-36H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,29-27-/t37-/m0/s1",XBMDITLCJKLCKN,GYBWFKAVSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0)",XBMDITLCJKLCKN-GYBWFKAVSA-N
HMDB07764,626.491025222,C40H66O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,28,30,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-27,29,31-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-,30-28-/t38-/m0/s1",XMMHGWPJHMYQFM,XCPKOXQZSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0/0:0)",XMMHGWPJHMYQFM-XCPKOXQZSA-N
HMDB07765,640.506675286,C41H68O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,29,31,39,42H,3-4,6,8-10,12,14-16,19,22-23,26-28,30,32-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-24-,31-29-/t39-/m0/s1",YSSOTPCOKHYQLF,ZOLFRYQZSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/0:0)",YSSOTPCOKHYQLF-ZOLFRYQZSA-N
HMDB07766,638.491025222,C41H66O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,29,31,39,42H,3-4,6,8-10,12,15,19,22-23,26-28,30,32-38H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-,31-29-/t39-/m0/s1",YKMUZDMOVVCPRZ,DELZSLHGSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/0:0)",YKMUZDMOVVCPRZ-DELZSLHGSA-N
HMDB07767,668.537975414,C43H72O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,41,44H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t41-/m0/s1",FEIXBHFPDYRMBE,ATZSXMIDSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/0:0)",FEIXBHFPDYRMBE-ATZSXMIDSA-N
HMDB07768,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,25,27,31,33,41,44H,3-4,6,8-10,12,15,18,20,23-24,26,28-30,32,34-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,27-25-,33-31-/t41-/m0/s1",QFILWJZAISMBNU,MNIJWQJWSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/0:0)",QFILWJZAISMBNU-MNIJWQJWSA-N
HMDB07769,666.52232535,C43H70O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,31,33,41,44H,3-4,6,8-10,12,14-16,20,24,26,28-30,32,34-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1",NXCMGJUQOZEDQC,LXCLWIILSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/0:0)",NXCMGJUQOZEDQC-LXCLWIILSA-N
HMDB07770,664.506675286,C43H68O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,31,33,41,44H,3-4,6,8-10,15-16,20,24,26,28-30,32,34-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1",DRFDMHPDWWUHIS,QMPRAYRDSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/0:0)",DRFDMHPDWWUHIS-QMPRAYRDSA-N
HMDB07771,662.491025222,C43H66O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27-28,30-31,33,41,44H,3-4,6,8-10,15-16,20,24,26,29,32,34-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t41-/m0/s1",RTAMDSKHHWGJMG,HVANBCJVSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/0:0)",RTAMDSKHHWGJMG-HVANBCJVSA-N
HMDB07772,662.491025222,C43H66O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27,31,33,41,44H,3-4,9-10,15-16,20,24,26,28-30,32,34-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1",VWVKSXGRTNEJFD,YUYJAAIOSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/0:0)",VWVKSXGRTNEJFD-YUYJAAIOSA-N
HMDB07773,660.475375158,C43H64O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H64O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27-28,30-31,33,41,44H,3-4,9-10,15-16,20,24,26,29,32,34-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t41-/m0/s1",QJFAPVLDILEWRF,XMYMBRPUSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",QJFAPVLDILEWRF-XMYMBRPUSA-N
HMDB07774,696.569275542,C45H76O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,27,29,33,35,43,46H,3-4,6,8-10,12,14-16,18,20-21,23,25-26,28,30-32,34,36-42H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,29-27-,35-33-/t43-/m0/s1",RKMAZJWSCLYQIG,RWKOWUEBSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0/0:0)",RKMAZJWSCLYQIG-RWKOWUEBSA-N
HMDB07775,694.553625478,C45H74O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,27,29,33,35,43,46H,3-4,6,8-10,12,14-16,21,23,25-26,28,30-32,34,36-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,29-27-,35-33-/t43-/m0/s1",BLHHWMIUSFZRBK,SOCOUZEWSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0)",BLHHWMIUSFZRBK-SOCOUZEWSA-N
HMDB07776,692.537975414,C45H72O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,27,29,33,35,43,46H,3-4,6,8-10,15-16,21,23,25-26,28,30-32,34,36-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-,35-33-/t43-/m0/s1",FVUPYZUHDBXJQO,PWBMGNKKSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/0:0)",FVUPYZUHDBXJQO-PWBMGNKKSA-N
HMDB07777,690.52232535,C45H70O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,26-29,32-35,43,46H,3-4,6,8-10,12,14-16,21,23,25,30-31,36-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1",TTWPTCYOCXMSFH,BTOQSNTOSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/0:0)",TTWPTCYOCXMSFH-BTOQSNTOSA-N
HMDB07778,690.52232535,C45H70O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,33,35,43,46H,3-4,6,8-10,15-16,21,23,25,30-32,34,36-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t43-/m0/s1",HIGQMDQUTFNJCU,XVGCJLOFSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/0:0)",HIGQMDQUTFNJCU-XVGCJLOFSA-N
HMDB07779,688.506675286,C45H68O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,32-35,43,46H,3-4,6,8-10,15-16,21,23,25,30-31,36-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1",SEZDBSFMICHKGG,FLQAEDJTSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",SEZDBSFMICHKGG-FLQAEDJTSA-N
HMDB07780,688.506675286,C45H68O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,33,35,43,46H,3-4,9-10,15-16,21,23,25,30-32,34,36-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t43-/m0/s1",RFINBXDIXFPFTO,JENWBKEFSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",RFINBXDIXFPFTO-JENWBKEFSA-N
HMDB07781,686.491025222,C45H66O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H66O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,32-35,43,46H,3-4,9-10,15-16,21,23,25,30-31,36-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1",WYIFICKEBONTOB,RXURWEMXSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",WYIFICKEBONTOB-RXURWEMXSA-N
HMDB07782,724.60057567,C47H80O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,35,37,45,48H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-/t45-/m0/s1",TWJYIHZPEYQMMG,ZSNVVMOKSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)",TWJYIHZPEYQMMG-ZSNVVMOKSA-N
HMDB07783,722.584925606,C47H78O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,35,37,45,48H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-,37-35-/t45-/m0/s1",QDSPTXAZNGCVJG,PNDHGRAESA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/0:0)",QDSPTXAZNGCVJG-PNDHGRAESA-N
HMDB07784,720.569275542,C47H76O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,35,37,45,48H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-,37-35-/t45-/m0/s1",MHDRTPJQGBFRLF,HKBYYINESA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0)",MHDRTPJQGBFRLF-HKBYYINESA-N
HMDB07785,716.537975414,C47H72O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35,37,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-34,36,38-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t45-/m0/s1",KDEYXPLTTWJJNN,GRTHEXQTSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",KDEYXPLTTWJJNN-GRTHEXQTSA-N
HMDB07786,714.52232535,C47H70O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t45-/m0/s1",LYCIFUKTLFWAKN,BKQFRBNDSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",LYCIFUKTLFWAKN-BKQFRBNDSA-N
HMDB07787,714.52232535,C47H70O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35,37,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,36,38-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t45-/m0/s1",KHWADTANMYONEK,WSCNZZCCSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",KHWADTANMYONEK-WSCNZZCCSA-N
HMDB07788,712.506675286,C47H68O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t45-/m0/s1",XIAZEYRSKHAPND,CYDJSWNTSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",XIAZEYRSKHAPND-CYDJSWNTSA-N
HMDB07789,752.631875798,C49H84O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,37,39,47,50H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-,39-37-/t47-/m0/s1",USMCKRJMEPOWJN,QTYQGYBXSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/0:0)",USMCKRJMEPOWJN-QTYQGYBXSA-N
HMDB07790,750.616225734,C49H82O5,[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,37,39,47,50H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t47-/m0/s1",WCTQWPPQGLLAEV,UIMKPGLRSA,N,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0)",WCTQWPPQGLLAEV-UIMKPGLRSA-N
HMDB07791,652.60057567,C41H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-25-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m0/s1",FJCHOCNTBKOXQW,KDXMTYKHSA,N,DG(24:0/14:0/0:0),FJCHOCNTBKOXQW-KDXMTYKHSA-N
HMDB07792,650.584925606,C41H78O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-25-14-12-10-8-6-4-2/h10,12,39,42H,3-9,11,13-38H2,1-2H3/b12-10-/t39-/m0/s1",SIOOGZNYMDUCPK,BAFOCXNNSA,N,DG(24:0/14:1(9Z)/0:0),SIOOGZNYMDUCPK-BAFOCXNNSA-N
HMDB07793,666.616225734,C42H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C42H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-41(44)46-39-40(38-43)47-42(45)37-35-33-31-29-26-16-14-12-10-8-6-4-2/h40,43H,3-39H2,1-2H3/t40-/m0/s1",BVEFOESOGCKLLY,FAIXQHPJSA,N,DG(24:0/15:0/0:0),BVEFOESOGCKLLY-FAIXQHPJSA-N
HMDB07794,680.631875798,C43H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m0/s1",TYGGMAVESAKUGI,RWYGWLOXSA,N,DG(24:0/16:0/0:0),TYGGMAVESAKUGI-RWYGWLOXSA-N
HMDB07795,678.616225734,C43H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h14,16,41,44H,3-13,15,17-40H2,1-2H3/b16-14-/t41-/m0/s1",KRUMFQDFXZICFV,HJQHNVIGSA,N,DG(24:0/16:1(9Z)/0:0),KRUMFQDFXZICFV-HJQHNVIGSA-N
HMDB07796,708.663175926,C45H88O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3/t43-/m0/s1",REOXEWXOGNBTEW,QLKFWGTOSA,N,DG(24:0/18:0/0:0),REOXEWXOGNBTEW-QLKFWGTOSA-N
HMDB07797,706.647525862,C45H86O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h14,16,43,46H,3-13,15,17-42H2,1-2H3/b16-14-/t43-/m0/s1",DCLDGCCWYBETPR,KRXRIBMHSA,N,DG(24:0/18:1(11Z)/0:0),DCLDGCCWYBETPR-KRXRIBMHSA-N
HMDB07798,706.647525862,C45H86O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h18,25,43,46H,3-17,19-24,26-42H2,1-2H3/b25-18-/t43-/m0/s1",CNKNQKFREZNPNM,GVUQESASSA,N,DG(24:0/18:1(9Z)/0:0),CNKNQKFREZNPNM-GVUQESASSA-N
HMDB07799,704.631875798,C45H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,43,46H,3-11,13,15-17,19-24,26-42H2,1-2H3/b14-12-,25-18-/t43-/m0/s1",KABXZSLVFJFVNB,RUBACYBRSA,N,"DG(24:0/18:2(9Z,12Z)/0:0)",KABXZSLVFJFVNB-RUBACYBRSA-N
HMDB07800,702.616225734,C45H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,30,32,43,46H,3-11,13,15-17,19-24,26-29,31,33-42H2,1-2H3/b14-12-,25-18-,32-30-/t43-/m0/s1",NUOJGLPEAPUTSD,LCRKKDPZSA,N,"DG(24:0/18:3(6Z,9Z,12Z)/0:0)",NUOJGLPEAPUTSD-LCRKKDPZSA-N
HMDB07801,702.616225734,C45H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,43,46H,3-5,7,9-11,13,15-17,19-24,26-42H2,1-2H3/b8-6-,14-12-,25-18-/t43-/m0/s1",ICAZUZJEYPUWIO,AWWKIQITSA,N,"DG(24:0/18:3(9Z,12Z,15Z)/0:0)",ICAZUZJEYPUWIO-AWWKIQITSA-N
HMDB07802,700.60057567,C45H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,30,32,43,46H,3-5,7,9-11,13,15-17,19-24,26-29,31,33-42H2,1-2H3/b8-6-,14-12-,25-18-,32-30-/t43-/m0/s1",AZPPMFBVNVLFAF,LWBDVFHKSA,N,"DG(24:0/18:4(6Z,9Z,12Z,15Z)/0:0)",AZPPMFBVNVLFAF-LWBDVFHKSA-N
HMDB07803,736.694476054,C47H92O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3/t45-/m0/s1",DAQMWWWCALZFJC,GWHBCOKCSA,N,DG(24:0/20:0/0:0),DAQMWWWCALZFJC-GWHBCOKCSA-N
HMDB07804,734.67882599,C47H90O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h18,20,45,48H,3-17,19,21-44H2,1-2H3/b20-18-/t45-/m0/s1",CVHZTMNJLZHIFA,YNNWIYJUSA,N,DG(24:0/20:1(11Z)/0:0),CVHZTMNJLZHIFA-YNNWIYJUSA-N
HMDB07805,732.663175926,C47H88O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,45,48H,3-11,13,15-17,19,21-44H2,1-2H3/b14-12-,20-18-/t45-/m0/s1",JLSZXORVQYNISH,LGJUANINSA,N,"DG(24:0/20:2(11Z,14Z)/0:0)",JLSZXORVQYNISH-LGJUANINSA-N
HMDB07806,730.647525862,C47H86O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h18,20,28,30,34,36,45,48H,3-17,19,21-27,29,31-33,35,37-44H2,1-2H3/b20-18-,30-28-,36-34-/t45-/m0/s1",MXZWHBIVKFXAKQ,WGDIDURJSA,N,"DG(24:0/20:3(5Z,8Z,11Z)/0:0)",MXZWHBIVKFXAKQ-WGDIDURJSA-N
HMDB07807,730.647525862,C47H86O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,28,30,45,48H,3-11,13,15-17,19,21-27,29,31-44H2,1-2H3/b14-12-,20-18-,30-28-/t45-/m0/s1",VOJMKRSTEQMACO,SNGWNOJZSA,N,"DG(24:0/20:3(8Z,11Z,14Z)/0:0)",VOJMKRSTEQMACO-SNGWNOJZSA-N
HMDB07808,728.631875798,C47H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,28,30,34,36,45,48H,3-11,13,15-17,19,21-27,29,31-33,35,37-44H2,1-2H3/b14-12-,20-18-,30-28-,36-34-/t45-/m0/s1",FCWYUZIWWXYQOC,HZYGDTERSA,N,"DG(24:0/20:4(5Z,8Z,11Z,14Z)/0:0)",FCWYUZIWWXYQOC-HZYGDTERSA-N
HMDB07809,728.631875798,C47H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,28,30,45,48H,3-5,7,9-11,13,15-17,19,21-27,29,31-44H2,1-2H3/b8-6-,14-12-,20-18-,30-28-/t45-/m0/s1",UUHCGXGRPXDVOO,RJCPTPRBSA,N,"DG(24:0/20:4(8Z,11Z,14Z,17Z)/0:0)",UUHCGXGRPXDVOO-RJCPTPRBSA-N
HMDB07810,726.616225734,C47H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,28,30,34,36,45,48H,3-5,7,9-11,13,15-17,19,21-27,29,31-33,35,37-44H2,1-2H3/b8-6-,14-12-,20-18-,30-28-,36-34-/t45-/m0/s1",FZFUNZVNKZMZGP,RTXHKDBFSA,N,"DG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",FZFUNZVNKZMZGP-RTXHKDBFSA-N
HMDB07811,764.725776182,C49H96O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h47,50H,3-46H2,1-2H3/t47-/m0/s1",RQUWQRRCUNWZCO,MFERNQICSA,N,DG(24:0/22:0/0:0),RQUWQRRCUNWZCO-MFERNQICSA-N
HMDB07812,762.710126118,C49H94O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,47,50H,3-17,19,21-46H2,1-2H3/b20-18-/t47-/m0/s1",LRVHJSMORBORDV,ANOXUIHHSA,N,DG(24:0/22:1(13Z)/0:0),LRVHJSMORBORDV-ANOXUIHHSA-N
HMDB07813,760.694476054,C49H92O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47,50H,3-11,13,15-17,19,21-46H2,1-2H3/b14-12-,20-18-/t47-/m0/s1",JUSASRVQPPNJLE,XVFQAYOKSA,N,"DG(24:0/22:2(13Z,16Z)/0:0)",JUSASRVQPPNJLE-XVFQAYOKSA-N
HMDB07814,756.663175926,C49H88O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,28,32,34,47,50H,3-11,13,15-17,19,21-24,26-27,29-31,33,35-46H2,1-2H3/b14-12-,20-18-,28-25-,34-32-/t47-/m0/s1",DYCYSIWSLOIJCX,COKVNDNFSA,N,"DG(24:0/22:4(7Z,10Z,13Z,16Z)/0:0)",DYCYSIWSLOIJCX-COKVNDNFSA-N
HMDB07815,754.647525862,C49H86O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,28,32,34,38,40,47,50H,3-11,13,15-17,19,21-24,26-27,29-31,33,35-37,39,41-46H2,1-2H3/b14-12-,20-18-,28-25-,34-32-,40-38-/t47-/m0/s1",MFHIPRHCKFUQFY,LKSODZMWSA,N,"DG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",MFHIPRHCKFUQFY-LKSODZMWSA-N
HMDB07816,754.647525862,C49H86O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,28,32,34,47,50H,3-5,7,9-11,13,15-17,19,21-24,26-27,29-31,33,35-46H2,1-2H3/b8-6-,14-12-,20-18-,28-25-,34-32-/t47-/m0/s1",VTVJRMYJONQWHJ,LLRCUVCISA,N,"DG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",VTVJRMYJONQWHJ-LLRCUVCISA-N
HMDB07817,752.631875798,C49H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,28,32,34,38,40,47,50H,3-5,7,9-11,13,15-17,19,21-24,26-27,29-31,33,35-37,39,41-46H2,1-2H3/b8-6-,14-12-,20-18-,28-25-,34-32-,40-38-/t47-/m0/s1",IYTDAJLPRGSOOJ,IKRSHJIXSA,N,"DG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",IYTDAJLPRGSOOJ-IKRSHJIXSA-N
HMDB07818,792.75707631,C51H100O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H100O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49,52H,3-48H2,1-2H3/t49-/m0/s1",VMBHVRBCFKYCLJ,GGCSAXROSA,N,DG(24:0/24:0/0:0),VMBHVRBCFKYCLJ-GGCSAXROSA-N
HMDB07819,790.741426246,C51H98O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H98O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,49,52H,3-17,19,21-48H2,1-2H3/b20-18-/t49-/m0/s1",RJGNSCAELILYGZ,VAACDTGZSA,N,DG(24:0/24:1(15Z)/0:0),RJGNSCAELILYGZ-VAACDTGZSA-N
HMDB07820,650.584925606,C41H78O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-25-14-12-10-8-6-4-2/h16-17,39,42H,3-15,18-38H2,1-2H3/b17-16-/t39-/m0/s1",SLTJAXBWBKSHTL,DKEJYNJJSA,N,DG(24:1(15Z)/14:0/0:0),SLTJAXBWBKSHTL-DKEJYNJJSA-N
HMDB07821,648.569275542,C41H76O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-25-14-12-10-8-6-4-2/h10,12,16-17,39,42H,3-9,11,13-15,18-38H2,1-2H3/b12-10-,17-16-/t39-/m0/s1",ILTAUBZEJAXFMT,NGOVACPCSA,N,DG(24:1(15Z)/14:1(9Z)/0:0),ILTAUBZEJAXFMT-NGOVACPCSA-N
HMDB07822,664.60057567,C42H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C42H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-41(44)46-39-40(38-43)47-42(45)37-35-33-31-29-26-16-14-12-10-8-6-4-2/h17-18,40,43H,3-16,19-39H2,1-2H3/b18-17-/t40-/m0/s1",MXESSGYBWUIDPK,JCEJMGBYSA,N,DG(24:1(15Z)/15:0/0:0),MXESSGYBWUIDPK-JCEJMGBYSA-N
HMDB07823,678.616225734,C43H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h17-18,41,44H,3-16,19-40H2,1-2H3/b18-17-/t41-/m0/s1",QJQVQHKEWODGQM,FKQJZCQMSA,N,DG(24:1(15Z)/16:0/0:0),QJQVQHKEWODGQM-FKQJZCQMSA-N
HMDB07824,676.60057567,C43H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h14,16-18,41,44H,3-13,15,19-40H2,1-2H3/b16-14-,18-17-/t41-/m0/s1",ZOBFTAHASANRKG,XQGOLSDZSA,N,DG(24:1(15Z)/16:1(9Z)/0:0),ZOBFTAHASANRKG-XQGOLSDZSA-N
HMDB07825,706.647525862,C45H86O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h17,19,43,46H,3-16,18,20-42H2,1-2H3/b19-17-/t43-/m0/s1",RXQIBWQIDCOARN,URFWVIAFSA,N,DG(24:1(15Z)/18:0/0:0),RXQIBWQIDCOARN-URFWVIAFSA-N
HMDB07826,704.631875798,C45H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,43,46H,3-13,15,18,20-42H2,1-2H3/b16-14-,19-17-/t43-/m0/s1",WGYBRGVAVSBJDH,GHJNHKDUSA,N,DG(24:1(15Z)/18:1(11Z)/0:0),WGYBRGVAVSBJDH-GHJNHKDUSA-N
HMDB07827,704.631875798,C45H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h17-19,25,43,46H,3-16,20-24,26-42H2,1-2H3/b19-17-,25-18-/t43-/m0/s1",YWEAKUAMAAEMPP,BGUONOPZSA,N,DG(24:1(15Z)/18:1(9Z)/0:0),YWEAKUAMAAEMPP-BGUONOPZSA-N
HMDB07828,702.616225734,C45H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,43,46H,3-11,13,15-16,20-24,26-42H2,1-2H3/b14-12-,19-17-,25-18-/t43-/m0/s1",FDIPKSFMACSLLO,NJXAGVJISA,N,"DG(24:1(15Z)/18:2(9Z,12Z)/0:0)",FDIPKSFMACSLLO-NJXAGVJISA-N
HMDB07829,700.60057567,C45H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,30,32,43,46H,3-11,13,15-16,20-24,26-29,31,33-42H2,1-2H3/b14-12-,19-17-,25-18-,32-30-/t43-/m0/s1",JXMYCGIDLPFVIL,YISPAMIHSA,N,"DG(24:1(15Z)/18:3(6Z,9Z,12Z)/0:0)",JXMYCGIDLPFVIL-YISPAMIHSA-N
HMDB07830,700.60057567,C45H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,43,46H,3-5,7,9-11,13,15-16,20-24,26-42H2,1-2H3/b8-6-,14-12-,19-17-,25-18-/t43-/m0/s1",BDVYDEMAVHYMHV,UUNVFPILSA,N,"DG(24:1(15Z)/18:3(9Z,12Z,15Z)/0:0)",BDVYDEMAVHYMHV-UUNVFPILSA-N
HMDB07831,698.584925606,C45H78O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,30,32,43,46H,3-5,7,9-11,13,15-16,20-24,26-29,31,33-42H2,1-2H3/b8-6-,14-12-,19-17-,25-18-,32-30-/t43-/m0/s1",JFZMXKQFPNYWLT,SNZWJDBCSA,N,"DG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",JFZMXKQFPNYWLT-SNZWJDBCSA-N
HMDB07832,734.67882599,C47H90O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17,19,45,48H,3-16,18,20-44H2,1-2H3/b19-17-/t45-/m0/s1",WVFUXNSPMVQDML,KMZFKOFHSA,N,DG(24:1(15Z)/20:0/0:0),WVFUXNSPMVQDML-KMZFKOFHSA-N
HMDB07833,732.663175926,C47H88O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-/t45-/m0/s1",PFODAKKYTXGVSF,DZSRQPACSA,N,DG(24:1(15Z)/20:1(11Z)/0:0),PFODAKKYTXGVSF-DZSRQPACSA-N
HMDB07834,730.647525862,C47H86O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,45,48H,3-11,13,15-16,21-44H2,1-2H3/b14-12-,19-17-,20-18-/t45-/m0/s1",PVFLATUVZLWQLQ,DDYXGRGRSA,N,"DG(24:1(15Z)/20:2(11Z,14Z)/0:0)",PVFLATUVZLWQLQ-DDYXGRGRSA-N
HMDB07835,728.631875798,C47H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17-20,28,30,34,36,45,48H,3-16,21-27,29,31-33,35,37-44H2,1-2H3/b19-17-,20-18-,30-28-,36-34-/t45-/m0/s1",OUMCELJIZBTOCU,NKBJPIHHSA,N,"DG(24:1(15Z)/20:3(5Z,8Z,11Z)/0:0)",OUMCELJIZBTOCU-NKBJPIHHSA-N
HMDB07836,728.631875798,C47H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,28,30,45,48H,3-11,13,15-16,21-27,29,31-44H2,1-2H3/b14-12-,19-17-,20-18-,30-28-/t45-/m0/s1",QSPKEBRDLGBSHO,MZDZFIIESA,N,"DG(24:1(15Z)/20:3(8Z,11Z,14Z)/0:0)",QSPKEBRDLGBSHO-MZDZFIIESA-N
HMDB07837,726.616225734,C47H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,28,30,34,36,45,48H,3-11,13,15-16,21-27,29,31-33,35,37-44H2,1-2H3/b14-12-,19-17-,20-18-,30-28-,36-34-/t45-/m0/s1",RQRKAZXLNKXLFA,TZWHNGPDSA,N,"DG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)",RQRKAZXLNKXLFA-TZWHNGPDSA-N
HMDB07838,726.616225734,C47H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,28,30,45,48H,3-5,7,9-11,13,15-16,21-27,29,31-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,30-28-/t45-/m0/s1",TWENFEVATBOSTQ,OPXLJXSKSA,N,"DG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/0:0)",TWENFEVATBOSTQ-OPXLJXSKSA-N
HMDB07839,724.60057567,C47H80O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,28,30,34,36,45,48H,3-5,7,9-11,13,15-16,21-27,29,31-33,35,37-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,30-28-,36-34-/t45-/m0/s1",VNSQJDSUWTXGEW,OYXAFDOLSA,N,"DG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",VNSQJDSUWTXGEW-OYXAFDOLSA-N
HMDB07840,762.710126118,C49H94O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,47,50H,3-16,18,20-46H2,1-2H3/b19-17-/t47-/m0/s1",UPVGABFSGSPFCU,SDEAOELPSA,N,DG(24:1(15Z)/22:0/0:0),UPVGABFSGSPFCU-SDEAOELPSA-N
HMDB07841,760.694476054,C49H92O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h17-20,47,50H,3-16,21-46H2,1-2H3/b19-17-,20-18-/t47-/m0/s1",LPOPUWOOSTUCJD,VPXYJLLVSA,N,DG(24:1(15Z)/22:1(13Z)/0:0),LPOPUWOOSTUCJD-VPXYJLLVSA-N
HMDB07842,758.67882599,C49H90O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47,50H,3-11,13,15-16,21-46H2,1-2H3/b14-12-,19-17-,20-18-/t47-/m0/s1",KYJWXFJTKORGOQ,QUSLOAQQSA,N,"DG(24:1(15Z)/22:2(13Z,16Z)/0:0)",KYJWXFJTKORGOQ-QUSLOAQQSA-N
HMDB07843,754.647525862,C49H86O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,28,32,34,47,50H,3-11,13,15-16,21-24,26-27,29-31,33,35-46H2,1-2H3/b14-12-,19-17-,20-18-,28-25-,34-32-/t47-/m0/s1",QIUIBIHYYDTLAA,LCECCWKOSA,N,"DG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",QIUIBIHYYDTLAA-LCECCWKOSA-N
HMDB07844,752.631875798,C49H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,28,32,34,38,40,47,50H,3-11,13,15-16,21-24,26-27,29-31,33,35-37,39,41-46H2,1-2H3/b14-12-,19-17-,20-18-,28-25-,34-32-,40-38-/t47-/m0/s1",WUAXCABRUBPUER,YAFSQVMZSA,N,"DG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",WUAXCABRUBPUER-YAFSQVMZSA-N
HMDB07845,752.631875798,C49H84O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,28,32,34,47,50H,3-5,7,9-11,13,15-16,21-24,26-27,29-31,33,35-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,28-25-,34-32-/t47-/m0/s1",YIXVYSJFXRDGCI,YEZLDMBLSA,N,"DG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",YIXVYSJFXRDGCI-YEZLDMBLSA-N
HMDB07846,750.616225734,C49H82O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,28,32,34,38,40,47,50H,3-5,7,9-11,13,15-16,21-24,26-27,29-31,33,35-37,39,41-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,28-25-,34-32-,40-38-/t47-/m0/s1",ISCSEXCARYZQEL,FFACQOFOSA,N,"DG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",ISCSEXCARYZQEL-FFACQOFOSA-N
HMDB07847,790.741426246,C51H98O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H98O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,49,52H,3-16,18,20-48H2,1-2H3/b19-17-/t49-/m0/s1",YUFFMVIZZQIBPN,GBCBJHACSA,N,DG(24:1(15Z)/24:0/0:0),YUFFMVIZZQIBPN-GBCBJHACSA-N
HMDB07848,788.725776182,C51H96O5,[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,49,52H,3-16,21-48H2,1-2H3/b19-17-,20-18-/t49-/m0/s1",SOWAPPIVBQCDGN,BTOFNRAGSA,N,DG(24:1(15Z)/24:1(15Z)/0:0),SOWAPPIVBQCDGN-BTOFNRAGSA-N
HMDB07849,410.243340114,C19H39O7P,[H][C@@](CO)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)26-18(16-20)17-25-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1",LPQBQFLKBCPNAV,GOSISDBHSA,N,LPA(0:0/16:0),LPQBQFLKBCPNAV-GOSISDBHSA-N
HMDB07850,438.274640242,C21H43O7P,[H][C@@](CO)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1",RPAOEHFOGLEBTJ,HXUWFJFHSA,N,LPA(0:0/18:0),RPAOEHFOGLEBTJ-HXUWFJFHSA-N
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HMDB07853,410.243340114,C19H39O7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COP(O)(O)=O,"InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1",YNDYKPRNFWPPFU,GOSISDBHSA,N,LPA(16:0/0:0),YNDYKPRNFWPPFU-GOSISDBHSA-N
HMDB07854,438.274640242,C21H43O7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(O)=O,"InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1",LAYXSTYJRSVXIH,HXUWFJFHSA,N,LPA(18:0/0:0),LAYXSTYJRSVXIH-HXUWFJFHSA-N
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HMDB07856,434.243340114,C21H39O7P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@](O)([H])COP(O)(=O)O,"InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-/t20-/m1/s1",ZQTAMPRZFOOEEP,KKFOGOCZSA,N,"LPA(18:2(9Z,12Z)/0:0)",ZQTAMPRZFOOEEP-KKFOGOCZSA-N
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HMDB07859,674.488656244,C37H71O8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/b18-17-/t35-/m1/s1",OPVZUEPSMJNLOM,QEJMHMKOSA,N,PA(16:0/18:1(9Z)),OPVZUEPSMJNLOM-QEJMHMKOSA-N
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HMDB07862,700.504306309,C39H73O8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37H,3-12,17-36H2,1-2H3,(H2,42,43,44)/b15-13-,16-14-/t37-/m1/s1",LMYYBYHAZAFVTR,RLSIPVDZSA,N,PA(18:1(11Z)/18:1(11Z)),LMYYBYHAZAFVTR-RLSIPVDZSA-N
HMDB07863,700.504306309,C39H73O8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,37H,3-12,14,16-17,19,21-36H2,1-2H3,(H2,42,43,44)/b15-13-,20-18-/t37-/m1/s1",IIMFLKINUHKKSA,SLLMOJSDSA,N,PA(18:1(11Z)/18:1(9Z)),IIMFLKINUHKKSA-SLLMOJSDSA-N
HMDB07864,700.504306309,C39H73O8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37H,3-13,15,18,20-36H2,1-2H3,(H2,42,43,44)/b16-14-,19-17-/t37-/m1/s1",WXGVPSHYGAKQHX,YFPMXLMLSA,N,PA(18:1(9Z)/18:1(11Z)),WXGVPSHYGAKQHX-YFPMXLMLSA-N
HMDB07865,700.504306309,C39H73O8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-/t37-/m1/s1",MHUWZNTUIIFHAS,DSSVUWSHSA,N,PA(18:1(9Z)/18:1(9Z)),MHUWZNTUIIFHAS-DSSVUWSHSA-N
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HMDB07868,691.515204861,C37H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C37H74NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38(3,4)5)33-43-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h35H,6-34H2,1-5H3/t35-/m1/s1",JERIBPHBOOFETI,PGUFJCEWSA,N,PC(14:0/15:0),JERIBPHBOOFETI-PGUFJCEWSA-N
HMDB07869,705.530854925,C38H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1",RFVFQQWKPSOBED,PSXMRANNSA,N,PC(14:0/16:0),RFVFQQWKPSOBED-PSXMRANNSA-N
HMDB07870,703.515204861,C38H74NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h16,18,36H,6-15,17,19-35H2,1-5H3/b18-16-/t36-/m1/s1",XGGMHQYOVYWRLV,IZNHTBNISA,N,PC(14:0/16:1(9Z)),XGGMHQYOVYWRLV-IZNHTBNISA-N
HMDB07871,733.562155053,C40H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1",TYAQXZHDAGZOEO,KXQOOQHDSA,N,PC(14:0/18:0),TYAQXZHDAGZOEO-KXQOOQHDSA-N
HMDB07872,731.546504989,C40H78NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h16,18,38H,6-15,17,19-37H2,1-5H3/b18-16-/t38-/m1/s1",GMJKBBMXRYZKEP,WYRBGLKBSA,N,PC(14:0/18:1(11Z)),GMJKBBMXRYZKEP-WYRBGLKBSA-N
HMDB07873,731.546504989,C40H78NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h19-20,38H,6-18,21-37H2,1-5H3/b20-19-/t38-/m1/s1",NXASLICYTANYBI,OQHNRNOKSA,N,PC(14:0/18:1(9Z)),NXASLICYTANYBI-OQHNRNOKSA-N
HMDB07874,729.530854925,C40H76NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h14,16,19-20,38H,6-13,15,17-18,21-37H2,1-5H3/b16-14-,20-19-/t38-/m1/s1",IWXJKHSPEQSQMD,GMGFYYQASA,N,"PC(14:0/18:2(9Z,12Z))",IWXJKHSPEQSQMD-GMGFYYQASA-N
HMDB07875,727.515204861,C40H74NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h14,16,19-20,23,25,38H,6-13,15,17-18,21-22,24,26-37H2,1-5H3/b16-14-,20-19-,25-23-/t38-/m1/s1",VZQRMZUULSWEHB,XCFXQIAYSA,N,"PC(14:0/18:3(6Z,9Z,12Z))",VZQRMZUULSWEHB-XCFXQIAYSA-N
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HMDB07877,725.499554797,C40H72NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h8,10,14,16,19-20,23,25,38H,6-7,9,11-13,15,17-18,21-22,24,26-37H2,1-5H3/b10-8-,16-14-,20-19-,25-23-/t38-/m1/s1",SZQBOFQJPDNGHN,HTICVQCJSA,N,"PC(14:0/18:4(6Z,9Z,12Z,15Z))",SZQBOFQJPDNGHN-HTICVQCJSA-N
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HMDB07879,759.577805117,C42H82NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h19-20,40H,6-18,21-39H2,1-5H3/b20-19-/t40-/m1/s1",DMEBDXIQFIKNQR,OIJJMQLXSA,N,PC(14:0/20:1(11Z)),DMEBDXIQFIKNQR-OIJJMQLXSA-N
HMDB07880,757.562155053,C42H80NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h14,16,19-20,40H,6-13,15,17-18,21-39H2,1-5H3/b16-14-,20-19-/t40-/m1/s1",IRYMXEVDAKMFIF,YBLKGUNISA,N,"PC(14:0/20:2(11Z,14Z))",IRYMXEVDAKMFIF-YBLKGUNISA-N
HMDB07881,755.546504989,C42H78NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h19-20,22-23,27,29,40H,6-18,21,24-26,28,30-39H2,1-5H3/b20-19-,23-22-,29-27-/t40-/m1/s1",XWHIBISICRMDDW,ZLBNXBDKSA,N,"PC(14:0/20:3(5Z,8Z,11Z))",XWHIBISICRMDDW-ZLBNXBDKSA-N
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HMDB07883,753.530854925,C42H76NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h14,16,19-20,22-23,27,29,40H,6-13,15,17-18,21,24-26,28,30-39H2,1-5H3/b16-14-,20-19-,23-22-,29-27-/t40-/m1/s1",SRQSAJRUMDQMMS,NLDJLLEISA,N,"PC(14:0/20:4(5Z,8Z,11Z,14Z))",SRQSAJRUMDQMMS-NLDJLLEISA-N
HMDB07884,753.530854925,C42H76NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,40H,6-7,9,11-13,15,17-18,21,24-39H2,1-5H3/b10-8-,16-14-,20-19-,23-22-/t40-/m1/s1",BXZPYXMUABUWBT,JAHIUHDMSA,N,"PC(14:0/20:4(8Z,11Z,14Z,17Z))",BXZPYXMUABUWBT-JAHIUHDMSA-N
HMDB07885,751.515204861,C42H74NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,27,29,40H,6-7,9,11-13,15,17-18,21,24-26,28,30-39H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,29-27-/t40-/m1/s1",WCNDCUHEAPXSRE,HXAAYVMLSA,N,"PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z))",WCNDCUHEAPXSRE-HXAAYVMLSA-N
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HMDB07891,779.546504989,C44H78NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,42H,6-7,9,11-13,15,17-18,21,24,26,28-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1",SFEMWZZGMMRGCX,DYPKKMQZSA,N,"PC(14:0/22:5(7Z,10Z,13Z,16Z,19Z))",SFEMWZZGMMRGCX-DYPKKMQZSA-N
HMDB07892,777.530854925,C44H76NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",HAIPHKFLSXSDAN,BLOCXYQCSA,N,"PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HAIPHKFLSXSDAN-BLOCXYQCSA-N
HMDB07893,817.656055437,C46H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1",HZKNKWPYIHKKKL,USYZEHPZSA,N,PC(14:0/24:0),HZKNKWPYIHKKKL-USYZEHPZSA-N
HMDB07894,815.640405373,C46H90NO8P,CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h19-20,44H,6-18,21-43H2,1-5H3/b20-19-/t44-/m1/s1",GIPZQCAVEQRWOM,IKJFKDIMSA,N,PC(14:0/24:1(15Z)),GIPZQCAVEQRWOM-IKJFKDIMSA-N
HMDB07895,689.535940303,C38H76NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C38H76NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39(3,4)5)35-44-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h30,33,37H,6-29,31-32,34-36H2,1-5H3/b33-30-",JCYQQPUPIWZLSG,MEIHLTSWSA,N,PC(14:0/P-16:0),JCYQQPUPIWZLSG-MEIHLTSWSA-N
HMDB07896,717.567240431,C40H80NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32-",RGTWJEUZOMLQFH,JCUPVDEDSA,N,PC(14:0/P-18:0),RGTWJEUZOMLQFH-JCUPVDEDSA-N
HMDB07897,715.551590367,C40H78NO7P,CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h16,18,32,35,39H,6-15,17,19-31,33-34,36-38H2,1-5H3/b18-16-,35-32-",YRMZQKFOVROEJO,NKTXNVSESA,N,PC(14:0/P-18:1(11Z)),YRMZQKFOVROEJO-NKTXNVSESA-N
HMDB07898,715.551590367,C40H78NO7P,CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h19-20,32,35,39H,6-18,21-31,33-34,36-38H2,1-5H3/b20-19-,35-32-",JWHYYJPWODHUBX,FWMFHLHFSA,N,PC(14:0/P-18:1(9Z)),JWHYYJPWODHUBX-FWMFHLHFSA-N
HMDB07899,675.483904733,C36H70NO8P,CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C36H70NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h12,14,34H,6-11,13,15-33H2,1-5H3/b14-12-/t34-/m1/s1",XQPYHFHTTVXZKL,XBEBLRSGSA,N,PC(14:1(9Z)/14:0),XQPYHFHTTVXZKL-XBEBLRSGSA-N
HMDB07900,673.468254669,C36H68NO8P,CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C36H68NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h12-15,34H,6-11,16-33H2,1-5H3/b14-12-,15-13-/t34-/m1/s1",AVCZHZMYOZARRJ,JWLMTKEBSA,N,PC(14:1(9Z)/14:1(9Z)),AVCZHZMYOZARRJ-JWLMTKEBSA-N
HMDB07901,689.499554797,C37H72NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C37H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38(3,4)5)33-43-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h13,15,35H,6-12,14,16-34H2,1-5H3/b15-13-/t35-/m1/s1",YKVGKTUIHABLLA,JUOLSMOWSA,N,PC(14:1(9Z)/15:0),YKVGKTUIHABLLA-JUOLSMOWSA-N
HMDB07902,703.515204861,C38H74NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h13,15,36H,6-12,14,16-35H2,1-5H3/b15-13-/t36-/m1/s1",ANKCYRKQDLQXGL,MRDDHZETSA,N,PC(14:1(9Z)/16:0),ANKCYRKQDLQXGL-MRDDHZETSA-N
HMDB07903,701.499554797,C38H72NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C38H72NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h13,15-16,18,36H,6-12,14,17,19-35H2,1-5H3/b15-13-,18-16-/t36-/m1/s1",RUTXZOOOUKHIRR,KQGJYXFZSA,N,PC(14:1(9Z)/16:1(9Z)),RUTXZOOOUKHIRR-KQGJYXFZSA-N
HMDB07904,731.546504989,C40H78NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13,15,38H,6-12,14,16-37H2,1-5H3/b15-13-/t38-/m1/s1",USMRUWLOXQOAAX,IUXSEFJDSA,N,PC(14:1(9Z)/18:0),USMRUWLOXQOAAX-IUXSEFJDSA-N
HMDB07905,729.530854925,C40H76NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13,15-16,18,38H,6-12,14,17,19-37H2,1-5H3/b15-13-,18-16-/t38-/m1/s1",QNWUSMHOBHFMNS,MIXVWNHBSA,N,PC(14:1(9Z)/18:1(11Z)),QNWUSMHOBHFMNS-MIXVWNHBSA-N
HMDB07906,729.530854925,C40H76NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13,15,19-20,38H,6-12,14,16-18,21-37H2,1-5H3/b15-13-,20-19-/t38-/m1/s1",KFGSHFVDCHWRGE,LULHKCDZSA,N,PC(14:1(9Z)/18:1(9Z)),KFGSHFVDCHWRGE-LULHKCDZSA-N
HMDB07907,727.515204861,C40H74NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13-16,19-20,38H,6-12,17-18,21-37H2,1-5H3/b15-13-,16-14-,20-19-/t38-/m1/s1",FLXFESILEUFIBE,SHAXIEEXSA,N,"PC(14:1(9Z)/18:2(9Z,12Z))",FLXFESILEUFIBE-SHAXIEEXSA-N
HMDB07908,725.499554797,C40H72NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13-16,19-20,23,25,38H,6-12,17-18,21-22,24,26-37H2,1-5H3/b15-13-,16-14-,20-19-,25-23-/t38-/m1/s1",MVGBUJJTKGIFFM,OTEGYGNMSA,N,"PC(14:1(9Z)/18:3(6Z,9Z,12Z))",MVGBUJJTKGIFFM-OTEGYGNMSA-N
HMDB07909,725.499554797,C40H72NO8P,CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h8,10,13-16,19-20,38H,6-7,9,11-12,17-18,21-37H2,1-5H3/b10-8-,15-13-,16-14-,20-19-/t38-/m1/s1",BPBWECRGAITUAO,RPHNJZPISA,N,"PC(14:1(9Z)/18:3(9Z,12Z,15Z))",BPBWECRGAITUAO-RPHNJZPISA-N
HMDB07910,723.483904733,C40H70NO8P,CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C40H70NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h8,10,13-16,19-20,23,25,38H,6-7,9,11-12,17-18,21-22,24,26-37H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,25-23-/t38-/m1/s1",GQQJQXMNOAGLTM,FFXQNCORSA,N,"PC(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",GQQJQXMNOAGLTM-FFXQNCORSA-N
HMDB07911,759.577805117,C42H82NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13,15,40H,6-12,14,16-39H2,1-5H3/b15-13-/t40-/m1/s1",SJLGFZBXPQKJIH,LLVYEJTBSA,N,PC(14:1(9Z)/20:0),SJLGFZBXPQKJIH-LLVYEJTBSA-N
HMDB07912,757.562155053,C42H80NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13,15,19-20,40H,6-12,14,16-18,21-39H2,1-5H3/b15-13-,20-19-/t40-/m1/s1",OLUKQTJCNPHKRC,LYJZGNKWSA,N,PC(14:1(9Z)/20:1(11Z)),OLUKQTJCNPHKRC-LYJZGNKWSA-N
HMDB07913,755.546504989,C42H78NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13-16,19-20,40H,6-12,17-18,21-39H2,1-5H3/b15-13-,16-14-,20-19-/t40-/m1/s1",KBHCBANQRIOXLD,FRPVHTQQSA,N,"PC(14:1(9Z)/20:2(11Z,14Z))",KBHCBANQRIOXLD-FRPVHTQQSA-N
HMDB07914,753.530854925,C42H76NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13,15,19-20,22-23,27,29,40H,6-12,14,16-18,21,24-26,28,30-39H2,1-5H3/b15-13-,20-19-,23-22-,29-27-/t40-/m1/s1",PONMSDSBSOWGHR,DKHJBHHKSA,N,"PC(14:1(9Z)/20:3(5Z,8Z,11Z))",PONMSDSBSOWGHR-DKHJBHHKSA-N
HMDB07915,753.530854925,C42H76NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13-16,19-20,22-23,40H,6-12,17-18,21,24-39H2,1-5H3/b15-13-,16-14-,20-19-,23-22-/t40-/m1/s1",MGHZJKXUBUUNJR,PCBJBAEXSA,N,"PC(14:1(9Z)/20:3(8Z,11Z,14Z))",MGHZJKXUBUUNJR-PCBJBAEXSA-N
HMDB07916,751.515204861,C42H74NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13-16,19-20,22-23,27,29,40H,6-12,17-18,21,24-26,28,30-39H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,29-27-/t40-/m1/s1",QVSPZSNXLLWRIJ,UFHOOPDGSA,N,"PC(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",QVSPZSNXLLWRIJ-UFHOOPDGSA-N
HMDB07917,751.515204861,C42H74NO8P,CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,40H,6-7,9,11-12,17-18,21,24-39H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-/t40-/m1/s1",FMCBOMUXXLDCEC,NEBVRQHBSA,N,"PC(14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",FMCBOMUXXLDCEC-NEBVRQHBSA-N
HMDB07918,749.499554797,C42H72NO8P,CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,27,29,40H,6-7,9,11-12,17-18,21,24-26,28,30-39H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,29-27-/t40-/m1/s1",RGCIWJSUIPUYAM,DSMUOFFXSA,N,"PC(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RGCIWJSUIPUYAM-DSMUOFFXSA-N
HMDB07919,787.609105245,C44H86NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13,15,42H,6-12,14,16-41H2,1-5H3/b15-13-/t42-/m1/s1",OSTGKIDWKPXCRQ,FASREOMLSA,N,PC(14:1(9Z)/22:0),OSTGKIDWKPXCRQ-FASREOMLSA-N
HMDB07920,785.593455181,C44H84NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13,15,19-20,42H,6-12,14,16-18,21-41H2,1-5H3/b15-13-,20-19-/t42-/m1/s1",CGXBWJDAGMQUFG,MHJIJCEHSA,N,PC(14:1(9Z)/22:1(13Z)),CGXBWJDAGMQUFG-MHJIJCEHSA-N
HMDB07921,783.577805117,C44H82NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13-16,19-20,42H,6-12,17-18,21-41H2,1-5H3/b15-13-,16-14-,20-19-/t42-/m1/s1",LMYYUVAVNWPEPG,GXAHKNHCSA,N,"PC(14:1(9Z)/22:2(13Z,16Z))",LMYYUVAVNWPEPG-GXAHKNHCSA-N
HMDB07922,779.546504989,C44H78NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13-16,19-20,22-23,25,27,42H,6-12,17-18,21,24,26,28-41H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1",XBLSNYPBWMKQLW,WPNBCRARSA,N,"PC(14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",XBLSNYPBWMKQLW-WPNBCRARSA-N
HMDB07923,777.530854925,C44H76NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13-16,19-20,22-23,25,27,31,33,42H,6-12,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",KFMGBOJDAOKOJL,OBYOARCJSA,N,"PC(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KFMGBOJDAOKOJL-OBYOARCJSA-N
HMDB07924,777.530854925,C44H76NO8P,CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,25,27,42H,6-7,9,11-12,17-18,21,24,26,28-41H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1",QXPGEDBVJUZDLW,WKOATJLPSA,N,"PC(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QXPGEDBVJUZDLW-WKOATJLPSA-N
HMDB07925,775.515204861,C44H74NO8P,CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,25,27,31,33,42H,6-7,9,11-12,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CQAZMJNMKVCUQL,PLTOFNHWSA,N,"PC(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CQAZMJNMKVCUQL-PLTOFNHWSA-N
HMDB07926,815.640405373,C46H90NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h13,15,44H,6-12,14,16-43H2,1-5H3/b15-13-/t44-/m1/s1",CGKBIHDFAQJNDL,KTKPPDABSA,N,PC(14:1(9Z)/24:0),CGKBIHDFAQJNDL-KTKPPDABSA-N
HMDB07927,813.624755309,C46H88NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h13,15,19-20,44H,6-12,14,16-18,21-43H2,1-5H3/b15-13-,20-19-/t44-/m1/s1",ODKRDLFMXDISEG,BERHWORVSA,N,PC(14:1(9Z)/24:1(15Z)),ODKRDLFMXDISEG-BERHWORVSA-N
HMDB07928,687.520290239,C38H74NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C38H74NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39(3,4)5)35-44-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h13,15,30,33,37H,6-12,14,16-29,31-32,34-36H2,1-5H3/b15-13-,33-30-",RGNREBXBINFRJY,CNJFTRQRSA,N,PC(14:1(9Z)/P-16:0),RGNREBXBINFRJY-CNJFTRQRSA-N
HMDB07929,715.551590367,C40H78NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15,32,35,39H,6-12,14,16-31,33-34,36-38H2,1-5H3/b15-13-,35-32-",KSNPZAABSICMCR,CQWYKKOZSA,N,PC(14:1(9Z)/P-18:0),KSNPZAABSICMCR-CQWYKKOZSA-N
HMDB07930,713.535940303,C40H76NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H76NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15-16,18,32,35,39H,6-12,14,17,19-31,33-34,36-38H2,1-5H3/b15-13-,18-16-,35-32-",AWIMNAYXZNZGLW,NGYPZWAFSA,N,PC(14:1(9Z)/P-18:1(11Z)),AWIMNAYXZNZGLW-NGYPZWAFSA-N
HMDB07931,713.535940303,C40H76NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H76NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15,19-20,32,35,39H,6-12,14,16-18,21-31,33-34,36-38H2,1-5H3/b15-13-,20-19-,35-32-",LJBPTQCYACDIMR,WLTDODEOSA,N,PC(14:1(9Z)/P-18:1(9Z)),LJBPTQCYACDIMR-WLTDODEOSA-N
HMDB07932,691.515204861,C37H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H74NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38(3,4)5)46-37(40)30-28-26-24-22-19-17-15-13-11-9-7-2/h35H,6-34H2,1-5H3/t35-/m1/s1",NRUYJKRRJLLXGF,PGUFJCEWSA,N,PC(15:0/14:0),NRUYJKRRJLLXGF-PGUFJCEWSA-N
HMDB07933,689.499554797,C37H72NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H72NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38(3,4)5)46-37(40)30-28-26-24-22-19-17-15-13-11-9-7-2/h13,15,35H,6-12,14,16-34H2,1-5H3/b15-13-/t35-/m1/s1",QHCPMHATQOFCBT,JUOLSMOWSA,N,PC(15:0/14:1(9Z)),QHCPMHATQOFCBT-JUOLSMOWSA-N
HMDB07934,705.530854925,C38H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1",LJARBVLDSOWRJT,PSXMRANNSA,N,PC(15:0/15:0),LJARBVLDSOWRJT-PSXMRANNSA-N
HMDB07935,719.546504989,C39H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37H,6-36H2,1-5H3/t37-/m1/s1",LLHISNQVRRYJGL,DIPNUNPCSA,N,PC(15:0/16:0),LLHISNQVRRYJGL-DIPNUNPCSA-N
HMDB07936,717.530854925,C39H76NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,37H,6-15,17,19-36H2,1-5H3/b18-16-/t37-/m1/s1",QFVHCMLUKNHDSH,WTWBAFHPSA,N,PC(15:0/16:1(9Z)),QFVHCMLUKNHDSH-WTWBAFHPSA-N
HMDB07937,747.577805117,C41H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/t39-/m1/s1",SKPMPGXBXHJZPS,LDLOPFEMSA,N,PC(15:0/18:0),SKPMPGXBXHJZPS-LDLOPFEMSA-N
HMDB07938,745.562155053,C41H80NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16,18,39H,6-15,17,19-38H2,1-5H3/b18-16-/t39-/m1/s1",GXTATYLPYLLNLV,MGIDVFSBSA,N,PC(15:0/18:1(11Z)),GXTATYLPYLLNLV-MGIDVFSBSA-N
HMDB07939,745.562155053,C41H80NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,39H,6-19,22-38H2,1-5H3/b21-20-/t39-/m1/s1",ZEWLMKXMNQOCOQ,KUNNKMQBSA,N,PC(15:0/18:1(9Z)),ZEWLMKXMNQOCOQ-KUNNKMQBSA-N
HMDB07940,743.546504989,C41H78NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h14,16,20-21,39H,6-13,15,17-19,22-38H2,1-5H3/b16-14-,21-20-/t39-/m1/s1",DGBYUHHIADYUMU,UESLNCBNSA,N,"PC(15:0/18:2(9Z,12Z))",DGBYUHHIADYUMU-UESLNCBNSA-N
HMDB07941,741.530854925,C41H76NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h14,16,20-21,24,26,39H,6-13,15,17-19,22-23,25,27-38H2,1-5H3/b16-14-,21-20-,26-24-/t39-/m1/s1",VZPPRGZNTVUBLP,UKNPSHDRSA,N,"PC(15:0/18:3(6Z,9Z,12Z))",VZPPRGZNTVUBLP-UKNPSHDRSA-N
HMDB07942,741.530854925,C41H76NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,39H,6-7,9,11-13,15,17-19,22-38H2,1-5H3/b10-8-,16-14-,21-20-/t39-/m1/s1",FHTHYAKSWVNHHC,GZVVHSCDSA,N,"PC(15:0/18:3(9Z,12Z,15Z))",FHTHYAKSWVNHHC-GZVVHSCDSA-N
HMDB07943,739.515204861,C41H74NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H74NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,24,26,39H,6-7,9,11-13,15,17-19,22-23,25,27-38H2,1-5H3/b10-8-,16-14-,21-20-,26-24-/t39-/m1/s1",DPPYJZPUMHOJFQ,IASQADCASA,N,"PC(15:0/18:4(6Z,9Z,12Z,15Z))",DPPYJZPUMHOJFQ-IASQADCASA-N
HMDB07944,775.609105245,C43H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/t41-/m1/s1",OUQNLKQTFDIKCN,VQJSHJPSSA,N,PC(15:0/20:0),OUQNLKQTFDIKCN-VQJSHJPSSA-N
HMDB07945,773.593455181,C43H84NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h20-21,41H,6-19,22-40H2,1-5H3/b21-20-/t41-/m1/s1",TYQXQGGTOWQUKL,HFWGUVFESA,N,PC(15:0/20:1(11Z)),TYQXQGGTOWQUKL-HFWGUVFESA-N
HMDB07946,771.577805117,C43H82NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h14,16,20-21,41H,6-13,15,17-19,22-40H2,1-5H3/b16-14-,21-20-/t41-/m1/s1",XSSUJRSOHXBICQ,GPDPEMMZSA,N,"PC(15:0/20:2(11Z,14Z))",XSSUJRSOHXBICQ-GPDPEMMZSA-N
HMDB07947,769.562155053,C43H80NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h20-21,23-24,28,30,41H,6-19,22,25-27,29,31-40H2,1-5H3/b21-20-,24-23-,30-28-/t41-/m1/s1",HPSXRQYORYXLNT,WPCOGVEASA,N,"PC(15:0/20:3(5Z,8Z,11Z))",HPSXRQYORYXLNT-WPCOGVEASA-N
HMDB07948,769.562155053,C43H80NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,41H,6-13,15,17-19,22,25-40H2,1-5H3/b16-14-,21-20-,24-23-/t41-/m1/s1",ILVRORZGIYNHIC,XWIBIVISSA,N,"PC(15:0/20:3(8Z,11Z,14Z))",ILVRORZGIYNHIC-XWIBIVISSA-N
HMDB07949,767.546504989,C43H78NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,28,30,41H,6-13,15,17-19,22,25-27,29,31-40H2,1-5H3/b16-14-,21-20-,24-23-,30-28-/t41-/m1/s1",ZSWHHKKYMMYPPD,MSZSINMWSA,N,"PC(15:0/20:4(5Z,8Z,11Z,14Z))",ZSWHHKKYMMYPPD-MSZSINMWSA-N
HMDB07950,767.546504989,C43H78NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,41H,6-7,9,11-13,15,17-19,22,25-40H2,1-5H3/b10-8-,16-14-,21-20-,24-23-/t41-/m1/s1",JSXZJOMDSXRJMT,WRMCHHCUSA,N,"PC(15:0/20:4(8Z,11Z,14Z,17Z))",JSXZJOMDSXRJMT-WRMCHHCUSA-N
HMDB07951,765.530854925,C43H76NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,28,30,41H,6-7,9,11-13,15,17-19,22,25-27,29,31-40H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,30-28-/t41-/m1/s1",UJMUDAMKHIWLCZ,OTHSKKDYSA,N,"PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z))",UJMUDAMKHIWLCZ-OTHSKKDYSA-N
HMDB07952,801.624755309,C45H88NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h20-21,43H,6-19,22-42H2,1-5H3/b21-20-/t43-/m1/s1",PLTKEAGCIHGGIK,MHBLLLATSA,N,PC(15:0/22:1(13Z)),PLTKEAGCIHGGIK-MHBLLLATSA-N
HMDB07953,803.640405373,C45H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1",QIDZFMDALJEYDR,VZUYHUTRSA,N,PC(15:0/22:0),QIDZFMDALJEYDR-VZUYHUTRSA-N
HMDB07954,799.609105245,C45H86NO8P,CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h14,16,20-21,43H,6-13,15,17-19,22-42H2,1-5H3/b16-14-,21-20-/t43-/m1/s1",PJWLBXAALWGJFW,NXTJWINRSA,N,"PC(15:0/22:2(13Z,16Z))",PJWLBXAALWGJFW-NXTJWINRSA-N
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HMDB07974,755.546504989,C42H78NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,25,27,40H,6-13,15,17-19,22-24,26,28-39H2,1-5H3/b16-14-,21-20-,27-25-/t40-/m1/s1",CNNSEHUKQJCGTE,UPPWDXJYSA,N,"PC(16:0/18:3(6Z,9Z,12Z))",CNNSEHUKQJCGTE-UPPWDXJYSA-N
HMDB07975,755.546504989,C42H78NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,40H,6-7,9,11-13,15,17-19,22-39H2,1-5H3/b10-8-,16-14-,21-20-/t40-/m1/s1",JMAYDGBZRHQJAT,QWFQJEORSA,N,"PC(16:0/18:3(9Z,12Z,15Z))",JMAYDGBZRHQJAT-QWFQJEORSA-N
HMDB07976,753.530854925,C42H76NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,25,27,40H,6-7,9,11-13,15,17-19,22-24,26,28-39H2,1-5H3/b10-8-,16-14-,21-20-,27-25-/t40-/m1/s1",USCDCOXUROEQQA,ZPWYYLPXSA,N,"PC(16:0/18:4(6Z,9Z,12Z,15Z))",USCDCOXUROEQQA-ZPWYYLPXSA-N
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HMDB07981,783.577805117,C44H82NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,42H,6-13,15,17-19,22,24,26-41H2,1-5H3/b16-14-,21-20-,25-23-/t42-/m1/s1",SRIGHEHXEGELQJ,YYQUKWHJSA,N,"PC(16:0/20:3(8Z,11Z,14Z))",SRIGHEHXEGELQJ-YYQUKWHJSA-N
HMDB07982,781.562155053,C44H80NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b16-14-,21-20-,25-23-,31-29-/t42-/m1/s1",IIZPXYDJLKNOIY,JXPKJXOSSA,N,"PC(16:0/20:4(5Z,8Z,11Z,14Z))",IIZPXYDJLKNOIY-JXPKJXOSSA-N
HMDB07983,781.562155053,C44H80NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,42H,6-7,9,11-13,15,17-19,22,24,26-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-/t42-/m1/s1",JAVWFBAAZSHHAD,HCYAGMRRSA,N,"PC(16:0/20:4(8Z,11Z,14Z,17Z))",JAVWFBAAZSHHAD-HCYAGMRRSA-N
HMDB07984,779.546504989,C44H78NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,29,31,42H,6-7,9,11-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,31-29-/t42-/m1/s1",KLTHQSWIRFFBRI,CPFPVJFHSA,N,"PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))",KLTHQSWIRFFBRI-CPFPVJFHSA-N
HMDB07985,817.656055437,C46H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1",GHBAFISLPNCOEP,USYZEHPZSA,N,PC(16:0/22:0),GHBAFISLPNCOEP-USYZEHPZSA-N
HMDB07986,815.640405373,C46H90NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,44H,6-19,22-43H2,1-5H3/b21-20-/t44-/m1/s1",BBIXKOPOMMUIOM,UIJSWADASA,N,PC(16:0/22:1(13Z)),BBIXKOPOMMUIOM-UIJSWADASA-N
HMDB07987,813.624755309,C46H88NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16,20-21,44H,6-13,15,17-19,22-43H2,1-5H3/b16-14-,21-20-/t44-/m1/s1",YDPRTRLGCLYYCF,PCBXQKGDSA,N,"PC(16:0/22:2(13Z,16Z))",YDPRTRLGCLYYCF-PCBXQKGDSA-N
HMDB07988,809.593455181,C46H84NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,27,29,44H,6-13,15,17-19,22,25-26,28,30-43H2,1-5H3/b16-14-,21-20-,24-23-,29-27-/t44-/m1/s1",IRWRFKUTKSUFST,MDYGELLQSA,N,"PC(16:0/22:4(7Z,10Z,13Z,16Z))",IRWRFKUTKSUFST-MDYGELLQSA-N
HMDB07989,807.577805117,C46H82NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,27,29,33,35,44H,6-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1",MWXAIAMSOXOQJK,JIXVGTEKSA,N,"PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z))",MWXAIAMSOXOQJK-JIXVGTEKSA-N
HMDB07990,807.577805117,C46H82NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-/t44-/m1/s1",ARDJUHDXABDVFH,ZHSIBHBUSA,N,"PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z))",ARDJUHDXABDVFH-ZHSIBHBUSA-N
HMDB07991,805.562155053,C46H80NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1",IESVDEZGAHUQJU,ZLBXKVHBSA,N,"PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IESVDEZGAHUQJU-ZLBXKVHBSA-N
HMDB07992,845.687355565,C48H96NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/t46-/m1/s1",UEWKKZXJWBVMLY,YACUFSJGSA,N,PC(16:0/24:0),UEWKKZXJWBVMLY-YACUFSJGSA-N
HMDB07993,843.671705501,C48H94NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,46H,6-19,22-45H2,1-5H3/b21-20-/t46-/m1/s1",XUCOLWONUSFHRC,QFQSVWFISA,N,PC(16:0/24:1(15Z)),XUCOLWONUSFHRC-QFQSVWFISA-N
HMDB07994,717.567240431,C40H80NO7P,CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32-",KEVGQWGZKKFGDC,JCUPVDEDSA,N,PC(16:0/P-16:0),KEVGQWGZKKFGDC-JCUPVDEDSA-N
HMDB07995,745.598540559,C42H84NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/b37-34-",ZHGQEEXMBLDUGR,LLLYXHGFSA,N,PC(16:0/P-18:0),ZHGQEEXMBLDUGR-LLLYXHGFSA-N
HMDB07996,743.582890495,C42H82NO7P,CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16,18,34,37,41H,6-15,17,19-33,35-36,38-40H2,1-5H3/b18-16-,37-34-",MPQGNHKVOVYEEN,RTVLTNFHSA,N,PC(16:0/P-18:1(11Z)),MPQGNHKVOVYEEN-RTVLTNFHSA-N
HMDB07997,743.582890495,C42H82NO7P,CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,34,37,41H,6-19,22-33,35-36,38-40H2,1-5H3/b21-20-,37-34-",UQCSRPHVLJIYTA,ADJITVTDSA,N,PC(16:0/P-18:1(9Z)),UQCSRPHVLJIYTA-ADJITVTDSA-N
HMDB07998,703.515204861,C38H74NO8P,CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h16,18,36H,6-15,17,19-35H2,1-5H3/b18-16-/t36-/m1/s1",RHCWZMAZVBVICJ,IZNHTBNISA,N,PC(16:1(9Z)/14:0),RHCWZMAZVBVICJ-IZNHTBNISA-N
HMDB07999,701.499554797,C38H72NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C38H72NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h13,15-16,18,36H,6-12,14,17,19-35H2,1-5H3/b15-13-,18-16-/t36-/m1/s1",WEVWHXAKLAWWAP,KQGJYXFZSA,N,PC(16:1(9Z)/14:1(9Z)),WEVWHXAKLAWWAP-KQGJYXFZSA-N
HMDB08000,717.530854925,C39H76NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C39H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-26-24-21-19-17-15-13-11-9-7-2/h16,18,37H,6-15,17,19-36H2,1-5H3/b18-16-/t37-/m1/s1",DZDGAJVMZIHSLH,WTWBAFHPSA,N,PC(16:1(9Z)/15:0),DZDGAJVMZIHSLH-WTWBAFHPSA-N
HMDB08001,731.546504989,C40H78NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,38H,6-15,17,19-37H2,1-5H3/b18-16-/t38-/m1/s1",IPMVHVDAYPUFKH,WYRBGLKBSA,N,PC(16:1(9Z)/16:0),IPMVHVDAYPUFKH-WYRBGLKBSA-N
HMDB08002,729.530854925,C40H76NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,38H,6-15,20-37H2,1-5H3/b18-16-,19-17-/t38-/m1/s1",GPWHCUUIQMGELX,VHQDNGOZSA,N,PC(16:1(9Z)/16:1(9Z)),GPWHCUUIQMGELX-VHQDNGOZSA-N
HMDB08003,759.577805117,C42H82NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h17,19,40H,6-16,18,20-39H2,1-5H3/b19-17-/t40-/m1/s1",LJUDFFWSOQEQKW,QCFYSATCSA,N,PC(16:1(9Z)/18:0),LJUDFFWSOQEQKW-QCFYSATCSA-N
HMDB08004,757.562155053,C42H80NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16-19,40H,6-15,20-39H2,1-5H3/b18-16-,19-17-/t40-/m1/s1",JUVGBPLHSDPAMK,JSLHZOBYSA,N,PC(16:1(9Z)/18:1(11Z)),JUVGBPLHSDPAMK-JSLHZOBYSA-N
HMDB08005,757.562155053,C42H80NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h17,19-21,40H,6-16,18,22-39H2,1-5H3/b19-17-,21-20-/t40-/m1/s1",ZRCWDIULNHKQRD,RWGOWQMXSA,N,PC(16:1(9Z)/18:1(9Z)),ZRCWDIULNHKQRD-RWGOWQMXSA-N
HMDB08006,755.546504989,C42H78NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,40H,6-13,15,18,22-39H2,1-5H3/b16-14-,19-17-,21-20-/t40-/m1/s1",QJWDAOSZZYVBJZ,KXESGEQTSA,N,"PC(16:1(9Z)/18:2(9Z,12Z))",QJWDAOSZZYVBJZ-KXESGEQTSA-N
HMDB08007,753.530854925,C42H76NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,25,27,40H,6-13,15,18,22-24,26,28-39H2,1-5H3/b16-14-,19-17-,21-20-,27-25-/t40-/m1/s1",ZZLFVAJFRYBVSN,URBNVOGLSA,N,"PC(16:1(9Z)/18:3(6Z,9Z,12Z))",ZZLFVAJFRYBVSN-URBNVOGLSA-N
HMDB08008,753.530854925,C42H76NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,40H,6-7,9,11-13,15,18,22-39H2,1-5H3/b10-8-,16-14-,19-17-,21-20-/t40-/m1/s1",MMUCLZZSNHBNFL,KBTBXKTRSA,N,"PC(16:1(9Z)/18:3(9Z,12Z,15Z))",MMUCLZZSNHBNFL-KBTBXKTRSA-N
HMDB08009,751.515204861,C42H74NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,25,27,40H,6-7,9,11-13,15,18,22-24,26,28-39H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,27-25-/t40-/m1/s1",ZNSRWHZSOOOECB,IHLJWWGMSA,N,"PC(16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",ZNSRWHZSOOOECB-IHLJWWGMSA-N
HMDB08010,787.609105245,C44H86NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h17,19,42H,6-16,18,20-41H2,1-5H3/b19-17-/t42-/m1/s1",YFGYYMPGHQJKLU,HTDYWKJCSA,N,PC(16:1(9Z)/20:0),YFGYYMPGHQJKLU-HTDYWKJCSA-N
HMDB08011,785.593455181,C44H84NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h17,19-21,42H,6-16,18,22-41H2,1-5H3/b19-17-,21-20-/t42-/m1/s1",RPEHVLWFOYUNMD,NPCYKUJHSA,N,PC(16:1(9Z)/20:1(11Z)),RPEHVLWFOYUNMD-NPCYKUJHSA-N
HMDB08012,783.577805117,C44H82NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,42H,6-13,15,18,22-41H2,1-5H3/b16-14-,19-17-,21-20-/t42-/m1/s1",IIGHFIDXVYEMME,ZAEMQJNLSA,N,"PC(16:1(9Z)/20:2(11Z,14Z))",IIGHFIDXVYEMME-ZAEMQJNLSA-N
HMDB08013,781.562155053,C44H80NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h17,19-21,23,25,29,31,42H,6-16,18,22,24,26-28,30,32-41H2,1-5H3/b19-17-,21-20-,25-23-,31-29-/t42-/m1/s1",SKHRULFMZYNDLW,IRKGUOCTSA,N,"PC(16:1(9Z)/20:3(5Z,8Z,11Z))",SKHRULFMZYNDLW-IRKGUOCTSA-N
HMDB08014,781.562155053,C44H80NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,23,25,42H,6-13,15,18,22,24,26-41H2,1-5H3/b16-14-,19-17-,21-20-,25-23-/t42-/m1/s1",SCFKGVINVZBYAF,MLQXCARSSA,N,"PC(16:1(9Z)/20:3(8Z,11Z,14Z))",SCFKGVINVZBYAF-MLQXCARSSA-N
HMDB08015,779.546504989,C44H78NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,23,25,29,31,42H,6-13,15,18,22,24,26-28,30,32-41H2,1-5H3/b16-14-,19-17-,21-20-,25-23-,31-29-/t42-/m1/s1",DYDDZDMJSQYFGN,OIVUZXIWSA,N,"PC(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",DYDDZDMJSQYFGN-OIVUZXIWSA-N
HMDB08016,779.546504989,C44H78NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23,25,42H,6-7,9,11-13,15,18,22,24,26-41H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,25-23-/t42-/m1/s1",NJKOHDXHBBUJBZ,HVRDEFPWSA,N,"PC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",NJKOHDXHBBUJBZ-HVRDEFPWSA-N
HMDB08017,777.530854925,C44H76NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23,25,29,31,42H,6-7,9,11-13,15,18,22,24,26-28,30,32-41H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,25-23-,31-29-/t42-/m1/s1",IITWSVMUNFGFQI,MMWBFVNXSA,N,"PC(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IITWSVMUNFGFQI-MMWBFVNXSA-N
HMDB08018,815.640405373,C46H90NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h17,19,44H,6-16,18,20-43H2,1-5H3/b19-17-/t44-/m1/s1",PIILEMYAXFKXLL,VPMPJQFESA,N,PC(16:1(9Z)/22:0),PIILEMYAXFKXLL-VPMPJQFESA-N
HMDB08019,813.624755309,C46H88NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h17,19-21,44H,6-16,18,22-43H2,1-5H3/b19-17-,21-20-/t44-/m1/s1",NSQLRYUSTKZAMB,YXDXVYMNSA,N,PC(16:1(9Z)/22:1(13Z)),NSQLRYUSTKZAMB-YXDXVYMNSA-N
HMDB08020,811.609105245,C46H86NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,44H,6-13,15,18,22-43H2,1-5H3/b16-14-,19-17-,21-20-/t44-/m1/s1",IHEXWEKEFCKFEL,UTIGHQPQSA,N,"PC(16:1(9Z)/22:2(13Z,16Z))",IHEXWEKEFCKFEL-UTIGHQPQSA-N
HMDB08021,807.577805117,C46H82NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,23-24,27,29,44H,6-13,15,18,22,25-26,28,30-43H2,1-5H3/b16-14-,19-17-,21-20-,24-23-,29-27-/t44-/m1/s1",XJISBSFDFOVVHI,QIOBQPIHSA,N,"PC(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",XJISBSFDFOVVHI-QIOBQPIHSA-N
HMDB08022,805.562155053,C46H80NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,23-24,27,29,33,35,44H,6-13,15,18,22,25-26,28,30-32,34,36-43H2,1-5H3/b16-14-,19-17-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1",WCODZEYPAWOVBI,UMQSOSPQSA,N,"PC(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WCODZEYPAWOVBI-UMQSOSPQSA-N
HMDB08023,803.546504989,C46H78NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,18,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1",DLRNZUPJXRVWRW,FKZZUUMNSA,N,"PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DLRNZUPJXRVWRW-FKZZUUMNSA-N
HMDB08024,805.562155053,C46H80NO8P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27,29,44H,6-7,9,11-13,15,18,22,25-26,28,30-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,29-27-/t44-/m1/s1",WNHOGFDQJFYPDE,GBGUCBAQSA,N,"PC(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WNHOGFDQJFYPDE-GBGUCBAQSA-N
HMDB08025,843.671705501,C48H94NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h17,19,46H,6-16,18,20-45H2,1-5H3/b19-17-/t46-/m1/s1",IFFKOYCNNLGBBE,VGURBHAXSA,N,PC(16:1(9Z)/24:0),IFFKOYCNNLGBBE-VGURBHAXSA-N
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HMDB08050,807.577805117,C46H82NO8P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,44H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-/t44-/m1/s1",ZMNDHWFRGYCJKG,UQIQIHEKSA,N,"PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZMNDHWFRGYCJKG-UQIQIHEKSA-N
HMDB08051,845.687355565,C48H96NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/t46-/m1/s1",XCPRRNDRDMFPPP,YACUFSJGSA,N,PC(18:0/22:0),XCPRRNDRDMFPPP-YACUFSJGSA-N
HMDB08052,843.671705501,C48H94NO8P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,46H,6-19,21,23-45H2,1-5H3/b22-20-/t46-/m1/s1",PQUQBWAOWNGATH,USIWBXHFSA,N,PC(18:0/22:1(13Z)),PQUQBWAOWNGATH-USIWBXHFSA-N
HMDB08053,841.656055437,C48H92NO8P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,46H,6-13,15,17-19,21,23-45H2,1-5H3/b16-14-,22-20-/t46-/m1/s1",QSSXNEFJRXXKQD,SZAAGBBJSA,N,"PC(18:0/22:2(13Z,16Z))",QSSXNEFJRXXKQD-SZAAGBBJSA-N
HMDB08054,837.624755309,C48H88NO8P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,46H,6-13,15,17-19,21,23,26-28,30,32-45H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t46-/m1/s1",AXZGUCXCTZMPTR,UVGACIQRSA,N,"PC(18:0/22:4(7Z,10Z,13Z,16Z))",AXZGUCXCTZMPTR-UVGACIQRSA-N
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HMDB08056,835.609105245,C48H86NO8P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-/t46-/m1/s1",MAAMGQXOTCBPFS,JPGWWKBXSA,N,"PC(18:0/22:5(7Z,10Z,13Z,16Z,19Z))",MAAMGQXOTCBPFS-JPGWWKBXSA-N
HMDB08057,833.593455181,C48H84NO8P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1",FAUYAENFVCNTAL,PFFNLMTBSA,N,"PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FAUYAENFVCNTAL-PFFNLMTBSA-N
HMDB08058,873.718655693,C50H100NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1",JAGKNQMHXVLJKL,QSCHNALKSA,N,PC(18:0/24:0),JAGKNQMHXVLJKL-QSCHNALKSA-N
HMDB08059,871.703005629,C50H98NO8P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h20,22,48H,6-19,21,23-47H2,1-5H3/b22-20-/t48-/m1/s1",PAHPUCKPYBHMBM,RURDTVAGSA,N,PC(18:0/24:1(15Z)),PAHPUCKPYBHMBM-RURDTVAGSA-N
HMDB08060,745.598540559,C42H84NO7P,CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/b37-34-",GAFUMWKCJZPLFW,LLLYXHGFSA,N,PC(18:0/P-16:0),GAFUMWKCJZPLFW-LLLYXHGFSA-N
HMDB08061,773.629840687,C44H88NO7P,CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-",LQGHAKFUDWIULA,HYLXNHFUSA,N,PC(18:0/P-18:0),LQGHAKFUDWIULA-HYLXNHFUSA-N
HMDB08062,771.614190623,C44H86NO7P,CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,36,39,43H,6-15,17,19-35,37-38,40-42H2,1-5H3/b18-16-,39-36-",JREOXIRIVLLXMO,MWNCGOSWSA,N,PC(18:0/P-18:1(11Z)),JREOXIRIVLLXMO-MWNCGOSWSA-N
HMDB08063,771.614190623,C44H86NO7P,CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,36,39,43H,6-19,21,23-35,37-38,40-42H2,1-5H3/b22-20-,39-36-",WKBKYWULQUMFDH,DJRFHFPXSA,N,PC(18:0/P-18:1(9Z)),WKBKYWULQUMFDH-DJRFHFPXSA-N
HMDB08064,731.546504989,C40H78NO8P,CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h16,18,38H,6-15,17,19-37H2,1-5H3/b18-16-/t38-/m1/s1",ZBQGASWGCNJQQT,WYRBGLKBSA,N,PC(18:1(11Z)/14:0),ZBQGASWGCNJQQT-WYRBGLKBSA-N
HMDB08065,729.530854925,C40H76NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h13,15-16,18,38H,6-12,14,17,19-37H2,1-5H3/b15-13-,18-16-/t38-/m1/s1",KVLXYLCYQNSPQA,MIXVWNHBSA,N,PC(18:1(11Z)/14:1(9Z)),KVLXYLCYQNSPQA-MIXVWNHBSA-N
HMDB08066,745.562155053,C41H80NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h16,18,39H,6-15,17,19-38H2,1-5H3/b18-16-/t39-/m1/s1",MPKWBLNZRGSXJM,MGIDVFSBSA,N,PC(18:1(11Z)/15:0),MPKWBLNZRGSXJM-MGIDVFSBSA-N
HMDB08067,759.577805117,C42H82NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h16,18,40H,6-15,17,19-39H2,1-5H3/b18-16-/t40-/m1/s1",WPAONTMCEBPEAF,KWNHIAGJSA,N,PC(18:1(11Z)/16:0),WPAONTMCEBPEAF-KWNHIAGJSA-N
HMDB08068,757.562155053,C42H80NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h16-19,40H,6-15,20-39H2,1-5H3/b18-16-,19-17-/t40-/m1/s1",FDBAKEKHEMZAPT,JSLHZOBYSA,N,PC(18:1(11Z)/16:1(9Z)),FDBAKEKHEMZAPT-JSLHZOBYSA-N
HMDB08069,787.609105245,C44H86NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,42H,6-15,17,19-41H2,1-5H3/b18-16-/t42-/m1/s1",VSQJLPDEJFLZDH,ASXRIEHBSA,N,PC(18:1(11Z)/18:0),VSQJLPDEJFLZDH-ASXRIEHBSA-N
HMDB08070,785.593455181,C44H84NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,42H,6-15,20-41H2,1-5H3/b18-16-,19-17-/t42-/m1/s1",XUCDYRWWRZBNCQ,BHOZFUPKSA,N,PC(18:1(11Z)/18:1(11Z)),XUCDYRWWRZBNCQ-BHOZFUPKSA-N
HMDB08071,785.593455181,C44H84NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,21,23,42H,6-15,17,19-20,22,24-41H2,1-5H3/b18-16-,23-21-/t42-/m1/s1",FOECFSINPHCSNE,IYXNDCFRSA,N,PC(18:1(11Z)/18:1(9Z)),FOECFSINPHCSNE-IYXNDCFRSA-N
HMDB08072,783.577805117,C44H82NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,42H,6-14,19-20,22,24-41H2,1-5H3/b17-15-,18-16-,23-21-/t42-/m1/s1",YBNAKFLXDDROCX,YGRWKTHCSA,N,"PC(18:1(11Z)/18:2(9Z,12Z))",YBNAKFLXDDROCX-YGRWKTHCSA-N
HMDB08073,781.562155053,C44H80NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,27,29,42H,6-14,19-20,22,24-26,28,30-41H2,1-5H3/b17-15-,18-16-,23-21-,29-27-/t42-/m1/s1",MRRFMOUCAPXWJC,SSCJOAGESA,N,"PC(18:1(11Z)/18:3(6Z,9Z,12Z))",MRRFMOUCAPXWJC-SSCJOAGESA-N
HMDB08074,781.562155053,C44H80NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,42H,6-8,10,12-14,19-20,22,24-41H2,1-5H3/b11-9-,17-15-,18-16-,23-21-/t42-/m1/s1",DPEYXLDDNACOGV,ANVMUZGGSA,N,"PC(18:1(11Z)/18:3(9Z,12Z,15Z))",DPEYXLDDNACOGV-ANVMUZGGSA-N
HMDB08075,779.546504989,C44H78NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,27,29,42H,6-8,10,12-14,19-20,22,24-26,28,30-41H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,29-27-/t42-/m1/s1",QAMLWHXIPWZMCT,WXVJBZSZSA,N,"PC(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",QAMLWHXIPWZMCT-WXVJBZSZSA-N
HMDB08076,815.640405373,C46H90NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17,19,44H,6-16,18,20-43H2,1-5H3/b19-17-/t44-/m1/s1",SVGIHMPCJDYYLJ,VPMPJQFESA,N,PC(18:1(11Z)/20:0),SVGIHMPCJDYYLJ-VPMPJQFESA-N
HMDB08077,813.624755309,C46H88NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17,19-20,22,44H,6-16,18,21,23-43H2,1-5H3/b19-17-,22-20-/t44-/m1/s1",FSKYBHNTCXNMES,FKBBVPNWSA,N,PC(18:1(11Z)/20:1(11Z)),FSKYBHNTCXNMES-FKBBVPNWSA-N
HMDB08078,811.609105245,C46H86NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,44H,6-13,15,18,21,23-43H2,1-5H3/b16-14-,19-17-,22-20-/t44-/m1/s1",MLMXSUWPTPCRLG,HYYWERRFSA,N,"PC(18:1(11Z)/20:2(11Z,14Z))",MLMXSUWPTPCRLG-HYYWERRFSA-N
HMDB08079,809.593455181,C46H84NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17,19-20,22,25,27,31,33,44H,6-16,18,21,23-24,26,28-30,32,34-43H2,1-5H3/b19-17-,22-20-,27-25-,33-31-/t44-/m1/s1",GUKWLDDRYZDHHJ,QQZUSIKJSA,N,"PC(18:1(11Z)/20:3(5Z,8Z,11Z))",GUKWLDDRYZDHHJ-QQZUSIKJSA-N
HMDB08080,809.593455181,C46H84NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,44H,6-13,15,18,21,23-24,26,28-43H2,1-5H3/b16-14-,19-17-,22-20-,27-25-/t44-/m1/s1",ILTMNYOFBVFSJD,NIUYMHGESA,N,"PC(18:1(11Z)/20:3(8Z,11Z,14Z))",ILTMNYOFBVFSJD-NIUYMHGESA-N
HMDB08081,807.577805117,C46H82NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,31,33,44H,6-13,15,18,21,23-24,26,28-30,32,34-43H2,1-5H3/b16-14-,19-17-,22-20-,27-25-,33-31-/t44-/m1/s1",BHFJAGXKWFRMSK,ZUSAGPHLSA,N,"PC(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",BHFJAGXKWFRMSK-ZUSAGPHLSA-N
HMDB08082,807.577805117,C46H82NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25,27,44H,6-7,9,11-13,15,18,21,23-24,26,28-43H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,27-25-/t44-/m1/s1",JZIYIXOCSAGFBB,OYQODMOWSA,N,"PC(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",JZIYIXOCSAGFBB-OYQODMOWSA-N
HMDB08083,805.562155053,C46H80NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25,27,31,33,44H,6-7,9,11-13,15,18,21,23-24,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,27-25-,33-31-/t44-/m1/s1",BLXFIBZJVTVAKI,BLPZMAMRSA,N,"PC(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BLXFIBZJVTVAKI-BLPZMAMRSA-N
HMDB08084,843.671705501,C48H94NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h17,19,46H,6-16,18,20-45H2,1-5H3/b19-17-/t46-/m1/s1",DOKTZAMOHSCUOQ,VGURBHAXSA,N,PC(18:1(11Z)/22:0),DOKTZAMOHSCUOQ-VGURBHAXSA-N
HMDB08085,841.656055437,C48H92NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h17,19-20,22,46H,6-16,18,21,23-45H2,1-5H3/b19-17-,22-20-/t46-/m1/s1",FMYLRXULDVDXKI,WQZYGQBESA,N,PC(18:1(11Z)/22:1(13Z)),FMYLRXULDVDXKI-WQZYGQBESA-N
HMDB08086,839.640405373,C48H90NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,46H,6-13,15,18,21,23-45H2,1-5H3/b16-14-,19-17-,22-20-/t46-/m1/s1",XNHCNUBXMMIUNS,IMLSBYECSA,N,"PC(18:1(11Z)/22:2(13Z,16Z))",XNHCNUBXMMIUNS-IMLSBYECSA-N
HMDB08087,835.609105245,C48H86NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,29,31,46H,6-13,15,18,21,23,26-28,30,32-45H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,31-29-/t46-/m1/s1",BQFFJWIBGUKWIZ,DJYGVMKWSA,N,"PC(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",BQFFJWIBGUKWIZ-DJYGVMKWSA-N
HMDB08088,833.593455181,C48H84NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,29,31,35,37,46H,6-13,15,18,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1",CYJDDIDEUCNWDQ,IAOSCPQNSA,N,"PC(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CYJDDIDEUCNWDQ-IAOSCPQNSA-N
HMDB08089,833.593455181,C48H84NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,29,31,46H,6-7,9,11-13,15,18,21,23,26-28,30,32-45H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,25-24-,31-29-/t46-/m1/s1",FYVNIFOYDIIODX,KNKJIUSSSA,N,"PC(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FYVNIFOYDIIODX-KNKJIUSSSA-N
HMDB08090,831.577805117,C48H82NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,18,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1",ZEAKXAXFIRHBSN,WDYLLCCDSA,N,"PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZEAKXAXFIRHBSN-WDYLLCCDSA-N
HMDB08091,871.703005629,C50H98NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h17,19,48H,6-16,18,20-47H2,1-5H3/b19-17-/t48-/m1/s1",FPXADVQYVJYLOJ,IOVWWOAPSA,N,PC(18:1(11Z)/24:0),FPXADVQYVJYLOJ-IOVWWOAPSA-N
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HMDB08093,743.582890495,C42H82NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h16,18,34,37,41H,6-15,17,19-33,35-36,38-40H2,1-5H3/b18-16-,37-34-",QZDZCTPKRWPFFS,RTVLTNFHSA,N,PC(18:1(11Z)/P-16:0),QZDZCTPKRWPFFS-RTVLTNFHSA-N
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HMDB08122,833.593455181,C48H84NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,29,31,46H,6-7,9,11-13,15,17-19,23,27-28,30,32-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,26-21-,31-29-/t46-/m1/s1",LQILTFYUCKNMSR,JEOKZORUSA,N,"PC(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LQILTFYUCKNMSR-JEOKZORUSA-N
HMDB08123,831.577805117,C48H82NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,29,31,35,37,46H,6-7,9,11-13,15,17-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1",FPEVDFOXMCHLKL,KFDYCXSYSA,N,"PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FPEVDFOXMCHLKL-KFDYCXSYSA-N
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HMDB08125,869.687355565,C50H96NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h20-22,28,48H,6-19,23-27,29-47H2,1-5H3/b22-20-,28-21-/t48-/m1/s1",VTFFKKZKTDVMKI,JXSZFMCPSA,N,PC(18:1(9Z)/24:1(15Z)),VTFFKKZKTDVMKI-JXSZFMCPSA-N
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HMDB08128,769.598540559,C44H84NO7P,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,21,23,36,39,43H,6-15,17,19-20,22,24-35,37-38,40-42H2,1-5H3/b18-16-,23-21-,39-36-",AXIKTMZHHMNCSC,XDEIMXHKSA,N,PC(18:1(9Z)/P-18:1(11Z)),AXIKTMZHHMNCSC-XDEIMXHKSA-N
HMDB08129,769.598540559,C44H84NO7P,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,36,39,43H,6-19,24-35,37-38,40-42H2,1-5H3/b22-20-,23-21-,39-36-",BNLANPMAYYCMLY,LCXZALMSSA,N,PC(18:1(9Z)/P-18:1(9Z)),BNLANPMAYYCMLY-LCXZALMSSA-N
HMDB08130,729.530854925,C40H76NO8P,CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h14,16,19-20,38H,6-13,15,17-18,21-37H2,1-5H3/b16-14-,20-19-/t38-/m1/s1",IORKBJYFXXCDMP,GMGFYYQASA,N,"PC(18:2(9Z,12Z)/14:0)",IORKBJYFXXCDMP-GMGFYYQASA-N
HMDB08131,727.515204861,C40H74NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h13-16,19-20,38H,6-12,17-18,21-37H2,1-5H3/b15-13-,16-14-,20-19-/t38-/m1/s1",MEEAGHVLDDTFHZ,SHAXIEEXSA,N,"PC(18:2(9Z,12Z)/14:1(9Z))",MEEAGHVLDDTFHZ-SHAXIEEXSA-N
HMDB08132,743.546504989,C41H78NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C41H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h14,16,20-21,39H,6-13,15,17-19,22-38H2,1-5H3/b16-14-,21-20-/t39-/m1/s1",SBNDHGBVMZMSNL,UESLNCBNSA,N,"PC(18:2(9Z,12Z)/15:0)",SBNDHGBVMZMSNL-UESLNCBNSA-N
HMDB08133,757.562155053,C42H80NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1",FWMYJLDHIVCJCT,ZTIMHPMXSA,N,"PC(18:2(9Z,12Z)/16:0)",FWMYJLDHIVCJCT-ZTIMHPMXSA-N
HMDB08134,755.546504989,C42H78NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,40H,6-13,15,18,22-39H2,1-5H3/b16-14-,19-17-,21-20-/t40-/m1/s1",PPCVNZFMCABQCL,KXESGEQTSA,N,"PC(18:2(9Z,12Z)/16:1(9Z))",PPCVNZFMCABQCL-KXESGEQTSA-N
HMDB08135,785.593455181,C44H84NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,42H,6-13,15,17-19,21,23-41H2,1-5H3/b16-14-,22-20-/t42-/m1/s1",DZPKSVTWWIZUMS,FPUNCOTOSA,N,"PC(18:2(9Z,12Z)/18:0)",DZPKSVTWWIZUMS-FPUNCOTOSA-N
HMDB08136,783.577805117,C44H82NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,42H,6-13,15,18,21,23-41H2,1-5H3/b16-14-,19-17-,22-20-/t42-/m1/s1",YPAZQMWFRMHBBM,CLKMJQEKSA,N,"PC(18:2(9Z,12Z)/18:1(11Z))",YPAZQMWFRMHBBM-CLKMJQEKSA-N
HMDB08137,783.577805117,C44H82NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,42H,6-13,15,17-19,24-41H2,1-5H3/b16-14-,22-20-,23-21-/t42-/m1/s1",RTAZWRZKFSTMOY,NMSVECGZSA,N,"PC(18:2(9Z,12Z)/18:1(9Z))",RTAZWRZKFSTMOY-NMSVECGZSA-N
HMDB08138,781.562155053,C44H80NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1",FVXDQWZBHIXIEJ,LNDKUQBDSA,N,"PC(18:2(9Z,12Z)/18:2(9Z,12Z))",FVXDQWZBHIXIEJ-LNDKUQBDSA-N
HMDB08139,807.577805117,C46H82NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24-25,27,31,33,44H,6-14,16,18-19,23,26,28-30,32,34-43H2,1-5H3/b17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1",DCJXJVWGBOCAHZ,UZVREBQPSA,N,"PC(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",DCJXJVWGBOCAHZ-UZVREBQPSA-N
HMDB08140,779.546504989,C44H78NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,42H,6-13,18-19,24-26,28,30-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-/t42-/m1/s1",ZYUVFKWRZDKQNL,YHOYFWGCSA,N,"PC(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",ZYUVFKWRZDKQNL-YHOYFWGCSA-N
HMDB08141,779.546504989,C44H78NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,42H,6-8,10,12-13,18-19,24-41H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1",HZGAVPNEGHQJID,UNBCHYIMSA,N,"PC(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",HZGAVPNEGHQJID-UNBCHYIMSA-N
HMDB08142,777.530854925,C44H76NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,27,29,42H,6-8,10,12-13,18-19,24-26,28,30-41H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,29-27-/t42-/m1/s1",AHAUBJRIXRHFSJ,LTUZQPMLSA,N,"PC(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",AHAUBJRIXRHFSJ-LTUZQPMLSA-N
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HMDB08145,809.593455181,C46H84NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24,44H,6-13,18-19,23,25-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-/t44-/m1/s1",ORELBRKCYWQHTL,JEHIXBSSSA,N,"PC(18:2(9Z,12Z)/20:2(11Z,14Z))",ORELBRKCYWQHTL-JEHIXBSSSA-N
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HMDB08147,805.562155053,C46H80NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-25,27,31,33,44H,6-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1",ZZSZQATYGVHNLZ,PUMLCSCDSA,N,"PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",ZZSZQATYGVHNLZ-PUMLCSCDSA-N
HMDB08148,805.562155053,C46H80NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-25,27,44H,6-7,9,11-13,18-19,23,26,28-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,27-25-/t44-/m1/s1",RUHBZJXWUDKAMZ,XXAGCNFXSA,N,"PC(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",RUHBZJXWUDKAMZ-XXAGCNFXSA-N
HMDB08149,803.546504989,C46H78NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-25,27,31,33,44H,6-7,9,11-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1",HRBNRYBXXRPMKP,QNDMKCBJSA,N,"PC(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HRBNRYBXXRPMKP-QNDMKCBJSA-N
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HMDB08154,831.577805117,C48H82NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29,31,35,37,46H,6-13,18-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1",BPUROMFCPFGBOT,ZEGPSQTJSA,N,"PC(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BPUROMFCPFGBOT-ZEGPSQTJSA-N
HMDB08155,831.577805117,C48H82NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29,31,46H,6-7,9,11-13,18-19,23,27-28,30,32-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-/t46-/m1/s1",OUAMUEKHWHGDGC,SNRQWJDGSA,N,"PC(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OUAMUEKHWHGDGC-SNRQWJDGSA-N
HMDB08156,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29,31,35,37,46H,6-7,9,11-13,18-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1",FCTKCFNDGVBOBD,YZXVGOFNSA,N,"PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FCTKCFNDGVBOBD-YZXVGOFNSA-N
HMDB08157,869.687355565,C50H96NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h15,17,21,28,48H,6-14,16,18-20,22-27,29-47H2,1-5H3/b17-15-,28-21-/t48-/m1/s1",INOAKRDQRDGXPN,WPYVRAPFSA,N,"PC(18:2(9Z,12Z)/24:0)",INOAKRDQRDGXPN-WPYVRAPFSA-N
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HMDB08159,741.567240431,C42H80NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,34,37,41H,6-13,15,17-19,21,23-33,35-36,38-40H2,1-5H3/b16-14-,22-20-,37-34-",CQSFBGMPNOVJCB,QIDPJIOXSA,N,"PC(18:2(9Z,12Z)/P-16:0)",CQSFBGMPNOVJCB-QIDPJIOXSA-N
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HMDB08167,753.530854925,C42H76NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,24,26,40H,6-13,15,18,22-23,25,27-39H2,1-5H3/b16-14-,19-17-,21-20-,26-24-/t40-/m1/s1",LPHXBROJEZXFQN,HZZYYZCGSA,N,"PC(18:3(6Z,9Z,12Z)/16:1(9Z))",LPHXBROJEZXFQN-HZZYYZCGSA-N
HMDB08168,783.577805117,C44H82NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,42H,6-13,15,17-19,21,23-25,27,29-41H2,1-5H3/b16-14-,22-20-,28-26-/t42-/m1/s1",HOOCTPAZCNJQPX,OJKLBMRPSA,N,"PC(18:3(6Z,9Z,12Z)/18:0)",HOOCTPAZCNJQPX-OJKLBMRPSA-N
HMDB08169,781.562155053,C44H80NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,26,28,42H,6-13,15,18,21,23-25,27,29-41H2,1-5H3/b16-14-,19-17-,22-20-,28-26-/t42-/m1/s1",FSIVQVROUQUYAU,ODKKILQESA,N,"PC(18:3(6Z,9Z,12Z)/18:1(11Z))",FSIVQVROUQUYAU-ODKKILQESA-N
HMDB08170,781.562155053,C44H80NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,42H,6-13,15,17-19,24-25,27,29-41H2,1-5H3/b16-14-,22-20-,23-21-,28-26-/t42-/m1/s1",NKQPOVROGSWLTO,NVPMBMBWSA,N,"PC(18:3(6Z,9Z,12Z)/18:1(9Z))",NKQPOVROGSWLTO-NVPMBMBWSA-N
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HMDB08172,777.530854925,C44H76NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,42H,6-13,18-19,24-25,30-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t42-/m1/s1",YNQXQNOLOMVDLG,HJYHAXFASA,N,"PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",YNQXQNOLOMVDLG-HJYHAXFASA-N
HMDB08173,777.530854925,C44H76NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26,28,42H,6-8,10,12-13,18-19,24-25,27,29-41H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-/t42-/m1/s1",ZTJWDXHNCGVNRM,HIAIPKTQSA,N,"PC(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",ZTJWDXHNCGVNRM-HIAIPKTQSA-N
HMDB08174,775.515204861,C44H74NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H74NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,42H,6-8,10,12-13,18-19,24-25,30-41H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t42-/m1/s1",JNBUIARSEVAUBG,QZGCNTFXSA,N,"PC(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",JNBUIARSEVAUBG-QZGCNTFXSA-N
HMDB08175,811.609105245,C46H86NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,28,30,44H,6-14,16,18-20,22-23,25-27,29,31-43H2,1-5H3/b17-15-,24-21-,30-28-/t44-/m1/s1",ZVIYLLGWTBXCIL,VNXCBJMSSA,N,"PC(18:3(6Z,9Z,12Z)/20:0)",ZVIYLLGWTBXCIL-VNXCBJMSSA-N
HMDB08176,809.593455181,C46H84NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24,28,30,44H,6-14,16,18-19,23,25-27,29,31-43H2,1-5H3/b17-15-,22-20-,24-21-,30-28-/t44-/m1/s1",SVOGSAQWUMDSCM,OJCVPQOYSA,N,"PC(18:3(6Z,9Z,12Z)/20:1(11Z))",SVOGSAQWUMDSCM-OJCVPQOYSA-N
HMDB08177,807.577805117,C46H82NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24,28,30,44H,6-13,18-19,23,25-27,29,31-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,30-28-/t44-/m1/s1",JEEMMQUVRFTVSG,AZITXYQXSA,N,"PC(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))",JEEMMQUVRFTVSG-AZITXYQXSA-N
HMDB08178,805.562155053,C46H80NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24-25,27-28,30-31,33,44H,6-14,16,18-19,23,26,29,32,34-43H2,1-5H3/b17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1",ZHAKGAMMEBQJPE,VLILCDILSA,N,"PC(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",ZHAKGAMMEBQJPE-VLILCDILSA-N
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HMDB08180,803.546504989,C46H78NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-25,27-28,30-31,33,44H,6-13,18-19,23,26,29,32,34-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1",KASIRUNIOLLCQR,GHZUFWHMSA,N,"PC(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",KASIRUNIOLLCQR-GHZUFWHMSA-N
HMDB08181,803.546504989,C46H78NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-25,27-28,30,44H,6-7,9,11-13,18-19,23,26,29,31-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,27-25-,30-28-/t44-/m1/s1",OHOPRJYYDQXYAR,VASAFESOSA,N,"PC(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",OHOPRJYYDQXYAR-VASAFESOSA-N
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HMDB08184,837.624755309,C48H88NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h15,17,20-22,26,30,32,46H,6-14,16,18-19,23-25,27-29,31,33-45H2,1-5H3/b17-15-,22-20-,26-21-,32-30-/t46-/m1/s1",KRZVEGHGJRMPEH,SXHNUEEOSA,N,"PC(18:3(6Z,9Z,12Z)/22:1(13Z))",KRZVEGHGJRMPEH-SXHNUEEOSA-N
HMDB08185,835.609105245,C48H86NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,26,30,32,46H,6-13,18-19,23-25,27-29,31,33-45H2,1-5H3/b16-14-,17-15-,22-20-,26-21-,32-30-/t46-/m1/s1",FJONAKXDSCCFIL,OBASLGNKSA,N,"PC(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",FJONAKXDSCCFIL-OBASLGNKSA-N
HMDB08186,831.577805117,C48H82NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29-32,46H,6-13,18-19,23,27-28,33-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-/t46-/m1/s1",XDCGZZJBYBQDHF,SHSMOVPHSA,N,"PC(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",XDCGZZJBYBQDHF-SHSMOVPHSA-N
HMDB08187,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29-32,35,37,46H,6-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-,37-35-/t46-/m1/s1",SWQNTOGLOMHKPO,IJSXSWMXSA,N,"PC(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SWQNTOGLOMHKPO-IJSXSWMXSA-N
HMDB08188,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29-32,46H,6-7,9,11-13,18-19,23,27-28,33-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-/t46-/m1/s1",GCSCESXIBNBRJQ,MCGXXPAYSA,N,"PC(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GCSCESXIBNBRJQ-MCGXXPAYSA-N
HMDB08189,827.546504989,C48H78NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29-32,35,37,46H,6-7,9,11-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-,37-35-/t46-/m1/s1",QCEZSXZDLSGARX,JTDYEGOHSA,N,"PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QCEZSXZDLSGARX-JTDYEGOHSA-N
HMDB08190,867.671705501,C50H94NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h15,17,21,28,32,34,48H,6-14,16,18-20,22-27,29-31,33,35-47H2,1-5H3/b17-15-,28-21-,34-32-/t48-/m1/s1",XFJYUDVOMVEJBI,BZLIVWKZSA,N,"PC(18:3(6Z,9Z,12Z)/24:0)",XFJYUDVOMVEJBI-BZLIVWKZSA-N
HMDB08191,865.656055437,C50H92NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h15,17,20-22,28,32,34,48H,6-14,16,18-19,23-27,29-31,33,35-47H2,1-5H3/b17-15-,22-20-,28-21-,34-32-/t48-/m1/s1",LQQRQYIGEYFSIG,UWESVXFQSA,N,"PC(18:3(6Z,9Z,12Z)/24:1(15Z))",LQQRQYIGEYFSIG-UWESVXFQSA-N
HMDB08192,739.551590367,C42H78NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,34,37,41H,6-13,15,17-19,21,23-24,26,28-33,35-36,38-40H2,1-5H3/b16-14-,22-20-,27-25-,37-34-",XRJDZRCUSSFZDP,LHKYHRLFSA,N,"PC(18:3(6Z,9Z,12Z)/P-16:0)",XRJDZRCUSSFZDP-LHKYHRLFSA-N
HMDB08193,767.582890495,C44H82NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,36,39,43H,6-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,23-21-,29-27-,39-36-",JDCBGIJVCHLVEY,QGDGKIETSA,N,"PC(18:3(6Z,9Z,12Z)/P-18:0)",JDCBGIJVCHLVEY-QGDGKIETSA-N
HMDB08194,765.567240431,C44H80NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,27,29,36,39,43H,6-14,19-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,18-16-,23-21-,29-27-,39-36-",FSIYZOTWZBSNRL,HWGQMOSASA,N,"PC(18:3(6Z,9Z,12Z)/P-18:1(11Z))",FSIYZOTWZBSNRL-HWGQMOSASA-N
HMDB08195,765.567240431,C44H80NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,36,39,43H,6-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,39-36-",KNUHCOXKVDQBIW,UPRXZTSASA,N,"PC(18:3(6Z,9Z,12Z)/P-18:1(9Z))",KNUHCOXKVDQBIW-UPRXZTSASA-N
HMDB08196,727.515204861,C40H74NO8P,CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h8,10,14,16,19-20,38H,6-7,9,11-13,15,17-18,21-37H2,1-5H3/b10-8-,16-14-,20-19-/t38-/m1/s1",FJUVFXSFGYBNBR,XPTMXNASSA,N,"PC(18:3(9Z,12Z,15Z)/14:0)",FJUVFXSFGYBNBR-XPTMXNASSA-N
HMDB08197,725.499554797,C40H72NO8P,CCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h8,10,13-16,19-20,38H,6-7,9,11-12,17-18,21-37H2,1-5H3/b10-8-,15-13-,16-14-,20-19-/t38-/m1/s1",VMDDNEGQBQWKEU,RPHNJZPISA,N,"PC(18:3(9Z,12Z,15Z)/14:1(9Z))",VMDDNEGQBQWKEU-RPHNJZPISA-N
HMDB08198,741.530854925,C41H76NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C41H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,39H,6-7,9,11-13,15,17-19,22-38H2,1-5H3/b10-8-,16-14-,21-20-/t39-/m1/s1",DVZYZHDJKHILNT,GZVVHSCDSA,N,"PC(18:3(9Z,12Z,15Z)/15:0)",DVZYZHDJKHILNT-GZVVHSCDSA-N
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HMDB08200,753.530854925,C42H76NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,40H,6-7,9,11-13,15,18,22-39H2,1-5H3/b10-8-,16-14-,19-17-,21-20-/t40-/m1/s1",QWIZBBFFDQPBKI,KBTBXKTRSA,N,"PC(18:3(9Z,12Z,15Z)/16:1(9Z))",QWIZBBFFDQPBKI-KBTBXKTRSA-N
HMDB08201,783.577805117,C44H82NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,42H,6-7,9,11-13,15,17-19,21,23-41H2,1-5H3/b10-8-,16-14-,22-20-/t42-/m1/s1",QAVRIJZWHPNXBW,BHLPDSGJSA,N,"PC(18:3(9Z,12Z,15Z)/18:0)",QAVRIJZWHPNXBW-BHLPDSGJSA-N
HMDB08202,781.562155053,C44H80NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,42H,6-7,9,11-13,15,18,21,23-41H2,1-5H3/b10-8-,16-14-,19-17-,22-20-/t42-/m1/s1",AHEPKIJTHGCAOA,KEPRVZTLSA,N,"PC(18:3(9Z,12Z,15Z)/18:1(11Z))",AHEPKIJTHGCAOA-KEPRVZTLSA-N
HMDB08203,781.562155053,C44H80NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,42H,6-7,9,11-13,15,17-19,24-41H2,1-5H3/b10-8-,16-14-,22-20-,23-21-/t42-/m1/s1",LPDGUCIMNBNWEJ,BXZVQSHESA,N,"PC(18:3(9Z,12Z,15Z)/18:1(9Z))",LPDGUCIMNBNWEJ-BXZVQSHESA-N
HMDB08204,779.546504989,C44H78NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,42H,6-7,9,11-13,18-19,24-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1",QFDYIDGUKXRPKH,VSLGLSMXSA,N,"PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",QFDYIDGUKXRPKH-VSLGLSMXSA-N
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HMDB08207,775.515204861,C44H74NO8P,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H74NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,27,29,42H,6-7,12-13,18-19,24-26,28,30-41H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,29-27-/t42-/m1/s1",YJNNDVPQXNNREQ,XAGXQCMXSA,N,"PC(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",YJNNDVPQXNNREQ-XAGXQCMXSA-N
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HMDB08209,809.593455181,C46H84NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24,44H,6-8,10,12-14,16,18-19,23,25-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-/t44-/m1/s1",WAZYDHAWJWFGBD,LMJTUUMUSA,N,"PC(18:3(9Z,12Z,15Z)/20:1(11Z))",WAZYDHAWJWFGBD-LMJTUUMUSA-N
HMDB08210,807.577805117,C46H82NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24,44H,6-8,10,12-13,18-19,23,25-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-/t44-/m1/s1",WQYONUAQJUQROT,HTEBOPLQSA,N,"PC(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))",WQYONUAQJUQROT-HTEBOPLQSA-N
HMDB08211,805.562155053,C46H80NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24-25,27,31,33,44H,6-8,10,12-14,16,18-19,23,26,28-30,32,34-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1",STOQKWQLRLMJRQ,MAGOUTJKSA,N,"PC(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",STOQKWQLRLMJRQ-MAGOUTJKSA-N
HMDB08212,805.562155053,C46H80NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-25,27,44H,6-8,10,12-13,18-19,23,26,28-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,27-25-/t44-/m1/s1",WZLXKZRHVGVNTE,NYMMKBANSA,N,"PC(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))",WZLXKZRHVGVNTE-NYMMKBANSA-N
HMDB08213,803.546504989,C46H78NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-25,27,31,33,44H,6-8,10,12-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1",HGZLPPYISDUHEM,NCKDAWIZSA,N,"PC(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",HGZLPPYISDUHEM-NCKDAWIZSA-N
HMDB08214,803.546504989,C46H78NO8P,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27,44H,6-7,12-13,18-19,23,26,28-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,27-25-/t44-/m1/s1",ASBDJSRXIBNAIL,BIUYZDPKSA,N,"PC(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",ASBDJSRXIBNAIL-BIUYZDPKSA-N
HMDB08215,801.530854925,C46H76NO8P,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27,31,33,44H,6-7,12-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1",QQNHCRBGLPDWEW,LRFGEVPTSA,N,"PC(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QQNHCRBGLPDWEW-LRFGEVPTSA-N
HMDB08216,839.640405373,C48H90NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,46H,6-8,10,12-14,16,18-20,22-25,27-45H2,1-5H3/b11-9-,17-15-,26-21-/t46-/m1/s1",GOHLCSOGBDQPMM,NOAWTOFZSA,N,"PC(18:3(9Z,12Z,15Z)/22:0)",GOHLCSOGBDQPMM-NOAWTOFZSA-N
HMDB08217,837.624755309,C48H88NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,26,46H,6-8,10,12-14,16,18-19,23-25,27-45H2,1-5H3/b11-9-,17-15-,22-20-,26-21-/t46-/m1/s1",ZIQIWGNSQBOJMS,JUGJLYODSA,N,"PC(18:3(9Z,12Z,15Z)/22:1(13Z))",ZIQIWGNSQBOJMS-JUGJLYODSA-N
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HMDB08232,753.530854925,C42H76NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,24,26,40H,6-7,9,11-13,15,17-19,22-23,25,27-39H2,1-5H3/b10-8-,16-14-,21-20-,26-24-/t40-/m1/s1",YWDDIWXKFJEMKF,JTZVLWBESA,N,"PC(18:4(6Z,9Z,12Z,15Z)/16:0)",YWDDIWXKFJEMKF-JTZVLWBESA-N
HMDB08233,751.515204861,C42H74NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,24,26,40H,6-7,9,11-13,15,18,22-23,25,27-39H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,26-24-/t40-/m1/s1",HABFSWQTJVYUQT,GJPRVVQUSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/16:1(9Z))",HABFSWQTJVYUQT-GJPRVVQUSA-N
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HMDB08235,779.546504989,C44H78NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,26,28,42H,6-7,9,11-13,15,18,21,23-25,27,29-41H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,28-26-/t42-/m1/s1",QOXYZMOODLXNGF,DEURNQBTSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/18:1(11Z))",QOXYZMOODLXNGF-DEURNQBTSA-N
HMDB08236,779.546504989,C44H78NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26,28,42H,6-7,9,11-13,15,17-19,24-25,27,29-41H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-/t42-/m1/s1",SQOJMBITSSDGAU,MAFUUHOFSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/18:1(9Z))",SQOJMBITSSDGAU-MAFUUHOFSA-N
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HMDB08244,803.546504989,C46H78NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24-25,27-28,30-31,33,44H,6-8,10,12-14,16,18-19,23,26,29,32,34-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1",IQALIQQGLXJQRK,ZPSTWPDVSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",IQALIQQGLXJQRK-ZPSTWPDVSA-N
HMDB08245,803.546504989,C46H78NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-25,27-28,30,44H,6-8,10,12-13,18-19,23,26,29,31-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,30-28-/t44-/m1/s1",MWLAPURMHAGVIX,ZGXHMZJUSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))",MWLAPURMHAGVIX-ZGXHMZJUSA-N
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HMDB08248,799.515204861,C46H74NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H74NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27-28,30-31,33,44H,6-7,12-13,18-19,23,26,29,32,34-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1",JKQQGFLBFJQGQB,GPAMVBDASA,N,"PC(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JKQQGFLBFJQGQB-GPAMVBDASA-N
HMDB08249,837.624755309,C48H88NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,30,32,46H,6-8,10,12-14,16,18-20,22-25,27-29,31,33-45H2,1-5H3/b11-9-,17-15-,26-21-,32-30-/t46-/m1/s1",KISSKTFZLUEROR,MNPIPRPGSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/22:0)",KISSKTFZLUEROR-MNPIPRPGSA-N
HMDB08250,835.609105245,C48H86NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,26,30,32,46H,6-8,10,12-14,16,18-19,23-25,27-29,31,33-45H2,1-5H3/b11-9-,17-15-,22-20-,26-21-,32-30-/t46-/m1/s1",DJYBHEQPGXRDCL,OAUHGFOMSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",DJYBHEQPGXRDCL-OAUHGFOMSA-N
HMDB08251,833.593455181,C48H84NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,26,30,32,46H,6-8,10,12-13,18-19,23-25,27-29,31,33-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,26-21-,32-30-/t46-/m1/s1",RFHMXCPYGOPESD,JTWPCWRCSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",RFHMXCPYGOPESD-JTWPCWRCSA-N
HMDB08252,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29-32,46H,6-8,10,12-13,18-19,23,27-28,33-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-/t46-/m1/s1",UCZAOBSWZIZTLK,HRVYGAIYSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",UCZAOBSWZIZTLK-HRVYGAIYSA-N
HMDB08253,827.546504989,C48H78NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29-32,35,37,46H,6-8,10,12-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-,37-35-/t46-/m1/s1",LVYIJZGZVCNMPL,XXSGVDJXSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LVYIJZGZVCNMPL-XXSGVDJXSA-N
HMDB08254,827.546504989,C48H78NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29-32,46H,6-7,12-13,18-19,23,27-28,33-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-/t46-/m1/s1",YWGJPJMTUIQDNK,HTQQUFHWSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YWGJPJMTUIQDNK-HTQQUFHWSA-N
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HMDB08256,865.656055437,C50H92NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,28,32,34,48H,6-8,10,12-14,16,18-20,22-27,29-31,33,35-47H2,1-5H3/b11-9-,17-15-,28-21-,34-32-/t48-/m1/s1",BOJNWKCDIBUHSO,XHOIARRISA,N,"PC(18:4(6Z,9Z,12Z,15Z)/24:0)",BOJNWKCDIBUHSO-XHOIARRISA-N
HMDB08257,863.640405373,C50H90NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,28,32,34,48H,6-8,10,12-14,16,18-19,23-27,29-31,33,35-47H2,1-5H3/b11-9-,17-15-,22-20-,28-21-,34-32-/t48-/m1/s1",ASXUZHUMYDXYIQ,OPGXBSGHSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",ASXUZHUMYDXYIQ-OPGXBSGHSA-N
HMDB08258,737.535940303,C42H76NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H76NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,34,37,41H,6-7,9,11-13,15,17-19,21,23-24,26,28-33,35-36,38-40H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,37-34-",CLSCXJAQDUXCBA,DWIAYCKOSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/P-16:0)",CLSCXJAQDUXCBA-DWIAYCKOSA-N
HMDB08259,765.567240431,C44H80NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,36,39,43H,6-8,10,12-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,39-36-",FHDLSCQITSAFFT,GZVUYCLPSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/dm18:0)",FHDLSCQITSAFFT-GZVUYCLPSA-N
HMDB08260,763.551590367,C44H78NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,27,29,36,39,43H,6-8,10,12-14,19-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,29-27-,39-36-",JCIBOIAZHLGPOT,BEDVMKBTSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))",JCIBOIAZHLGPOT-BEDVMKBTSA-N
HMDB08261,763.551590367,C44H78NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,36,39,43H,6-8,10,12-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-,39-36-",KRKGEBPORBUETM,JJJJCJMPSA,N,"PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(9Z))",KRKGEBPORBUETM-JJJJCJMPSA-N
HMDB08262,761.593455181,C42H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1",GNUQJONGMHMBKN,RRHRGVEJSA,N,PC(20:0/14:0),GNUQJONGMHMBKN-RRHRGVEJSA-N
HMDB08263,759.577805117,C42H82NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13,15,40H,6-12,14,16-39H2,1-5H3/b15-13-/t40-/m1/s1",HUTFJQFEXOTHFG,LLVYEJTBSA,N,PC(20:0/14:1(9Z)),HUTFJQFEXOTHFG-LLVYEJTBSA-N
HMDB08264,775.609105245,C43H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C43H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/t41-/m1/s1",RMPXTQDWTSBVHI,VQJSHJPSSA,N,PC(20:0/15:0),RMPXTQDWTSBVHI-VQJSHJPSSA-N
HMDB08265,789.624755309,C44H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1",JJSZXCSTFDBBBZ,HUESYALOSA,N,PC(20:0/16:0),JJSZXCSTFDBBBZ-HUESYALOSA-N
HMDB08266,787.609105245,C44H86NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h17,19,42H,6-16,18,20-41H2,1-5H3/b19-17-/t42-/m1/s1",VIOCEOKULYHXNJ,HTDYWKJCSA,N,PC(20:0/16:1(9Z)),VIOCEOKULYHXNJ-HTDYWKJCSA-N
HMDB08267,817.656055437,C46H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1",PFDOAXXOABJINJ,USYZEHPZSA,N,PC(20:0/18:0),PFDOAXXOABJINJ-USYZEHPZSA-N
HMDB08268,815.640405373,C46H90NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h17,19,44H,6-16,18,20-43H2,1-5H3/b19-17-/t44-/m1/s1",FFUSYBVVEOYOMV,VPMPJQFESA,N,PC(20:0/18:1(11Z)),FFUSYBVVEOYOMV-VPMPJQFESA-N
HMDB08269,815.640405373,C46H90NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h21,24,44H,6-20,22-23,25-43H2,1-5H3/b24-21-/t44-/m1/s1",IKNYBQRADNMEDT,FHLWKLDVSA,N,PC(20:0/18:1(9Z)),IKNYBQRADNMEDT-FHLWKLDVSA-N
HMDB08270,813.624755309,C46H88NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,44H,6-14,16,18-20,22-23,25-43H2,1-5H3/b17-15-,24-21-/t44-/m1/s1",KXXLFCAPKGRXBT,FMJYHZMHSA,N,"PC(20:0/18:2(9Z,12Z))",KXXLFCAPKGRXBT-FMJYHZMHSA-N
HMDB08271,811.609105245,C46H86NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,29,31,44H,6-14,16,18-20,22-23,25-28,30,32-43H2,1-5H3/b17-15-,24-21-,31-29-/t44-/m1/s1",DLZPSAPMHALIOA,YNCVDBFYSA,N,"PC(20:0/18:3(6Z,9Z,12Z))",DLZPSAPMHALIOA-YNCVDBFYSA-N
HMDB08272,811.609105245,C46H86NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,24,44H,6-8,10,12-14,16,18-20,22-23,25-43H2,1-5H3/b11-9-,17-15-,24-21-/t44-/m1/s1",ZDCCXTFOQDDLSE,LITWNLNFSA,N,"PC(20:0/18:3(9Z,12Z,15Z))",ZDCCXTFOQDDLSE-LITWNLNFSA-N
HMDB08273,809.593455181,C46H84NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,24,29,31,44H,6-8,10,12-14,16,18-20,22-23,25-28,30,32-43H2,1-5H3/b11-9-,17-15-,24-21-,31-29-/t44-/m1/s1",UELRKDJVEHFVAI,QZOXBMLCSA,N,"PC(20:0/18:4(6Z,9Z,12Z,15Z))",UELRKDJVEHFVAI-QZOXBMLCSA-N
HMDB08274,845.687355565,C48H96NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/t46-/m1/s1",YKIOPDIXYAUOFN,YACUFSJGSA,N,PC(20:0/20:0),YKIOPDIXYAUOFN-YACUFSJGSA-N
HMDB08275,843.671705501,C48H94NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,46H,6-20,22,24-45H2,1-5H3/b23-21-/t46-/m1/s1",BUESVEVOCVSHOF,CRPILRSJSA,N,PC(20:0/20:1(11Z)),BUESVEVOCVSHOF-CRPILRSJSA-N
HMDB08276,841.656055437,C48H92NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,46H,6-14,16,18-20,22,24-45H2,1-5H3/b17-15-,23-21-/t46-/m1/s1",DGKXFLANAYRYMU,BYZVZMPQSA,N,"PC(20:0/20:2(11Z,14Z))",DGKXFLANAYRYMU-BYZVZMPQSA-N
HMDB08277,839.640405373,C48H90NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,27,29,33,35,46H,6-20,22,24-26,28,30-32,34,36-45H2,1-5H3/b23-21-,29-27-,35-33-/t46-/m1/s1",DRLPGXPQVTVTPF,WZCTXQQESA,N,"PC(20:0/20:3(5Z,8Z,11Z))",DRLPGXPQVTVTPF-WZCTXQQESA-N
HMDB08278,839.640405373,C48H90NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,46H,6-14,16,18-20,22,24-26,28,30-45H2,1-5H3/b17-15-,23-21-,29-27-/t46-/m1/s1",BRHVVSCMXSBYAI,XXXCGRBJSA,N,"PC(20:0/20:3(8Z,11Z,14Z))",BRHVVSCMXSBYAI-XXXCGRBJSA-N
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HMDB08280,837.624755309,C48H88NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,46H,6-8,10,12-14,16,18-20,22,24-26,28,30-45H2,1-5H3/b11-9-,17-15-,23-21-,29-27-/t46-/m1/s1",DDIJTWRVGORCFN,CWNWGPEUSA,N,"PC(20:0/20:4(8Z,11Z,14Z,17Z))",DDIJTWRVGORCFN-CWNWGPEUSA-N
HMDB08281,835.609105245,C48H86NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,33,35,46H,6-8,10,12-14,16,18-20,22,24-26,28,30-32,34,36-45H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,35-33-/t46-/m1/s1",GQQALHZKRGXRTO,AEMURDCYSA,N,"PC(20:0/20:5(5Z,8Z,11Z,14Z,17Z))",GQQALHZKRGXRTO-AEMURDCYSA-N
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HMDB08284,869.687355565,C50H96NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,48H,6-13,15,17-19,21,23-47H2,1-5H3/b16-14-,22-20-/t48-/m1/s1",BLJPXEWRRNWICS,NWFGWYPUSA,N,"PC(20:0/22:2(13Z,16Z))",BLJPXEWRRNWICS-NWFGWYPUSA-N
HMDB08285,865.656055437,C50H92NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,48H,6-13,15,17-19,21,23-24,26,28-30,32,34-47H2,1-5H3/b16-14-,22-20-,27-25-,33-31-/t48-/m1/s1",DTROTNUOFDHYFZ,OCTIYZTESA,N,"PC(20:0/22:4(7Z,10Z,13Z,16Z))",DTROTNUOFDHYFZ-OCTIYZTESA-N
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HMDB08287,863.640405373,C50H90NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-/t48-/m1/s1",SGYNBRXEOXADHS,CIUHTZMDSA,N,"PC(20:0/22:5(7Z,10Z,13Z,16Z,19Z))",SGYNBRXEOXADHS-CIUHTZMDSA-N
HMDB08288,861.624755309,C50H88NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,37,39,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-36,38,40-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-,39-37-/t48-/m1/s1",WAFWSBFKIPCFOF,ZDAJSWCOSA,N,"PC(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WAFWSBFKIPCFOF-ZDAJSWCOSA-N
HMDB08289,901.749955821,C52H104NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C52H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h50H,6-49H2,1-5H3/t50-/m1/s1",YQWTVKDCKKUNAT,VCZQVZGSSA,N,PC(20:0/24:0),YQWTVKDCKKUNAT-VCZQVZGSSA-N
HMDB08290,899.734305757,C52H102NO8P,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20,22,50H,6-19,21,23-49H2,1-5H3/b22-20-/t50-/m1/s1",JAMSDVDUWQNQFZ,QNQJCTKXSA,N,PC(20:0/24:1(15Z)),JAMSDVDUWQNQFZ-QNQJCTKXSA-N
HMDB08291,773.629840687,C44H88NO7P,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-",LULGGIBBAVYIAY,HYLXNHFUSA,N,PC(20:0/P-16:0),LULGGIBBAVYIAY-HYLXNHFUSA-N
HMDB08292,801.661140815,C46H92NO7P,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h38,41,45H,6-37,39-40,42-44H2,1-5H3/b41-38-",GDYYYHKXEVZRRR,GJARRJKISA,N,PC(20:0/P-18:0),GDYYYHKXEVZRRR-GJARRJKISA-N
HMDB08293,799.645490751,C46H90NO7P,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h17,19,38,41,45H,6-16,18,20-37,39-40,42-44H2,1-5H3/b19-17-,41-38-",IPQVMJPVAWGSJA,AFQYYBNPSA,N,PC(20:0/P-18:1(11Z)),IPQVMJPVAWGSJA-AFQYYBNPSA-N
HMDB08294,799.645490751,C46H90NO7P,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h21,23,38,41,45H,6-20,22,24-37,39-40,42-44H2,1-5H3/b23-21-,41-38-",AUALMVXSBBFVSO,MOVUKYBSSA,N,PC(20:0/P-18:1(9Z)),AUALMVXSBBFVSO-MOVUKYBSSA-N
HMDB08295,759.577805117,C42H82NO8P,CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h19-20,40H,6-18,21-39H2,1-5H3/b20-19-/t40-/m1/s1",WSBNPWBHAOQZJF,OIJJMQLXSA,N,PC(20:1(11Z)/14:0),WSBNPWBHAOQZJF-OIJJMQLXSA-N
HMDB08296,757.562155053,C42H80NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13,15,19-20,40H,6-12,14,16-18,21-39H2,1-5H3/b15-13-,20-19-/t40-/m1/s1",FMLFVZOURBVUJL,LYJZGNKWSA,N,PC(20:1(11Z)/14:1(9Z)),FMLFVZOURBVUJL-LYJZGNKWSA-N
HMDB08297,773.593455181,C43H84NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C43H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h20-21,41H,6-19,22-40H2,1-5H3/b21-20-/t41-/m1/s1",VATZLDBYQIOABD,HFWGUVFESA,N,PC(20:1(11Z)/15:0),VATZLDBYQIOABD-HFWGUVFESA-N
HMDB08298,787.609105245,C44H86NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h20-21,42H,6-19,22-41H2,1-5H3/b21-20-/t42-/m1/s1",RLIWKVWRUOJIHW,NYJULOOZSA,N,PC(20:1(11Z)/16:0),RLIWKVWRUOJIHW-NYJULOOZSA-N
HMDB08299,785.593455181,C44H84NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h17,19-21,42H,6-16,18,22-41H2,1-5H3/b19-17-,21-20-/t42-/m1/s1",NZMJAZKGUFCMTN,NPCYKUJHSA,N,PC(20:1(11Z)/16:1(9Z)),NZMJAZKGUFCMTN-NPCYKUJHSA-N
HMDB08300,815.640405373,C46H90NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h20,22,44H,6-19,21,23-43H2,1-5H3/b22-20-/t44-/m1/s1",YJEDSWZVBUZFIM,UQBBPPAYSA,N,PC(20:1(11Z)/18:0),YJEDSWZVBUZFIM-UQBBPPAYSA-N
HMDB08301,813.624755309,C46H88NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h17,19-20,22,44H,6-16,18,21,23-43H2,1-5H3/b19-17-,22-20-/t44-/m1/s1",REDZPICSZQVKFH,FKBBVPNWSA,N,PC(20:1(11Z)/18:1(11Z)),REDZPICSZQVKFH-FKBBVPNWSA-N
HMDB08302,813.624755309,C46H88NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h20-22,24,44H,6-19,23,25-43H2,1-5H3/b22-20-,24-21-/t44-/m1/s1",QLEJPADMSQQACL,WWUFLCHTSA,N,PC(20:1(11Z)/18:1(9Z)),QLEJPADMSQQACL-WWUFLCHTSA-N
HMDB08303,811.609105245,C46H86NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24,44H,6-14,16,18-19,23,25-43H2,1-5H3/b17-15-,22-20-,24-21-/t44-/m1/s1",KJDCENXZHMAYTN,VHWCKNCUSA,N,"PC(20:1(11Z)/18:2(9Z,12Z))",KJDCENXZHMAYTN-VHWCKNCUSA-N
HMDB08304,809.593455181,C46H84NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24,29,31,44H,6-14,16,18-19,23,25-28,30,32-43H2,1-5H3/b17-15-,22-20-,24-21-,31-29-/t44-/m1/s1",FHOBLZOUZRDCHR,VSYNYFESSA,N,"PC(20:1(11Z)/18:3(6Z,9Z,12Z))",FHOBLZOUZRDCHR-VSYNYFESSA-N
HMDB08305,809.593455181,C46H84NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24,44H,6-8,10,12-14,16,18-19,23,25-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-/t44-/m1/s1",NOWQIXJSMOBJLS,LMJTUUMUSA,N,"PC(20:1(11Z)/18:3(9Z,12Z,15Z))",NOWQIXJSMOBJLS-LMJTUUMUSA-N
HMDB08306,807.577805117,C46H82NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24,29,31,44H,6-8,10,12-14,16,18-19,23,25-28,30,32-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-,31-29-/t44-/m1/s1",YDPVXGLBOPTMBY,SNMLGIRPSA,N,"PC(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",YDPVXGLBOPTMBY-SNMLGIRPSA-N
HMDB08307,843.671705501,C48H94NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,46H,6-19,21,23-45H2,1-5H3/b22-20-/t46-/m1/s1",HENMLPWKVBGCLG,USIWBXHFSA,N,PC(20:1(11Z)/20:0),HENMLPWKVBGCLG-USIWBXHFSA-N
HMDB08308,841.656055437,C48H92NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,46H,6-19,24-45H2,1-5H3/b22-20-,23-21-/t46-/m1/s1",AEUCYCQYAUFAKH,DITNKEBASA,N,PC(20:1(11Z)/20:1(11Z)),AEUCYCQYAUFAKH-DITNKEBASA-N
HMDB08309,839.640405373,C48H90NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,46H,6-14,16,18-19,24-45H2,1-5H3/b17-15-,22-20-,23-21-/t46-/m1/s1",ZGKPOUQXLZVCDF,GPPISGLTSA,N,"PC(20:1(11Z)/20:2(11Z,14Z))",ZGKPOUQXLZVCDF-GPPISGLTSA-N
HMDB08310,837.624755309,C48H88NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,27,29,33,35,46H,6-19,24-26,28,30-32,34,36-45H2,1-5H3/b22-20-,23-21-,29-27-,35-33-/t46-/m1/s1",HHXYMQKMOOHXMX,RRYCHQORSA,N,"PC(20:1(11Z)/20:3(5Z,8Z,11Z))",HHXYMQKMOOHXMX-RRYCHQORSA-N
HMDB08311,837.624755309,C48H88NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,46H,6-14,16,18-19,24-26,28,30-45H2,1-5H3/b17-15-,22-20-,23-21-,29-27-/t46-/m1/s1",QLESDNGWICTNRJ,ONITYOGDSA,N,"PC(20:1(11Z)/20:3(8Z,11Z,14Z))",QLESDNGWICTNRJ-ONITYOGDSA-N
HMDB08312,835.609105245,C48H86NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,33,35,46H,6-14,16,18-19,24-26,28,30-32,34,36-45H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,35-33-/t46-/m1/s1",LJFKFKIYUJNFPZ,ZLFSCUDPSA,N,"PC(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",LJFKFKIYUJNFPZ-ZLFSCUDPSA-N
HMDB08313,835.609105245,C48H86NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,46H,6-8,10,12-14,16,18-19,24-26,28,30-45H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-/t46-/m1/s1",SFSJJONFWFZOGW,UBCJTPMWSA,N,"PC(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",SFSJJONFWFZOGW-UBCJTPMWSA-N
HMDB08314,833.593455181,C48H84NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,33,35,46H,6-8,10,12-14,16,18-19,24-26,28,30-32,34,36-45H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-,35-33-/t46-/m1/s1",PQDQSVDTILKDMN,DBQSUDOFSA,N,"PC(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PQDQSVDTILKDMN-DBQSUDOFSA-N
HMDB08315,871.703005629,C50H98NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h21,23,48H,6-20,22,24-47H2,1-5H3/b23-21-/t48-/m1/s1",ZOBCQAOOEOICKA,ZPFYZEQDSA,N,PC(20:1(11Z)/22:0),ZOBCQAOOEOICKA-ZPFYZEQDSA-N
HMDB08316,869.687355565,C50H96NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,48H,6-19,24-47H2,1-5H3/b22-20-,23-21-/t48-/m1/s1",MUFCWCXVLIXBJC,PIUCSNMVSA,N,PC(20:1(11Z)/22:1(13Z)),MUFCWCXVLIXBJC-PIUCSNMVSA-N
HMDB08317,867.671705501,C50H94NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,48H,6-13,15,17-19,24-47H2,1-5H3/b16-14-,22-20-,23-21-/t48-/m1/s1",RRKHPCLZTXZIRL,HKLCVFKESA,N,"PC(20:1(11Z)/22:2(13Z,16Z))",RRKHPCLZTXZIRL-HKLCVFKESA-N
HMDB08318,863.640405373,C50H90NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,48H,6-13,15,17-19,24,26,28-30,32,34-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-/t48-/m1/s1",DFPIMXAFTWITSV,CMOKSHSASA,N,"PC(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",DFPIMXAFTWITSV-CMOKSHSASA-N
HMDB08319,861.624755309,C50H88NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,37,39,48H,6-13,15,17-19,24,26,28-30,32,34-36,38,40-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-,39-37-/t48-/m1/s1",VMSZSCNUIIWNKA,SINOTDJUSA,N,"PC(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VMSZSCNUIIWNKA-SINOTDJUSA-N
HMDB08320,861.624755309,C50H88NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,31,33,48H,6-7,9,11-13,15,17-19,24,26,28-30,32,34-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,33-31-/t48-/m1/s1",PMEGQTAPMLGFBO,AICWAUARSA,N,"PC(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PMEGQTAPMLGFBO-AICWAUARSA-N
HMDB08321,859.609105245,C50H86NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,31,33,37,39,48H,6-7,9,11-13,15,17-19,24,26,28-30,32,34-36,38,40-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,33-31-,39-37-/t48-/m1/s1",FYVDGOCCFDKYOR,OEQCKVCZSA,N,"PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FYVDGOCCFDKYOR-OEQCKVCZSA-N
HMDB08322,899.734305757,C52H102NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h21,23,50H,6-20,22,24-49H2,1-5H3/b23-21-/t50-/m1/s1",TWIBYGZCEJVBRL,ZMGYLBOHSA,N,PC(20:1(11Z)/24:0),TWIBYGZCEJVBRL-ZMGYLBOHSA-N
HMDB08323,897.718655693,C52H100NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1",YLXAZUXYVUXDIP,JFSPZUDSSA,N,PC(20:1(11Z)/24:1(15Z)),YLXAZUXYVUXDIP-JFSPZUDSSA-N
HMDB08324,771.614190623,C44H86NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,36,39,43H,6-19,21,23-35,37-38,40-42H2,1-5H3/b22-20-,39-36-",ADZUZWOTJKDMEP,DJRFHFPXSA,N,PC(20:1(11Z)/P-16:0),ADZUZWOTJKDMEP-DJRFHFPXSA-N
HMDB08325,799.645490751,C46H90NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,38,41,45H,6-19,21,23-37,39-40,42-44H2,1-5H3/b22-20-,41-38-",BJZAIVYSIZULEA,NYALRLSRSA,N,PC(20:1(11Z)/P-18:0),BJZAIVYSIZULEA-NYALRLSRSA-N
HMDB08326,797.629840687,C46H88NO7P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,38,41,45H,6-16,18,21,23-37,39-40,42-44H2,1-5H3/b19-17-,22-20-,41-38-",GPIWPHYJALFISW,ROVYERRASA,N,PC(20:1(11Z)/P-18:1(11Z)),GPIWPHYJALFISW-ROVYERRASA-N
HMDB08327,797.629840687,C46H88NO7P,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,38,41,45H,6-19,24-37,39-40,42-44H2,1-5H3/b22-20-,23-21-,41-38-",CRLRRUDVEGPSAN,WRPVVQBASA,N,PC(20:1(11Z)/P-18:1(9Z)),CRLRRUDVEGPSAN-WRPVVQBASA-N
HMDB08328,757.562155053,C42H80NO8P,CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h14,16,19-20,40H,6-13,15,17-18,21-39H2,1-5H3/b16-14-,20-19-/t40-/m1/s1",JFWZYNWHJJSDAY,YBLKGUNISA,N,"PC(20:2(11Z,14Z)/14:0)",JFWZYNWHJJSDAY-YBLKGUNISA-N
HMDB08329,755.546504989,C42H78NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13-16,19-20,40H,6-12,17-18,21-39H2,1-5H3/b15-13-,16-14-,20-19-/t40-/m1/s1",MYWHURBVYAKZKD,FRPVHTQQSA,N,"PC(20:2(11Z,14Z)/14:1(9Z))",MYWHURBVYAKZKD-FRPVHTQQSA-N
HMDB08330,771.577805117,C43H82NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C43H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h14,16,20-21,41H,6-13,15,17-19,22-40H2,1-5H3/b16-14-,21-20-/t41-/m1/s1",LNGBVAOHJZCRIL,GPDPEMMZSA,N,"PC(20:2(11Z,14Z)/15:0)",LNGBVAOHJZCRIL-GPDPEMMZSA-N
HMDB08331,785.593455181,C44H84NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,42H,6-13,15,17-19,22-41H2,1-5H3/b16-14-,21-20-/t42-/m1/s1",JCABAGPMEUGRDK,UXSLIEDSSA,N,"PC(20:2(11Z,14Z)/16:0)",JCABAGPMEUGRDK-UXSLIEDSSA-N
HMDB08332,783.577805117,C44H82NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,42H,6-13,15,18,22-41H2,1-5H3/b16-14-,19-17-,21-20-/t42-/m1/s1",VPDVXUMWNZFISL,ZAEMQJNLSA,N,"PC(20:2(11Z,14Z)/16:1(9Z))",VPDVXUMWNZFISL-ZAEMQJNLSA-N
HMDB08333,813.624755309,C46H88NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,44H,6-13,15,17-19,21,23-43H2,1-5H3/b16-14-,22-20-/t44-/m1/s1",BRSRLMBMUIZSFE,UHKGRJRRSA,N,"PC(20:2(11Z,14Z)/18:0)",BRSRLMBMUIZSFE-UHKGRJRRSA-N
HMDB08334,811.609105245,C46H86NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,44H,6-13,15,18,21,23-43H2,1-5H3/b16-14-,19-17-,22-20-/t44-/m1/s1",KNNHXKQRTYEWCA,HYYWERRFSA,N,"PC(20:2(11Z,14Z)/18:1(11Z))",KNNHXKQRTYEWCA-HYYWERRFSA-N
HMDB08335,811.609105245,C46H86NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24,44H,6-13,15,17-19,23,25-43H2,1-5H3/b16-14-,22-20-,24-21-/t44-/m1/s1",YULWBFNKMAKVNZ,UETRTARBSA,N,"PC(20:2(11Z,14Z)/18:1(9Z))",YULWBFNKMAKVNZ-UETRTARBSA-N
HMDB08336,809.593455181,C46H84NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24,44H,6-13,18-19,23,25-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-/t44-/m1/s1",ZPAYLLVKQCNXOK,JEHIXBSSSA,N,"PC(20:2(11Z,14Z)/18:2(9Z,12Z))",ZPAYLLVKQCNXOK-JEHIXBSSSA-N
HMDB08337,807.577805117,C46H82NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24,29,31,44H,6-13,18-19,23,25-28,30,32-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,31-29-/t44-/m1/s1",WTLVSDIWQGLEAN,MFMUPFOOSA,N,"PC(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))",WTLVSDIWQGLEAN-MFMUPFOOSA-N
HMDB08338,807.577805117,C46H82NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24,44H,6-8,10,12-13,18-19,23,25-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-/t44-/m1/s1",ZWBUMNLEWHYPRH,HTEBOPLQSA,N,"PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))",ZWBUMNLEWHYPRH-HTEBOPLQSA-N
HMDB08339,805.562155053,C46H80NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24,29,31,44H,6-8,10,12-13,18-19,23,25-28,30,32-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,31-29-/t44-/m1/s1",DMULDNPMYQMFAE,YCAHXJLUSA,N,"PC(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",DMULDNPMYQMFAE-YCAHXJLUSA-N
HMDB08340,841.656055437,C48H92NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,46H,6-13,15,17-19,21,23-45H2,1-5H3/b16-14-,22-20-/t46-/m1/s1",BVDPROLNIRIVET,SZAAGBBJSA,N,"PC(20:2(11Z,14Z)/20:0)",BVDPROLNIRIVET-SZAAGBBJSA-N
HMDB08341,839.640405373,C48H90NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,46H,6-13,15,17-19,24-45H2,1-5H3/b16-14-,22-20-,23-21-/t46-/m1/s1",VSWBEFJQWZEWPT,KWPMQJQMSA,N,"PC(20:2(11Z,14Z)/20:1(11Z))",VSWBEFJQWZEWPT-KWPMQJQMSA-N
HMDB08342,837.624755309,C48H88NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,46H,6-13,18-19,24-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t46-/m1/s1",AAYOXXRTLLISDA,RCXGQNHQSA,N,"PC(20:2(11Z,14Z)/20:2(11Z,14Z))",AAYOXXRTLLISDA-RCXGQNHQSA-N
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HMDB08357,769.598540559,C44H84NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,36,39,43H,6-13,15,17-19,21,23-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,39-36-",KXKCEQLFMBHBOP,FOWUIZIDSA,N,"PC(20:2(11Z,14Z)/P-16:0)",KXKCEQLFMBHBOP-FOWUIZIDSA-N
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HMDB08362,753.530854925,C42H76NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13,15,19-20,22-23,26,28,40H,6-12,14,16-18,21,24-25,27,29-39H2,1-5H3/b15-13-,20-19-,23-22-,28-26-/t40-/m1/s1",ZZMZMKGQPOFBFF,HZYDLNOWSA,N,"PC(20:3(5Z,8Z,11Z)/14:1(9Z))",ZZMZMKGQPOFBFF-HZYDLNOWSA-N
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HMDB08391,795.614190623,C46H86NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,25,27,31,33,38,41,45H,6-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b22-20-,27-25-,33-31-,41-38-",PLWKPRNKSDXLNG,KZWPABEFSA,N,"PC(20:3(5Z,8Z,11Z)/P-18:0)",PLWKPRNKSDXLNG-KZWPABEFSA-N
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HMDB08393,793.598540559,C46H84NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,25,27,31,33,38,41,45H,6-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b22-20-,23-21-,27-25-,33-31-,41-38-",LOIZABDCVPDYRX,KPLHBETISA,N,"PC(20:3(5Z,8Z,11Z)/P-18:1(9Z))",LOIZABDCVPDYRX-KPLHBETISA-N
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HMDB08395,753.530854925,C42H76NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13-16,19-20,22-23,40H,6-12,17-18,21,24-39H2,1-5H3/b15-13-,16-14-,20-19-,23-22-/t40-/m1/s1",UGOXZVQDVQJYIN,PCBJBAEXSA,N,"PC(20:3(8Z,11Z,14Z)/14:1(9Z))",UGOXZVQDVQJYIN-PCBJBAEXSA-N
HMDB08396,769.562155053,C43H80NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C43H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,41H,6-13,15,17-19,22,25-40H2,1-5H3/b16-14-,21-20-,24-23-/t41-/m1/s1",PBYSSMVZTSQJLK,XWIBIVISSA,N,"PC(20:3(8Z,11Z,14Z)/15:0)",PBYSSMVZTSQJLK-XWIBIVISSA-N
HMDB08397,783.577805117,C44H82NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,42H,6-13,15,17-19,22,24,26-41H2,1-5H3/b16-14-,21-20-,25-23-/t42-/m1/s1",YKSVDDIMSQYNID,YYQUKWHJSA,N,"PC(20:3(8Z,11Z,14Z)/16:0)",YKSVDDIMSQYNID-YYQUKWHJSA-N
HMDB08398,781.562155053,C44H80NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,23,25,42H,6-13,15,18,22,24,26-41H2,1-5H3/b16-14-,19-17-,21-20-,25-23-/t42-/m1/s1",SMNBWWUNQGASFC,MLQXCARSSA,N,"PC(20:3(8Z,11Z,14Z)/16:1(9Z))",SMNBWWUNQGASFC-MLQXCARSSA-N
HMDB08399,811.609105245,C46H86NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,44H,6-13,15,17-19,21,23-24,27-43H2,1-5H3/b16-14-,22-20-,26-25-/t44-/m1/s1",UTVPIFAQLMVRBR,DXLHFBPTSA,N,"PC(20:3(8Z,11Z,14Z)/18:0)",UTVPIFAQLMVRBR-DXLHFBPTSA-N
HMDB08400,809.593455181,C46H84NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25-26,44H,6-13,15,18,21,23-24,27-43H2,1-5H3/b16-14-,19-17-,22-20-,26-25-/t44-/m1/s1",QFSNCHKAROIETO,SSTUGHORSA,N,"PC(20:3(8Z,11Z,14Z)/18:1(11Z))",QFSNCHKAROIETO-SSTUGHORSA-N
HMDB08401,809.593455181,C46H84NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,44H,6-13,15,17-19,23,27-43H2,1-5H3/b16-14-,22-20-,24-21-,26-25-/t44-/m1/s1",SLKDYSINLYWLQQ,IGMUWBMCSA,N,"PC(20:3(8Z,11Z,14Z)/18:1(9Z))",SLKDYSINLYWLQQ-IGMUWBMCSA-N
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HMDB08403,805.562155053,C46H80NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29,31,44H,6-13,18-19,23,27-28,30,32-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,26-25-,31-29-/t44-/m1/s1",RIDIYDAFPMEWTP,AFNUAFPGSA,N,"PC(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",RIDIYDAFPMEWTP-AFNUAFPGSA-N
HMDB08404,805.562155053,C46H80NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,44H,6-8,10,12-13,18-19,23,27-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,26-25-/t44-/m1/s1",ONHNZXQSGXKTJD,FKOQMNRQSA,N,"PC(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",ONHNZXQSGXKTJD-FKOQMNRQSA-N
HMDB08405,803.546504989,C46H78NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29,31,44H,6-8,10,12-13,18-19,23,27-28,30,32-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-/t44-/m1/s1",JBDSFHCTIZFJOW,IJZSCEKBSA,N,"PC(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",JBDSFHCTIZFJOW-IJZSCEKBSA-N
HMDB08406,839.640405373,C48H90NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,46H,6-13,15,17-19,21,23-25,27,29-45H2,1-5H3/b16-14-,22-20-,28-26-/t46-/m1/s1",NMVCKDUPYAOXCG,XGEOKNOUSA,N,"PC(20:3(8Z,11Z,14Z)/20:0)",NMVCKDUPYAOXCG-XGEOKNOUSA-N
HMDB08407,835.609105245,C48H86NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26,28,46H,6-13,18-19,24-25,27,29-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-/t46-/m1/s1",ORJYHUZZUPRLIN,UJBKIRDYSA,N,"PC(20:3(8Z,11Z,14Z)/20:2(11Z,14Z))",ORJYHUZZUPRLIN-UJBKIRDYSA-N
HMDB08408,833.593455181,C48H84NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26-29,33,35,46H,6-13,15,17-19,24-25,30-32,34,36-45H2,1-5H3/b16-14-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1",STJMRHKIQNWSPV,HGWYWTLDSA,N,"PC(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",STJMRHKIQNWSPV-HGWYWTLDSA-N
HMDB08409,833.593455181,C48H84NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,46H,6-13,18-19,24-25,30-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t46-/m1/s1",UCQTXWKYRXXLSS,BLDRONNASA,N,"PC(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",UCQTXWKYRXXLSS-BLDRONNASA-N
HMDB08410,831.577805117,C48H82NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,33,35,46H,6-13,18-19,24-25,30-32,34,36-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1",QVHMQRRJSLXEPV,IKGSXGQDSA,N,"PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",QVHMQRRJSLXEPV-IKGSXGQDSA-N
HMDB08411,831.577805117,C48H82NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,46H,6-8,10,12-13,18-19,24-25,30-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t46-/m1/s1",HSNIOYVXNMCZEB,CEFNKSEFSA,N,"PC(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",HSNIOYVXNMCZEB-CEFNKSEFSA-N
HMDB08412,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,33,35,46H,6-8,10,12-13,18-19,24-25,30-32,34,36-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1",HPXVUIIWTAPGLC,IBSYIIJISA,N,"PC(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HPXVUIIWTAPGLC-IBSYIIJISA-N
HMDB08413,867.671705501,C50H94NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,48H,6-14,16,18-20,22,24-27,29,31-47H2,1-5H3/b17-15-,23-21-,30-28-/t48-/m1/s1",UXPWZDOZHQMMKJ,XJWJHLQASA,N,"PC(20:3(8Z,11Z,14Z)/22:0)",UXPWZDOZHQMMKJ-XJWJHLQASA-N
HMDB08414,865.656055437,C50H92NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,48H,6-14,16,18-19,24-27,29,31-47H2,1-5H3/b17-15-,22-20-,23-21-,30-28-/t48-/m1/s1",HILDKBKUEBHUIK,LEGLZOIHSA,N,"PC(20:3(8Z,11Z,14Z)/22:1(13Z))",HILDKBKUEBHUIK-LEGLZOIHSA-N
HMDB08415,863.640405373,C50H90NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,28,30,48H,6-13,18-19,24-27,29,31-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,30-28-/t48-/m1/s1",UPPLKKOOULIOMN,KTBPUXGBSA,N,"PC(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))",UPPLKKOOULIOMN-KTBPUXGBSA-N
HMDB08416,859.609105245,C50H86NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27-28,30-31,33,48H,6-13,18-19,24,26,29,32,34-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-/t48-/m1/s1",XPPGOSZKAKPHDY,MYPDBIRBSA,N,"PC(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",XPPGOSZKAKPHDY-MYPDBIRBSA-N
HMDB08417,857.593455181,C50H84NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27-28,30-31,33,37,39,48H,6-13,18-19,24,26,29,32,34-36,38,40-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,39-37-/t48-/m1/s1",DCDPIPYHRHXSBN,CIQBLZRBSA,N,"PC(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DCDPIPYHRHXSBN-CIQBLZRBSA-N
HMDB08418,857.593455181,C50H84NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33,48H,6-7,9,11-13,18-19,24,26,29,32,34-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-/t48-/m1/s1",XRKOURBHCPRURX,OSDDFXMNSA,N,"PC(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XRKOURBHCPRURX-OSDDFXMNSA-N
HMDB08419,855.577805117,C50H82NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33,37,39,48H,6-7,9,11-13,18-19,24,26,29,32,34-36,38,40-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,39-37-/t48-/m1/s1",SYWDYGPSRLFGGR,IOJMYNHSSA,N,"PC(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SYWDYGPSRLFGGR-IOJMYNHSSA-N
HMDB08420,895.703005629,C52H98NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,30,32,50H,6-14,16,18-20,22,24-29,31,33-49H2,1-5H3/b17-15-,23-21-,32-30-/t50-/m1/s1",XPSKEDBXSRCNCF,WHWPMLMJSA,N,"PC(20:3(8Z,11Z,14Z)/24:0)",XPSKEDBXSRCNCF-WHWPMLMJSA-N
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HMDB08422,767.582890495,C44H82NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,36,39,43H,6-13,15,17-19,21,23,26-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,39-36-",YNEOKOLTTKSNFT,NXTBAPBJSA,N,"PC(20:3(8Z,11Z,14Z)/P-16:0)",YNEOKOLTTKSNFT-NXTBAPBJSA-N
HMDB08423,795.614190623,C46H86NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,38,41,45H,6-13,15,17-19,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,27-25-,41-38-",IMISCMOUPRVKCY,JCOVWSEZSA,N,"PC(20:3(8Z,11Z,14Z)/P-18:0)",IMISCMOUPRVKCY-JCOVWSEZSA-N
HMDB08424,793.598540559,C46H84NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,38,41,45H,6-13,15,18,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,19-17-,22-20-,27-25-,41-38-",CCNAQOMJOZUUNX,HPXLHRQISA,N,"PC(20:3(8Z,11Z,14Z)/P-18:1(11Z))",CCNAQOMJOZUUNX-HPXLHRQISA-N
HMDB08425,793.598540559,C46H84NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,38,41,45H,6-13,15,17-19,24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,41-38-",LBPLYVPCWJRTGP,YLKVZILBSA,N,"PC(20:3(8Z,11Z,14Z)/P-18:1(9Z))",LBPLYVPCWJRTGP-YLKVZILBSA-N
HMDB08426,753.530854925,C42H76NO8P,CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h14,16,19-20,22-23,26,28,40H,6-13,15,17-18,21,24-25,27,29-39H2,1-5H3/b16-14-,20-19-,23-22-,28-26-/t40-/m1/s1",KMZWZYBLPBQHMP,PVHGPNMRSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/14:0)",KMZWZYBLPBQHMP-PVHGPNMRSA-N
HMDB08427,751.515204861,C42H74NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13-16,19-20,22-23,26,28,40H,6-12,17-18,21,24-25,27,29-39H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,28-26-/t40-/m1/s1",BMEBSYWMLXABAW,MRYWNOOGSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))",BMEBSYWMLXABAW-MRYWNOOGSA-N
HMDB08428,767.546504989,C43H78NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C43H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,27,29,41H,6-13,15,17-19,22,25-26,28,30-40H2,1-5H3/b16-14-,21-20-,24-23-,29-27-/t41-/m1/s1",DCYLYWXGIOPMPD,JPHHGWJMSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/15:0)",DCYLYWXGIOPMPD-JPHHGWJMSA-N
HMDB08429,781.562155053,C44H80NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,28,30,42H,6-13,15,17-19,22,24,26-27,29,31-41H2,1-5H3/b16-14-,21-20-,25-23-,30-28-/t42-/m1/s1",PUDHBQQGURLBGJ,IVFHWKNFSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/16:0)",PUDHBQQGURLBGJ-IVFHWKNFSA-N
HMDB08430,779.546504989,C44H78NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,23,25,28,30,42H,6-13,15,18,22,24,26-27,29,31-41H2,1-5H3/b16-14-,19-17-,21-20-,25-23-,30-28-/t42-/m1/s1",KKRYRHYMXROGPM,SOVKMKKSSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",KKRYRHYMXROGPM-SOVKMKKSSA-N
HMDB08431,809.593455181,C46H84NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,30,32,44H,6-13,15,17-19,21,23-24,27-29,31,33-43H2,1-5H3/b16-14-,22-20-,26-25-,32-30-/t44-/m1/s1",DNYKSJQVBCVGOF,LCKGXUDJSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/18:0)",DNYKSJQVBCVGOF-LCKGXUDJSA-N
HMDB08432,807.577805117,C46H82NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25-26,30,32,44H,6-13,15,18,21,23-24,27-29,31,33-43H2,1-5H3/b16-14-,19-17-,22-20-,26-25-,32-30-/t44-/m1/s1",YLWBKBDNHWQEFU,YJXJLLHLSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",YLWBKBDNHWQEFU-YJXJLLHLSA-N
HMDB08433,807.577805117,C46H82NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,30,32,44H,6-13,15,17-19,23,27-29,31,33-43H2,1-5H3/b16-14-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1",PJAVLQZDHFXHPI,IHBLHBMHSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",PJAVLQZDHFXHPI-IHBLHBMHSA-N
HMDB08434,805.562155053,C46H80NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,30,32,44H,6-13,18-19,23,27-29,31,33-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1",PLZBTDKJYHXIEW,DZUXOTHRSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",PLZBTDKJYHXIEW-DZUXOTHRSA-N
HMDB08435,803.546504989,C46H78NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29-32,44H,6-13,18-19,23,27-28,33-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1",KNNYOEIGYCQIJO,MFOCWYKOSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",KNNYOEIGYCQIJO-MFOCWYKOSA-N
HMDB08436,803.546504989,C46H78NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,30,32,44H,6-8,10,12-13,18-19,23,27-29,31,33-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1",XDLWXFJWIDMGBA,APWHKNCPSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",XDLWXFJWIDMGBA-APWHKNCPSA-N
HMDB08437,801.530854925,C46H76NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29-32,44H,6-8,10,12-13,18-19,23,27-28,33-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1",OLLIOFHCMFMYTM,QXVOBHCLSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",OLLIOFHCMFMYTM-QXVOBHCLSA-N
HMDB08438,837.624755309,C48H88NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,46H,6-13,15,17-19,21,23-25,27,29-31,33,35-45H2,1-5H3/b16-14-,22-20-,28-26-,34-32-/t46-/m1/s1",DXCCGBCVYMELBT,NDJZOZGISA,N,"PC(20:4(5Z,8Z,11Z,14Z)/20:0)",DXCCGBCVYMELBT-NDJZOZGISA-N
HMDB08439,835.609105245,C48H86NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,32,34,46H,6-13,15,17-19,24-25,27,29-31,33,35-45H2,1-5H3/b16-14-,22-20-,23-21-,28-26-,34-32-/t46-/m1/s1",FFPFWVHSVNGQKW,RZYMAAGLSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",FFPFWVHSVNGQKW-RZYMAAGLSA-N
HMDB08440,833.593455181,C48H84NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26,28,32,34,46H,6-13,18-19,24-25,27,29-31,33,35-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,34-32-/t46-/m1/s1",RSXNDJUFSFNIRE,NYCYDASOSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))",RSXNDJUFSFNIRE-NYCYDASOSA-N
HMDB08441,831.577805117,C48H82NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26-29,32-35,46H,6-13,15,17-19,24-25,30-31,36-45H2,1-5H3/b16-14-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1",YBSQVGJFQIYHBT,PQNXOEOTSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",YBSQVGJFQIYHBT-PQNXOEOTSA-N
HMDB08442,831.577805117,C48H82NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32,34,46H,6-13,18-19,24-25,30-31,33,35-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1",GBBDHTAZWKPUEJ,QHAHKUQMSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",GBBDHTAZWKPUEJ-QHAHKUQMSA-N
HMDB08443,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32-35,46H,6-13,18-19,24-25,30-31,36-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1",LZLVZIFMYXDKCN,QJWFYWCHSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",LZLVZIFMYXDKCN-QJWFYWCHSA-N
HMDB08444,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32,34,46H,6-8,10,12-13,18-19,24-25,30-31,33,35-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1",LFGIFMIQLQXSGT,ZECZWZEJSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",LFGIFMIQLQXSGT-ZECZWZEJSA-N
HMDB08445,827.546504989,C48H78NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32-35,46H,6-8,10,12-13,18-19,24-25,30-31,36-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1",KKASQLHJLDPKHK,MUKBVWGOSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KKASQLHJLDPKHK-MUKBVWGOSA-N
HMDB08446,865.656055437,C50H92NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,34,36,48H,6-14,16,18-20,22,24-27,29,31-33,35,37-47H2,1-5H3/b17-15-,23-21-,30-28-,36-34-/t48-/m1/s1",CVECNRQDBOYLEX,YUDFJFIPSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/22:0)",CVECNRQDBOYLEX-YUDFJFIPSA-N
HMDB08447,863.640405373,C50H90NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,34,36,48H,6-14,16,18-19,24-27,29,31-33,35,37-47H2,1-5H3/b17-15-,22-20-,23-21-,30-28-,36-34-/t48-/m1/s1",OEVPFOYLDULCHG,YEJSVZEHSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",OEVPFOYLDULCHG-YEJSVZEHSA-N
HMDB08448,861.624755309,C50H88NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,28,30,34,36,48H,6-13,18-19,24-27,29,31-33,35,37-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,30-28-,36-34-/t48-/m1/s1",BVNCECIWLNSIHB,NYVXWPRKSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",BVNCECIWLNSIHB-NYVXWPRKSA-N
HMDB08449,857.593455181,C50H84NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27-28,30-31,33-34,36,48H,6-13,18-19,24,26,29,32,35,37-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1",GTEBLBKIXKYDBM,MQPHTZFKSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",GTEBLBKIXKYDBM-MQPHTZFKSA-N
HMDB08450,855.577805117,C50H82NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1",XWLLJQQNSJHASH,ITHLTLCDSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XWLLJQQNSJHASH-ITHLTLCDSA-N
HMDB08451,855.577805117,C50H82NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33-34,36,48H,6-7,9,11-13,18-19,24,26,29,32,35,37-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1",KTDIQEHBQAZITM,VKQJJNQHSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KTDIQEHBQAZITM-VKQJJNQHSA-N
HMDB08452,853.562155053,C50H80NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,9,11-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1",APEHGLQXFOZAEF,MHNOHXJZSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",APEHGLQXFOZAEF-MHNOHXJZSA-N
HMDB08453,893.687355565,C52H96NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,30,32,36,38,50H,6-14,16,18-20,22,24-29,31,33-35,37,39-49H2,1-5H3/b17-15-,23-21-,32-30-,38-36-",MFVZIUSLYXNKPN,UPSKNFKDSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/24:0)",MFVZIUSLYXNKPN-UPSKNFKDSA-N
HMDB08454,891.671705501,C52H94NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,30,32,36,38,50H,6-14,16,18-19,24-29,31,33-35,37,39-49H2,1-5H3/b17-15-,22-20-,23-21-,32-30-,38-36-/t50-/m1/s1",HWUOYGJVCNBUAF,HPLXTJTDSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",HWUOYGJVCNBUAF-HPLXTJTDSA-N
HMDB08455,765.567240431,C44H80NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,36,39,43H,6-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,39-36-",QXWMNDJZPMHJJC,ZBYLXILXSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/P-16:0)",QXWMNDJZPMHJJC-ZBYLXILXSA-N
HMDB08456,793.598540559,C46H84NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,38,41,45H,6-13,15,17-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,27-25-,33-31-,41-38-",HMEHDJIXXQDEJH,NRSCKOKFSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/P-18:0)",HMEHDJIXXQDEJH-NRSCKOKFSA-N
HMDB08457,791.582890495,C46H82NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,31,33,38,41,45H,6-13,15,18,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,19-17-,22-20-,27-25-,33-31-,41-38-",BKCKPUXEOILIKW,YNZCAZTGSA,N,"PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))",BKCKPUXEOILIKW-YNZCAZTGSA-N
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HMDB08473,833.593455181,C48H84NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26,28,46H,6-7,9,11-13,18-19,24-25,27,29-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-/t46-/m1/s1",ZKUNPSXZRWGSCW,FLRYMGIISA,N,"PC(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))",ZKUNPSXZRWGSCW-FLRYMGIISA-N
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HMDB08499,805.562155053,C46H80NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,30,32,44H,6-7,9,11-13,15,17-19,23,27-29,31,33-43H2,1-5H3/b10-8-,16-14-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1",JZKMYCPNBSRARO,YMBRLFDISA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",JZKMYCPNBSRARO-YMBRLFDISA-N
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HMDB08503,799.515204861,C46H74NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H74NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29-32,44H,6-7,12-13,18-19,23,27-28,33-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1",DIKPCCMAVMXMTL,IRBHRUNSSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",DIKPCCMAVMXMTL-IRBHRUNSSA-N
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HMDB08505,833.593455181,C48H84NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26,28,32,34,46H,6-7,9,11-13,15,17-19,24-25,27,29-31,33,35-45H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,34-32-/t46-/m1/s1",OHMVGNUFBRUROI,JNOZGJMASA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",OHMVGNUFBRUROI-JNOZGJMASA-N
HMDB08506,831.577805117,C48H82NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26,28,32,34,46H,6-7,9,11-13,18-19,24-25,27,29-31,33,35-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,34-32-/t46-/m1/s1",BHWGKAVGUMMQIW,UVZRHDGTSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))",BHWGKAVGUMMQIW-UVZRHDGTSA-N
HMDB08507,829.562155053,C48H80NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26-29,32-35,46H,6-7,9,11-13,15,17-19,24-25,30-31,36-45H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1",SIMZOWLEIOYZJX,VRCXRDLJSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",SIMZOWLEIOYZJX-VRCXRDLJSA-N
HMDB08508,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32,34,46H,6-7,9,11-13,18-19,24-25,30-31,33,35-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1",ZTTUIIXLLZBRIU,NYAFXSFWSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))",ZTTUIIXLLZBRIU-NYAFXSFWSA-N
HMDB08509,827.546504989,C48H78NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32-35,46H,6-7,9,11-13,18-19,24-25,30-31,36-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1",JYWXVFXGOBTFQZ,RHOQSXGDSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",JYWXVFXGOBTFQZ-RHOQSXGDSA-N
HMDB08510,827.546504989,C48H78NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32,34,46H,6-7,12-13,18-19,24-25,30-31,33,35-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1",IZLVDNQKJADVHL,XIRCADDZSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",IZLVDNQKJADVHL-XIRCADDZSA-N
HMDB08511,825.530854925,C48H76NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,46H,6-7,12-13,18-19,24-25,30-31,36-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1",WAIHGVAZVKEQGR,YWTDJUEZSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WAIHGVAZVKEQGR-YWTDJUEZSA-N
HMDB08512,863.640405373,C50H90NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,30,34,36,48H,6-8,10,12-14,16,18-20,22,24-27,29,31-33,35,37-47H2,1-5H3/b11-9-,17-15-,23-21-,30-28-,36-34-/t48-/m1/s1",ZOAQJTIRBLFGSD,WWBXXLDESA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)",ZOAQJTIRBLFGSD-WWBXXLDESA-N
HMDB08513,861.624755309,C50H88NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,28,30,34,36,48H,6-8,10,12-14,16,18-19,24-27,29,31-33,35,37-47H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,30-28-,36-34-/t48-/m1/s1",WAHVJMOUGUEABY,WEBHOWTESA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",WAHVJMOUGUEABY-WEBHOWTESA-N
HMDB08514,859.609105245,C50H86NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,28,30,34,36,48H,6-8,10,12-13,18-19,24-27,29,31-33,35,37-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,30-28-,36-34-/t48-/m1/s1",UPDLWHQXAJEFMC,HHTKNTAVSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",UPDLWHQXAJEFMC-HHTKNTAVSA-N
HMDB08515,855.577805117,C50H82NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27-28,30-31,33-34,36,48H,6-8,10,12-13,18-19,24,26,29,32,35,37-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1",QXFLCSRGTJSRSB,FHXFQLHXSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",QXFLCSRGTJSRSB-FHXFQLHXSA-N
HMDB08516,853.562155053,C50H80NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-8,10,12-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1",GILJCAGAMFVHNE,QEOOLSSISA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GILJCAGAMFVHNE-QEOOLSSISA-N
HMDB08517,853.562155053,C50H80NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27-28,30-31,33-34,36,48H,6-7,12-13,18-19,24,26,29,32,35,37-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1",KJZGPYYLCQSOIZ,IHSLHUTLSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KJZGPYYLCQSOIZ-IHSLHUTLSA-N
HMDB08518,851.546504989,C50H78NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,12-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1",PRAHGYJIPXTSPA,OWXGTRINSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PRAHGYJIPXTSPA-OWXGTRINSA-N
HMDB08519,891.671705501,C52H94NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,30,32,36,38,50H,6-8,10,12-14,16,18-20,22,24-29,31,33-35,37,39-49H2,1-5H3/b11-9-,17-15-,23-21-,32-30-,38-36-/t50-/m1/s1",GBFFTGGMKNBBJH,CNIZVWBJSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/24:0)",GBFFTGGMKNBBJH-CNIZVWBJSA-N
HMDB08520,889.656055437,C52H92NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,30,32,36,38,50H,6-8,10,12-14,16,18-19,24-29,31,33-35,37,39-49H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,32-30-,38-36-/t50-/m1/s1",JNSNGAGZRAXQPY,WBSLUPPMSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",JNSNGAGZRAXQPY-WBSLUPPMSA-N
HMDB08521,763.551590367,C44H78NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,36,39,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,39-36-",RPGDUWQZQBHLNS,XRTCNQNWSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-16:0)",RPGDUWQZQBHLNS-XRTCNQNWSA-N
HMDB08522,791.582890495,C46H82NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,38,41,45H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-,41-38-",IWGDDCKYIXMJOA,RJFYQFCBSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:0)",IWGDDCKYIXMJOA-RJFYQFCBSA-N
HMDB08523,789.567240431,C46H80NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25,27,31,33,38,41,45H,6-7,9,11-13,15,18,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,27-25-,33-31-,41-38-",WDNOQSUMHJTAOV,RAUWIWGKSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z))",WDNOQSUMHJTAOV-RAUWIWGKSA-N
HMDB08524,789.567240431,C46H80NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,31,33,38,41,45H,6-7,9,11-13,15,17-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,33-31-,41-38-",USPBFZFHJPVLST,HALYXBRLSA,N,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z))",USPBFZFHJPVLST-HALYXBRLSA-N
HMDB08525,789.624755309,C44H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1",JFNNIQMJYCUZKY,HUESYALOSA,N,PC(22:0/14:0),JFNNIQMJYCUZKY-HUESYALOSA-N
HMDB08526,787.609105245,C44H86NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h13,15,42H,6-12,14,16-41H2,1-5H3/b15-13-/t42-/m1/s1",RGHFEAMZDBFLPO,FASREOMLSA,N,PC(22:0/14:1(9Z)),RGHFEAMZDBFLPO-FASREOMLSA-N
HMDB08527,803.640405373,C45H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C45H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1",AAQYYLOZSPSSEX,VZUYHUTRSA,N,PC(22:0/15:0),AAQYYLOZSPSSEX-VZUYHUTRSA-N
HMDB08528,817.656055437,C46H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1",OPUHJIZEYAXETG,USYZEHPZSA,N,PC(22:0/16:0),OPUHJIZEYAXETG-USYZEHPZSA-N
HMDB08529,815.640405373,C46H90NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h17,19,44H,6-16,18,20-43H2,1-5H3/b19-17-/t44-/m1/s1",FOYSSFIXMSIYBS,VPMPJQFESA,N,PC(22:0/16:1(9Z)),FOYSSFIXMSIYBS-VPMPJQFESA-N
HMDB08530,845.687355565,C48H96NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/t46-/m1/s1",XOEFPTAEGQLDQS,YACUFSJGSA,N,PC(22:0/18:0),XOEFPTAEGQLDQS-YACUFSJGSA-N
HMDB08531,843.671705501,C48H94NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h17,19,46H,6-16,18,20-45H2,1-5H3/b19-17-/t46-/m1/s1",ZXUGYTRXWUMLQE,VGURBHAXSA,N,PC(22:0/18:1(11Z)),ZXUGYTRXWUMLQE-VGURBHAXSA-N
HMDB08532,843.671705501,C48H94NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h21,26,46H,6-20,22-25,27-45H2,1-5H3/b26-21-/t46-/m1/s1",AWZDTGDSDIBXAE,MLLRONJJSA,N,PC(22:0/18:1(9Z)),AWZDTGDSDIBXAE-MLLRONJJSA-N
HMDB08533,841.656055437,C48H92NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h15,17,21,26,46H,6-14,16,18-20,22-25,27-45H2,1-5H3/b17-15-,26-21-/t46-/m1/s1",LDQMGTRKTWSKIW,QGXZLJJESA,N,"PC(22:0/18:2(9Z,12Z))",LDQMGTRKTWSKIW-QGXZLJJESA-N
HMDB08534,839.640405373,C48H90NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h15,17,21,26,31,33,46H,6-14,16,18-20,22-25,27-30,32,34-45H2,1-5H3/b17-15-,26-21-,33-31-/t46-/m1/s1",OFWRYSQDJOQSHU,FARFQYTLSA,N,"PC(22:0/18:3(6Z,9Z,12Z))",OFWRYSQDJOQSHU-FARFQYTLSA-N
HMDB08535,839.640405373,C48H90NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,46H,6-8,10,12-14,16,18-20,22-25,27-45H2,1-5H3/b11-9-,17-15-,26-21-/t46-/m1/s1",JYFWSVLYQSTYHE,NOAWTOFZSA,N,"PC(22:0/18:3(9Z,12Z,15Z))",JYFWSVLYQSTYHE-NOAWTOFZSA-N
HMDB08536,837.624755309,C48H88NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,31,33,46H,6-8,10,12-14,16,18-20,22-25,27-30,32,34-45H2,1-5H3/b11-9-,17-15-,26-21-,33-31-/t46-/m1/s1",LFDYHYAWJHIDTQ,GFEYAWDCSA,N,"PC(22:0/18:4(6Z,9Z,12Z,15Z))",LFDYHYAWJHIDTQ-GFEYAWDCSA-N
HMDB08537,873.718655693,C50H100NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1",BBKWJNNMTSKJKD,QSCHNALKSA,N,PC(22:0/20:0),BBKWJNNMTSKJKD-QSCHNALKSA-N
HMDB08538,871.703005629,C50H98NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h21,23,48H,6-20,22,24-47H2,1-5H3/b23-21-/t48-/m1/s1",JTSFTWZTLBUFSL,ZPFYZEQDSA,N,PC(22:0/20:1(11Z)),JTSFTWZTLBUFSL-ZPFYZEQDSA-N
HMDB08539,869.687355565,C50H96NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,48H,6-14,16,18-20,22,24-47H2,1-5H3/b17-15-,23-21-/t48-/m1/s1",LFYYYSNBZJRBSA,HHITYQTISA,N,"PC(22:0/20:2(11Z,14Z))",LFYYYSNBZJRBSA-HHITYQTISA-N
HMDB08540,867.671705501,C50H94NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h21,23,29,31,35,37,48H,6-20,22,24-28,30,32-34,36,38-47H2,1-5H3/b23-21-,31-29-,37-35-/t48-/m1/s1",RHDGULCQUGNWNU,MMGIRBNKSA,N,"PC(22:0/20:3(5Z,8Z,11Z))",RHDGULCQUGNWNU-MMGIRBNKSA-N
HMDB08541,867.671705501,C50H94NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,29,31,48H,6-14,16,18-20,22,24-28,30,32-47H2,1-5H3/b17-15-,23-21-,31-29-/t48-/m1/s1",CAHVTALBVQRUQD,QSSZNQGRSA,N,"PC(22:0/20:3(8Z,11Z,14Z))",CAHVTALBVQRUQD-QSSZNQGRSA-N
HMDB08542,865.656055437,C50H92NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,29,31,35,37,48H,6-14,16,18-20,22,24-28,30,32-34,36,38-47H2,1-5H3/b17-15-,23-21-,31-29-,37-35-/t48-/m1/s1",YMTVBHIALYUAKW,HTJMAYPASA,N,"PC(22:0/20:4(5Z,8Z,11Z,14Z))",YMTVBHIALYUAKW-HTJMAYPASA-N
HMDB08543,865.656055437,C50H92NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,29,31,48H,6-8,10,12-14,16,18-20,22,24-28,30,32-47H2,1-5H3/b11-9-,17-15-,23-21-,31-29-/t48-/m1/s1",BUDCKLMBPWXPIS,BVGFWLPASA,N,"PC(22:0/20:4(8Z,11Z,14Z,17Z))",BUDCKLMBPWXPIS-BVGFWLPASA-N
HMDB08544,863.640405373,C50H90NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,29,31,35,37,48H,6-8,10,12-14,16,18-20,22,24-28,30,32-34,36,38-47H2,1-5H3/b11-9-,17-15-,23-21-,31-29-,37-35-/t48-/m1/s1",OOXNKNWJYSZSBM,WECTVZTJSA,N,"PC(22:0/20:5(5Z,8Z,11Z,14Z,17Z))",OOXNKNWJYSZSBM-WECTVZTJSA-N
HMDB08545,901.749955821,C52H104NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C52H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h50H,6-49H2,1-5H3/t50-/m1/s1",HRTBOPUWPUXROO,VCZQVZGSSA,N,PC(22:0/22:0),HRTBOPUWPUXROO-VCZQVZGSSA-N
HMDB08546,899.734305757,C52H102NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,50H,6-20,22,24-49H2,1-5H3/b23-21-/t50-/m1/s1",LTXUEXPDKWPLQA,ZMGYLBOHSA,N,PC(22:0/22:1(13Z)),LTXUEXPDKWPLQA-ZMGYLBOHSA-N
HMDB08547,897.718655693,C52H100NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,50H,6-14,16,18-20,22,24-49H2,1-5H3/b17-15-,23-21-/t50-/m1/s1",LUZKXNIAMWEMNK,UEGPNLPGSA,N,"PC(22:0/22:2(13Z,16Z))",LUZKXNIAMWEMNK-UEGPNLPGSA-N
HMDB08548,893.687355565,C52H96NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,33,35,50H,6-14,16,18-20,22,24-26,28,30-32,34,36-49H2,1-5H3/b17-15-,23-21-,29-27-,35-33-/t50-/m1/s1",UIAAGLPOUUFIRG,ZUEQPGPOSA,N,"PC(22:0/22:4(7Z,10Z,13Z,16Z))",UIAAGLPOUUFIRG-ZUEQPGPOSA-N
HMDB08549,891.671705501,C52H94NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,33,35,39,41,50H,6-14,16,18-20,22,24-26,28,30-32,34,36-38,40,42-49H2,1-5H3/b17-15-,23-21-,29-27-,35-33-,41-39-/t50-/m1/s1",IEUHATDGNGNWBM,KZWFSTSESA,N,"PC(22:0/22:5(4Z,7Z,10Z,13Z,16Z))",IEUHATDGNGNWBM-KZWFSTSESA-N
HMDB08550,891.671705501,C52H94NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,33,35,50H,6-8,10,12-14,16,18-20,22,24-26,28,30-32,34,36-49H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,35-33-/t50-/m1/s1",ISOZIISAVMVXJH,WBEKMYLESA,N,"PC(22:0/22:5(7Z,10Z,13Z,16Z,19Z))",ISOZIISAVMVXJH-WBEKMYLESA-N
HMDB08551,889.656055437,C52H92NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,33,35,39,41,50H,6-8,10,12-14,16,18-20,22,24-26,28,30-32,34,36-38,40,42-49H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,35-33-,41-39-/t50-/m1/s1",JXDZERIFECEXES,ZGUOUDEJSA,N,"PC(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JXDZERIFECEXES-ZGUOUDEJSA-N
HMDB08552,929.781255949,C54H108NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h52H,6-51H2,1-5H3/t52-/m1/s1",ABHIRZHSFSONTD,OIVUAWODSA,N,PC(22:0/24:0),ABHIRZHSFSONTD-OIVUAWODSA-N
HMDB08553,927.765605885,C54H106NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H106NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h20,22,52H,6-19,21,23-51H2,1-5H3/b22-20-/t52-/m1/s1",YVOMCNAZZLQFGN,BJHYVVJGSA,N,PC(22:0/24:1(15Z)),YVOMCNAZZLQFGN-BJHYVVJGSA-N
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HMDB08555,829.692440943,C48H96NO7P,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h40,43,47H,6-39,41-42,44-46H2,1-5H3/b43-40-",SDWOXAMRJOFVSY,SATDTQGDSA,N,PC(22:0/P-18:0),SDWOXAMRJOFVSY-SATDTQGDSA-N
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HMDB08577,899.734305757,C52H102NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,50H,6-19,21,23-49H2,1-5H3/b22-20-/t50-/m1/s1",HCFOISMDSVXAFL,QNQJCTKXSA,N,PC(22:1(13Z)/22:0),HCFOISMDSVXAFL-QNQJCTKXSA-N
HMDB08578,897.718655693,C52H100NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1",SDEURMLKLAEUAY,JFSPZUDSSA,N,PC(22:1(13Z)/22:1(13Z)),SDEURMLKLAEUAY-JFSPZUDSSA-N
HMDB08579,895.703005629,C52H98NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,50H,6-14,16,18-19,24-49H2,1-5H3/b17-15-,22-20-,23-21-/t50-/m1/s1",PSZSIHHWRNZDLC,OSGOGHEWSA,N,"PC(22:1(13Z)/22:2(13Z,16Z))",PSZSIHHWRNZDLC-OSGOGHEWSA-N
HMDB08580,891.671705501,C52H94NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,33,35,50H,6-14,16,18-19,24-26,28,30-32,34,36-49H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,35-33-/t50-/m1/s1",JGZULQPSNSPLFM,PJFZVEIRSA,N,"PC(22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",JGZULQPSNSPLFM-PJFZVEIRSA-N
HMDB08581,889.656055437,C52H92NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,33,35,39,41,50H,6-14,16,18-19,24-26,28,30-32,34,36-38,40,42-49H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,35-33-,41-39-/t50-/m1/s1",FKEIHZHIVAFDLO,RYPYTVSESA,N,"PC(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FKEIHZHIVAFDLO-RYPYTVSESA-N
HMDB08582,889.656055437,C52H92NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,33,35,50H,6-8,10,12-14,16,18-19,24-26,28,30-32,34,36-49H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-,35-33-/t50-/m1/s1",UXEPYFFCSYJYGF,KMAYVCJQSA,N,"PC(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UXEPYFFCSYJYGF-KMAYVCJQSA-N
HMDB08583,887.640405373,C52H90NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,33,35,39,41,50H,6-8,10,12-14,16,18-19,24-26,28,30-32,34,36-38,40,42-49H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-,35-33-,41-39-/t50-/m1/s1",BMQZUVJDTYLGMN,FENGWBDOSA,N,"PC(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BMQZUVJDTYLGMN-FENGWBDOSA-N
HMDB08584,927.765605885,C54H106NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H106NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h21,23,52H,6-20,22,24-51H2,1-5H3/b23-21-/t52-/m1/s1",QPKAYYBGPNDOJZ,IKEBFYOJSA,N,PC(22:1(13Z)/24:0),QPKAYYBGPNDOJZ-IKEBFYOJSA-N
HMDB08585,925.749955821,C54H104NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h20-23,52H,6-19,24-51H2,1-5H3/b22-20-,23-21-/t52-/m1/s1",VDIRTDRYUOVBQD,KZHJERBTSA,N,PC(22:1(13Z)/24:1(15Z)),VDIRTDRYUOVBQD-KZHJERBTSA-N
HMDB08586,799.645490751,C46H90NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h20,22,38,41,45H,6-19,21,23-37,39-40,42-44H2,1-5H3/b22-20-,41-38-",FYJYHPBDOBPEFG,NYALRLSRSA,N,PC(22:1(13Z)/P-16:0),FYJYHPBDOBPEFG-NYALRLSRSA-N
HMDB08587,827.676790879,C48H94NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20,22,40,43,47H,6-19,21,23-39,41-42,44-46H2,1-5H3/b22-20-,43-40-",WQHDLBOZNGAUKM,QIWTVRBJSA,N,PC(22:1(13Z)/P-18:0),WQHDLBOZNGAUKM-QIWTVRBJSA-N
HMDB08588,825.661140815,C48H92NO7P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,40,43,47H,6-16,18,21,23-39,41-42,44-46H2,1-5H3/b19-17-,22-20-,43-40-",VJMHNWXIJKHKHT,GYTYNKKYSA,N,PC(22:1(13Z)/P-18:1(11Z)),VJMHNWXIJKHKHT-GYTYNKKYSA-N
HMDB08589,825.661140815,C48H92NO7P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20-23,40,43,47H,6-19,24-39,41-42,44-46H2,1-5H3/b22-20-,23-21-,43-40-",JLVZEZTUUWTBQT,FZHXXZEZSA,N,PC(22:1(13Z)/P-18:1(9Z)),JLVZEZTUUWTBQT-FZHXXZEZSA-N
HMDB08590,785.593455181,C44H84NO8P,CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h14,16,19-20,42H,6-13,15,17-18,21-41H2,1-5H3/b16-14-,20-19-/t42-/m1/s1",POKOLAWNECNRHW,JHHJWKSXSA,N,"PC(22:2(13Z,16Z)/14:0)",POKOLAWNECNRHW-JHHJWKSXSA-N
HMDB08591,783.577805117,C44H82NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h13-16,19-20,42H,6-12,17-18,21-41H2,1-5H3/b15-13-,16-14-,20-19-/t42-/m1/s1",AHJIOIOFNHUXKJ,GXAHKNHCSA,N,"PC(22:2(13Z,16Z)/14:1(9Z))",AHJIOIOFNHUXKJ-GXAHKNHCSA-N
HMDB08592,799.609105245,C45H86NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C45H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h14,16,20-21,43H,6-13,15,17-19,22-42H2,1-5H3/b16-14-,21-20-/t43-/m1/s1",WMGFLQCWPMXTHR,NXTJWINRSA,N,"PC(22:2(13Z,16Z)/15:0)",WMGFLQCWPMXTHR-NXTJWINRSA-N
HMDB08593,813.624755309,C46H88NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16,20-21,44H,6-13,15,17-19,22-43H2,1-5H3/b16-14-,21-20-/t44-/m1/s1",GELDYUBWQAQUDT,PCBXQKGDSA,N,"PC(22:2(13Z,16Z)/16:0)",GELDYUBWQAQUDT-PCBXQKGDSA-N
HMDB08594,811.609105245,C46H86NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,44H,6-13,15,18,22-43H2,1-5H3/b16-14-,19-17-,21-20-/t44-/m1/s1",GEAKOUDHDIZJPQ,UTIGHQPQSA,N,"PC(22:2(13Z,16Z)/16:1(9Z))",GEAKOUDHDIZJPQ-UTIGHQPQSA-N
HMDB08595,841.656055437,C48H92NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,46H,6-13,15,17-19,21,23-45H2,1-5H3/b16-14-,22-20-/t46-/m1/s1",LAXKISCJOCARCS,SZAAGBBJSA,N,"PC(22:2(13Z,16Z)/18:0)",LAXKISCJOCARCS-SZAAGBBJSA-N
HMDB08596,839.640405373,C48H90NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,46H,6-13,15,18,21,23-45H2,1-5H3/b16-14-,19-17-,22-20-/t46-/m1/s1",JEEDOLIAMMVOTO,IMLSBYECSA,N,"PC(22:2(13Z,16Z)/18:1(11Z))",JEEDOLIAMMVOTO-IMLSBYECSA-N
HMDB08597,839.640405373,C48H90NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,26,46H,6-13,15,17-19,23-25,27-45H2,1-5H3/b16-14-,22-20-,26-21-/t46-/m1/s1",GQOYHJFWEIXIGI,LJUWQHBFSA,N,"PC(22:2(13Z,16Z)/18:1(9Z))",GQOYHJFWEIXIGI-LJUWQHBFSA-N
HMDB08598,837.624755309,C48H88NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,26,46H,6-13,18-19,23-25,27-45H2,1-5H3/b16-14-,17-15-,22-20-,26-21-/t46-/m1/s1",QQIYXJBHMDYXHH,NMUBDWGHSA,N,"PC(22:2(13Z,16Z)/18:2(9Z,12Z))",QQIYXJBHMDYXHH-NMUBDWGHSA-N
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HMDB08611,895.703005629,C52H98NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,50H,6-13,15,17-19,24-49H2,1-5H3/b16-14-,22-20-,23-21-/t50-/m1/s1",SVTIBAWRCVYWJJ,NOIFZESZSA,N,"PC(22:2(13Z,16Z)/22:1(13Z))",SVTIBAWRCVYWJJ-NOIFZESZSA-N
HMDB08612,893.687355565,C52H96NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,50H,6-13,18-19,24-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t50-/m1/s1",VJSOACABTXELFU,MRCOSCMPSA,N,"PC(22:2(13Z,16Z)/22:2(13Z,16Z))",VJSOACABTXELFU-MRCOSCMPSA-N
HMDB08613,889.656055437,C52H92NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,33,35,50H,6-13,18-19,24-26,28,30-32,34,36-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-,35-33-/t50-/m1/s1",XHYNDSMXBCQTGB,QAZDULRXSA,N,"PC(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",XHYNDSMXBCQTGB-QAZDULRXSA-N
HMDB08614,887.640405373,C52H90NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,33,35,39,41,50H,6-13,18-19,24-26,28,30-32,34,36-38,40,42-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-,35-33-,41-39-/t50-/m1/s1",CKXPZUAMRLIDIV,ZRRFGHORSA,N,"PC(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CKXPZUAMRLIDIV-ZRRFGHORSA-N
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HMDB08617,925.749955821,C54H104NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,52H,6-14,16,18-20,22,24-51H2,1-5H3/b17-15-,23-21-/t52-/m1/s1",UPYIIISLYUFMDM,WIXQEAAPSA,N,"PC(22:2(13Z,16Z)/24:0)",UPYIIISLYUFMDM-WIXQEAAPSA-N
HMDB08618,923.734305757,C54H102NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,52H,6-14,16,18-19,24-51H2,1-5H3/b17-15-,22-20-,23-21-/t52-/m1/s1",SVISKMCNDNFRNK,DWFZIUQNSA,N,"PC(22:2(13Z,16Z)/24:1(15Z))",SVISKMCNDNFRNK-DWFZIUQNSA-N
HMDB08619,797.629840687,C46H88NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,38,41,45H,6-13,15,17-19,21,23-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,41-38-",OSDASXIAONDOLJ,RIFWRQLLSA,N,"PC(22:2(13Z,16Z)/P-16:0)",OSDASXIAONDOLJ-RIFWRQLLSA-N
HMDB08620,825.661140815,C48H92NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,40,43,47H,6-13,15,17-19,21,23-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,43-40-",WTPAHBSLQUJOMF,DJBJHQTKSA,N,"PC(22:2(13Z,16Z)/P-18:0)",WTPAHBSLQUJOMF-DJBJHQTKSA-N
HMDB08621,823.645490751,C48H90NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,40,43,47H,6-13,15,18,21,23-39,41-42,44-46H2,1-5H3/b16-14-,19-17-,22-20-,43-40-",MWEZXEFKBKZJCZ,ARPDTERPSA,N,"PC(22:2(13Z,16Z)/P-18:1(11Z))",MWEZXEFKBKZJCZ-ARPDTERPSA-N
HMDB08622,823.645490751,C48H90NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,40,43,47H,6-13,15,17-19,24-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,43-40-",ZDVKWGVDIXWINA,CLDXNVIQSA,N,"PC(22:2(13Z,16Z)/P-18:1(9Z))",ZDVKWGVDIXWINA-CLDXNVIQSA-N
HMDB08623,781.562155053,C44H80NO8P,CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,42H,6-13,15,17-18,21,24,26,28-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-/t42-/m1/s1",FHBLNLYBVANDFG,CCHOKCMJSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/14:0)",FHBLNLYBVANDFG-CCHOKCMJSA-N
HMDB08624,779.546504989,C44H78NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h13-16,19-20,22-23,25,27,42H,6-12,17-18,21,24,26,28-41H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1",UJZMLLMWTJZZJX,WPNBCRARSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))",UJZMLLMWTJZZJX-WPNBCRARSA-N
HMDB08625,795.577805117,C45H82NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C45H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,26,28,43H,6-13,15,17-19,22,25,27,29-42H2,1-5H3/b16-14-,21-20-,24-23-,28-26-/t43-/m1/s1",LQQPLTOJFHDGGJ,LITGPGMESA,N,"PC(22:4(7Z,10Z,13Z,16Z)/15:0)",LQQPLTOJFHDGGJ-LITGPGMESA-N
HMDB08626,809.593455181,C46H84NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,27-28,44H,6-13,15,17-19,22,25-26,29-43H2,1-5H3/b16-14-,21-20-,24-23-,28-27-/t44-/m1/s1",LKZIWAABXRQNGG,JAYRDFRFSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/16:0)",LKZIWAABXRQNGG-JAYRDFRFSA-N
HMDB08627,807.577805117,C46H82NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,23-24,27-28,44H,6-13,15,18,22,25-26,29-43H2,1-5H3/b16-14-,19-17-,21-20-,24-23-,28-27-/t44-/m1/s1",STHWQCYHQJBDDB,SYONOARRSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))",STHWQCYHQJBDDB-SYONOARRSA-N
HMDB08628,837.624755309,C48H88NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,28,30,46H,6-13,15,17-19,21,23,26-27,29,31-45H2,1-5H3/b16-14-,22-20-,25-24-,30-28-/t46-/m1/s1",YVFBVKJWPMCQQG,NRICRUJBSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/18:0)",YVFBVKJWPMCQQG-NRICRUJBSA-N
HMDB08629,835.609105245,C48H86NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,28,30,46H,6-13,15,18,21,23,26-27,29,31-45H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,30-28-/t46-/m1/s1",JJGXBUHPKPRTOF,DPOPDSRASA,N,"PC(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))",JJGXBUHPKPRTOF-DPOPDSRASA-N
HMDB08630,835.609105245,C48H86NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,28,30,46H,6-13,15,17-19,23,27,29,31-45H2,1-5H3/b16-14-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1",HWRNDLGQJATPMI,IJJPCNHRSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",HWRNDLGQJATPMI-IJJPCNHRSA-N
HMDB08631,833.593455181,C48H84NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,28,30,46H,6-13,18-19,23,27,29,31-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1",MRTXALWCLLOFNU,RFGGSDOISA,N,"PC(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",MRTXALWCLLOFNU-RFGGSDOISA-N
HMDB08632,831.577805117,C48H82NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,28,30-31,33,46H,6-13,18-19,23,27,29,32,34-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1",JYPIFVMQYLUIQH,LLBIIZOHSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",JYPIFVMQYLUIQH-LLBIIZOHSA-N
HMDB08633,831.577805117,C48H82NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,28,30,46H,6-8,10,12-13,18-19,23,27,29,31-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1",RUNLECFAORINGU,DLJCQXFXSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",RUNLECFAORINGU-DLJCQXFXSA-N
HMDB08634,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,28,30-31,33,46H,6-8,10,12-13,18-19,23,27,29,32,34-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1",HRMALTFIOKWNFH,OAOYNTJZSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",HRMALTFIOKWNFH-OAOYNTJZSA-N
HMDB08635,865.656055437,C50H92NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,30,32,48H,6-13,15,17-19,21,23-24,26,28-29,31,33-47H2,1-5H3/b16-14-,22-20-,27-25-,32-30-/t48-/m1/s1",MFAKYYBEUHGJJL,LFRGNPRBSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/20:0)",MFAKYYBEUHGJJL-LFRGNPRBSA-N
HMDB08636,863.640405373,C50H90NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,30,32,48H,6-13,15,17-19,24,26,28-29,31,33-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,32-30-/t48-/m1/s1",OWLGRGMPPSCQNS,IHOYWFMCSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",OWLGRGMPPSCQNS-IHOYWFMCSA-N
HMDB08637,861.624755309,C50H88NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27,30,32,48H,6-13,18-19,24,26,28-29,31,33-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,32-30-/t48-/m1/s1",DSVRMAGYENFTLY,GDDYDVMSSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z))",DSVRMAGYENFTLY-GDDYDVMSSA-N
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HMDB08644,891.671705501,C52H94NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,32,34,50H,6-13,15,17-19,24-25,27,29-31,33,35-49H2,1-5H3/b16-14-,22-20-,23-21-,28-26-,34-32-/t50-/m1/s1",VFMYSQOVWJIJDU,JRRWZJEXSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",VFMYSQOVWJIJDU-JRRWZJEXSA-N
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HMDB08647,883.609105245,C52H86NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32-35,39,41,50H,6-13,18-19,24-25,30-31,36-38,40,42-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,41-39-/t50-/m1/s1",SFSBFLYKKKQXNO,LLQBBXEXSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SFSBFLYKKKQXNO-LLQBBXEXSA-N
HMDB08648,883.609105245,C52H86NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32-35,50H,6-8,10,12-13,18-19,24-25,30-31,36-49H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t50-/m1/s1",BRIHOSPHJZPEKU,HYHLOKOWSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BRIHOSPHJZPEKU-HYHLOKOWSA-N
HMDB08649,881.593455181,C52H84NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32-35,39,41,50H,6-8,10,12-13,18-19,24-25,30-31,36-38,40,42-49H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,41-39-/t50-/m1/s1",YDFZMLWRHJTSBW,LTFZHXBASA,N,"PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YDFZMLWRHJTSBW-LTFZHXBASA-N
HMDB08650,921.718655693,C54H100NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,34,36,52H,6-14,16,18-20,22,24-27,29,31-33,35,37-51H2,1-5H3/b17-15-,23-21-,30-28-,36-34-/t52-/m1/s1",SSOYIZGLVBAOME,BXUYFRJASA,N,"PC(22:4(7Z,10Z,13Z,16Z)/24:0)",SSOYIZGLVBAOME-BXUYFRJASA-N
HMDB08651,919.703005629,C54H98NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,34,36,52H,6-14,16,18-19,24-27,29,31-33,35,37-51H2,1-5H3/b17-15-,22-20-,23-21-,30-28-,36-34-/t52-/m1/s1",RDVPCWQGFINSTH,DOHKHGPWSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",RDVPCWQGFINSTH-DOHKHGPWSA-N
HMDB08652,793.598540559,C46H84NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27,29,38,41,45H,6-13,15,17-19,21,23,26,28,30-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,25-24-,29-27-,41-38-",QSCPZZNEQRYGTB,PZVMGWTJSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/P-16:0)",QSCPZZNEQRYGTB-PZVMGWTJSA-N
HMDB08653,821.629840687,C48H88NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,29,31,40,43,47H,6-13,15,17-19,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,26-25-,31-29-,43-40-",HPVYKCPKEVVBSW,DDSLUFNQSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/P-18:0)",HPVYKCPKEVVBSW-DDSLUFNQSA-N
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HMDB08655,819.614190623,C48H86NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25-26,29,31,40,43,47H,6-13,15,17-19,24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,26-25-,31-29-,43-40-",JZDUVQDJNGETJN,ZHSBWYKVSA,N,"PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))",JZDUVQDJNGETJN-ZHSBWYKVSA-N
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HMDB08657,777.530854925,C44H76NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h13-16,19-20,22-23,25,27,30,32,42H,6-12,17-18,21,24,26,28-29,31,33-41H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,27-25-,32-30-/t42-/m1/s1",XGLZBINKZRQAPD,OTMYLMJASA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))",XGLZBINKZRQAPD-OTMYLMJASA-N
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HMDB08662,833.593455181,C48H84NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,28,30,34,36,46H,6-13,15,18,21,23,26-27,29,31-33,35,37-45H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,30-28-,36-34-/t46-/m1/s1",IDZSNKUFNURDOS,MUNZJYBDSA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",IDZSNKUFNURDOS-MUNZJYBDSA-N
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HMDB08666,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,28,30,34,36,46H,6-8,10,12-13,18-19,23,27,29,31-33,35,37-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1",GMBDNBJQWYLJGW,DKFCTBDHSA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",GMBDNBJQWYLJGW-DKFCTBDHSA-N
HMDB08667,827.546504989,C48H78NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,28,30-31,33-34,36,46H,6-8,10,12-13,18-19,23,27,29,32,35,37-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-,36-34-/t46-/m1/s1",GEDVHGKOQCAASY,HWBHSULVSA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",GEDVHGKOQCAASY-HWBHSULVSA-N
HMDB08668,863.640405373,C50H90NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,30,32,36,38,48H,6-13,15,17-19,21,23-24,26,28-29,31,33-35,37,39-47H2,1-5H3/b16-14-,22-20-,27-25-,32-30-,38-36-/t48-/m1/s1",NFEZPFWTONOGNU,GDHSNESHSA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:0)",NFEZPFWTONOGNU-GDHSNESHSA-N
HMDB08669,861.624755309,C50H88NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,30,32,36,38,48H,6-13,15,17-19,24,26,28-29,31,33-35,37,39-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,32-30-,38-36-/t48-/m1/s1",GSPUWDQBHFMAQP,IVXDRBJVSA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",GSPUWDQBHFMAQP-IVXDRBJVSA-N
HMDB08670,859.609105245,C50H86NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27,30,32,36,38,48H,6-13,18-19,24,26,28-29,31,33-35,37,39-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,32-30-,38-36-/t48-/m1/s1",DPKMAQOWGMOVRJ,PJJCPRGKSA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z))",DPKMAQOWGMOVRJ-PJJCPRGKSA-N
HMDB08671,857.593455181,C50H84NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,29-32,35-38,48H,6-13,15,17-19,24,26,28,33-34,39-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1",ZBJHJQOURKADRH,OBRONVBTSA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",ZBJHJQOURKADRH-OBRONVBTSA-N
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HMDB08683,919.703005629,C54H98NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,34,36,40,42,52H,6-14,16,18-20,22,24-27,29,31-33,35,37-39,41,43-51H2,1-5H3/b17-15-,23-21-,30-28-,36-34-,42-40-/t52-/m1/s1",ZHBLKKDORTYJBR,XGHFNEDPSA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:0)",ZHBLKKDORTYJBR-XGHFNEDPSA-N
HMDB08684,917.687355565,C54H96NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,34,36,40,42,52H,6-14,16,18-19,24-27,29,31-33,35,37-39,41,43-51H2,1-5H3/b17-15-,22-20-,23-21-,30-28-,36-34-,42-40-/t52-/m1/s1",YPSRXBOUINOZKN,BFJWCGADSA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",YPSRXBOUINOZKN-BFJWCGADSA-N
HMDB08685,791.582890495,C46H82NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27,29,33,35,38,41,45H,6-13,15,17-19,21,23,26,28,30-32,34,36-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,25-24-,29-27-,35-33-,41-38-",UXEPKPPWMGCZKG,MYZUPDLISA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0)",UXEPKPPWMGCZKG-MYZUPDLISA-N
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HMDB08687,817.598540559,C48H84NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25-26,29,31,35,37,40,43,47H,6-13,15,18,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,19-17-,22-20-,26-25-,31-29-,37-35-,43-40-",SJJGNKGNESOYIJ,WCGTXFODSA,N,"PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))",SJJGNKGNESOYIJ-WCGTXFODSA-N
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HMDB08690,777.530854925,C44H76NO8P,CCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,25,27,42H,6-7,9,11-12,17-18,21,24,26,28-41H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1",XYZGDARMQJBJAP,WKOATJLPSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",XYZGDARMQJBJAP-WKOATJLPSA-N
HMDB08691,793.562155053,C45H80NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C45H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26,28,43H,6-7,9,11-13,15,17-19,22,25,27,29-42H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-26-/t43-/m1/s1",MTMRNVMHOVUXLN,LQYSTYLLSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/15:0)",MTMRNVMHOVUXLN-LQYSTYLLSA-N
HMDB08692,807.577805117,C46H82NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27-28,44H,6-7,9,11-13,15,17-19,22,25-26,29-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-27-/t44-/m1/s1",ZEKZKKJDGPLPNX,WSRVZQLPSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",ZEKZKKJDGPLPNX-WSRVZQLPSA-N
HMDB08693,805.562155053,C46H80NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27-28,44H,6-7,9,11-13,15,18,22,25-26,29-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,28-27-/t44-/m1/s1",XVZHRLZRCCOROP,CIWMBDKCSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",XVZHRLZRCCOROP-CIWMBDKCSA-N
HMDB08694,835.609105245,C48H86NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,28,30,46H,6-7,9,11-13,15,17-19,21,23,26-27,29,31-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,30-28-/t46-/m1/s1",WRNCJRNSVGTWQJ,KEIGBYLJSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",WRNCJRNSVGTWQJ-KEIGBYLJSA-N
HMDB08695,833.593455181,C48H84NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,28,30,46H,6-7,9,11-13,15,18,21,23,26-27,29,31-45H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,25-24-,30-28-/t46-/m1/s1",ZMTZOGYHHRZBEB,VPPPPCJOSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",ZMTZOGYHHRZBEB-VPPPPCJOSA-N
HMDB08696,833.593455181,C48H84NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,28,30,46H,6-7,9,11-13,15,17-19,23,27,29,31-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1",DQRVNAQGVZKEPS,BWZUDBBASA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",DQRVNAQGVZKEPS-BWZUDBBASA-N
HMDB08697,831.577805117,C48H82NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30,46H,6-7,9,11-13,18-19,23,27,29,31-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1",GZKWTGODFVAUFD,AESFLKTRSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",GZKWTGODFVAUFD-AESFLKTRSA-N
HMDB08698,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30-31,33,46H,6-7,9,11-13,18-19,23,27,29,32,34-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1",JZRVOSBBLOOKKL,KZXZEBSASA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",JZRVOSBBLOOKKL-KZXZEBSASA-N
HMDB08699,829.562155053,C48H80NO8P,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,28,30,46H,6-7,12-13,18-19,23,27,29,31-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1",ZPSMONLLVNPRBY,MPUCUVMQSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",ZPSMONLLVNPRBY-MPUCUVMQSA-N
HMDB08700,827.546504989,C48H78NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,28,30-31,33,46H,6-7,12-13,18-19,23,27,29,32,34-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1",GEWKGWYRXQABQT,NLAWDJTBSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",GEWKGWYRXQABQT-NLAWDJTBSA-N
HMDB08701,863.640405373,C50H90NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,30,32,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-29,31,33-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,32-30-/t48-/m1/s1",PQDSIRFYBHSCGS,AJYQGTBASA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:0)",PQDSIRFYBHSCGS-AJYQGTBASA-N
HMDB08702,861.624755309,C50H88NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,30,32,48H,6-7,9,11-13,15,17-19,24,26,28-29,31,33-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,32-30-/t48-/m1/s1",OZHXZHXJMWKZQS,UBDQGBMGSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",OZHXZHXJMWKZQS-UBDQGBMGSA-N
HMDB08703,859.609105245,C50H86NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,30,32,48H,6-7,9,11-13,18-19,24,26,28-29,31,33-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,32-30-/t48-/m1/s1",AJBNRNQTYNUWET,NTTVHJNJSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))",AJBNRNQTYNUWET-NTTVHJNJSA-N
HMDB08704,857.593455181,C50H84NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,29-32,35,37,48H,6-7,9,11-13,15,17-19,24,26,28,33-34,36,38-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-/t48-/m1/s1",DHQDITVMQLORLU,KPOWXURSSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",DHQDITVMQLORLU-KPOWXURSSA-N
HMDB08705,857.593455181,C50H84NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,29-32,48H,6-7,9,11-13,18-19,24,26,28,33-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-/t48-/m1/s1",INJQVJGRRCTICK,HVPZSHMNSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))",INJQVJGRRCTICK-HVPZSHMNSA-N
HMDB08706,855.577805117,C50H82NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,29-32,35,37,48H,6-7,9,11-13,18-19,24,26,28,33-34,36,38-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-/t48-/m1/s1",TTZJZSVMAQEASX,LJQWYBBDSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",TTZJZSVMAQEASX-LJQWYBBDSA-N
HMDB08707,855.577805117,C50H82NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,48H,6-7,12-13,18-19,24,26,28,33-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-/t48-/m1/s1",VJMCFGCLCBZMER,GAIPNGGPSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",VJMCFGCLCBZMER-GAIPNGGPSA-N
HMDB08708,853.562155053,C50H80NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,35,37,48H,6-7,12-13,18-19,24,26,28,33-34,36,38-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-/t48-/m1/s1",DPRXXWQXDVQALC,MHXQHBEZSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",DPRXXWQXDVQALC-MHXQHBEZSA-N
HMDB08709,891.671705501,C52H94NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,32,34,50H,6-7,9,11-13,15,17-19,21,23-25,27,29-31,33,35-49H2,1-5H3/b10-8-,16-14-,22-20-,28-26-,34-32-/t50-/m1/s1",TVHRKYMNIXCPTB,KIIYQKDZSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:0)",TVHRKYMNIXCPTB-KIIYQKDZSA-N
HMDB08710,889.656055437,C52H92NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26,28,32,34,50H,6-7,9,11-13,15,17-19,24-25,27,29-31,33,35-49H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,34-32-/t50-/m1/s1",ZAEICWGSFPGLBM,QXYZTNCSSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",ZAEICWGSFPGLBM-QXYZTNCSSA-N
HMDB08711,887.640405373,C52H90NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26,28,32,34,50H,6-7,9,11-13,18-19,24-25,27,29-31,33,35-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,34-32-/t50-/m1/s1",BDTRQRPZFBSRNC,UZYAUPTASA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",BDTRQRPZFBSRNC-UZYAUPTASA-N
HMDB08712,883.609105245,C52H86NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32-35,50H,6-7,9,11-13,18-19,24-25,30-31,36-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t50-/m1/s1",USRUMYLBEZYICD,JXOCCZEKSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",USRUMYLBEZYICD-JXOCCZEKSA-N
HMDB08713,881.593455181,C52H84NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32-35,39,41,50H,6-7,9,11-13,18-19,24-25,30-31,36-38,40,42-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,41-39-/t50-/m1/s1",UOIMXTGLLZOGBA,JNWSTWDKSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UOIMXTGLLZOGBA-JNWSTWDKSA-N
HMDB08714,881.593455181,C52H84NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,50H,6-7,12-13,18-19,24-25,30-31,36-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t50-/m1/s1",XAFPNZQFSGKDDB,WRSGPNQTSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XAFPNZQFSGKDDB-WRSGPNQTSA-N
HMDB08715,879.577805117,C52H82NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,39,41,50H,6-7,12-13,18-19,24-25,30-31,36-38,40,42-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,41-39-/t50-/m1/s1",LIYXTHCSSCAYRI,VYKHTVRDSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LIYXTHCSSCAYRI-VYKHTVRDSA-N
HMDB08716,919.703005629,C54H98NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,30,34,36,52H,6-8,10,12-14,16,18-20,22,24-27,29,31-33,35,37-51H2,1-5H3/b11-9-,17-15-,23-21-,30-28-,36-34-/t52-/m1/s1",NRXPSFFKAAWMDT,PKLLBPIESA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)",NRXPSFFKAAWMDT-PKLLBPIESA-N
HMDB08717,917.687355565,C54H96NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,28,30,34,36,52H,6-8,10,12-14,16,18-19,24-27,29,31-33,35,37-51H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,30-28-,36-34-/t52-/m1/s1",BEJQJOHLDAYDTI,SDYBQKRXSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",BEJQJOHLDAYDTI-SDYBQKRXSA-N
HMDB08718,791.582890495,C46H82NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,38,41,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,41-38-",NJQMYYBEWKAWBA,QROROJFCSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0)",NJQMYYBEWKAWBA-QROROJFCSA-N
HMDB08719,819.614190623,C48H86NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,40,43,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,43-40-",KHICPJOTTBGGJP,LXZOKQGKSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0)",KHICPJOTTBGGJP-LXZOKQGKSA-N
HMDB08720,817.598540559,C48H84NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25-26,29,31,40,43,47H,6-7,9,11-13,15,18,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,26-25-,31-29-,43-40-",IBGYESWSWHJPKI,RXABMMRCSA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))",IBGYESWSWHJPKI-RXABMMRCSA-N
HMDB08721,817.598540559,C48H84NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25-26,29,31,40,43,47H,6-7,9,11-13,15,17-19,24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,26-25-,31-29-,43-40-",XUVCLJCZWPTAIO,OAKHYACESA,N,"PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))",XUVCLJCZWPTAIO-OAKHYACESA-N
HMDB08722,777.530854925,C44H76NO8P,CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,30,32,42H,6-7,9,11-13,15,17-18,21,24,26,28-29,31,33-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,32-30-/t42-/m1/s1",WJBQZCVRYZHPRT,VPDRWISVSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)",WJBQZCVRYZHPRT-VPDRWISVSA-N
HMDB08723,775.515204861,C44H74NO8P,CCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,25,27,30,32,42H,6-7,9,11-12,17-18,21,24,26,28-29,31,33-41H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,27-25-,32-30-/t42-/m1/s1",XXYFGENWFIHDGK,IAWUBWEXSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",XXYFGENWFIHDGK-IAWUBWEXSA-N
HMDB08724,791.546504989,C45H78NO8P,CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C45H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26,28,31,33,43H,6-7,9,11-13,15,17-19,22,25,27,29-30,32,34-42H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-26-,33-31-/t43-/m1/s1",HRYWZKNWBVEPAC,VEAQLNOCSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)",HRYWZKNWBVEPAC-VEAQLNOCSA-N
HMDB08725,805.562155053,C46H80NO8P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27-28,32,34,44H,6-7,9,11-13,15,17-19,22,25-26,29-31,33,35-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-27-,34-32-/t44-/m1/s1",YALZVLCVXOASDL,FZGNBNATSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",YALZVLCVXOASDL-FZGNBNATSA-N
HMDB08726,803.546504989,C46H78NO8P,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27-28,32,34,44H,6-7,9,11-13,15,18,22,25-26,29-31,33,35-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,28-27-,34-32-/t44-/m1/s1",XDRDYWGCXBEKPZ,DPUCSNIESA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",XDRDYWGCXBEKPZ-DPUCSNIESA-N
HMDB08727,833.593455181,C48H84NO8P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,28,30,34,36,46H,6-7,9,11-13,15,17-19,21,23,26-27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,30-28-,36-34-/t46-/m1/s1",AHWXJDWBIIDPKS,TZUVPVEASA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",AHWXJDWBIIDPKS-TZUVPVEASA-N
HMDB08728,831.577805117,C48H82NO8P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,28,30,34,36,46H,6-7,9,11-13,15,18,21,23,26-27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,25-24-,30-28-,36-34-/t46-/m1/s1",FZSMGXUQJBBGOW,AFEQKHKVSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",FZSMGXUQJBBGOW-AFEQKHKVSA-N
HMDB08729,831.577805117,C48H82NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,28,30,34,36,46H,6-7,9,11-13,15,17-19,23,27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1",NDBRCNIXDRLLSE,GSUBHOBPSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",NDBRCNIXDRLLSE-GSUBHOBPSA-N
HMDB08730,829.562155053,C48H80NO8P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30,34,36,46H,6-7,9,11-13,18-19,23,27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1",CRMDHZOCLIGOEV,HVMWQSSESA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",CRMDHZOCLIGOEV-HVMWQSSESA-N
HMDB08731,827.546504989,C48H78NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30-31,33-34,36,46H,6-7,9,11-13,18-19,23,27,29,32,35,37-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-,36-34-/t46-/m1/s1",VIMPHGVJPCSNPE,ZCLMWFBCSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",VIMPHGVJPCSNPE-ZCLMWFBCSA-N
HMDB08732,827.546504989,C48H78NO8P,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,28,30,34,36,46H,6-7,12-13,18-19,23,27,29,31-33,35,37-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1",MUTRKCAKGMDTAE,UQWSIBTKSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",MUTRKCAKGMDTAE-UQWSIBTKSA-N
HMDB08733,825.530854925,C48H76NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,28,30-31,33-34,36,46H,6-7,12-13,18-19,23,27,29,32,35,37-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-,36-34-/t46-/m1/s1",QKSASIXPZVMNOQ,FRDLTTBHSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",QKSASIXPZVMNOQ-FRDLTTBHSA-N
HMDB08734,861.624755309,C50H88NO8P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,30,32,36,38,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-29,31,33-35,37,39-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,32-30-,38-36-/t48-/m1/s1",BINZSSJRRWYPEG,FODDTAATSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)",BINZSSJRRWYPEG-FODDTAATSA-N
HMDB08735,859.609105245,C50H86NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,30,32,36,38,48H,6-7,9,11-13,15,17-19,24,26,28-29,31,33-35,37,39-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,32-30-,38-36-/t48-/m1/s1",NUWJFKUDPOFWDX,SUTZIRHMSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",NUWJFKUDPOFWDX-SUTZIRHMSA-N
HMDB08736,857.593455181,C50H84NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,30,32,36,38,48H,6-7,9,11-13,18-19,24,26,28-29,31,33-35,37,39-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,32-30-,38-36-/t48-/m1/s1",YQALKEKHNCHMNB,AKZYORSNSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))",YQALKEKHNCHMNB-AKZYORSNSA-N
HMDB08737,855.577805117,C50H82NO8P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,29-32,35-38,48H,6-7,9,11-13,15,17-19,24,26,28,33-34,39-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1",LISHASNOBRAOCI,CXBYSYEISA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",LISHASNOBRAOCI-CXBYSYEISA-N
HMDB08738,855.577805117,C50H82NO8P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,29-32,36,38,48H,6-7,9,11-13,18-19,24,26,28,33-35,37,39-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,38-36-/t48-/m1/s1",JVDHUVBREDGBHS,LTJMKADPSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))",JVDHUVBREDGBHS-LTJMKADPSA-N
HMDB08739,853.562155053,C50H80NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,29-32,35-38,48H,6-7,9,11-13,18-19,24,26,28,33-34,39-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1",YWVSCSFOXQDMHS,MOZFSHPBSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",YWVSCSFOXQDMHS-MOZFSHPBSA-N
HMDB08740,853.562155053,C50H80NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,36,38,48H,6-7,12-13,18-19,24,26,28,33-35,37,39-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,38-36-/t48-/m1/s1",MGQRQGIFWVBORI,KZIFFZJHSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",MGQRQGIFWVBORI-KZIFFZJHSA-N
HMDB08741,851.546504989,C50H78NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,35-38,48H,6-7,12-13,18-19,24,26,28,33-34,39-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1",IVBAZNXWBCRCPX,PGKHHPEYSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IVBAZNXWBCRCPX-PGKHHPEYSA-N
HMDB08742,889.656055437,C52H92NO8P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,32,34,38,40,50H,6-7,9,11-13,15,17-19,21,23-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b10-8-,16-14-,22-20-,28-26-,34-32-,40-38-/t50-/m1/s1",SWFIGWBNQFRSBV,KTDGABHYSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)",SWFIGWBNQFRSBV-KTDGABHYSA-N
HMDB08743,887.640405373,C52H90NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26,28,32,34,38,40,50H,6-7,9,11-13,15,17-19,24-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,34-32-,40-38-/t50-/m1/s1",DZRAETHMEMDWHO,JZUDTXPDSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",DZRAETHMEMDWHO-JZUDTXPDSA-N
HMDB08744,885.624755309,C52H88NO8P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26,28,32,34,38,40,50H,6-7,9,11-13,18-19,24-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,34-32-,40-38-/t50-/m1/s1",SFVZXPPFJCSDPE,PIWMHFGDSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",SFVZXPPFJCSDPE-PIWMHFGDSA-N
HMDB08745,881.593455181,C52H84NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32-35,38,40,50H,6-7,9,11-13,18-19,24-25,30-31,36-37,39,41-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-/t50-/m1/s1",SDGZGUSWMKBVSK,JQMGMGLJSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",SDGZGUSWMKBVSK-JQMGMGLJSA-N
HMDB08746,879.577805117,C52H82NO8P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32-35,38-41,50H,6-7,9,11-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1",UNYKSWZSYYEFKA,VLXLBJJVSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UNYKSWZSYYEFKA-VLXLBJJVSA-N
HMDB08747,879.577805117,C52H82NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C52H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38,40,50H,6-7,12-13,18-19,24-25,30-31,36-37,39,41-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-/t50-/m1/s1",ZIDNYCKAEBFOJS,MZMWOROTSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZIDNYCKAEBFOJS-MZMWOROTSA-N
HMDB08748,877.562155053,C52H80NO8P,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38-41,50H,6-7,12-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1",XLKQWAMTMYIQMG,SVUPRYTISA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XLKQWAMTMYIQMG-SVUPRYTISA-N
HMDB08749,917.687355565,C54H96NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,30,34,36,40,42,52H,6-8,10,12-14,16,18-20,22,24-27,29,31-33,35,37-39,41,43-51H2,1-5H3/b11-9-,17-15-,23-21-,30-28-,36-34-,42-40-/t52-/m1/s1",LKKWXROOWRVBLF,PQJGXWHOSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)",LKKWXROOWRVBLF-PQJGXWHOSA-N
HMDB08750,915.671705501,C54H94NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C54H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,28,30,34,36,40,42,52H,6-8,10,12-14,16,18-19,24-27,29,31-33,35,37-39,41,43-51H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,30-28-,36-34-,42-40-/t52-/m1/s1",HKPSEVXESLHAAR,SDEIJOJQSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",HKPSEVXESLHAAR-SDEIJOJQSA-N
HMDB08751,789.567240431,C46H80NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,38,41,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,35-33-,41-38-",GJRXIEGNAMFGOV,VEOGPPBOSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0)",GJRXIEGNAMFGOV-VEOGPPBOSA-N
HMDB08752,817.598540559,C48H84NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-,43-40-",FMBYBTSZVHUJMV,DIVFMYBRSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)",FMBYBTSZVHUJMV-DIVFMYBRSA-N
HMDB08753,815.582890495,C48H82NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,18,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,26-25-,31-29-,37-35-,43-40-",AWXYEASCHABQDU,LHDLUKIPSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))",AWXYEASCHABQDU-LHDLUKIPSA-N
HMDB08754,815.582890495,C48H82NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,17-19,24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,26-25-,31-29-,37-35-,43-40-",BETFSIOJEATXGY,WOCLASLBSA,N,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))",BETFSIOJEATXGY-WOCLASLBSA-N
HMDB08755,817.656055437,C46H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-28-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1",AOOITFXGGJDRQB,USYZEHPZSA,N,PC(24:0/14:0),AOOITFXGGJDRQB-USYZEHPZSA-N
HMDB08756,815.640405373,C46H90NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-28-17-15-13-11-9-7-2/h13,15,44H,6-12,14,16-43H2,1-5H3/b15-13-/t44-/m1/s1",ARMWEMUEJRQZCD,KTKPPDABSA,N,PC(24:0/14:1(9Z)),ARMWEMUEJRQZCD-KTKPPDABSA-N
HMDB08757,845.687355565,C48H96NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@](C)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C48H96NO8P/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-46(50)54-44-48(3,45-56-58(52,53)55-43-42-49(4,5)6)57-47(51)41-39-37-35-33-30-20-18-16-14-12-10-8-2/h7-45H2,1-6H3/t48-/m1/s1",KAHAVUOANNJTSI,QSCHNALKSA,N,PC(24:0/15:0),KAHAVUOANNJTSI-QSCHNALKSA-N
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HMDB08776,927.765605885,C54H106NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H106NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h21,23,52H,6-20,22,24-51H2,1-5H3/b23-21-/t52-/m1/s1",PBKFNMJYIVTETA,IKEBFYOJSA,N,PC(24:0/22:1(13Z)),PBKFNMJYIVTETA-IKEBFYOJSA-N
HMDB08777,925.749955821,C54H104NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,52H,6-14,16,18-20,22,24-51H2,1-5H3/b17-15-,23-21-/t52-/m1/s1",SGQGBXNILJEVKN,WIXQEAAPSA,N,"PC(24:0/22:2(13Z,16Z))",SGQGBXNILJEVKN-WIXQEAAPSA-N
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HMDB08814,915.671705501,C54H94NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,28,31,35,37,41,43,52H,6-8,10,12-14,16,18-19,24-27,29-30,32-34,36,38-40,42,44-51H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,31-28-,37-35-,43-41-/t52-/m1/s1",ATTFFZODBVQJID,YKEYOZCMSA,N,"PC(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ATTFFZODBVQJID-YKEYOZCMSA-N
HMDB08815,955.796906013,C56H110NO8P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C56H110NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,54H,6-19,21,23-53H2,1-5H3/b22-20-/t54-/m1/s1",BNBYJCYFXMLSKO,CVSYDIHQSA,N,PC(24:1(15Z)/24:0),BNBYJCYFXMLSKO-CVSYDIHQSA-N
HMDB08816,953.781255949,C56H108NO8P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,54H,6-19,24-53H2,1-5H3/b22-20-,23-21-/t54-/m1/s1",REWNAIYQZZOESC,CGKZWXATSA,N,PC(24:1(15Z)/24:1(15Z)),REWNAIYQZZOESC-CGKZWXATSA-N
HMDB08817,827.676790879,C48H94NO7P,CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-21-19-17-15-13-11-9-7-2/h20,22,40,43,47H,6-19,21,23-39,41-42,44-46H2,1-5H3/b22-20-,43-40-",LARCTGUWQQPWOV,QIWTVRBJSA,N,PC(24:1(15Z)/P-16:0),LARCTGUWQQPWOV-QIWTVRBJSA-N
HMDB08818,855.708091007,C50H98NO7P,CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-59(53,54)57-46-44-51(3,4)5)55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h20,22,42,45,49H,6-19,21,23-41,43-44,46-48H2,1-5H3/b22-20-,45-42-",PGPURMZKEVWAFO,VMNSASLRSA,N,PC(24:1(15Z)/P-18:0),PGPURMZKEVWAFO-VMNSASLRSA-N
HMDB08819,853.692440943,C50H96NO7P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-59(53,54)57-46-44-51(3,4)5)55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,42,45,49H,6-16,18,21,23-41,43-44,46-48H2,1-5H3/b19-17-,22-20-,45-42-",XUCRMKOOPPYQFN,JFKFTMGCSA,N,PC(24:1(15Z)/P-18:1(11Z)),XUCRMKOOPPYQFN-JFKFTMGCSA-N
HMDB08820,853.692440943,C50H96NO7P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-59(53,54)57-46-44-51(3,4)5)55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h20-23,42,45,49H,6-19,24-41,43-44,46-48H2,1-5H3/b22-20-,23-21-,45-42-",ZLQCRABYIDJNLT,AZPQEANBSA,N,PC(24:1(15Z)/P-18:1(9Z)),ZLQCRABYIDJNLT-AZPQEANBSA-N
HMDB08821,635.452605087,C33H66NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1",NEZDNQCXEZDCBI,WJOKGBTCSA,N,PE(14:0/14:0),NEZDNQCXEZDCBI-WJOKGBTCSA-N
HMDB08822,633.436955023,C33H64NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C33H64NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,31H,3-9,11,13-30,34H2,1-2H3,(H,37,38)/b12-10-/t31-/m1/s1",KKYHRRVXUVMRJB,QPLOXXCYSA,N,PE(14:0/14:1(9Z)),KKYHRRVXUVMRJB-QPLOXXCYSA-N
HMDB08823,649.468255152,C34H68NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C34H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(37)43-32(31-42-44(38,39)41-29-28-35)30-40-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31,35H2,1-2H3,(H,38,39)/t32-/m1/s1",VQQFJLCUEFKGHJ,JGCGQSQUSA,N,PE(14:0/15:0),VQQFJLCUEFKGHJ-JGCGQSQUSA-N
HMDB08824,663.483905216,C35H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1",FXNACVVCWBVCGD,MGBGTMOVSA,N,PE(14:0/16:0),FXNACVVCWBVCGD-MGBGTMOVSA-N
HMDB08825,661.468255152,C35H68NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h13,15,33H,3-12,14,16-32,36H2,1-2H3,(H,39,40)/b15-13-/t33-/m1/s1",AZKOMSGSPCBHKK,AVKQKRQHSA,N,PE(14:0/16:1(9Z)),AZKOMSGSPCBHKK-AVKQKRQHSA-N
HMDB08826,691.515205345,C37H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1",AUSLLMXXJBCZGL,PGUFJCEWSA,N,PE(14:0/18:0),AUSLLMXXJBCZGL-PGUFJCEWSA-N
HMDB08827,689.49955528,C37H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34,38H2,1-2H3,(H,41,42)/b15-13-/t35-/m1/s1",UFSJDLNEPCFOCJ,JUOLSMOWSA,N,PE(14:0/18:1(11Z)),UFSJDLNEPCFOCJ-JUOLSMOWSA-N
HMDB08828,689.49955528,C37H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,35H,3-15,18-34,38H2,1-2H3,(H,41,42)/b17-16-/t35-/m1/s1",QZGYPUQNTDWNBR,XHYHITGYSA,N,PE(14:0/18:1(9Z)),QZGYPUQNTDWNBR-XHYHITGYSA-N
HMDB08829,687.483904733,C37H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,35H,3-10,12,14-15,18-34,38H2,1-2H3,(H,41,42)/b13-11-,17-16-/t35-/m1/s1",HMARMWSETGYKDK,AOGVJQIJSA,N,"PE(14:0/18:2(9Z,12Z))",HMARMWSETGYKDK-AOGVJQIJSA-N
HMDB08830,685.468254669,C37H68NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,20,22,35H,3-10,12,14-15,18-19,21,23-34,38H2,1-2H3,(H,41,42)/b13-11-,17-16-,22-20-/t35-/m1/s1",UDYVHSUMHVZJIP,AKWMQZFTSA,N,"PE(14:0/18:3(6Z,9Z,12Z))",UDYVHSUMHVZJIP-AKWMQZFTSA-N
HMDB08831,685.468254669,C37H68NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,35H,3-4,6,8-10,12,14-15,18-34,38H2,1-2H3,(H,41,42)/b7-5-,13-11-,17-16-/t35-/m1/s1",UQHUDDVHEIGOTM,SPJWFKKYSA,N,"PE(14:0/18:3(9Z,12Z,15Z))",UQHUDDVHEIGOTM-SPJWFKKYSA-N
HMDB08832,683.452604605,C37H66NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20,22,35H,3-4,6,8-10,12,14-15,18-19,21,23-34,38H2,1-2H3,(H,41,42)/b7-5-,13-11-,17-16-,22-20-/t35-/m1/s1",RFPZJGWROFRHBT,BRSQCVDYSA,N,"PE(14:0/18:4(6Z,9Z,12Z,15Z))",RFPZJGWROFRHBT-BRSQCVDYSA-N
HMDB08833,719.546504989,C39H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1",LCJFVEQXGBUSEF,DIPNUNPCSA,N,PE(14:0/20:0),LCJFVEQXGBUSEF-DIPNUNPCSA-N
HMDB08834,717.530854925,C39H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,37H,3-15,18-36,40H2,1-2H3,(H,43,44)/b17-16-/t37-/m1/s1",BPFXNETZQIVTNB,OBYUZFALSA,N,PE(14:0/20:1(11Z)),BPFXNETZQIVTNB-OBYUZFALSA-N
HMDB08835,715.515204861,C39H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,37H,3-10,12,14-15,18-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-/t37-/m1/s1",RXKSKZZAOIRFLK,UQYDIMRYSA,N,"PE(14:0/20:2(11Z,14Z))",RXKSKZZAOIRFLK-UQYDIMRYSA-N
HMDB08836,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,19-20,24,26,37H,3-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b17-16-,20-19-,26-24-/t37-/m1/s1",XWFNQNWYEQUBPP,AXXMIQHMSA,N,"PE(14:0/20:3(5Z,8Z,11Z))",XWFNQNWYEQUBPP-AXXMIQHMSA-N
HMDB08837,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,37H,3-10,12,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-,20-19-/t37-/m1/s1",RAYUXPPYGXZJRB,OWNGUKFPSA,N,"PE(14:0/20:3(8Z,11Z,14Z))",RAYUXPPYGXZJRB-OWNGUKFPSA-N
HMDB08838,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,24,26,37H,3-10,12,14-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-,20-19-,26-24-/t37-/m1/s1",PCNMLNCECLPPIO,CIAQOEIVSA,N,"PE(14:0/20:4(5Z,8Z,11Z,14Z))",PCNMLNCECLPPIO-CIAQOEIVSA-N
HMDB08839,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,37H,3-4,6,8-10,12,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,17-16-,20-19-/t37-/m1/s1",MNVGUNLOWKLLFC,ITHHLQSFSA,N,"PE(14:0/20:4(8Z,11Z,14Z,17Z))",MNVGUNLOWKLLFC-ITHHLQSFSA-N
HMDB08840,709.468254669,C39H68NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,24,26,37H,3-4,6,8-10,12,14-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,17-16-,20-19-,26-24-/t37-/m1/s1",WXAADESEYPIPOB,GLRKTWBISA,N,"PE(14:0/20:5(5Z,8Z,11Z,14Z,17Z))",WXAADESEYPIPOB-GLRKTWBISA-N
HMDB08841,747.577805117,C41H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1",RUGZHLOPROZNNS,LDLOPFEMSA,N,PE(14:0/22:0),RUGZHLOPROZNNS-LDLOPFEMSA-N
HMDB08842,745.562155053,C41H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h16-17,39H,3-15,18-38,42H2,1-2H3,(H,45,46)/b17-16-/t39-/m1/s1",RETPVUGMYRRYPF,SGFDTVKUSA,N,PE(14:0/22:1(13Z)),RETPVUGMYRRYPF-SGFDTVKUSA-N
HMDB08843,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,39H,3-10,12,14-15,18-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-/t39-/m1/s1",OUEUPCHAIFZTKH,LSWZYRHBSA,N,"PE(14:0/22:2(13Z,16Z))",OUEUPCHAIFZTKH-LSWZYRHBSA-N
HMDB08844,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,39H,3-10,12,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-,24-22-/t39-/m1/s1",KUPNWZACJRZMJD,SIOSMUJOSA,N,"PE(14:0/22:4(7Z,10Z,13Z,16Z))",KUPNWZACJRZMJD-SIOSMUJOSA-N
HMDB08845,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,28,30,39H,3-10,12,14-15,18,21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-,24-22-,30-28-/t39-/m1/s1",WPOPBYPPPATGDY,UQGWHFHQSA,N,"PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))",WPOPBYPPPATGDY-UQGWHFHQSA-N
HMDB08846,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,39H,3-4,6,8-10,12,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1",OLTAMBWFMLAKHP,QOIQEGQCSA,N,"PE(14:0/22:5(7Z,10Z,13Z,16Z,19Z))",OLTAMBWFMLAKHP-QOIQEGQCSA-N
HMDB08847,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,28,30,39H,3-4,6,8-10,12,14-15,18,21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,17-16-,20-19-,24-22-,30-28-/t39-/m1/s1",XQLJDXRKMXWECX,ZAVIFPEHSA,N,"PE(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XQLJDXRKMXWECX-ZAVIFPEHSA-N
HMDB08848,775.609105245,C43H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1",PHTAMEFBOLJOPU,VQJSHJPSSA,N,PE(14:0/24:0),PHTAMEFBOLJOPU-VQJSHJPSSA-N
HMDB08849,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17,41H,3-15,18-40,44H2,1-2H3,(H,47,48)/b17-16-/t41-/m1/s1",PHNTZMYSEVOGFP,SJWLXQKBSA,N,PE(14:0/24:1(15Z)),PHNTZMYSEVOGFP-SJWLXQKBSA-N
HMDB08850,647.488990111,C35H70NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C35H70NO7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30-40-34(33-43-44(38,39)42-31-29-36)32-41-35(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h27,30,34H,3-26,28-29,31-33,36H2,1-2H3,(H,38,39)/b30-27-/t34-/m1/s1",SSSVBZIEDMXADP,CLCWMZMISA,N,PE(14:0/P-16:0),SSSVBZIEDMXADP-CLCWMZMISA-N
HMDB08851,675.520290239,C37H74NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1",JABQJBDQHHIMEX,PXOIRPRXSA,N,PE(14:0/P-18:0),JABQJBDQHHIMEX-PXOIRPRXSA-N
HMDB08852,673.504640175,C37H72NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h13,15,29,32,36H,3-12,14,16-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b15-13-,32-29-/t36-/m1/s1",RQUHIRHPYPYBFX,AOXBWRSQSA,N,PE(14:0/P-18:1(11Z)),RQUHIRHPYPYBFX-AOXBWRSQSA-N
HMDB08853,673.504640175,C37H72NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17,29,32,36H,3-15,18-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b17-16-,32-29-/t36-/m1/s1",ZGOJVHUUENUKQJ,BOYFLGGYSA,N,PE(14:0/P-18:1(9Z)),ZGOJVHUUENUKQJ-BOYFLGGYSA-N
HMDB08854,633.436954541,C33H64NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C33H64NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,31H,3-8,10,12-30,34H2,1-2H3,(H,37,38)/b11-9-/t31-/m1/s1",FGWIVUFUAVCXMN,HEDIVAJHSA,N,PE(14:1(9Z)/14:0),FGWIVUFUAVCXMN-HEDIVAJHSA-N
HMDB08855,631.421304477,C33H62NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C33H62NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,31H,3-8,13-30,34H2,1-2H3,(H,37,38)/b11-9-,12-10-/t31-/m1/s1",NMAFIXDXWCNTFK,HFQSORNJSA,N,PE(14:1(9Z)/14:1(9Z)),NMAFIXDXWCNTFK-HFQSORNJSA-N
HMDB08856,647.452604605,C34H66NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C34H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(37)43-32(31-42-44(38,39)41-29-28-35)30-40-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,32H,3-9,11,13-31,35H2,1-2H3,(H,38,39)/b12-10-/t32-/m1/s1",SUOCBQJZTPKWHX,PGKKXZESSA,N,PE(14:1(9Z)/15:0),SUOCBQJZTPKWHX-PGKKXZESSA-N
HMDB08857,661.468254669,C35H68NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12,33H,3-9,11,13-32,36H2,1-2H3,(H,39,40)/b12-10-/t33-/m1/s1",IXIBEFBSXYIWMP,ALMVXPMNSA,N,PE(14:1(9Z)/16:0),IXIBEFBSXYIWMP-ALMVXPMNSA-N
HMDB08858,659.452604605,C35H66NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C35H66NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12-13,15,33H,3-9,11,14,16-32,36H2,1-2H3,(H,39,40)/b12-10-,15-13-/t33-/m1/s1",ZXHZOZOKRSLOIE,HMDBOOPKSA,N,PE(14:1(9Z)/16:1(9Z)),ZXHZOZOKRSLOIE-HMDBOOPKSA-N
HMDB08859,689.499554797,C37H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12,35H,3-9,11,13-34,38H2,1-2H3,(H,41,42)/b12-10-/t35-/m1/s1",HGOCPWTXRYWCLU,YPZHICNLSA,N,PE(14:1(9Z)/18:0),HGOCPWTXRYWCLU-YPZHICNLSA-N
HMDB08860,687.483904733,C37H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12-13,15,35H,3-9,11,14,16-34,38H2,1-2H3,(H,41,42)/b12-10-,15-13-/t35-/m1/s1",JGQVWZNLIZVDPN,GWOLXUBNSA,N,PE(14:1(9Z)/18:1(11Z)),JGQVWZNLIZVDPN-GWOLXUBNSA-N
HMDB08861,687.483904733,C37H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12,16-17,35H,3-9,11,13-15,18-34,38H2,1-2H3,(H,41,42)/b12-10-,17-16-/t35-/m1/s1",LNSLMJAJCZTRJX,VCEJZXRASA,N,PE(14:1(9Z)/18:1(9Z)),LNSLMJAJCZTRJX-VCEJZXRASA-N
HMDB08862,685.468254669,C37H68NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h10-13,16-17,35H,3-9,14-15,18-34,38H2,1-2H3,(H,41,42)/b12-10-,13-11-,17-16-/t35-/m1/s1",XDSMOXQHORVVGK,CTBOXKONSA,N,"PE(14:1(9Z)/18:2(9Z,12Z))",XDSMOXQHORVVGK-CTBOXKONSA-N
HMDB08863,683.452604605,C37H66NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h10-13,16-17,20,22,35H,3-9,14-15,18-19,21,23-34,38H2,1-2H3,(H,41,42)/b12-10-,13-11-,17-16-,22-20-/t35-/m1/s1",GRLZPNRSNNMVHX,JFWNZQDJSA,N,"PE(14:1(9Z)/18:3(6Z,9Z,12Z))",GRLZPNRSNNMVHX-JFWNZQDJSA-N
HMDB08864,683.452604605,C37H66NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,35H,3-4,6,8-9,14-15,18-34,38H2,1-2H3,(H,41,42)/b7-5-,12-10-,13-11-,17-16-/t35-/m1/s1",JSUYNJKAWQKHKU,YUOYCBLWSA,N,"PE(14:1(9Z)/18:3(9Z,12Z,15Z))",JSUYNJKAWQKHKU-YUOYCBLWSA-N
HMDB08865,681.436954541,C37H64NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H64NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,20,22,35H,3-4,6,8-9,14-15,18-19,21,23-34,38H2,1-2H3,(H,41,42)/b7-5-,12-10-,13-11-,17-16-,22-20-/t35-/m1/s1",KKYYCRKKXHZGCD,BBKKEFMFSA,N,"PE(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",KKYYCRKKXHZGCD-BBKKEFMFSA-N
HMDB08866,717.530854925,C39H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10,12,37H,3-9,11,13-36,40H2,1-2H3,(H,43,44)/b12-10-/t37-/m1/s1",HLDSVLSCMIYWMM,CAPKZEEOSA,N,PE(14:1(9Z)/20:0),HLDSVLSCMIYWMM-CAPKZEEOSA-N
HMDB08867,715.515204861,C39H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10,12,16-17,37H,3-9,11,13-15,18-36,40H2,1-2H3,(H,43,44)/b12-10-,17-16-/t37-/m1/s1",UALNVYZBISOVQV,DFQIBMCCSA,N,PE(14:1(9Z)/20:1(11Z)),UALNVYZBISOVQV-DFQIBMCCSA-N
HMDB08868,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,37H,3-9,14-15,18-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-/t37-/m1/s1",QEPGPOLSCPMSDZ,RGWCGLOOSA,N,"PE(14:1(9Z)/20:2(11Z,14Z))",QEPGPOLSCPMSDZ-RGWCGLOOSA-N
HMDB08869,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10,12,16-17,19-20,24,26,37H,3-9,11,13-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b12-10-,17-16-,20-19-,26-24-/t37-/m1/s1",SMXMFTJWRTVDGF,JAAXCRINSA,N,"PE(14:1(9Z)/20:3(5Z,8Z,11Z))",SMXMFTJWRTVDGF-JAAXCRINSA-N
HMDB08870,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,37H,3-9,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-,20-19-/t37-/m1/s1",WUDDUXUZWUAVKC,UGDGXCRESA,N,"PE(14:1(9Z)/20:3(8Z,11Z,14Z))",WUDDUXUZWUAVKC-UGDGXCRESA-N
HMDB08871,709.468254669,C39H68NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,24,26,37H,3-9,14-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-,20-19-,26-24-/t37-/m1/s1",PQVDMZGDVGFNOV,BAXWKAISSA,N,"PE(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",PQVDMZGDVGFNOV-BAXWKAISSA-N
HMDB08872,709.468254669,C39H68NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,37H,3-4,6,8-9,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b7-5-,12-10-,13-11-,17-16-,20-19-/t37-/m1/s1",GUBOMCDFQFOXDM,UQQSXITBSA,N,"PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",GUBOMCDFQFOXDM-UQQSXITBSA-N
HMDB08873,707.452604605,C39H66NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,24,26,37H,3-4,6,8-9,14-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b7-5-,12-10-,13-11-,17-16-,20-19-,26-24-/t37-/m1/s1",AWTJQBOUKQEACS,MXEPGKFPSA,N,"PE(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",AWTJQBOUKQEACS-MXEPGKFPSA-N
HMDB08874,745.562155053,C41H80NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h10,12,39H,3-9,11,13-38,42H2,1-2H3,(H,45,46)/b12-10-/t39-/m1/s1",BSVQKPRGDPWRBO,IQEWKVFESA,N,PE(14:1(9Z)/22:0),BSVQKPRGDPWRBO-IQEWKVFESA-N
HMDB08875,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h10,12,16-17,39H,3-9,11,13-15,18-38,42H2,1-2H3,(H,45,46)/b12-10-,17-16-/t39-/m1/s1",CUUIBVDVVFLYGA,ZDMXYWDMSA,N,PE(14:1(9Z)/22:1(13Z)),CUUIBVDVVFLYGA-ZDMXYWDMSA-N
HMDB08876,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,39H,3-9,14-15,18-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-/t39-/m1/s1",XQEKQVXPNUSEMG,UUYHJMQVSA,N,"PE(14:1(9Z)/22:2(13Z,16Z))",XQEKQVXPNUSEMG-UUYHJMQVSA-N
HMDB08877,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,39H,3-9,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1",YUJQBXOEHWTQIZ,GEQLDFBFSA,N,"PE(14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",YUJQBXOEHWTQIZ-GEQLDFBFSA-N
HMDB08878,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,28,30,39H,3-9,14-15,18,21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t39-/m1/s1",HXBBCCXEPDLLJQ,WKLXBMSWSA,N,"PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HXBBCCXEPDLLJQ-WKLXBMSWSA-N
HMDB08879,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,39H,3-4,6,8-9,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1",SMOJTBUCMLDHID,BQPFVXKTSA,N,"PE(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SMOJTBUCMLDHID-BQPFVXKTSA-N
HMDB08880,733.468254669,C41H68NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,28,30,39H,3-4,6,8-9,14-15,18,21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t39-/m1/s1",OTZUTPFGNYUSNH,FVGNAHSGSA,N,"PE(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OTZUTPFGNYUSNH-FVGNAHSGSA-N
HMDB08881,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h10,12,41H,3-9,11,13-40,44H2,1-2H3,(H,47,48)/b12-10-/t41-/m1/s1",IPBXKYJWPCRPLD,AFHWQMSISA,N,PE(14:1(9Z)/24:0),IPBXKYJWPCRPLD-AFHWQMSISA-N
HMDB08882,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h10,12,16-17,41H,3-9,11,13-15,18-40,44H2,1-2H3,(H,47,48)/b12-10-,17-16-/t41-/m1/s1",QHFLHJLJIVRZEW,KBELHWENSA,N,PE(14:1(9Z)/24:1(15Z)),QHFLHJLJIVRZEW-KBELHWENSA-N
HMDB08883,645.473340047,C35H68NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C35H68NO7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30-40-34(33-43-44(38,39)42-31-29-36)32-41-35(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12,27,30,34H,3-9,11,13-26,28-29,31-33,36H2,1-2H3,(H,38,39)/b12-10-,30-27-/t34-/m1/s1",IARRPLCCQOJAGQ,IEGLPGIQSA,N,PE(14:1(9Z)/P-16:0),IARRPLCCQOJAGQ-IEGLPGIQSA-N
HMDB08884,673.504640175,C37H72NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12,29,32,36H,3-9,11,13-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,32-29-/t36-/m1/s1",WLWPAMZQCSHHAJ,FHMJPHBHSA,N,PE(14:1(9Z)/P-18:0),WLWPAMZQCSHHAJ-FHMJPHBHSA-N
HMDB08885,671.488990111,C37H70NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C37H70NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12-13,15,29,32,36H,3-9,11,14,16-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,15-13-,32-29-/t36-/m1/s1",XAXUTKKCQMYMCO,WTTKYJQQSA,N,PE(14:1(9Z)/P-18:1(11Z)),XAXUTKKCQMYMCO-WTTKYJQQSA-N
HMDB08886,671.488990111,C37H70NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C37H70NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12,16-17,29,32,36H,3-9,11,13-15,18-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,17-16-,32-29-/t36-/m1/s1",UOSZAYVDJAMBNF,LWZUAZIBSA,N,PE(14:1(9Z)/P-18:1(9Z)),UOSZAYVDJAMBNF-LWZUAZIBSA-N
HMDB08887,649.468255152,C34H68NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C34H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-21-19-16-14-12-10-8-6-4-2/h32H,3-31,35H2,1-2H3,(H,38,39)/t32-/m1/s1",VNPKEVZXIMYUIM,JGCGQSQUSA,N,PE(15:0/14:0),VNPKEVZXIMYUIM-JGCGQSQUSA-N
HMDB08888,647.452604605,C34H66NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C34H66NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-21-19-16-14-12-10-8-6-4-2/h10,12,32H,3-9,11,13-31,35H2,1-2H3,(H,38,39)/b12-10-/t32-/m1/s1",OIERHHCSSSRIJH,PGKKXZESSA,N,PE(15:0/14:1(9Z)),OIERHHCSSSRIJH-PGKKXZESSA-N
HMDB08889,663.483905216,C35H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1",SKVKIGSFTGVBOX,MGBGTMOVSA,N,PE(15:0/15:0),SKVKIGSFTGVBOX-MGBGTMOVSA-N
HMDB08890,677.49955528,C36H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C36H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34H,3-33,37H2,1-2H3,(H,40,41)/t34-/m1/s1",DCIHLTIBNFDPMW,UUWRZZSWSA,N,PE(15:0/16:0),DCIHLTIBNFDPMW-UUWRZZSWSA-N
HMDB08891,675.483905216,C36H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C36H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,34H,3-12,14,16-33,37H2,1-2H3,(H,40,41)/b15-13-/t34-/m1/s1",YMEQXDCYZVOOFR,NOLSVFIGSA,N,PE(15:0/16:1(9Z)),YMEQXDCYZVOOFR-NOLSVFIGSA-N
HMDB08892,705.530854925,C38H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C38H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h36H,3-35,39H2,1-2H3,(H,42,43)/t36-/m1/s1",OZKFXEPRCADVOK,PSXMRANNSA,N,PE(15:0/18:0),OZKFXEPRCADVOK-PSXMRANNSA-N
HMDB08893,703.515204861,C38H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,36H,3-12,14,16-35,39H2,1-2H3,(H,42,43)/b15-13-/t36-/m1/s1",LKUKJIYAXQFZTD,MRDDHZETSA,N,PE(15:0/18:1(11Z)),LKUKJIYAXQFZTD-MRDDHZETSA-N
HMDB08894,703.515205345,C38H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,36H,3-16,19-35,39H2,1-2H3,(H,42,43)/b18-17-/t36-/m1/s1",ADCNXGARWPJRBV,UVCQAILXSA,N,PE(15:0/18:1(9Z)),ADCNXGARWPJRBV-UVCQAILXSA-N
HMDB08895,701.499554797,C38H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C38H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,36H,3-10,12,14-16,19-35,39H2,1-2H3,(H,42,43)/b13-11-,18-17-/t36-/m1/s1",QAXAIGXHZKFJPP,QYTRANCOSA,N,"PE(15:0/18:2(9Z,12Z))",QAXAIGXHZKFJPP-QYTRANCOSA-N
HMDB08896,699.483904733,C38H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,36H,3-10,12,14-16,19-20,22,24-35,39H2,1-2H3,(H,42,43)/b13-11-,18-17-,23-21-/t36-/m1/s1",GWYYRAKVDNZTNO,XXMBNBOLSA,N,"PE(15:0/18:3(6Z,9Z,12Z))",GWYYRAKVDNZTNO-XXMBNBOLSA-N
HMDB08897,699.483904733,C38H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36H,3-4,6,8-10,12,14-16,19-35,39H2,1-2H3,(H,42,43)/b7-5-,13-11-,18-17-/t36-/m1/s1",QYAFHHVSVPBLGQ,IUUYEROKSA,N,"PE(15:0/18:3(9Z,12Z,15Z))",QYAFHHVSVPBLGQ-IUUYEROKSA-N
HMDB08898,697.468254669,C38H68NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C38H68NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,36H,3-4,6,8-10,12,14-16,19-20,22,24-35,39H2,1-2H3,(H,42,43)/b7-5-,13-11-,18-17-,23-21-/t36-/m1/s1",GVDFMUXASLGAJL,PQZRPTSLSA,N,"PE(15:0/18:4(6Z,9Z,12Z,15Z))",GVDFMUXASLGAJL-PQZRPTSLSA-N
HMDB08899,733.562155053,C40H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1",NJGIRBISCGPRPF,KXQOOQHDSA,N,PE(15:0/20:0),NJGIRBISCGPRPF-KXQOOQHDSA-N
HMDB08900,731.546504989,C40H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C40H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,38H,3-16,19-37,41H2,1-2H3,(H,44,45)/b18-17-/t38-/m1/s1",DAZYZDVAACSMFA,DYFSFZQGSA,N,PE(15:0/20:1(11Z)),DAZYZDVAACSMFA-DYFSFZQGSA-N
HMDB08901,729.530854925,C40H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,38H,3-10,12,14-16,19-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-/t38-/m1/s1",FXYFFYOQPWNFJZ,XGKJNDTMSA,N,"PE(15:0/20:2(11Z,14Z))",FXYFFYOQPWNFJZ-XGKJNDTMSA-N
HMDB08902,727.515204861,C40H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,20-21,25,27,38H,3-16,19,22-24,26,28-37,41H2,1-2H3,(H,44,45)/b18-17-,21-20-,27-25-/t38-/m1/s1",BJCCSJNXSAXALV,ATCWMZAXSA,N,"PE(15:0/20:3(5Z,8Z,11Z))",BJCCSJNXSAXALV-ATCWMZAXSA-N
HMDB08903,727.515204861,C40H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,38H,3-10,12,14-16,19,22-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-,21-20-/t38-/m1/s1",SZZCMHZXMWIKPE,IRHHTPKQSA,N,"PE(15:0/20:3(8Z,11Z,14Z))",SZZCMHZXMWIKPE-IRHHTPKQSA-N
HMDB08904,725.499554797,C40H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C40H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,25,27,38H,3-10,12,14-16,19,22-24,26,28-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-,21-20-,27-25-/t38-/m1/s1",MQYXRLOJMZSONC,RUFREIRGSA,N,"PE(15:0/20:4(5Z,8Z,11Z,14Z))",MQYXRLOJMZSONC-RUFREIRGSA-N
HMDB08905,725.499554797,C40H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C40H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,38H,3-4,6,8-10,12,14-16,19,22-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,18-17-,21-20-/t38-/m1/s1",PNJZUQDFCCAMNB,DEDYATDTSA,N,"PE(15:0/20:4(8Z,11Z,14Z,17Z))",PNJZUQDFCCAMNB-DEDYATDTSA-N
HMDB08906,723.483904733,C40H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C40H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,25,27,38H,3-4,6,8-10,12,14-16,19,22-24,26,28-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,18-17-,21-20-,27-25-/t38-/m1/s1",RAJRALIPDBBWPS,ISMOQHFASA,N,"PE(15:0/20:5(5Z,8Z,11Z,14Z,17Z))",RAJRALIPDBBWPS-ISMOQHFASA-N
HMDB08907,761.593455181,C42H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C42H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h40H,3-39,43H2,1-2H3,(H,46,47)/t40-/m1/s1",IXKGMCOCPZEZER,RRHRGVEJSA,N,PE(15:0/22:0),IXKGMCOCPZEZER-RRHRGVEJSA-N
HMDB08908,759.577805117,C42H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h17-18,40H,3-16,19-39,43H2,1-2H3,(H,46,47)/b18-17-/t40-/m1/s1",MUWFEEOSXPAQIY,LQOXNGKESA,N,PE(15:0/22:1(13Z)),MUWFEEOSXPAQIY-LQOXNGKESA-N
HMDB08909,757.562155053,C42H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,40H,3-10,12,14-16,19-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-/t40-/m1/s1",ZHZTYDTVUSPVLX,UQZFHPPLSA,N,"PE(15:0/22:2(13Z,16Z))",ZHZTYDTVUSPVLX-UQZFHPPLSA-N
HMDB08910,753.530854925,C42H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,40H,3-10,12,14-16,19,22,24,26-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-,21-20-,25-23-/t40-/m1/s1",ZUOSDGSPHKTWTC,VPKDSPBBSA,N,"PE(15:0/22:4(7Z,10Z,13Z,16Z))",ZUOSDGSPHKTWTC-VPKDSPBBSA-N
HMDB08911,751.515204861,C42H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,29,31,40H,3-10,12,14-16,19,22,24,26-28,30,32-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-,21-20-,25-23-,31-29-/t40-/m1/s1",GMJZFMGAYZSOKQ,YBHUKKJQSA,N,"PE(15:0/22:5(4Z,7Z,10Z,13Z,16Z))",GMJZFMGAYZSOKQ-YBHUKKJQSA-N
HMDB08912,751.515204861,C42H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,40H,3-4,6,8-10,12,14-16,19,22,24,26-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-/t40-/m1/s1",YXGCBPWAMODFAG,REYWUPTISA,N,"PE(15:0/22:5(7Z,10Z,13Z,16Z,19Z))",YXGCBPWAMODFAG-REYWUPTISA-N
HMDB08913,749.499554797,C42H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,40H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-/t40-/m1/s1",WIJRNOBSWIZHST,VBSWXDJFSA,N,"PE(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WIJRNOBSWIZHST-VBSWXDJFSA-N
HMDB08914,789.624755309,C44H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C44H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h42H,3-41,45H2,1-2H3,(H,48,49)/t42-/m1/s1",VYBCJTRCGBXKFD,HUESYALOSA,N,PE(15:0/24:0),VYBCJTRCGBXKFD-HUESYALOSA-N
HMDB08915,787.609105245,C44H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C44H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,42H,3-16,19-41,45H2,1-2H3,(H,48,49)/b18-17-/t42-/m1/s1",BKEXQZFCWMPQBK,IVWGLPAOSA,N,PE(15:0/24:1(15Z)),BKEXQZFCWMPQBK-IVWGLPAOSA-N
HMDB08916,661.504640175,C36H72NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C36H72NO7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-41-35(34-44-45(39,40)43-32-30-37)33-42-36(38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h28,31,35H,3-27,29-30,32-34,37H2,1-2H3,(H,39,40)/b31-28-/t35-/m1/s1",UBSQUFRHLMOAJH,HWZZGRHZSA,N,PE(15:0/P-16:0),UBSQUFRHLMOAJH-HWZZGRHZSA-N
HMDB08917,689.535940303,C38H76NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C38H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39)35-44-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h30,33,37H,3-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b33-30-/t37-/m1/s1",VMKHWVDXCBTNNQ,APMJBGCSSA,N,PE(15:0/P-18:0),VMKHWVDXCBTNNQ-APMJBGCSSA-N
HMDB08918,687.520290239,C38H74NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C38H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39)35-44-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13,15,30,33,37H,3-12,14,16-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b15-13-,33-30-/t37-/m1/s1",LGGSOLAVLOVWKH,MWXRYAQWSA,N,PE(15:0/P-18:1(11Z)),LGGSOLAVLOVWKH-MWXRYAQWSA-N
HMDB08919,687.520290239,C38H74NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C38H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39)35-44-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,30,33,37H,3-16,19-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b18-17-,33-30-/t37-/m1/s1",UGJKHZQGWKVNSH,AKQNLXICSA,N,PE(15:0/P-18:1(9Z)),UGJKHZQGWKVNSH-AKQNLXICSA-N
HMDB08920,663.483905216,C35H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1",MMLCPRRXWWDUCM,MGBGTMOVSA,N,PE(16:0/14:0),MMLCPRRXWWDUCM-MGBGTMOVSA-N
HMDB08921,661.468255152,C35H68NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12,33H,3-9,11,13-32,36H2,1-2H3,(H,39,40)/b12-10-/t33-/m1/s1",NSRAJHJDVZNWFG,ALMVXPMNSA,N,PE(16:0/14:1(9Z)),NSRAJHJDVZNWFG-ALMVXPMNSA-N
HMDB08922,677.49955528,C36H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C36H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37)45-36(39)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h34H,3-33,37H2,1-2H3,(H,40,41)/t34-/m1/s1",JMDKMIIPLXAHQG,UUWRZZSWSA,N,PE(16:0/15:0),JMDKMIIPLXAHQG-UUWRZZSWSA-N
HMDB08923,691.515205345,C37H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1",SLKDGVPOSSLUAI,PGUFJCEWSA,N,PE(16:0/16:0),SLKDGVPOSSLUAI-PGUFJCEWSA-N
HMDB08924,689.49955528,C37H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34,38H2,1-2H3,(H,41,42)/b16-14-/t35-/m1/s1",CZOSTDZGCCEZTJ,WMHOIYFHSA,N,PE(16:0/16:1(9Z)),CZOSTDZGCCEZTJ-WMHOIYFHSA-N
HMDB08925,719.546505474,C39H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1",RPJZYOHZALDGKI,DIPNUNPCSA,N,PE(16:0/18:0),RPJZYOHZALDGKI-DIPNUNPCSA-N
HMDB08926,717.530855409,C39H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37H,3-12,14,16-36,40H2,1-2H3,(H,43,44)/b15-13-/t37-/m1/s1",LYJWNHGFGVVCAO,IEHWZJNJSA,N,PE(16:0/18:1(11Z)),LYJWNHGFGVVCAO-IEHWZJNJSA-N
HMDB08927,717.530855409,C39H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1",FHQVHHIBKUMWTI,OTMQOFQLSA,N,PE(16:0/18:1(9Z)),FHQVHHIBKUMWTI-OTMQOFQLSA-N
HMDB08928,715.515204861,C39H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",HBZNVZIRJWODIB,NHCUFCNUSA,N,"PE(16:0/18:2(9Z,12Z))",HBZNVZIRJWODIB-NHCUFCNUSA-N
HMDB08929,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37H,3-10,12,14-16,19-21,23,25-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-,24-22-/t37-/m1/s1",LDZPTHJGVVQFQZ,QKHBFQRPSA,N,"PE(16:0/18:3(6Z,9Z,12Z))",LDZPTHJGVVQFQZ-QKHBFQRPSA-N
HMDB08930,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37H,3-4,6,8-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,18-17-/t37-/m1/s1",QONZHKTZKTUIMU,WSQRTPJYSA,N,"PE(16:0/18:3(9Z,12Z,15Z))",QONZHKTZKTUIMU-WSQRTPJYSA-N
HMDB08931,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,22,24,37H,3-4,6,8-10,12,14-16,19-21,23,25-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,18-17-,24-22-/t37-/m1/s1",VEDXGCJMLWGROU,RBVMJMICSA,N,"PE(16:0/18:4(6Z,9Z,12Z,15Z))",VEDXGCJMLWGROU-RBVMJMICSA-N
HMDB08932,747.577805117,C41H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1",ZFCOGJGXPSVFIM,LDLOPFEMSA,N,PE(16:0/20:0),ZFCOGJGXPSVFIM-LDLOPFEMSA-N
HMDB08933,745.562155053,C41H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,39H,3-16,19-38,42H2,1-2H3,(H,45,46)/b18-17-/t39-/m1/s1",CCIRMRKPMPEIFZ,WUOYJZDRSA,N,PE(16:0/20:1(11Z)),CCIRMRKPMPEIFZ-WUOYJZDRSA-N
HMDB08934,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,39H,3-10,12,14-16,19-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-/t39-/m1/s1",UDBXKKKIEXMSEA,XKKGNKCGSA,N,"PE(16:0/20:2(11Z,14Z))",UDBXKKKIEXMSEA-XKKGNKCGSA-N
HMDB08935,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,26,28,39H,3-16,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b18-17-,22-20-,28-26-/t39-/m1/s1",RJWWKQFULAKKGJ,JIYOJZDXSA,N,"PE(16:0/20:3(5Z,8Z,11Z))",RJWWKQFULAKKGJ-JIYOJZDXSA-N
HMDB08936,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,39H,3-10,12,14-16,19,21,23-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-,22-20-/t39-/m1/s1",LMWFNZUKABEGHS,CISNCOODSA,N,"PE(16:0/20:3(8Z,11Z,14Z))",LMWFNZUKABEGHS-CISNCOODSA-N
HMDB08937,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,39H,3-10,12,14-16,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-,22-20-,28-26-/t39-/m1/s1",DRIVXEVMDWCWLI,CAQMIEAISA,N,"PE(16:0/20:4(5Z,8Z,11Z,14Z))",DRIVXEVMDWCWLI-CAQMIEAISA-N
HMDB08938,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,39H,3-4,6,8-10,12,14-16,19,21,23-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-,22-20-/t39-/m1/s1",NQIMLWFRWGTTOZ,JGGKAAGMSA,N,"PE(16:0/20:4(8Z,11Z,14Z,17Z))",NQIMLWFRWGTTOZ-JGGKAAGMSA-N
HMDB08939,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,39H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-,22-20-,28-26-/t39-/m1/s1",KHLRCNXJXSYNCK,ZIEHFRHMSA,N,"PE(16:0/20:5(5Z,8Z,11Z,14Z,17Z))",KHLRCNXJXSYNCK-ZIEHFRHMSA-N
HMDB08940,775.609105245,C43H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1",WUOUBQYGDGGIKB,VQJSHJPSSA,N,PE(16:0/22:0),WUOUBQYGDGGIKB-VQJSHJPSSA-N
HMDB08941,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,41H,3-16,19-40,44H2,1-2H3,(H,47,48)/b18-17-/t41-/m1/s1",XMJSNHMFTISTET,AFASEBMKSA,N,PE(16:0/22:1(13Z)),XMJSNHMFTISTET-AFASEBMKSA-N
HMDB08942,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,41H,3-10,12,14-16,19-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-/t41-/m1/s1",OONVIPGPMOPRTM,PYPPRJKTSA,N,"PE(16:0/22:2(13Z,16Z))",OONVIPGPMOPRTM-PYPPRJKTSA-N
HMDB08943,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,41H,3-10,12,14-16,19,22-23,25,27-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-,21-20-,26-24-/t41-/m1/s1",SQGZFCFLUVPOSZ,IVQYLSTHSA,N,"PE(16:0/22:4(7Z,10Z,13Z,16Z))",SQGZFCFLUVPOSZ-IVQYLSTHSA-N
HMDB08944,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,41H,3-10,12,14-16,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-,21-20-,26-24-,32-30-/t41-/m1/s1",VFGMWCSZLGEBAJ,OYUCTCCDSA,N,"PE(16:0/22:5(4Z,7Z,10Z,13Z,16Z))",VFGMWCSZLGEBAJ-OYUCTCCDSA-N
HMDB08945,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,41H,3-4,6,8-10,12,14-16,19,22-23,25,27-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-,21-20-,26-24-/t41-/m1/s1",BXSFSSDQHFBPDQ,HSCCQJOQSA,N,"PE(16:0/22:5(7Z,10Z,13Z,16Z,19Z))",BXSFSSDQHFBPDQ-HSCCQJOQSA-N
HMDB08946,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,41H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t41-/m1/s1",MPWUZHVZZKSTPV,MADBQMNMSA,N,"PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MPWUZHVZZKSTPV-MADBQMNMSA-N
HMDB08947,803.640405373,C45H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1",FFXFXJGKVGQLGE,VZUYHUTRSA,N,PE(16:0/24:0),FFXFXJGKVGQLGE-VZUYHUTRSA-N
HMDB08948,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,43H,3-16,19-42,46H2,1-2H3,(H,49,50)/b18-17-/t43-/m1/s1",FEDOHUHXASGLDE,YMELWFSDSA,N,PE(16:0/24:1(15Z)),FEDOHUHXASGLDE-YMELWFSDSA-N
HMDB08949,675.520290239,C37H74NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1",SSSSHIRACDQFCW,PXOIRPRXSA,N,PE(16:0/P-16:0),SSSSHIRACDQFCW-PXOIRPRXSA-N
HMDB08950,703.551590367,C39H78NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1",VKEDFSQYSFZDEH,WBXWDXDJSA,N,PE(16:0/P-18:0),VKEDFSQYSFZDEH-WBXWDXDJSA-N
HMDB08951,701.535940303,C39H76NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,31,34,38H,3-12,14,16-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,34-31-/t38-/m1/s1",LAFTYABRLNPQHQ,NHGOJEJISA,N,PE(16:0/P-18:1(11Z)),LAFTYABRLNPQHQ-NHGOJEJISA-N
HMDB08952,701.535940303,C39H76NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,31,34,38H,3-16,19-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b18-17-,34-31-/t38-/m1/s1",FCPBFHHIKXPHHN,CSTBBDSDSA,N,PE(16:0/P-18:1(9Z)),FCPBFHHIKXPHHN-CSTBBDSDSA-N
HMDB08953,661.468255152,C35H68NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h13,15,33H,3-12,14,16-32,36H2,1-2H3,(H,39,40)/b15-13-/t33-/m1/s1",ADLQHCPAMORLQC,AVKQKRQHSA,N,PE(16:1(9Z)/14:0),ADLQHCPAMORLQC-AVKQKRQHSA-N
HMDB08954,659.452604605,C35H66NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C35H66NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12-13,15,33H,3-9,11,14,16-32,36H2,1-2H3,(H,39,40)/b12-10-,15-13-/t33-/m1/s1",JGWOSDGVDXLUHY,HMDBOOPKSA,N,PE(16:1(9Z)/14:1(9Z)),JGWOSDGVDXLUHY-HMDBOOPKSA-N
HMDB08955,675.483905216,C36H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C36H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37)45-36(39)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,34H,3-12,14,16-33,37H2,1-2H3,(H,40,41)/b15-13-/t34-/m1/s1",UOVVXDTWPXFSDP,NOLSVFIGSA,N,PE(16:1(9Z)/15:0),UOVVXDTWPXFSDP-NOLSVFIGSA-N
HMDB08956,689.49955528,C37H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34,38H2,1-2H3,(H,41,42)/b15-13-/t35-/m1/s1",QHNWICFFSBJICC,JUOLSMOWSA,N,PE(16:1(9Z)/16:0),QHNWICFFSBJICC-JUOLSMOWSA-N
HMDB08957,687.483905216,C37H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35H,3-12,17-34,38H2,1-2H3,(H,41,42)/b15-13-,16-14-/t35-/m1/s1",PGPMCWZMPPZJML,NAFNZUQFSA,N,PE(16:1(9Z)/16:1(9Z)),PGPMCWZMPPZJML-NAFNZUQFSA-N
HMDB08958,717.530855409,C39H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,37H,3-13,15,17-36,40H2,1-2H3,(H,43,44)/b16-14-/t37-/m1/s1",LUTADWBBHJXPTH,UHGNNPBBSA,N,PE(16:1(9Z)/18:0),LUTADWBBHJXPTH-UHGNNPBBSA-N
HMDB08959,715.515205345,C39H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,37H,3-12,17-36,40H2,1-2H3,(H,43,44)/b15-13-,16-14-/t37-/m1/s1",QVUWNEQTPVMHQT,RLSIPVDZSA,N,PE(16:1(9Z)/18:1(11Z)),QVUWNEQTPVMHQT-RLSIPVDZSA-N
HMDB08960,715.515205345,C39H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,37H,3-13,15,19-36,40H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m1/s1",RAMNOXDFBNFSFC,AVWHJSSGSA,N,PE(16:1(9Z)/18:1(9Z)),RAMNOXDFBNFSFC-AVWHJSSGSA-N
HMDB08961,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37H,3-10,12,15,19-36,40H2,1-2H3,(H,43,44)/b13-11-,16-14-,18-17-/t37-/m1/s1",SSRRIJSEUKHYFB,DFCPKGTFSA,N,"PE(16:1(9Z)/18:2(9Z,12Z))",SSRRIJSEUKHYFB-DFCPKGTFSA-N
HMDB08962,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,22,24,37H,3-10,12,15,19-21,23,25-36,40H2,1-2H3,(H,43,44)/b13-11-,16-14-,18-17-,24-22-/t37-/m1/s1",CRCZSKWCCXJFQN,GNQAMOAJSA,N,"PE(16:1(9Z)/18:3(6Z,9Z,12Z))",CRCZSKWCCXJFQN-GNQAMOAJSA-N
HMDB08963,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,37H,3-4,6,8-10,12,15,19-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-14-,18-17-/t37-/m1/s1",BMBUWKNHXZNMFT,BVEGXQDJSA,N,"PE(16:1(9Z)/18:3(9Z,12Z,15Z))",BMBUWKNHXZNMFT-BVEGXQDJSA-N
HMDB08964,709.468254669,C39H68NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,22,24,37H,3-4,6,8-10,12,15,19-21,23,25-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-14-,18-17-,24-22-/t37-/m1/s1",QMXVWGJDDOUIQP,CPWDNXNBSA,N,"PE(16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",QMXVWGJDDOUIQP-CPWDNXNBSA-N
HMDB08965,745.562155053,C41H80NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16,39H,3-13,15,17-38,42H2,1-2H3,(H,45,46)/b16-14-/t39-/m1/s1",DWDUPRRUGYDGQF,QRMPNUHKSA,N,PE(16:1(9Z)/20:0),DWDUPRRUGYDGQF-QRMPNUHKSA-N
HMDB08966,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16-18,39H,3-13,15,19-38,42H2,1-2H3,(H,45,46)/b16-14-,18-17-/t39-/m1/s1",RPYIJSOTHVJLOR,HNNDRFCVSA,N,PE(16:1(9Z)/20:1(11Z)),RPYIJSOTHVJLOR-HNNDRFCVSA-N
HMDB08967,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,39H,3-10,12,15,19-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-/t39-/m1/s1",FRZXKSQGAKPAPK,XKDWLADFSA,N,"PE(16:1(9Z)/20:2(11Z,14Z))",FRZXKSQGAKPAPK-XKDWLADFSA-N
HMDB08968,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16-18,20,22,26,28,39H,3-13,15,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b16-14-,18-17-,22-20-,28-26-/t39-/m1/s1",ACCKUVIGBCFDJR,VGWQDUHJSA,N,"PE(16:1(9Z)/20:3(5Z,8Z,11Z))",ACCKUVIGBCFDJR-VGWQDUHJSA-N
HMDB08969,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,41H,3-10,12,15,19,22-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,21-20-/t41-/m1/s1",JQKIMGMIMCFLFR,IEECDEBMSA,N,"PE(16:1(9Z)/20:3(8Z,11Z,14Z))",JQKIMGMIMCFLFR-IEECDEBMSA-N
HMDB08970,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,26,28,39H,3-10,12,15,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,22-20-,28-26-/t39-/m1/s1",SRMGFLRYVIOGEG,ZHOJSJNFSA,N,"PE(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",SRMGFLRYVIOGEG-ZHOJSJNFSA-N
HMDB08971,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,39H,3-4,6,8-10,12,15,19,21,23-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-,22-20-/t39-/m1/s1",CXGZFWPMXPAZEA,PLSDOBAZSA,N,"PE(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",CXGZFWPMXPAZEA-PLSDOBAZSA-N
HMDB08972,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,26,28,39H,3-4,6,8-10,12,15,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-,22-20-,28-26-/t39-/m1/s1",LEBOQMHVVYOZDX,AFHBIVKPSA,N,"PE(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LEBOQMHVVYOZDX-AFHBIVKPSA-N
HMDB08973,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h14,16,41H,3-13,15,17-40,44H2,1-2H3,(H,47,48)/b16-14-/t41-/m1/s1",XUUQFFVLEYTYES,MITQYPHISA,N,PE(16:1(9Z)/22:0),XUUQFFVLEYTYES-MITQYPHISA-N
HMDB08974,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h14,16-18,41H,3-13,15,19-40,44H2,1-2H3,(H,47,48)/b16-14-,18-17-/t41-/m1/s1",SMHQICHVYVREKX,CCUJVRBKSA,N,PE(16:1(9Z)/22:1(13Z)),SMHQICHVYVREKX-CCUJVRBKSA-N
HMDB08975,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,41H,3-10,12,15,19-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-/t41-/m1/s1",FHAATDMZDZZQNU,JKJMWZRXSA,N,"PE(16:1(9Z)/22:2(13Z,16Z))",FHAATDMZDZZQNU-JKJMWZRXSA-N
HMDB08976,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,41H,3-10,12,15,19,22-23,25,27-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,21-20-,26-24-/t41-/m1/s1",RPHOMZKEMREJMO,FUFXABRCSA,N,"PE(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",RPHOMZKEMREJMO-FUFXABRCSA-N
HMDB08977,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,30,32,41H,3-10,12,15,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t41-/m1/s1",CGGKIILOLKTYHS,LJGQSTEHSA,N,"PE(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CGGKIILOLKTYHS-LJGQSTEHSA-N
HMDB08978,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,41H,3-4,6,8-10,12,15,19,22-23,25,27-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-/t41-/m1/s1",VHHWPJFJXPSEDR,DWSJJDFISA,N,"PE(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VHHWPJFJXPSEDR-DWSJJDFISA-N
HMDB08979,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,30,32,41H,3-4,6,8-10,12,15,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t41-/m1/s1",PMUXXFUNXMXIFC,OOPCQFHCSA,N,"PE(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PMUXXFUNXMXIFC-OOPCQFHCSA-N
HMDB08980,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1",VQURVMHNPIQXAP,LKEIBTGGSA,N,PE(16:1(9Z)/24:0),VQURVMHNPIQXAP-LKEIBTGGSA-N
HMDB08981,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h14,16-18,43H,3-13,15,19-42,46H2,1-2H3,(H,49,50)/b16-14-,18-17-/t43-/m1/s1",KZIKPCVUZHFFSD,YPNROAEISA,N,PE(16:1(9Z)/24:1(15Z)),KZIKPCVUZHFFSD-YPNROAEISA-N
HMDB08982,673.504640175,C37H72NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,29,32,36H,3-13,15,17-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b16-14-,32-29-/t36-/m1/s1",VNAHWIQCBOQKAJ,LSHIAAAISA,N,PE(16:1(9Z)/P-16:0),VNAHWIQCBOQKAJ-LSHIAAAISA-N
HMDB08983,701.535940303,C39H76NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16,31,34,38H,3-13,15,17-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b16-14-,34-31-/t38-/m1/s1",MGQJVOAOVWSVRA,KHOLRTNESA,N,PE(16:1(9Z)/P-18:0),MGQJVOAOVWSVRA-KHOLRTNESA-N
HMDB08984,699.520290239,C39H74NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13-16,31,34,38H,3-12,17-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,16-14-,34-31-/t38-/m1/s1",JMGFSDKKQCFELC,KTHSIHKKSA,N,PE(16:1(9Z)/P-18:1(11Z)),JMGFSDKKQCFELC-KTHSIHKKSA-N
HMDB08985,699.520290239,C39H74NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16-18,31,34,38H,3-13,15,19-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b16-14-,18-17-,34-31-/t38-/m1/s1",KVMOASQARMCFEX,OBEJFMRTSA,N,PE(16:1(9Z)/P-18:1(9Z)),KVMOASQARMCFEX-OBEJFMRTSA-N
HMDB08986,691.515205345,C37H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1",RFJQNULIDFTTLL,PGUFJCEWSA,N,PE(18:0/14:0),RFJQNULIDFTTLL-PGUFJCEWSA-N
HMDB08987,689.499554797,C37H72NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,35H,3-9,11,13-34,38H2,1-2H3,(H,41,42)/b12-10-/t35-/m1/s1",XOIOXNRWNRHGSK,YPZHICNLSA,N,PE(18:0/14:1(9Z)),XOIOXNRWNRHGSK-YPZHICNLSA-N
HMDB08988,705.530854925,C38H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h36H,3-35,39H2,1-2H3,(H,42,43)/t36-/m1/s1",CBJZKZNOFISZSC,PSXMRANNSA,N,PE(18:0/15:0),CBJZKZNOFISZSC-PSXMRANNSA-N
HMDB08989,719.546505474,C39H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1",JRTZGTYHEHCHTM,DIPNUNPCSA,N,PE(18:0/16:0),JRTZGTYHEHCHTM-DIPNUNPCSA-N
HMDB08990,717.530855409,C39H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,37H,3-13,15,17-36,40H2,1-2H3,(H,43,44)/b16-14-/t37-/m1/s1",XQWOAWVAWAXMKM,UHGNNPBBSA,N,PE(18:0/16:1(9Z)),XQWOAWVAWAXMKM-UHGNNPBBSA-N
HMDB08991,747.577805602,C41H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1",LVNGJLRDBYCPGB,LDLOPFEMSA,N,PE(18:0/18:0),LVNGJLRDBYCPGB-LDLOPFEMSA-N
HMDB08992,745.562155053,C41H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,39H,3-13,15,17-38,42H2,1-2H3,(H,45,46)/b16-14-/t39-/m1/s1",ZBKSDVGXOOCETO,QRMPNUHKSA,N,PE(18:0/18:1(11Z)),ZBKSDVGXOOCETO-QRMPNUHKSA-N
HMDB08993,745.562155538,C41H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m1/s1",JQKOHRZNEOQNJE,DJEJVYNPSA,N,PE(18:0/18:1(9Z)),JQKOHRZNEOQNJE-DJEJVYNPSA-N
HMDB08994,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,39H,3-11,13,15-17,19,21-38,42H2,1-2H3,(H,45,46)/b14-12-,20-18-/t39-/m1/s1",YDTWOEYVDRKKCR,KNERPIHHSA,N,"PE(18:0/18:2(9Z,12Z))",YDTWOEYVDRKKCR-KNERPIHHSA-N
HMDB08995,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,39H,3-11,13,15-17,19,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b14-12-,20-18-,26-24-/t39-/m1/s1",QTRPWCPOCGJHHW,QEVGDWJSSA,N,"PE(18:0/18:3(6Z,9Z,12Z))",QTRPWCPOCGJHHW-QEVGDWJSSA-N
HMDB08996,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,39H,3-5,7,9-11,13,15-17,19,21-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,20-18-/t39-/m1/s1",DCPDPBCUPLKQNQ,HPSODUDCSA,N,"PE(18:0/18:3(9Z,12Z,15Z))",DCPDPBCUPLKQNQ-HPSODUDCSA-N
HMDB08997,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,39H,3-5,7,9-11,13,15-17,19,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,20-18-,26-24-/t39-/m1/s1",KZLUVTCXBFEIFJ,XGLJQOENSA,N,"PE(18:0/18:4(6Z,9Z,12Z,15Z))",KZLUVTCXBFEIFJ-XGLJQOENSA-N
HMDB08998,775.609105731,C43H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1",TZINTCMFTOUPSN,VQJSHJPSSA,N,PE(18:0/20:0),TZINTCMFTOUPSN-VQJSHJPSSA-N
HMDB08999,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,41H,3-16,18,20-40,44H2,1-2H3,(H,47,48)/b19-17-/t41-/m1/s1",DBYSGBYABPVNGO,HVLKLTLRSA,N,PE(18:0/20:1(11Z)),DBYSGBYABPVNGO-HVLKLTLRSA-N
HMDB09000,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,41H,3-10,12,14-16,18,20-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-/t41-/m1/s1",WYDGEVICLIVPEG,JMMITYAOSA,N,"PE(18:0/20:2(11Z,14Z))",WYDGEVICLIVPEG-JMMITYAOSA-N
HMDB09001,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,41H,3-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b19-17-,24-22-,30-28-/t41-/m1/s1",ZXGWUCRPMYBWGO,MICLNOPWSA,N,"PE(18:0/20:3(5Z,8Z,11Z))",ZXGWUCRPMYBWGO-MICLNOPWSA-N
HMDB09002,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,41H,3-10,12,14-16,18,20-21,23,25-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,24-22-/t41-/m1/s1",XJPVAWWHABLYPE,KPRICRNFSA,N,"PE(18:0/20:3(8Z,11Z,14Z))",XJPVAWWHABLYPE-KPRICRNFSA-N
HMDB09003,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41H,3-10,12,14-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,24-22-,30-28-/t41-/m1/s1",ANRKEHNWXKCXDB,BHFWLYLHSA,N,"PE(18:0/20:4(5Z,8Z,11Z,14Z))",ANRKEHNWXKCXDB-BHFWLYLHSA-N
HMDB09004,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,41H,3-4,6,8-10,12,14-16,18,20-21,23,25-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,24-22-/t41-/m1/s1",YEHAZLUVAZKVRO,PDWSRYNESA,N,"PE(18:0/20:4(8Z,11Z,14Z,17Z))",YEHAZLUVAZKVRO-PDWSRYNESA-N
HMDB09005,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,41H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,24-22-,30-28-/t41-/m1/s1",MOJMRZJNAPRFBD,NGHJRSEQSA,N,"PE(18:0/20:5(5Z,8Z,11Z,14Z,17Z))",MOJMRZJNAPRFBD-NGHJRSEQSA-N
HMDB09006,803.640405373,C45H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1",SBFXSLRWWDOXBJ,VZUYHUTRSA,N,PE(18:0/22:0),SBFXSLRWWDOXBJ-VZUYHUTRSA-N
HMDB09007,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-/t43-/m1/s1",KVCSFWAPYZJNRB,RPBJOJELSA,N,PE(18:0/22:1(13Z)),KVCSFWAPYZJNRB-RPBJOJELSA-N
HMDB09008,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,43H,3-10,12,14-16,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-/t43-/m1/s1",JQVOEQRCENYJCX,MTFJKWJPSA,N,"PE(18:0/22:2(13Z,16Z))",JQVOEQRCENYJCX-MTFJKWJPSA-N
HMDB09009,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,43H,3-10,12,14-16,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,28-26-/t43-/m1/s1",HNFSZKRUPTYBOQ,ZDYOIFAYSA,N,"PE(18:0/22:4(7Z,10Z,13Z,16Z))",HNFSZKRUPTYBOQ-ZDYOIFAYSA-N
HMDB09010,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,43H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1",DPRXQVIZBLENFV,NPQRSGSQSA,N,"PE(18:0/22:5(4Z,7Z,10Z,13Z,16Z))",DPRXQVIZBLENFV-NPQRSGSQSA-N
HMDB09011,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,28-26-/t43-/m1/s1",KYERVKWKQQBRQB,LKDUQXRXSA,N,"PE(18:0/22:5(7Z,10Z,13Z,16Z,19Z))",KYERVKWKQQBRQB-LKDUQXRXSA-N
HMDB09012,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1",XYYHNDVKALDFHQ,OXHZBIAZSA,N,"PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XYYHNDVKALDFHQ-OXHZBIAZSA-N
HMDB09013,831.671705501,C47H94NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H94NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h45H,3-44,48H2,1-2H3,(H,51,52)/t45-/m1/s1",QNBVZKHDAGOZNY,WBVITSLISA,N,PE(18:0/24:0),QNBVZKHDAGOZNY-WBVITSLISA-N
HMDB09014,829.656055437,C47H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,45H,3-16,18,20-44,48H2,1-2H3,(H,51,52)/b19-17-/t45-/m1/s1",UQKVVLICVTWZST,XMGJQEBSSA,N,PE(18:0/24:1(15Z)),UQKVVLICVTWZST-XMGJQEBSSA-N
HMDB09015,703.551590367,C39H78NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1",YUQKKCLQLSQTEV,WBXWDXDJSA,N,PE(18:0/P-16:0),YUQKKCLQLSQTEV-WBXWDXDJSA-N
HMDB09016,731.582890495,C41H82NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C41H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36,40H,3-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b36-33-/t40-/m1/s1",DHNHAOFOINVPBS,DZGZMTAISA,N,PE(18:0/P-18:0),DHNHAOFOINVPBS-DZGZMTAISA-N
HMDB09017,729.567240431,C41H80NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33,36,40H,3-12,14,16-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,36-33-/t40-/m1/s1",XJRBLUARQNXNQS,CSASKLPHSA,N,PE(18:0/P-18:1(11Z)),XJRBLUARQNXNQS-CSASKLPHSA-N
HMDB09018,729.567240431,C41H80NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,33,36,40H,3-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,36-33-/t40-/m1/s1",ZTGVBXDPMCYOEV,KHFVPPDWSA,N,PE(18:0/P-18:1(9Z)),ZTGVBXDPMCYOEV-KHFVPPDWSA-N
HMDB09019,689.49955528,C37H72NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34,38H2,1-2H3,(H,41,42)/b15-13-/t35-/m1/s1",ONLSYXWRWGUPKV,JUOLSMOWSA,N,PE(18:1(11Z)/14:0),ONLSYXWRWGUPKV-JUOLSMOWSA-N
HMDB09020,687.483904733,C37H70NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12-13,15,35H,3-9,11,14,16-34,38H2,1-2H3,(H,41,42)/b12-10-,15-13-/t35-/m1/s1",ZFYPAFIPVJFFPE,GWOLXUBNSA,N,PE(18:1(11Z)/14:1(9Z)),ZFYPAFIPVJFFPE-GWOLXUBNSA-N
HMDB09021,703.515204861,C38H74NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h13,15,36H,3-12,14,16-35,39H2,1-2H3,(H,42,43)/b15-13-/t36-/m1/s1",DFMWBYDYXGYKTJ,MRDDHZETSA,N,PE(18:1(11Z)/15:0),DFMWBYDYXGYKTJ-MRDDHZETSA-N
HMDB09022,717.530855409,C39H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,37H,3-12,14,16-36,40H2,1-2H3,(H,43,44)/b15-13-/t37-/m1/s1",BGGKMIPCFKMSNW,IEHWZJNJSA,N,PE(18:1(11Z)/16:0),BGGKMIPCFKMSNW-IEHWZJNJSA-N
HMDB09023,715.515205345,C39H74NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13-16,37H,3-12,17-36,40H2,1-2H3,(H,43,44)/b15-13-,16-14-/t37-/m1/s1",SPKIMNVTCJNMOI,RLSIPVDZSA,N,PE(18:1(11Z)/16:1(9Z)),SPKIMNVTCJNMOI-RLSIPVDZSA-N
HMDB09024,745.562155053,C41H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,39H,3-12,14,16-38,42H2,1-2H3,(H,45,46)/b15-13-/t39-/m1/s1",MKMUWJJSVUOCQC,DTKYWWSASA,N,PE(18:1(11Z)/18:0),MKMUWJJSVUOCQC-DTKYWWSASA-N
HMDB09025,743.546505474,C41H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39H,3-12,17-38,42H2,1-2H3,(H,45,46)/b15-13-,16-14-/t39-/m1/s1",FXSMMNUNFDTUMS,NCDRPEBGSA,N,PE(18:1(11Z)/18:1(11Z)),FXSMMNUNFDTUMS-NCDRPEBGSA-N
HMDB09026,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,39H,3-12,14,16-17,19,21-38,42H2,1-2H3,(H,45,46)/b15-13-,20-18-/t39-/m1/s1",VHHMKXOBDPAFKC,HWQBUQMOSA,N,PE(18:1(11Z)/18:1(9Z)),VHHMKXOBDPAFKC-HWQBUQMOSA-N
HMDB09027,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,39H,3-11,16-17,19,21-38,42H2,1-2H3,(H,45,46)/b14-12-,15-13-,20-18-/t39-/m1/s1",SUGLKZVXTGKYMP,AVRWMSRUSA,N,"PE(18:1(11Z)/18:2(9Z,12Z))",SUGLKZVXTGKYMP-AVRWMSRUSA-N
HMDB09028,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,39H,3-11,16-17,19,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b14-12-,15-13-,20-18-,26-24-/t39-/m1/s1",UNJQGAOKMBBKFR,AHXXNZDQSA,N,"PE(18:1(11Z)/18:3(6Z,9Z,12Z))",UNJQGAOKMBBKFR-AHXXNZDQSA-N
HMDB09029,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,39H,3-5,7,9-11,16-17,19,21-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,15-13-,20-18-/t39-/m1/s1",DYPPICYABYUFLB,PUSFBCPASA,N,"PE(18:1(11Z)/18:3(9Z,12Z,15Z))",DYPPICYABYUFLB-PUSFBCPASA-N
HMDB09030,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,24,26,39H,3-5,7,9-11,16-17,19,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,15-13-,20-18-,26-24-/t39-/m1/s1",BWSWZNBCPYNKSO,ILCBTLEKSA,N,"PE(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",BWSWZNBCPYNKSO-ILCBTLEKSA-N
HMDB09031,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,41H,3-13,15,17-40,44H2,1-2H3,(H,47,48)/b16-14-/t41-/m1/s1",HPHYBSPOEJMPAN,MITQYPHISA,N,PE(18:1(11Z)/20:0),HPHYBSPOEJMPAN-MITQYPHISA-N
HMDB09032,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,41H,3-13,15,18,20-40,44H2,1-2H3,(H,47,48)/b16-14-,19-17-/t41-/m1/s1",UKRAYYYOKQQQKZ,GMUXBFKVSA,N,PE(18:1(11Z)/20:1(11Z)),UKRAYYYOKQQQKZ-GMUXBFKVSA-N
HMDB09033,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,41H,3-10,12,15,18,20-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-/t41-/m1/s1",WAHQTCICRLGPEH,JMJSTCSESA,N,"PE(18:1(11Z)/20:2(11Z,14Z))",WAHQTCICRLGPEH-JMJSTCSESA-N
HMDB09034,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,41H,3-13,15,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b16-14-,19-17-,24-22-,30-28-/t41-/m1/s1",HBFLSLPWIYZXSD,MRGKWKLGSA,N,"PE(18:1(11Z)/20:3(5Z,8Z,11Z))",HBFLSLPWIYZXSD-MRGKWKLGSA-N
HMDB09035,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,41H,3-10,12,15,18,20-21,23,25-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-,24-22-/t41-/m1/s1",CEEXFPAPVYIDPW,GKKNSTMJSA,N,"PE(18:1(11Z)/20:3(8Z,11Z,14Z))",CEEXFPAPVYIDPW-GKKNSTMJSA-N
HMDB09036,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,41H,3-10,12,15,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-,24-22-,30-28-/t41-/m1/s1",LJIFHMULTXIFNU,KAMIUYGRSA,N,"PE(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",LJIFHMULTXIFNU-KAMIUYGRSA-N
HMDB09037,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,41H,3-4,6,8-10,12,15,18,20-21,23,25-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,19-17-,24-22-/t41-/m1/s1",MFPOOPOMQXUMBS,RWMKFOTHSA,N,"PE(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",MFPOOPOMQXUMBS-RWMKFOTHSA-N
HMDB09038,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,41H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-/t41-/m1/s1",BAGSXXSEDGUGEW,GFSMOMPXSA,N,"PE(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BAGSXXSEDGUGEW-GFSMOMPXSA-N
HMDB09039,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1",JGMWJJBIUSDLBE,LKEIBTGGSA,N,PE(18:1(11Z)/22:0),JGMWJJBIUSDLBE-LKEIBTGGSA-N
HMDB09040,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16-17,19,43H,3-13,15,18,20-42,46H2,1-2H3,(H,49,50)/b16-14-,19-17-/t43-/m1/s1",NBIOCJDQTBVFEA,WHGAUIBTSA,N,PE(18:1(11Z)/22:1(13Z)),NBIOCJDQTBVFEA-WHGAUIBTSA-N
HMDB09041,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,43H,3-10,12,15,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-/t43-/m1/s1",CYQKHPZVMRGJPJ,PLUDNLSZSA,N,"PE(18:1(11Z)/22:2(13Z,16Z))",CYQKHPZVMRGJPJ-PLUDNLSZSA-N
HMDB09042,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,43H,3-10,12,15,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,22-21-,28-26-/t43-/m1/s1",OPJHRPGFKUCTOK,PXCLINIVSA,N,"PE(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",OPJHRPGFKUCTOK-PXCLINIVSA-N
HMDB09043,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,32,34,43H,3-10,12,15,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1",PDOYJNBJBMHOCJ,MEUVGUQXSA,N,"PE(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PDOYJNBJBMHOCJ-MEUVGUQXSA-N
HMDB09044,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,43H,3-4,6,8-10,12,15,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-/t43-/m1/s1",AUQRNOWNSNAWBI,LQARPJOMSA,N,"PE(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AUQRNOWNSNAWBI-LQARPJOMSA-N
HMDB09045,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,43H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1",MIEYBHWKRILIAE,JUUZHAOZSA,N,"PE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MIEYBHWKRILIAE-JUUZHAOZSA-N
HMDB09046,829.656055437,C47H92NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16,45H,3-13,15,17-44,48H2,1-2H3,(H,51,52)/b16-14-/t45-/m1/s1",PWDLKFHJZSHBLM,BPBQBXHUSA,N,PE(18:1(11Z)/24:0),PWDLKFHJZSHBLM-BPBQBXHUSA-N
HMDB09047,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,45H,3-13,15,18,20-44,48H2,1-2H3,(H,51,52)/b16-14-,19-17-/t45-/m1/s1",RZJCBAYEPWYFTD,WXXVOXPVSA,N,PE(18:1(11Z)/24:1(15Z)),RZJCBAYEPWYFTD-WXXVOXPVSA-N
HMDB09048,701.535940303,C39H76NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,31,34,38H,3-12,14,16-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,34-31-/t38-/m1/s1",JMLIRBKPVHLZEF,NHGOJEJISA,N,PE(18:1(11Z)/P-16:0),JMLIRBKPVHLZEF-NHGOJEJISA-N
HMDB09049,729.567240431,C41H80NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,33,36,40H,3-13,15,17-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b16-14-,36-33-/t40-/m1/s1",ANRCNDSZUNAAEU,SSTBVQCHSA,N,PE(18:1(11Z)/P-18:0),ANRCNDSZUNAAEU-SSTBVQCHSA-N
HMDB09050,727.551590367,C41H78NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36,40H,3-12,17-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,16-14-,36-33-/t40-/m1/s1",BIYXBOGKCFGRKR,NZWMGPRYSA,N,PE(18:1(11Z)/P-18:1(11Z)),BIYXBOGKCFGRKR-NZWMGPRYSA-N
HMDB09051,727.551590367,C41H78NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,33,36,40H,3-13,15,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b16-14-,19-17-,36-33-/t40-/m1/s1",MTYMMKBRSNPIPR,UJUPZVJJSA,N,PE(18:1(11Z)/P-18:1(9Z)),MTYMMKBRSNPIPR-UJUPZVJJSA-N
HMDB09052,689.49955528,C37H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h16-17,35H,3-15,18-34,38H2,1-2H3,(H,41,42)/b17-16-/t35-/m1/s1",MFWTZMQSTYTELL,XHYHITGYSA,N,PE(18:1(9Z)/14:0),MFWTZMQSTYTELL-XHYHITGYSA-N
HMDB09053,687.483904733,C37H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,16-17,35H,3-9,11,13-15,18-34,38H2,1-2H3,(H,41,42)/b12-10-,17-16-/t35-/m1/s1",RKKYFYMLDOBFPR,VCEJZXRASA,N,PE(18:1(9Z)/14:1(9Z)),RKKYFYMLDOBFPR-VCEJZXRASA-N
HMDB09054,703.515205345,C38H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h17-18,36H,3-16,19-35,39H2,1-2H3,(H,42,43)/b18-17-/t36-/m1/s1",WEFOBQMXZVVPCJ,UVCQAILXSA,N,PE(18:1(9Z)/15:0),WEFOBQMXZVVPCJ-UVCQAILXSA-N
HMDB09055,717.530855409,C39H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1",DVXMEPWDARXHCX,OTMQOFQLSA,N,PE(18:1(9Z)/16:0),DVXMEPWDARXHCX-OTMQOFQLSA-N
HMDB09056,715.515205345,C39H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37H,3-13,15,19-36,40H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m1/s1",UIELPOKGTOHFNL,AVWHJSSGSA,N,PE(18:1(9Z)/16:1(9Z)),UIELPOKGTOHFNL-AVWHJSSGSA-N
HMDB09057,745.562155538,C41H80NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,39H,3-16,18,20-38,42H2,1-2H3,(H,45,46)/b19-17-/t39-/m1/s1",LICSIKXBSOVGBP,VEAYGOGPSA,N,PE(18:1(9Z)/18:0),LICSIKXBSOVGBP-VEAYGOGPSA-N
HMDB09058,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,39H,3-13,15,18,20-38,42H2,1-2H3,(H,45,46)/b16-14-,19-17-/t39-/m1/s1",ZTSRQLQWGSDQGP,RTJYTIBZSA,N,PE(18:1(9Z)/18:1(11Z)),ZTSRQLQWGSDQGP-RTJYTIBZSA-N
HMDB09059,743.546505474,C41H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1",MWRBNPKJOOWZPW,NYVOMTAGSA,N,PE(18:1(9Z)/18:1(9Z)),MWRBNPKJOOWZPW-NYVOMTAGSA-N
HMDB09060,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,39H,3-11,13,15-16,21-38,42H2,1-2H3,(H,45,46)/b14-12-,19-17-,20-18-/t39-/m1/s1",GKAFCSRKMWFPSJ,RJXNKANHSA,N,"PE(18:1(9Z)/18:2(9Z,12Z))",GKAFCSRKMWFPSJ-RJXNKANHSA-N
HMDB09061,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,39H,3-11,13,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b14-12-,19-17-,20-18-,26-24-/t39-/m1/s1",NUDNBLVZKRNECC,HBPDZYQMSA,N,"PE(18:1(9Z)/18:3(6Z,9Z,12Z))",NUDNBLVZKRNECC-HBPDZYQMSA-N
HMDB09062,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,39H,3-5,7,9-11,13,15-16,21-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,19-17-,20-18-/t39-/m1/s1",PCBVVHMKRNVSDR,YJNXUYHJSA,N,"PE(18:1(9Z)/18:3(9Z,12Z,15Z))",PCBVVHMKRNVSDR-YJNXUYHJSA-N
HMDB09063,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,39H,3-5,7,9-11,13,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,19-17-,20-18-,26-24-/t39-/m1/s1",UMXDTECRBMWOSU,GPWDKVOISA,N,"PE(18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",UMXDTECRBMWOSU-GPWDKVOISA-N
HMDB09064,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h18,21,41H,3-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b21-18-/t41-/m1/s1",VOSQJLVNDRUECW,JHWHEROUSA,N,PE(18:1(9Z)/20:0),VOSQJLVNDRUECW-JHWHEROUSA-N
HMDB09065,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,41H,3-16,20,22-40,44H2,1-2H3,(H,47,48)/b19-17-,21-18-/t41-/m1/s1",UITCASPZWUAJBW,HLHBCVTMSA,N,PE(18:1(9Z)/20:1(11Z)),UITCASPZWUAJBW-HLHBCVTMSA-N
HMDB09066,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21,41H,3-10,12,14-16,20,22-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-/t41-/m1/s1",CMHAYOZHFZADHZ,SIZKBEQBSA,N,"PE(18:1(9Z)/20:2(11Z,14Z))",CMHAYOZHFZADHZ-SIZKBEQBSA-N
HMDB09067,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,41H,3-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b19-17-,21-18-,24-22-,30-28-/t41-/m1/s1",MQXKQCUGNLVKIN,CWEZSGEASA,N,"PE(18:1(9Z)/20:3(5Z,8Z,11Z))",MQXKQCUGNLVKIN-CWEZSGEASA-N
HMDB09068,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,41H,3-10,12,14-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,24-22-/t41-/m1/s1",RGWPWGGERDDMEL,LMERDAGQSA,N,"PE(18:1(9Z)/20:3(8Z,11Z,14Z))",RGWPWGGERDDMEL-LMERDAGQSA-N
HMDB09069,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,41H,3-10,12,14-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1",PECSWFQRRFRZPW,BHPGJWMBSA,N,"PE(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",PECSWFQRRFRZPW-BHPGJWMBSA-N
HMDB09070,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,41H,3-4,6,8-10,12,14-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,21-18-,24-22-/t41-/m1/s1",ZYMZKMQPPJPQHY,COHGUQLJSA,N,"PE(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",ZYMZKMQPPJPQHY-COHGUQLJSA-N
HMDB09071,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,28,30,41H,3-4,6,8-10,12,14-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1",AMKOUQLHUASJMB,LKGUXPQCSA,N,"PE(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",AMKOUQLHUASJMB-LKGUXPQCSA-N
HMDB09072,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h18,23,43H,3-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b23-18-/t43-/m1/s1",JEOYLNIOWTUTAE,UPLWMSSDSA,N,PE(18:1(9Z)/22:0),JEOYLNIOWTUTAE-UPLWMSSDSA-N
HMDB09073,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17-19,23,43H,3-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b19-17-,23-18-/t43-/m1/s1",HIGXQDJTUMSNNI,CBNMMGITSA,N,PE(18:1(9Z)/22:1(13Z)),HIGXQDJTUMSNNI-CBNMMGITSA-N
HMDB09074,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,23,43H,3-10,12,14-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,23-18-/t43-/m1/s1",JCOVYOJDJNKLNY,NSEUMGHWSA,N,"PE(18:1(9Z)/22:2(13Z,16Z))",JCOVYOJDJNKLNY-NSEUMGHWSA-N
HMDB09075,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,43H,3-10,12,14-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1",IIWMKSHLSCQARO,DFVLQBLZSA,N,"PE(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",IIWMKSHLSCQARO-DFVLQBLZSA-N
HMDB09076,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,32,34,43H,3-10,12,14-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1",RXUUAZTYMDTFAY,LMJZRCAFSA,N,"PE(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RXUUAZTYMDTFAY-LMJZRCAFSA-N
HMDB09077,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,43H,3-4,6,8-10,12,14-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1",IZEXFAOLFRVCJS,JFOXXFEGSA,N,"PE(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IZEXFAOLFRVCJS-JFOXXFEGSA-N
HMDB09078,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,32,34,43H,3-4,6,8-10,12,14-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1",JZSZAGWWWKKXLO,RMEBTJIYSA,N,"PE(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JZSZAGWWWKKXLO-RMEBTJIYSA-N
HMDB09079,829.656055437,C47H92NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h18,25,45H,3-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b25-18-/t45-/m1/s1",WVNDQGIBKQXPLE,NVUUEHDFSA,N,PE(18:1(9Z)/24:0),WVNDQGIBKQXPLE-NVUUEHDFSA-N
HMDB09080,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17-19,25,45H,3-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b19-17-,25-18-/t45-/m1/s1",NJRLOLMQFJOYGA,MMXIDJDVSA,N,PE(18:1(9Z)/24:1(15Z)),NJRLOLMQFJOYGA-MMXIDJDVSA-N
HMDB09081,701.535940303,C39H76NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,31,34,38H,3-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b19-17-,34-31-/t38-/m1/s1",SMPXBIVJXNXOAL,PRWZWGSOSA,N,PE(18:1(9Z)/P-16:0),SMPXBIVJXNXOAL-PRWZWGSOSA-N
HMDB09082,729.567240431,C41H80NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,36,40H,3-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b20-18-,36-33-/t40-/m1/s1",UJKZLJHORBRGNZ,QZEVRULJSA,N,PE(18:1(9Z)/P-18:0),UJKZLJHORBRGNZ-QZEVRULJSA-N
HMDB09083,727.551590367,C41H78NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,33,36,40H,3-12,14,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,20-18-,36-33-/t40-/m1/s1",DZLWFPKMBZCBNP,LQNIOAHJSA,N,PE(18:1(9Z)/P-18:1(11Z)),DZLWFPKMBZCBNP-LQNIOAHJSA-N
HMDB09084,727.551590367,C41H78NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33,36,40H,3-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,20-18-,36-33-/t40-/m1/s1",ANVMSBIGOHYJFD,UDHSZFGOSA,N,PE(18:1(9Z)/P-18:1(9Z)),ANVMSBIGOHYJFD-UDHSZFGOSA-N
HMDB09085,687.483904733,C37H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h11,13,16-17,35H,3-10,12,14-15,18-34,38H2,1-2H3,(H,41,42)/b13-11-,17-16-/t35-/m1/s1",SQDQUZAJRQWDMA,AOGVJQIJSA,N,"PE(18:2(9Z,12Z)/14:0)",SQDQUZAJRQWDMA-AOGVJQIJSA-N
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HMDB09087,701.499554797,C38H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h11,13,17-18,36H,3-10,12,14-16,19-35,39H2,1-2H3,(H,42,43)/b13-11-,18-17-/t36-/m1/s1",PYJBSHSCZBTUBJ,QYTRANCOSA,N,"PE(18:2(9Z,12Z)/15:0)",PYJBSHSCZBTUBJ-QYTRANCOSA-N
HMDB09088,715.515204861,C39H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",XEPGAKWBGZDKCZ,NHCUFCNUSA,N,"PE(18:2(9Z,12Z)/16:0)",XEPGAKWBGZDKCZ-NHCUFCNUSA-N
HMDB09089,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37H,3-10,12,15,19-36,40H2,1-2H3,(H,43,44)/b13-11-,16-14-,18-17-/t37-/m1/s1",LGHHSOARZMNIGJ,DFCPKGTFSA,N,"PE(18:2(9Z,12Z)/16:1(9Z))",LGHHSOARZMNIGJ-DFCPKGTFSA-N
HMDB09090,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,39H,3-10,12,14-16,18,20-38,42H2,1-2H3,(H,45,46)/b13-11-,19-17-/t39-/m1/s1",DXXUYBAISOHOLM,XRIXOMQFSA,N,"PE(18:2(9Z,12Z)/18:0)",DXXUYBAISOHOLM-XRIXOMQFSA-N
HMDB09091,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,39H,3-10,12,15,18,20-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,19-17-/t39-/m1/s1",ADKNUXINKGBJMY,CPLBAJMFSA,N,"PE(18:2(9Z,12Z)/18:1(11Z))",ADKNUXINKGBJMY-CPLBAJMFSA-N
HMDB09092,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,39H,3-10,12,14-16,21-38,42H2,1-2H3,(H,45,46)/b13-11-,19-17-,20-18-/t39-/m1/s1",DOILLFCKSSPXMF,ZKZIFNJMSA,N,"PE(18:2(9Z,12Z)/18:1(9Z))",DOILLFCKSSPXMF-ZKZIFNJMSA-N
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HMDB09094,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,39H,3-10,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b13-11-,14-12-,19-17-,20-18-,26-24-/t39-/m1/s1",ZKGZYXURTJFGJK,AVNRDTHESA,N,"PE(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",ZKGZYXURTJFGJK-AVNRDTHESA-N
HMDB09095,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,39H,3-5,7,9-10,15-16,21-38,42H2,1-2H3,(H,45,46)/b8-6-,13-11-,14-12-,19-17-,20-18-/t39-/m1/s1",ZOXULAUECYWFFP,PDLBZXEASA,N,"PE(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",ZOXULAUECYWFFP-PDLBZXEASA-N
HMDB09096,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,39H,3-5,7,9-10,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-/m1/s1",MSMKDOPUXDVLLC,NWBNQLOKSA,N,"PE(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",MSMKDOPUXDVLLC-NWBNQLOKSA-N
HMDB09097,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,41H,3-11,13,15-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b14-12-,21-18-/t41-/m1/s1",DPTUTWFSXXDMEO,CNBLIUODSA,N,"PE(18:2(9Z,12Z)/20:0)",DPTUTWFSXXDMEO-CNBLIUODSA-N
HMDB09098,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,41H,3-11,13,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-/t41-/m1/s1",HTGZPJYPNOSQPJ,IHDWCTMISA,N,"PE(18:2(9Z,12Z)/20:1(11Z))",HTGZPJYPNOSQPJ-IHDWCTMISA-N
HMDB09099,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,41H,3-10,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-/t41-/m1/s1",ZVMOCFAAUCJXQU,OOFVPZMUSA,N,"PE(18:2(9Z,12Z)/20:2(11Z,14Z))",ZVMOCFAAUCJXQU-OOFVPZMUSA-N
HMDB09100,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24,28,30,41H,3-11,13,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1",IXWDETUUUCHRRC,JASSPJQVSA,N,"PE(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",IXWDETUUUCHRRC-JASSPJQVSA-N
HMDB09101,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,41H,3-10,15-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,24-22-/t41-/m1/s1",HDZVRBPBPCZCJG,XOSPZYHZSA,N,"PE(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))",HDZVRBPBPCZCJG-XOSPZYHZSA-N
HMDB09102,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,28,30,41H,3-10,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1",LFGBKOUQHCWBQI,BZGLIJSBSA,N,"PE(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",LFGBKOUQHCWBQI-BZGLIJSBSA-N
HMDB09103,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24,41H,3-4,6,8-10,15-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-/t41-/m1/s1",VFHZIDQZQBGNBH,ARMVGAAKSA,N,"PE(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",VFHZIDQZQBGNBH-ARMVGAAKSA-N
HMDB09104,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24,28,30,41H,3-4,6,8-10,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1",AJTJVNKPLZTLHV,RJJHQZCFSA,N,"PE(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",AJTJVNKPLZTLHV-RJJHQZCFSA-N
HMDB09105,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,43H,3-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-/t43-/m1/s1",AWMPXEWRQPAWIZ,JGIACTMPSA,N,"PE(18:2(9Z,12Z)/22:0)",AWMPXEWRQPAWIZ-JGIACTMPSA-N
HMDB09106,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,43H,3-11,13,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-/t43-/m1/s1",DCVKXTKFVGTHLA,KRWKSUKDSA,N,"PE(18:2(9Z,12Z)/22:1(13Z))",DCVKXTKFVGTHLA-KRWKSUKDSA-N
HMDB09107,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,43H,3-10,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,23-18-/t43-/m1/s1",ODKCSLGCTVUPMX,JNUKZNIKSA,N,"PE(18:2(9Z,12Z)/22:2(13Z,16Z))",ODKCSLGCTVUPMX-JNUKZNIKSA-N
HMDB09108,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,43H,3-10,15-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1",FEABWDMFZNBFCT,KUVQHVNNSA,N,"PE(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",FEABWDMFZNBFCT-KUVQHVNNSA-N
HMDB09109,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,32,34,43H,3-10,15-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1",MTDSMOHLVXQHRG,NGSYCXTFSA,N,"PE(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MTDSMOHLVXQHRG-NGSYCXTFSA-N
HMDB09110,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,43H,3-4,6,8-10,15-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1",WMKKKPPOBQRPQF,OGLVJHGVSA,N,"PE(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WMKKKPPOBQRPQF-OGLVJHGVSA-N
HMDB09111,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,32,34,43H,3-4,6,8-10,15-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1",HIZMZVSEIXACMP,JDWCRHTJSA,N,"PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HIZMZVSEIXACMP-JDWCRHTJSA-N
HMDB09112,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,45H,3-11,13,15-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b14-12-,25-18-/t45-/m1/s1",GRDSJJZXEXHMMS,KLGOHHKGSA,N,"PE(18:2(9Z,12Z)/24:0)",GRDSJJZXEXHMMS-KLGOHHKGSA-N
HMDB09113,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,45H,3-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-/t45-/m1/s1",FFMDJRCFHLMZSN,PTCCBAGUSA,N,"PE(18:2(9Z,12Z)/24:1(15Z))",FFMDJRCFHLMZSN-PTCCBAGUSA-N
HMDB09114,699.520290239,C39H74NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,34,38H,3-10,12,14-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b13-11-,19-17-,34-31-/t38-/m1/s1",RWZCDKOWUAMDMA,CCJYEBHUSA,N,"PE(18:2(9Z,12Z)/P-16:0)",RWZCDKOWUAMDMA-CCJYEBHUSA-N
HMDB09115,727.551590367,C41H78NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,33,36,40H,3-11,13,15-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,20-18-,36-33-/t40-/m1/s1",PTTOPPWTEHEDTA,PISDLAQISA,N,"PE(18:2(9Z,12Z)/P-18:0)",PTTOPPWTEHEDTA-PISDLAQISA-N
HMDB09116,725.535940303,C41H76NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,33,36,40H,3-11,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,15-13-,20-18-,36-33-/t40-/m1/s1",BEMSJAOWFQJOQA,LIWWULAASA,N,"PE(18:2(9Z,12Z)/P-18:1(11Z))",BEMSJAOWFQJOQA-LIWWULAASA-N
HMDB09117,725.535940303,C41H76NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,33,36,40H,3-11,13,15-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,19-17-,20-18-,36-33-/t40-/m1/s1",PCRXUPNJCXVABN,MFTBTGPPSA,N,"PE(18:2(9Z,12Z)/P-18:1(9Z))",PCRXUPNJCXVABN-MFTBTGPPSA-N
HMDB09118,685.468254669,C37H68NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h11,13,16-17,20-21,35H,3-10,12,14-15,18-19,22-34,38H2,1-2H3,(H,41,42)/b13-11-,17-16-,21-20-/t35-/m1/s1",AOEZPDXRJPPSMK,NBWIALERSA,N,"PE(18:3(6Z,9Z,12Z)/14:0)",AOEZPDXRJPPSMK-NBWIALERSA-N
HMDB09119,683.452604605,C37H66NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h10-13,16-17,20-21,35H,3-9,14-15,18-19,22-34,38H2,1-2H3,(H,41,42)/b12-10-,13-11-,17-16-,21-20-/t35-/m1/s1",CSZFNWBJXZUOJL,AXZUTULOSA,N,"PE(18:3(6Z,9Z,12Z)/14:1(9Z))",CSZFNWBJXZUOJL-AXZUTULOSA-N
HMDB09120,699.483904733,C38H70NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h11,13,17-18,21-22,36H,3-10,12,14-16,19-20,23-35,39H2,1-2H3,(H,42,43)/b13-11-,18-17-,22-21-/t36-/m1/s1",FGSUWGIBFFVIBU,WXYHDSIISA,N,"PE(18:3(6Z,9Z,12Z)/15:0)",FGSUWGIBFFVIBU-WXYHDSIISA-N
HMDB09121,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,37H,3-10,12,14-16,19-20,22,24-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-,23-21-/t37-/m1/s1",NMJVZNKGBZMDMX,HXXLSKFOSA,N,"PE(18:3(6Z,9Z,12Z)/16:0)",NMJVZNKGBZMDMX-HXXLSKFOSA-N
HMDB09122,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,21,23,37H,3-10,12,15,19-20,22,24-36,40H2,1-2H3,(H,43,44)/b13-11-,16-14-,18-17-,23-21-/t37-/m1/s1",UUDSZBMTMYSASM,YIJAONSRSA,N,"PE(18:3(6Z,9Z,12Z)/16:1(9Z))",UUDSZBMTMYSASM-YIJAONSRSA-N
HMDB09123,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,39H,3-10,12,14-16,18,20-22,24,26-38,42H2,1-2H3,(H,45,46)/b13-11-,19-17-,25-23-/t39-/m1/s1",HVDYTORIBLUETE,AFCCUTSCSA,N,"PE(18:3(6Z,9Z,12Z)/18:0)",HVDYTORIBLUETE-AFCCUTSCSA-N
HMDB09124,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,39H,3-10,12,15,18,20-22,24,26-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,19-17-,25-23-/t39-/m1/s1",QSKMJKJFYUTBEY,WPJBFVPQSA,N,"PE(18:3(6Z,9Z,12Z)/18:1(11Z))",QSKMJKJFYUTBEY-WPJBFVPQSA-N
HMDB09125,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,39H,3-10,12,14-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b13-11-,19-17-,20-18-,25-23-/t39-/m1/s1",NKVWDIUBFNZDSM,RVFOXTAHSA,N,"PE(18:3(6Z,9Z,12Z)/18:1(9Z))",NKVWDIUBFNZDSM-RVFOXTAHSA-N
HMDB09126,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,39H,3-10,15-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b13-11-,14-12-,19-17-,20-18-,25-23-/t39-/m1/s1",BCFQSZJFFUKGGT,JAPIZEPDSA,N,"PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",BCFQSZJFFUKGGT-JAPIZEPDSA-N
HMDB09127,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,39H,3-10,15-16,21-22,27-38,42H2,1-2H3,(H,45,46)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-/m1/s1",OSRIFQMEUWIQSG,UFVRSURISA,N,"PE(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",OSRIFQMEUWIQSG-UFVRSURISA-N
HMDB09128,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23,25,39H,3-5,7,9-10,15-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t39-/m1/s1",USOOWDOOXARSIY,ZARBVEBHSA,N,"PE(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",USOOWDOOXARSIY-ZARBVEBHSA-N
HMDB09129,733.468254669,C41H68NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,39H,3-5,7,9-10,15-16,21-22,27-38,42H2,1-2H3,(H,45,46)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-/m1/s1",LANJUVSPBFVKFF,WMODLPBSSA,N,"PE(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",LANJUVSPBFVKFF-WMODLPBSSA-N
HMDB09130,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,25,27,41H,3-11,13,15-17,19-20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b14-12-,21-18-,27-25-/t41-/m1/s1",PCKHTZYYWAQHBJ,LNQXFAROSA,N,"PE(18:3(6Z,9Z,12Z)/20:0)",PCKHTZYYWAQHBJ-LNQXFAROSA-N
HMDB09131,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,25,27,41H,3-11,13,15-16,20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,27-25-/t41-/m1/s1",JDMYIRPBIXAKJM,HCEMQMAESA,N,"PE(18:3(6Z,9Z,12Z)/20:1(11Z))",JDMYIRPBIXAKJM-HCEMQMAESA-N
HMDB09132,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,25,27,41H,3-10,15-16,20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,27-25-/t41-/m1/s1",DKGGFNCTHDFZHW,ASALTCRTSA,N,"PE(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))",DKGGFNCTHDFZHW-ASALTCRTSA-N
HMDB09133,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24-25,27-28,30,41H,3-11,13,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1",QSJGADMTQPUJBO,APHLYRGTSA,N,"PE(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",QSJGADMTQPUJBO-APHLYRGTSA-N
HMDB09134,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27,41H,3-10,15-16,20,23,26,28-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t41-/m1/s1",MJTXLOUNFZEVMD,WBDYGFGLSA,N,"PE(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))",MJTXLOUNFZEVMD-WBDYGFGLSA-N
HMDB09135,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27-28,30,41H,3-10,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1",RMCWBYVURJSZEU,WUWLLRFGSA,N,"PE(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",RMCWBYVURJSZEU-WUWLLRFGSA-N
HMDB09136,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27,41H,3-4,6,8-10,15-16,20,23,26,28-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t41-/m1/s1",BHTITRWFMPZTGX,QBIUCARZSA,N,"PE(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",BHTITRWFMPZTGX-QBIUCARZSA-N
HMDB09137,759.483904733,C43H70NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27-28,30,41H,3-4,6,8-10,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1",LAXOJOQXUPOBND,HSHOEZBASA,N,"PE(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LAXOJOQXUPOBND-HSHOEZBASA-N
HMDB09138,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,27,29,43H,3-11,13,15-17,19-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-,29-27-/t43-/m1/s1",BNZACXRQCJXJDD,SYMPELKQSA,N,"PE(18:3(6Z,9Z,12Z)/22:0)",BNZACXRQCJXJDD-SYMPELKQSA-N
HMDB09139,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,27,29,43H,3-11,13,15-16,20-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-,29-27-/t43-/m1/s1",JLYDNXJQTBLQKZ,WMEUQYBGSA,N,"PE(18:3(6Z,9Z,12Z)/22:1(13Z))",JLYDNXJQTBLQKZ-WMEUQYBGSA-N
HMDB09140,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,27,29,43H,3-10,15-16,20-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,23-18-,29-27-/t43-/m1/s1",GMXIUCLINHXQQD,VLLLCYRKSA,N,"PE(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",GMXIUCLINHXQQD-VLLLCYRKSA-N
HMDB09141,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,43H,3-10,15-16,20,24-25,30-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-/m1/s1",CJBHVSFSJIZOSI,CCQVWZKGSA,N,"PE(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",CJBHVSFSJIZOSI-CCQVWZKGSA-N
HMDB09142,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,32,34,43H,3-10,15-16,20,24-25,30-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-/m1/s1",AWVIJOHKRCAEOZ,ARCLLVCNSA,N,"PE(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AWVIJOHKRCAEOZ-ARCLLVCNSA-N
HMDB09143,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,43H,3-4,6,8-10,15-16,20,24-25,30-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-/m1/s1",ARLFDIFFXPDGAX,QEQVROBWSA,N,"PE(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ARLFDIFFXPDGAX-QEQVROBWSA-N
HMDB09144,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,32,34,43H,3-4,6,8-10,15-16,20,24-25,30-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-/m1/s1",ONSVAFNPEAEPSP,CPUBONDHSA,N,"PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ONSVAFNPEAEPSP-CPUBONDHSA-N
HMDB09145,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,29,31,45H,3-11,13,15-17,19-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b14-12-,25-18-,31-29-/t45-/m1/s1",QQIPZYDNLNFNEI,SFLUNUEYSA,N,"PE(18:3(6Z,9Z,12Z)/24:0)",QQIPZYDNLNFNEI-SFLUNUEYSA-N
HMDB09146,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,29,31,45H,3-11,13,15-16,20-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-,31-29-/t45-/m1/s1",TXHMNLOYTLTKSL,VQUPJGPGSA,N,"PE(18:3(6Z,9Z,12Z)/24:1(15Z))",TXHMNLOYTLTKSL-VQUPJGPGSA-N
HMDB09147,697.504640175,C39H72NO7P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C39H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,31,34,38H,3-10,12,14-16,18,20-21,23,25-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b13-11-,19-17-,24-22-,34-31-/t38-/m1/s1",HIBHCGGDRIJXQH,KDBKAMDRSA,N,"PE(18:3(6Z,9Z,12Z)/P-16:0)",HIBHCGGDRIJXQH-KDBKAMDRSA-N
HMDB09148,725.535940303,C41H76NO7P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,33,36,40H,3-11,13,15-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,20-18-,26-24-,36-33-/t40-/m1/s1",SYCLSGAGTPLKOH,GMDHOFCPSA,N,"PE(18:3(6Z,9Z,12Z)/P-18:0)",SYCLSGAGTPLKOH-GMDHOFCPSA-N
HMDB09149,723.520290239,C41H74NO7P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,33,36,40H,3-11,16-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,15-13-,20-18-,26-24-,36-33-/t40-/m1/s1",KDMBUUZGCXQNBE,XBICFDGKSA,N,"PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))",KDMBUUZGCXQNBE-XBICFDGKSA-N
HMDB09150,723.520290239,C41H74NO7P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,33,36,40H,3-11,13,15-16,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,19-17-,20-18-,26-24-,36-33-/t40-/m1/s1",XLBRCASDZDRYLA,FWMGDSTOSA,N,"PE(18:3(6Z,9Z,12Z)/P-18:1(9Z))",XLBRCASDZDRYLA-FWMGDSTOSA-N
HMDB09151,685.468254669,C37H68NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,35H,3-4,6,8-10,12,14-15,18-34,38H2,1-2H3,(H,41,42)/b7-5-,13-11-,17-16-/t35-/m1/s1",SLZWJFKNMWXPQG,SPJWFKKYSA,N,"PE(18:3(9Z,12Z,15Z)/14:0)",SLZWJFKNMWXPQG-SPJWFKKYSA-N
HMDB09152,683.452604605,C37H66NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,35H,3-4,6,8-9,14-15,18-34,38H2,1-2H3,(H,41,42)/b7-5-,12-10-,13-11-,17-16-/t35-/m1/s1",UTSAPYVEKHUVDK,YUOYCBLWSA,N,"PE(18:3(9Z,12Z,15Z)/14:1(9Z))",UTSAPYVEKHUVDK-YUOYCBLWSA-N
HMDB09153,699.483904733,C38H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36H,3-4,6,8-10,12,14-16,19-35,39H2,1-2H3,(H,42,43)/b7-5-,13-11-,18-17-/t36-/m1/s1",YDFWANIGEBFERL,IUUYEROKSA,N,"PE(18:3(9Z,12Z,15Z)/15:0)",YDFWANIGEBFERL-IUUYEROKSA-N
HMDB09154,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37H,3-4,6,8-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,18-17-/t37-/m1/s1",IHCVKHJRABJBRO,WSQRTPJYSA,N,"PE(18:3(9Z,12Z,15Z)/16:0)",IHCVKHJRABJBRO-WSQRTPJYSA-N
HMDB09155,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,37H,3-4,6,8-10,12,15,19-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-14-,18-17-/t37-/m1/s1",CRKRLIRLVPHMPG,BVEGXQDJSA,N,"PE(18:3(9Z,12Z,15Z)/16:1(9Z))",CRKRLIRLVPHMPG-BVEGXQDJSA-N
HMDB09156,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,39H,3-4,6,8-10,12,14-16,18,20-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,19-17-/t39-/m1/s1",NTINXHSINBZQGH,OLWDQJIWSA,N,"PE(18:3(9Z,12Z,15Z)/18:0)",NTINXHSINBZQGH-OLWDQJIWSA-N
HMDB09157,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,39H,3-4,6,8-10,12,15,18,20-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,19-17-/t39-/m1/s1",AYZAKYXVCRFKJG,HTCLYNKVSA,N,"PE(18:3(9Z,12Z,15Z)/18:1(11Z))",AYZAKYXVCRFKJG-HTCLYNKVSA-N
HMDB09158,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,39H,3-4,6,8-10,12,14-16,21-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,19-17-,20-18-/t39-/m1/s1",QLXOJXUXNJLYFV,REUDLEIBSA,N,"PE(18:3(9Z,12Z,15Z)/18:1(9Z))",QLXOJXUXNJLYFV-REUDLEIBSA-N
HMDB09159,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,39H,3-4,6,8-10,15-16,21-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,14-12-,19-17-,20-18-/t39-/m1/s1",VIVOIHQVZSMABQ,OWRFCLNLSA,N,"PE(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",VIVOIHQVZSMABQ-OWRFCLNLSA-N
HMDB09160,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,24,26,39H,3-4,6,8-10,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-/m1/s1",WRGUUSWAJYAYFO,NTPITJSKSA,N,"PE(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",WRGUUSWAJYAYFO-NTPITJSKSA-N
HMDB09161,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39H,3-4,9-10,15-16,21-38,42H2,1-2H3,(H,45,46)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-/m1/s1",WIHSZOXPODIZSW,KJIWEYRQSA,N,"PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",WIHSZOXPODIZSW-KJIWEYRQSA-N
HMDB09162,733.468254669,C41H68NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,24,26,39H,3-4,9-10,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-/m1/s1",NMQRXCUENBTULJ,ZOXHCELYSA,N,"PE(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",NMQRXCUENBTULJ-ZOXHCELYSA-N
HMDB09163,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,41H,3-5,7,9-11,13,15-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,21-18-/t41-/m1/s1",DTSBVGBBJCMGQC,QBXFUDBTSA,N,"PE(18:3(9Z,12Z,15Z)/20:0)",DTSBVGBBJCMGQC-QBXFUDBTSA-N
HMDB09164,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,41H,3-5,7,9-11,13,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-/t41-/m1/s1",PIRHRBPWHDUAHE,ZJCFFPDTSA,N,"PE(18:3(9Z,12Z,15Z)/20:1(11Z))",PIRHRBPWHDUAHE-ZJCFFPDTSA-N
HMDB09165,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,41H,3-5,7,9-10,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-/t41-/m1/s1",FGAIGMYJGVYYEI,GYEARLHBSA,N,"PE(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))",FGAIGMYJGVYYEI-GYEARLHBSA-N
HMDB09166,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24,28,30,41H,3-5,7,9-11,13,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1",MBCBOKOMCWGBKJ,QTXVIUPLSA,N,"PE(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",MBCBOKOMCWGBKJ-QTXVIUPLSA-N
HMDB09167,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,41H,3-5,7,9-10,15-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t41-/m1/s1",RNNCXRLOUVGPBJ,FYUMQEHNSA,N,"PE(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))",RNNCXRLOUVGPBJ-FYUMQEHNSA-N
HMDB09168,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,41H,3-5,7,9-10,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1",XYEUCUFQLRMOJV,NGQNUNEHSA,N,"PE(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",XYEUCUFQLRMOJV-NGQNUNEHSA-N
HMDB09169,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24,41H,3-4,9-10,15-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t41-/m1/s1",XVQPSVCDUULOAB,ADBRIYHJSA,N,"PE(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",XVQPSVCDUULOAB-ADBRIYHJSA-N
HMDB09170,759.483904733,C43H70NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24,28,30,41H,3-4,9-10,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1",HFWHJOLEJCSBHZ,NGLFSTTGSA,N,"PE(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HFWHJOLEJCSBHZ-NGLFSTTGSA-N
HMDB09171,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,43H,3-5,7,9-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-/t43-/m1/s1",UMWOQTVSVNCURP,VFTHXXHWSA,N,"PE(18:3(9Z,12Z,15Z)/22:0)",UMWOQTVSVNCURP-VFTHXXHWSA-N
HMDB09172,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,43H,3-5,7,9-11,13,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,23-18-/t43-/m1/s1",DSZLDVIMYQKWGY,JOIVCNAYSA,N,"PE(18:3(9Z,12Z,15Z)/22:1(13Z))",DSZLDVIMYQKWGY-JOIVCNAYSA-N
HMDB09173,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,43H,3-5,7,9-10,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,23-18-/t43-/m1/s1",JNMLRFRSKRFHKL,QPBWJCTOSA,N,"PE(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",JNMLRFRSKRFHKL-QPBWJCTOSA-N
HMDB09174,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,43H,3-5,7,9-10,15-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1",MVLZMUXUUBVMLJ,DCDOHNQYSA,N,"PE(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",MVLZMUXUUBVMLJ-DCDOHNQYSA-N
HMDB09175,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,32,34,43H,3-5,7,9-10,15-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1",MIAGEQWEGTUBSR,ODOWZLIHSA,N,"PE(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MIAGEQWEGTUBSR-ODOWZLIHSA-N
HMDB09176,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,43H,3-4,9-10,15-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1",XYWAJLPCPWNUBD,QYNLXBADSA,N,"PE(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XYWAJLPCPWNUBD-QYNLXBADSA-N
HMDB09177,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,43H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1",UCWMHVFXQNTJNR,NQUDRLTBSA,N,"PE(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UCWMHVFXQNTJNR-NQUDRLTBSA-N
HMDB09178,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,45H,3-5,7,9-11,13,15-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-/t45-/m1/s1",NMAGOYLJTVGSDN,STJFKRLNSA,N,"PE(18:3(9Z,12Z,15Z)/24:0)",NMAGOYLJTVGSDN-STJFKRLNSA-N
HMDB09179,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,45H,3-5,7,9-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,25-18-/t45-/m1/s1",INJABSCEMWLNJM,SBQDDQETSA,N,"PE(18:3(9Z,12Z,15Z)/24:1(15Z))",INJABSCEMWLNJM-SBQDDQETSA-N
HMDB09180,697.504640175,C39H72NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C39H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,31,34,38H,3-4,6,8-10,12,14-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b7-5-,13-11-,19-17-,34-31-/t38-/m1/s1",NRGDDFZHGDUGNW,PUYTUHGOSA,N,"PE(18:3(9Z,12Z,15Z)/P-16:0)",NRGDDFZHGDUGNW-PUYTUHGOSA-N
HMDB09181,725.535940303,C41H76NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,33,36,40H,3-5,7,9-11,13,15-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,20-18-,36-33-/t40-/m1/s1",KDCYUKBGSBLZDI,AMYUOJRJSA,N,"PE(18:3(9Z,12Z,15Z)/P-18:0)",KDCYUKBGSBLZDI-AMYUOJRJSA-N
HMDB09182,723.520290239,C41H74NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,33,36,40H,3-5,7,9-11,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,15-13-,20-18-,36-33-/t40-/m1/s1",LZKMZMYNPDCEHB,GPCLIJNSSA,N,"PE(18:3(9Z,12Z,15Z)/P-18:1(11Z))",LZKMZMYNPDCEHB-GPCLIJNSSA-N
HMDB09183,723.520290239,C41H74NO7P,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,33,36,40H,3-5,7,9-11,13,15-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,19-17-,20-18-,36-33-/t40-/m1/s1",WMZLOYMIIRLLCB,WCQFIOJXSA,N,"PE(18:3(9Z,12Z,15Z)/P-18:1(9Z))",WMZLOYMIIRLLCB-WCQFIOJXSA-N
HMDB09184,683.452604605,C37H66NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20-21,35H,3-4,6,8-10,12,14-15,18-19,22-34,38H2,1-2H3,(H,41,42)/b7-5-,13-11-,17-16-,21-20-/t35-/m1/s1",RHNPZYSPJNYCKQ,COAQNPCESA,N,"PE(18:4(6Z,9Z,12Z,15Z)/14:0)",RHNPZYSPJNYCKQ-COAQNPCESA-N
HMDB09185,681.436954541,C37H64NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H64NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,20-21,35H,3-4,6,8-9,14-15,18-19,22-34,38H2,1-2H3,(H,41,42)/b7-5-,12-10-,13-11-,17-16-,21-20-/t35-/m1/s1",AUBOWNBLQGRZET,CGJCSFBASA,N,"PE(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))",AUBOWNBLQGRZET-CGJCSFBASA-N
HMDB09186,697.468254669,C38H68NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H68NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21-22,36H,3-4,6,8-10,12,14-16,19-20,23-35,39H2,1-2H3,(H,42,43)/b7-5-,13-11-,18-17-,22-21-/t36-/m1/s1",PBOPVGIDQCTEPL,GMHWVZMWSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/15:0)",PBOPVGIDQCTEPL-GMHWVZMWSA-N
HMDB09187,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,37H,3-4,6,8-10,12,14-16,19-20,22,24-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,18-17-,23-21-/t37-/m1/s1",NAFLWBAPXGJIEM,SCXJDJNESA,N,"PE(18:4(6Z,9Z,12Z,15Z)/16:0)",NAFLWBAPXGJIEM-SCXJDJNESA-N
HMDB09188,709.468254669,C39H68NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,21,23,37H,3-4,6,8-10,12,15,19-20,22,24-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-14-,18-17-,23-21-/t37-/m1/s1",RJLKXIGLIOWPQJ,PMKWSVETSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/16:1(9Z))",RJLKXIGLIOWPQJ-PMKWSVETSA-N
HMDB09189,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,39H,3-4,6,8-10,12,14-16,18,20-22,24,26-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,19-17-,25-23-/t39-/m1/s1",PAACCHRPIRMOCE,DZCHCCCASA,N,"PE(18:4(6Z,9Z,12Z,15Z)/18:0)",PAACCHRPIRMOCE-DZCHCCCASA-N
HMDB09190,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,23,25,39H,3-4,6,8-10,12,15,18,20-22,24,26-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,19-17-,25-23-/t39-/m1/s1",HCTGZPINEYWKTN,GSTFTXEGSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/18:1(11Z))",HCTGZPINEYWKTN-GSTFTXEGSA-N
HMDB09191,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,39H,3-4,6,8-10,12,14-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,19-17-,20-18-,25-23-/t39-/m1/s1",LOVKENPUWMFUJV,XVIXSHTPSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/18:1(9Z))",LOVKENPUWMFUJV-XVIXSHTPSA-N
HMDB09192,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,39H,3-4,6,8-10,15-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-/t39-/m1/s1",LNVPCCVEYQOPMO,JBSYTFRPSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",LNVPCCVEYQOPMO-JBSYTFRPSA-N
HMDB09193,733.468254669,C41H68NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,39H,3-4,6,8-10,15-16,21-22,27-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-/m1/s1",BCAWHBQEZZFGOK,FGCAYDHWSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",BCAWHBQEZZFGOK-FGCAYDHWSA-N
HMDB09194,733.468254669,C41H68NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23,25,39H,3-4,9-10,15-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t39-/m1/s1",GSEMAEHMTNTKJO,FWHUNPCGSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",GSEMAEHMTNTKJO-FWHUNPCGSA-N
HMDB09195,731.452604605,C41H66NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,39H,3-4,9-10,15-16,21-22,27-38,42H2,1-2H3,(H,45,46)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-/m1/s1",XPVPRBUMVPRRIJ,FWANEPEWSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",XPVPRBUMVPRRIJ-FWANEPEWSA-N
HMDB09196,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,25,27,41H,3-5,7,9-11,13,15-17,19-20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,21-18-,27-25-/t41-/m1/s1",HKJCCNCCESQWTM,OUJOQKIDSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/20:0)",HKJCCNCCESQWTM-OUJOQKIDSA-N
HMDB09197,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,25,27,41H,3-5,7,9-11,13,15-16,20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,27-25-/t41-/m1/s1",LQTOTSOXAWVBCE,ZZIDIMOESA,N,"PE(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))",LQTOTSOXAWVBCE-ZZIDIMOESA-N
HMDB09198,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,25,27,41H,3-5,7,9-10,15-16,20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,27-25-/t41-/m1/s1",LUYFBLCIIVMULN,CRWZBHAMSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))",LUYFBLCIIVMULN-CRWZBHAMSA-N
HMDB09199,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24-25,27-28,30,41H,3-5,7,9-11,13,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1",MPTBTOHYOPUCIN,ARRZODRPSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",MPTBTOHYOPUCIN-ARRZODRPSA-N
HMDB09200,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27,41H,3-5,7,9-10,15-16,20,23,26,28-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t41-/m1/s1",AJSCMAKDRONKHY,SCXHJEMFSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))",AJSCMAKDRONKHY-SCXHJEMFSA-N
HMDB09201,759.483904733,C43H70NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27-28,30,41H,3-5,7,9-10,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1",FISBFMKQZVQJLZ,HHXMUPGSSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",FISBFMKQZVQJLZ-HHXMUPGSSA-N
HMDB09202,759.483904733,C43H70NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27,41H,3-4,9-10,15-16,20,23,26,28-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t41-/m1/s1",AQJFKWBVDIIVNO,TUZBCWOPSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",AQJFKWBVDIIVNO-TUZBCWOPSA-N
HMDB09203,757.468254669,C43H68NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27-28,30,41H,3-4,9-10,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1",OTNVNCFIFZWXQW,QRNFJZDVSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",OTNVNCFIFZWXQW-QRNFJZDVSA-N
HMDB09204,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,27,29,43H,3-5,7,9-11,13,15-17,19-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-,29-27-/t43-/m1/s1",QCCKXFCODQEYIW,CEGLHCBSSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/22:0)",QCCKXFCODQEYIW-CEGLHCBSSA-N
HMDB09205,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,27,29,43H,3-5,7,9-11,13,15-16,20-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,23-18-,29-27-/t43-/m1/s1",RQRUBEBOUYHPDW,HJVBBDAQSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",RQRUBEBOUYHPDW-HJVBBDAQSA-N
HMDB09206,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,27,29,43H,3-5,7,9-10,15-16,20-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,23-18-,29-27-/t43-/m1/s1",UNDKZDVAIPPERF,HXFHHUPLSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",UNDKZDVAIPPERF-HXFHHUPLSA-N
HMDB09207,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,43H,3-5,7,9-10,15-16,20,24-25,30-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-/m1/s1",HMUNESAIQZELST,AQPMPDAQSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",HMUNESAIQZELST-AQPMPDAQSA-N
HMDB09208,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,32,34,43H,3-5,7,9-10,15-16,20,24-25,30-31,33,35-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-/m1/s1",IZQPIRCYCWWAIH,FCCVTKNJSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IZQPIRCYCWWAIH-FCCVTKNJSA-N
HMDB09209,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,43H,3-4,9-10,15-16,20,24-25,30-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-/m1/s1",RGMOUPDSMFQEEF,CSHVBUSASA,N,"PE(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RGMOUPDSMFQEEF-CSHVBUSASA-N
HMDB09210,783.483904733,C45H70NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,32,34,43H,3-4,9-10,15-16,20,24-25,30-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-/m1/s1",DQDAIXPCMNDLGF,SKXXZZILSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DQDAIXPCMNDLGF-SKXXZZILSA-N
HMDB09211,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,29,31,45H,3-5,7,9-11,13,15-17,19-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-,31-29-/t45-/m1/s1",ULRDFNCLYORCAP,FGRCAFLSSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/24:0)",ULRDFNCLYORCAP-FGRCAFLSSA-N
HMDB09212,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,29,31,45H,3-5,7,9-11,13,15-16,20-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,25-18-,31-29-/t45-/m1/s1",ZNNFJVNPRVPYIW,RBEXFCIKSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",ZNNFJVNPRVPYIW-RBEXFCIKSA-N
HMDB09213,695.488990111,C39H70NO7P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C39H70NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,31,34,38H,3-4,6,8-10,12,14-16,18,20-21,23,25-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b7-5-,13-11-,19-17-,24-22-,34-31-/t38-/m1/s1",YSMCWQAXXVBFRZ,AZQXHMFSSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/P-16:0)",YSMCWQAXXVBFRZ-AZQXHMFSSA-N
HMDB09214,723.520290239,C41H74NO7P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,33,36,40H,3-5,7,9-11,13,15-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,20-18-,26-24-,36-33-/t40-/m1/s1",JJISWJXUIHJHGL,PEAVDLQLSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/P-18:0)",JJISWJXUIHJHGL-PEAVDLQLSA-N
HMDB09215,721.504640175,C41H72NO7P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,24,26,33,36,40H,3-5,7,9-11,16-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,15-13-,20-18-,26-24-,36-33-/t40-/m1/s1",ZKHZGLULXDLLMK,KQNMAQKCSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))",ZKHZGLULXDLLMK-KQNMAQKCSA-N
HMDB09216,721.504640175,C41H72NO7P,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,33,36,40H,3-5,7,9-11,13,15-16,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,19-17-,20-18-,26-24-,36-33-/t40-/m1/s1",OTJLEFPWTYBLNF,DMJZECDSSA,N,"PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(9Z))",OTJLEFPWTYBLNF-DMJZECDSSA-N
HMDB09217,719.546504989,C39H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1",VRXSSVHPKVWXGZ,DIPNUNPCSA,N,PE(20:0/14:0),VRXSSVHPKVWXGZ-DIPNUNPCSA-N
HMDB09218,717.530854925,C39H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10,12,37H,3-9,11,13-36,40H2,1-2H3,(H,43,44)/b12-10-/t37-/m1/s1",ZWXQMZNUZLEFSD,CAPKZEEOSA,N,PE(20:0/14:1(9Z)),ZWXQMZNUZLEFSD-CAPKZEEOSA-N
HMDB09219,733.562155053,C40H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1",OUNAKUJUDICZMA,KXQOOQHDSA,N,PE(20:0/15:0),OUNAKUJUDICZMA-KXQOOQHDSA-N
HMDB09220,747.577805117,C41H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1",UEDZCHGCEKMYMD,LDLOPFEMSA,N,PE(20:0/16:0),UEDZCHGCEKMYMD-LDLOPFEMSA-N
HMDB09221,745.562155053,C41H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16,39H,3-13,15,17-38,42H2,1-2H3,(H,45,46)/b16-14-/t39-/m1/s1",KZMQZJZTKYKTJQ,QRMPNUHKSA,N,PE(20:0/16:1(9Z)),KZMQZJZTKYKTJQ-QRMPNUHKSA-N
HMDB09222,775.609105245,C43H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1",BTLAVGLEJZTZIF,VQJSHJPSSA,N,PE(20:0/18:0),BTLAVGLEJZTZIF-VQJSHJPSSA-N
HMDB09223,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h14,16,41H,3-13,15,17-40,44H2,1-2H3,(H,47,48)/b16-14-/t41-/m1/s1",XYHIPPZFNNOMQL,MITQYPHISA,N,PE(20:0/18:1(11Z)),XYHIPPZFNNOMQL-MITQYPHISA-N
HMDB09224,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h18,21,41H,3-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b21-18-/t41-/m1/s1",VDNXNFMAFDYQSI,JHWHEROUSA,N,PE(20:0/18:1(9Z)),VDNXNFMAFDYQSI-JHWHEROUSA-N
HMDB09225,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,41H,3-11,13,15-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b14-12-,21-18-/t41-/m1/s1",CLPMAPXZURYSNH,CNBLIUODSA,N,"PE(20:0/18:2(9Z,12Z))",CLPMAPXZURYSNH-CNBLIUODSA-N
HMDB09226,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,26,28,41H,3-11,13,15-17,19-20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b14-12-,21-18-,28-26-/t41-/m1/s1",YNJVFWPRGKTZRJ,PEXXDJRISA,N,"PE(20:0/18:3(6Z,9Z,12Z))",YNJVFWPRGKTZRJ-PEXXDJRISA-N
HMDB09227,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,41H,3-5,7,9-11,13,15-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,21-18-/t41-/m1/s1",ORRMWFBUBWOGBF,QBXFUDBTSA,N,"PE(20:0/18:3(9Z,12Z,15Z))",ORRMWFBUBWOGBF-QBXFUDBTSA-N
HMDB09228,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,26,28,41H,3-5,7,9-11,13,15-17,19-20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,21-18-,28-26-/t41-/m1/s1",NYRDUZVMRXFKRA,KCHFORSBSA,N,"PE(20:0/18:4(6Z,9Z,12Z,15Z))",NYRDUZVMRXFKRA-KCHFORSBSA-N
HMDB09229,803.640405373,C45H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1",KPHQJKTZXVNUHH,VZUYHUTRSA,N,PE(20:0/20:0),KPHQJKTZXVNUHH-VZUYHUTRSA-N
HMDB09230,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,43H,3-17,19,21-42,46H2,1-2H3,(H,49,50)/b20-18-/t43-/m1/s1",QULOEXDJDJLZMT,KAKKGSANSA,N,PE(20:0/20:1(11Z)),QULOEXDJDJLZMT-KAKKGSANSA-N
HMDB09231,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,43H,3-11,13,15-17,19,21-42,46H2,1-2H3,(H,49,50)/b14-12-,20-18-/t43-/m1/s1",VFXVJLJURBJMAK,RNLCRUPCSA,N,"PE(20:0/20:2(11Z,14Z))",VFXVJLJURBJMAK-RNLCRUPCSA-N
HMDB09232,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,24,26,30,32,43H,3-17,19,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b20-18-,26-24-,32-30-/t43-/m1/s1",XNZFYHGKUNPRFB,CNQHTICISA,N,"PE(20:0/20:3(5Z,8Z,11Z))",XNZFYHGKUNPRFB-CNQHTICISA-N
HMDB09233,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,43H,3-11,13,15-17,19,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b14-12-,20-18-,26-24-/t43-/m1/s1",NRYVZJFQGUSOJJ,JARVCMLLSA,N,"PE(20:0/20:3(8Z,11Z,14Z))",NRYVZJFQGUSOJJ-JARVCMLLSA-N
HMDB09234,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,43H,3-11,13,15-17,19,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b14-12-,20-18-,26-24-,32-30-/t43-/m1/s1",CIXWKDHTFXYVTC,LYPBNKOOSA,N,"PE(20:0/20:4(5Z,8Z,11Z,14Z))",CIXWKDHTFXYVTC-LYPBNKOOSA-N
HMDB09235,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,43H,3-5,7,9-11,13,15-17,19,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,20-18-,26-24-/t43-/m1/s1",MIPOZDXFSKBSGM,IMYCSHPSSA,N,"PE(20:0/20:4(8Z,11Z,14Z,17Z))",MIPOZDXFSKBSGM-IMYCSHPSSA-N
HMDB09236,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,43H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,20-18-,26-24-,32-30-/t43-/m1/s1",MWDRGYRNYDLFKA,QAYGZBPNSA,N,"PE(20:0/20:5(5Z,8Z,11Z,14Z,17Z))",MWDRGYRNYDLFKA-QAYGZBPNSA-N
HMDB09237,831.671705501,C47H94NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h45H,3-44,48H2,1-2H3,(H,51,52)/t45-/m1/s1",YZHFSRADFLHBES,WBVITSLISA,N,PE(20:0/22:0),YZHFSRADFLHBES-WBVITSLISA-N
HMDB09238,829.656055437,C47H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,45H,3-16,18,20-44,48H2,1-2H3,(H,51,52)/b19-17-/t45-/m1/s1",IPSFWKSHCKHCIT,XMGJQEBSSA,N,PE(20:0/22:1(13Z)),IPSFWKSHCKHCIT-XMGJQEBSSA-N
HMDB09239,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,45H,3-10,12,14-16,18,20-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-/t45-/m1/s1",HUYYUBMEVZULFJ,YPJAHOAKSA,N,"PE(20:0/22:2(13Z,16Z))",HUYYUBMEVZULFJ-YPJAHOAKSA-N
HMDB09240,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,45H,3-10,12,14-16,18,20-21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,24-22-,30-28-/t45-/m1/s1",CKFHBKOKIQZFQD,BDYBUHBBSA,N,"PE(20:0/22:4(7Z,10Z,13Z,16Z))",CKFHBKOKIQZFQD-BDYBUHBBSA-N
HMDB09241,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,34,36,45H,3-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,24-22-,30-28-,36-34-/t45-/m1/s1",HCNMKFZEQIRLQX,BYKGOJQSSA,N,"PE(20:0/22:5(4Z,7Z,10Z,13Z,16Z))",HCNMKFZEQIRLQX-BYKGOJQSSA-N
HMDB09242,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,30-28-/t45-/m1/s1",YALHDMNTTOMEOD,RWUWYPOTSA,N,"PE(20:0/22:5(7Z,10Z,13Z,16Z,19Z))",YALHDMNTTOMEOD-RWUWYPOTSA-N
HMDB09243,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,34,36,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,30-28-,36-34-/t45-/m1/s1",WIFLVHIKWGINAQ,OAVPECNCSA,N,"PE(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WIFLVHIKWGINAQ-OAVPECNCSA-N
HMDB09244,859.703005629,C49H98NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h47H,3-46,50H2,1-2H3,(H,53,54)/t47-/m1/s1",SNQQLUVWKCTRBA,QZNUWAOFSA,N,PE(20:0/24:0),SNQQLUVWKCTRBA-QZNUWAOFSA-N
HMDB09245,857.687355565,C49H96NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19,47H,3-16,18,20-46,50H2,1-2H3,(H,53,54)/b19-17-/t47-/m1/s1",OSNXATCNDQLOEM,YMTWRDBNSA,N,PE(20:0/24:1(15Z)),OSNXATCNDQLOEM-YMTWRDBNSA-N
HMDB09246,731.582890495,C41H82NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C41H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h33,36,40H,3-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b36-33-/t40-/m1/s1",STUJDTYLSXOFQL,DZGZMTAISA,N,PE(20:0/P-16:0),STUJDTYLSXOFQL-DZGZMTAISA-N
HMDB09247,759.614190623,C43H86NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C43H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h35,38,42H,3-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b38-35-/t42-/m1/s1",YSTXDPBUKNZBQQ,PVPDQLFYSA,N,PE(20:0/dm18:0),YSTXDPBUKNZBQQ-PVPDQLFYSA-N
HMDB09248,757.598540559,C43H84NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,35,38,42H,3-13,15,17-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,38-35-/t42-/m1/s1",UAPYZCDNFGJZSC,QSKLCZHJSA,N,PE(20:0/P-18:1(11Z)),UAPYZCDNFGJZSC-QSKLCZHJSA-N
HMDB09249,757.598540559,C43H84NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,35,38,42H,3-17,19,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b20-18-,38-35-/t42-/m1/s1",KRZKEZVISPYOPJ,PFGXKIITSA,N,PE(20:0/P-18:1(9Z)),KRZKEZVISPYOPJ-PFGXKIITSA-N
HMDB09250,717.530854925,C39H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h16-17,37H,3-15,18-36,40H2,1-2H3,(H,43,44)/b17-16-/t37-/m1/s1",MUMLMELRPRIEEL,OBYUZFALSA,N,PE(20:1(11Z)/14:0),MUMLMELRPRIEEL-OBYUZFALSA-N
HMDB09251,715.515204861,C39H74NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10,12,16-17,37H,3-9,11,13-15,18-36,40H2,1-2H3,(H,43,44)/b12-10-,17-16-/t37-/m1/s1",DWHRTOHTUJFITL,DFQIBMCCSA,N,PE(20:1(11Z)/14:1(9Z)),DWHRTOHTUJFITL-DFQIBMCCSA-N
HMDB09252,731.546504989,C40H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h17-18,38H,3-16,19-37,41H2,1-2H3,(H,44,45)/b18-17-/t38-/m1/s1",NFNNYRWXNCCSSL,DYFSFZQGSA,N,PE(20:1(11Z)/15:0),NFNNYRWXNCCSSL-DYFSFZQGSA-N
HMDB09253,745.562155053,C41H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,39H,3-16,19-38,42H2,1-2H3,(H,45,46)/b18-17-/t39-/m1/s1",APTOFTJOCNPNQP,WUOYJZDRSA,N,PE(20:1(11Z)/16:0),APTOFTJOCNPNQP-WUOYJZDRSA-N
HMDB09254,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16-18,39H,3-13,15,19-38,42H2,1-2H3,(H,45,46)/b16-14-,18-17-/t39-/m1/s1",UBTNBSZLGQJLPI,HNNDRFCVSA,N,PE(20:1(11Z)/16:1(9Z)),UBTNBSZLGQJLPI-HNNDRFCVSA-N
HMDB09255,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17,19,41H,3-16,18,20-40,44H2,1-2H3,(H,47,48)/b19-17-/t41-/m1/s1",FMYXHSVUQFRMGW,HVLKLTLRSA,N,PE(20:1(11Z)/18:0),FMYXHSVUQFRMGW-HVLKLTLRSA-N
HMDB09256,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,41H,3-13,15,18,20-40,44H2,1-2H3,(H,47,48)/b16-14-,19-17-/t41-/m1/s1",GKXLKICEHUALBW,GMUXBFKVSA,N,PE(20:1(11Z)/18:1(11Z)),GKXLKICEHUALBW-GMUXBFKVSA-N
HMDB09257,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17-19,21,41H,3-16,20,22-40,44H2,1-2H3,(H,47,48)/b19-17-,21-18-/t41-/m1/s1",BUCLJVJCFFPNPB,HLHBCVTMSA,N,PE(20:1(11Z)/18:1(9Z)),BUCLJVJCFFPNPB-HLHBCVTMSA-N
HMDB09258,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,41H,3-11,13,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-/t41-/m1/s1",MHGHFPQRNCAGQZ,IHDWCTMISA,N,"PE(20:1(11Z)/18:2(9Z,12Z))",MHGHFPQRNCAGQZ-IHDWCTMISA-N
HMDB09259,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,26,28,41H,3-11,13,15-16,20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,28-26-/t41-/m1/s1",BAORKIQZJCLKSH,JUUFPVJKSA,N,"PE(20:1(11Z)/18:3(6Z,9Z,12Z))",BAORKIQZJCLKSH-JUUFPVJKSA-N
HMDB09260,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,41H,3-5,7,9-11,13,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-/t41-/m1/s1",YOMRACGWJSDOIN,ZJCFFPDTSA,N,"PE(20:1(11Z)/18:3(9Z,12Z,15Z))",YOMRACGWJSDOIN-ZJCFFPDTSA-N
HMDB09261,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,26,28,41H,3-5,7,9-11,13,15-16,20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,28-26-/t41-/m1/s1",VWMUCYIDXCZVHN,WQQUXVBGSA,N,"PE(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",VWMUCYIDXCZVHN-WQQUXVBGSA-N
HMDB09262,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-/t43-/m1/s1",YYRZMNJERKHKLP,RPBJOJELSA,N,PE(20:1(11Z)/20:0),YYRZMNJERKHKLP-RPBJOJELSA-N
HMDB09263,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43H,3-16,21-42,46H2,1-2H3,(H,49,50)/b19-17-,20-18-/t43-/m1/s1",XKHVUVBUSFQMDX,OYJIOEIKSA,N,PE(20:1(11Z)/20:1(11Z)),XKHVUVBUSFQMDX-OYJIOEIKSA-N
HMDB09264,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,43H,3-11,13,15-16,21-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-/t43-/m1/s1",DQPGARZMASLUJY,YJIJRROJSA,N,"PE(20:1(11Z)/20:2(11Z,14Z))",DQPGARZMASLUJY-YJIJRROJSA-N
HMDB09265,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,24,26,30,32,43H,3-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b19-17-,20-18-,26-24-,32-30-/t43-/m1/s1",FEPPCXIJSFVQDL,IKEWFQJZSA,N,"PE(20:1(11Z)/20:3(5Z,8Z,11Z))",FEPPCXIJSFVQDL-IKEWFQJZSA-N
HMDB09266,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,43H,3-11,13,15-16,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,26-24-/t43-/m1/s1",HHXLWNJDUZUKLO,RMVBIBMUSA,N,"PE(20:1(11Z)/20:3(8Z,11Z,14Z))",HHXLWNJDUZUKLO-RMVBIBMUSA-N
HMDB09267,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,43H,3-11,13,15-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,26-24-,32-30-/t43-/m1/s1",VPDGQGZVNVFJGD,PCXMWBQASA,N,"PE(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",VPDGQGZVNVFJGD-PCXMWBQASA-N
HMDB09268,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,43H,3-5,7,9-11,13,15-16,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,20-18-,26-24-/t43-/m1/s1",DVFTWBPPIMYUEN,QOPSJUFXSA,N,"PE(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",DVFTWBPPIMYUEN-QOPSJUFXSA-N
HMDB09269,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,43H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t43-/m1/s1",IXYMAAOCUUSCAR,ZGKFMFKDSA,N,"PE(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IXYMAAOCUUSCAR-ZGKFMFKDSA-N
HMDB09270,829.656055437,C47H92NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,45H,3-17,19,21-44,48H2,1-2H3,(H,51,52)/b20-18-/t45-/m1/s1",RCHDNJFLEGWCOZ,XWGPWIMLSA,N,PE(20:1(11Z)/22:0),RCHDNJFLEGWCOZ-XWGPWIMLSA-N
HMDB09271,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,45H,3-16,21-44,48H2,1-2H3,(H,51,52)/b19-17-,20-18-/t45-/m1/s1",KAISOVOBKYEPAC,BVVJDWBDSA,N,PE(20:1(11Z)/22:1(13Z)),KAISOVOBKYEPAC-BVVJDWBDSA-N
HMDB09272,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,45H,3-10,12,14-16,21-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-/t45-/m1/s1",XOOQPCRWQRXZSU,RLWNNFTMSA,N,"PE(20:1(11Z)/22:2(13Z,16Z))",XOOQPCRWQRXZSU-RLWNNFTMSA-N
HMDB09273,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,45H,3-10,12,14-16,21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,30-28-/t45-/m1/s1",MFCJYEQAQYRBSZ,SFUSYOGVSA,N,"PE(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",MFCJYEQAQYRBSZ-SFUSYOGVSA-N
HMDB09274,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,34,36,45H,3-10,12,14-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1",VCZGBUGIDHXNPT,VKWPTQFUSA,N,"PE(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VCZGBUGIDHXNPT-VKWPTQFUSA-N
HMDB09275,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,45H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-/t45-/m1/s1",UBTNUYDQWRJDPW,SKHVNQCPSA,N,"PE(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UBTNUYDQWRJDPW-SKHVNQCPSA-N
HMDB09276,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,34,36,45H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1",XRZUHOFZIRSWMJ,HYRAUDIFSA,N,"PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XRZUHOFZIRSWMJ-HYRAUDIFSA-N
HMDB09277,857.687355565,C49H96NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,47H,3-17,19,21-46,50H2,1-2H3,(H,53,54)/b20-18-/t47-/m1/s1",TVWRNQYOSCEXMG,KDNXRFBZSA,N,PE(20:1(11Z)/24:0),TVWRNQYOSCEXMG-KDNXRFBZSA-N
HMDB09278,855.671705501,C49H94NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,47H,3-16,21-46,50H2,1-2H3,(H,53,54)/b19-17-,20-18-/t47-/m1/s1",GFNXSHJMMCRBMB,FRWASNMLSA,N,PE(20:1(11Z)/24:1(15Z)),GFNXSHJMMCRBMB-FRWASNMLSA-N
HMDB09279,729.567240431,C41H80NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,33,36,40H,3-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,36-33-/t40-/m1/s1",RZGFDECXQULSLM,KHFVPPDWSA,N,PE(20:1(11Z)/P-16:0),RZGFDECXQULSLM-KHFVPPDWSA-N
HMDB09280,757.598540559,C43H84NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1",XEWZHCLDUCWNLB,HBHQMZOPSA,N,PE(20:1(11Z)/P-18:0),XEWZHCLDUCWNLB-HBHQMZOPSA-N
HMDB09281,755.582890495,C43H82NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,35,38,42H,3-13,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,19-17-,38-35-/t42-/m1/s1",OHBRNOPVIZLBBE,CGPNWZOFSA,N,PE(20:1(11Z)/P-18:1(11Z)),OHBRNOPVIZLBBE-CGPNWZOFSA-N
HMDB09282,755.582890495,C43H82NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,35,38,42H,3-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,20-18-,38-35-/t42-/m1/s1",USEKWJQLASGHIH,WLKREVAWSA,N,PE(20:1(11Z)/P-18:1(9Z)),USEKWJQLASGHIH-WLKREVAWSA-N
HMDB09283,715.515204861,C39H74NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,37H,3-10,12,14-15,18-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-/t37-/m1/s1",QVAHLHSHLMSNDW,UQYDIMRYSA,N,"PE(20:2(11Z,14Z)/14:0)",QVAHLHSHLMSNDW-UQYDIMRYSA-N
HMDB09284,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,37H,3-9,14-15,18-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-/t37-/m1/s1",YBTRAPFDGISFSK,RGWCGLOOSA,N,"PE(20:2(11Z,14Z)/14:1(9Z))",YBTRAPFDGISFSK-RGWCGLOOSA-N
HMDB09285,729.530854925,C40H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,38H,3-10,12,14-16,19-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-/t38-/m1/s1",OKBBWKDDDDZSJQ,XGKJNDTMSA,N,"PE(20:2(11Z,14Z)/15:0)",OKBBWKDDDDZSJQ-XGKJNDTMSA-N
HMDB09286,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,39H,3-10,12,14-16,19-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-/t39-/m1/s1",NWJGEXWORFCRSI,XKKGNKCGSA,N,"PE(20:2(11Z,14Z)/16:0)",NWJGEXWORFCRSI-XKKGNKCGSA-N
HMDB09287,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,39H,3-10,12,15,19-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-/t39-/m1/s1",CBFBPWNKOMZXKO,XKDWLADFSA,N,"PE(20:2(11Z,14Z)/16:1(9Z))",CBFBPWNKOMZXKO-XKDWLADFSA-N
HMDB09288,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,41H,3-10,12,14-16,18,20-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-/t41-/m1/s1",FRVWPWGGHGGKMD,JMMITYAOSA,N,"PE(20:2(11Z,14Z)/18:0)",FRVWPWGGHGGKMD-JMMITYAOSA-N
HMDB09289,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,41H,3-10,12,15,18,20-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-/t41-/m1/s1",JTGGVYZKUUZHRU,JMJSTCSESA,N,"PE(20:2(11Z,14Z)/18:1(11Z))",JTGGVYZKUUZHRU-JMJSTCSESA-N
HMDB09290,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21,41H,3-10,12,14-16,20,22-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-/t41-/m1/s1",VFYOEYMEMUQWTK,SIZKBEQBSA,N,"PE(20:2(11Z,14Z)/18:1(9Z))",VFYOEYMEMUQWTK-SIZKBEQBSA-N
HMDB09291,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,41H,3-10,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-/t41-/m1/s1",WRUBGMUVEQZROH,OOFVPZMUSA,N,"PE(20:2(11Z,14Z)/18:2(9Z,12Z))",WRUBGMUVEQZROH-OOFVPZMUSA-N
HMDB09292,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,26,28,41H,3-10,15-16,20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,28-26-/t41-/m1/s1",KCJHLHNKOKSELI,QKGXHTGVSA,N,"PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))",KCJHLHNKOKSELI-QKGXHTGVSA-N
HMDB09293,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,41H,3-5,7,9-10,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-/t41-/m1/s1",AWJMEKMEOPNUNJ,GYEARLHBSA,N,"PE(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))",AWJMEKMEOPNUNJ-GYEARLHBSA-N
HMDB09294,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,26,28,41H,3-5,7,9-10,15-16,20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,28-26-/t41-/m1/s1",BXGABXGDBKOHDO,PNHOVDMKSA,N,"PE(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",BXGABXGDBKOHDO-PNHOVDMKSA-N
HMDB09295,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,43H,3-10,12,14-16,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-/t43-/m1/s1",LZGKJVBQJZESKW,MTFJKWJPSA,N,"PE(20:2(11Z,14Z)/20:0)",LZGKJVBQJZESKW-MTFJKWJPSA-N
HMDB09296,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,43H,3-10,12,14-16,21-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-/t43-/m1/s1",ASGFBLZNKOAEKB,JLPGKHPDSA,N,"PE(20:2(11Z,14Z)/20:1(11Z))",ASGFBLZNKOAEKB-JLPGKHPDSA-N
HMDB09297,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,43H,3-10,15-16,21-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-/t43-/m1/s1",KSAJIJQUJUOZKJ,DHAKCBTASA,N,"PE(20:2(11Z,14Z)/20:2(11Z,14Z))",KSAJIJQUJUOZKJ-DHAKCBTASA-N
HMDB09298,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,24,26,30,32,43H,3-10,12,14-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,26-24-,32-30-/t43-/m1/s1",HCQUFOLAJNWIDV,NQBPNILHSA,N,"PE(20:2(11Z,14Z)/20:3(5Z,8Z,11Z))",HCQUFOLAJNWIDV-NQBPNILHSA-N
HMDB09299,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,43H,3-10,15-16,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,26-24-/t43-/m1/s1",JIEASZUPMDFVLW,WFGJNNQUSA,N,"PE(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))",JIEASZUPMDFVLW-WFGJNNQUSA-N
HMDB09300,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,43H,3-10,15-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t43-/m1/s1",HVIQRJQJMVZXSV,IXMIJUINSA,N,"PE(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",HVIQRJQJMVZXSV-IXMIJUINSA-N
HMDB09301,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,43H,3-5,7,9-10,15-16,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t43-/m1/s1",XSLAGHHVEDVPBE,GKYHGCTHSA,N,"PE(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",XSLAGHHVEDVPBE-GKYHGCTHSA-N
HMDB09302,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,43H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t43-/m1/s1",AQGATPGTIUISSG,IRLNBCNISA,N,"PE(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",AQGATPGTIUISSG-IRLNBCNISA-N
HMDB09303,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,45H,3-11,13,15-17,19,21-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-/t45-/m1/s1",INLCXMVTXQHPDA,FSZLMONYSA,N,"PE(20:2(11Z,14Z)/22:0)",INLCXMVTXQHPDA-FSZLMONYSA-N
HMDB09304,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,45H,3-11,13,15-16,21-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-/t45-/m1/s1",FKQWBRGDJVPYLI,WREJQHILSA,N,"PE(20:2(11Z,14Z)/22:1(13Z))",FKQWBRGDJVPYLI-WREJQHILSA-N
HMDB09305,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45H,3-10,15-16,21-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-/t45-/m1/s1",MOJYGLYBQGNUAW,JVEFJGDOSA,N,"PE(20:2(11Z,14Z)/22:2(13Z,16Z))",MOJYGLYBQGNUAW-JVEFJGDOSA-N
HMDB09306,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,28,30,45H,3-10,15-16,21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-/t45-/m1/s1",XVNNQZGTKGAXID,WKDKZCKYSA,N,"PE(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",XVNNQZGTKGAXID-WKDKZCKYSA-N
HMDB09307,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,28,30,34,36,45H,3-10,15-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1",YKGWPFOSRMGOGZ,BDJNJYPGSA,N,"PE(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YKGWPFOSRMGOGZ-BDJNJYPGSA-N
HMDB09308,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,28,30,45H,3-4,6,8-10,15-16,21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,30-28-/t45-/m1/s1",GYOIDNZBAWTCFB,RRMUZNGVSA,N,"PE(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GYOIDNZBAWTCFB-RRMUZNGVSA-N
HMDB09309,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,28,30,34,36,45H,3-4,6,8-10,15-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1",SGQIECCWAOPTNL,LEFPGAKQSA,N,"PE(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SGQIECCWAOPTNL-LEFPGAKQSA-N
HMDB09310,855.671705501,C49H94NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47H,3-11,13,15-17,19,21-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-/t47-/m1/s1",BVWWSZDYCRTKCY,YVQAKMNISA,N,"PE(20:2(11Z,14Z)/24:0)",BVWWSZDYCRTKCY-YVQAKMNISA-N
HMDB09311,853.656055437,C49H92NO8P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47H,3-11,13,15-16,21-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-/t47-/m1/s1",IGULVYSWFMRPQD,DIBSRUJTSA,N,"PE(20:2(11Z,14Z)/24:1(15Z))",IGULVYSWFMRPQD-DIBSRUJTSA-N
HMDB09312,727.551590367,C41H78NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,33,36,40H,3-10,12,14-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,36-33-/t40-/m1/s1",MPCVLWFEQHTFHH,YKKPZWMYSA,N,"PE(20:2(11Z,14Z)/P-16:0)",MPCVLWFEQHTFHH-YKKPZWMYSA-N
HMDB09313,755.582890495,C43H82NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,35,38,42H,3-10,12,14-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,38-35-/t42-/m1/s1",SSVPEUWHHFKSEB,IRSYNFPBSA,N,"PE(20:2(11Z,14Z)/P-18:0)",SSVPEUWHHFKSEB-IRSYNFPBSA-N
HMDB09314,753.567240431,C43H80NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,35,38,42H,3-10,12,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,38-35-/t42-/m1/s1",AFRTZFQQOQHPJT,CCWLTMEVSA,N,"PE(20:2(11Z,14Z)/P-18:1(11Z))",AFRTZFQQOQHPJT-CCWLTMEVSA-N
HMDB09315,753.567240431,C43H80NO7P,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,35,38,42H,3-10,12,14-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,38-35-/t42-/m1/s1",IBIDTCQKTHZZPM,ZTCNOODVSA,N,"PE(20:2(11Z,14Z)/P-18:1(9Z))",IBIDTCQKTHZZPM-ZTCNOODVSA-N
HMDB09316,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h16-17,19-20,23,25,37H,3-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b17-16-,20-19-,25-23-/t37-/m1/s1",MJCBUQNQSMWXOI,NRNMZNASSA,N,"PE(20:3(5Z,8Z,11Z)/14:0)",MJCBUQNQSMWXOI-NRNMZNASSA-N
HMDB09317,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10,12,16-17,19-20,23,25,37H,3-9,11,13-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b12-10-,17-16-,20-19-,25-23-/t37-/m1/s1",NMKZGMVTFZMZAR,HNHHFIIWSA,N,"PE(20:3(5Z,8Z,11Z)/14:1(9Z))",NMKZGMVTFZMZAR-HNHHFIIWSA-N
HMDB09318,727.515204861,C40H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h17-18,20-21,24,26,38H,3-16,19,22-23,25,27-37,41H2,1-2H3,(H,44,45)/b18-17-,21-20-,26-24-/t38-/m1/s1",PSURXMZIAXZYTD,GDDGCPKUSA,N,"PE(20:3(5Z,8Z,11Z)/15:0)",PSURXMZIAXZYTD-GDDGCPKUSA-N
HMDB09319,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,20,22,25,27,39H,3-16,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b18-17-,22-20-,27-25-/t39-/m1/s1",OKKOTEXYXPSGMF,VDRIIYAVSA,N,"PE(20:3(5Z,8Z,11Z)/16:0)",OKKOTEXYXPSGMF-VDRIIYAVSA-N
HMDB09320,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16-18,20,22,25,27,39H,3-13,15,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b16-14-,18-17-,22-20-,27-25-/t39-/m1/s1",YAFUPYGISQQWLZ,XLLSESBPSA,N,"PE(20:3(5Z,8Z,11Z)/16:1(9Z))",YAFUPYGISQQWLZ-XLLSESBPSA-N
HMDB09321,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17,19,22-23,27,29,41H,3-16,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b19-17-,23-22-,29-27-/t41-/m1/s1",VFSMZSWKKPWQQW,SGLNQUQJSA,N,"PE(20:3(5Z,8Z,11Z)/18:0)",VFSMZSWKKPWQQW-SGLNQUQJSA-N
HMDB09322,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22-23,27,29,41H,3-13,15,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b16-14-,19-17-,23-22-,29-27-/t41-/m1/s1",HEZIDBZRKDQQLI,HAPPWYIRSA,N,"PE(20:3(5Z,8Z,11Z)/18:1(11Z))",HEZIDBZRKDQQLI-HAPPWYIRSA-N
HMDB09323,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17-19,21-23,27,29,41H,3-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b19-17-,21-18-,23-22-,29-27-/t41-/m1/s1",CNGGAQLBGKHOCL,PIBPSNQISA,N,"PE(20:3(5Z,8Z,11Z)/18:1(9Z))",CNGGAQLBGKHOCL-PIBPSNQISA-N
HMDB09324,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-23,27,29,41H,3-11,13,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1",WINPCISQHBENPR,YLCNVHHMSA,N,"PE(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",WINPCISQHBENPR-YLCNVHHMSA-N
HMDB09325,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-23,26-29,41H,3-11,13,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1",NPCBFYGJTIPFKS,XRINCNGYSA,N,"PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",NPCBFYGJTIPFKS-XRINCNGYSA-N
HMDB09326,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-23,27,29,41H,3-5,7,9-11,13,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1",FMIUPKYSDNZHTA,BEBRAUHWSA,N,"PE(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",FMIUPKYSDNZHTA-BEBRAUHWSA-N
HMDB09327,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-23,26-29,41H,3-5,7,9-11,13,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1",XNPXFYXYDHCVAI,XZEJNTGOSA,N,"PE(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",XNPXFYXYDHCVAI-XZEJNTGOSA-N
HMDB09328,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,23,25,29,31,43H,3-16,18,20-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b19-17-,25-23-,31-29-/t43-/m1/s1",RAKYHVMACSFCEI,QQEPQDJFSA,N,"PE(20:3(5Z,8Z,11Z)/20:0)",RAKYHVMACSFCEI-QQEPQDJFSA-N
HMDB09329,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23,25,29,31,43H,3-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b19-17-,20-18-,25-23-,31-29-/t43-/m1/s1",RUOGJLKOZLGYHK,RFEVMYKHSA,N,"PE(20:3(5Z,8Z,11Z)/20:1(11Z))",RUOGJLKOZLGYHK-RFEVMYKHSA-N
HMDB09330,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23,25,29,31,43H,3-11,13,15-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,25-23-,31-29-/t43-/m1/s1",PYFNLOPDTZXGTN,FOCBNLSVSA,N,"PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))",PYFNLOPDTZXGTN-FOCBNLSVSA-N
HMDB09331,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23-26,29-32,43H,3-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1",BAZHKHFAYOGVAJ,UIQAKJDRSA,N,"PE(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",BAZHKHFAYOGVAJ-UIQAKJDRSA-N
HMDB09332,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23-26,29,31,43H,3-11,13,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1",WEHMGSDVHYNINH,GEXNIIJGSA,N,"PE(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))",WEHMGSDVHYNINH-GEXNIIJGSA-N
HMDB09333,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23-26,29-32,43H,3-11,13,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1",LPGDQXZKDWNPLT,ULTSEJGKSA,N,"PE(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",LPGDQXZKDWNPLT-ULTSEJGKSA-N
HMDB09334,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,23-26,29,31,43H,3-5,7,9-11,13,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1",MPEZYWXQRZSYHA,KDDZJOHCSA,N,"PE(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",MPEZYWXQRZSYHA-KDDZJOHCSA-N
HMDB09335,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,23-26,29-32,43H,3-5,7,9-11,13,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1",JAKWVEMOTPFTDK,NIPJMSNZSA,N,"PE(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JAKWVEMOTPFTDK-NIPJMSNZSA-N
HMDB09336,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,25,27,31,33,45H,3-17,19,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b20-18-,27-25-,33-31-/t45-/m1/s1",MSVCILSOLLUAMO,XFSNCHLFSA,N,"PE(20:3(5Z,8Z,11Z)/22:0)",MSVCILSOLLUAMO-XFSNCHLFSA-N
HMDB09337,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,25,27,31,33,45H,3-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b19-17-,20-18-,27-25-,33-31-/t45-/m1/s1",CVFPDQMGCKGCPE,DAAUVCJTSA,N,"PE(20:3(5Z,8Z,11Z)/22:1(13Z))",CVFPDQMGCKGCPE-DAAUVCJTSA-N
HMDB09338,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,25,27,31,33,45H,3-10,12,14-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1",YFYQTVLRZLJFGD,UBKNWLFISA,N,"PE(20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",YFYQTVLRZLJFGD-UBKNWLFISA-N
HMDB09339,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24-25,27-28,30-31,33,45H,3-10,12,14-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1",ZTOUHJKESUEGOH,CGXGRTEUSA,N,"PE(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",ZTOUHJKESUEGOH-CGXGRTEUSA-N
HMDB09340,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-10,12,14-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1",BOWDLXDTEKIBBV,WSIIWYRLSA,N,"PE(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BOWDLXDTEKIBBV-WSIIWYRLSA-N
HMDB09341,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24-25,27-28,30-31,33,45H,3-4,6,8-10,12,14-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1",QQAIGNKNIYJALE,GLSMHJQZSA,N,"PE(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QQAIGNKNIYJALE-GLSMHJQZSA-N
HMDB09342,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-4,6,8-10,12,14-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1",UODILDGVDBUDJO,MJSTXWNFSA,N,"PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UODILDGVDBUDJO-MJSTXWNFSA-N
HMDB09343,853.656055437,C49H92NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,27,29,33,35,47H,3-17,19,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b20-18-,29-27-,35-33-/t47-/m1/s1",PJGYIFIVIUJPDV,SUAWEIFCSA,N,"PE(20:3(5Z,8Z,11Z)/24:0)",PJGYIFIVIUJPDV-SUAWEIFCSA-N
HMDB09344,851.640405373,C49H90NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,27,29,33,35,47H,3-16,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b19-17-,20-18-,29-27-,35-33-/t47-/m1/s1",FVVUJOLDDSQWRT,OWDRSBROSA,N,"PE(20:3(5Z,8Z,11Z)/24:1(15Z))",FVVUJOLDDSQWRT-OWDRSBROSA-N
HMDB09345,725.535940303,C41H76NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,21-22,26,28,33,36,40H,3-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,22-21-,28-26-,36-33-/t40-/m1/s1",XSAOJHHWYPVZAT,OVKADEIYSA,N,"PE(20:3(5Z,8Z,11Z)/P-16:0)",XSAOJHHWYPVZAT-OVKADEIYSA-N
HMDB09346,753.567240431,C43H80NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,35,38,42H,3-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",GOKCOIYNLBLTCL,FTHMHTRFSA,N,"PE(20:3(5Z,8Z,11Z)/P-18:0)",GOKCOIYNLBLTCL-FTHMHTRFSA-N
HMDB09347,751.551590367,C43H78NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,35,38,42H,3-13,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",SSRFBEKXNQSNLN,PWQUOMSQSA,N,"PE(20:3(5Z,8Z,11Z)/P-18:1(11Z))",SSRFBEKXNQSNLN-PWQUOMSQSA-N
HMDB09348,751.551590367,C43H78NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,22,24,28,30,35,38,42H,3-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1",WPZCPDFKKPJDKP,OBYIALEPSA,N,"PE(20:3(5Z,8Z,11Z)/P-18:1(9Z))",WPZCPDFKKPJDKP-OBYIALEPSA-N
HMDB09349,713.499554797,C39H72NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,37H,3-10,12,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-,20-19-/t37-/m1/s1",IJNDSWKCGGAYCT,OWNGUKFPSA,N,"PE(20:3(8Z,11Z,14Z)/14:0)",IJNDSWKCGGAYCT-OWNGUKFPSA-N
HMDB09350,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,37H,3-9,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-,20-19-/t37-/m1/s1",FLYPZXCWTTVHAK,UGDGXCRESA,N,"PE(20:3(8Z,11Z,14Z)/14:1(9Z))",FLYPZXCWTTVHAK-UGDGXCRESA-N
HMDB09351,727.515204861,C40H74NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,38H,3-10,12,14-16,19,22-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-,21-20-/t38-/m1/s1",POQSUCXVUTUHBZ,IRHHTPKQSA,N,"PE(20:3(8Z,11Z,14Z)/15:0)",POQSUCXVUTUHBZ-IRHHTPKQSA-N
HMDB09352,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,39H,3-10,12,14-16,19,21,23-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-,22-20-/t39-/m1/s1",UMJNPEIBPLXICQ,CISNCOODSA,N,"PE(20:3(8Z,11Z,14Z)/16:0)",UMJNPEIBPLXICQ-CISNCOODSA-N
HMDB09353,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,39H,3-10,12,15,19,21,23-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,22-20-/t39-/m1/s1",ONEYROPFKYWNFZ,LEKKGRSHSA,N,"PE(20:3(8Z,11Z,14Z)/16:1(9Z))",ONEYROPFKYWNFZ-LEKKGRSHSA-N
HMDB09354,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,41H,3-10,12,14-16,18,20-21,24-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,23-22-/t41-/m1/s1",AYXGHIQPMDYMJC,AHMBLZLYSA,N,"PE(20:3(8Z,11Z,14Z)/18:0)",AYXGHIQPMDYMJC-AHMBLZLYSA-N
HMDB09355,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,41H,3-10,12,15,18,20-21,24-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-,23-22-/t41-/m1/s1",AZBQETWHIPZCRW,WMCAVMQMSA,N,"PE(20:3(8Z,11Z,14Z)/18:1(11Z))",AZBQETWHIPZCRW-WMCAVMQMSA-N
HMDB09356,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,41H,3-10,12,14-16,20,24-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,23-22-/t41-/m1/s1",FAXNOMFRCOIDAY,UMHZRRRASA,N,"PE(20:3(8Z,11Z,14Z)/18:1(9Z))",FAXNOMFRCOIDAY-UMHZRRRASA-N
HMDB09357,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,41H,3-10,15-16,20,24-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,23-22-/t41-/m1/s1",IFXHBQGHSNUBCV,DFYKYYSYSA,N,"PE(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))",IFXHBQGHSNUBCV-DFYKYYSYSA-N
HMDB09358,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,41H,3-10,15-16,20,24-25,27,29-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t41-/m1/s1",ZQNFRTKEBTVTHP,RXYYQAQXSA,N,"PE(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",ZQNFRTKEBTVTHP-RXYYQAQXSA-N
HMDB09359,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,41H,3-5,7,9-10,15-16,20,24-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t41-/m1/s1",HHFGUIMMEZWSMH,DBMNPRCESA,N,"PE(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",HHFGUIMMEZWSMH-DBMNPRCESA-N
HMDB09360,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,41H,3-5,7,9-10,15-16,20,24-25,27,29-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t41-/m1/s1",CZBKTNZZAXGZJE,GGZDBCKASA,N,"PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",CZBKTNZZAXGZJE-GGZDBCKASA-N
HMDB09361,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,43H,3-10,12,14-16,18,20-22,24,26-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,25-23-/t43-/m1/s1",HICGVCOCXCUXIB,IQFBCVBPSA,N,"PE(20:3(8Z,11Z,14Z)/20:0)",HICGVCOCXCUXIB-IQFBCVBPSA-N
HMDB09362,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,43H,3-10,12,14-16,21-22,24,26-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,25-23-/t43-/m1/s1",CVPHRRKVQKYWSZ,TUMWYCLHSA,N,"PE(20:3(8Z,11Z,14Z)/20:1(11Z))",CVPHRRKVQKYWSZ-TUMWYCLHSA-N
HMDB09363,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,43H,3-10,15-16,21-22,24,26-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-/t43-/m1/s1",BYVQCOREHGDXRD,WCABBIDISA,N,"PE(20:3(8Z,11Z,14Z)/20:2(11Z,14Z))",BYVQCOREHGDXRD-WCABBIDISA-N
HMDB09364,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,30,32,43H,3-10,12,14-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1",ZCSXAGHHPGSHEO,LAWLZPLCSA,N,"PE(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",ZCSXAGHHPGSHEO-LAWLZPLCSA-N
HMDB09365,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,43H,3-10,15-16,21-22,27-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t43-/m1/s1",IITNAILJCRJNCB,HSHGBJLXSA,N,"PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",IITNAILJCRJNCB-HSHGBJLXSA-N
HMDB09366,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,30,32,43H,3-10,15-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1",CPVZVPMWOUNPLY,RWYXZJOVSA,N,"PE(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",CPVZVPMWOUNPLY-RWYXZJOVSA-N
HMDB09367,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,43H,3-5,7,9-10,15-16,21-22,27-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t43-/m1/s1",KZUIZVKIOIETOF,ZQZLDATGSA,N,"PE(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",KZUIZVKIOIETOF-ZQZLDATGSA-N
HMDB09368,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,30,32,43H,3-5,7,9-10,15-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1",LBHCPUQJFAPNQP,VTYCKMDNSA,N,"PE(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LBHCPUQJFAPNQP-VTYCKMDNSA-N
HMDB09369,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,45H,3-11,13,15-17,19,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-,27-25-/t45-/m1/s1",PASUZHZNPJBOAG,RBORYVNRSA,N,"PE(20:3(8Z,11Z,14Z)/22:0)",PASUZHZNPJBOAG-RBORYVNRSA-N
HMDB09370,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,45H,3-11,13,15-16,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-,27-25-/t45-/m1/s1",CTHIHAPEEJOCTJ,HCLJMHOKSA,N,"PE(20:3(8Z,11Z,14Z)/22:1(13Z))",CTHIHAPEEJOCTJ-HCLJMHOKSA-N
HMDB09371,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,25,27,45H,3-10,15-16,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,27-25-/t45-/m1/s1",UIYAOYMNOHTIDX,JKIIUIJYSA,N,"PE(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))",UIYAOYMNOHTIDX-JKIIUIJYSA-N
HMDB09372,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30,45H,3-10,15-16,21,23,26,29,31-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t45-/m1/s1",JZYZUKPXLKRFTJ,CAPKVPDHSA,N,"PE(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",JZYZUKPXLKRFTJ-CAPKVPDHSA-N
HMDB09373,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30,34,36,45H,3-10,15-16,21,23,26,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t45-/m1/s1",IDFSWSQGCCXBRE,VKGOJAHJSA,N,"PE(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IDFSWSQGCCXBRE-VKGOJAHJSA-N
HMDB09374,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,45H,3-4,6,8-10,15-16,21,23,26,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t45-/m1/s1",HKJKZOPWEUWLBC,KHGRYOFWSA,N,"PE(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HKJKZOPWEUWLBC-KHGRYOFWSA-N
HMDB09375,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,34,36,45H,3-4,6,8-10,15-16,21,23,26,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t45-/m1/s1",LUTNXVFWQGNCPZ,IBWOFFDZSA,N,"PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LUTNXVFWQGNCPZ-IBWOFFDZSA-N
HMDB09376,853.656055437,C49H92NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,47H,3-11,13,15-17,19,21-26,28,30-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,29-27-/t47-/m1/s1",MAYDWIZSJUSDNQ,GMVQFAJDSA,N,"PE(20:3(8Z,11Z,14Z)/24:0)",MAYDWIZSJUSDNQ-GMVQFAJDSA-N
HMDB09377,851.640405373,C49H90NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,47H,3-11,13,15-16,21-26,28,30-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,29-27-/t47-/m1/s1",GUMSBNXGPBAONF,UBRVPYPMSA,N,"PE(20:3(8Z,11Z,14Z)/24:1(15Z))",GUMSBNXGPBAONF-UBRVPYPMSA-N
HMDB09378,725.535940303,C41H76NO7P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,33,36,40H,3-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,36-33-/t40-/m1/s1",VHAWQVDBQCJVRY,UKFMZXQISA,N,"PE(20:3(8Z,11Z,14Z)/P-16:0)",VHAWQVDBQCJVRY-UKFMZXQISA-N
HMDB09379,753.567240431,C43H80NO7P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,35,38,42H,3-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,24-22-,38-35-/t42-/m1/s1",CWPKVJPBYGQUHE,MTROFRMRSA,N,"PE(20:3(8Z,11Z,14Z)/P-18:0)",CWPKVJPBYGQUHE-MTROFRMRSA-N
HMDB09380,751.551590367,C43H78NO7P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,35,38,42H,3-10,12,15,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,24-22-,38-35-/t42-/m1/s1",DOPONYDZZQWONJ,FWNCOMTNSA,N,"PE(20:3(8Z,11Z,14Z)/P-18:1(11Z))",DOPONYDZZQWONJ-FWNCOMTNSA-N
HMDB09381,751.551590367,C43H78NO7P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,35,38,42H,3-10,12,14-16,21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,24-22-,38-35-/t42-/m1/s1",XHTFTURYMCLZGO,ZTRSCIFDSA,N,"PE(20:3(8Z,11Z,14Z)/P-18:1(9Z))",XHTFTURYMCLZGO-ZTRSCIFDSA-N
HMDB09382,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,23,25,37H,3-10,12,14-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-,20-19-,25-23-/t37-/m1/s1",SMMLJVRDXGMNEE,DDQYBZRVSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/14:0)",SMMLJVRDXGMNEE-DDQYBZRVSA-N
HMDB09383,709.468254669,C39H68NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,23,25,37H,3-9,14-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-,20-19-,25-23-/t37-/m1/s1",JHYALYPCRVUKLW,NARJJQTOSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))",JHYALYPCRVUKLW-NARJJQTOSA-N
HMDB09384,725.499554797,C40H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,38H,3-10,12,14-16,19,22-23,25,27-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-,21-20-,26-24-/t38-/m1/s1",ZCLVHBFNNXEQCL,UAAZYTQRSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/15:0)",ZCLVHBFNNXEQCL-UAAZYTQRSA-N
HMDB09385,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,25,27,39H,3-10,12,14-16,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-,22-20-,27-25-/t39-/m1/s1",DUQDVNACTOXOJA,KTKXOIIHSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/16:0)",DUQDVNACTOXOJA-KTKXOIIHSA-N
HMDB09386,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,25,27,39H,3-10,12,15,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,22-20-,27-25-/t39-/m1/s1",KRIQKSFNIOZHLE,WCBZMFJDSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",KRIQKSFNIOZHLE-WCBZMFJDSA-N
HMDB09387,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,27,29,41H,3-10,12,14-16,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,23-22-,29-27-/t41-/m1/s1",FKCXXHSNNJJOHT,WKYUVXQZSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/18:0)",FKCXXHSNNJJOHT-WKYUVXQZSA-N
HMDB09388,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,27,29,41H,3-10,12,15,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-,23-22-,29-27-/t41-/m1/s1",TXFWFMDGCDNTTP,OPOGBLJCSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",TXFWFMDGCDNTTP-OPOGBLJCSA-N
HMDB09389,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,41H,3-10,12,14-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1",VFUVYNGTMNUBMF,ZRVIQYDLSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",VFUVYNGTMNUBMF-ZRVIQYDLSA-N
HMDB09390,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,27,29,41H,3-10,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1",VRBJSZDBPQLNEM,PFTGJCAASA,N,"PE(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",VRBJSZDBPQLNEM-PFTGJCAASA-N
HMDB09391,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,41H,3-10,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1",AQDRRHLIQNDRRO,POCITVHKSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",AQDRRHLIQNDRRO-POCITVHKSA-N
HMDB09392,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,27,29,41H,3-5,7,9-10,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1",CBWHTIRQEJCNCV,QFBUELFXSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",CBWHTIRQEJCNCV-QFBUELFXSA-N
HMDB09393,759.483904733,C43H70NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,41H,3-5,7,9-10,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1",IDNSQRFBYWFUII,APLPLYQJSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",IDNSQRFBYWFUII-APLPLYQJSA-N
HMDB09394,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,43H,3-10,12,14-16,18,20-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,25-23-,31-29-/t43-/m1/s1",WLTBPSUTBXIPBI,YCFXMPIKSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/20:0)",WLTBPSUTBXIPBI-YCFXMPIKSA-N
HMDB09395,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,43H,3-10,12,14-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,25-23-,31-29-/t43-/m1/s1",BUIZMIHPZOBMLF,RXMGPZFASA,N,"PE(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",BUIZMIHPZOBMLF-RXMGPZFASA-N
HMDB09396,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,43H,3-10,15-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t43-/m1/s1",OKMXQZJAVDYGOT,ZOULMMDESA,N,"PE(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))",OKMXQZJAVDYGOT-ZOULMMDESA-N
HMDB09397,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,29-32,43H,3-10,12,14-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1",CIUUBTODGJJDIL,KPIHBUISSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",CIUUBTODGJJDIL-KPIHBUISSA-N
HMDB09398,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29,31,43H,3-10,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1",DGSOSGWZWRIJEU,KUJSZIQWSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",DGSOSGWZWRIJEU-KUJSZIQWSA-N
HMDB09399,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,43H,3-10,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1",JTERLNYVBOZRHI,PPBJBQABSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",JTERLNYVBOZRHI-PPBJBQABSA-N
HMDB09400,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29,31,43H,3-5,7,9-10,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1",DMMKBSPPZBGKPU,AZYZNBKOSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",DMMKBSPPZBGKPU-AZYZNBKOSA-N
HMDB09401,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,43H,3-5,7,9-10,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1",XFOUDFBTMPRKPL,KXHFAWCQSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XFOUDFBTMPRKPL-KXHFAWCQSA-N
HMDB09402,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,45H,3-11,13,15-17,19,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-,27-25-,33-31-/t45-/m1/s1",ZYBQOFNROLAHHO,LKOPYLAKSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/22:0)",ZYBQOFNROLAHHO-LKOPYLAKSA-N
HMDB09403,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,45H,3-11,13,15-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1",TWHNEZFWHWTLDX,SGGBRVPCSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",TWHNEZFWHWTLDX-SGGBRVPCSA-N
HMDB09404,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,25,27,31,33,45H,3-10,15-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1",AAISZNAPQHMCLT,UNCBVPCZSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",AAISZNAPQHMCLT-UNCBVPCZSA-N
HMDB09405,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30-31,33,45H,3-10,15-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1",IAMDYOOTWAQMME,DVRHFKRZSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",IAMDYOOTWAQMME-DVRHFKRZSA-N
HMDB09406,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-10,15-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1",LQXLBMGVYLCFDW,FVTXYARZSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LQXLBMGVYLCFDW-FVTXYARZSA-N
HMDB09407,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33,45H,3-4,6,8-10,15-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1",CQOFICOWSWQGBK,BAGXOSJQSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CQOFICOWSWQGBK-BAGXOSJQSA-N
HMDB09408,811.515204861,C47H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-4,6,8-10,15-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1",KXAGMEXWNHUIQR,OOPACUNWSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KXAGMEXWNHUIQR-OOPACUNWSA-N
HMDB09409,851.640405373,C49H90NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,33,35,47H,3-11,13,15-17,19,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,29-27-,35-33-/t47-/m1/s1",HZWIJGSXTNZIRC,RGKJGVIDSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/24:0)",HZWIJGSXTNZIRC-RGKJGVIDSA-N
HMDB09410,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,33,35,47H,3-11,13,15-16,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,29-27-,35-33-/t47-/m1/s1",BQORDIXFUSRFGZ,NGQZWFJJSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",BQORDIXFUSRFGZ-NGQZWFJJSA-N
HMDB09411,723.520290239,C41H74NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,33,36,40H,3-10,12,14-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,28-26-,36-33-/t40-/m1/s1",BVLZMCLCCOLUNE,MAIXUNBTSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/P-16:0)",BVLZMCLCCOLUNE-MAIXUNBTSA-N
HMDB09412,751.551590367,C43H78NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,35,38,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",VZEYVZNRVARGGK,FXMFQVEGSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/P-18:0)",VZEYVZNRVARGGK-FXMFQVEGSA-N
HMDB09413,749.535940303,C43H76NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,35,38,42H,3-10,12,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",VWNWYWMBTKYEEL,SXDACRMGSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))",VWNWYWMBTKYEEL-SXDACRMGSA-N
HMDB09414,749.535940303,C43H76NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,35,38,42H,3-10,12,14-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1",HEFZEWRVODCWNM,OKBRKQIJSA,N,"PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(9Z))",HEFZEWRVODCWNM-OKBRKQIJSA-N
HMDB09415,711.483904733,C39H70NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,37H,3-4,6,8-10,12,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,17-16-,20-19-/t37-/m1/s1",LQJWFCHOVXTPBY,ITHHLQSFSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/14:0)",LQJWFCHOVXTPBY-ITHHLQSFSA-N
HMDB09416,709.468254669,C39H68NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,37H,3-4,6,8-9,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b7-5-,12-10-,13-11-,17-16-,20-19-/t37-/m1/s1",YRQWREKIIWWPAM,UQQSXITBSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/14:1(9Z))",YRQWREKIIWWPAM-UQQSXITBSA-N
HMDB09417,725.499554797,C40H72NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,38H,3-4,6,8-10,12,14-16,19,22-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,18-17-,21-20-/t38-/m1/s1",SYWAKMZHNCTHMA,DEDYATDTSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/15:0)",SYWAKMZHNCTHMA-DEDYATDTSA-N
HMDB09418,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,39H,3-4,6,8-10,12,14-16,19,21,23-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-,22-20-/t39-/m1/s1",HDJMKNNLHVVJES,JGGKAAGMSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/16:0)",HDJMKNNLHVVJES-JGGKAAGMSA-N
HMDB09419,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,39H,3-4,6,8-10,12,15,19,21,23-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-,22-20-/t39-/m1/s1",FQPQKTMNKDRIPA,PLSDOBAZSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/16:1(9Z))",FQPQKTMNKDRIPA-PLSDOBAZSA-N
HMDB09420,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,41H,3-4,6,8-10,12,14-16,18,20-21,24-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,23-22-/t41-/m1/s1",JUYYWEDATPYDSS,FGIXMGIFSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/18:0)",JUYYWEDATPYDSS-FGIXMGIFSA-N
HMDB09421,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,41H,3-4,6,8-10,12,15,18,20-21,24-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,19-17-,23-22-/t41-/m1/s1",DKEUOIONQWUMCB,JBXKSKBRSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",DKEUOIONQWUMCB-JBXKSKBRSA-N
HMDB09422,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,41H,3-4,6,8-10,12,14-16,20,24-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,21-18-,23-22-/t41-/m1/s1",DUDIINBNPPFXCH,YLZXUPISSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",DUDIINBNPPFXCH-YLZXUPISSA-N
HMDB09423,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,41H,3-4,6,8-10,15-16,20,24-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-/t41-/m1/s1",HLXQUKRDCPSIEH,NOFDWUEQSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",HLXQUKRDCPSIEH-NOFDWUEQSA-N
HMDB09424,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,41H,3-4,6,8-10,15-16,20,24-25,27,29-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t41-/m1/s1",RCRNLXYXKGILFT,NIRHSPSGSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",RCRNLXYXKGILFT-NIRHSPSGSA-N
HMDB09425,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,41H,3-4,9-10,15-16,20,24-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t41-/m1/s1",PHRQTHYWYZDFJL,VDGOBZISSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",PHRQTHYWYZDFJL-VDGOBZISSA-N
HMDB09426,759.483904733,C43H70NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,41H,3-4,9-10,15-16,20,24-25,27,29-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t41-/m1/s1",RYYYESISLNMOCC,ADYFFADGSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",RYYYESISLNMOCC-ADYFFADGSA-N
HMDB09427,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,43H,3-4,6,8-10,12,14-16,18,20-22,24,26-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,25-23-/t43-/m1/s1",QIMXBAASHOXOCT,PUMRHJMJSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/20:0)",QIMXBAASHOXOCT-PUMRHJMJSA-N
HMDB09428,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,43H,3-4,6,8-10,12,14-16,21-22,24,26-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,20-18-,25-23-/t43-/m1/s1",IZEJYRQAFUAOSD,APQWLYTDSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",IZEJYRQAFUAOSD-APQWLYTDSA-N
HMDB09429,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,43H,3-4,6,8-10,15-16,21-22,24,26-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-/t43-/m1/s1",AONMKBNBGDQZEW,CTPDUYQJSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))",AONMKBNBGDQZEW-CTPDUYQJSA-N
HMDB09430,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,30,32,43H,3-4,6,8-10,12,14-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1",RKKWDCIBIJQCGA,BEVOETCUSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",RKKWDCIBIJQCGA-BEVOETCUSA-N
HMDB09431,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,43H,3-4,6,8-10,15-16,21-22,27-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t43-/m1/s1",ZRXHKVPHNYSELA,QTLYXCFKSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))",ZRXHKVPHNYSELA-QTLYXCFKSA-N
HMDB09432,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,30,32,43H,3-4,6,8-10,15-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1",LHQHEOHXSFKLKD,RWILWXDDSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",LHQHEOHXSFKLKD-RWILWXDDSA-N
HMDB09433,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,43H,3-4,9-10,15-16,21-22,27-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t43-/m1/s1",AXKKDIYHTGSBKS,GCEJQXIWSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",AXKKDIYHTGSBKS-GCEJQXIWSA-N
HMDB09434,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,30,32,43H,3-4,9-10,15-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1",VIPNJNOYNFESAL,STQXCLOISA,N,"PE(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VIPNJNOYNFESAL-STQXCLOISA-N
HMDB09435,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,45H,3-5,7,9-11,13,15-17,19,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,20-18-,27-25-/t45-/m1/s1",WZHJDSMOGLFDMU,CJTAAHPMSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/22:0)",WZHJDSMOGLFDMU-CJTAAHPMSA-N
HMDB09436,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,45H,3-5,7,9-11,13,15-16,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,20-18-,27-25-/t45-/m1/s1",LYPVIYGLNJKBJX,FWYGAIBBSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/22:1(13Z))",LYPVIYGLNJKBJX-FWYGAIBBSA-N
HMDB09437,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,25,27,45H,3-5,7,9-10,15-16,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-/t45-/m1/s1",FFVDWUOOKSRAKO,HTOUQHFMSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",FFVDWUOOKSRAKO-HTOUQHFMSA-N
HMDB09438,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30,45H,3-5,7,9-10,15-16,21,23,26,29,31-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t45-/m1/s1",KHXORTVZNIOGEC,OLMFGRMKSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",KHXORTVZNIOGEC-OLMFGRMKSA-N
HMDB09439,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30,34,36,45H,3-5,7,9-10,15-16,21,23,26,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t45-/m1/s1",UDWQUDHAKHYUND,WQTCASRHSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UDWQUDHAKHYUND-WQTCASRHSA-N
HMDB09440,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30,45H,3-4,9-10,15-16,21,23,26,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t45-/m1/s1",JLFBIHQMUDHBEC,OSPMLGCWSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JLFBIHQMUDHBEC-OSPMLGCWSA-N
HMDB09441,811.515204861,C47H74NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30,34,36,45H,3-4,9-10,15-16,21,23,26,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t45-/m1/s1",LMWGIQYUPHCPHA,ZJYYOWLNSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LMWGIQYUPHCPHA-ZJYYOWLNSA-N
HMDB09442,851.640405373,C49H90NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,27,29,47H,3-5,7,9-11,13,15-17,19,21-26,28,30-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,29-27-/t47-/m1/s1",BZNYOMFUNDVBQN,IYQHXBBNSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/24:0)",BZNYOMFUNDVBQN-IYQHXBBNSA-N
HMDB09443,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,27,29,47H,3-5,7,9-11,13,15-16,21-26,28,30-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,29-27-/t47-/m1/s1",SRWBSAWLJAFTCD,RGDWEEBWSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/24:1(15Z))",SRWBSAWLJAFTCD-RGDWEEBWSA-N
HMDB09444,723.520290239,C41H74NO7P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,33,36,40H,3-4,6,8-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b7-5-,13-11-,19-17-,22-21-,36-33-/t40-/m1/s1",SRUAKYVBZXWUPJ,BUODQXDTSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/P-16:0)",SRUAKYVBZXWUPJ-BUODQXDTSA-N
HMDB09445,751.551590367,C43H78NO7P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,35,38,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,24-22-,38-35-/t42-/m1/s1",ZRQPYJXAEPDRDM,VZBWJDOASA,N,"PE(20:4(8Z,11Z,14Z,17Z)/P-18:0)",ZRQPYJXAEPDRDM-VZBWJDOASA-N
HMDB09446,749.535940303,C43H76NO7P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,35,38,42H,3-4,6,8-10,12,15,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,16-14-,19-17-,24-22-,38-35-/t42-/m1/s1",VNAGXSBETMDLKL,CYPZFAGSSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z))",VNAGXSBETMDLKL-CYPZFAGSSA-N
HMDB09447,749.535940303,C43H76NO7P,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,35,38,42H,3-4,6,8-10,12,14-16,21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,20-18-,24-22-,38-35-/t42-/m1/s1",IQSPCSIULMCRPM,ZAJUHDLGSA,N,"PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))",IQSPCSIULMCRPM-ZAJUHDLGSA-N
HMDB09448,709.468254669,C39H68NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23,25,37H,3-4,6,8-10,12,14-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,17-16-,20-19-,25-23-/t37-/m1/s1",OQWZPIYVNUSNLG,KQKHHBPSSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:0)",OQWZPIYVNUSNLG-KQKHHBPSSA-N
HMDB09449,707.452604605,C39H66NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C39H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,23,25,37H,3-4,6,8-9,14-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b7-5-,12-10-,13-11-,17-16-,20-19-,25-23-/t37-/m1/s1",INZZDOPONVNLMI,UHROEHQESA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))",INZZDOPONVNLMI-UHROEHQESA-N
HMDB09450,723.483904733,C40H70NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,38H,3-4,6,8-10,12,14-16,19,22-23,25,27-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,18-17-,21-20-,26-24-/t38-/m1/s1",PTVLNAMVOQSVMI,HGOJVSOMSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:0)",PTVLNAMVOQSVMI-HGOJVSOMSA-N
HMDB09451,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,25,27,39H,3-4,6,8-10,12,14-16,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-,22-20-,27-25-/t39-/m1/s1",SXABHBMHYAUOIE,WNNBJKQXSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/16:0)",SXABHBMHYAUOIE-WNNBJKQXSA-N
HMDB09452,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,25,27,39H,3-4,6,8-10,12,15,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-,22-20-,27-25-/t39-/m1/s1",VYPWZQWJGOEURR,ZTPIRQMOSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))",VYPWZQWJGOEURR-ZTPIRQMOSA-N
HMDB09453,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,27,29,41H,3-4,6,8-10,12,14-16,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,23-22-,29-27-/t41-/m1/s1",ZAVFAQIEEDHGRI,JVYSIHAYSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)",ZAVFAQIEEDHGRI-JVYSIHAYSA-N
HMDB09454,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,27,29,41H,3-4,6,8-10,12,15,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,19-17-,23-22-,29-27-/t41-/m1/s1",SSOGDYNSOWUGNO,GFWFKNDTSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))",SSOGDYNSOWUGNO-GFWFKNDTSA-N
HMDB09455,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,27,29,41H,3-4,6,8-10,12,14-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1",IFUXMIFACJBCIO,ASRSURRLSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",IFUXMIFACJBCIO-ASRSURRLSA-N
HMDB09456,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,27,29,41H,3-4,6,8-10,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1",YILXSOHHSKWUKO,ATGPSWBZSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",YILXSOHHSKWUKO-ATGPSWBZSA-N
HMDB09457,759.483904733,C43H70NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,41H,3-4,6,8-10,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1",MBBQSNLOZALUSQ,TUYAJEPASA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",MBBQSNLOZALUSQ-TUYAJEPASA-N
HMDB09458,759.483904733,C43H70NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,27,29,41H,3-4,9-10,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1",GMXQWLRTVQXKGZ,KTYLEUTMSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",GMXQWLRTVQXKGZ-KTYLEUTMSA-N
HMDB09459,757.468254669,C43H68NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,41H,3-4,9-10,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1",YRGNAAUEWPZWPK,LFIDQIJHSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",YRGNAAUEWPZWPK-LFIDQIJHSA-N
HMDB09460,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,43H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,25-23-,31-29-/t43-/m1/s1",HDCWJEDGPFQUKG,BUWHGKJASA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)",HDCWJEDGPFQUKG-BUWHGKJASA-N
HMDB09461,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,43H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t43-/m1/s1",GJTWCHYULIVCJN,PQKUWZMOSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",GJTWCHYULIVCJN-PQKUWZMOSA-N
HMDB09462,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,43H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t43-/m1/s1",PJIPMLNJEVXIQT,GAHWLXSHSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))",PJIPMLNJEVXIQT-GAHWLXSHSA-N
HMDB09463,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,29-32,43H,3-4,6,8-10,12,14-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1",XZCIYVSAHYFRHF,PJDWUMIWSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",XZCIYVSAHYFRHF-PJDWUMIWSA-N
HMDB09464,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29,31,43H,3-4,6,8-10,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1",KFOCZCMIYPPYOG,IYIXANGHSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))",KFOCZCMIYPPYOG-IYIXANGHSA-N
HMDB09465,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,43H,3-4,6,8-10,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1",YBLJOKQNMMQIEJ,VXRYDXQSSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",YBLJOKQNMMQIEJ-VXRYDXQSSA-N
HMDB09466,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,43H,3-4,9-10,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1",MIDYNHJLEGFUGG,YOIRSDSASA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",MIDYNHJLEGFUGG-YOIRSDSASA-N
HMDB09467,783.483904733,C45H70NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,43H,3-4,9-10,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1",IHTIZXOEIOXSDI,WDNLGUKOSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IHTIZXOEIOXSDI-WDNLGUKOSA-N
HMDB09468,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,45H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,20-18-,27-25-,33-31-/t45-/m1/s1",SBARVQDSBBKXDT,KKVBARKYSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)",SBARVQDSBBKXDT-KKVBARKYSA-N
HMDB09469,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,45H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1",IEZCCXOJDQMZKU,SKEIVITLSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",IEZCCXOJDQMZKU-SKEIVITLSA-N
HMDB09470,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,25,27,31,33,45H,3-5,7,9-10,15-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1",HHWNPEABIOMSKP,DRTFIVBISA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",HHWNPEABIOMSKP-DRTFIVBISA-N
HMDB09471,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30-31,33,45H,3-5,7,9-10,15-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1",RHMBSGJXCWTXLZ,RFJIFSDASA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",RHMBSGJXCWTXLZ-RFJIFSDASA-N
HMDB09472,811.515204861,C47H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-5,7,9-10,15-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1",IOWGRRHLDCONTO,UPNCUQEWSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IOWGRRHLDCONTO-UPNCUQEWSA-N
HMDB09473,811.515204861,C47H74NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30-31,33,45H,3-4,9-10,15-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1",BGBVXBUMMQDFIS,WFQOXMNWSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BGBVXBUMMQDFIS-WFQOXMNWSA-N
HMDB09474,809.499554797,C47H72NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-4,9-10,15-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1",ZAJJKMUFMHJZRS,CQMCVGQOSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZAJJKMUFMHJZRS-CQMCVGQOSA-N
HMDB09475,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,27,29,33,35,47H,3-5,7,9-11,13,15-17,19,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,29-27-,35-33-/t47-/m1/s1",BNKVULSWPODLQA,TUPUMFGKSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:0)",BNKVULSWPODLQA-TUPUMFGKSA-N
HMDB09476,847.609105245,C49H86NO8P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,27,29,33,35,47H,3-5,7,9-11,13,15-16,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,29-27-,35-33-/t47-/m1/s1",JWOCZZMDIHXGFP,OIJZNSFSSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",JWOCZZMDIHXGFP-OIJZNSFSSA-N
HMDB09477,721.504640175,C41H72NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,33,36,40H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b7-5-,13-11-,19-17-,22-21-,28-26-,36-33-/t40-/m1/s1",RBVIHSYTUKEAKV,DFAKUSJGSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-16:0)",RBVIHSYTUKEAKV-DFAKUSJGSA-N
HMDB09478,749.535940303,C43H76NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,35,38,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",MTEZLYGNEKAVRT,JALPNNRCSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:0)",MTEZLYGNEKAVRT-JALPNNRCSA-N
HMDB09479,747.520290239,C43H74NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,35,38,42H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",SBDGZMPEYDBDCB,FSOAWXQVSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z))",SBDGZMPEYDBDCB-FSOAWXQVSA-N
HMDB09480,747.520290239,C43H74NO7P,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,35,38,42H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1",UKJIXBCSUGZRDR,NUKAGXKOSA,N,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z))",UKJIXBCSUGZRDR-NUKAGXKOSA-N
HMDB09481,747.577805117,C41H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1",BKBDQKWNZFNSMN,LDLOPFEMSA,N,PE(22:0/14:0),BKBDQKWNZFNSMN-LDLOPFEMSA-N
HMDB09482,745.562155053,C41H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10,12,39H,3-9,11,13-38,42H2,1-2H3,(H,45,46)/b12-10-/t39-/m1/s1",QMQLZZVQOMZDCN,IQEWKVFESA,N,PE(22:0/14:1(9Z)),QMQLZZVQOMZDCN-IQEWKVFESA-N
HMDB09483,761.593455181,C42H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C42H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h40H,3-39,43H2,1-2H3,(H,46,47)/t40-/m1/s1",OHUXILVCUSQMMW,RRHRGVEJSA,N,PE(22:0/15:0),OHUXILVCUSQMMW-RRHRGVEJSA-N
HMDB09484,775.609105245,C43H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1",ROHWNPKNKQZUFL,VQJSHJPSSA,N,PE(22:0/16:0),ROHWNPKNKQZUFL-VQJSHJPSSA-N
HMDB09485,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h14,16,41H,3-13,15,17-40,44H2,1-2H3,(H,47,48)/b16-14-/t41-/m1/s1",ZNMZYHOEYPCVMP,MITQYPHISA,N,PE(22:0/16:1(9Z)),ZNMZYHOEYPCVMP-MITQYPHISA-N
HMDB09486,803.640405373,C45H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1",KKQBKDXCGPLXFR,VZUYHUTRSA,N,PE(22:0/18:0),KKQBKDXCGPLXFR-VZUYHUTRSA-N
HMDB09487,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1",ZWEBIKQMRUROJI,LKEIBTGGSA,N,PE(22:0/18:1(11Z)),ZWEBIKQMRUROJI-LKEIBTGGSA-N
HMDB09488,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h18,23,43H,3-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b23-18-/t43-/m1/s1",FWHVZNCIAUKGET,UPLWMSSDSA,N,PE(22:0/18:1(9Z)),FWHVZNCIAUKGET-UPLWMSSDSA-N
HMDB09489,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,43H,3-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-/t43-/m1/s1",UKSDTIJAYBAFLE,JGIACTMPSA,N,"PE(22:0/18:2(9Z,12Z))",UKSDTIJAYBAFLE-JGIACTMPSA-N
HMDB09490,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,28,30,43H,3-11,13,15-17,19-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-,30-28-/t43-/m1/s1",DYKFVFQROZKSSN,UUYOAURHSA,N,"PE(22:0/18:3(6Z,9Z,12Z))",DYKFVFQROZKSSN-UUYOAURHSA-N
HMDB09491,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,43H,3-5,7,9-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-/t43-/m1/s1",YPNBTCGXMZRYQA,VFTHXXHWSA,N,"PE(22:0/18:3(9Z,12Z,15Z))",YPNBTCGXMZRYQA-VFTHXXHWSA-N
HMDB09492,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,28,30,43H,3-5,7,9-11,13,15-17,19-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-,30-28-/t43-/m1/s1",QCPNXDHEZUMTLB,OYRCKGISSA,N,"PE(22:0/18:4(6Z,9Z,12Z,15Z))",QCPNXDHEZUMTLB-OYRCKGISSA-N
HMDB09493,831.671705501,C47H94NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h45H,3-44,48H2,1-2H3,(H,51,52)/t45-/m1/s1",LZFSWTJTQZYTPD,WBVITSLISA,N,PE(22:0/20:0),LZFSWTJTQZYTPD-WBVITSLISA-N
HMDB09494,829.656055437,C47H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h18,20,45H,3-17,19,21-44,48H2,1-2H3,(H,51,52)/b20-18-/t45-/m1/s1",SWZZCSXPHGHGLP,XWGPWIMLSA,N,PE(22:0/20:1(11Z)),SWZZCSXPHGHGLP-XWGPWIMLSA-N
HMDB09495,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,45H,3-11,13,15-17,19,21-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-/t45-/m1/s1",PCVJQWGBSIAATD,FSZLMONYSA,N,"PE(22:0/20:2(11Z,14Z))",PCVJQWGBSIAATD-FSZLMONYSA-N
HMDB09496,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h18,20,26,28,32,34,45H,3-17,19,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b20-18-,28-26-,34-32-/t45-/m1/s1",SNYGKUOBZVCXKB,CECLDLMESA,N,"PE(22:0/20:3(5Z,8Z,11Z))",SNYGKUOBZVCXKB-CECLDLMESA-N
HMDB09497,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,26,28,45H,3-11,13,15-17,19,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-,28-26-/t45-/m1/s1",VUGMHOJTOVGQMC,DYLVGCMESA,N,"PE(22:0/20:3(8Z,11Z,14Z))",VUGMHOJTOVGQMC-DYLVGCMESA-N
HMDB09498,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,26,28,32,34,45H,3-11,13,15-17,19,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-,28-26-,34-32-/t45-/m1/s1",JYZHZUALHPGWFR,OPHMESFCSA,N,"PE(22:0/20:4(5Z,8Z,11Z,14Z))",JYZHZUALHPGWFR-OPHMESFCSA-N
HMDB09499,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,26,28,45H,3-5,7,9-11,13,15-17,19,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,20-18-,28-26-/t45-/m1/s1",QOMNJAFKOIAYPY,SOKVBHIHSA,N,"PE(22:0/20:4(8Z,11Z,14Z,17Z))",QOMNJAFKOIAYPY-SOKVBHIHSA-N
HMDB09500,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,26,28,32,34,45H,3-5,7,9-11,13,15-17,19,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,20-18-,28-26-,34-32-/t45-/m1/s1",UEKNYCBYQLCZRY,LBHCMWDFSA,N,"PE(22:0/20:5(5Z,8Z,11Z,14Z,17Z))",UEKNYCBYQLCZRY-LBHCMWDFSA-N
HMDB09501,859.703005629,C49H98NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47H,3-46,50H2,1-2H3,(H,53,54)/t47-/m1/s1",TZFNCLDMKUFURD,QZNUWAOFSA,N,PE(22:0/22:0),TZFNCLDMKUFURD-QZNUWAOFSA-N
HMDB09502,857.687355565,C49H96NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,47H,3-17,19,21-46,50H2,1-2H3,(H,53,54)/b20-18-/t47-/m1/s1",GOJWYKURRHSWDJ,KDNXRFBZSA,N,PE(22:0/22:1(13Z)),GOJWYKURRHSWDJ-KDNXRFBZSA-N
HMDB09503,855.671705501,C49H94NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47H,3-11,13,15-17,19,21-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-/t47-/m1/s1",DJXFZPJEVPJZDX,YVQAKMNISA,N,"PE(22:0/22:2(13Z,16Z))",DJXFZPJEVPJZDX-YVQAKMNISA-N
HMDB09504,851.640405373,C49H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,47H,3-11,13,15-17,19,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,26-24-,32-30-/t47-/m1/s1",YVOGVSSSJHYLFJ,VOSZABOESA,N,"PE(22:0/22:4(7Z,10Z,13Z,16Z))",YVOGVSSSJHYLFJ-VOSZABOESA-N
HMDB09505,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,36,38,47H,3-11,13,15-17,19,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1",RASUAAZDYYNDFW,GCDHCFQYSA,N,"PE(22:0/22:5(4Z,7Z,10Z,13Z,16Z))",RASUAAZDYYNDFW-GCDHCFQYSA-N
HMDB09506,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,47H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,26-24-,32-30-/t47-/m1/s1",CAXVEBYAXGNFFK,NTLLGSPVSA,N,"PE(22:0/22:5(7Z,10Z,13Z,16Z,19Z))",CAXVEBYAXGNFFK-NTLLGSPVSA-N
HMDB09507,847.609105245,C49H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,36,38,47H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1",GVEPBCYVPDPMLO,JRXWFAPSSA,N,"PE(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GVEPBCYVPDPMLO-JRXWFAPSSA-N
HMDB09508,887.734305757,C51H102NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H102NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h49H,3-48,52H2,1-2H3,(H,55,56)/t49-/m1/s1",NADPZDHMCOZNQI,ANFMRNGASA,N,PE(22:0/24:0),NADPZDHMCOZNQI-ANFMRNGASA-N
HMDB09509,885.718655693,C51H100NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,49H,3-16,18,20-48,52H2,1-2H3,(H,55,56)/b19-17-/t49-/m1/s1",QUJHXIPEMHFFPK,TZYIPVKFSA,N,PE(22:0/24:1(15Z)),QUJHXIPEMHFFPK-TZYIPVKFSA-N
HMDB09510,759.614190623,C43H86NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C43H86NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h35,38,42H,3-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b38-35-/t42-/m1/s1",KSWDOZBGSVLFGQ,PVPDQLFYSA,N,PE(22:0/P-16:0),KSWDOZBGSVLFGQ-PVPDQLFYSA-N
HMDB09511,787.645490751,C45H90NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C45H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h37,40,44H,3-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b40-37-/t44-/m1/s1",ZAYQPOSZZVHQAK,AZRNAUBQSA,N,PE(22:0/P-18:0),ZAYQPOSZZVHQAK-AZRNAUBQSA-N
HMDB09512,785.629840687,C45H88NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16,37,40,44H,3-13,15,17-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,40-37-/t44-/m1/s1",RCAMNDQGYGETJZ,NFZDIMHLSA,N,PE(22:0/P-18:1(11Z)),RCAMNDQGYGETJZ-NFZDIMHLSA-N
HMDB09513,785.629840687,C45H88NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,37,40,44H,3-17,19,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b20-18-,40-37-/t44-/m1/s1",KJRLUDYCGPZRFA,DUUARSBJSA,N,PE(22:0/P-18:1(9Z)),KJRLUDYCGPZRFA-DUUARSBJSA-N
HMDB09514,745.562155053,C41H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h16-17,39H,3-15,18-38,42H2,1-2H3,(H,45,46)/b17-16-/t39-/m1/s1",AHVVIUYIKIQVDO,SGFDTVKUSA,N,PE(22:1(13Z)/14:0),AHVVIUYIKIQVDO-SGFDTVKUSA-N
HMDB09515,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10,12,16-17,39H,3-9,11,13-15,18-38,42H2,1-2H3,(H,45,46)/b12-10-,17-16-/t39-/m1/s1",XOTZQQUUCAOSLB,ZDMXYWDMSA,N,PE(22:1(13Z)/14:1(9Z)),XOTZQQUUCAOSLB-ZDMXYWDMSA-N
HMDB09516,759.577805117,C42H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C42H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h17-18,40H,3-16,19-39,43H2,1-2H3,(H,46,47)/b18-17-/t40-/m1/s1",REDKBACMQCHVMH,LQOXNGKESA,N,PE(22:1(13Z)/15:0),REDKBACMQCHVMH-LQOXNGKESA-N
HMDB09517,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h17-18,41H,3-16,19-40,44H2,1-2H3,(H,47,48)/b18-17-/t41-/m1/s1",URRUJVMBYGYWNL,AFASEBMKSA,N,PE(22:1(13Z)/16:0),URRUJVMBYGYWNL-AFASEBMKSA-N
HMDB09518,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h14,16-18,41H,3-13,15,19-40,44H2,1-2H3,(H,47,48)/b16-14-,18-17-/t41-/m1/s1",CUUQTWOJYKCYRS,CCUJVRBKSA,N,PE(22:1(13Z)/16:1(9Z)),CUUQTWOJYKCYRS-CCUJVRBKSA-N
HMDB09519,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-/t43-/m1/s1",FIDLPOUUHOPJBC,RPBJOJELSA,N,PE(22:1(13Z)/18:0),FIDLPOUUHOPJBC-RPBJOJELSA-N
HMDB09520,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h14,16-17,19,43H,3-13,15,18,20-42,46H2,1-2H3,(H,49,50)/b16-14-,19-17-/t43-/m1/s1",SRFMGBYVWNOPCH,WHGAUIBTSA,N,PE(22:1(13Z)/18:1(11Z)),SRFMGBYVWNOPCH-WHGAUIBTSA-N
HMDB09521,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17-19,23,43H,3-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b19-17-,23-18-/t43-/m1/s1",WGJLQEZLXFJLSG,CBNMMGITSA,N,PE(22:1(13Z)/18:1(9Z)),WGJLQEZLXFJLSG-CBNMMGITSA-N
HMDB09522,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,43H,3-11,13,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-/t43-/m1/s1",RPQADOSGSRBJOV,KRWKSUKDSA,N,"PE(22:1(13Z)/18:2(9Z,12Z))",RPQADOSGSRBJOV-KRWKSUKDSA-N
HMDB09523,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,28,30,43H,3-11,13,15-16,20-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-,30-28-/t43-/m1/s1",RHBZSPYYUTVJHJ,HPHYLAMISA,N,"PE(22:1(13Z)/18:3(6Z,9Z,12Z))",RHBZSPYYUTVJHJ-HPHYLAMISA-N
HMDB09524,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,43H,3-5,7,9-11,13,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,23-18-/t43-/m1/s1",YHKHZYNNNXVJRS,JOIVCNAYSA,N,"PE(22:1(13Z)/18:3(9Z,12Z,15Z))",YHKHZYNNNXVJRS-JOIVCNAYSA-N
HMDB09525,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,28,30,43H,3-5,7,9-11,13,15-16,20-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,23-18-,30-28-/t43-/m1/s1",IZWPZNGYCMMGHU,IYGLDYEKSA,N,"PE(22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",IZWPZNGYCMMGHU-IYGLDYEKSA-N
HMDB09526,829.656055437,C47H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h17,19,45H,3-16,18,20-44,48H2,1-2H3,(H,51,52)/b19-17-/t45-/m1/s1",GYQFFPCQYNJSKL,XMGJQEBSSA,N,PE(22:1(13Z)/20:0),GYQFFPCQYNJSKL-XMGJQEBSSA-N
HMDB09527,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h17-20,45H,3-16,21-44,48H2,1-2H3,(H,51,52)/b19-17-,20-18-/t45-/m1/s1",QCZKQETVYPDPRM,BVVJDWBDSA,N,PE(22:1(13Z)/20:1(11Z)),QCZKQETVYPDPRM-BVVJDWBDSA-N
HMDB09528,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,45H,3-11,13,15-16,21-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-/t45-/m1/s1",FWEQMNXEJWGXSY,WREJQHILSA,N,"PE(22:1(13Z)/20:2(11Z,14Z))",FWEQMNXEJWGXSY-WREJQHILSA-N
HMDB09529,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h17-20,26,28,32,34,45H,3-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b19-17-,20-18-,28-26-,34-32-/t45-/m1/s1",FSROQTJGWPHEDK,WCLNFCOJSA,N,"PE(22:1(13Z)/20:3(5Z,8Z,11Z))",FSROQTJGWPHEDK-WCLNFCOJSA-N
HMDB09530,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,26,28,45H,3-11,13,15-16,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-,28-26-/t45-/m1/s1",IYILTLPHNLXLMC,HTBSNDDKSA,N,"PE(22:1(13Z)/20:3(8Z,11Z,14Z))",IYILTLPHNLXLMC-HTBSNDDKSA-N
HMDB09531,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,26,28,32,34,45H,3-11,13,15-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1",DREPXDANSPNBFC,MXLPDDNWSA,N,"PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",DREPXDANSPNBFC-MXLPDDNWSA-N
HMDB09532,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,26,28,45H,3-5,7,9-11,13,15-16,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,20-18-,28-26-/t45-/m1/s1",ZMGLCPZNKRMLRI,DJLCKYOLSA,N,"PE(22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",ZMGLCPZNKRMLRI-DJLCKYOLSA-N
HMDB09533,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,26,28,32,34,45H,3-5,7,9-11,13,15-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1",RJHUMESPRUYBRB,XCRHSHLJSA,N,"PE(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RJHUMESPRUYBRB-XCRHSHLJSA-N
HMDB09534,857.687355565,C49H96NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,47H,3-16,18,20-46,50H2,1-2H3,(H,53,54)/b19-17-/t47-/m1/s1",JBPBKZXLCCULDZ,YMTWRDBNSA,N,PE(22:1(13Z)/22:0),JBPBKZXLCCULDZ-YMTWRDBNSA-N
HMDB09535,855.671705501,C49H94NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,47H,3-16,21-46,50H2,1-2H3,(H,53,54)/b19-17-,20-18-/t47-/m1/s1",VBZSMBBOZFITID,FRWASNMLSA,N,PE(22:1(13Z)/22:1(13Z)),VBZSMBBOZFITID-FRWASNMLSA-N
HMDB09536,853.656055437,C49H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47H,3-11,13,15-16,21-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-/t47-/m1/s1",KTZSVGLBQQQGAV,DIBSRUJTSA,N,"PE(22:1(13Z)/22:2(13Z,16Z))",KTZSVGLBQQQGAV-DIBSRUJTSA-N
HMDB09537,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,47H,3-11,13,15-16,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,26-24-,32-30-/t47-/m1/s1",UXCDXBKIICLCQO,QQORWIFPSA,N,"PE(22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",UXCDXBKIICLCQO-QQORWIFPSA-N
HMDB09538,847.609105245,C49H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,36,38,47H,3-11,13,15-16,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1",HWDBKNSDBXBPED,BYNOVXBHSA,N,"PE(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HWDBKNSDBXBPED-BYNOVXBHSA-N
HMDB09539,847.609105245,C49H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,47H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t47-/m1/s1",WVHXMDHJQGIGJG,SSWSNRTOSA,N,"PE(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WVHXMDHJQGIGJG-SSWSNRTOSA-N
HMDB09540,845.593455181,C49H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,36,38,47H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1",NBLIHSDNMICNGL,QMUNVXQVSA,N,"PE(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NBLIHSDNMICNGL-QMUNVXQVSA-N
HMDB09541,885.718655693,C51H100NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,49H,3-17,19,21-48,52H2,1-2H3,(H,55,56)/b20-18-/t49-/m1/s1",XUVNEPPLNMUQEZ,WXNGPCRQSA,N,PE(22:1(13Z)/24:0),XUVNEPPLNMUQEZ-WXNGPCRQSA-N
HMDB09542,883.703005629,C51H98NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h17-20,49H,3-16,21-48,52H2,1-2H3,(H,55,56)/b19-17-,20-18-/t49-/m1/s1",ZGIIQKWIHWMINC,CGACMRCQSA,N,PE(22:1(13Z)/24:1(15Z)),ZGIIQKWIHWMINC-CGACMRCQSA-N
HMDB09543,757.598540559,C43H84NO7P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1",MVASPAIFCLTHSN,HBHQMZOPSA,N,PE(22:1(13Z)/P-16:0),MVASPAIFCLTHSN-HBHQMZOPSA-N
HMDB09544,785.629840687,C45H88NO7P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1",GOUXZVGZTGTMAK,NAPHWOKNSA,N,PE(22:1(13Z)/P-18:0),GOUXZVGZTGTMAK-NAPHWOKNSA-N
HMDB09545,783.614190623,C45H86NO7P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40,44H,3-13,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,19-17-,40-37-/t44-/m1/s1",QNAFMLUXQLBFIC,YLDKWXJFSA,N,PE(22:1(13Z)/P-18:1(11Z)),QNAFMLUXQLBFIC-YLDKWXJFSA-N
HMDB09546,783.614190623,C45H86NO7P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,37,40,44H,3-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,20-18-,40-37-/t44-/m1/s1",JDOTXCGTSDISQH,XZSHZUORSA,N,PE(22:1(13Z)/P-18:1(9Z)),JDOTXCGTSDISQH-XZSHZUORSA-N
HMDB09547,743.546504989,C41H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,39H,3-10,12,14-15,18-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-/t39-/m1/s1",XJLGATDALCZXFX,LSWZYRHBSA,N,"PE(22:2(13Z,16Z)/14:0)",XJLGATDALCZXFX-LSWZYRHBSA-N
HMDB09548,741.530854925,C41H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,39H,3-9,14-15,18-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-/t39-/m1/s1",NDFYJHAUVLKSLS,UUYHJMQVSA,N,"PE(22:2(13Z,16Z)/14:1(9Z))",NDFYJHAUVLKSLS-UUYHJMQVSA-N
HMDB09549,757.562155053,C42H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C42H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,40H,3-10,12,14-16,19-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-/t40-/m1/s1",KXVQBSORIXQSRP,UQZFHPPLSA,N,"PE(22:2(13Z,16Z)/15:0)",KXVQBSORIXQSRP-UQZFHPPLSA-N
HMDB09550,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,41H,3-10,12,14-16,19-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-/t41-/m1/s1",XNZHFYSLNIZKJP,PYPPRJKTSA,N,"PE(22:2(13Z,16Z)/16:0)",XNZHFYSLNIZKJP-PYPPRJKTSA-N
HMDB09551,769.562155053,C43H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,41H,3-10,12,15,19-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-/t41-/m1/s1",QVVFIWQYPHAMBR,JKJMWZRXSA,N,"PE(22:2(13Z,16Z)/16:1(9Z))",QVVFIWQYPHAMBR-JKJMWZRXSA-N
HMDB09552,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,43H,3-10,12,14-16,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-/t43-/m1/s1",HOCJFXIPJUJEBT,MTFJKWJPSA,N,"PE(22:2(13Z,16Z)/18:0)",HOCJFXIPJUJEBT-MTFJKWJPSA-N
HMDB09553,797.593455181,C45H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,43H,3-10,12,15,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-/t43-/m1/s1",PPGWZVGGPSXEIN,PLUDNLSZSA,N,"PE(22:2(13Z,16Z)/18:1(11Z))",PPGWZVGGPSXEIN-PLUDNLSZSA-N
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HMDB09556,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,28,30,43H,3-10,15-16,20-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,23-18-,30-28-/t43-/m1/s1",BRZHNCZGBULDIZ,XYHFPQPRSA,N,"PE(22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",BRZHNCZGBULDIZ-XYHFPQPRSA-N
HMDB09557,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,43H,3-5,7,9-10,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,23-18-/t43-/m1/s1",QISXRGLAZUIPCG,QPBWJCTOSA,N,"PE(22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",QISXRGLAZUIPCG-QPBWJCTOSA-N
HMDB09558,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,28,30,43H,3-5,7,9-10,15-16,20-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,23-18-,30-28-/t43-/m1/s1",WUBILTFDXIBJBG,FEFPCXJTSA,N,"PE(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",WUBILTFDXIBJBG-FEFPCXJTSA-N
HMDB09559,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,45H,3-10,12,14-16,18,20-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-/t45-/m1/s1",DUNJFEOKELEISM,YPJAHOAKSA,N,"PE(22:2(13Z,16Z)/20:0)",DUNJFEOKELEISM-YPJAHOAKSA-N
HMDB09560,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,45H,3-10,12,14-16,21-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-/t45-/m1/s1",FROXNOVGAGRVTN,RLWNNFTMSA,N,"PE(22:2(13Z,16Z)/20:1(11Z))",FROXNOVGAGRVTN-RLWNNFTMSA-N
HMDB09561,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45H,3-10,15-16,21-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-/t45-/m1/s1",JDXYZKSGQIRNRJ,JVEFJGDOSA,N,"PE(22:2(13Z,16Z)/20:2(11Z,14Z))",JDXYZKSGQIRNRJ-JVEFJGDOSA-N
HMDB09562,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,26,28,32,34,45H,3-10,12,14-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1",XYZUUYDEXIPOHA,JOYMOSNLSA,N,"PE(22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",XYZUUYDEXIPOHA-JOYMOSNLSA-N
HMDB09563,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,26,28,45H,3-10,15-16,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,28-26-/t45-/m1/s1",INZAMRUTEGCNIK,OWHJLNLNSA,N,"PE(22:2(13Z,16Z)/20:3(8Z,11Z,14Z))",INZAMRUTEGCNIK-OWHJLNLNSA-N
HMDB09564,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,26,28,32,34,45H,3-10,15-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1",WNFAEGGVAPRNJT,LOICOWPRSA,N,"PE(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",WNFAEGGVAPRNJT-LOICOWPRSA-N
HMDB09565,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,45H,3-5,7,9-10,15-16,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-/t45-/m1/s1",PJIOAUVMVXIPCO,JLEFQFKISA,N,"PE(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",PJIOAUVMVXIPCO-JLEFQFKISA-N
HMDB09566,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,32,34,45H,3-5,7,9-10,15-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1",CLBSXMZJHNIQGE,ZZGXZYAFSA,N,"PE(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CLBSXMZJHNIQGE-ZZGXZYAFSA-N
HMDB09567,855.671705501,C49H94NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,47H,3-10,12,14-16,18,20-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-/t47-/m1/s1",INEGCSSQPPHJAY,GIBQJYIPSA,N,"PE(22:2(13Z,16Z)/22:0)",INEGCSSQPPHJAY-GIBQJYIPSA-N
HMDB09568,853.656055437,C49H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,47H,3-10,12,14-16,21-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,20-18-/t47-/m1/s1",PWEAUUJMACKVSV,WPRYWHHISA,N,"PE(22:2(13Z,16Z)/22:1(13Z))",PWEAUUJMACKVSV-WPRYWHHISA-N
HMDB09569,851.640405373,C49H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,47H,3-10,15-16,21-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-/t47-/m1/s1",INYUHEZMPRZGOO,HLWJJLCISA,N,"PE(22:2(13Z,16Z)/22:2(13Z,16Z))",INYUHEZMPRZGOO-HLWJJLCISA-N
HMDB09570,847.609105245,C49H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,47H,3-10,15-16,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t47-/m1/s1",NNAMTGGOGLHJAZ,CHWHTWQNSA,N,"PE(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",NNAMTGGOGLHJAZ-CHWHTWQNSA-N
HMDB09571,845.593455181,C49H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,36,38,47H,3-10,15-16,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1",ZDPKMNQVMQVYAG,PCDUFVEOSA,N,"PE(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZDPKMNQVMQVYAG-PCDUFVEOSA-N
HMDB09572,845.593455181,C49H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,47H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t47-/m1/s1",LYDMBIIRDDVUSG,BKTJFRPDSA,N,"PE(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LYDMBIIRDDVUSG-BKTJFRPDSA-N
HMDB09573,843.577805117,C49H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,36,38,47H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1",PZOFJKJVUSUYLU,FQZMMQODSA,N,"PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PZOFJKJVUSUYLU-FQZMMQODSA-N
HMDB09574,883.703005629,C51H98NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,49H,3-11,13,15-17,19,21-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-/t49-/m1/s1",UGEWJIJNZRKNQR,GITDPHJVSA,N,"PE(22:2(13Z,16Z)/24:0)",UGEWJIJNZRKNQR-GITDPHJVSA-N
HMDB09575,881.687355565,C51H96NO8P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,49H,3-11,13,15-16,21-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-/t49-/m1/s1",SHCSJEWCYUBUBQ,DGQABRSQSA,N,"PE(22:2(13Z,16Z)/24:1(15Z))",SHCSJEWCYUBUBQ-DGQABRSQSA-N
HMDB09576,755.582890495,C43H82NO7P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,35,38,42H,3-10,12,14-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,38-35-/t42-/m1/s1",WMGNZOBBKTUGGQ,IRSYNFPBSA,N,"PE(22:2(13Z,16Z)/P-16:0)",WMGNZOBBKTUGGQ-IRSYNFPBSA-N
HMDB09577,783.614190623,C45H86NO7P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40,44H,3-10,12,14-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,40-37-/t44-/m1/s1",DJDJNKPREQXZRR,NOQLVGMBSA,N,"PE(22:2(13Z,16Z)/P-18:0)",DJDJNKPREQXZRR-NOQLVGMBSA-N
HMDB09578,781.598540559,C45H84NO7P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,37,40,44H,3-10,12,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,40-37-/t44-/m1/s1",SLOJSZMVOJHDOL,XAGFNEJISA,N,"PE(22:2(13Z,16Z)/P-18:1(11Z))",SLOJSZMVOJHDOL-XAGFNEJISA-N
HMDB09579,781.598540559,C45H84NO7P,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40,44H,3-10,12,14-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,40-37-/t44-/m1/s1",GDFUAUASTHYGDC,IIBIWEDCSA,N,"PE(22:2(13Z,16Z)/P-18:1(9Z))",GDFUAUASTHYGDC-IIBIWEDCSA-N
HMDB09580,739.515204861,C41H74NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,39H,3-10,12,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-,24-22-/t39-/m1/s1",NUMLYCXHYWPWFK,SIOSMUJOSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/14:0)",NUMLYCXHYWPWFK-SIOSMUJOSA-N
HMDB09581,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,39H,3-9,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1",YNQMXGZTBMDBCW,GEQLDFBFSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))",YNQMXGZTBMDBCW-GEQLDFBFSA-N
HMDB09582,753.530854925,C42H76NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C42H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,40H,3-10,12,14-16,19,22,24,26-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-,21-20-,25-23-/t40-/m1/s1",FKTAVDBHNDETTB,VPKDSPBBSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/15:0)",FKTAVDBHNDETTB-VPKDSPBBSA-N
HMDB09583,767.546504989,C43H78NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,41H,3-10,12,14-16,19,22-23,26-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-,21-20-,25-24-/t41-/m1/s1",JEVQFWZHFCWWMC,JAIMITBRSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/16:0)",JEVQFWZHFCWWMC-JAIMITBRSA-N
HMDB09584,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24-25,41H,3-10,12,15,19,22-23,26-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,21-20-,25-24-/t41-/m1/s1",RJMFDVKEPUPVJL,UYMMWNBHSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))",RJMFDVKEPUPVJL-UYMMWNBHSA-N
HMDB09585,795.577805117,C45H82NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,43H,3-10,12,14-16,18,20,23-24,26,28-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,27-25-/t43-/m1/s1",WALILJXJZOCRCD,LFKCOKBZSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/18:0)",WALILJXJZOCRCD-LFKCOKBZSA-N
HMDB09586,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,25,27,43H,3-10,12,15,18,20,23-24,26,28-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,22-21-,27-25-/t43-/m1/s1",SQWAGNNCWNPIQG,UDSQKQMUSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))",SQWAGNNCWNPIQG-UDSQKQMUSA-N
HMDB09587,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,25,27,43H,3-10,12,14-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1",PQCDVFVOQBZXJA,BYQCZQGLSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",PQCDVFVOQBZXJA-BYQCZQGLSA-N
HMDB09588,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27,43H,3-10,15-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1",FNRCOPKWZNIALY,SPCOIMRYSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",FNRCOPKWZNIALY-SPCOIMRYSA-N
HMDB09589,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27-28,30,43H,3-10,15-16,20,24,26,29,31-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t43-/m1/s1",NCTKZYKBKCVDQW,UZCIPYCGSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",NCTKZYKBKCVDQW-UZCIPYCGSA-N
HMDB09590,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27,43H,3-5,7,9-10,15-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1",QJZJVMSZIOZEPO,HRZOGMLFSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",QJZJVMSZIOZEPO-HRZOGMLFSA-N
HMDB09591,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27-28,30,43H,3-5,7,9-10,15-16,20,24,26,29,31-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t43-/m1/s1",GYNYSVQYMSSLOC,URPYSLDFSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",GYNYSVQYMSSLOC-URPYSLDFSA-N
HMDB09592,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,27,29,45H,3-10,12,14-16,18,20-21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,24-22-,29-27-/t45-/m1/s1",DGHXIYUMNKIUPM,PPPPXIRXSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/20:0)",DGHXIYUMNKIUPM-PPPPXIRXSA-N
HMDB09593,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,27,29,45H,3-10,12,14-16,21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,29-27-/t45-/m1/s1",IMOVORIFMVJBTL,QCFFNDEDSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",IMOVORIFMVJBTL-QCFFNDEDSA-N
HMDB09594,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,27,29,45H,3-10,15-16,21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t45-/m1/s1",NGFAGEPDFMFIRE,JIGYNQCPSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z))",NGFAGEPDFMFIRE-JIGYNQCPSA-N
HMDB09595,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,26-29,32,34,45H,3-10,12,14-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1",NAQWVIIUUYOAHR,YBNBJDMMSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",NAQWVIIUUYOAHR-YBNBJDMMSA-N
HMDB09596,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,32,34,45H,3-10,15-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1",UKPPRUZUZZHUEZ,VXKKETNGSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",UKPPRUZUZZHUEZ-VXKKETNGSA-N
HMDB09597,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,45H,3-5,7,9-10,15-16,21,23,25,30-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t45-/m1/s1",WZFKOHNYYUAPIL,FSSPVDJXSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",WZFKOHNYYUAPIL-FSSPVDJXSA-N
HMDB09598,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,32,34,45H,3-5,7,9-10,15-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1",DXEPHKZVHFZGBD,GTRATJNISA,N,"PE(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",DXEPHKZVHFZGBD-GTRATJNISA-N
HMDB09599,851.640405373,C49H90NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,47H,3-10,12,14-16,18,20-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,25-23-,31-29-/t47-/m1/s1",LBIMYYDMBRNWAU,COJIEWFMSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/22:0)",LBIMYYDMBRNWAU-COJIEWFMSA-N
HMDB09600,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,47H,3-10,12,14-16,21-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,20-18-,25-23-,31-29-/t47-/m1/s1",QBTVUYJFOKJECD,YFESGCCUSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",QBTVUYJFOKJECD-YFESGCCUSA-N
HMDB09601,847.609105245,C49H86NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,47H,3-10,15-16,21-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t47-/m1/s1",KYFVKASESHWBQG,DNNHNIDJSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",KYFVKASESHWBQG-DNNHNIDJSA-N
HMDB09602,843.577805117,C49H82NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,47H,3-10,15-16,21-22,27-28,33-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t47-/m1/s1",LTWUNPPGHIBYFN,FMCAZBRPSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",LTWUNPPGHIBYFN-FMCAZBRPSA-N
HMDB09603,841.562155053,C49H80NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,36,38,47H,3-10,15-16,21-22,27-28,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t47-/m1/s1",HFJDOZKEVDKDAO,NJJQQFSTSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HFJDOZKEVDKDAO-NJJQQFSTSA-N
HMDB09604,841.562155053,C49H80NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,47H,3-5,7,9-10,15-16,21-22,27-28,33-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t47-/m1/s1",PAMZKXYTDSTFKM,DHIVKQBASA,N,"PE(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PAMZKXYTDSTFKM-DHIVKQBASA-N
HMDB09605,839.546504989,C49H78NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,36,38,47H,3-5,7,9-10,15-16,21-22,27-28,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t47-/m1/s1",AKHBLRYFRJWEOC,JUIVBTPUSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AKHBLRYFRJWEOC-JUIVBTPUSA-N
HMDB09606,879.671705501,C51H94NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,49H,3-11,13,15-17,19,21-24,26,28-30,32,34-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-,27-25-,33-31-/t49-/m1/s1",QJHFZHKRVYHAPS,ZQTDBQHESA,N,"PE(22:4(7Z,10Z,13Z,16Z)/24:0)",QJHFZHKRVYHAPS-ZQTDBQHESA-N
HMDB09607,877.656055437,C51H92NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,49H,3-11,13,15-16,21-24,26,28-30,32,34-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-,27-25-,33-31-/t49-/m1/s1",MSURVKPCUJNUEQ,KVIGXPJASA,N,"PE(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",MSURVKPCUJNUEQ-KVIGXPJASA-N
HMDB09608,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,45H,3-10,15-16,21,23,25,30-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t45-/m1/s1",WFBRJPIZZIAWPB,QRLPBIBMSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))",WFBRJPIZZIAWPB-QRLPBIBMSA-N
HMDB09609,751.551590367,C43H78NO7P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24,26,35,38,42H,3-10,12,14-16,18,20,23,25,27-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,22-21-,26-24-,38-35-/t42-/m1/s1",CBTPUGMCCOFLJT,LNCIMUPZSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/P-16:0)",CBTPUGMCCOFLJT-LNCIMUPZSA-N
HMDB09610,779.582890495,C45H82NO7P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C45H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26,28,37,40,44H,3-10,12,14-16,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1",OJCHOVMLEHFBOD,IKHSQHJKSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)",OJCHOVMLEHFBOD-IKHSQHJKSA-N
HMDB09611,777.567240431,C45H80NO7P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,26,28,37,40,44H,3-10,12,15,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1",FISVEBQJGBZOPW,USOCFQKQSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))",FISVEBQJGBZOPW-USOCFQKQSA-N
HMDB09612,777.567240431,C45H80NO7P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22-23,26,28,37,40,44H,3-10,12,14-16,21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,23-22-,28-26-,40-37-/t44-/m1/s1",PIRVOZHXFFFFFG,ZGMVDJDGSA,N,"PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))",PIRVOZHXFFFFFG-ZGMVDJDGSA-N
HMDB09613,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,27,29,39H,3-10,12,14-15,18,21,23,25-26,28,30-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-,24-22-,29-27-/t39-/m1/s1",IHWFKTNVBRSXIE,NVMVZPSNSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)",IHWFKTNVBRSXIE-NVMVZPSNSA-N
HMDB09614,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,27,29,39H,3-9,14-15,18,21,23,25-26,28,30-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-,20-19-,24-22-,29-27-/t39-/m1/s1",UVKOZMOGYKGBPA,PXOFJOGNSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))",UVKOZMOGYKGBPA-PXOFJOGNSA-N
HMDB09615,751.515204861,C42H74NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C42H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,28,30,40H,3-10,12,14-16,19,22,24,26-27,29,31-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-,21-20-,25-23-,30-28-/t40-/m1/s1",HLAHRUDFCZDVSH,VWSPPRBESA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)",HLAHRUDFCZDVSH-VWSPPRBESA-N
HMDB09616,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,29,31,41H,3-10,12,14-16,19,22-23,26-28,30,32-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-,21-20-,25-24-,31-29-/t41-/m1/s1",IGLDAKIUZPDOCH,XHZSNTCFSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",IGLDAKIUZPDOCH-XHZSNTCFSA-N
HMDB09617,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24-25,29,31,41H,3-10,12,15,19,22-23,26-28,30,32-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,21-20-,25-24-,31-29-/t41-/m1/s1",CJTLVAFISCQEQS,ZJLVUGKFSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",CJTLVAFISCQEQS-ZJLVUGKFSA-N
HMDB09618,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,31,33,43H,3-10,12,14-16,18,20,23-24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,27-25-,33-31-/t43-/m1/s1",NCWMYSRFLUIVBC,LDCZMAMRSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",NCWMYSRFLUIVBC-LDCZMAMRSA-N
HMDB09619,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,25,27,31,33,43H,3-10,12,15,18,20,23-24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,22-21-,27-25-,33-31-/t43-/m1/s1",GFXLBJUDZIYNJE,NDAADWRBSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",GFXLBJUDZIYNJE-NDAADWRBSA-N
HMDB09620,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,25,27,31,33,43H,3-10,12,14-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1",NFAQJKOAYRWJSW,YQZJDYEPSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",NFAQJKOAYRWJSW-YQZJDYEPSA-N
HMDB09621,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27,31,33,43H,3-10,15-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1",ISEBCERZILVOLQ,JZSQEJPHSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",ISEBCERZILVOLQ-JZSQEJPHSA-N
HMDB09622,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27-28,30-31,33,43H,3-10,15-16,20,24,26,29,32,34-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t43-/m1/s1",JXJMQQIXVRINNG,RHAYLJLTSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",JXJMQQIXVRINNG-RHAYLJLTSA-N
HMDB09623,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27,31,33,43H,3-5,7,9-10,15-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1",WJKZGBJCRLBLKR,BBCVAYROSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",WJKZGBJCRLBLKR-BBCVAYROSA-N
HMDB09624,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27-28,30-31,33,43H,3-5,7,9-10,15-16,20,24,26,29,32,34-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t43-/m1/s1",SCCCRHQQTFTIJM,PZXUUWLZSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",SCCCRHQQTFTIJM-PZXUUWLZSA-N
HMDB09625,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,27,29,33,35,45H,3-10,12,14-16,18,20-21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,24-22-,29-27-,35-33-/t45-/m1/s1",GNGWSSKZIHVGDE,DQAYKIPASA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:0)",GNGWSSKZIHVGDE-DQAYKIPASA-N
HMDB09626,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,27,29,33,35,45H,3-10,12,14-16,21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,29-27-,35-33-/t45-/m1/s1",SCJBEANMQXGAHU,MRYMTOJXSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",SCJBEANMQXGAHU-MRYMTOJXSA-N
HMDB09627,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,27,29,33,35,45H,3-10,15-16,21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,29-27-,35-33-/t45-/m1/s1",ZFVFIXFLSUXKOU,IFRKSNTASA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z))",ZFVFIXFLSUXKOU-IFRKSNTASA-N
HMDB09628,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,26-29,32-35,45H,3-10,12,14-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1",NCAIHLKBGGDTEK,HIZOEKCOSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",NCAIHLKBGGDTEK-HIZOEKCOSA-N
HMDB09629,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,33,35,45H,3-10,15-16,21,23,25,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t45-/m1/s1",JLYBUHKQMMKPMP,LLSLILFMSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))",JLYBUHKQMMKPMP-LLSLILFMSA-N
HMDB09630,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,32-35,45H,3-10,15-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1",LGWPRBAVQAGLDR,YKSVHLCDSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",LGWPRBAVQAGLDR-YKSVHLCDSA-N
HMDB09631,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,33,35,45H,3-5,7,9-10,15-16,21,23,25,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t45-/m1/s1",WDDXSKJLCWQKGN,PEBMSPJXSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",WDDXSKJLCWQKGN-PEBMSPJXSA-N
HMDB09632,811.515204861,C47H74NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,32-35,45H,3-5,7,9-10,15-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1",GGGLOVGVHWXCCU,AXQRBITKSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",GGGLOVGVHWXCCU-AXQRBITKSA-N
HMDB09633,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,35,37,47H,3-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,25-23-,31-29-,37-35-/t47-/m1/s1",DXHSERQLBZWZDL,RNYQUDLGSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:0)",DXHSERQLBZWZDL-RNYQUDLGSA-N
HMDB09634,847.609105245,C49H86NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,35,37,47H,3-10,12,14-16,21-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,20-18-,25-23-,31-29-,37-35-/t47-/m1/s1",DKALNHPYIKYUAV,VTZYPMLUSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",DKALNHPYIKYUAV-VTZYPMLUSA-N
HMDB09635,845.593455181,C49H84NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,35,37,47H,3-10,15-16,21-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-,37-35-/t47-/m1/s1",ZRRULMBNKAKIKC,VXHQEMSQSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",ZRRULMBNKAKIKC-VXHQEMSQSA-N
HMDB09636,841.562155053,C49H80NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35,37,47H,3-10,15-16,21-22,27-28,33-34,36,38-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t47-/m1/s1",OIHZPCMNUQYHCI,MMFGRAFBSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",OIHZPCMNUQYHCI-MMFGRAFBSA-N
HMDB09637,839.546504989,C49H78NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35-38,47H,3-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1",AUDAZOUFONZJII,SWUYWNKHSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AUDAZOUFONZJII-SWUYWNKHSA-N
HMDB09638,839.546504989,C49H78NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,35,37,47H,3-5,7,9-10,15-16,21-22,27-28,33-34,36,38-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t47-/m1/s1",VVTZPUOTGORIFV,LRYPQJNHSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VVTZPUOTGORIFV-LRYPQJNHSA-N
HMDB09639,837.530854925,C49H76NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,35-38,47H,3-5,7,9-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1",IWZCRDQSSLJDNV,CXJUXISASA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IWZCRDQSSLJDNV-CXJUXISASA-N
HMDB09640,877.656055437,C51H92NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,37,39,49H,3-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-,27-25-,33-31-,39-37-/t49-/m1/s1",ROIQXSIMEVCPRK,QVBYGFLGSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:0)",ROIQXSIMEVCPRK-QVBYGFLGSA-N
HMDB09641,875.640405373,C51H90NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,37,39,49H,3-11,13,15-16,21-24,26,28-30,32,34-36,38,40-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t49-/m1/s1",XTUDZQLCHHFUMK,MEWRGBTPSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",XTUDZQLCHHFUMK-MEWRGBTPSA-N
HMDB09642,749.535940303,C43H76NO7P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24,26,30,32,35,38,42H,3-10,12,14-16,18,20,23,25,27-29,31,33-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,22-21-,26-24-,32-30-,38-35-/t42-/m1/s1",DWRNCYXSJYUKED,LTQGKFCESA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0)",DWRNCYXSJYUKED-LTQGKFCESA-N
HMDB09643,777.567240431,C45H80NO7P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26,28,32,34,37,40,44H,3-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",PCKXGFCVDCVIHH,ABYSKWQHSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/dm18:0)",PCKXGFCVDCVIHH-ABYSKWQHSA-N
HMDB09644,775.551590367,C45H78NO7P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,26,28,32,34,37,40,44H,3-10,12,15,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",CDUOVOWUHCCKIY,RCWWZEBWSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))",CDUOVOWUHCCKIY-RCWWZEBWSA-N
HMDB09645,775.551590367,C45H78NO7P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22-23,26,28,32,34,37,40,44H,3-10,12,14-16,21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",XRJFGWIUQIJGBR,UROQQLRXSA,N,"PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))",XRJFGWIUQIJGBR-UROQQLRXSA-N
HMDB09646,737.499554797,C41H72NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,39H,3-4,6,8-10,12,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1",ONRKLEVEKHDYLB,QOIQEGQCSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)",ONRKLEVEKHDYLB-QOIQEGQCSA-N
HMDB09647,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,39H,3-4,6,8-9,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1",PFWJSNVZVPYGKN,BQPFVXKTSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",PFWJSNVZVPYGKN-BQPFVXKTSA-N
HMDB09648,751.515204861,C42H74NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C42H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,40H,3-4,6,8-10,12,14-16,19,22,24,26-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-/t40-/m1/s1",RUFNKRIJONNSBR,REYWUPTISA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/15:0)",RUFNKRIJONNSBR-REYWUPTISA-N
HMDB09649,765.530854925,C43H76NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,41H,3-4,6,8-10,12,14-16,19,22-23,26-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-,21-20-,25-24-/t41-/m1/s1",BLHQFTDZMFXXHV,LLPREHSBSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",BLHQFTDZMFXXHV-LLPREHSBSA-N
HMDB09650,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,41H,3-4,6,8-10,12,15,19,22-23,26-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-/t41-/m1/s1",BXQLRXVJZRHFMU,KONFTKGISA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",BXQLRXVJZRHFMU-KONFTKGISA-N
HMDB09651,793.562155053,C45H80NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,43H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,27-25-/t43-/m1/s1",WQHSMYBPCGOJLV,LMAJKDESSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",WQHSMYBPCGOJLV-LMAJKDESSA-N
HMDB09652,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,25,27,43H,3-4,6,8-10,12,15,18,20,23-24,26,28-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,19-17-,22-21-,27-25-/t43-/m1/s1",BTGPDGNORXGZJQ,QYJIKUIUSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",BTGPDGNORXGZJQ-QYJIKUIUSA-N
HMDB09653,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,43H,3-4,6,8-10,12,14-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1",IOHVBUUHHXDULR,GDJDAYSYSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",IOHVBUUHHXDULR-GDJDAYSYSA-N
HMDB09654,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,43H,3-4,6,8-10,15-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1",DSDFNBMJLLQOEQ,DAHNNJLASA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",DSDFNBMJLLQOEQ-DAHNNJLASA-N
HMDB09655,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27-28,30,43H,3-4,6,8-10,15-16,20,24,26,29,31-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t43-/m1/s1",JPLGUNLXVBKWQW,WXMQXULESA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",JPLGUNLXVBKWQW-WXMQXULESA-N
HMDB09656,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27,43H,3-4,9-10,15-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1",KEFRCPIQJZCWGA,SKROYLCCSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",KEFRCPIQJZCWGA-SKROYLCCSA-N
HMDB09657,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27-28,30,43H,3-4,9-10,15-16,20,24,26,29,31-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t43-/m1/s1",POWJAGNJSUBWMC,DYFMDJBZSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",POWJAGNJSUBWMC-DYFMDJBZSA-N
HMDB09658,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,27,29,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,29-27-/t45-/m1/s1",DGYOASUXFVWDRN,VQEMALBTSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:0)",DGYOASUXFVWDRN-VQEMALBTSA-N
HMDB09659,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,27,29,45H,3-4,6,8-10,12,14-16,21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,29-27-/t45-/m1/s1",XLYAEBCMTCDSEA,NIVNKCBGSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",XLYAEBCMTCDSEA-NIVNKCBGSA-N
HMDB09660,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,27,29,45H,3-4,6,8-10,15-16,21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t45-/m1/s1",VOGWQUUEKFADAQ,RMQUXEPASA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))",VOGWQUUEKFADAQ-RMQUXEPASA-N
HMDB09661,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,26-29,32,34,45H,3-4,6,8-10,12,14-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1",JZFNPJNGSYTSEK,CNZUHYCWSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",JZFNPJNGSYTSEK-CNZUHYCWSA-N
HMDB09662,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,45H,3-4,6,8-10,15-16,21,23,25,30-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t45-/m1/s1",JIHBLLLGNIQSGL,LFLJSXEASA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))",JIHBLLLGNIQSGL-LFLJSXEASA-N
HMDB09663,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,32,34,45H,3-4,6,8-10,15-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1",OFUYRANTFBERIU,UDJYKACNSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",OFUYRANTFBERIU-UDJYKACNSA-N
HMDB09664,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,45H,3-4,9-10,15-16,21,23,25,30-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t45-/m1/s1",DMXHYVMDBRGPMH,PAEMSGKESA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",DMXHYVMDBRGPMH-PAEMSGKESA-N
HMDB09665,811.515204861,C47H74NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,32,34,45H,3-4,9-10,15-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1",MMOPEEAETNGGBU,UITKOVCGSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MMOPEEAETNGGBU-UITKOVCGSA-N
HMDB09666,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,47H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,25-23-,31-29-/t47-/m1/s1",HLOWZYIHEMURSM,DWOKAGLHSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:0)",HLOWZYIHEMURSM-DWOKAGLHSA-N
HMDB09667,847.609105245,C49H86NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,47H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t47-/m1/s1",OPOYKSNJNHJFRC,JGIJAIHASA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",OPOYKSNJNHJFRC-JGIJAIHASA-N
HMDB09668,845.593455181,C49H84NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,47H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t47-/m1/s1",CWNQGCOBUDWYFI,ZMRWGNKGSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",CWNQGCOBUDWYFI-ZMRWGNKGSA-N
HMDB09669,841.562155053,C49H80NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,47H,3-4,6,8-10,15-16,21-22,27-28,33-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t47-/m1/s1",QKTWVNBVNIHAPE,LMMIAWSASA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",QKTWVNBVNIHAPE-LMMIAWSASA-N
HMDB09670,839.546504989,C49H78NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,36,38,47H,3-4,6,8-10,15-16,21-22,27-28,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t47-/m1/s1",PLNZHZGJERAPNP,RSLSTHDYSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PLNZHZGJERAPNP-RSLSTHDYSA-N
HMDB09671,839.546504989,C49H78NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,47H,3-4,9-10,15-16,21-22,27-28,33-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t47-/m1/s1",BHIFEUAYWTYALE,SKMQMCGISA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BHIFEUAYWTYALE-SKMQMCGISA-N
HMDB09672,837.530854925,C49H76NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,36,38,47H,3-4,9-10,15-16,21-22,27-28,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t47-/m1/s1",JCLZWTOIRFULGD,TZMBKJFDSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JCLZWTOIRFULGD-TZMBKJFDSA-N
HMDB09673,877.656055437,C51H92NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,49H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,20-18-,27-25-,33-31-/t49-/m1/s1",RPZFNYORYKGEBA,AXLKVSROSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)",RPZFNYORYKGEBA-AXLKVSROSA-N
HMDB09674,875.640405373,C51H90NO8P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,49H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-/t49-/m1/s1",CNNFUSHIVTXORT,ACGQZBCOSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",CNNFUSHIVTXORT-ACGQZBCOSA-N
HMDB09675,749.535940303,C43H76NO7P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,35,38,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,22-21-,26-24-,38-35-/t42-/m1/s1",XTYQGKJWGMJSIC,XZJBHEGYSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0)",XTYQGKJWGMJSIC-XZJBHEGYSA-N
HMDB09676,777.567240431,C45H80NO7P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,37,40,44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1",DHZUMZVZAZYQIW,MVCMTJSTSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0)",DHZUMZVZAZYQIW-MVCMTJSTSA-N
HMDB09677,775.551590367,C45H78NO7P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,26,28,37,40,44H,3-4,6,8-10,12,15,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,16-14-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1",QBDUQNOINHFFSW,GUTIQBPVSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))",QBDUQNOINHFFSW-GUTIQBPVSA-N
HMDB09678,775.551590367,C45H78NO7P,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,26,28,37,40,44H,3-4,6,8-10,12,14-16,21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,20-18-,23-22-,28-26-,40-37-/t44-/m1/s1",MKBJNHCATMRUSP,GTTJCIGDSA,N,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/dm18:1(9Z))",MKBJNHCATMRUSP-GTTJCIGDSA-N
HMDB09679,735.483904733,C41H70NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,27,29,39H,3-4,6,8-10,12,14-15,18,21,23,25-26,28,30-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,17-16-,20-19-,24-22-,29-27-/t39-/m1/s1",SVDIITWOPWBNNU,OWIPZMKZSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)",SVDIITWOPWBNNU-OWIPZMKZSA-N
HMDB09680,733.468254669,C41H68NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,27,29,39H,3-4,6,8-9,14-15,18,21,23,25-26,28,30-38,42H2,1-2H3,(H,45,46)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,29-27-/t39-/m1/s1",QINFFYRWMCWIQU,HEPLYUHHSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",QINFFYRWMCWIQU-HEPLYUHHSA-N
HMDB09681,749.499554797,C42H72NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C42H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,28,30,40H,3-4,6,8-10,12,14-16,19,22,24,26-27,29,31-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-,30-28-/t40-/m1/s1",HQQLWXSWIVOBTJ,IAQNISDJSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)",HQQLWXSWIVOBTJ-IAQNISDJSA-N
HMDB09682,763.515204861,C43H74NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,29,31,41H,3-4,6,8-10,12,14-16,19,22-23,26-28,30,32-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-,21-20-,25-24-,31-29-/t41-/m1/s1",CNFOLWFURRWWGX,HHXXILGKSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",CNFOLWFURRWWGX-HHXXILGKSA-N
HMDB09683,761.499554797,C43H72NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,29,31,41H,3-4,6,8-10,12,15,19,22-23,26-28,30,32-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-,31-29-/t41-/m1/s1",VVOMOCXMJSXXEL,ILCYWYHGSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",VVOMOCXMJSXXEL-ILCYWYHGSA-N
HMDB09684,791.546504989,C45H78NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,43H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t43-/m1/s1",BCQUMXPGAAJTET,MMDTYXNTSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",BCQUMXPGAAJTET-MMDTYXNTSA-N
HMDB09685,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,25,27,31,33,43H,3-4,6,8-10,12,15,18,20,23-24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,19-17-,22-21-,27-25-,33-31-/t43-/m1/s1",BOKUGUNGXBFCNH,CYCUUUHGSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",BOKUGUNGXBFCNH-CYCUUUHGSA-N
HMDB09686,789.530854925,C45H76NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,31,33,43H,3-4,6,8-10,12,14-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1",FXGOEHDEIHUMCP,XNGCGXPYSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",FXGOEHDEIHUMCP-XNGCGXPYSA-N
HMDB09687,787.515204861,C45H74NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,31,33,43H,3-4,6,8-10,15-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1",AULXINVNYCXEKZ,SJRRWGJHSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",AULXINVNYCXEKZ-SJRRWGJHSA-N
HMDB09688,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27-28,30-31,33,43H,3-4,6,8-10,15-16,20,24,26,29,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t43-/m1/s1",RHKUXMRRFDIFRN,XYSDHXCGSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",RHKUXMRRFDIFRN-XYSDHXCGSA-N
HMDB09689,785.499554797,C45H72NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27,31,33,43H,3-4,9-10,15-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1",ILBSQJFZZHCZMX,VCFXZHSHSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",ILBSQJFZZHCZMX-VCFXZHSHSA-N
HMDB09690,783.483904733,C45H70NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27-28,30-31,33,43H,3-4,9-10,15-16,20,24,26,29,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t43-/m1/s1",HLNGYYBWBHYTDR,UUCTVTIYSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",HLNGYYBWBHYTDR-UUCTVTIYSA-N
HMDB09691,819.577805117,C47H82NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,27,29,33,35,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,29-27-,35-33-/t45-/m1/s1",IJBIDDAZNYQSCP,VEHBBKSSSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)",IJBIDDAZNYQSCP-VEHBBKSSSA-N
HMDB09692,817.562155053,C47H80NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,27,29,33,35,45H,3-4,6,8-10,12,14-16,21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,29-27-,35-33-/t45-/m1/s1",XDKADINFYVJPIG,ILWNYAITSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",XDKADINFYVJPIG-ILWNYAITSA-N
HMDB09693,815.546504989,C47H78NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,27,29,33,35,45H,3-4,6,8-10,15-16,21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-,35-33-/t45-/m1/s1",PHQGPBKQGIRWNZ,NEDWBSIHSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))",PHQGPBKQGIRWNZ-NEDWBSIHSA-N
HMDB09694,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,26-29,32-35,45H,3-4,6,8-10,12,14-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1",DNHRAPOUQPUXON,WBYJGDTBSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",DNHRAPOUQPUXON-WBYJGDTBSA-N
HMDB09695,813.530854925,C47H76NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,33,35,45H,3-4,6,8-10,15-16,21,23,25,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t45-/m1/s1",KBLHEEVLFLMHIJ,WBVVUXFISA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))",KBLHEEVLFLMHIJ-WBVVUXFISA-N
HMDB09696,811.515204861,C47H74NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,32-35,45H,3-4,6,8-10,15-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1",ZEMOTHAYXPPBGC,MDRPQKQBSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",ZEMOTHAYXPPBGC-MDRPQKQBSA-N
HMDB09697,811.515204861,C47H74NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,33,35,45H,3-4,9-10,15-16,21,23,25,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t45-/m1/s1",QCAISTNPOXKQTG,MFKHZFFYSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",QCAISTNPOXKQTG-MFKHZFFYSA-N
HMDB09698,809.499554797,C47H72NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,32-35,45H,3-4,9-10,15-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1",CTRNDOXRTRKMSK,WSJZVKEESA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CTRNDOXRTRKMSK-WSJZVKEESA-N
HMDB09699,847.609105245,C49H86NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,35,37,47H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-/t47-/m1/s1",JCURVGAIPCJBGS,LJOFCPEJSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)",JCURVGAIPCJBGS-LJOFCPEJSA-N
HMDB09700,845.593455181,C49H84NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,35,37,47H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-,37-35-/t47-/m1/s1",TZLIHOHUFVBVKM,ZFADNZIISA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",TZLIHOHUFVBVKM-ZFADNZIISA-N
HMDB09701,843.577805117,C49H82NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,35,37,47H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-,37-35-/t47-/m1/s1",LQYABYBRAQVBEG,AMEHDMJMSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",LQYABYBRAQVBEG-AMEHDMJMSA-N
HMDB09702,839.546504989,C49H78NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35,37,47H,3-4,6,8-10,15-16,21-22,27-28,33-34,36,38-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t47-/m1/s1",GLPWLQNNHOYOLQ,RCWXIRNASA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",GLPWLQNNHOYOLQ-RCWXIRNASA-N
HMDB09703,837.530854925,C49H76NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35-38,47H,3-4,6,8-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1",FTEUKRJGBCBWLK,GNWCKAOHSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FTEUKRJGBCBWLK-GNWCKAOHSA-N
HMDB09704,837.530854925,C49H76NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35,37,47H,3-4,9-10,15-16,21-22,27-28,33-34,36,38-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t47-/m1/s1",CILQFQOCUWFRIS,URYHQLEASA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CILQFQOCUWFRIS-URYHQLEASA-N
HMDB09705,835.515204861,C49H74NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,47H,3-4,9-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1",RBDNSJMXMWTPCS,NYUVKXDYSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RBDNSJMXMWTPCS-NYUVKXDYSA-N
HMDB09706,875.640405373,C51H90NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,37,39,49H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,20-18-,27-25-,33-31-,39-37-/t49-/m1/s1",YMXANTWTWUQRLJ,XGZMHBGESA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)",YMXANTWTWUQRLJ-XGZMHBGESA-N
HMDB09707,873.624755309,C51H88NO8P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,37,39,49H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-36,38,40-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t49-/m1/s1",OMJHXRCURSUQPC,UGHFVVAGSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",OMJHXRCURSUQPC-UGHFVVAGSA-N
HMDB09708,747.520290239,C43H74NO7P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,35,38,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30-,38-35-/t42-/m1/s1",CGFAXGUAOSLJRB,XNHMFJFDSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0)",CGFAXGUAOSLJRB-XNHMFJFDSA-N
HMDB09709,775.551590367,C45H78NO7P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",USEPMOIFGHPDNK,MNDXXDKYSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)",USEPMOIFGHPDNK-MNDXXDKYSA-N
HMDB09710,773.535940303,C45H76NO7P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,15,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,16-14-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",VMCLUUPLLQFCRY,VJIHGULMSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))",VMCLUUPLLQFCRY-VJIHGULMSA-N
HMDB09711,773.535940303,C45H76NO7P,[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,14-16,21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,20-18-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",ZXBLMUDRXPFNOK,IZHHWLPXSA,N,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))",ZXBLMUDRXPFNOK-IZHHWLPXSA-N
HMDB09712,775.609105245,C43H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-25-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1",HFZWSHYSKCBHPS,VQJSHJPSSA,N,PE(24:0/14:0),HFZWSHYSKCBHPS-VQJSHJPSSA-N
HMDB09713,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-25-14-12-10-8-6-4-2/h10,12,41H,3-9,11,13-40,44H2,1-2H3,(H,47,48)/b12-10-/t41-/m1/s1",UJDHYDGXZXDWNT,AFHWQMSISA,N,PE(24:0/14:1(9Z)),UJDHYDGXZXDWNT-AFHWQMSISA-N
HMDB09714,789.624755309,C44H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C44H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45)53-44(47)37-35-33-31-29-26-16-14-12-10-8-6-4-2/h42H,3-41,45H2,1-2H3,(H,48,49)/t42-/m1/s1",GOPLDSYYIWWKFH,HUESYALOSA,N,PE(24:0/15:0),GOPLDSYYIWWKFH-HUESYALOSA-N
HMDB09715,803.640405373,C45H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1",BENFRFVBMTXSFG,VZUYHUTRSA,N,PE(24:0/16:0),BENFRFVBMTXSFG-VZUYHUTRSA-N
HMDB09716,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1",CBYMTZPXDKGYJO,LKEIBTGGSA,N,PE(24:0/16:1(9Z)),CBYMTZPXDKGYJO-LKEIBTGGSA-N
HMDB09717,831.671705501,C47H94NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C47H94NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h45H,3-44,48H2,1-2H3,(H,51,52)/t45-/m1/s1",AWMJXBUPIZJELO,WBVITSLISA,N,PE(24:0/18:0),AWMJXBUPIZJELO-WBVITSLISA-N
HMDB09718,829.656055437,C47H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h14,16,45H,3-13,15,17-44,48H2,1-2H3,(H,51,52)/b16-14-/t45-/m1/s1",WQERMEVYOANVIC,BPBQBXHUSA,N,PE(24:0/18:1(11Z)),WQERMEVYOANVIC-BPBQBXHUSA-N
HMDB09719,829.656055437,C47H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h18,25,45H,3-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b25-18-/t45-/m1/s1",HZQGLAQCNUAUPN,NVUUEHDFSA,N,PE(24:0/18:1(9Z)),HZQGLAQCNUAUPN-NVUUEHDFSA-N
HMDB09720,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,45H,3-11,13,15-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b14-12-,25-18-/t45-/m1/s1",QYPGZEKPAXTRRT,KLGOHHKGSA,N,"PE(24:0/18:2(9Z,12Z))",QYPGZEKPAXTRRT-KLGOHHKGSA-N
HMDB09721,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,30,32,45H,3-11,13,15-17,19-24,26-29,31,33-44,48H2,1-2H3,(H,51,52)/b14-12-,25-18-,32-30-/t45-/m1/s1",SDIDHXNFAJIUQC,QCSSUYBGSA,N,"PE(24:0/18:3(6Z,9Z,12Z))",SDIDHXNFAJIUQC-QCSSUYBGSA-N
HMDB09722,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,45H,3-5,7,9-11,13,15-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-/t45-/m1/s1",DRPHJUQOHGTYDX,STJFKRLNSA,N,"PE(24:0/18:3(9Z,12Z,15Z))",DRPHJUQOHGTYDX-STJFKRLNSA-N
HMDB09723,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,30,32,45H,3-5,7,9-11,13,15-17,19-24,26-29,31,33-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-,32-30-/t45-/m1/s1",FQVRKPDZCAVVID,IAANGQKASA,N,"PE(24:0/18:4(6Z,9Z,12Z,15Z))",FQVRKPDZCAVVID-IAANGQKASA-N
HMDB09724,859.703005629,C49H98NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h47H,3-46,50H2,1-2H3,(H,53,54)/t47-/m1/s1",XHBLCCOKQORVAN,QZNUWAOFSA,N,PE(24:0/20:0),XHBLCCOKQORVAN-QZNUWAOFSA-N
HMDB09725,857.687355565,C49H96NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h18,20,47H,3-17,19,21-46,50H2,1-2H3,(H,53,54)/b20-18-/t47-/m1/s1",GNOYNFDFCPWLJO,KDNXRFBZSA,N,PE(24:0/20:1(11Z)),GNOYNFDFCPWLJO-KDNXRFBZSA-N
HMDB09726,855.671705501,C49H94NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47H,3-11,13,15-17,19,21-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-/t47-/m1/s1",PYWXTILYROZUDF,YVQAKMNISA,N,"PE(24:0/20:2(11Z,14Z))",PYWXTILYROZUDF-YVQAKMNISA-N
HMDB09727,853.656055437,C49H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h18,20,28,30,34,36,47H,3-17,19,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b20-18-,30-28-,36-34-/t47-/m1/s1",XREUYXSAYLGIRF,SYJXIAQSSA,N,"PE(24:0/20:3(5Z,8Z,11Z))",XREUYXSAYLGIRF-SYJXIAQSSA-N
HMDB09728,853.656055437,C49H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,28,30,47H,3-11,13,15-17,19,21-27,29,31-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,30-28-/t47-/m1/s1",FSRSODSJCLYQCG,UMSTXXMDSA,N,"PE(24:0/20:3(8Z,11Z,14Z))",FSRSODSJCLYQCG-UMSTXXMDSA-N
HMDB09729,851.640405373,C49H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,28,30,34,36,47H,3-11,13,15-17,19,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,30-28-,36-34-/t47-/m1/s1",GESKNGDAHOOUNS,UDJXVDAQSA,N,"PE(24:0/20:4(5Z,8Z,11Z,14Z))",GESKNGDAHOOUNS-UDJXVDAQSA-N
HMDB09730,851.640405373,C49H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,28,30,47H,3-5,7,9-11,13,15-17,19,21-27,29,31-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,30-28-/t47-/m1/s1",XDYQJJJMHMWXMC,FEVQISPJSA,N,"PE(24:0/20:4(8Z,11Z,14Z,17Z))",XDYQJJJMHMWXMC-FEVQISPJSA-N
HMDB09731,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,28,30,34,36,47H,3-5,7,9-11,13,15-17,19,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,30-28-,36-34-/t47-/m1/s1",LCOHLLHCHKOAFN,VNJNDTHMSA,N,"PE(24:0/20:5(5Z,8Z,11Z,14Z,17Z))",LCOHLLHCHKOAFN-VNJNDTHMSA-N
HMDB09732,887.734305757,C51H102NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H102NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h49H,3-48,52H2,1-2H3,(H,55,56)/t49-/m1/s1",VGOUDAJITPXSDE,ANFMRNGASA,N,PE(24:0/22:0),VGOUDAJITPXSDE-ANFMRNGASA-N
HMDB09733,885.718655693,C51H100NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,49H,3-17,19,21-48,52H2,1-2H3,(H,55,56)/b20-18-/t49-/m1/s1",RHAPRUHNQFILFY,WXNGPCRQSA,N,PE(24:0/22:1(13Z)),RHAPRUHNQFILFY-WXNGPCRQSA-N
HMDB09734,883.703005629,C51H98NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C51H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,49H,3-11,13,15-17,19,21-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-/t49-/m1/s1",ISEWQTISSHVGAJ,GITDPHJVSA,N,"PE(24:0/22:2(13Z,16Z))",ISEWQTISSHVGAJ-GITDPHJVSA-N
HMDB09735,879.671705501,C51H94NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C51H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,28,32,34,49H,3-11,13,15-17,19,21-24,26-27,29-31,33,35-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-,28-25-,34-32-/t49-/m1/s1",UUXSDNYLSGUXQP,KFZUCYONSA,N,"PE(24:0/22:4(7Z,10Z,13Z,16Z))",UUXSDNYLSGUXQP-KFZUCYONSA-N
HMDB09736,877.656055437,C51H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,28,32,34,38,40,49H,3-11,13,15-17,19,21-24,26-27,29-31,33,35-37,39,41-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-,28-25-,34-32-,40-38-/t49-/m1/s1",QWHHAXHYIAYPSM,AFSFTRKRSA,N,"PE(24:0/22:5(4Z,7Z,10Z,13Z,16Z))",QWHHAXHYIAYPSM-AFSFTRKRSA-N
HMDB09737,877.656055437,C51H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,28,32,34,49H,3-5,7,9-11,13,15-17,19,21-24,26-27,29-31,33,35-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,20-18-,28-25-,34-32-/t49-/m1/s1",YLGSTUWATWOWLX,MWOJALSNSA,N,"PE(24:0/22:5(7Z,10Z,13Z,16Z,19Z))",YLGSTUWATWOWLX-MWOJALSNSA-N
HMDB09738,875.640405373,C51H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,28,32,34,38,40,49H,3-5,7,9-11,13,15-17,19,21-24,26-27,29-31,33,35-37,39,41-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,20-18-,28-25-,34-32-,40-38-/t49-/m1/s1",RICWMZWFFVFUBL,GVQAQHIFSA,N,"PE(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RICWMZWFFVFUBL-GVQAQHIFSA-N
HMDB09739,915.765605885,C53H106NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H106NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51H,3-50,54H2,1-2H3,(H,57,58)/t51-/m1/s1",BZUNRSOACSOEBT,NLXJDERGSA,N,PE(24:0/24:0),BZUNRSOACSOEBT-NLXJDERGSA-N
HMDB09740,913.749955821,C53H104NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H104NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,51H,3-17,19,21-50,54H2,1-2H3,(H,57,58)/b20-18-/t51-/m1/s1",MTYZXHQAIRJTJM,PVKRUZGSSA,N,PE(24:0/24:1(15Z)),MTYZXHQAIRJTJM-PVKRUZGSSA-N
HMDB09741,787.645490751,C45H90NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C45H90NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h37,40,44H,3-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b40-37-/t44-/m1/s1",GAOSRCJVUQVVGC,AZRNAUBQSA,N,PE(24:0/P-16:0),GAOSRCJVUQVVGC-AZRNAUBQSA-N
HMDB09742,815.676790879,C47H94NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C47H94NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h39,42,46H,3-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b42-39-/t46-/m1/s1",LVQLPAUEAJEJDJ,SUCXLRAGSA,N,PE(24:0/P-18:0),LVQLPAUEAJEJDJ-SUCXLRAGSA-N
HMDB09743,813.661140815,C47H92NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h14,16,39,42,46H,3-13,15,17-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b16-14-,42-39-/t46-/m1/s1",PUVBEVMEGFFJNG,RWLNHGTRSA,N,PE(24:0/P-18:1(11Z)),PUVBEVMEGFFJNG-RWLNHGTRSA-N
HMDB09744,813.661140815,C47H92NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h18,20,39,42,46H,3-17,19,21-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b20-18-,42-39-/t46-/m1/s1",FDNBNZKFCQMVCM,RZMAMCSTSA,N,PE(24:0/P-18:1(9Z)),FDNBNZKFCQMVCM-RZMAMCSTSA-N
HMDB09745,773.593455181,C43H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-25-14-12-10-8-6-4-2/h16-17,41H,3-15,18-40,44H2,1-2H3,(H,47,48)/b17-16-/t41-/m1/s1",HNZTVXMGKFBWNB,SJWLXQKBSA,N,PE(24:1(15Z)/14:0),HNZTVXMGKFBWNB-SJWLXQKBSA-N
HMDB09746,771.577805117,C43H82NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-25-14-12-10-8-6-4-2/h10,12,16-17,41H,3-9,11,13-15,18-40,44H2,1-2H3,(H,47,48)/b12-10-,17-16-/t41-/m1/s1",LYQNHUUXGYHXPH,KBELHWENSA,N,PE(24:1(15Z)/14:1(9Z)),LYQNHUUXGYHXPH-KBELHWENSA-N
HMDB09747,787.609105245,C44H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C44H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45)53-44(47)37-35-33-31-29-26-16-14-12-10-8-6-4-2/h17-18,42H,3-16,19-41,45H2,1-2H3,(H,48,49)/b18-17-/t42-/m1/s1",FLWFZAGAZMHZQM,IVWGLPAOSA,N,PE(24:1(15Z)/15:0),FLWFZAGAZMHZQM-IVWGLPAOSA-N
HMDB09748,801.624755309,C45H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h17-18,43H,3-16,19-42,46H2,1-2H3,(H,49,50)/b18-17-/t43-/m1/s1",XIUIMHKCALMPAK,YMELWFSDSA,N,PE(24:1(15Z)/16:0),XIUIMHKCALMPAK-YMELWFSDSA-N
HMDB09749,799.609105245,C45H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h14,16-18,43H,3-13,15,19-42,46H2,1-2H3,(H,49,50)/b16-14-,18-17-/t43-/m1/s1",QNUZBFZZIVHZLP,YPNROAEISA,N,PE(24:1(15Z)/16:1(9Z)),QNUZBFZZIVHZLP-YPNROAEISA-N
HMDB09750,829.656055437,C47H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h17,19,45H,3-16,18,20-44,48H2,1-2H3,(H,51,52)/b19-17-/t45-/m1/s1",RGOKPDDCTKFCPM,XMGJQEBSSA,N,PE(24:1(15Z)/18:0),RGOKPDDCTKFCPM-XMGJQEBSSA-N
HMDB09751,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,45H,3-13,15,18,20-44,48H2,1-2H3,(H,51,52)/b16-14-,19-17-/t45-/m1/s1",PYADYLPYOPJSLG,WXXVOXPVSA,N,PE(24:1(15Z)/18:1(11Z)),PYADYLPYOPJSLG-WXXVOXPVSA-N
HMDB09752,827.640405373,C47H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h17-19,25,45H,3-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b19-17-,25-18-/t45-/m1/s1",FMOWVDYLHOGBCK,MMXIDJDVSA,N,PE(24:1(15Z)/18:1(9Z)),FMOWVDYLHOGBCK-MMXIDJDVSA-N
HMDB09753,825.624755309,C47H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,45H,3-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-/t45-/m1/s1",BCNDGUIVFJJLQK,PTCCBAGUSA,N,"PE(24:1(15Z)/18:2(9Z,12Z))",BCNDGUIVFJJLQK-PTCCBAGUSA-N
HMDB09754,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,30,32,45H,3-11,13,15-16,20-24,26-29,31,33-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-,32-30-/t45-/m1/s1",ARDSACOKBLRDGU,HOQCGXQOSA,N,"PE(24:1(15Z)/18:3(6Z,9Z,12Z))",ARDSACOKBLRDGU-HOQCGXQOSA-N
HMDB09755,823.609105245,C47H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,45H,3-5,7,9-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,25-18-/t45-/m1/s1",ZSZUMTHLGQVSNA,SBQDDQETSA,N,"PE(24:1(15Z)/18:3(9Z,12Z,15Z))",ZSZUMTHLGQVSNA-SBQDDQETSA-N
HMDB09756,821.593455181,C47H84NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,30,32,45H,3-5,7,9-11,13,15-16,20-24,26-29,31,33-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,25-18-,32-30-/t45-/m1/s1",UDGAPAIDIJRPJY,WURSJIFCSA,N,"PE(24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",UDGAPAIDIJRPJY-WURSJIFCSA-N
HMDB09757,857.687355565,C49H96NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17,19,47H,3-16,18,20-46,50H2,1-2H3,(H,53,54)/b19-17-/t47-/m1/s1",CIZWOIPPQITKAD,YMTWRDBNSA,N,PE(24:1(15Z)/20:0),CIZWOIPPQITKAD-YMTWRDBNSA-N
HMDB09758,855.671705501,C49H94NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17-20,47H,3-16,21-46,50H2,1-2H3,(H,53,54)/b19-17-,20-18-/t47-/m1/s1",DPJYQFAWVNFPDN,FRWASNMLSA,N,PE(24:1(15Z)/20:1(11Z)),DPJYQFAWVNFPDN-FRWASNMLSA-N
HMDB09759,853.656055437,C49H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47H,3-11,13,15-16,21-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-/t47-/m1/s1",XXFSQQBOVKSJFP,DIBSRUJTSA,N,"PE(24:1(15Z)/20:2(11Z,14Z))",XXFSQQBOVKSJFP-DIBSRUJTSA-N
HMDB09760,851.640405373,C49H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17-20,28,30,34,36,47H,3-16,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b19-17-,20-18-,30-28-,36-34-/t47-/m1/s1",NCCZIMISZHQEJX,FMLVJNRLSA,N,"PE(24:1(15Z)/20:3(5Z,8Z,11Z))",NCCZIMISZHQEJX-FMLVJNRLSA-N
HMDB09761,851.640405373,C49H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,28,30,47H,3-11,13,15-16,21-27,29,31-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,30-28-/t47-/m1/s1",VUHNPVPFHXGWOS,ALDBSMAFSA,N,"PE(24:1(15Z)/20:3(8Z,11Z,14Z))",VUHNPVPFHXGWOS-ALDBSMAFSA-N
HMDB09762,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,28,30,34,36,47H,3-11,13,15-16,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,30-28-,36-34-/t47-/m1/s1",MCZRDBFKKYTTRA,NXSABASRSA,N,"PE(24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",MCZRDBFKKYTTRA-NXSABASRSA-N
HMDB09763,849.624755309,C49H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,28,30,47H,3-5,7,9-11,13,15-16,21-27,29,31-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,30-28-/t47-/m1/s1",KFVQLYMWYGWBGT,VOIAQAQUSA,N,"PE(24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",KFVQLYMWYGWBGT-VOIAQAQUSA-N
HMDB09764,847.609105245,C49H86NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,28,30,34,36,47H,3-5,7,9-11,13,15-16,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,30-28-,36-34-/t47-/m1/s1",IRBUEWXRBXCECW,MCTXEKMYSA,N,"PE(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IRBUEWXRBXCECW-MCTXEKMYSA-N
HMDB09765,885.718655693,C51H100NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,49H,3-16,18,20-48,52H2,1-2H3,(H,55,56)/b19-17-/t49-/m1/s1",FSIZPPLKRWBAOT,TZYIPVKFSA,N,PE(24:1(15Z)/22:0),FSIZPPLKRWBAOT-TZYIPVKFSA-N
HMDB09766,883.703005629,C51H98NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h17-20,49H,3-16,21-48,52H2,1-2H3,(H,55,56)/b19-17-,20-18-/t49-/m1/s1",FQMTWNFCSOZTTO,CGACMRCQSA,N,PE(24:1(15Z)/22:1(13Z)),FQMTWNFCSOZTTO-CGACMRCQSA-N
HMDB09767,881.687355565,C51H96NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C51H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,49H,3-11,13,15-16,21-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-/t49-/m1/s1",RNFHVQZPAYLGCQ,DGQABRSQSA,N,"PE(24:1(15Z)/22:2(13Z,16Z))",RNFHVQZPAYLGCQ-DGQABRSQSA-N
HMDB09768,877.656055437,C51H92NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,28,32,34,49H,3-11,13,15-16,21-24,26-27,29-31,33,35-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-,28-25-,34-32-/t49-/m1/s1",LYWXYJYROVHFOA,HXCJZMEISA,N,"PE(24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",LYWXYJYROVHFOA-HXCJZMEISA-N
HMDB09769,875.640405373,C51H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,28,32,34,38,40,49H,3-11,13,15-16,21-24,26-27,29-31,33,35-37,39,41-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-,28-25-,34-32-,40-38-/t49-/m1/s1",KDWFCIJIWYJNGO,GPLGEDOHSA,N,"PE(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KDWFCIJIWYJNGO-GPLGEDOHSA-N
HMDB09770,875.640405373,C51H90NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,28,32,34,49H,3-5,7,9-11,13,15-16,21-24,26-27,29-31,33,35-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,19-17-,20-18-,28-25-,34-32-/t49-/m1/s1",DBBFAONNSIANLW,HLYTZMLOSA,N,"PE(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DBBFAONNSIANLW-HLYTZMLOSA-N
HMDB09771,873.624755309,C51H88NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,28,32,34,38,40,49H,3-5,7,9-11,13,15-16,21-24,26-27,29-31,33,35-37,39,41-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,19-17-,20-18-,28-25-,34-32-,40-38-/t49-/m1/s1",SUMRWJCKVFVVQS,XYJAYEPJSA,N,"PE(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SUMRWJCKVFVVQS-XYJAYEPJSA-N
HMDB09772,913.749955821,C53H104NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H104NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,51H,3-16,18,20-50,54H2,1-2H3,(H,57,58)/b19-17-/t51-/m1/s1",JZXSVMHUXKEUFV,BZVMUSGZSA,N,PE(24:1(15Z)/24:0),JZXSVMHUXKEUFV-BZVMUSGZSA-N
HMDB09773,911.734305757,C53H102NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H102NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,51H,3-16,21-50,54H2,1-2H3,(H,57,58)/b19-17-,20-18-/t51-/m1/s1",REBNGRCYRVOPFC,ANJASHEISA,N,PE(24:1(15Z)/24:1(15Z)),REBNGRCYRVOPFC-ANJASHEISA-N
HMDB09774,785.629840687,C45H88NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,"InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1",IRQYAOIWNUYCOT,NAPHWOKNSA,N,PE(24:1(15Z)/P-16:0),IRQYAOIWNUYCOT-NAPHWOKNSA-N
HMDB09775,813.661140815,C47H92NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h17,19,39,42,46H,3-16,18,20-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b19-17-,42-39-/t46-/m1/s1",VVMRKSBYKOKGHU,ROGYXVMDSA,N,PE(24:1(15Z)/P-18:0),VVMRKSBYKOKGHU-ROGYXVMDSA-N
HMDB09776,811.645490751,C47H90NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,"InChI=1S/C47H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42,46H,3-13,15,18,20-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b16-14-,19-17-,42-39-/t46-/m1/s1",FZPOLSQPUNAZMN,BDWKZNQPSA,N,PE(24:1(15Z)/P-18:1(11Z)),FZPOLSQPUNAZMN-BDWKZNQPSA-N
HMDB09777,811.645490751,C47H90NO7P,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h17-20,39,42,46H,3-16,21-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b19-17-,20-18-,42-39-/t46-/m1/s1",FAEYIXWOZKBCOW,BRXUZWRZSA,N,PE(24:1(15Z)/P-18:1(9Z)),FAEYIXWOZKBCOW-BRXUZWRZSA-N
HMDB09778,810.525829126,C41H79O13P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36?,37-,38?,39?,40?,41-/m1/s1",IBUKXRINTKQBRQ,NBURIUCMSA,N,PI(16:0/16:0),IBUKXRINTKQBRQ-NBURIUCMSA-N
HMDB09779,808.510179062,C41H77O13P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,33,36-41,44-48H,3-13,15,17-32H2,1-2H3,(H,49,50)/b16-14-/t33-,36?,37-,38?,39?,40?,41-/m1/s1",QAWXBJDYTIBLRK,KHSFEHQMSA,N,PI(16:0/16:1(9Z)),QAWXBJDYTIBLRK-KHSFEHQMSA-N
HMDB09780,806.494528998,C41H75O13P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC,"InChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h8,10,14,16,33,36-41,44-48H,3-7,9,11-13,15,17-32H2,1-2H3,(H,49,50)/b10-8-,16-14-/t33-,36?,37-,38?,39?,40?,41-/m1/s1",XVAYDAQDXIWIQD,NUHINHKHSA,N,"PI(16:0/16:2(9Z,12Z))",XVAYDAQDXIWIQD-NUHINHKHSA-N
HMDB09781,838.557129254,C43H83O13P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H83O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38-43,46-50H,3-34H2,1-2H3,(H,51,52)/t35-,38?,39-,40?,41?,42?,43-/m1/s1",NEXFZIYXCPIHEF,HGTJTCKHSA,N,PI(16:0/18:0),NEXFZIYXCPIHEF-HGTJTCKHSA-N
HMDB09782,836.54147919,C43H81O13P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35,38-43,46-50H,3-12,14,16-34H2,1-2H3,(H,51,52)/b15-13-/t35-,38?,39-,40?,41?,42?,43-/m1/s1",YVNORLDGMYIHEG,YXPBIPRFSA,N,PI(16:0/18:1(11Z)),YVNORLDGMYIHEG-YXPBIPRFSA-N
HMDB09783,836.54147919,C43H81O13P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1",PDLAMJKMOKWLAJ,AGORXRROSA,N,PI(16:0/18:1(9Z)),PDLAMJKMOKWLAJ-AGORXRROSA-N
HMDB09784,834.525829126,C43H79O13P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b13-11-,18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1",BSNJSZUDOMPYIR,KOHXHNRGSA,N,"PI(16:0/18:2(9Z,12Z))",BSNJSZUDOMPYIR-KOHXHNRGSA-N
HMDB09785,866.588429382,C45H87O13P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40?,41-,42?,43?,44?,45-/m1/s1",RWZGSUKHWVGIAM,SNXKPFKBSA,N,PI(16:0/20:0),RWZGSUKHWVGIAM-SNXKPFKBSA-N
HMDB09786,862.557129254,C45H83O13P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,37,40-45,48-52H,3-10,12,14-16,19-36H2,1-2H3,(H,53,54)/b13-11-,18-17-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",UJENRFPZRNBKKL,UWKRNJIGSA,N,"PI(16:0/20:2(11Z,14Z))",UJENRFPZRNBKKL-UWKRNJIGSA-N
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HMDB09803,834.525829126,C43H79O13P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h8,10,14,16,35,38-43,46-50H,3-7,9,11-13,15,17-34H2,1-2H3,(H,51,52)/b10-8-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1",SNOZAAYCRWKDET,NYQWBNQISA,N,"PI(16:2(9Z,12Z)/18:0)",SNOZAAYCRWKDET-NYQWBNQISA-N
HMDB09804,884.54147919,C47H81O13P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,39,42-47,50-54H,3-7,9,12,15,19,22-38H2,1-2H3,(H,55,56)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",DMWGXPQFZLCNSP,LVRSVQNSSA,N,"PI(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))",DMWGXPQFZLCNSP-LVRSVQNSSA-N
HMDB09805,838.557129254,C43H83O13P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H83O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38-43,46-50H,3-34H2,1-2H3,(H,51,52)/t35-,38?,39-,40?,41?,42?,43-/m1/s1",AWOYEONIQYBDHZ,HGTJTCKHSA,N,PI(18:0/16:0),AWOYEONIQYBDHZ-HGTJTCKHSA-N
HMDB09806,836.54147919,C43H81O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,35,38-43,46-50H,3-13,15,17-34H2,1-2H3,(H,51,52)/b16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1",QMAMEGDTQPWOEM,FVTXIWCXSA,N,PI(18:0/16:1(9Z)),QMAMEGDTQPWOEM-FVTXIWCXSA-N
HMDB09807,834.525829126,C43H79O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC,"InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h8,10,14,16,35,38-43,46-50H,3-7,9,11-13,15,17-34H2,1-2H3,(H,51,52)/b10-8-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1",YWDSWFNICPHDCI,NYQWBNQISA,N,"PI(18:0/16:2(9Z,12Z))",YWDSWFNICPHDCI-NYQWBNQISA-N
HMDB09808,866.588429382,C45H87O13P,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40?,41-,42?,43?,44?,45-/m1/s1",FQZQXPXKJFOAGE,SNXKPFKBSA,N,PI(18:0/18:0),FQZQXPXKJFOAGE-SNXKPFKBSA-N
HMDB09809,862.557129254,C45H83O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40-45,48-52H,3-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",KZVRAFHIKMDULK,PDPKURFXSA,N,"PI(18:0/18:2(9Z,12Z))",KZVRAFHIKMDULK-PDPKURFXSA-N
HMDB09810,860.54147919,C45H81O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,37,40-45,48-52H,3-11,13,15-17,19,21-23,25,27-36H2,1-2H3,(H,53,54)/b14-12-,20-18-,26-24-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",WSWLAMCUBAIQKH,XZMLFBLDSA,N,"PI(18:0/18:3(6Z,9Z,12Z))",WSWLAMCUBAIQKH-XZMLFBLDSA-N
HMDB09811,860.54147919,C45H81O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,37,40-45,48-52H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",ULRXGRJFRFBBDW,ORXDMRBTSA,N,"PI(18:0/18:3(9Z,12Z,15Z))",ULRXGRJFRFBBDW-ORXDMRBTSA-N
HMDB09812,890.588429382,C47H87O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,39,42-47,50-54H,3-10,12,14-16,18,20-38H2,1-2H3,(H,55,56)/b13-11-,19-17-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",RZFIPFIGUWXYNB,LFAJGPILSA,N,"PI(18:0/20:2(11Z,14Z))",RZFIPFIGUWXYNB-LFAJGPILSA-N
HMDB09813,888.572779318,C47H85O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,39,42-47,50-54H,3-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",BSTMJEKBGMABBW,SVOBYVNYSA,N,"PI(18:0/20:3(5Z,8Z,11Z))",BSTMJEKBGMABBW-SVOBYVNYSA-N
HMDB09814,888.572779318,C47H85O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",ZUGLBBVIAIBIKG,JOXDCNDISA,N,"PI(18:0/20:3(8Z,11Z,14Z))",ZUGLBBVIAIBIKG-JOXDCNDISA-N
HMDB09815,886.557129254,C47H83O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",KRTOMQDUKGRFDJ,MWZLTEOLSA,N,"PI(18:0/20:4(5Z,8Z,11Z,14Z))",KRTOMQDUKGRFDJ-MWZLTEOLSA-N
HMDB09816,886.557129254,C47H83O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",OJESNYFIPWSOPO,MTPIFTEDSA,N,"PI(18:0/20:4(8Z,11Z,14Z,17Z))",OJESNYFIPWSOPO-MTPIFTEDSA-N
HMDB09817,914.588429382,C49H87O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",VTYLJIRGLIZEIC,AFBXMZPGSA,N,"PI(18:0/22:4(10Z,13Z,16Z,19Z))",VTYLJIRGLIZEIC-AFBXMZPGSA-N
HMDB09818,914.588429382,C49H87O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,41,44-49,52-56H,3-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,22-21-,28-26-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",YHRFCKNOQBDBPJ,QPGCQHQDSA,N,"PI(18:0/22:4(7Z,10Z,13Z,16Z))",YHRFCKNOQBDBPJ-QPGCQHQDSA-N
HMDB09819,912.572779318,C49H85O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,41,44-49,52-56H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,22-21-,28-26-,34-32-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",MQRZIONTIPBTLX,WYVFJCPGSA,N,"PI(18:0/22:5(4Z,7Z,10Z,13Z,16Z))",MQRZIONTIPBTLX-WYVFJCPGSA-N
HMDB09820,912.572779318,C49H85O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,28-26-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",QLABQLNIHHHJCI,JXVQEMOWSA,N,"PI(18:0/22:5(7Z,10Z,13Z,16Z,19Z))",QLABQLNIHHHJCI-JXVQEMOWSA-N
HMDB09821,910.557129254,C49H83O13P,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",DJVOKHFQPGWUPK,CZUMARSRSA,N,"PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DJVOKHFQPGWUPK-CZUMARSRSA-N
HMDB09822,836.54147919,C43H81O13P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,35,38-43,46-50H,3-12,14,16-34H2,1-2H3,(H,51,52)/b15-13-/t35-,38?,39-,40?,41?,42?,43-/m1/s1",BMGNJDVZBKRPAW,YXPBIPRFSA,N,PI(18:1(11Z)/16:0),BMGNJDVZBKRPAW-YXPBIPRFSA-N
HMDB09823,834.525829126,C43H79O13P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13-16,35,38-43,46-50H,3-12,17-34H2,1-2H3,(H,51,52)/b15-13-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1",OFWQGVZVLYOZNF,IZGNVWOTSA,N,PI(18:1(11Z)/16:1(9Z)),OFWQGVZVLYOZNF-IZGNVWOTSA-N
HMDB09824,862.557129254,C45H83O13P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37,40-45,48-52H,3-12,17-36H2,1-2H3,(H,53,54)/b15-13-,16-14-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",HJXLLSHIQZPQLZ,BESHNSGQSA,N,PI(18:1(11Z)/18:1(11Z)),HJXLLSHIQZPQLZ-BESHNSGQSA-N
HMDB09825,862.557129254,C45H83O13P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,37,40-45,48-52H,3-12,14,16-17,19,21-36H2,1-2H3,(H,53,54)/b15-13-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",FTAJUMMOKVEZBE,BPSMPOADSA,N,PI(18:1(11Z)/18:1(9Z)),FTAJUMMOKVEZBE-BPSMPOADSA-N
HMDB09826,860.54147919,C45H81O13P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,37,40-45,48-52H,3-11,16-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,15-13-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",FBGOQPZREDXNKQ,VRNJWAGZSA,N,"PI(18:1(11Z)/18:2(9Z,12Z))",FBGOQPZREDXNKQ-VRNJWAGZSA-N
HMDB09827,858.525829126,C45H79O13P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,37,40-45,48-52H,3-11,16-17,19,21-23,25,27-36H2,1-2H3,(H,53,54)/b14-12-,15-13-,20-18-,26-24-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",IMEOCGXNCGMQIG,QQXGMZICSA,N,"PI(18:1(11Z)/18:3(6Z,9Z,12Z))",IMEOCGXNCGMQIG-QQXGMZICSA-N
HMDB09828,858.525829126,C45H79O13P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,37,40-45,48-52H,3-5,7,9-11,16-17,19,21-36H2,1-2H3,(H,53,54)/b8-6-,14-12-,15-13-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",XOCJWQRCSPVKML,XDPJAJCUSA,N,"PI(18:1(11Z)/18:3(9Z,12Z,15Z))",XOCJWQRCSPVKML-XDPJAJCUSA-N
HMDB09829,890.588429382,C47H87O13P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42-47,50-54H,3-13,15,18,20-38H2,1-2H3,(H,55,56)/b16-14-,19-17-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",SXPDBRFJJRRQQQ,HXXVDQFPSA,N,PI(18:1(11Z)/20:1(11Z)),SXPDBRFJJRRQQQ-HXXVDQFPSA-N
HMDB09830,886.557129254,C47H83O13P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,39,42-47,50-54H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b16-14-,19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",LQOUCIOTQDTGNO,FBILJRGDSA,N,"PI(18:1(11Z)/20:3(5Z,8Z,11Z))",LQOUCIOTQDTGNO-FBILJRGDSA-N
HMDB09831,886.557129254,C47H83O13P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,39,42-47,50-54H,3-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b13-11-,16-14-,19-17-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",HRIGUEOTNBMWNX,FEWKZSOUSA,N,"PI(18:1(11Z)/20:3(8Z,11Z,14Z))",HRIGUEOTNBMWNX-FEWKZSOUSA-N
HMDB09832,884.54147919,C47H81O13P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,39,42-47,50-54H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,16-14-,19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",SSZPKZKUQCKMKS,YDHZRSOTSA,N,"PI(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",SSZPKZKUQCKMKS-YDHZRSOTSA-N
HMDB09833,884.54147919,C47H81O13P,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,39,42-47,50-54H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,16-14-,19-17-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",HKZUQGZNSPCSAQ,JRRRANSLSA,N,"PI(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",HKZUQGZNSPCSAQ-JRRRANSLSA-N
HMDB09834,836.54147919,C43H81O13P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1",OMXOIOYCKGNFST,AGORXRROSA,N,PI(18:1(9Z)/16:0),OMXOIOYCKGNFST-AGORXRROSA-N
HMDB09835,834.525829126,C43H79O13P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,35,38-43,46-50H,3-13,15,19-34H2,1-2H3,(H,51,52)/b16-14-,18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1",BDRPKQLVISVUCU,UZBWDOCNSA,N,PI(18:1(9Z)/16:1(9Z)),BDRPKQLVISVUCU-UZBWDOCNSA-N
HMDB09836,862.557129254,C45H83O13P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40-45,48-52H,3-13,15,18,20-36H2,1-2H3,(H,53,54)/b16-14-,19-17-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",LORSZBNSYOKZNV,RCVIVVFUSA,N,PI(18:1(9Z)/18:1(11Z)),LORSZBNSYOKZNV-RCVIVVFUSA-N
HMDB09837,862.557129254,C45H83O13P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40-45,48-52H,3-16,21-36H2,1-2H3,(H,53,54)/b19-17-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",LALGUHSIWLNTNW,SHLWDWSJSA,N,PI(18:1(9Z)/18:1(9Z)),LALGUHSIWLNTNW-SHLWDWSJSA-N
HMDB09838,860.54147919,C45H81O13P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,37,40-45,48-52H,3-11,13,15-16,21-36H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",MXJMOLQIXMJUEL,KRVWYVMSSA,N,"PI(18:1(9Z)/18:2(9Z,12Z))",MXJMOLQIXMJUEL-KRVWYVMSSA-N
HMDB09839,858.525829126,C45H79O13P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,37,40-45,48-52H,3-11,13,15-16,21-23,25,27-36H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,26-24-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",QQQIZZJWFPGZFU,XZJTVJSISA,N,"PI(18:1(9Z)/18:3(6Z,9Z,12Z))",QQQIZZJWFPGZFU-XZJTVJSISA-N
HMDB09840,858.525829126,C45H79O13P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,37,40-45,48-52H,3-5,7,9-11,13,15-16,21-36H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1",GOWNAKLKHNFBLL,UJAKPBMDSA,N,"PI(18:1(9Z)/18:3(9Z,12Z,15Z))",GOWNAKLKHNFBLL-UJAKPBMDSA-N
HMDB09841,890.588429382,C47H87O13P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,39,42-47,50-54H,3-16,20,22-38H2,1-2H3,(H,55,56)/b19-17-,21-18-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",UUZAEHIJWDBCIA,KIRWWLEESA,N,PI(18:1(9Z)/20:1(11Z)),UUZAEHIJWDBCIA-KIRWWLEESA-N
HMDB09842,886.557129254,C47H83O13P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,39,42-47,50-54H,3-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b19-17-,21-18-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",UAMKTZVXBAQZPT,UUMWKJOESA,N,"PI(18:1(9Z)/20:3(5Z,8Z,11Z))",UAMKTZVXBAQZPT-UUMWKJOESA-N
HMDB09843,886.557129254,C47H83O13P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,39,42-47,50-54H,3-10,12,14-16,20,23,25-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,21-18-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",WTRAJKINRRDLTR,YRUQOAMLSA,N,"PI(18:1(9Z)/20:3(8Z,11Z,14Z))",WTRAJKINRRDLTR-YRUQOAMLSA-N
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HMDB09900,886.557129254,C47H83O13P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,23-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",RMRCTNVEDOWEQF,ZJBJTBMOSA,N,"PI(20:4(8Z,11Z,14Z,17Z)/18:0)",RMRCTNVEDOWEQF-ZJBJTBMOSA-N
HMDB09901,884.54147919,C47H81O13P,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,39,42-47,50-54H,3-4,6,8-10,12,15,18,20-21,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,16-14-,19-17-,23-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",VIGFKXLWKPBIQI,PJZWFLMOSA,N,"PI(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",VIGFKXLWKPBIQI-PJZWFLMOSA-N
HMDB09902,884.54147919,C47H81O13P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,39,42-47,50-54H,3-4,6,8-10,12,14-16,20,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,21-18-,23-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",AQKOQLPXFXZLKF,WNCVJLDNSA,N,"PI(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",AQKOQLPXFXZLKF-WNCVJLDNSA-N
HMDB09903,914.588429382,C49H87O13P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20-22,24,26-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,25-23-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",JTNNZVJMTLLBQF,XXIUKWHKSA,N,"PI(20:4(8Z,11Z,14Z,17Z)/20:0)",JTNNZVJMTLLBQF-XXIUKWHKSA-N
HMDB09904,912.572779318,C49H85O13P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,41,44-49,52-56H,3-4,6,8-10,12,14-16,21-22,24,26-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,20-18-,25-23-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",DFVYHWRJXSIHDY,ZCGUXCHRSA,N,"PI(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",DFVYHWRJXSIHDY-ZCGUXCHRSA-N
HMDB09905,890.588429382,C47H87O13P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42-47,50-54H,3-10,12,14-16,19-38H2,1-2H3,(H,55,56)/b13-11-,18-17-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",WCMFLJINGZIEAR,HOPZLNLWSA,N,"PI(22:2(13Z,16Z)/16:0)",WCMFLJINGZIEAR-HOPZLNLWSA-N
HMDB09906,914.588429382,C49H87O13P,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44-49,52-56H,3-10,15-16,20-22,24-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,23-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",YMVJQMHRDDWISR,VYAQFWOSSA,N,"PI(22:2(13Z,16Z)/18:2(9Z,12Z))",YMVJQMHRDDWISR-VYAQFWOSSA-N
HMDB09907,888.572779318,C47H85O13P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,39,42-47,50-54H,3-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",MHKWHDPIKFAACP,NYRYSPHWSA,N,"PI(22:3(10Z,13Z,16Z)/16:0)",MHKWHDPIKFAACP-NYRYSPHWSA-N
HMDB09908,884.54147919,C47H81O13P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC,"InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,39,42-47,50-54H,3-7,9,12,15,19,22-38H2,1-2H3,(H,55,56)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",QRJDLXBDGZQKAL,LVRSVQNSSA,N,"PI(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))",QRJDLXBDGZQKAL-LVRSVQNSSA-N
HMDB09909,912.572779318,C49H85O13P,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,41,44-49,52-56H,3-10,15-16,20,24-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,22-21-,23-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",QEXGQJPSYREGSR,LDSFHNRKSA,N,"PI(22:3(10Z,13Z,16Z)/18:2(9Z,12Z))",QEXGQJPSYREGSR-LDSFHNRKSA-N
HMDB09910,910.557129254,C49H83O13P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,28,30,41,44-49,52-56H,3-10,15-16,20,24-27,29,31-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,22-21-,23-18-,30-28-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",CEVXKPYOEMAOPG,JUSPWNQSSA,N,"PI(22:3(10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",CEVXKPYOEMAOPG-JUSPWNQSSA-N
HMDB09911,910.557129254,C49H83O13P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,41,44-49,52-56H,3-5,7,9-10,15-16,20,24-40H2,1-2H3,(H,57,58)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",OMBBFDFDCMFWTB,YMBWUVAOSA,N,"PI(22:3(10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",OMBBFDFDCMFWTB-YMBWUVAOSA-N
HMDB09912,886.557129254,C47H83O13P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",LSWFFTVQFBDTAC,HACPKTPBSA,N,"PI(22:4(10Z,13Z,16Z,19Z)/16:0)",LSWFFTVQFBDTAC-HACPKTPBSA-N
HMDB09913,914.588429382,C49H87O13P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",AAYSYQLAQZJKRL,AFBXMZPGSA,N,"PI(22:4(10Z,13Z,16Z,19Z)/18:0)",AAYSYQLAQZJKRL-AFBXMZPGSA-N
HMDB09914,886.557129254,C47H83O13P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,39,42-47,50-54H,3-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-,25-24-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",BRQUDGADXJYXCW,AJBVXFDOSA,N,"PI(22:4(7Z,10Z,13Z,16Z)/16:0)",BRQUDGADXJYXCW-AJBVXFDOSA-N
HMDB09915,914.588429382,C49H87O13P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,41,44-49,52-56H,3-10,12,14-16,18,20,23-24,26,28-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,22-21-,27-25-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",CRHVNDIIVMMHRQ,CJXRWIEJSA,N,"PI(22:4(7Z,10Z,13Z,16Z)/18:0)",CRHVNDIIVMMHRQ-CJXRWIEJSA-N
HMDB09916,884.54147919,C47H81O13P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,29,31,39,42-47,50-54H,3-10,12,14-16,19,22-23,26-28,30,32-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-,25-24-,31-29-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",RQOVEBMFWCAUPR,RTEDXGKZSA,N,"PI(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",RQOVEBMFWCAUPR-RTEDXGKZSA-N
HMDB09917,912.572779318,C49H85O13P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,31,33,41,44-49,52-56H,3-10,12,14-16,18,20,23-24,26,28-30,32,34-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,22-21-,27-25-,33-31-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",GBJROMSEYGIAPN,NSNXJURNSA,N,"PI(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",GBJROMSEYGIAPN-NSNXJURNSA-N
HMDB09918,884.54147919,C47H81O13P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-,25-24-/t39-,42?,43-,44?,45?,46?,47-/m1/s1",YNZSTCIWFMYXJU,XDOZVXPWSA,N,"PI(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",YNZSTCIWFMYXJU-XDOZVXPWSA-N
HMDB09919,912.572779318,C49H85O13P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,27-25-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",JKBGMGRETGIHEV,LHACAUHCSA,N,"PI(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",JKBGMGRETGIHEV-LHACAUHCSA-N
HMDB09920,910.557129254,C49H83O13P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O,"InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t41-,44?,45-,46?,47?,48?,49-/m1/s1",QSUYYEJLNWCMIO,SIZJMFNESA,N,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",QSUYYEJLNWCMIO-SIZJMFNESA-N
HMDB09922,966.523459664,C47H84O16P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17-18,20-21,39,42-47,50-53H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",OXBDQZJHLRKLND,COINVZCISA,N,"PIP(16:0/22:4(10Z,13Z,16Z,19Z))",OXBDQZJHLRKLND-COINVZCISA-N
HMDB09923,918.523459664,C43H84O16P2,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H84O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h35,38-43,46-49H,3-34H2,1-2H3,(H,53,54)(H2,50,51,52)/t35-,38?,39?,40?,41?,42-,43+/m1/s1",WRYRQEZJZJDDMR,CILQWCOCSA,N,PIP(16:0/18:0),WRYRQEZJZJDDMR-CILQWCOCSA-N
HMDB09924,916.5078096,C43H82O16P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H82O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h13,15,35,38-43,46-49H,3-12,14,16-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b15-13-/t35-,38?,39?,40?,41?,42-,43+/m1/s1",ADNOEWQILXJUAP,KZIPDRLFSA,N,PIP(16:0/18:1(11Z)),ADNOEWQILXJUAP-KZIPDRLFSA-N
HMDB09925,916.5078096,C43H82O16P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h17-18,35,38-43,46-49H,3-16,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b18-17-/t35-,38?,39?,40?,41?,42-,43+/m1/s1",YCJUQKBIQUCHID,IIOIPOTESA,N,PIP[3'](16:0/18:1(9Z)),YCJUQKBIQUCHID-IIOIPOTESA-N
HMDB09926,914.492159536,C43H80O16P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h11,13,17-18,35,38-43,46-49H,3-10,12,14-16,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,18-17-/t35-,38?,39?,40?,41?,42-,43+/m1/s1",GGTCSXOVHHAZTG,UXQBZAKQSA,N,"PIP(16:0/18:2(9Z,12Z))",GGTCSXOVHHAZTG-UXQBZAKQSA-N
HMDB09927,944.539109728,C45H86O16P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17-18,37,40-45,48-51H,3-16,19-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b18-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",CQUTWGGAXSGBCU,VDSNGLLSSA,N,PIP(16:0/20:1(11Z)),CQUTWGGAXSGBCU-VDSNGLLSSA-N
HMDB09928,942.523459664,C45H84O16P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,37,40-45,48-51H,3-10,12,14-16,19-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",PDGYWIUVBBIOKN,ZVASIDSISA,N,"PIP(16:0/20:2(11Z,14Z))",PDGYWIUVBBIOKN-ZVASIDSISA-N
HMDB09929,940.5078096,C45H82O16P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17-18,20,22,26,28,37,40-45,48-51H,3-16,19,21,23-25,27,29-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b18-17-,22-20-,28-26-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",VOQFKPYODYTQPY,TZGNISLQSA,N,"PIP(16:0/20:3(5Z,8Z,11Z))",VOQFKPYODYTQPY-TZGNISLQSA-N
HMDB09930,940.5078096,C45H82O16P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,20,22,37,40-45,48-51H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-,22-20-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",KGCZGJHMHNLZHF,SPLGFAMRSA,N,"PIP(16:0/20:3(8Z,11Z,14Z))",KGCZGJHMHNLZHF-SPLGFAMRSA-N
HMDB09931,938.492159536,C45H80O16P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,20,22,26,28,37,40-45,48-51H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-,22-20-,28-26-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",QNWUGTOTQIGTJN,RFBUQXKESA,N,"PIP(16:0/20:4(5Z,8Z,11Z,14Z))",QNWUGTOTQIGTJN-RFBUQXKESA-N
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HMDB09952,940.5078096,C45H82O16P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h12,14,18,20,24,26,37,40-45,48-51H,3-11,13,15-17,19,21-23,25,27-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b14-12-,20-18-,26-24-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",KDKGDGWOVUFBBB,QEXOWQMYSA,N,"PIP(18:0/18:3(6Z,9Z,12Z))",KDKGDGWOVUFBBB-QEXOWQMYSA-N
HMDB09953,940.5078096,C45H82O16P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h6,8,12,14,18,20,37,40-45,48-51H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b8-6-,14-12-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",KFWDHEJMINKGBX,CFVBTEIUSA,N,"PIP(18:0/18:3(9Z,12Z,15Z))",KFWDHEJMINKGBX-CFVBTEIUSA-N
HMDB09954,1042.575889164,C50H92O18P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C50H92O18P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(53)66-42(40-64-43(52)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)39-63-37-41(51)38-65-70(61,62)68-50-47(56)45(54)46(55)49(48(50)57)67-69(58,59)60/h17,19,22,24,28,30,41-42,45-51,54-57H,3-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,61,62)(H2,58,59,60)/b19-17-,24-22-,30-28-/t41-,42+,45?,46?,47?,48?,49-,50+/m1/s1",SXRFZGSZAMPCNU,ACKMREAHSA,N,"PIP(18:0/20:3(5Z,8Z,11Z))",SXRFZGSZAMPCNU-ACKMREAHSA-N
HMDB09955,1042.575889164,C50H92O18P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H92O18P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(53)66-42(40-64-43(52)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)39-63-37-41(51)38-65-70(61,62)68-50-47(56)45(54)46(55)49(48(50)57)67-69(58,59)60/h11,13,17,19,22,24,41-42,45-51,54-57H,3-10,12,14-16,18,20-21,23,25-40H2,1-2H3,(H,61,62)(H2,58,59,60)/b13-11-,19-17-,24-22-/t41-,42+,45?,46?,47?,48?,49-,50+/m1/s1",SPAXWSCFUJSJSQ,KCUGDNNRSA,N,"PIP(18:0/20:3(8Z,11Z,14Z))",SPAXWSCFUJSJSQ-KCUGDNNRSA-N
HMDB09956,966.523459664,C47H84O16P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17,19,22,24,28,30,39,42-47,50-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",JUNGBTKNDVCWEU,GZUKCKGZSA,N,"PIP(18:0/20:4(5Z,8Z,11Z,14Z))",JUNGBTKNDVCWEU-GZUKCKGZSA-N
HMDB09957,966.523459664,C47H84O16P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17,19,22,24,39,42-47,50-53H,3-4,6,8-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,19-17-,24-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",ZYQGGPOZVJMKGZ,QPFMDERUSA,N,"PIP(18:0/20:4(8Z,11Z,14Z,17Z))",ZYQGGPOZVJMKGZ-QPFMDERUSA-N
HMDB09958,916.5078096,C43H82O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C43H82O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h13,15,35,38-43,46-49H,3-12,14,16-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b15-13-/t35-,38?,39?,40?,41?,42-,43+/m1/s1",YQKZSIKHFWQPCD,KZIPDRLFSA,N,PIP(18:1(11Z)/16:0),YQKZSIKHFWQPCD-KZIPDRLFSA-N
HMDB09959,914.492159536,C43H80O16P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h13-16,35,38-43,46-49H,3-12,17-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b15-13-,16-14-/t35-,38?,39?,40?,41?,42-,43+/m1/s1",JCMXPVXKKYJZSF,LBWJGPEZSA,N,PIP(18:1(11Z)/16:1(9Z)),JCMXPVXKKYJZSF-LBWJGPEZSA-N
HMDB09960,944.539109728,C45H86O16P2,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h13,15,37,40-45,48-51H,3-12,14,16-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b15-13-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",QLAFCMPTICKMJT,RGIMSVJPSA,N,PIP(18:1(11Z)/18:0),QLAFCMPTICKMJT-RGIMSVJPSA-N
HMDB09961,942.523459664,C45H84O16P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h13-16,37,40-45,48-51H,3-12,17-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b15-13-,16-14-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",FXNPWXLEBSHGMS,OYBHJSNRSA,N,PIP(18:1(11Z)/18:1(11Z)),FXNPWXLEBSHGMS-OYBHJSNRSA-N
HMDB09962,942.523459664,C45H84O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h13,15,18,20,37,40-45,48-51H,3-12,14,16-17,19,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b15-13-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",NJFASERGTLSFTB,DFWRKXRISA,N,PIP(18:1(11Z)/18:1(9Z)),NJFASERGTLSFTB-DFWRKXRISA-N
HMDB09963,940.5078096,C45H82O16P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h12-15,18,20,37,40-45,48-51H,3-11,16-17,19,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b14-12-,15-13-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",IITQMTJXKDKBMH,ADSDDBDOSA,N,"PIP(18:1(11Z)/18:2(9Z,12Z))",IITQMTJXKDKBMH-ADSDDBDOSA-N
HMDB09964,1012.528938972,C48H86O18P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H86O18P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(50)62-38-40(64-42(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-61-35-39(49)36-63-68(59,60)66-48-45(54)43(52)44(53)47(46(48)55)65-67(56,57)58/h12-15,18,20,24,26,39-40,43-49,52-55H,3-11,16-17,19,21-23,25,27-38H2,1-2H3,(H,59,60)(H2,56,57,58)/b14-12-,15-13-,20-18-,26-24-/t39-,40+,43?,44?,45?,46?,47-,48+/m1/s1",ARAXYXFWZUUGJF,WDTHDBMJSA,N,"PIP(18:1(11Z)/18:3(6Z,9Z,12Z))",ARAXYXFWZUUGJF-WDTHDBMJSA-N
HMDB09965,966.523459664,C47H84O16P2,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h14,16-17,19,22,24,28,30,39,42-47,50-53H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",VMUXJCJTANDNLJ,SKOVWSDZSA,N,"PIP(18:1(11Z)/20:3(5Z,8Z,11Z))",VMUXJCJTANDNLJ-SKOVWSDZSA-N
HMDB09966,966.523459664,C47H84O16P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13-14,16-17,19,22,24,39,42-47,50-53H,3-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,16-14-,19-17-,24-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",FNRVZZIQRKZPPZ,JOCIXSKQSA,N,"PIP(18:1(11Z)/20:3(8Z,11Z,14Z))",FNRVZZIQRKZPPZ-JOCIXSKQSA-N
HMDB09967,964.5078096,C47H82O16P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13-14,16-17,19,22,24,28,30,39,42-47,50-53H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",HYVUWABQXJGFQJ,VBJXKZGFSA,N,"PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",HYVUWABQXJGFQJ-VBJXKZGFSA-N
HMDB09968,964.5078096,C47H82O16P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13-14,16-17,19,22,24,39,42-47,50-53H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,16-14-,19-17-,24-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",IUSCKGCLPPZNJV,AGDXFSKASA,N,"PIP(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",IUSCKGCLPPZNJV-AGDXFSKASA-N
HMDB09969,970.554759792,C47H88O16P2,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h14,16-17,19,39,42-47,50-53H,3-13,15,18,20-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b16-14-,19-17-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",JWGWABWZMACJHR,UWRIDJATSA,N,PIP(18:1(15Z)/20:1(11Z)),JWGWABWZMACJHR-UWRIDJATSA-N
HMDB09970,916.5078096,C43H82O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C43H82O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h17-18,35,38-43,46-49H,3-16,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b18-17-/t35-,38?,39?,40?,41?,42-,43+/m1/s1",HMCNHIZVSBCVJX,IIOIPOTESA,N,PIP(18:1(9Z)/16:0),HMCNHIZVSBCVJX-IIOIPOTESA-N
HMDB09971,914.492159536,C43H80O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h14,16-18,35,38-43,46-49H,3-13,15,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b16-14-,18-17-/t35-,38?,39?,40?,41?,42-,43+/m1/s1",ZWEJBLOUKBVSNN,XXTLSXRPSA,N,PIP(18:1(9Z)/16:1(9Z)),ZWEJBLOUKBVSNN-XXTLSXRPSA-N
HMDB09972,944.539109728,C45H86O16P2,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17,19,37,40-45,48-51H,3-16,18,20-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b19-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",CRCVHZNACRWLHX,MLLAQRRISA,N,PIP(18:1(9Z)/18:0),CRCVHZNACRWLHX-MLLAQRRISA-N
HMDB09973,942.523459664,C45H84O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h14,16-17,19,37,40-45,48-51H,3-13,15,18,20-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b16-14-,19-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",CWBPXSYAXXDIRU,FIDSIGNCSA,N,PIP(18:1(9Z)/18:1(11Z)),CWBPXSYAXXDIRU-FIDSIGNCSA-N
HMDB09974,942.523459664,C45H84O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17-20,37,40-45,48-51H,3-16,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b19-17-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",ISKUBHYPLQMTBH,HTTWJMIOSA,N,PIP(18:1(9Z)/18:1(9Z)),ISKUBHYPLQMTBH-HTTWJMIOSA-N
HMDB09976,940.5078096,C45H82O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h12,14,17-20,37,40-45,48-51H,3-11,13,15-16,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b14-12-,19-17-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",ASPZKIKNIURMBD,SVYYWGQHSA,N,"PIP(18:1(9Z)/18:2(9Z,12Z))",ASPZKIKNIURMBD-SVYYWGQHSA-N
HMDB09977,970.554759792,C47H88O16P2,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h17-19,21,39,42-47,50-53H,3-16,20,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b19-17-,21-18-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",NGFFAYZPAIMXGV,YYGQWNSUSA,N,PIP(18:1(9Z)/20:1(11Z)),NGFFAYZPAIMXGV-YYGQWNSUSA-N
HMDB09978,966.523459664,C47H84O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h17-19,21-22,24,28,30,39,42-47,50-53H,3-16,20,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",SBTOWWNSWNYKNB,OMQMJACBSA,N,"PIP(18:1(9Z)/20:3(5Z,8Z,11Z))",SBTOWWNSWNYKNB-OMQMJACBSA-N
HMDB09979,966.523459664,C47H84O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-19,21-22,24,39,42-47,50-53H,3-10,12,14-16,20,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,21-18-,24-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",JHBSQAGOZKRLNS,VBRQAZFCSA,N,"PIP(18:1(9Z)/20:3(8Z,11Z,14Z))",JHBSQAGOZKRLNS-VBRQAZFCSA-N
HMDB09980,964.5078096,C47H82O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-19,21-22,24,28,30,39,42-47,50-53H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",DSHOJOFLYDETMO,UIEQPXRLSA,N,"PIP(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",DSHOJOFLYDETMO-UIEQPXRLSA-N
HMDB09981,964.5078096,C47H82O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17-19,21-22,24,39,42-47,50-53H,3-4,6,8-10,12,14-16,20,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,19-17-,21-18-,24-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",LSGOLENEQURALO,ONQLLYTDSA,N,"PIP(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",LSGOLENEQURALO-ONQLLYTDSA-N
HMDB09982,1012.528938972,C48H86O18P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H86O18P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(50)62-38-40(64-42(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-61-35-39(49)36-63-68(59,60)66-48-45(54)43(52)44(53)47(46(48)55)65-67(56,57)58/h12,14,17-20,24,26,39-40,43-49,52-55H,3-11,13,15-16,21-23,25,27-38H2,1-2H3,(H,59,60)(H2,56,57,58)/b14-12-,19-17-,20-18-,26-24-/t39-,40+,43?,44?,45?,46?,47-,48+/m1/s1",DUFSYGTYTBEWOA,JUTZXEHGSA,N,"PIP(18:1(9Z)/18:3(6Z,9Z,12Z))",DUFSYGTYTBEWOA-JUTZXEHGSA-N
HMDB09983,914.492159536,C43H80O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h11,13,17-18,35,38-43,46-49H,3-10,12,14-16,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,18-17-/t35-,38?,39?,40?,41?,42-,43+/m1/s1",RIRBEBRBKNOOOM,UXQBZAKQSA,N,"PIP(18:2(9Z,12Z)/16:0)",RIRBEBRBKNOOOM-UXQBZAKQSA-N
HMDB09984,942.523459664,C45H84O16P2,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17,19,37,40-45,48-51H,3-10,12,14-16,18,20-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,19-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",FGIULWWXUVRBPD,HYWAIWLASA,N,"PIP(18:2(9Z,12Z)/18:0)",FGIULWWXUVRBPD-HYWAIWLASA-N
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HMDB09986,940.5078096,C45H82O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-20,37,40-45,48-51H,3-10,12,14-16,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,19-17-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",JAHGVDGPQJXFFR,ISTYUNIQSA,N,"PIP(18:2(9Z,12Z)/18:1(9Z))",JAHGVDGPQJXFFR-ISTYUNIQSA-N
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HMDB09998,944.539109728,C45H86O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17-18,37,40-45,48-51H,3-16,19-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b18-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",ZWXSQAICJRDKEI,VDSNGLLSSA,N,PIP(20:1(11Z)/16:0),ZWXSQAICJRDKEI-VDSNGLLSSA-N
HMDB09999,970.554759792,C47H88O16P2,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h14,16-17,19,39,42-47,50-53H,3-13,15,18,20-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b16-14-,19-17-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",XXEOHQLIZDLQGC,UWRIDJATSA,N,PIP(20:1(11Z)/18:1(11Z)),XXEOHQLIZDLQGC-UWRIDJATSA-N
HMDB10000,970.554759792,C47H88O16P2,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h17-19,21,39,42-47,50-53H,3-16,20,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b19-17-,21-18-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",PSOUCAKLVLSNHK,YYGQWNSUSA,N,PIP(20:1(11Z)/18:1(9Z)),PSOUCAKLVLSNHK-YYGQWNSUSA-N
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HMDB10003,942.523459664,C45H84O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,37,40-45,48-51H,3-10,12,14-16,19-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",KUFGURKACZGYHD,ZVASIDSISA,N,"PIP(20:2(11Z,14Z)/16:0)",KUFGURKACZGYHD-ZVASIDSISA-N
HMDB10004,966.523459664,C47H84O16P2,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11-14,17-19,21,39,42-47,50-53H,3-10,15-16,20,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,14-12-,19-17-,21-18-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",VCGITGMFRAYFBH,OKKCUIBNSA,N,"PIP(20:2(11Z,14Z)/18:2(9Z,12Z))",VCGITGMFRAYFBH-OKKCUIBNSA-N
HMDB10005,940.5078096,C45H82O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17-18,20,22,25,27,37,40-45,48-51H,3-16,19,21,23-24,26,28-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b18-17-,22-20-,27-25-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",DLVUIKBJUFYAAB,ZNCBUXHOSA,N,"PIP(20:3(5Z,8Z,11Z)/16:0)",DLVUIKBJUFYAAB-ZNCBUXHOSA-N
HMDB10006,1042.575889164,C50H92O18P2,CCCCCCCCCCCCCCCCCC(=O)O[C@@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C50H92O18P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-43(52)64-40-42(66-44(53)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-63-37-41(51)38-65-70(61,62)68-50-47(56)45(54)46(55)49(48(50)57)67-69(58,59)60/h17,19,22-23,27,29,41-42,45-51,54-57H,3-16,18,20-21,24-26,28,30-40H2,1-2H3,(H,61,62)(H2,58,59,60)/b19-17-,23-22-,29-27-/t41-,42+,45?,46?,47?,48?,49-,50+/m1/s1",RYVVVONHMHVHPL,XHVFBBMBSA,N,"PIP(20:3(5Z,8Z,11Z)/18:0)",RYVVVONHMHVHPL-XHVFBBMBSA-N
HMDB10007,966.523459664,C47H84O16P2,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h14,16-17,19,22-23,27,29,39,42-47,50-53H,3-13,15,18,20-21,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b16-14-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",SCBKOAYZQVRLFT,KKHATZJGSA,N,"PIP(20:3(5Z,8Z,11Z)/18:1(11Z))",SCBKOAYZQVRLFT-KKHATZJGSA-N
HMDB10008,966.523459664,C47H84O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h17-19,21-23,27,29,39,42-47,50-53H,3-16,20,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",BRWWSVMPJJOHJA,MSGAFLNOSA,N,"PIP(20:3(5Z,8Z,11Z)/18:1(9Z))",BRWWSVMPJJOHJA-MSGAFLNOSA-N
HMDB10009,964.5078096,C47H82O16P2,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h12,14,17-19,21-23,27,29,39,42-47,50-53H,3-11,13,15-16,20,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b14-12-,19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",ADWDSNPEVQFTCZ,UZJRALDGSA,N,"PIP(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",ADWDSNPEVQFTCZ-UZJRALDGSA-N
HMDB10010,940.5078096,C45H82O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,20,22,37,40-45,48-51H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-,22-20-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",HWOFINSYICVUTB,SPLGFAMRSA,N,"PIP(20:3(8Z,11Z,14Z)/16:0)",HWOFINSYICVUTB-SPLGFAMRSA-N
HMDB10011,1042.575889164,C50H92O18P2,CCCCCCCCCCCCCCCCCC(=O)O[C@@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H92O18P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-43(52)64-40-42(66-44(53)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-63-37-41(51)38-65-70(61,62)68-50-47(56)45(54)46(55)49(48(50)57)67-69(58,59)60/h11,13,17,19,22-23,41-42,45-51,54-57H,3-10,12,14-16,18,20-21,24-40H2,1-2H3,(H,61,62)(H2,58,59,60)/b13-11-,19-17-,23-22-/t41-,42+,45?,46?,47?,48?,49-,50+/m1/s1",UCSYXFZNQZOBNC,BPIQBMJASA,N,"PIP(20:3(8Z,11Z,14Z)/18:0)",UCSYXFZNQZOBNC-BPIQBMJASA-N
HMDB10012,966.523459664,C47H84O16P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13-14,16-17,19,22-23,39,42-47,50-53H,3-10,12,15,18,20-21,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,16-14-,19-17-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",MVWNLYZFHGCHBQ,LXHOTFSXSA,N,"PIP(20:3(8Z,11Z,14Z)/18:1(11Z))",MVWNLYZFHGCHBQ-LXHOTFSXSA-N
HMDB10013,966.523459664,C47H84O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-19,21-23,39,42-47,50-53H,3-10,12,14-16,20,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",BZTUKUOZLDPEPU,RMSYZKEHSA,N,"PIP(20:3(8Z,11Z,14Z)/18:1(9Z))",BZTUKUOZLDPEPU-RMSYZKEHSA-N
HMDB10014,964.5078096,C47H82O16P2,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11-14,17-19,21-23,39,42-47,50-53H,3-10,15-16,20,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,14-12-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",UDBHISQKBBUHBY,KJBBDEEASA,N,"PIP(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))",UDBHISQKBBUHBY-KJBBDEEASA-N
HMDB10015,938.492159536,C45H80O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,20,22,25,27,37,40-45,48-51H,3-10,12,14-16,19,21,23-24,26,28-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-,22-20-,27-25-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",AEEHLCZZIFPYLR,UFAYWEDKSA,N,"PIP(20:4(5Z,8Z,11Z,14Z)/16:0)",AEEHLCZZIFPYLR-UFAYWEDKSA-N
HMDB10016,966.523459664,C47H84O16P2,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17,19,22-23,27,29,39,42-47,50-53H,3-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",MLFSKNFUFHTKFQ,FQMXUVQSSA,N,"PIP(20:4(5Z,8Z,11Z,14Z)/18:0)",MLFSKNFUFHTKFQ-FQMXUVQSSA-N
HMDB10017,964.5078096,C47H82O16P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13-14,16-17,19,22-23,27,29,39,42-47,50-53H,3-10,12,15,18,20-21,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,16-14-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",ZBOISUBPSBSUHC,AXYGGPQBSA,N,"PIP(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",ZBOISUBPSBSUHC-AXYGGPQBSA-N
HMDB10018,964.5078096,C47H82O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-19,21-23,27,29,39,42-47,50-53H,3-10,12,14-16,20,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",CMNCZBVJOJFVSQ,QFGPEPGGSA,N,"PIP(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",CMNCZBVJOJFVSQ-QFGPEPGGSA-N
HMDB10019,938.492159536,C45H80O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h5,7,11,13,17-18,20,22,37,40-45,48-51H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b7-5-,13-11-,18-17-,22-20-/t37-,40?,41?,42?,43?,44-,45+/m1/s1",KDLPJBBGAUMNAE,MYJWWVJYSA,N,"PIP(20:4(8Z,11Z,14Z,17Z)/16:0)",KDLPJBBGAUMNAE-MYJWWVJYSA-N
HMDB10020,966.523459664,C47H84O16P2,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17,19,22-23,39,42-47,50-53H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,19-17-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",TZUWZPRSKVMDQR,FVVBJOCESA,N,"PIP(20:4(8Z,11Z,14Z,17Z)/18:0)",TZUWZPRSKVMDQR-FVVBJOCESA-N
HMDB10021,964.5078096,C47H82O16P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13-14,16-17,19,22-23,39,42-47,50-53H,3-4,6,8-10,12,15,18,20-21,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,16-14-,19-17-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",BCCWWJBOARPDDK,IGWZLCOFSA,N,"PIP(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",BCCWWJBOARPDDK-IGWZLCOFSA-N
HMDB10022,964.5078096,C47H82O16P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17-19,21-23,39,42-47,50-53H,3-4,6,8-10,12,14-16,20,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",SHJWDUGSPVAPPV,BVMIVXNASA,N,"PIP(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",SHJWDUGSPVAPPV-BVMIVXNASA-N
HMDB10023,970.554759792,C47H88O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,39,42-47,50-53H,3-10,12,14-16,19-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,18-17-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",IRUVBUYWSSKKPM,ADDDISLLSA,N,"PIP(22:2(13Z,16Z)/16:0)",IRUVBUYWSSKKPM-ADDDISLLSA-N
HMDB10024,964.5078096,C47H82O16P2,CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h8,10-11,13-14,16-18,20-21,39,42-47,50-53H,3-7,9,12,15,19,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",SMQRIMFQRNEPRY,CNKIVFCLSA,N,"PIP(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))",SMQRIMFQRNEPRY-CNKIVFCLSA-N
HMDB10027,966.523459664,C47H84O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17-18,20-21,39,42-47,50-53H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",YWZVHTNPPVGJPJ,COINVZCISA,N,"PIP(22:4(10Z,13Z,16Z,19Z)/16:0)",YWZVHTNPPVGJPJ-COINVZCISA-N
HMDB10028,966.523459664,C47H84O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,20-21,24-25,39,42-47,50-53H,3-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,18-17-,21-20-,25-24-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",UBUOCDTWNIYADQ,OKSCNLBRSA,N,"PIP(22:4(7Z,10Z,13Z,16Z)/16:0)",UBUOCDTWNIYADQ-OKSCNLBRSA-N
HMDB10029,964.5078096,C47H82O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,20-21,24-25,29,31,39,42-47,50-53H,3-10,12,14-16,19,22-23,26-28,30,32-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,18-17-,21-20-,25-24-,31-29-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",NSWPGCYYQQRJIP,GWMBGZSDSA,N,"PIP(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",NSWPGCYYQQRJIP-GWMBGZSDSA-N
HMDB10030,964.5078096,C47H82O16P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17-18,20-21,24-25,39,42-47,50-53H,3-4,6,8-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,18-17-,21-20-,25-24-/t39-,42?,43?,44?,45?,46-,47+/m1/s1",PKRRHXBABWJYKG,DDBNWLJCSA,N,"PIP(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",PKRRHXBABWJYKG-DDBNWLJCSA-N
HMDB10032,970.458489946,C41H81O19P3,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(O)(O)=O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36?,37?,38?,39+,40?,41+/m1/s1",HKWJHKSHEWVOSS,ADCMPYHFSA,N,PIP2(16:0/16:0),HKWJHKSHEWVOSS-ADCMPYHFSA-N
HMDB10033,968.442839882,C41H79O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H79O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h14,16,33,36-41,44-46H,3-13,15,17-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b16-14-/t33-,36?,37?,38?,39+,40?,41+/m1/s1",RXWJULSAXOVSMY,ZQPDWHBSSA,N,PIP2(16:0/16:1(9Z)),RXWJULSAXOVSMY-ZQPDWHBSSA-N
HMDB10034,966.427189818,C41H77O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC,"InChI=1S/C41H77O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h8,10,14,16,33,36-41,44-46H,3-7,9,11-13,15,17-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b10-8-,16-14-/t33-,36?,37?,38?,39+,40?,41+/m1/s1",WIEOPUXGFYHYFE,SBVOMWEXSA,N,"PIP2(16:0/16:2(9Z,12Z))",WIEOPUXGFYHYFE-SBVOMWEXSA-N
HMDB10035,998.489790074,C43H85O19P3,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(O)(O)=O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H85O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h35,38-43,46-48H,3-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/t35-,38?,39?,40?,41+,42?,43+/m1/s1",YWQDMMFQDDLESQ,NXVRDOABSA,N,PIP2(16:0/18:0),YWQDMMFQDDLESQ-NXVRDOABSA-N
HMDB10036,996.47414001,C43H83O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h13,15,35,38-43,46-48H,3-12,14,16-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b15-13-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",CLHCYGPNJHZDRS,OLRVBNOISA,N,PIP2(16:0/18:1(11Z)),CLHCYGPNJHZDRS-OLRVBNOISA-N
HMDB10037,996.47414001,C43H83O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h17-18,35,38-43,46-48H,3-16,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",IQWUGLVLOWHAIC,YXSWCGMVSA,N,PIP2(16:0/18:1(9Z)),IQWUGLVLOWHAIC-YXSWCGMVSA-N
HMDB10038,994.458489946,C43H81O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h11,13,17-18,35,38-43,46-48H,3-10,12,14-16,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b13-11-,18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",XZCFZVXGBBSASG,UHPFVWAWSA,N,"PIP2(16:0/18:2(9Z,12Z))",XZCFZVXGBBSASG-UHPFVWAWSA-N
HMDB10039,1024.505440138,C45H87O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-18,37,40-45,48-50H,3-16,19-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b18-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",HMLDFXMNDDOXMX,NXYSBMGMSA,N,PIP2(16:0/20:1(11Z)),HMLDFXMNDDOXMX-NXYSBMGMSA-N
HMDB10040,1022.489790074,C45H85O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,37,40-45,48-50H,3-10,12,14-16,19-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",BQQMPYJVCSLFGU,LPIGCCKESA,N,"PIP2(16:0/20:2(11Z,14Z))",BQQMPYJVCSLFGU-LPIGCCKESA-N
HMDB10041,1020.47414001,C45H83O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-18,20,22,26,28,37,40-45,48-50H,3-16,19,21,23-25,27,29-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b18-17-,22-20-,28-26-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",UEYZWXKHQLGDSX,FJMTXDJRSA,N,"PIP2(16:0/20:3(5Z,8Z,11Z))",UEYZWXKHQLGDSX-FJMTXDJRSA-N
HMDB10042,1020.47414001,C45H83O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,20,22,37,40-45,48-50H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-,22-20-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",QZIWMNAVFAEPCB,LBJPALPMSA,N,"PIP2(16:0/20:3(8Z,11Z,14Z))",QZIWMNAVFAEPCB-LBJPALPMSA-N
HMDB10043,1018.458489946,C45H81O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,20,22,26,28,37,40-45,48-50H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-,22-20-,28-26-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",XEFOVXQFKRPNOF,LIMBFJNFSA,N,"PIP2(16:0/20:4(5Z,8Z,11Z,14Z))",XEFOVXQFKRPNOF-LIMBFJNFSA-N
HMDB10044,1018.458489946,C45H81O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h5,7,11,13,17-18,20,22,37,40-45,48-50H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,18-17-,22-20-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",SQCJLIDZRVDNPB,ZEMARTOLSA,N,"PIP2(16:0/20:4(8Z,11Z,14Z,17Z))",SQCJLIDZRVDNPB-ZEMARTOLSA-N
HMDB10045,1050.521090202,C47H89O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,39,42-47,50-52H,3-10,12,14-16,19-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",SHGMQWUTBRMYTF,GBBOEYBKSA,N,"PIP2(16:0/22:2(13Z,16Z))",SHGMQWUTBRMYTF-GBBOEYBKSA-N
HMDB10046,1048.505440138,C47H87O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,39,42-47,50-52H,3-10,12,14-16,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",JPEMFPCFNDKASK,FFDUEBCISA,N,"PIP2(16:0/22:3(10Z,13Z,16Z))",JPEMFPCFNDKASK-FFDUEBCISA-N
HMDB10047,1046.489790074,C47H85O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-18,20-21,39,42-47,50-52H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",UMIWHGZMBAYHGH,KPBDWNDJSA,N,"PIP2(16:0/22:4(10Z,13Z,16Z,19Z))",UMIWHGZMBAYHGH-KPBDWNDJSA-N
HMDB10048,1046.489790074,C47H85O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,24,26,39,42-47,50-52H,3-10,12,14-16,19,22-23,25,27-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-,26-24-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",LSCZEXJNHVUTTD,OVGXGOIRSA,N,"PIP2(16:0/22:4(7Z,10Z,13Z,16Z))",LSCZEXJNHVUTTD-OVGXGOIRSA-N
HMDB10049,1044.47414001,C47H83O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,24,26,30,32,39,42-47,50-52H,3-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-,26-24-,32-30-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",UHSRYHPDMMNWNN,XLNLZYDDSA,N,"PIP2(16:0/22:5(4Z,7Z,10Z,13Z,16Z))",UHSRYHPDMMNWNN-XLNLZYDDSA-N
HMDB10050,1044.47414001,C47H83O19P3,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-18,20-21,24,26,39,42-47,50-52H,3-4,6,8-10,12,14-16,19,22-23,25,27-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,18-17-,21-20-,26-24-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",UVRYBXPCBVZAMA,QRDFWRDKSA,N,"PIP2(16:0/22:5(7Z,10Z,13Z,16Z,19Z))",UVRYBXPCBVZAMA-QRDFWRDKSA-N
HMDB10051,968.442839882,C41H79O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C41H79O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h13,15,33,36-41,44-46H,3-12,14,16-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b15-13-/t33-,36?,37?,38?,39+,40?,41+/m1/s1",CJGFXTNRJDPBNX,RFPNSXCGSA,N,PIP2(16:1(9Z)/16:0),CJGFXTNRJDPBNX-RFPNSXCGSA-N
HMDB10052,966.427189818,C41H77O19P3,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H77O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h13-16,33,36-41,44-46H,3-12,17-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b15-13-,16-14-/t33-,36?,37?,38?,39+,40?,41+/m1/s1",WXVUAEKEEKBSMK,ZEHJWQRGSA,N,PIP2(16:1(9Z)/16:1(9Z)),WXVUAEKEEKBSMK-ZEHJWQRGSA-N
HMDB10053,996.47414001,C43H83O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h14,16,35,38-43,46-48H,3-13,15,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",MTJFVJARZNZQPD,GQTHYMFFSA,N,PIP2(16:1(9Z)/18:0),MTJFVJARZNZQPD-GQTHYMFFSA-N
HMDB10054,994.458489946,C43H81O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h13-16,35,38-43,46-48H,3-12,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b15-13-,16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",USTWNVITKYZWJQ,OGWGAMPSSA,N,PIP2(16:1(9Z)/18:1(11Z)),USTWNVITKYZWJQ-OGWGAMPSSA-N
HMDB10055,994.458489946,C43H81O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h14,16-18,35,38-43,46-48H,3-13,15,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b16-14-,18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",RDFHKVSRQVTPND,VZUXUPECSA,N,PIP2(16:1(9Z)/18:1(9Z)),RDFHKVSRQVTPND-VZUXUPECSA-N
HMDB10056,966.427189818,C41H77O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C41H77O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h7,9,13,15,33,36-41,44-46H,3-6,8,10-12,14,16-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b9-7-,15-13-/t33-,36?,37?,38?,39+,40?,41+/m1/s1",GSQABQVBVQXYJH,NSEWCLRNSA,N,"PIP2(16:2(9Z,12Z)/16:0)",GSQABQVBVQXYJH-NSEWCLRNSA-N
HMDB10057,994.458489946,C43H81O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h8,10,14,16,35,38-43,46-48H,3-7,9,11-13,15,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b10-8-,16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",VFLPHYZOQHTWTQ,YZPKZDMMSA,N,"PIP2(16:2(9Z,12Z)/18:0)",VFLPHYZOQHTWTQ-YZPKZDMMSA-N
HMDB10058,1044.47414001,C47H83O19P3,CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h8,10-11,13-14,16-18,20-21,39,42-47,50-52H,3-7,9,12,15,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",SJLOPHYYGZLTGX,OWFBGLHDSA,N,"PIP2(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))",SJLOPHYYGZLTGX-OWFBGLHDSA-N
HMDB10059,998.489790074,C43H85O19P3,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(O)(O)=O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H85O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h35,38-43,46-48H,3-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/t35-,38?,39?,40?,41+,42?,43+/m1/s1",CIKAEWLGOIVQBP,NXVRDOABSA,N,PIP2(18:0/16:0),CIKAEWLGOIVQBP-NXVRDOABSA-N
HMDB10060,996.47414001,C43H83O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h14,16,35,38-43,46-48H,3-13,15,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",SNWHXJLJAIUYCO,GQTHYMFFSA,N,PIP2(18:0/16:1(9Z)),SNWHXJLJAIUYCO-GQTHYMFFSA-N
HMDB10061,994.458489946,C43H81O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC,"InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h8,10,14,16,35,38-43,46-48H,3-7,9,11-13,15,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b10-8-,16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",PCESNWIGHXQWMD,YZPKZDMMSA,N,"PIP2(18:0/16:2(9Z,12Z))",PCESNWIGHXQWMD-YZPKZDMMSA-N
HMDB10062,1024.505440138,C45H87O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h14,16,37,40-45,48-50H,3-13,15,17-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b16-14-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",NBTDBUYRTSYHOD,PEEBUYFBSA,N,PIP2(18:0/18:1(11Z)),NBTDBUYRTSYHOD-PEEBUYFBSA-N
HMDB10063,1024.505440138,C45H87O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h18,20,37,40-45,48-50H,3-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",BWAQTKMFCCUVOJ,LEYQXDPQSA,N,PIP2(18:0/18:1(9Z)),BWAQTKMFCCUVOJ-LEYQXDPQSA-N
HMDB10064,1022.489790074,C45H85O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12,14,18,20,37,40-45,48-50H,3-11,13,15-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",VSNVINGTNHGFPO,WAYLKQQQSA,N,"PIP2(18:0/18:2(9Z,12Z))",VSNVINGTNHGFPO-WAYLKQQQSA-N
HMDB10065,1020.47414001,C45H83O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12,14,18,20,24,26,37,40-45,48-50H,3-11,13,15-17,19,21-23,25,27-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,20-18-,26-24-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",PMLOEGYIUKYXPU,LSDZAJHJSA,N,"PIP2(18:0/18:3(6Z,9Z,12Z))",PMLOEGYIUKYXPU-LSDZAJHJSA-N
HMDB10066,1020.47414001,C45H83O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h6,8,12,14,18,20,37,40-45,48-50H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b8-6-,14-12-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",SDMHAHJCABSXSO,ATTUFIGXSA,N,"PIP2(18:0/18:3(9Z,12Z,15Z))",SDMHAHJCABSXSO-ATTUFIGXSA-N
HMDB10067,1050.521090202,C47H89O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,39,42-47,50-52H,3-10,12,14-16,18,20-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",CBYRDWIQJYOYKI,ZMVGLOEQSA,N,"PIP2(18:0/20:2(11Z,14Z))",CBYRDWIQJYOYKI-ZMVGLOEQSA-N
HMDB10068,1048.505440138,C47H87O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17,19,22,24,28,30,39,42-47,50-52H,3-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",UXFCBHSEOKZZGA,TWAONSNRSA,N,"PIP2(18:0/20:3(5Z,8Z,11Z))",UXFCBHSEOKZZGA-TWAONSNRSA-N
HMDB10069,1048.505440138,C47H87O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",KSKFVKFMWDWOAM,QXKUXGACSA,N,"PIP2(18:0/20:3(8Z,11Z,14Z))",KSKFVKFMWDWOAM-QXKUXGACSA-N
HMDB10070,1046.489790074,C47H85O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",CNWINRVXAYPOMW,CEQXGSERSA,N,"PIP2(18:0/20:4(5Z,8Z,11Z,14Z))",CNWINRVXAYPOMW-CEQXGSERSA-N
HMDB10071,1046.489790074,C47H85O19P3,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17,19,22,24,39,42-47,50-52H,3-4,6,8-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,19-17-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",GGKMTFFJRKCASD,OTGSWMOSSA,N,"PIP2(18:0/20:4(8Z,11Z,14Z,17Z))",GGKMTFFJRKCASD-OTGSWMOSSA-N
HMDB10072,996.47414001,C43H83O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h13,15,35,38-43,46-48H,3-12,14,16-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b15-13-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",PSTVYZHTTXVNLO,OLRVBNOISA,N,PIP2(18:1(11Z)/16:0),PSTVYZHTTXVNLO-OLRVBNOISA-N
HMDB10073,994.458489946,C43H81O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h13-16,35,38-43,46-48H,3-12,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b15-13-,16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",JVIMBLCFNATFHG,OGWGAMPSSA,N,PIP2(18:1(11Z)/16:1(9Z)),JVIMBLCFNATFHG-OGWGAMPSSA-N
HMDB10074,1024.505440138,C45H87O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h13,15,37,40-45,48-50H,3-12,14,16-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b15-13-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",XUFMOCMEMRVSRN,YVMBBJTMSA,N,PIP2(18:1(11Z)/18:0),XUFMOCMEMRVSRN-YVMBBJTMSA-N
HMDB10075,1022.489790074,C45H85O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h13-16,37,40-45,48-50H,3-12,17-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b15-13-,16-14-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",IXXGAWANYMYEGX,MAFBQSSISA,N,PIP2(18:1(11Z)/18:1(11Z)),IXXGAWANYMYEGX-MAFBQSSISA-N
HMDB10076,1022.489790074,C45H85O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h13,15,18,20,37,40-45,48-50H,3-12,14,16-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b15-13-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",FRDHRWROTAWRLM,ABLBSWQJSA,N,PIP2(18:1(11Z)/18:1(9Z)),FRDHRWROTAWRLM-ABLBSWQJSA-N
HMDB10077,1020.47414001,C45H83O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12-15,18,20,37,40-45,48-50H,3-11,16-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,15-13-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",MZIJYANWALWTKI,ZHMCGVHBSA,N,"PIP2(18:1(11Z)/18:2(9Z,12Z))",MZIJYANWALWTKI-ZHMCGVHBSA-N
HMDB10078,1018.458489946,C45H81O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12-15,18,20,24,26,37,40-45,48-50H,3-11,16-17,19,21-23,25,27-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,15-13-,20-18-,26-24-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",PQMAXMUERDBESE,YFYIYPDRSA,N,"PIP2(18:1(11Z)/18:3(6Z,9Z,12Z))",PQMAXMUERDBESE-YFYIYPDRSA-N
HMDB10079,1018.458489946,C45H81O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h6,8,12-15,18,20,37,40-45,48-50H,3-5,7,9-11,16-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b8-6-,14-12-,15-13-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",PIHIKLUSFHLVID,BAXWWUBFSA,N,"PIP2(18:1(11Z)/18:3(9Z,12Z,15Z))",PIHIKLUSFHLVID-BAXWWUBFSA-N
HMDB10080,1050.521090202,C47H89O19P3,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h14,16-17,19,39,42-47,50-52H,3-13,15,18,20-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b16-14-,19-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",CQXXCKGFDYPCTH,GSFBIHRTSA,N,PIP2(18:1(11Z)/20:1(11Z)),CQXXCKGFDYPCTH-GSFBIHRTSA-N
HMDB10081,1046.489790074,C47H85O19P3,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h14,16-17,19,22,24,28,30,39,42-47,50-52H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",GAJSSHGZYRSVNS,ONLUARRQSA,N,"PIP2(18:1(11Z)/20:3(5Z,8Z,11Z))",GAJSSHGZYRSVNS-ONLUARRQSA-N
HMDB10082,1046.489790074,C47H85O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13-14,16-17,19,22,24,39,42-47,50-52H,3-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,16-14-,19-17-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",QMRUSFNQFVPOME,RZEZUQAISA,N,"PIP2(18:1(11Z)/20:3(8Z,11Z,14Z))",QMRUSFNQFVPOME-RZEZUQAISA-N
HMDB10083,1044.47414001,C47H83O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13-14,16-17,19,22,24,28,30,39,42-47,50-52H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",DWLDRCADKHQACU,ZPYJMVATSA,N,"PIP2(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",DWLDRCADKHQACU-ZPYJMVATSA-N
HMDB10084,1044.47414001,C47H83O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13-14,16-17,19,22,24,39,42-47,50-52H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,16-14-,19-17-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",SSCRTWFGIHJXEM,LUNLEEEASA,N,"PIP2(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",SSCRTWFGIHJXEM-LUNLEEEASA-N
HMDB10085,996.47414001,C43H83O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h17-18,35,38-43,46-48H,3-16,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",BNNROWKZFPFCIC,YXSWCGMVSA,N,PIP2(18:1(9Z)/16:0),BNNROWKZFPFCIC-YXSWCGMVSA-N
HMDB10086,994.458489946,C43H81O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h14,16-18,35,38-43,46-48H,3-13,15,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b16-14-,18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",QILILGSXVOJGGA,VZUXUPECSA,N,PIP2(18:1(9Z)/16:1(9Z)),QILILGSXVOJGGA-VZUXUPECSA-N
HMDB10087,1024.505440138,C45H87O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17,19,37,40-45,48-50H,3-16,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",DCACUPDEXDAKPU,RXTFBTCISA,N,PIP2(18:1(9Z)/18:0),DCACUPDEXDAKPU-RXTFBTCISA-N
HMDB10088,1022.489790074,C45H85O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h14,16-17,19,37,40-45,48-50H,3-13,15,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b16-14-,19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",FTGIODLRWIZESB,FHYSITRGSA,N,PIP2(18:1(9Z)/18:1(11Z)),FTGIODLRWIZESB-FHYSITRGSA-N
HMDB10089,1022.489790074,C45H85O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-20,37,40-45,48-50H,3-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",IGQSAMXNWMLOOS,KLWHTIISSA,N,PIP2(18:1(9Z)/18:1(9Z)),IGQSAMXNWMLOOS-KLWHTIISSA-N
HMDB10090,1020.47414001,C45H83O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12,14,17-20,37,40-45,48-50H,3-11,13,15-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",JQAYSACISBUAMX,AGSFKLPHSA,N,"PIP2(18:1(9Z)/18:2(9Z,12Z))",JQAYSACISBUAMX-AGSFKLPHSA-N
HMDB10091,1018.458489946,C45H81O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12,14,17-20,24,26,37,40-45,48-50H,3-11,13,15-16,21-23,25,27-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,19-17-,20-18-,26-24-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",QKGZKRNDZVPBPQ,GVJNNYNHSA,N,"PIP2(18:1(9Z)/18:3(6Z,9Z,12Z))",QKGZKRNDZVPBPQ-GVJNNYNHSA-N
HMDB10092,1018.458489946,C45H81O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h6,8,12,14,17-20,37,40-45,48-50H,3-5,7,9-11,13,15-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b8-6-,14-12-,19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",DZBDBZXDDMVSKS,KALKXSCQSA,N,"PIP2(18:1(9Z)/18:3(9Z,12Z,15Z))",DZBDBZXDDMVSKS-KALKXSCQSA-N
HMDB10093,1050.521090202,C47H89O19P3,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17-19,21,39,42-47,50-52H,3-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",NHWBDGSSEOCDER,VJAORLIZSA,N,PIP2(18:1(9Z)/20:1(11Z)),NHWBDGSSEOCDER-VJAORLIZSA-N
HMDB10094,1046.489790074,C47H85O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17-19,21-22,24,28,30,39,42-47,50-52H,3-16,20,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",BWDYWWWDZVGVME,UFLJRIKTSA,N,"PIP2(18:1(9Z)/20:3(5Z,8Z,11Z))",BWDYWWWDZVGVME-UFLJRIKTSA-N
HMDB10095,1046.489790074,C47H85O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-19,21-22,24,39,42-47,50-52H,3-10,12,14-16,20,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,21-18-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",FAOGFDQDHJJZBZ,ALXUALIDSA,N,"PIP2(18:1(9Z)/20:3(8Z,11Z,14Z))",FAOGFDQDHJJZBZ-ALXUALIDSA-N
HMDB10096,1044.47414001,C47H83O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-19,21-22,24,28,30,39,42-47,50-52H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",SMKWSBWMFDZPCS,MNYSYBQNSA,N,"PIP2(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",SMKWSBWMFDZPCS-MNYSYBQNSA-N
HMDB10097,1044.47414001,C47H83O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-19,21-22,24,39,42-47,50-52H,3-4,6,8-10,12,14-16,20,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,19-17-,21-18-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",LZQDOYDUCQRIAT,FUUJIDRSSA,N,"PIP2(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",LZQDOYDUCQRIAT-FUUJIDRSSA-N
HMDB10098,994.458489946,C43H81O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h11,13,17-18,35,38-43,46-48H,3-10,12,14-16,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b13-11-,18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1",XWBWCUSHUUHABV,UHPFVWAWSA,N,"PIP2(18:2(9Z,12Z)/16:0)",XWBWCUSHUUHABV-UHPFVWAWSA-N
HMDB10099,1022.489790074,C45H85O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17,19,37,40-45,48-50H,3-10,12,14-16,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",RNUIMSOMWBNHAQ,KBXMJZNSSA,N,"PIP2(18:2(9Z,12Z)/18:0)",RNUIMSOMWBNHAQ-KBXMJZNSSA-N
HMDB10100,1020.47414001,C45H83O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13-14,16-17,19,37,40-45,48-50H,3-10,12,15,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,16-14-,19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",UMDWRSNCEPOPDI,XEYJMCHVSA,N,"PIP2(18:2(9Z,12Z)/18:1(11Z))",UMDWRSNCEPOPDI-XEYJMCHVSA-N
HMDB10101,1020.47414001,C45H83O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-20,37,40-45,48-50H,3-10,12,14-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",DNCLFFFEQLAQJT,QGNQOSIBSA,N,"PIP2(18:2(9Z,12Z)/18:1(9Z))",DNCLFFFEQLAQJT-QGNQOSIBSA-N
HMDB10102,1018.458489946,C45H81O19P3,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11-14,17-20,37,40-45,48-50H,3-10,15-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,14-12-,19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",ODXZZSHJUFXCGG,WPUDIAAVSA,N,"PIP2(18:2(9Z,12Z)/18:2(9Z,12Z))",ODXZZSHJUFXCGG-WPUDIAAVSA-N
HMDB10103,1050.521090202,C47H89O19P3,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,18,21,39,42-47,50-52H,3-11,13,15-17,19-20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",XPEDIPMFFYTKTO,SBJCCNSESA,N,"PIP2(18:2(9Z,12Z)/20:0)",XPEDIPMFFYTKTO-SBJCCNSESA-N
HMDB10104,1048.505440138,C47H87O19P3,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,17-19,21,39,42-47,50-52H,3-11,13,15-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",MFTQHYXXUMCICV,PUCHMEJFSA,N,"PIP2(18:2(9Z,12Z)/20:1(11Z))",MFTQHYXXUMCICV-PUCHMEJFSA-N
HMDB10105,1046.489790074,C47H85O19P3,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11-14,17-19,21,39,42-47,50-52H,3-10,15-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,14-12-,19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",FAHQSJXLNNVYOY,GNIBWKDASA,N,"PIP2(18:2(9Z,12Z)/20:2(11Z,14Z))",FAHQSJXLNNVYOY-GNIBWKDASA-N
HMDB10106,1044.47414001,C47H83O19P3,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,17-19,21-22,24,28,30,39,42-47,50-52H,3-11,13,15-16,20,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",BBEQWJYOIFCHNK,BYFIBGIASA,N,"PIP2(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",BBEQWJYOIFCHNK-BYFIBGIASA-N
HMDB10107,1044.47414001,C47H83O19P3,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11-14,17-19,21-22,24,39,42-47,50-52H,3-10,15-16,20,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,14-12-,19-17-,21-18-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",KJNITNACIIVMQN,VUYFXISTSA,N,"PIP2(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))",KJNITNACIIVMQN-VUYFXISTSA-N
HMDB10108,1020.47414001,C45H83O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17,19,23,25,37,40-45,48-50H,3-10,12,14-16,18,20-22,24,26-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,19-17-,25-23-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",FFXAMSZBUAXMAE,QQIJUEFOSA,N,"PIP2(18:3(6Z,9Z,12Z)/18:0)",FFXAMSZBUAXMAE-QQIJUEFOSA-N
HMDB10109,1018.458489946,C45H81O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13-14,16-17,19,23,25,37,40-45,48-50H,3-10,12,15,18,20-22,24,26-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,16-14-,19-17-,25-23-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",LWJUMRDFYPAWFZ,ZCHMYVRDSA,N,"PIP2(18:3(6Z,9Z,12Z)/18:1(11Z))",LWJUMRDFYPAWFZ-ZCHMYVRDSA-N
HMDB10110,1018.458489946,C45H81O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-20,23,25,37,40-45,48-50H,3-10,12,14-16,21-22,24,26-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,19-17-,20-18-,25-23-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",KIYZWCMOZNYLBL,MIXDSYHESA,N,"PIP2(18:3(6Z,9Z,12Z)/18:1(9Z))",KIYZWCMOZNYLBL-MIXDSYHESA-N
HMDB10111,1020.47414001,C45H83O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h5,7,11,13,17,19,37,40-45,48-50H,3-4,6,8-10,12,14-16,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",HXEVOYTZPQUZIB,WHMLOZAASA,N,"PIP2(18:3(9Z,12Z,15Z)/18:0)",HXEVOYTZPQUZIB-WHMLOZAASA-N
HMDB10112,1018.458489946,C45H81O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h5,7,11,13-14,16-17,19,37,40-45,48-50H,3-4,6,8-10,12,15,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,16-14-,19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",UHQGLFBABBFKLZ,LUVBWCENSA,N,"PIP2(18:3(9Z,12Z,15Z)/18:1(11Z))",UHQGLFBABBFKLZ-LUVBWCENSA-N
HMDB10113,1018.458489946,C45H81O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h5,7,11,13,17-20,37,40-45,48-50H,3-4,6,8-10,12,14-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",KWAKIBYJSURJOV,XCYCSZPESA,N,"PIP2(18:3(9Z,12Z,15Z)/18:1(9Z))",KWAKIBYJSURJOV-XCYCSZPESA-N
HMDB10114,1050.521090202,C47H89O19P3,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,18,21,39,42-47,50-52H,3-11,13,15-17,19-20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",JQBJOUCAPXXDIQ,SBJCCNSESA,N,"PIP2(20:0/18:2(9Z,12Z))",JQBJOUCAPXXDIQ-SBJCCNSESA-N
HMDB10115,1024.505440138,C45H87O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-18,37,40-45,48-50H,3-16,19-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b18-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",FQCMYHRUTFOZPD,NXYSBMGMSA,N,PIP2(20:1(11Z)/16:0),FQCMYHRUTFOZPD-NXYSBMGMSA-N
HMDB10116,1050.521090202,C47H89O19P3,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h14,16-17,19,39,42-47,50-52H,3-13,15,18,20-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b16-14-,19-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",XNRADWJBCQHLCV,GSFBIHRTSA,N,PIP2(20:1(11Z)/18:1(11Z)),XNRADWJBCQHLCV-GSFBIHRTSA-N
HMDB10117,1050.521090202,C47H89O19P3,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17-19,21,39,42-47,50-52H,3-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",XBCSMYYVJNUPJX,VJAORLIZSA,N,PIP2(20:1(11Z)/18:1(9Z)),XBCSMYYVJNUPJX-VJAORLIZSA-N
HMDB10118,1048.505440138,C47H87O19P3,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,17-19,21,39,42-47,50-52H,3-11,13,15-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",YRRDPCZVOYKJMF,PUCHMEJFSA,N,"PIP2(20:1(11Z)/18:2(9Z,12Z))",YRRDPCZVOYKJMF-PUCHMEJFSA-N
HMDB10119,1022.489790074,C45H85O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,37,40-45,48-50H,3-10,12,14-16,19-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",ZWNQCCLDCGTEIY,LPIGCCKESA,N,"PIP2(20:2(11Z,14Z)/16:0)",ZWNQCCLDCGTEIY-LPIGCCKESA-N
HMDB10120,1050.521090202,C47H89O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,39,42-47,50-52H,3-10,12,14-16,18,20-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",VMRXTSRXQYXGLL,ZMVGLOEQSA,N,"PIP2(20:2(11Z,14Z)/18:0)",VMRXTSRXQYXGLL-ZMVGLOEQSA-N
HMDB10121,1046.489790074,C47H85O19P3,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11-14,17-19,21,39,42-47,50-52H,3-10,15-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,14-12-,19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",SBICMXQNTXERPU,GNIBWKDASA,N,"PIP2(20:2(11Z,14Z)/18:2(9Z,12Z))",SBICMXQNTXERPU-GNIBWKDASA-N
HMDB10122,1020.47414001,C45H83O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-18,20,22,25,27,37,40-45,48-50H,3-16,19,21,23-24,26,28-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b18-17-,22-20-,27-25-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",JDHOYJYCQFHESA,CUDKYCESSA,N,"PIP2(20:3(5Z,8Z,11Z)/16:0)",JDHOYJYCQFHESA-CUDKYCESSA-N
HMDB10123,1048.505440138,C47H87O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17,19,22-23,27,29,39,42-47,50-52H,3-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",CDOVZHPHJIONRQ,YPDUCUIUSA,N,"PIP2(20:3(5Z,8Z,11Z)/18:0)",CDOVZHPHJIONRQ-YPDUCUIUSA-N
HMDB10124,1046.489790074,C47H85O19P3,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h14,16-17,19,22-23,27,29,39,42-47,50-52H,3-13,15,18,20-21,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b16-14-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",BFYZBCPAKAQNPX,UWVLJZJMSA,N,"PIP2(20:3(5Z,8Z,11Z)/18:1(11Z))",BFYZBCPAKAQNPX-UWVLJZJMSA-N
HMDB10125,1046.489790074,C47H85O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17-19,21-23,27,29,39,42-47,50-52H,3-16,20,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",ZUTBRVYNMSEYOI,CWNADOFLSA,N,"PIP2(20:3(5Z,8Z,11Z)/18:1(9Z))",ZUTBRVYNMSEYOI-CWNADOFLSA-N
HMDB10126,1044.47414001,C47H83O19P3,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,17-19,21-23,27,29,39,42-47,50-52H,3-11,13,15-16,20,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",WCWPFDBBZUOSBD,SGKZBDFRSA,N,"PIP2(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",WCWPFDBBZUOSBD-SGKZBDFRSA-N
HMDB10127,1020.47414001,C45H83O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,20,22,37,40-45,48-50H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-,22-20-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",KADWVSIKLGEVBC,LBJPALPMSA,N,"PIP2(20:3(8Z,11Z,14Z)/16:0)",KADWVSIKLGEVBC-LBJPALPMSA-N
HMDB10128,1048.505440138,C47H87O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22-23,39,42-47,50-52H,3-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",JYEVSAWUKQBGJB,RWZNGCGSSA,N,"PIP2(20:3(8Z,11Z,14Z)/18:0)",JYEVSAWUKQBGJB-RWZNGCGSSA-N
HMDB10129,1046.489790074,C47H85O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13-14,16-17,19,22-23,39,42-47,50-52H,3-10,12,15,18,20-21,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,16-14-,19-17-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",ZBVCRHNRBPMRKT,BORGTSRDSA,N,"PIP2(20:3(8Z,11Z,14Z)/18:1(11Z))",ZBVCRHNRBPMRKT-BORGTSRDSA-N
HMDB10130,1046.489790074,C47H85O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-19,21-23,39,42-47,50-52H,3-10,12,14-16,20,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",PCUZKBYIFVEKFV,RKAREGLRSA,N,"PIP2(20:3(8Z,11Z,14Z)/18:1(9Z))",PCUZKBYIFVEKFV-RKAREGLRSA-N
HMDB10131,1044.47414001,C47H83O19P3,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11-14,17-19,21-23,39,42-47,50-52H,3-10,15-16,20,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,14-12-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",MJOFGZUEKAZNQV,KZONYETESA,N,"PIP2(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))",MJOFGZUEKAZNQV-KZONYETESA-N
HMDB10132,1018.458489946,C45H81O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,20,22,25,27,37,40-45,48-50H,3-10,12,14-16,19,21,23-24,26,28-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-,22-20-,27-25-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",KWZURDRDZXAUBA,XRKRXWOFSA,N,"PIP2(20:4(5Z,8Z,11Z,14Z)/16:0)",KWZURDRDZXAUBA-XRKRXWOFSA-N
HMDB10133,1046.489790074,C47H85O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22-23,27,29,39,42-47,50-52H,3-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",WSOUXFSBLZNSFX,POGCKTLGSA,N,"PIP2(20:4(5Z,8Z,11Z,14Z)/18:0)",WSOUXFSBLZNSFX-POGCKTLGSA-N
HMDB10134,1044.47414001,C47H83O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13-14,16-17,19,22-23,27,29,39,42-47,50-52H,3-10,12,15,18,20-21,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,16-14-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",XPMKHMDELDTARN,HUKDTCASSA,N,"PIP2(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",XPMKHMDELDTARN-HUKDTCASSA-N
HMDB10135,1044.47414001,C47H83O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-19,21-23,27,29,39,42-47,50-52H,3-10,12,14-16,20,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",OYOHUHTZZDHFAS,JXNFWLHNSA,N,"PIP2(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",OYOHUHTZZDHFAS-JXNFWLHNSA-N
HMDB10136,1018.458489946,C45H81O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h5,7,11,13,17-18,20,22,37,40-45,48-50H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,18-17-,22-20-/t37-,40?,41?,42?,43+,44?,45+/m1/s1",MSXOYZHHAHMCNE,ZEMARTOLSA,N,"PIP2(20:4(8Z,11Z,14Z,17Z)/16:0)",MSXOYZHHAHMCNE-ZEMARTOLSA-N
HMDB10137,1046.489790074,C47H85O19P3,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17,19,22-23,39,42-47,50-52H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,19-17-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",JRGVXKMOMYDWIE,IZZOATPASA,N,"PIP2(20:4(8Z,11Z,14Z,17Z)/18:0)",JRGVXKMOMYDWIE-IZZOATPASA-N
HMDB10138,1044.47414001,C47H83O19P3,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13-14,16-17,19,22-23,39,42-47,50-52H,3-4,6,8-10,12,15,18,20-21,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,16-14-,19-17-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",ITRIIJLIQMKNIJ,LGYYSEMHSA,N,"PIP2(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",ITRIIJLIQMKNIJ-LGYYSEMHSA-N
HMDB10139,1044.47414001,C47H83O19P3,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-19,21-23,39,42-47,50-52H,3-4,6,8-10,12,14-16,20,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",KCVODVLHOOAWOQ,BNAKQBAWSA,N,"PIP2(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",KCVODVLHOOAWOQ-BNAKQBAWSA-N
HMDB10140,1050.521090202,C47H89O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,39,42-47,50-52H,3-10,12,14-16,19-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",JKYGRLXBPMBDJP,GBBOEYBKSA,N,"PIP2(22:2(13Z,16Z)/16:0)",JKYGRLXBPMBDJP-GBBOEYBKSA-N
HMDB10141,1048.505440138,C47H87O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,39,42-47,50-52H,3-10,12,14-16,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",SNNIYHDWEDPYBR,FFDUEBCISA,N,"PIP2(22:3(10Z,13Z,16Z)/16:0)",SNNIYHDWEDPYBR-FFDUEBCISA-N
HMDB10142,1044.47414001,C47H83O19P3,CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h8,10-11,13-14,16-18,20-21,39,42-47,50-52H,3-7,9,12,15,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",MNDIHVSZIAXWNG,OWFBGLHDSA,N,"PIP2(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))",MNDIHVSZIAXWNG-OWFBGLHDSA-N
HMDB10143,1046.489790074,C47H85O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-18,20-21,39,42-47,50-52H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",KFFAKFFNUXICKJ,KPBDWNDJSA,N,"PIP2(22:4(10Z,13Z,16Z,19Z)/16:0)",KFFAKFFNUXICKJ-KPBDWNDJSA-N
HMDB10144,1046.489790074,C47H85O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,24-25,39,42-47,50-52H,3-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-,25-24-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",GHYCRALJEHNAAM,IWEYATQISA,N,"PIP2(22:4(7Z,10Z,13Z,16Z)/16:0)",GHYCRALJEHNAAM-IWEYATQISA-N
HMDB10145,1044.47414001,C47H83O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,24-25,29,31,39,42-47,50-52H,3-10,12,14-16,19,22-23,26-28,30,32-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-,25-24-,31-29-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",LFVYCMOQUUAYLX,VTSPLDJPSA,N,"PIP2(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",LFVYCMOQUUAYLX-VTSPLDJPSA-N
HMDB10146,1044.47414001,C47H83O19P3,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-18,20-21,24-25,39,42-47,50-52H,3-4,6,8-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,18-17-,21-20-,25-24-/t39-,42?,43?,44?,45+,46?,47+/m1/s1",VRWOUYFWRZJTCC,GPRCWQOKSA,N,"PIP2(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",VRWOUYFWRZJTCC-GPRCWQOKSA-N
HMDB10147,1050.424820356,C41H82O22P4,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(OP(O)(O)=O)C(OP(O)(O)=O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/t33-,36?,37?,38-,39+,40?,41?/m1/s1",ZSZXYWFCIKKZBT,LBWXJXETSA,N,PIP3(16:0/16:0),ZSZXYWFCIKKZBT-LBWXJXETSA-N
HMDB10148,1048.409170292,C41H80O22P4,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C41H80O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h14,16,33,36-41,44-45H,3-13,15,17-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/b16-14-/t33-,36?,37?,38-,39+,40?,41?/m1/s1",FLQSJIBLYKXZJZ,BOBQXRQZSA,N,PIP3(16:0/16:1(9Z)),FLQSJIBLYKXZJZ-BOBQXRQZSA-N
HMDB10149,1076.44047042,C43H84O22P4,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H84O22P4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)61-35(33-59-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-60-69(57,58)65-40-38(46)41(62-66(48,49)50)43(64-68(54,55)56)42(39(40)47)63-67(51,52)53/h13,15,35,38-43,46-47H,3-12,14,16-34H2,1-2H3,(H,57,58)(H2,48,49,50)(H2,51,52,53)(H2,54,55,56)/b15-13-/t35-,38?,39?,40-,41+,42?,43?/m1/s1",HVCWYAAWJWOODE,CHASBKSXSA,N,PIP3(16:0/18:1(11Z)),HVCWYAAWJWOODE-CHASBKSXSA-N
HMDB10150,1076.44047042,C43H84O22P4,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H84O22P4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)61-35(33-59-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-60-69(57,58)65-40-38(46)41(62-66(48,49)50)43(64-68(54,55)56)42(39(40)47)63-67(51,52)53/h17-18,35,38-43,46-47H,3-16,19-34H2,1-2H3,(H,57,58)(H2,48,49,50)(H2,51,52,53)(H2,54,55,56)/b18-17-/t35-,38?,39?,40-,41+,42?,43?/m1/s1",DJAHJSLZGQTVQW,MISQBZJTSA,N,PIP3(16:0/18:1(9Z)),DJAHJSLZGQTVQW-MISQBZJTSA-N
HMDB10151,1076.44047042,C43H84O22P4,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C43H84O22P4/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)59-33-35(61-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-60-69(57,58)65-40-38(46)41(62-66(48,49)50)43(64-68(54,55)56)42(39(40)47)63-67(51,52)53/h14,16,35,38-43,46-47H,3-13,15,17-34H2,1-2H3,(H,57,58)(H2,48,49,50)(H2,51,52,53)(H2,54,55,56)/b16-14-/t35-,38?,39?,40-,41+,42?,43?/m1/s1",LNEUQXPUYSJZFM,XNAFLRJISA,N,PIP3(18:0/16:1(9Z)),LNEUQXPUYSJZFM-XNAFLRJISA-N
HMDB10152,1104.471770548,C45H88O22P4,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H88O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h14,16,37,40-45,48-49H,3-13,15,17-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b16-14-/t37-,40?,41?,42-,43+,44?,45?/m1/s1",HWWWNKQSEYZFCK,DVUTVWOTSA,N,PIP3(18:0/18:1(11Z)),HWWWNKQSEYZFCK-DVUTVWOTSA-N
HMDB10153,1104.471770548,C45H88O22P4,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H88O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h18,20,37,40-45,48-49H,3-17,19,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b20-18-/t37-,40?,41?,42-,43+,44?,45?/m1/s1",SGNSEVVFGCQOEF,CUAGIMMSSA,N,PIP3(18:0/18:1(9Z)),SGNSEVVFGCQOEF-CUAGIMMSSA-N
HMDB10154,1102.456120484,C45H86O22P4,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h13-16,37,40-45,48-49H,3-12,17-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b15-13-,16-14-/t37-,40?,41?,42-,43+,44?,45?/m1/s1",BWIZUOVVSBYNSM,WTRWIPAJSA,N,PIP3(18:1(11Z)/18:1(11Z)),BWIZUOVVSBYNSM-WTRWIPAJSA-N
HMDB10155,1102.456120484,C45H86O22P4,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h13,15,18,20,37,40-45,48-49H,3-12,14,16-17,19,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b15-13-,20-18-/t37-,40?,41?,42-,43+,44?,45?/m1/s1",AIVBDSBJKGGXCX,ALGGFATGSA,N,PIP3(18:1(11Z)/18:1(9Z)),AIVBDSBJKGGXCX-ALGGFATGSA-N
HMDB10156,1126.456120484,C47H86O22P4,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h14,16-17,19,22,24,28,30,39,42-47,50-51H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44-,45+,46?,47?/m1/s1",LGYIFTIGCJHTLJ,BEZYRZSPSA,N,"PIP3(18:1(11Z)/20:3(5Z,8Z,11Z))",LGYIFTIGCJHTLJ-BEZYRZSPSA-N
HMDB10157,1126.456120484,C47H86O22P4,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h11,13-14,16-17,19,22,24,39,42-47,50-51H,3-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b13-11-,16-14-,19-17-,24-22-/t39-,42?,43?,44-,45+,46?,47?/m1/s1",BECIVKAHRHVYFO,FSGBQTISSA,N,"PIP3(18:1(11Z)/20:3(8Z,11Z,14Z))",BECIVKAHRHVYFO-FSGBQTISSA-N
HMDB10158,1102.456120484,C45H86O22P4,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h14,16-17,19,37,40-45,48-49H,3-13,15,18,20-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b16-14-,19-17-/t37-,40?,41?,42-,43+,44?,45?/m1/s1",QKRMRYDSXLRLAU,XFOWSEAZSA,N,PIP3(18:1(9Z)/18:1(11Z)),QKRMRYDSXLRLAU-XFOWSEAZSA-N
HMDB10159,1102.456120484,C45H86O22P4,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h17-20,37,40-45,48-49H,3-16,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b19-17-,20-18-/t37-,40?,41?,42-,43+,44?,45?/m1/s1",BKZGAUKGSXXGQM,NBMDUWGWSA,N,PIP3(18:1(9Z)/18:1(9Z)),BKZGAUKGSXXGQM-NBMDUWGWSA-N
HMDB10160,1126.456120484,C47H86O22P4,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h17-19,21-22,24,28,30,39,42-47,50-51H,3-16,20,23,25-27,29,31-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44-,45+,46?,47?/m1/s1",CDCLNMFWWPRCAZ,YRJDKODHSA,N,"PIP3(18:1(9Z)/20:3(5Z,8Z,11Z))",CDCLNMFWWPRCAZ-YRJDKODHSA-N
HMDB10161,1126.456120484,C47H86O22P4,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h11,13,17-19,21-22,24,39,42-47,50-51H,3-10,12,14-16,20,23,25-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b13-11-,19-17-,21-18-,24-22-/t39-,42?,43?,44-,45+,46?,47?/m1/s1",VXGXLQUTWAMJPI,SYWRBOBCSA,N,"PIP3(18:1(9Z)/20:3(8Z,11Z,14Z))",VXGXLQUTWAMJPI-SYWRBOBCSA-N
HMDB10162,1128.471770548,C47H88O22P4,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O,"InChI=1S/C47H88O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h12,14,17-19,21,39,42-47,50-51H,3-11,13,15-16,20,22-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b14-12-,19-17-,21-18-/t39-,42?,43?,44-,45+,46?,47?/m1/s1",QEEUXPHLRVCBQV,IVRQCHDLSA,N,"PIP3(18:2(9Z,12Z)/20:1(11Z))",QEEUXPHLRVCBQV-IVRQCHDLSA-N
HMDB10163,789.551984778,C42H80NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,"InChI=1S/C42H80NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,38-39H,3-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b20-18-/t38-,39+/m1/s1",AJFWREUFUPEYII,PAHWMLEVSA,N,PS(18:0/18:1(9Z)),AJFWREUFUPEYII-PAHWMLEVSA-N
HMDB10164,819.598934971,C44H86NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C44H86NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h40-41H,3-39,45H2,1-2H3,(H,48,49)(H,50,51)/t40-,41+/m1/s1",NTHGOQRMMGSVMQ,ZFESHMOZSA,N,PS(18:0/20:0),NTHGOQRMMGSVMQ-ZFESHMOZSA-N
HMDB10165,811.536334233,C44H78NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,40-41H,3-4,6,8-10,12,14-16,18,20-21,23,25-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,13-11-,19-17-,24-22-/t40-,41+/m1/s1",IULWELDCBXQXED,DWOSIAKHSA,N,"PS(18:0/20:4(8Z,11Z,14Z,17Z))",IULWELDCBXQXED-DWOSIAKHSA-N
HMDB10166,837.551984297,C46H80NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C46H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,42-43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,28-26-/t42-,43+/m1/s1",PZEFRSYCROBXSJ,AOWFZNJASA,N,"PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))",PZEFRSYCROBXSJ-AOWFZNJASA-N
HMDB10167,835.536334233,C46H78NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C46H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,42-43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t42-,43+/m1/s1",LYYHRRPTEXPVOR,SYEOQEKUSA,N,"PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LYYHRRPTEXPVOR-SYEOQEKUSA-N
HMDB10168,705.591049878,C39H82N2O6P,[H][C@@](O)(CCCCCCCCCCCCCCC)[C@]([H])(COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37-38,42H,6-36H2,1-5H3,(H-,40,43,44,45)/p+1/t37-,38+/m0/s1",QHZIGNLCLJPLCU,QPPIDDCLSA,O,SM(d18:0/16:0),QHZIGNLCLJPLCU-QPPIDDCLSA-O
HMDB10169,703.575399814,C39H80N2O6P,CCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(O)(=O)OCC[N+](C)(C)C)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/p+1/b32-30+/t37-,38+/m0/s1",RWKUXQNLWDTSLO,GWQJGLRPSA,O,SM(d18:1/16:0),RWKUXQNLWDTSLO-GWQJGLRPSA-O
HMDB10170,354.240624198,C20H34O5,CCCCCC(O)\C=C\C(\O)=C(\O)C\C=C\CCCCCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h7,10,15-17,21-23H,2-6,8-9,11-14H2,1H3,(H,24,25)/b10-7+,16-15+,19-18-",PBCZCSXKHMNACJ,RWEAINGASA,N,"11,12,15-TriHETRE",PBCZCSXKHMNACJ-RWEAINGASA-N
HMDB10199,354.240624198,C20H34O5,CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19-/m0/s1",PXGPLTODNUVGFL,ZWAKLXPCSA,N,11b-PGF2a,PXGPLTODNUVGFL-ZWAKLXPCSA-N
HMDB10200,294.219494826,C18H30O3,CC\C=C/CC1OC1C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8-",BKKGUKSHPCTUGE,OOHFSOINSA,N,A-12(13)-EpODE,BKKGUKSHPCTUGE-OOHFSOINSA-N
HMDB10201,312.230059512,C18H32O4,CC\C=C/CC(O)C(O)C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h3,8,10-11,16-17,19-20H,2,4-7,9,12-15H2,1H3,(H,21,22)/b10-3-,11-8-",RGRKFKRAFZJQMS,OOHFSOINSA,N,"12,13-DiHODE",RGRKFKRAFZJQMS-OOHFSOINSA-N
HMDB10202,318.219494826,C20H30O3,CC\C=C/C\C=C/CC(O)\C=C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+",MCRJLMXYVFDXLS,QGQBRVLBSA,N,12-HEPE,MCRJLMXYVFDXLS-QGQBRVLBSA-N
HMDB10203,294.219494826,C18H30O3,CC\C=C/CC(O)\C=C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+",KLLGGGQNRTVBSU,JDTPQGGVSA,N,13-HOTE,KLLGGGQNRTVBSU-JDTPQGGVSA-N
HMDB10204,336.230059512,C20H32O4,CC\C=C/CC(O)C(O)C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,12-3-,13-10-",BLWCDFIELVFRJY,QXBXTPPVSA,N,"14,15-DiHETE",BLWCDFIELVFRJY-QXBXTPPVSA-N
HMDB10205,318.219494826,C20H30O3,CC\C=C/CC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,12-3-,13-10-",RGZIXZYRGZWDMI,QXBXTPPVSA,N,"14,15-EpETE",RGZIXZYRGZWDMI-QXBXTPPVSA-N
HMDB10206,294.219494826,C18H30O3,CCC1OC1C\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-16-17(21-16)14-12-10-8-6-4-3-5-7-9-11-13-15-18(19)20/h4,6,10,12,16-17H,2-3,5,7-9,11,13-15H2,1H3,(H,19,20)/b6-4-,12-10-",HKSDVVJONLXYKL,OHPMOLHNSA,N,15(16)-EpODE,HKSDVVJONLXYKL-OHPMOLHNSA-N
HMDB10207,164.068473494,C6H12O5,C[C@H](O)[C@@H](O)[C@H](O)C(=O)CO,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6+/m0/s1",QZNPNKJXABGCRC,OTWZMJIISA,N,L-Rhamnulose,QZNPNKJXABGCRC-OTWZMJIISA-N
HMDB10208,312.230059512,C18H32O4,CCC(O)C(O)C\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h4,6,10,12,16-17,19-20H,2-3,5,7-9,11,13-15H2,1H3,(H,21,22)/b6-4-,12-10-",LKLLJYJTYPVCID,OHPMOLHNSA,N,"15,16-DiHODE",LKLLJYJTYPVCID-OHPMOLHNSA-N
HMDB10209,318.219494826,C20H30O3,CC\C=C/C(O)C\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h3-5,8-12,14,16,19,21H,2,6-7,13,15,17-18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,14-12+,16-3-",UDXLGBLAJBYLSZ,XBCQTNLFSA,N,15-HEPE,UDXLGBLAJBYLSZ-XBCQTNLFSA-N
HMDB10210,318.219494826,C20H30O3,CCCCCC(=O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+",YGJTUEISKATQSM,USWFWKISSA,N,15-KETE,YGJTUEISKATQSM-USWFWKISSA-N
HMDB10211,336.230059512,C20H32O4,CCC(O)C(O)C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-",XYDVGNAQQFWZEF,JPURVOHMSA,N,"17,18-DiHETE",XYDVGNAQQFWZEF-JPURVOHMSA-N
HMDB10212,318.219494826,C20H30O3,CCC1OC1C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-",GPQVVJQEBXAKBJ,JPURVOHMSA,N,"17,18-EpETE",GPQVVJQEBXAKBJ-JPURVOHMSA-N
HMDB10213,344.23514489,C22H32O3,CC\C=C/CC(O)\C=C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+",SWTYBBUBEPPYCX,VIIQGJSXSA,N,17-HDoHE,SWTYBBUBEPPYCX-VIIQGJSXSA-N
HMDB10214,362.245709576,C22H34O4,CCC(O)C(O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H34O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(25)26/h3-4,7-10,13-16,20-21,23-24H,2,5-6,11-12,17-19H2,1H3,(H,25,26)/b4-3-,9-7-,10-8-,15-13-,16-14-",FFXKPSNQCPNORO,MBYQGORISA,N,"19,20-DiHDPA",FFXKPSNQCPNORO-MBYQGORISA-N
HMDB10216,336.230059512,C20H32O4,CCCCC[C@H](O)\C=C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1",UXGXCGPWGSUMNI,BVHTXILBSA,N,"5,15-DiHETE",UXGXCGPWGSUMNI-BVHTXILBSA-N
HMDB10217,318.219494826,C20H30O3,CCCCC\C=C/C\C=C/C\C=C/C=C/C(=O)CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+",MEASLHGILYBXFO,XTDASVJISA,N,5-KETE,MEASLHGILYBXFO-XTDASVJISA-N
HMDB10219,336.230059512,C20H32O4,CCCCCC(O)\C=C\C=C/C=C/C(O)C\C=C/CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+",NNPWRKSGORGTIM,RCDCWWQHSA,N,"8,15-DiHETE",NNPWRKSGORGTIM-RCDCWWQHSA-N
HMDB10220,294.219494826,C18H30O3,CC\C=C/C\C=C/CC1OC1CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h3-4,7,10,16-17H,2,5-6,8-9,11-15H2,1H3,(H,19,20)/b4-3-,10-7-",JTEGNNHWOIJBJZ,ZJSQCTGTSA,N,9(10)-EpODE,JTEGNNHWOIJBJZ-ZJSQCTGTSA-N
HMDB10221,312.230059512,C18H32O4,CC\C=C/C\C=C/CC(O)C(O)CCCCCCCC(O)=O,"InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7,10,16-17,19-20H,2,5-6,8-9,11-15H2,1H3,(H,21,22)/b4-3-,10-7-",QRHSEDZBZMZPOA,ZJSQCTGTSA,N,"9,10-DiHODE",QRHSEDZBZMZPOA-ZJSQCTGTSA-N
HMDB10222,320.23514489,C20H32O3,CCCCC\C=C/C\C=C/CC(O)\C=C/C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9+,13-10-,17-14-",KATOYYZUTNAWSA,DLJQHUEDSA,N,9-HETE,KATOYYZUTNAWSA-DLJQHUEDSA-N
HMDB10223,296.23514489,C18H32O3,CCCCC\C=C\C=C\C(O)CCCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+",NPDSHTNEKLQQIJ,SIGMCMEVSA,N,9-HODE,NPDSHTNEKLQQIJ-SIGMCMEVSA-N
HMDB10224,294.219494826,C18H30O3,CC\C=C/CC\C=C\C=C(\O)CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,8,11,14,19H,2,5-7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,11-8+,17-14+",YUPHIKSLGBATJK,OBKPXJAFSA,N,9-HOTE,YUPHIKSLGBATJK-OBKPXJAFSA-N
HMDB10226,1455.019176334,C81H148O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h23,25-30,32,35,39,75-77,82H,5-22,24,31,33-34,36-38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b27-23-,29-25-,30-26-,32-28-,39-35-/t75-,76-,77-/m1/s1",DVHFBMSATQSWMK,FGMTZBBSSA,N,"CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))",DVHFBMSATQSWMK-FGMTZBBSSA-N
HMDB10227,1455.019176334,C81H148O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h23,27,33-40,75-77,82H,5-22,24-26,28-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b27-23-,37-33-,38-34-,39-35-,40-36-/t75-,76-,77-/m1/s1",HGIKPGJCIWRORL,JYXOMHFHSA,N,"CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))",HGIKPGJCIWRORL-JYXOMHFHSA-N
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HMDB10307,1522.987876206,C87H144O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-38,40,42-44,46,48,50,52,60,64,81-83,88H,5-8,10-12,14-20,29-32,39,41,45,47,49,51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,64-60-/t81-,82-,83-/m1/s1",JCRFAIFJPYEADB,OFBRVRNLSA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",JCRFAIFJPYEADB-OFBRVRNLSA-N
HMDB10308,1518.956576078,C87H140O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-38,40,42-44,46,48,50-52,55,58,60,62,64,81-83,88H,5-8,10-12,14-20,29-32,39,41,45,47,49,53-54,56-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,55-51-,62-58-,64-60-/t81-,82-,83-/m1/s1",LBJIFSVWLHEOBJ,MLFYVBPFSA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",LBJIFSVWLHEOBJ-MLFYVBPFSA-N
HMDB10309,1518.956576078,C87H140O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,11,13,15,21-28,33-38,40,42-44,46,48,50,52,58,60,62,64,81-83,88H,5-8,10,12,14,16-20,29-32,39,41,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,62-58-,64-60-/t81-,82-,83-/m1/s1",NSNTZLQFLUAGLP,QPMDZTAWSA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",NSNTZLQFLUAGLP-QPMDZTAWSA-N
HMDB10310,1518.956576078,C87H140O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-38,40,42-44,46,48,50-52,55,60,64,81-83,88H,5-8,11-12,15-20,29-32,39,41,45,47,49,53-54,56-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,55-51-,64-60-/t81-,82-,83-/m1/s1",DCBMWSYEFDFYQK,RMTOSZLISA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",DCBMWSYEFDFYQK-RMTOSZLISA-N
HMDB10311,1518.956576078,C87H140O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9-11,13-15,21-28,33-38,40,42-44,46,48,50,52,60,64,81-83,88H,5-8,12,16-20,29-32,39,41,45,47,49,51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,64-60-/t81-,82-,83-/m1/s1",LOZMAZMZCODBRM,PUFACCRPSA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",LOZMAZMZCODBRM-PUFACCRPSA-N
HMDB10312,1544.972226142,C89H142O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,29-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83-,84-,85-/m1/s1",KRRKIACLRUPTQQ,LNQVJMAWSA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",KRRKIACLRUPTQQ-LNQVJMAWSA-N
HMDB10313,314.063782046,C13H14O9,O[C@@H]1[C@@H](O)[C@H](OC2=CC=CC=C2C(O)=O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1",JSCWDKKMLIQCMR,CDHFTJPESA,N,1-Salicylate glucuronide,JSCWDKKMLIQCMR-CDHFTJPESA-N
HMDB10314,314.063782046,C13H14O9,O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=CC=CC=C2O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C13H14O9/c14-6-4-2-1-3-5(6)12(20)22-13-9(17)7(15)8(16)10(21-13)11(18)19/h1-4,7-10,13-17H,(H,18,19)/t7-,8-,9+,10-,13-/m0/s1",IXVVXKRKCLJCKA,UNLLLRGISA,N,Beta-D-Glucopyranuronic acid,IXVVXKRKCLJCKA-UNLLLRGISA-N
HMDB10315,478.220282686,C25H34O9,C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(=O)CC[C@]34C)C1CCC2=O,"InChI=1S/C25H34O9/c1-24-10-8-15(26)20(33-23-19(30)17(28)18(29)21(34-23)22(31)32)14(24)4-3-11-12-5-6-16(27)25(12,2)9-7-13(11)24/h11-13,17-19,21,23,28-30H,3-10H2,1-2H3,(H,31,32)/t11?,12?,13?,17-,18-,19+,21-,23+,24+,25-/m0/s1",JIKFCHILHFFTSH,NRIFOQJISA,N,4-Hydroxyandrostenedione glucuronide,JIKFCHILHFFTSH-NRIFOQJISA-N
HMDB10316,327.095416525,C14H17NO8,CC(=O)NC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1,"InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1",IPROLSVTVHAQLE,BYNIDDHOSA,N,Acetaminophen glucuronide,IPROLSVTVHAQLE-BYNIDDHOSA-N
HMDB10317,448.209718,C24H32O8,C[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14?,15?,16?,17-,18-,19-,20+,21-,23+,24-/m0/s1",MTKNDAQYHASLID,RNFKDHMMSA,N,17-beta-Estradiol glucuronide,MTKNDAQYHASLID-RNFKDHMMSA-N
HMDB10318,496.303618384,C27H44O8,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)O,"InChI=1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)/t13-,14+,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1",ZFFFJLDTCLJDHL,JQYCEVDMSA,N,Pregnanediol-3-glucuronide,ZFFFJLDTCLJDHL-JQYCEVDMSA-N
HMDB10319,309.084851839,C14H15NO7,O[C@@H]1[C@@H](O)[C@H](OC2=CNC3=CC=CC=C23)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1",KUYNOZVWCFXSNE,BYNIDDHOSA,N,Inodxyl glucuronide,KUYNOZVWCFXSNE-BYNIDDHOSA-N
HMDB10320,542.272712186,C27H42O11,CC12CC(=O)C3C(CCC4CCC(CC34C)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1CCC2(O)C(O)CO,"InChI=1S/C27H42O11/c1-25-9-13(37-24-21(33)19(31)20(32)22(38-24)23(34)35)5-3-12(25)4-6-14-15-7-8-27(36,17(30)11-28)26(15,2)10-16(29)18(14)25/h12-15,17-22,24,28,30-33,36H,3-11H2,1-2H3,(H,34,35)/t12?,13?,14?,15?,17?,18?,19-,20-,21+,22-,24+,25?,26?,27?/m0/s1",OKNSFVSKHQJVRN,XAYCFROHSA,N,Cortolone-3-glucuronide,OKNSFVSKHQJVRN-XAYCFROHSA-N
HMDB10321,468.272318256,C25H40O8,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C25H40O8/c1-24-9-7-13(32-23(31)21-19(28)18(27)20(29)22(30)33-21)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-22,26-30H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,22+,24-,25-/m0/s1",TWDCYBTXSUNASK,WGGIPMEBSA,N,"3,17-Androstanediol glucuronide",TWDCYBTXSUNASK-WGGIPMEBSA-N
HMDB10322,448.209718,C24H32O8,C[C@]12CCC3C(CCC4=C3C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C4)C1CC[C@@H]2O,"InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14?,15?,16?,17-,18-,19-,20+,21-,23+,24-/m0/s1",MUOHJTRCBBDUOW,RNFKDHMMSA,N,17-alpha-Estradiol-3-glucuronide,MUOHJTRCBBDUOW-RNFKDHMMSA-N
HMDB10323,297.121237345,C14H19NO6,O[C@@H]1[C@@H](O)[C@H](NCCC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C14H19NO6/c16-9-10(17)12(14(19)20)21-13(11(9)18)15-7-6-8-4-2-1-3-5-8/h1-5,9-13,15-18H,6-7H2,(H,19,20)/t9-,10-,11+,12-,13+/m0/s1",OYNLGXUYULDVEJ,IEECTRCBSA,N,Phenethylamine glucuronide,OYNLGXUYULDVEJ-IEECTRCBSA-N
HMDB10324,298.068867424,C13H14O8,O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C13H14O8/c14-7-8(15)10(11(17)18)20-13(9(7)16)21-12(19)6-4-2-1-3-5-6/h1-5,7-10,13-16H,(H,17,18)/t7-,8-,9+,10-,13-/m0/s1",NLOPFVNXNMEEDI,UNLLLRGISA,N,Benzoyl glucuronide (Benzoic acid),NLOPFVNXNMEEDI-UNLLLRGISA-N
HMDB10325,222.073952802,C8H14O7,CCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1",IWJBVMJWSPZNJH,UQGZVRACSA,N,Ethyl glucuronide,IWJBVMJWSPZNJH-UQGZVRACSA-N
HMDB10326,952.718769513,C21H19I4NO10,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(I)=C2)C(I)=C1)C(O)=O,"InChI=1S/C21H19I4NO10/c22-8-1-6(3-12(26)19(30)31)2-9(23)16(8)34-7-4-10(24)17(11(25)5-7)35-21-15(29)13(27)14(28)18(36-21)20(32)33/h1-2,4-5,12-15,18,21,27-29H,3,26H2,(H,30,31)(H,32,33)/t12-,13-,14-,15+,18-,21?/m0/s1",RGHRJBIKIYUHEV,SGPDEFQSSA,N,Thyroxine glucuronide,RGHRJBIKIYUHEV-SGPDEFQSSA-N
HMDB10327,464.241018128,C25H36O8,CC12CCC3C(CC=C4CC(CCC34C)O[C@@H]3OC([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1CCC2=O,"InChI=1S/C25H36O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-29H,4-11H2,1-2H3,(H,30,31)/t13?,14?,15?,16?,18-,19-,20+,21?,23+,24?,25?/m0/s1",GLONBVCUAVPJFV,CLIRWHJISA,N,Dehydroisoandrosterone 3-glucuronide,GLONBVCUAVPJFV-CLIRWHJISA-N
HMDB10328,313.116151967,C14H19NO7,NCCC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1,"InChI=1S/C14H19NO7/c15-6-5-7-1-3-8(4-2-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-4,9-12,14,16-18H,5-6,15H2,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1",AQKVISOBVPVACA,BYNIDDHOSA,N,Tyramine glucuronide,AQKVISOBVPVACA-BYNIDDHOSA-N
HMDB10329,329.111066589,C14H19NO8,NCCC1=CC(O)=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1",CQASRCDNLNMIJY,BYNIDDHOSA,N,Dopamine glucuronide,CQASRCDNLNMIJY-BYNIDDHOSA-N
HMDB10330,562.386954082,C33H54O7,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)C,"InChI=1S/C33H54O7/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-32(20,4)25(22)14-16-33(23,24)5)39-31-28(36)26(34)27(35)29(40-31)30(37)38/h9,18-19,21-29,31,34-36H,6-8,10-17H2,1-5H3,(H,37,38)/t19-,21?,22+,23-,24+,25+,26+,27+,28-,29+,31-,32+,33-/m1/s1",IJLBJBCDNYOWPJ,BBPBCBHPSA,N,Cholesterol glucuronide,IJLBJBCDNYOWPJ-BBPBCBHPSA-N
HMDB10331,418.293053698,C22H42O7,CCCCCCCCCCCCCCCCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-22-19(25)17(23)18(24)20(29-22)21(26)27/h17-20,22-25H,2-16H2,1H3,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1",QFUQXEVPTHAOHS,SXFAUFNYSA,N,Palmitoyl glucuronide,QFUQXEVPTHAOHS-SXFAUFNYSA-N
HMDB10332,760.295572892,C39H44N4O12,CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(=O)O[C@H]3[C@H](O)O[C@@H]([C@@H](O)[C@@H]3O)C(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1,"InChI=1S/C39H44N4O12/c1-7-20-19(6)36(49)43-27(20)14-25-17(4)22(9-11-30(44)45)28(41-25)15-29-23(18(5)24(40-29)13-26-16(3)21(8-2)37(50)42-26)10-12-31(46)54-35-33(48)32(47)34(38(51)52)55-39(35)53/h7-8,13-14,32-35,39-41,47-48,53H,1-2,9-12,15H2,3-6H3,(H,42,50)(H,43,49)(H,44,45)(H,51,52)/b26-13-,27-14-/t32-,33-,34-,35+,39+/m0/s1",NCZCFMOVDHRJII,VBORGTJOSA,N,Bilirubin glucuronide,NCZCFMOVDHRJII-VBORGTJOSA-N
HMDB10333,464.204632622,C24H32O9,[H][C@]12C[C@@H](O)[C@H](OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])C3=C(CC[C@]21[H])C=C(O)C=C3,"InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16+,17-,18-,19+,20-,21-,23?,24-/m0/s1",CZGFLAQOJPXVRV,GITAKMRZSA,N,Estriol-17-glucuronide,CZGFLAQOJPXVRV-GITAKMRZSA-N
HMDB10334,430.126382302,C22H22O9,CC(C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22-/m0/s1",PBTXSZZKPHBHMA,LYFYOZKASA,N,Ketoprofen glucuronide,PBTXSZZKPHBHMA-LYFYOZKASA-N
HMDB10335,464.204632622,C24H32O9,C[C@]12CCC3C(CCC4=C3C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C4)C1C[C@@H](O)[C@@H]2O,"InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13?,14?,15?,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1",UZKIAJMSMKLBQE,WTSDUJKYSA,N,Estriol-3-glucuronide,UZKIAJMSMKLBQE-WTSDUJKYSA-N
HMDB10336,359.121631275,C15H21NO9,CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=C1,"InChI=1S/C15H21NO9/c1-16-5-8(18)6-2-3-9(7(17)4-6)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h2-4,8,10-13,15-21H,5H2,1H3,(H,22,23)/t8-,10-,11-,12+,13-,15+/m0/s1",BLTFFSZSAZRUSC,FYRJOLOESA,N,Epinephrine glucuronide,BLTFFSZSAZRUSC-FYRJOLOESA-N
HMDB10337,462.225368064,C25H34O8,[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,"InChI=1S/C25H34O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h3-4,11,14-21,23,27-29H,5-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1",GCIVSXAHMONYLO,HMAFJQTKSA,N,6-Dehydrotestosterone glucuronide,GCIVSXAHMONYLO-HMAFJQTKSA-N
HMDB10338,480.23593275,C25H36O9,CC12CC(=O)C3C(CCC4CC(CCC34C)OC3OC(C(O)C(O)C3O)C(O)=O)C1CCC2=O,"InChI=1S/C25H36O9/c1-24-8-7-12(33-23-20(30)18(28)19(29)21(34-23)22(31)32)9-11(24)3-4-13-14-5-6-16(27)25(14,2)10-15(26)17(13)24/h11-14,17-21,23,28-30H,3-10H2,1-2H3,(H,31,32)",QTXWOOLAHRQMGZ,UHFFFAOYSA,N,11-Oxo-androsterone glucuronide,QTXWOOLAHRQMGZ-UHFFFAOYSA-N
HMDB10339,468.272318256,C25H40O8,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@H]1OC([C@@H](O)C(O)[C@H]1O)C(O)=O,"InChI=1S/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18?,19-,20+,21?,23-,24-,25-/m0/s1",GYNWSIBKBBWJJW,YMRFBRODSA,N,3-alpha-Androstanediol glucuronide,GYNWSIBKBBWJJW-YMRFBRODSA-N
HMDB10340,462.26175357,C26H38O7,O[C@@H]1[C@@H](O)[C@H](OC\C=C(\C)/C=C/C=C(/C)\C=C\C2=C(C)CCCC2(C)C)O[C@H](C(O)=O)[C@H]1O,"InChI=1S/C26H38O7/c1-16(11-12-19-18(3)10-7-14-26(19,4)5)8-6-9-17(2)13-15-32-25-22(29)20(27)21(28)23(33-25)24(30)31/h6,8-9,11-13,20-23,25,27-29H,7,10,14-15H2,1-5H3,(H,30,31)/b9-6+,12-11+,16-8-,17-13-/t20-,21-,22+,23-,25+/m0/s1",IYHVRAMISWFIRU,GMBUFXMQSA,N,Retinyl beta-glucuronide,IYHVRAMISWFIRU-GMBUFXMQSA-N
HMDB10341,433.210052351,C23H31NO7,[H][C@]12CC3=C(C=C(OC4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)[C@@]3(CCCC[C@]13[H])CCN2C,"InChI=1S/C23H31NO7/c1-24-9-8-23-7-3-2-4-14(23)16(24)10-12-5-6-13(11-15(12)23)30-22-19(27)17(25)18(26)20(31-22)21(28)29/h5-6,11,14,16-20,22,25-27H,2-4,7-10H2,1H3,(H,28,29)/t14-,16-,17+,18+,19-,20+,22?,23-/m1/s1",YQAUTKINOXBFCA,WCUIRXETSA,N,Dextrorphan O-glucuronide,YQAUTKINOXBFCA-WCUIRXETSA-N
HMDB10342,588.36621864,C34H52O8,C[C@H](\C=C\[C@H](C)C(C)(C)O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])CCC2\C(CCC[C@]12C)=C\C=C1\CC(O)CCC1=C,"InChI=1S/C34H52O8/c1-19-10-14-24(35)18-23(19)13-12-22-8-7-17-34(6)25(15-16-26(22)34)20(2)9-11-21(3)33(4,5)42-32-29(38)27(36)28(37)30(41-32)31(39)40/h9,11-13,20-21,24-30,32,35-38H,1,7-8,10,14-18H2,2-6H3,(H,39,40)/b11-9+,22-12+,23-13-/t20-,21+,24?,25-,26?,27+,28+,29-,30+,32+,34-/m1/s1",MWEHQOJAQKGFMP,JJVXHKTJSA,N,25-Hydroxyvitamin D2-25-glucuronide,MWEHQOJAQKGFMP-JJVXHKTJSA-N
HMDB10343,382.162767808,C19H26O8,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10?,13-,14-,15+,16-,19-/m0/s1",ABOLXXZAJIAUGR,JPMMFUSZSA,N,1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid,ABOLXXZAJIAUGR-JPMMFUSZSA-N
HMDB10344,572.371304018,C34H52O7,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CCC2\C(CCC[C@]12C)=C\C=C1/CC(CCC1=C)O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C34H52O7/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-34(26,27)6)12-13-24-18-25(14-11-21(24)4)40-33-30(37)28(35)29(36)31(41-33)32(38)39/h9-10,12-13,19-20,22,25-31,33,35-37H,4,7-8,11,14-18H2,1-3,5-6H3,(H,38,39)/b10-9+,23-12+,24-13+/t20-,22+,25?,26+,27?,28-,29-,30+,31-,33+,34+/m0/s1",NLCXHIGBBJLZMX,HLQYQDSBSA,N,Vitamin D2 3-glucuronide,NLCXHIGBBJLZMX-HLQYQDSBSA-N
HMDB10345,536.225761994,C27H36O11,[H][C@]12CC3(C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3=CC(=O)CC[C@]3(C)C21,"InChI=1S/C27H36O11/c1-26-7-6-12(29)8-11(26)2-3-13-14-4-5-15(16(30)10-28)27(14)9-17(18(13)26)36-25(27)38-24-21(33)19(31)20(32)22(37-24)23(34)35/h8,13-15,17-22,24-25,28,31-33H,2-7,9-10H2,1H3,(H,34,35)/t13?,14?,15-,17-,18?,19+,20+,21-,22+,24+,25?,26+,27?/m1/s1",OMRIQCUHVVBJKI,ACOLCOCVSA,N,Aldosterone 18-glucuronide,OMRIQCUHVVBJKI-ACOLCOCVSA-N
HMDB10346,826.822126125,C21H20I3NO10,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(I)=C1)C(O)=O,"InChI=1S/C21H20I3NO10/c22-9-6-8(33-17-10(23)3-7(4-11(17)24)5-12(25)19(29)30)1-2-13(9)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-4,6,12,14-16,18,21,26-28H,5,25H2,(H,29,30)(H,31,32)/t12-,14-,15-,16+,18-,21+/m0/s1",YYFGGGCINNGOLE,ZDXOGFQLSA,N,Triiodothyronine glucuronide,YYFGGGCINNGOLE-ZDXOGFQLSA-N
HMDB10347,320.147117744,C14H24O8,CCCCCCCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C14H24O8/c1-2-3-4-5-6-7-8(15)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h9-12,14,16-18H,2-7H2,1H3,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1",ASFORWUCPCKFPY,BYNIDDHOSA,N,Octanoylglucuronide,ASFORWUCPCKFPY-BYNIDDHOSA-N
HMDB10348,464.241018128,C25H36O8,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C25H36O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-29H,4-11H2,1-2H3,(H,30,31)/t13-,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1",GLONBVCUAVPJFV,PCDHEYSGSA,N,Dehydroepiandrosterone 3-glucuronide,GLONBVCUAVPJFV-PCDHEYSGSA-N
HMDB10349,448.209718,C24H32O8,[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3,"InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17-,18+,19+,20-,21+,23-,24+/m1/s1",MUOHJTRCBBDUOW,FNUZHIFDSA,N,Estradiol-17alpha 3-D-glucuronoside,MUOHJTRCBBDUOW-FNUZHIFDSA-N
HMDB10350,298.10525293,C14H18O7,O[C@@H]1[C@@H](O)[C@H](OCCC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C14H18O7/c15-9-10(16)12(13(18)19)21-14(11(9)17)20-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-17H,6-7H2,(H,18,19)/t9-,10-,11+,12-,14+/m0/s1",HIXLLXLCNONZRH,BYNIDDHOSA,N,2-Phenylethanol glucuronide,HIXLLXLCNONZRH-BYNIDDHOSA-N
HMDB10351,482.251582814,C25H38O9,[H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C25H38O9/c1-24-8-7-12(33-23-20(30)18(28)19(29)21(34-23)22(31)32)9-11(24)3-4-13-14-5-6-16(27)25(14,2)10-15(26)17(13)24/h11-15,17-21,23,26,28-30H,3-10H2,1-2H3,(H,31,32)/t11-,12+,13-,14-,15-,17+,18-,19-,20+,21-,23+,24-,25-/m0/s1",BRPLOVMHAFXVOQ,HUMIJZDLSA,N,11-beta-Hydroxyandrosterone-3-glucuronide,BRPLOVMHAFXVOQ-HUMIJZDLSA-N
HMDB10352,496.303618384,C27H44O8,CC(O)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC1OC(C(O)C(O)C1O)C(O)=O,"InChI=1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)",ZFFFJLDTCLJDHL,UHFFFAOYSA,N,"3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide",ZFFFJLDTCLJDHL-UHFFFAOYSA-N
HMDB10353,464.204632622,C24H32O9,[H][C@@]12[C@H](CC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H])O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)17(24)15(9-16(24)26)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8,12-15,17-21,23,27-29H,2-7,9H2,1H3,(H,30,31)/t12-,13+,14+,15-,17+,18-,19-,20+,21-,23+,24+/m0/s1",ADQUXZRKOKKULD,CZOXBATISA,N,"15-Hydroxynorandrostene-3,17-dione glucuronide",ADQUXZRKOKKULD-CZOXBATISA-N
HMDB10354,464.204632622,C24H32O9,[H][C@@]12C[C@@H](O)[C@H](O[C@@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1",CZGFLAQOJPXVRV,JRSYHJKYSA,N,"16-alpha,17-beta-estriol 17-beta-D-glucuronide",CZGFLAQOJPXVRV-JRSYHJKYSA-N
HMDB10355,612.387348012,C33H56O10,[H][C@@]1(CCC2C3C(O)CC4CC(CC[C@]4(C)C3C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)(C)O,"InChI=1S/C33H56O10/c1-16(7-6-11-31(2,3)41)19-8-9-20-24-21(15-23(35)33(19,20)5)32(4)12-10-18(13-17(32)14-22(24)34)42-30-27(38)25(36)26(37)28(43-30)29(39)40/h16-28,30,34-38,41H,6-15H2,1-5H3,(H,39,40)/t16-,17?,18?,19-,20?,21?,22?,23-,24?,25-,26+,27-,28+,30-,32+,33-/m1/s1",FHOADKVSESICIH,YQDZQFSMSA,N,"Cholestane-3,7,12,25-tetrol-3-glucuronide",FHOADKVSESICIH-YQDZQFSMSA-N
HMDB10356,544.161447178,C24H32O12S,[H][C@@]12C[C@@H](OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3,"InChI=1S/C24H32O12S/c1-24-7-6-13-12-5-3-11(36-37(31,32)33)8-10(12)2-4-14(13)15(24)9-16(21(24)28)34-23-19(27)17(25)18(26)20(35-23)22(29)30/h3,5,8,13-21,23,25-28H,2,4,6-7,9H2,1H3,(H,29,30)(H,31,32,33)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23?,24+/m1/s1",ATNWFRGUDKUYOG,SUPAOECSSA,N,Estriol 3-sulfate 16-glucuronide,ATNWFRGUDKUYOG-SUPAOECSSA-N
HMDB10357,540.257062122,C27H40O11,[H][C@@]12CC3(C(O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3CC(CC[C@]3(C)C21)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C27H40O11/c1-26-7-6-12(36-24-21(32)19(30)20(31)22(38-24)23(33)34)8-11(26)2-3-13-14-4-5-15(16(29)10-28)27(14)9-17(18(13)26)37-25(27)35/h11-15,17-22,24-25,28,30-32,35H,2-10H2,1H3,(H,33,34)/t11?,12?,13?,14?,15-,17+,18?,19-,20+,21-,22+,24-,25?,26+,27?/m1/s1",CGIURIOFMWUPSV,RUQPETGGSA,N,Tetrahydroaldosterone-3-glucuronide,CGIURIOFMWUPSV-RUQPETGGSA-N
HMDB10358,528.166532556,C24H32O11S,[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3,"InChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(35-36(30,31)32)10-11(13)2-4-15(14)16(24)6-7-17(24)33-23-20(27)18(25)19(26)21(34-23)22(28)29/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1",VRMSCBRLZUCJBX,QXYWQCSFSA,N,17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide),VRMSCBRLZUCJBX-QXYWQCSFSA-N
HMDB10359,468.272318256,C25H40O8,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18+,19-,20+,21+,23+,24-,25-/m0/s1",GYNWSIBKBBWJJW,JRTXBCKMSA,N,17-Hydroxyandrostane-3-glucuronide,GYNWSIBKBBWJJW-JRTXBCKMSA-N
HMDB10360,588.36621864,C34H52O8,C[C@H](\C=C\[C@H](C)C(C)(C)OC1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C34H52O8/c1-19-10-14-24(35)18-23(19)13-12-22-8-7-17-34(6)25(15-16-26(22)34)20(2)9-11-21(3)33(4,5)42-32-29(38)27(36)28(37)30(41-32)31(39)40/h9,11-13,20-21,24-30,32,35-38H,1,7-8,10,14-18H2,2-6H3,(H,39,40)/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,27+,28+,29-,30+,32?,34-/m1/s1",MWEHQOJAQKGFMP,IZMSGZPRSA,N,25-Hydroxyvitamin D2 25-(beta-glucuronide),MWEHQOJAQKGFMP-IZMSGZPRSA-N
HMDB10361,606.34039782,C33H50O10,C[C@H](C[C@H](OC1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(O)(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C33H50O10/c1-17-8-11-21(34)16-20(17)10-9-19-7-6-14-33(5)22(12-13-23(19)33)18(2)15-24(29(38)32(3,4)41)42-31-27(37)25(35)26(36)28(43-31)30(39)40/h9-10,18,21-28,31,34-37,41H,1,6-8,11-16H2,2-5H3,(H,39,40)/b19-9+,20-10-/t18-,21+,22-,23+,24+,25+,26+,27-,28+,31?,33-/m1/s1",USYNZBLVOOXNSN,ARRWHRBTSA,N,"(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)",USYNZBLVOOXNSN-ARRWHRBTSA-N
HMDB10362,339.095416525,C15H17NO8,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2NC=CC2=C1,"InChI=1S/C15H17NO8/c1-22-8-4-6-2-3-16-7(6)5-9(8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-5,10-13,15-19H,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1",NECCHCPFFUXUOB,DKBOKBLXSA,N,6-Hydroxy-5-methoxyindole glucuronide,NECCHCPFFUXUOB-DKBOKBLXSA-N
HMDB10363,339.095416525,C15H17NO8,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2C=CNC2=C1,"InChI=1S/C15H17NO8/c1-22-8-5-7-6(2-3-16-7)4-9(8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-5,10-13,15-19H,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1",MLRMPLSCFCMXGJ,DKBOKBLXSA,N,5-Hydroxy-6-methoxyindole glucuronide,MLRMPLSCFCMXGJ-DKBOKBLXSA-N
HMDB10364,506.251582814,C27H38O9,CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(C[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C27H38O9/c1-12(28)16-6-7-17-15-5-4-13-10-14(29)8-9-26(13,2)19(15)18(11-27(16,17)3)35-25-22(32)20(30)21(31)23(36-25)24(33)34/h10,15-23,25,30-32H,4-9,11H2,1-3H3,(H,33,34)/t15?,16-,17?,18?,19?,20+,21+,22-,23+,25-,26+,27-/m1/s1",WVTMNZAPPOMZST,UCMXSJKRSA,N,11-Hydroxyprogesterone 11-glucuronide,WVTMNZAPPOMZST-UCMXSJKRSA-N
HMDB10365,466.256668192,C25H38O8,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@H]1OC([C@@H](O)C(O)[C@H]1O)C(O)=O,"InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18?,19-,20+,21?,23-,24-,25-/m0/s1",VFUIRAVTUVCQTF,YJBBFZLGSA,N,3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide,VFUIRAVTUVCQTF-YJBBFZLGSA-N
HMDB10366,776.233485724,C28H44N2O23,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18?,19?,20+,21+,22+,25-,26+,27-,28-/m1/s1",KIUKXJAPPMFGSW,MNSSHETKSA,N,Hyaluronan,KIUKXJAPPMFGSW-MNSSHETKSA-N
HMDB10367,594.537581484,C41H70O2,CCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C41H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h10-11,22,31-32,34-38H,7-9,12-21,23-30H2,1-6H3/b11-10-/t32-,34+,35?,36?,37?,38?,40+,41-/m1/s1",LAMGDJMPDNVWTB,GUIVWMAFSA,N,CE(14:1(9Z)),LAMGDJMPDNVWTB-GUIVWMAFSA-N
HMDB10368,652.615831804,C45H80O2,CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1",XHRPOTDGOASDJS,GHOVPUJYSA,N,CE(18:0),XHRPOTDGOASDJS-GHOVPUJYSA-N
HMDB10369,646.568881612,C45H74O2,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,17-18,26,35-36,38-42H,7-10,13,16,19-25,27-34H2,1-6H3/b12-11-,15-14-,18-17-/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1",GOHHVMNZYOLIPQ,BMVHEVBDSA,N,"CE(18:3(6Z,9Z,12Z))",GOHHVMNZYOLIPQ-BMVHEVBDSA-N
HMDB10370,646.568881612,C45H74O2,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1,"InChI=1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3/b9-8-,12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1",FYMCIBHUFSIWCE,WVXFKAQASA,N,"CE(18:3(9Z,12Z,15Z))",FYMCIBHUFSIWCE-WVXFKAQASA-N
HMDB10371,672.584531676,C47H76O2,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,28,37-38,40-44H,7,10,13,16,19-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1",HZUAPDDXDDVFOX,FETKFLJASA,N,"CE(20:4(8Z,11Z,14Z,17Z))",HZUAPDDXDDVFOX-FETKFLJASA-N
HMDB10372,706.662781996,C49H86O2,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1,"InChI=1S/C49H86O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h14-15,30,39-40,42-46H,7-13,16-29,31-38H2,1-6H3/b15-14-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1",SQHUGNAFKZZXOT,JWTURFAQSA,N,CE(22:1(13Z)),SQHUGNAFKZZXOT-JWTURFAQSA-N
HMDB10373,674.60018174,C47H78O2,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1,"InChI=1S/C47H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h14-15,17-18,20-21,28,37-38,40-44H,7-13,16,19,22-27,29-36H2,1-6H3/b15-14-,18-17-,21-20-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1",XQWTZYBOKFFMKJ,HXQMAXTDSA,N,"CE(20:3(5Z,8Z,11Z))",XQWTZYBOKFFMKJ-HXQMAXTDSA-N
HMDB10374,698.60018174,C49H78O2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1S/C49H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7-10,13,16,19,22,25-29,31-38H2,1-6H3/b12-11-,15-14-,18-17-,21-20-,24-23-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1",OMHZQRFOHAXINE,QXYMPDJNSA,N,"CE(22:5(4Z,7Z,10Z,13Z,16Z))",OMHZQRFOHAXINE-QXYMPDJNSA-N
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HMDB10403,569.348139535,C30H52NO7P,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C30H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h6-7,9-10,12-13,15-16,18-19,29,32H,5,8,11,14,17,20-28H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-/t29-/m1/s1",BIEOSECQPGGZMF,NAIWXXGBSA,N,"LysoPC(22:5(7Z,10Z,13Z,16Z,19Z))",BIEOSECQPGGZMF-NAIWXXGBSA-N
HMDB10404,567.332489471,C30H50NO7P,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C30H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,29,32H,5,8,11,14,17,20,23-28H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-/t29-/m1/s1",LSOWKZULVQWMLY,APPDJCNMSA,N,"LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LSOWKZULVQWMLY-APPDJCNMSA-N
HMDB10405,607.457689983,C32H66NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C32H66NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32(35)38-29-31(34)30-40-41(36,37)39-28-27-33(2,3)4/h31,34H,5-30H2,1-4H3/t31-/m1/s1",SKJMUADLQLZAGH,WJOKGBTCSA,N,LysoPC(24:0),SKJMUADLQLZAGH-WJOKGBTCSA-N
HMDB10406,605.442039919,C32H64NO7P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C32H64NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32(35)38-29-31(34)30-40-41(36,37)39-28-27-33(2,3)4/h12-13,31,34H,5-11,14-30H2,1-4H3/b13-12-/t31-/m1/s1",GDXMCRNTFPQYOQ,RPUPUBLZSA,N,LysoPC(24:1(15Z)),GDXMCRNTFPQYOQ-RPUPUBLZSA-N
HMDB10407,479.337574849,C24H50NO6P,CCCCCCCCCCCCCC\C=C/OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C24H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h18,20,24,26H,5-17,19,21-23H2,1-4H3/b20-18-/t24-/m1/s1",HTZINLFNXLXRBC,CQLBIITFSA,N,LysoPC(P-16:0),HTZINLFNXLXRBC-CQLBIITFSA-N
HMDB10408,505.353224913,C26H52NO6P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C26H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h12-13,20,22,26,28H,5-11,14-19,21,23-25H2,1-4H3/b13-12-,22-20-/t26-/m1/s1",KJUNGQXFZYMUOH,FKWLWHCOSA,N,LysoPC(P-18:1(9Z)),KJUNGQXFZYMUOH-FKWLWHCOSA-N
HMDB10409,320.23514489,C20H32O3,CCCCC\C=C\CC1OC1C\C=C/C\C=C\CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6+,12-9+,13-10-",DXOYQVHGIODESM,IQCOFVSKSA,N,"11,12-EpETrE",DXOYQVHGIODESM-IQCOFVSKSA-N
HMDB10410,350.20932407,C20H30O5,CCC(O)\C=C\C=C/CC(O)\C=C\C=C\C=C/C(O)CCCC(O)=O,"InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-",AOPOCGPBAIARAV,WEKRNNBPSA,N,Resolvin E1,AOPOCGPBAIARAV-WEKRNNBPSA-N
HMDB10411,778.70504074,C49H94O6,[H]C(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3",NSQZMMPMMBEIIA,UHFFFAOYSA,N,TG(16:0/14:0/16:0),NSQZMMPMMBEIIA-UHFFFAOYSA-N
HMDB10412,776.689390682,C49H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-/t46-/m1/s1",VUYXIQLBLBPRDY,VOHILQMLSA,N,TG(16:0/14:0/16:1(9Z)),VUYXIQLBLBPRDY-VOHILQMLSA-N
HMDB10413,806.736340876,C51H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m0/s1",HVGKTEKOBPKGTR,DYVQZXGMSA,N,TG(16:0/14:0/18:0),HVGKTEKOBPKGTR-DYVQZXGMSA-N
HMDB10414,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h24-25,48H,4-23,26-47H2,1-3H3/b25-24-/t48-/m0/s1",OXKCYPBFNOPGNR,WHHGSLFXSA,N,TG(16:0/14:0/18:1(9Z)),OXKCYPBFNOPGNR-WHHGSLFXSA-N
HMDB10415,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,24-25,48H,4-15,17-18,20-23,26-47H2,1-3H3/b19-16-,25-24-/t48-/m0/s1",UKADBOOPSKVURC,RGFFXGESSA,N,"TG(16:0/14:0/18:2(9Z,12Z))",UKADBOOPSKVURC-RGFFXGESSA-N
HMDB10416,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19,22,50H,4-18,20-21,23-49H2,1-3H3/b22-19-/t50-/m0/s1",ZKEWGTVAIGJNBK,ZMSSUMMHSA,N,TG(16:0/16:0/18:1(11Z)),ZKEWGTVAIGJNBK-ZMSSUMMHSA-N
HMDB10417,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,50H,4-6,8-9,11-15,17-18,20-24,27-49H2,1-3H3/b10-7-,19-16-,26-25-/t50-/m0/s1",WLFXGZDFDKIDIL,MXPUMGEASA,N,"TG(16:0/16:0/18:3(9Z,12Z,15Z))",WLFXGZDFDKIDIL-MXPUMGEASA-N
HMDB10418,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,41,44,54H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-33-,44-41-/t54-/m0/s1",GNADFLWMYUNMMR,JZZQZGMZSA,N,"TG(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GNADFLWMYUNMMR-JZZQZGMZSA-N
HMDB10419,774.673740612,C49H90O6,[H]C(COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h19-20,22-23,46H,4-18,21,24-45H2,1-3H3/b22-19-,23-20-",LGZSJHAMIMLPBP,IKJQKJQYSA,N,TG(16:1(9Z)/14:0/16:1(9Z)),LGZSJHAMIMLPBP-IKJQKJQYSA-N
HMDB10420,802.705040747,C51H94O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,48H,4-18,21,24-47H2,1-3H3/b22-19-,23-20-/t48-/m0/s1",YGWWTTCPRIQQJS,ALPLOHNWSA,N,TG(16:1(9Z)/14:0/18:1(11Z)),YGWWTTCPRIQQJS-ALPLOHNWSA-N
HMDB10421,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h20,23-25,48H,4-19,21-22,26-47H2,1-3H3/b23-20-,25-24-/t48-/m0/s1",KIFHLTOCILBBRR,SWKFLNMBSA,N,TG(16:1(9Z)/14:0/18:1(9Z)),KIFHLTOCILBBRR-SWKFLNMBSA-N
HMDB10422,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23-25,48H,4-15,17-18,21-22,26-47H2,1-3H3/b19-16-,23-20-,25-24-/t48-/m0/s1",UISFXCLEVHIWGH,ZWSZJGPESA,N,"TG(16:1(9Z)/14:0/18:2(9Z,12Z))",UISFXCLEVHIWGH-ZWSZJGPESA-N
HMDB10423,830.736340876,C53H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19-20,22-23,50H,4-18,21,24-49H2,1-3H3/b22-19-,23-20-/t50-/m0/s1",TVENQJOAVIJNCV,ZRBMIEAUSA,N,TG(16:1(9Z)/16:0/18:1(11Z)),TVENQJOAVIJNCV-ZRBMIEAUSA-N
HMDB10424,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,50H,4-6,8-9,11-15,17-18,21-22,24,27-49H2,1-3H3/b10-7-,19-16-,23-20-,26-25-/t50-/m0/s1",LCCSSJALYOQLAY,SHDUROFGSA,N,"TG(16:1(9Z)/16:0/18:3(9Z,12Z,15Z))",LCCSSJALYOQLAY-SHDUROFGSA-N
HMDB10425,858.767641004,C55H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,52H,4-18,20,23,25-51H2,1-3H3/b22-19-,24-21-/t52-/m0/s1",QOKAQJJBGBHKQF,OYYHVPHHSA,N,TG(16:1(9Z)/18:0/18:1(11Z)),QOKAQJJBGBHKQF-OYYHVPHHSA-N
HMDB10426,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,48H,4-19,21-22,24-47H2,1-3H3/b23-20-/t48-/m1/s1",GDRDGFOLBPNIBE,ALJYPASDSA,N,TG(18:0/14:0/16:1(9Z)),GDRDGFOLBPNIBE-ALJYPASDSA-N
HMDB10427,834.767640996,C53H102O6,[H]C(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3",MARPCPMDFOPPJX,UHFFFAOYSA,N,TG(18:0/14:0/18:0),MARPCPMDFOPPJX-UHFFFAOYSA-N
HMDB10428,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h19,22,50H,4-18,20-21,23-49H2,1-3H3/b22-19-/t50-/m1/s1",MITUBFKADCJAMS,VLBIAFCBSA,N,TG(18:0/14:0/18:1(11Z)),MITUBFKADCJAMS-VLBIAFCBSA-N
HMDB10429,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h24,26,50H,4-23,25,27-49H2,1-3H3/b26-24-/t50-/m1/s1",IFVQPZDHFMEHAS,IHQTTYFESA,N,TG(18:0/14:0/18:1(9Z)),IFVQPZDHFMEHAS-IHQTTYFESA-N
HMDB10430,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,50H,4-15,17-18,20-23,25,27-49H2,1-3H3/b19-16-,26-24-/t50-/m1/s1",ODCBLKWKYWYBIY,GLRQSATNSA,N,"TG(18:0/14:0/18:2(9Z,12Z))",ODCBLKWKYWYBIY-GLRQSATNSA-N
HMDB10431,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,22,52H,4-18,20-21,23-51H2,1-3H3/b22-19-/t52-/m1/s1",XWOGDCXWTYZPKJ,PDBLLJHRSA,N,TG(18:0/16:0/18:1(11Z)),XWOGDCXWTYZPKJ-PDBLLJHRSA-N
HMDB10432,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,52H,4-6,8-9,11-15,17-18,20-24,26,28-51H2,1-3H3/b10-7-,19-16-,27-25-/t52-/m1/s1",GRVGSTWBCPVINB,KORYJFEASA,N,"TG(18:0/16:0/18:3(9Z,12Z,15Z))",GRVGSTWBCPVINB-KORYJFEASA-N
HMDB10433,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,54H,4-18,20-21,23-53H2,1-3H3/b22-19-/t54-/m1/s1",CXVKBFLPGNGMQW,NAWMRHBJSA,N,TG(18:0/18:0/18:1(11Z)),CXVKBFLPGNGMQW-NAWMRHBJSA-N
HMDB10434,830.736340868,C53H98O6,[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h19-20,22-23,50H,4-18,21,24-49H2,1-3H3/b22-19-,23-20-",KSDAXSHCJFDETR,IKJQKJQYSA,N,TG(18:1(11Z)/14:0/18:1(11Z)),KSDAXSHCJFDETR-IKJQKJQYSA-N
HMDB10435,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h19,22,25,27,50H,4-18,20-21,23-24,26,28-49H2,1-3H3/b22-19-,27-25-/t50-/m0/s1",FYLBINGMERYUTQ,DIPARRDKSA,N,TG(18:1(11Z)/14:0/18:1(9Z)),FYLBINGMERYUTQ-DIPARRDKSA-N
HMDB10436,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,50H,4-15,17-18,21-22,25,27-49H2,1-3H3/b19-16-,23-20-,26-24-/t50-/m1/s1",AGHVWCUULDSONO,ZURINDLLSA,N,"TG(18:1(11Z)/14:0/18:2(9Z,12Z))",AGHVWCUULDSONO-ZURINDLLSA-N
HMDB10437,858.767640996,C55H102O6,[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,52H,4-18,21,24-51H2,1-3H3/b22-19-,23-20-",SFJDWDOXOLBSHJ,IKJQKJQYSA,N,TG(18:1(11Z)/16:0/18:1(11Z)),SFJDWDOXOLBSHJ-IKJQKJQYSA-N
HMDB10438,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,22,26,28,52H,4-18,20-21,23-25,27,29-51H2,1-3H3/b22-19-,28-26-/t52-/m0/s1",HYQDVSFOHNVBHQ,SHXCIMIZSA,N,TG(18:1(11Z)/16:0/18:1(9Z)),HYQDVSFOHNVBHQ-SHXCIMIZSA-N
HMDB10439,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,52H,4-15,17-18,21-22,24,26,28-51H2,1-3H3/b19-16-,23-20-,27-25-/t52-/m1/s1",CKVYPEYQBVKVNX,PVTXHSMZSA,N,"TG(18:1(11Z)/16:0/18:2(9Z,12Z))",CKVYPEYQBVKVNX-PVTXHSMZSA-N
HMDB10440,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,52H,4-6,8-9,11-15,17-18,21-22,24,26,28-51H2,1-3H3/b10-7-,19-16-,23-20-,27-25-/t52-/m1/s1",WHSFIEHFDFUDFT,JTKAHKBLSA,N,"TG(18:1(11Z)/16:0/18:3(9Z,12Z,15Z))",WHSFIEHFDFUDFT-JTKAHKBLSA-N
HMDB10441,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,33,38,41,54H,4-15,17-18,21-22,24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,23-20-,27-25-,33-30-,41-38-/t54-/m0/s1",MZKZFZRBZNYKEI,OJPGLQQHSA,N,"TG(18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))",MZKZFZRBZNYKEI-OJPGLQQHSA-N
HMDB10442,856.751990932,C55H100O6,[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19-24,52H,4-18,25-51H2,1-3H3/b22-19-,23-20-,24-21-",BDCYUJLSXCABLJ,BUTYCLJRSA,N,TG(18:1(11Z)/16:1(9Z)/18:1(11Z)),BDCYUJLSXCABLJ-BUTYCLJRSA-N
HMDB10443,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,26,28,52H,4-18,20,23,25,27,29-51H2,1-3H3/b22-19-,24-21-,28-26-/t52-/m0/s1",OGWGRVYSSZTIHF,GDLLXJMDSA,N,TG(18:1(11Z)/16:1(9Z)/18:1(9Z)),OGWGRVYSSZTIHF-GDLLXJMDSA-N
HMDB10444,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,52H,4-15,17-18,22,26,28-51H2,1-3H3/b19-16-,23-20-,24-21-,27-25-/t52-/m1/s1",MNILNAZWJQGFRP,ZLOGNNFTSA,N,"TG(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z))",MNILNAZWJQGFRP-ZLOGNNFTSA-N
HMDB10445,886.798941124,C57H106O6,[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,54H,4-18,21,24-53H2,1-3H3/b22-19-,23-20-",FUPOUCRLDGEIDS,IKJQKJQYSA,N,TG(18:1(11Z)/18:0/18:1(11Z)),FUPOUCRLDGEIDS-IKJQKJQYSA-N
HMDB10446,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,26,29,54H,4-18,20-21,23-25,27-28,30-53H2,1-3H3/b22-19-,29-26-/t54-/m0/s1",KJYGXQGWSAFIIC,DTQXGNIZSA,N,TG(18:1(11Z)/18:0/18:1(9Z)),KJYGXQGWSAFIIC-DTQXGNIZSA-N
HMDB10447,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,54H,4-15,17-18,21-22,24,26-27,29-53H2,1-3H3/b19-16-,23-20-,28-25-/t54-/m1/s1",IBHXNCOURWRZLX,BDGWNPADSA,N,"TG(18:1(11Z)/18:0/18:2(9Z,12Z))",IBHXNCOURWRZLX-BDGWNPADSA-N
HMDB10448,830.736340868,C53H98O6,[H]C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,50H,4-23,28-49H2,1-3H3/b26-24-,27-25-",DDNSMJIEBXEPOS,DSOYXUETSA,N,TG(18:1(9Z)/14:0/18:1(9Z)),DDNSMJIEBXEPOS-DSOYXUETSA-N
HMDB10449,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,50H,4-15,17-18,20-23,28-49H2,1-3H3/b19-16-,26-24-,27-25-/t50-/m1/s1",WBZBEPPZYAUHCV,NLSPPTNKSA,N,"TG(18:1(9Z)/14:0/18:2(9Z,12Z))",WBZBEPPZYAUHCV-NLSPPTNKSA-N
HMDB10450,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-29,31,36,39,52H,4-15,17-18,20-23,27,30,32-35,37-38,40-51H2,1-3H3/b19-16-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1",JBTFUWBVCCYOPB,RVHDJDADSA,N,"TG(18:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))",JBTFUWBVCCYOPB-RVHDJDADSA-N
HMDB10451,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,52H,4-6,8-9,11-15,17-18,20-24,29-51H2,1-3H3/b10-7-,19-16-,27-25-,28-26-/t52-/m1/s1",ANDPOPXUMPRTAL,HPUGMXJKSA,N,"TG(18:1(9Z)/16:0/18:3(9Z,12Z,15Z))",ANDPOPXUMPRTAL-HPUGMXJKSA-N
HMDB10452,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29,54H,4-15,17-18,20-24,28,30-53H2,1-3H3/b19-16-,27-25-,29-26-/t54-/m0/s1",TYPSCZYHWXUNQD,HLYOSYIHSA,N,"TG(18:1(9Z)/16:0/20:2(11Z,14Z))",TYPSCZYHWXUNQD-HLYOSYIHSA-N
HMDB10453,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,33,38,41,54H,4-6,8-9,11-15,17-18,20-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1",QFWRCXUOTZVILC,TZLKAQOHSA,N,"TG(18:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",QFWRCXUOTZVILC-TZLKAQOHSA-N
HMDB10454,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,35,37,56H,4-6,8-9,11-15,17-18,20-24,28,32-34,36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-35-/t56-/m0/s1",FMWBJEAEGFGGAB,QZMSMHIZSA,N,"TG(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",FMWBJEAEGFGGAB-QZMSMHIZSA-N
HMDB10455,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,35,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m0/s1",PGJWAHSGHMELDL,FJYHVBGYSA,N,"TG(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PGJWAHSGHMELDL-FJYHVBGYSA-N
HMDB10456,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,54H,4-6,8-9,11-15,17-18,20-24,27,30-53H2,1-3H3/b10-7-,19-16-,28-25-,29-26-/t54-/m1/s1",AJZXAAFSXUMAJT,KZWILNJASA,N,"TG(18:1(9Z)/18:0/18:3(9Z,12Z,15Z))",AJZXAAFSXUMAJT-KZWILNJASA-N
HMDB10457,884.78329106,C57H104O6,[H]C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,54H,4-20,22-23,27,30-53H2,1-3H3/b24-21-,28-25-,29-26-",VCOQISMTLHMNRY,HGKIKGFLSA,N,TG(18:1(9Z)/18:1(11Z)/18:1(9Z)),VCOQISMTLHMNRY-HGKIKGFLSA-N
HMDB10458,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,54H,4-15,17-18,20,22-23,27,30-53H2,1-3H3/b19-16-,24-21-,28-25-,29-26-/t54-/m1/s1",DSCHILLYKXFUMK,KJCLFLEFSA,N,"TG(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z))",DSCHILLYKXFUMK-KJCLFLEFSA-N
HMDB10459,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,37,54H,4-15,17-18,20-24,31-33,35-36,38-53H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-/t54-/m1/s1",GOEUQPTVSLNGLY,BFAXNOOESA,N,"TG(18:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))",GOEUQPTVSLNGLY-BFAXNOOESA-N
HMDB10460,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,54H,4-6,8-9,11-15,17-18,20-24,31-53H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-/t54-/m1/s1",OEJXMJPFOHYSIU,KXOAOTBFSA,N,"TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",OEJXMJPFOHYSIU-KXOAOTBFSA-N
HMDB10461,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-31,56H,4-15,17-18,20-24,29,32-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-/t56-/m0/s1",SQBMPFCSSGSZFV,CFJWCJEASA,N,"TG(18:1(9Z)/18:1(9Z)/20:2(11Z,14Z))",SQBMPFCSSGSZFV-CFJWCJEASA-N
HMDB10462,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25-28,30-32,34,40,43,56H,4-24,29,33,35-39,41-42,44-55H2,1-3H3/b28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1",YJZBAWRECLJIIL,YQIRGEGISA,N,"TG(18:1(9Z)/18:1(9Z)/20:3(5Z,8Z,11Z))",YJZBAWRECLJIIL-YQIRGEGISA-N
HMDB10463,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-32,34,56H,4-15,17-18,20-24,29,33,35-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",JPZGZSPDZHKRKR,HFRMDMPHSA,N,"TG(18:1(9Z)/18:1(9Z)/20:3(8Z,11Z,14Z))",JPZGZSPDZHKRKR-HFRMDMPHSA-N
HMDB10464,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30-32,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1",FNMWUFNPKFCWPC,FOFLTZEHSA,N,"TG(18:1(9Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FNMWUFNPKFCWPC-FOFLTZEHSA-N
HMDB10465,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30-33,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m0/s1",QFVBKJOYLFHVKV,UHIYZWFBSA,N,"TG(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QFVBKJOYLFHVKV-UHIYZWFBSA-N
HMDB10466,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h25-28,32-33,58H,4-24,29-31,34-57H2,1-3H3/b28-25-,32-26-,33-27-/t58-/m0/s1",TUJAWJCRCOOMQU,GERDQFRXSA,N,TG(18:1(9Z)/18:1(9Z)/22:1(13Z)),TUJAWJCRCOOMQU-GERDQFRXSA-N
HMDB10467,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-33,36,39,58H,4-15,17-18,20-24,29,34-35,37-38,40-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m0/s1",MOALQBYBRKKDEH,APUUGQDFSA,N,"TG(18:1(9Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",MOALQBYBRKKDEH-APUUGQDFSA-N
HMDB10468,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30-33,36,39,58H,4-6,8-9,11-15,17-18,20-24,29,34-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m0/s1",XSJRKDQVEHTWNV,AWPUEMNHSA,N,"TG(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XSJRKDQVEHTWNV-AWPUEMNHSA-N
HMDB10469,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,37,56H,4-6,8-9,11-15,18,21-24,28,32-34,36,38-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-/t56-/m0/s1",WMUIWNLPCBPHAE,JQDUZSGKSA,N,"TG(18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",WMUIWNLPCBPHAE-JQDUZSGKSA-N
HMDB10470,826.70504074,C53H94O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,50H,4-15,18,21-23,28-49H2,1-3H3/b19-16-,20-17-,26-24-,27-25-",JZVVUGYNBNZRQI,ZBTSZJFVSA,N,"TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))",JZVVUGYNBNZRQI-ZBTSZJFVSA-N
HMDB10471,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,50H,4-6,8-9,11-15,18,21-23,28-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-/t50-/m1/s1",XZZYDJMYMONZAX,JBAUXDQQSA,N,"TG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z))",XZZYDJMYMONZAX-JBAUXDQQSA-N
HMDB10472,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,36,39,52H,4-15,18,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1",HQPWVNCYCOACEY,QYUAGTONSA,N,"TG(18:2(9Z,12Z)/14:0/20:4(5Z,8Z,11Z,14Z))",HQPWVNCYCOACEY-QYUAGTONSA-N
HMDB10473,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,52H,4-6,8-9,11-15,18,21-24,29-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-/t52-/m1/s1",VFDCLCMTXUEIHM,QCSLZTMBSA,N,"TG(18:2(9Z,12Z)/16:0/18:3(9Z,12Z,15Z))",VFDCLCMTXUEIHM-QCSLZTMBSA-N
HMDB10474,882.767641004,C57H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,54H,4-15,18,21-24,28,30-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-/t54-/m0/s1",HYPYKVIIWHXPAS,BIBJHKLQSA,N,"TG(18:2(9Z,12Z)/16:0/20:2(11Z,14Z))",HYPYKVIIWHXPAS-BIBJHKLQSA-N
HMDB10475,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33,38,41,54H,4-6,8-9,11-15,18,21-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1",ABKREXPZUFOPCM,RAEVWBILSA,N,"TG(18:2(9Z,12Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",ABKREXPZUFOPCM-RAEVWBILSA-N
HMDB10476,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,37,43,46,56H,4-6,8-9,11-15,18,21-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m0/s1",FUOPRQKFUZAOIQ,LYGIOTJXSA,N,"TG(18:2(9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FUOPRQKFUZAOIQ-LYGIOTJXSA-N
HMDB10477,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,54H,4-6,8-9,11-15,18,21-24,27,30-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-/t54-/m1/s1",RRAQCLWYZXSZBE,WGGYTBCTSA,N,"TG(18:2(9Z,12Z)/18:0/18:3(9Z,12Z,15Z))",RRAQCLWYZXSZBE-WGGYTBCTSA-N
HMDB10478,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30-32,36,39,45,48,58H,4-6,8-9,11-15,18,21-24,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,48-45-/t58-/m0/s1",IOCGWRUDFTUZNM,ZXDQWLMYSA,N,"TG(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IOCGWRUDFTUZNM-ZXDQWLMYSA-N
HMDB10479,880.751990932,C57H100O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,54H,4-15,18,22-23,27,30-53H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-",YJBUODNAHDVYLJ,LNZLXKATSA,N,"TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))",YJBUODNAHDVYLJ-LNZLXKATSA-N
HMDB10480,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28,30,32,34,40,43,56H,4-15,18,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1",CDDNQFZNAKVPCP,PBWGDFRKSA,N,"TG(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",CDDNQFZNAKVPCP-PBWGDFRKSA-N
HMDB10481,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,54H,4-15,18,21-24,31-33,35-36,38-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-/t54-/m1/s1",JEUSYMMQMCKJOY,FULPZRLFSA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/18:3(6Z,9Z,12Z))",JEUSYMMQMCKJOY-FULPZRLFSA-N
HMDB10482,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,54H,4-6,8-9,11-15,18,21-24,31-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-/t54-/m1/s1",POGJAUDNOWLVNS,ZCUASKLYSA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",POGJAUDNOWLVNS-ZCUASKLYSA-N
HMDB10483,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30-32,34,40,43,56H,4-6,8-9,11-15,18,21-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1",ZZTQCLMDUQMCTQ,AYIVVWGQSA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZZTQCLMDUQMCTQ-AYIVVWGQSA-N
HMDB10484,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-31,56H,4-15,18,21-24,29,32-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-/t56-/m0/s1",XSSVDQWPTCJEQD,BMKPPLNWSA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/20:2(11Z,14Z))",XSSVDQWPTCJEQD-BMKPPLNWSA-N
HMDB10485,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-32,34,56H,4-15,18,21-24,29,33,35-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",BAYJGANIIKHKCP,NARSUOBKSA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/20:3(8Z,11Z,14Z))",BAYJGANIIKHKCP-NARSUOBKSA-N
HMDB10486,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-33,36,39,58H,4-15,18,21-24,29,34-35,37-38,40-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m0/s1",LKHBBOUARAOLFM,KXQXAQKXSA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",LKHBBOUARAOLFM-KXQXAQKXSA-N
HMDB10487,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30-33,36,39,58H,4-6,8-9,11-15,18,21-24,29,34-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m0/s1",BHZWQMNOYPGDNF,NZGDLCEJSA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BHZWQMNOYPGDNF-NZGDLCEJSA-N
HMDB10488,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30-33,36,39,45,48,58H,4-6,8-9,11-15,18,21-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m0/s1",DIVFDZQIIPHWJN,VOCNDMGLSA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DIVFDZQIIPHWJN-VOCNDMGLSA-N
HMDB10489,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37,54H,4-15,22-24,31-33,35-36,38-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-/t54-/m1/s1",GBDGUGNAHCFRDF,MJWDKVSCSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",GBDGUGNAHCFRDF-MJWDKVSCSA-N
HMDB10490,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,54H,4-6,8-9,11-15,22-24,31-53H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-/t54-/m1/s1",NGPHUAVENUDDAO,GZNXBNPNSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",NGPHUAVENUDDAO-GZNXBNPNSA-N
HMDB10491,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-31,56H,4-15,22-24,29,32-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m0/s1",ZTNDRFCABXFVMY,WTJZZRNGSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:2(11Z,14Z))",ZTNDRFCABXFVMY-WTJZZRNGSA-N
HMDB10492,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-32,34,56H,4-15,22-24,29,33,35-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",DODZUDCYRVWEOJ,PUBDBSOHSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:3(8Z,11Z,14Z))",DODZUDCYRVWEOJ-PUBDBSOHSA-N
HMDB10493,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-28,30-32,34,40,43,56H,4-6,8-9,11-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1",ADLPFNWYXJKFQW,OEYGRNRFSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ADLPFNWYXJKFQW-OEYGRNRFSA-N
HMDB10494,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-33,36,39,58H,4-15,22-24,29,34-35,37-38,40-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m0/s1",OMRHWXAGNAWDDT,XILORFSTSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",OMRHWXAGNAWDDT-XILORFSTSA-N
HMDB10495,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-28,30-33,36,39,58H,4-6,8-9,11-15,22-24,29,34-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m0/s1",DNOZVMIUNWBFHO,OIANEIKYSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DNOZVMIUNWBFHO-OIANEIKYSA-N
HMDB10496,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-28,30-33,36,39,45,48,58H,4-6,8-9,11-15,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m0/s1",YNVHIDISXOPRLL,VOUXIQFDSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YNVHIDISXOPRLL-VOUXIQFDSA-N
HMDB10497,822.673740612,C53H90O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,50H,4-6,9,12-15,18,21-23,28-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-",ODGFVMFYWXNDET,WGRVICHUSA,N,"TG(18:3(9Z,12Z,15Z)/14:0/18:3(9Z,12Z,15Z))",ODGFVMFYWXNDET-WGRVICHUSA-N
HMDB10498,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,36,41,44,54H,4-6,9,12-15,18,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m0/s1",FBRYKXDHYCSSKA,WNDHHCJCSA,N,"TG(18:3(9Z,12Z,15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FBRYKXDHYCSSKA-WNDHHCJCSA-N
HMDB10499,850.70504074,C55H94O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,52H,4-6,9,12-15,18,21-24,29-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-",RHWAKRNYKAWEPQ,HTINPRBKSA,N,"TG(18:3(9Z,12Z,15Z)/16:0/18:3(9Z,12Z,15Z))",RHWAKRNYKAWEPQ-HTINPRBKSA-N
HMDB10500,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,37,43,46,56H,4-6,9,12-15,18,21-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m0/s1",JKKJXOPBDBRBKU,MYMFMJOCSA,N,"TG(18:3(9Z,12Z,15Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JKKJXOPBDBRBKU-MYMFMJOCSA-N
HMDB10501,878.736340868,C57H98O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,54H,4-6,9,12-15,18,21-24,27,30-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-",YNIUACHBBNUDCJ,AEIMPNQHSA,N,"TG(18:3(9Z,12Z,15Z)/18:0/18:3(9Z,12Z,15Z))",YNIUACHBBNUDCJ-AEIMPNQHSA-N
HMDB10502,876.720690804,C57H96O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,54H,4-6,9,12-15,18,22-23,27,30-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-",XAPLGDBVXAOWFP,MLQCFMLMSA,N,"TG(18:3(9Z,12Z,15Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",XAPLGDBVXAOWFP-MLQCFMLMSA-N
HMDB10503,876.720690804,C57H96O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,54H,4-6,9,12-15,18,21-24,31-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-",NVWCWIVBYYFJGP,NVKSNHTESA,N,"TG(18:3(9Z,12Z,15Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",NVWCWIVBYYFJGP-NVKSNHTESA-N
HMDB10504,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30-32,34,40,43,56H,4-6,9,12-15,18,21-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1",KSUDLITWNAQVCF,NIIDFXJZSA,N,"TG(18:3(9Z,12Z,15Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KSUDLITWNAQVCF-NIIDFXJZSA-N
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HMDB10512,922.705040747,C61H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-33,36,39,45,48,58H,4-6,13-15,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m0/s1",LYZUIZCXALADNB,DBMYMAKWSA,N,"TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LYZUIZCXALADNB-DBMYMAKWSA-N
HMDB10513,898.70504074,C59H94O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-32,35,41,44,56H,4-7,10,13-15,22-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,44-41-",XEDSLDIDAJFMNV,LJUQFGOVSA,N,"TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",XEDSLDIDAJFMNV-LJUQFGOVSA-N
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HMDB10518,874.70504074,C57H94O6,[H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,37-38,40-41,54H,4-15,18,21-23,28-29,34-36,39,42-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-",DVRTXZUHGFUXSB,RJHNFHBASA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z))",DVRTXZUHGFUXSB-RJHNFHBASA-N
HMDB10519,876.720690811,C57H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,38,41,54H,4-7,9-10,12-15,18,21-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,41-38-/t54-/m1/s1",OREFSGWJXDJEBG,CFLPGUKMSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:0/18:3(9Z,12Z,15Z))",OREFSGWJXDJEBG-CFLPGUKMSA-N
HMDB10520,926.736340876,C61H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,39,41,44-45,48,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m0/s1",CBUDQLFMHACUPV,QTKZUKRISA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CBUDQLFMHACUPV-QTKZUKRISA-N
HMDB10521,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30,32,34,40,43,56H,4-7,9-10,12-15,18,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,34-32-,43-40-/t56-/m1/s1",ANMJACVOMYHOFB,SXPLEOIUSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:0/18:3(9Z,12Z,15Z))",ANMJACVOMYHOFB-SXPLEOIUSA-N
HMDB10522,928.751990932,C61H100O6,[H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33-36,41-42,44-45,58H,4-15,18,22-23,27,30-32,37-40,43,46-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-",FMMIEVFOOYTLFW,GUINWNMKSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",FMMIEVFOOYTLFW-GUINWNMKSA-N
HMDB10523,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-32,34,40,43,56H,4-7,9-10,12-15,18,21-24,29,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1",XNGDOXDLMRJKAE,UWMFRLBBSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",XNGDOXDLMRJKAE-UWMFRLBBSA-N
HMDB10524,926.736340876,C61H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,41-42,44-45,58H,4-6,8-9,11-15,18,21-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-/t58-/m1/s1",AYYUIJNCKOYKGR,IAJUGHIQSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",AYYUIJNCKOYKGR-IAJUGHIQSA-N
HMDB10525,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,37-38,41,43,46,60H,4-6,8-9,11-15,18,21-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m0/s1",JEQMHFPQVKBLLQ,RCKJRCKSSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JEQMHFPQVKBLLQ-RCKJRCKSSA-N
HMDB10526,952.75199094,C63H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,18,21-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",PEWDINSOXAERHQ,HBNDJVCZSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PEWDINSOXAERHQ-HBNDJVCZSA-N
HMDB10527,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-32,34,40,43,56H,4-7,9-10,12-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1",DWUCTGPOYZTRAA,DJKQXZPISA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",DWUCTGPOYZTRAA-DJKQXZPISA-N
HMDB10528,924.720690811,C61H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,41-42,44-45,58H,4-6,8-9,11-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-/t58-/m1/s1",NHGBUKYRNKUYSP,SRYGDWGVSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NHGBUKYRNKUYSP-SRYGDWGVSA-N
HMDB10529,952.75199094,C63H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41,43,46,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m0/s1",AKOYMLIOOBZSET,IXDBBCEUSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AKOYMLIOOBZSET-IXDBBCEUSA-N
HMDB10530,950.736340876,C63H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",RLQOEDDOAWUFTR,NSVHAVNISA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RLQOEDDOAWUFTR-NSVHAVNISA-N
HMDB10531,924.720690811,C61H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-37,42-43,45-46,58H,4-8,10-11,13-15,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m1/s1",SPDHJCJAJYRMFV,LBIHDVJCSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",SPDHJCJAJYRMFV-LBIHDVJCSA-N
HMDB10532,974.736340876,C65H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-/t62-/m0/s1",BOXFBDURIZMSKQ,MZNDNNEASA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BOXFBDURIZMSKQ-MZNDNNEASA-N
HMDB10533,924.720690804,C61H96O6,[H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,41-42,44-45,58H,4-6,9,12-15,18,21-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-",KWSQCBUVZQFFAT,FIMKYDFISA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KWSQCBUVZQFFAT-FIMKYDFISA-N
HMDB10534,952.75199094,C63H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-35,37-38,41,43,46,60H,4-6,9,12-15,18,21-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m0/s1",HUAVJWUSPIMCRO,QIYBODIWSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HUAVJWUSPIMCRO-QIYBODIWSA-N
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HMDB10562,1022.736340868,C69H98O6,[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-48,52-57,66H,4-6,13-15,22-24,31-33,40-42,49-51,58-65H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-,57-54-",SOFMPBOQLPVEQZ,LBUXZKOBSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SOFMPBOQLPVEQZ-LBUXZKOBSA-N
HMDB10564,771.577805117,C43H82NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-40H2,1-4H3,(H,47,48)/b21-19-,22-20-/t41-/m1/s1",XHPZRQBHFOVLEJ,UNUIOPIBSA,N,PE-NMe2(18:1(9Z)/18:1(9Z)),XHPZRQBHFOVLEJ-UNUIOPIBSA-N
HMDB10565,757.562155053,C42H80NO8P,[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,40,43H,4-17,22-39H2,1-3H3,(H,46,47)/b20-18-,21-19-/t40-/m1/s1",LPXFOQGBESUDAX,NLEYBKGJSA,N,PE-NMe(18:1(9Z)/18:1(9Z)),LPXFOQGBESUDAX-NLEYBKGJSA-N
HMDB10566,719.546504989,C39H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H78NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3)4)48-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3,(H,43,44)/t37-/m1/s1",SKWDCOTXHWCSGS,DIPNUNPCSA,N,PE-NMe2(16:0/16:0),SKWDCOTXHWCSGS-DIPNUNPCSA-N
HMDB10567,705.530854925,C38H76NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C38H76NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39-3)47-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36,39H,4-35H2,1-3H3,(H,42,43)/t36-/m1/s1",QSBINWBNXWAVAK,PSXMRANNSA,N,PE-NMe(16:0/16:0),QSBINWBNXWAVAK-PSXMRANNSA-N
HMDB10568,745.562155053,C41H80NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H80NO8P/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3)4)37-47-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h19-20,39H,5-18,21-38H2,1-4H3,(H,45,46)/b20-19-/t39-/m1/s1",ZSVMWQMKUKDZTH,DPTAKULKSA,N,PE-NMe2(16:0/18:1(9Z)),ZSVMWQMKUKDZTH-DPTAKULKSA-N
HMDB10569,731.546504989,C40H78NO8P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C40H78NO8P/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41-3)36-46-39(42)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h18-19,38,41H,4-17,20-37H2,1-3H3,(H,44,45)/b19-18-/t38-/m1/s1",YAOJJIUXLIFZQN,YWTUKGCKSA,N,PE-NMe(16:0/18:1(9Z)),YAOJJIUXLIFZQN-YWTUKGCKSA-N
HMDB10570,722.509785613,C38H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36+/m0/s1",BIABMEZBCHDPBV,MPQUPPDSSA,N,PG(16:0/16:0),BIABMEZBCHDPBV-MPQUPPDSSA-N
HMDB10571,720.494135068,C38H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C38H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35-36,39-40H,3-13,15,17-34H2,1-2H3,(H,43,44)/b16-14-/t35-,36+/m0/s1",NOFOTAHTYLXZNV,DCQLZOMZSA,N,PG(16:0/16:1(9Z)),NOFOTAHTYLXZNV-DCQLZOMZSA-N
HMDB10572,750.54108526,C40H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m0/s1",KBPVYRBBONZJHF,QPPIDDCLSA,N,PG(16:0/18:0),KBPVYRBBONZJHF-QPPIDDCLSA-N
HMDB10573,748.525435196,C40H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1",ADYWCMPUNIVOEA,GPJPVTGXSA,N,PG(16:0/18:1(11Z)),ADYWCMPUNIVOEA-GPJPVTGXSA-N
HMDB10574,748.525435196,C40H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1",PAZGBAOHGQRCBP,HGWHEPCSSA,N,PG(16:0/18:1(9Z)),PAZGBAOHGQRCBP-HGWHEPCSSA-N
HMDB10575,746.509785132,C40H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11-,18-17-/t37-,38+/m0/s1",ATBOMIWRCZXYSZ,WLGRLVTESA,N,"PG(16:0/18:2(9Z,12Z))",ATBOMIWRCZXYSZ-WLGRLVTESA-N
HMDB10576,744.494135068,C40H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37-38,41-42H,3-10,12,14-16,19-21,23,25-36H2,1-2H3,(H,45,46)/b13-11-,18-17-,24-22-/t37-,38+/m0/s1",MVHBCRUZHMRQHX,UIWSMAGISA,N,"PG(16:0/18:3(6Z,9Z,12Z))",MVHBCRUZHMRQHX-UIWSMAGISA-N
HMDB10577,744.494135068,C40H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37-38,41-42H,3-4,6,8-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-/t37-,38+/m0/s1",MLANVLMRGHBUJH,FTZNWAQRSA,N,"PG(16:0/18:3(9Z,12Z,15Z))",MLANVLMRGHBUJH-FTZNWAQRSA-N
HMDB10578,772.525435196,C42H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,26,28,39-40,43-44H,3-16,19,21,23-25,27,29-38H2,1-2H3,(H,47,48)/b18-17-,22-20-,28-26-/t39-,40+/m0/s1",NDGDVGUDTIGKCF,PSQQFKKASA,N,"PG(16:0/20:3(5Z,8Z,11Z))",NDGDVGUDTIGKCF-PSQQFKKASA-N
HMDB10579,772.525435196,C42H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,39-40,43-44H,3-10,12,14-16,19,21,23-38H2,1-2H3,(H,47,48)/b13-11-,18-17-,22-20-/t39-,40+/m0/s1",YQISKVDQGRCZBE,WQQWEMLQSA,N,"PG(16:0/20:3(8Z,11Z,14Z))",YQISKVDQGRCZBE-WQQWEMLQSA-N
HMDB10580,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,39-40,43-44H,3-10,12,14-16,19,21,23-25,27,29-38H2,1-2H3,(H,47,48)/b13-11-,18-17-,22-20-,28-26-/t39-,40+/m0/s1",FBAPNCMXWMGHJY,NYWCEQGFSA,N,"PG(16:0/20:4(5Z,8Z,11Z,14Z))",FBAPNCMXWMGHJY-NYWCEQGFSA-N
HMDB10581,798.54108526,C44H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,41-42,45-46H,3-10,12,14-16,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b13-11-,18-17-,21-20-,26-24-/t41-,42+/m0/s1",OJGRJXYPAAIUAW,YGUNRICGSA,N,"PG(16:0/22:4(7Z,10Z,13Z,16Z))",OJGRJXYPAAIUAW-YGUNRICGSA-N
HMDB10582,796.525435196,C44H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,41-42,45-46H,3-10,12,14-16,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,49,50)/b13-11-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1",FATXSYDWISDRSW,WFYRZQIBSA,N,"PG(16:0/22:5(4Z,7Z,10Z,13Z,16Z))",FATXSYDWISDRSW-WFYRZQIBSA-N
HMDB10583,796.525435196,C44H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,41-42,45-46H,3-4,6,8-10,12,14-16,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b7-5-,13-11-,18-17-,21-20-,26-24-/t41-,42+/m0/s1",AUXSCXICKMGRJE,SAQQATFDSA,N,"PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z))",AUXSCXICKMGRJE-SAQQATFDSA-N
HMDB10584,794.509785132,C44H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,41-42,45-46H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,49,50)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1",HUFCXYMYEWLLHT,XNTJBMDASA,N,"PG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HUFCXYMYEWLLHT-XNTJBMDASA-N
HMDB10585,720.494135068,C38H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C38H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,35-36,39-40H,3-12,14,16-34H2,1-2H3,(H,43,44)/b15-13-/t35-,36+/m0/s1",JZMVGKUGUWBISQ,BWTMDTOGSA,N,PG(16:1(9Z)/16:0),JZMVGKUGUWBISQ-BWTMDTOGSA-N
HMDB10586,718.478485484,C38H71O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C38H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35-36,39-40H,3-12,17-34H2,1-2H3,(H,43,44)/b15-13-,16-14-/t35-,36+/m0/s1",GHQNERCMPIDAAU,NWHZUZAFSA,N,PG(16:1(9Z)/16:1(9Z)),GHQNERCMPIDAAU-NWHZUZAFSA-N
HMDB10587,748.525435196,C40H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,37-38,41-42H,3-13,15,17-36H2,1-2H3,(H,45,46)/b16-14-/t37-,38+/m0/s1",UTZFGBMGFFOIGB,QCMQKWBUSA,N,PG(16:1(9Z)/18:0),UTZFGBMGFFOIGB-QCMQKWBUSA-N
HMDB10588,746.509785132,C40H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,37-38,41-42H,3-12,17-36H2,1-2H3,(H,45,46)/b15-13-,16-14-/t37-,38+/m0/s1",KSRFAXYFDXHNDB,GFJSAGKOSA,N,PG(16:1(9Z)/18:1(11Z)),KSRFAXYFDXHNDB-GFJSAGKOSA-N
HMDB10589,746.509785132,C40H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38+/m0/s1",VCYYBLIRAQBPTM,GDNUZSQHSA,N,PG(16:1(9Z)/18:1(9Z)),VCYYBLIRAQBPTM-GDNUZSQHSA-N
HMDB10590,744.494135068,C40H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37-38,41-42H,3-10,12,15,19-36H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-/t37-,38+/m0/s1",PTJBFPPEYDFAAQ,IEVJMAIKSA,N,"PG(16:1(9Z)/18:2(9Z,12Z))",PTJBFPPEYDFAAQ-IEVJMAIKSA-N
HMDB10591,742.478485004,C40H71O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C40H71O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,22,24,37-38,41-42H,3-10,12,15,19-21,23,25-36H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,24-22-/t37-,38+/m0/s1",WAMGBQWEVHZHEA,OZTJURSHSA,N,"PG(16:1(9Z)/18:3(6Z,9Z,12Z))",WAMGBQWEVHZHEA-OZTJURSHSA-N
HMDB10592,742.478485004,C40H71O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C40H71O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,37-38,41-42H,3-4,6,8-10,12,15,19-36H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-/t37-,38+/m0/s1",BFIMUUYOALOYGB,NJXCWUJZSA,N,"PG(16:1(9Z)/18:3(9Z,12Z,15Z))",BFIMUUYOALOYGB-NJXCWUJZSA-N
HMDB10593,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16-18,20,22,26,28,39-40,43-44H,3-13,15,19,21,23-25,27,29-38H2,1-2H3,(H,47,48)/b16-14-,18-17-,22-20-,28-26-/t39-,40+/m0/s1",VWDLPQNBLHJJIU,OILVUHFKSA,N,"PG(16:1(9Z)/20:3(5Z,8Z,11Z))",VWDLPQNBLHJJIU-OILVUHFKSA-N
HMDB10594,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,39-40,43-44H,3-10,12,15,19,21,23-38H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,22-20-/t39-,40+/m0/s1",SSJULPPOBKUTHM,MXRJECHTSA,N,"PG(16:1(9Z)/20:3(8Z,11Z,14Z))",SSJULPPOBKUTHM-MXRJECHTSA-N
HMDB10595,768.494135068,C42H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,26,28,39-40,43-44H,3-10,12,15,19,21,23-25,27,29-38H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,22-20-,28-26-/t39-,40+/m0/s1",JJRJXJATUPOSGC,JHDARNQCSA,N,"PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",JJRJXJATUPOSGC-JHDARNQCSA-N
HMDB10596,796.525435196,C44H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,41-42,45-46H,3-10,12,15,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,18-17-,21-20-,26-24-/t41-,42+/m0/s1",LVQOWSPRPQUBPY,MCQYTGMZSA,N,"PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",LVQOWSPRPQUBPY-MCQYTGMZSA-N
HMDB10597,794.509785132,C44H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,30,32,41-42,45-46H,3-10,12,15,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1",KQHAYNITKZCSTB,MZAXSNJMSA,N,"PG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KQHAYNITKZCSTB-MZAXSNJMSA-N
HMDB10598,794.509785132,C44H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,41-42,45-46H,3-4,6,8-10,12,15,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-/t41-,42+/m0/s1",SVKGTVFNVHYWFY,CJUAJECJSA,N,"PG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SVKGTVFNVHYWFY-CJUAJECJSA-N
HMDB10599,792.494135068,C44H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H73O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,30,32,41-42,45-46H,3-4,6,8-10,12,15,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1",BRJYLBKRWAAAEC,BHJRESQJSA,N,"PG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BRJYLBKRWAAAEC-BHJRESQJSA-N
HMDB10600,750.54108526,C40H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m0/s1",WYVBOKLMHDFYQD,QPPIDDCLSA,N,PG(18:0/16:0),WYVBOKLMHDFYQD-QPPIDDCLSA-N
HMDB10601,748.525435196,C40H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,37-38,41-42H,3-13,15,17-36H2,1-2H3,(H,45,46)/b16-14-/t37-,38+/m0/s1",IPJKIWYVQGPZEW,QCMQKWBUSA,N,PG(18:0/16:1(9Z)),IPJKIWYVQGPZEW-QCMQKWBUSA-N
HMDB10602,778.572385871,C42H83O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C42H83O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40,43-44H,3-38H2,1-2H3,(H,47,48)/t39-,40+/m0/s1",FVJZSBGHRPJMMA,IOLBBIBUSA,N,PG(18:0/18:0),FVJZSBGHRPJMMA-IOLBBIBUSA-N
HMDB10603,776.556735324,C42H81O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,39-40,43-44H,3-13,15,17-38H2,1-2H3,(H,47,48)/b16-14-/t39-,40+/m0/s1",DLNHWYPDKXOVLH,KBTQSRGQSA,N,PG(18:0/18:1(11Z)),DLNHWYPDKXOVLH-KBTQSRGQSA-N
HMDB10604,776.556735324,C42H81O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/b20-18-/t39-,40+/m0/s1",ZEFGRNLJASLRBZ,QIJYXWHJSA,N,PG(18:0/18:1(9Z)),ZEFGRNLJASLRBZ-QIJYXWHJSA-N
HMDB10605,774.54108526,C42H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,39-40,43-44H,3-11,13,15-17,19,21-38H2,1-2H3,(H,47,48)/b14-12-,20-18-/t39-,40+/m0/s1",JPRWHUSRRGNLOV,KKUBIFFLSA,N,"PG(18:0/18:2(9Z,12Z))",JPRWHUSRRGNLOV-KKUBIFFLSA-N
HMDB10606,772.525435196,C42H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,39-40,43-44H,3-11,13,15-17,19,21-23,25,27-38H2,1-2H3,(H,47,48)/b14-12-,20-18-,26-24-/t39-,40+/m0/s1",AQIAGGRCCDLKEY,MUJLYBRFSA,N,"PG(18:0/18:3(6Z,9Z,12Z))",AQIAGGRCCDLKEY-MUJLYBRFSA-N
HMDB10607,772.525435196,C42H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,39-40,43-44H,3-5,7,9-11,13,15-17,19,21-38H2,1-2H3,(H,47,48)/b8-6-,14-12-,20-18-/t39-,40+/m0/s1",NWLZWBTUOZAKQE,MWIPVWBPSA,N,"PG(18:0/18:3(9Z,12Z,15Z))",NWLZWBTUOZAKQE-MWIPVWBPSA-N
HMDB10608,800.556735324,C44H81O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C44H81O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,41-42,45-46H,3-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b19-17-,24-22-,30-28-/t41-,42+/m0/s1",HYLAOFWJHGFMIV,JKLLYNSPSA,N,"PG(18:0/20:3(5Z,8Z,11Z))",HYLAOFWJHGFMIV-JKLLYNSPSA-N
HMDB10609,800.556735324,C44H81O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H81O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,41-42,45-46H,3-10,12,14-16,18,20-21,23,25-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,24-22-/t41-,42+/m0/s1",YDMMRUHKIIMRLH,MNQIWUGTSA,N,"PG(18:0/20:3(8Z,11Z,14Z))",YDMMRUHKIIMRLH-MNQIWUGTSA-N
HMDB10610,798.54108526,C44H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41-42,45-46H,3-10,12,14-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,24-22-,30-28-/t41-,42+/m0/s1",GGSONEYZZWVXFY,QPQYMHNXSA,N,"PG(18:0/20:4(5Z,8Z,11Z,14Z))",GGSONEYZZWVXFY-QPQYMHNXSA-N
HMDB10611,826.572385388,C46H83O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H83O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,43-44,47-48H,3-10,12,14-16,18,20,23-25,27,29-42H2,1-2H3,(H,51,52)/b13-11-,19-17-,22-21-,28-26-/t43-,44+/m0/s1",DDDVOYJWOXYXHJ,RKHXCIBKSA,N,"PG(18:0/22:4(7Z,10Z,13Z,16Z))",DDDVOYJWOXYXHJ-RKHXCIBKSA-N
HMDB10612,824.556735324,C46H81O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H81O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,43-44,47-48H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b13-11-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1",BPQUVZVCLXWAQN,NITOSIMZSA,N,"PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))",BPQUVZVCLXWAQN-NITOSIMZSA-N
HMDB10613,824.556735324,C46H81O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H81O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,43-44,47-48H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,22-21-,28-26-/t43-,44+/m0/s1",VERJFSNAZVEOPC,IFCQHGPPSA,N,"PG(18:0/22:5(7Z,10Z,13Z,16Z,19Z))",VERJFSNAZVEOPC-IFCQHGPPSA-N
HMDB10614,822.54108526,C46H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43-44,47-48H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1",CLQKBJHAUYGCOB,JBZBJAAJSA,N,"PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CLQKBJHAUYGCOB-JBZBJAAJSA-N
HMDB10615,748.525435196,C40H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1",PYSDYMWMDIXQNB,GPJPVTGXSA,N,PG(18:1(11Z)/16:0),PYSDYMWMDIXQNB-GPJPVTGXSA-N
HMDB10616,746.509785132,C40H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13-16,37-38,41-42H,3-12,17-36H2,1-2H3,(H,45,46)/b15-13-,16-14-/t37-,38+/m0/s1",ICYKSOZJGJBBNU,GFJSAGKOSA,N,PG(18:1(11Z)/16:1(9Z)),ICYKSOZJGJBBNU-GFJSAGKOSA-N
HMDB10617,776.556735324,C42H81O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,39-40,43-44H,3-12,14,16-38H2,1-2H3,(H,47,48)/b15-13-/t39-,40+/m0/s1",HSJNITDXQQDYMJ,KZUSSCLUSA,N,PG(18:1(11Z)/18:0),HSJNITDXQQDYMJ-KZUSSCLUSA-N
HMDB10618,774.541085742,C42H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39-40,43-44H,3-12,17-38H2,1-2H3,(H,47,48)/b15-13-,16-14-/t39-,40+/m0/s1",SOLXJHKVRWSNJX,HKFASTTNSA,N,PG(18:1(11Z)/18:1(11Z)),SOLXJHKVRWSNJX-HKFASTTNSA-N
HMDB10619,774.54108526,C42H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,39-40,43-44H,3-12,14,16-17,19,21-38H2,1-2H3,(H,47,48)/b15-13-,20-18-/t39-,40+/m0/s1",MANUXINXZIXGSR,ZRXIRQNBSA,N,PG(18:1(11Z)/18:1(9Z)),MANUXINXZIXGSR-ZRXIRQNBSA-N
HMDB10620,772.525435196,C42H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,39-40,43-44H,3-11,16-17,19,21-38H2,1-2H3,(H,47,48)/b14-12-,15-13-,20-18-/t39-,40+/m0/s1",MFMFDUSGTGUBKM,YRUDZPEDSA,N,"PG(18:1(11Z)/18:2(9Z,12Z))",MFMFDUSGTGUBKM-YRUDZPEDSA-N
HMDB10621,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,39-40,43-44H,3-11,16-17,19,21-23,25,27-38H2,1-2H3,(H,47,48)/b14-12-,15-13-,20-18-,26-24-/t39-,40+/m0/s1",VSRGIKGINQIKBO,FJNFSWOHSA,N,"PG(18:1(11Z)/18:3(6Z,9Z,12Z))",VSRGIKGINQIKBO-FJNFSWOHSA-N
HMDB10622,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,39-40,43-44H,3-5,7,9-11,16-17,19,21-38H2,1-2H3,(H,47,48)/b8-6-,14-12-,15-13-,20-18-/t39-,40+/m0/s1",QUMYVZXTAFJZPC,KEXKQFALSA,N,"PG(18:1(11Z)/18:3(9Z,12Z,15Z))",QUMYVZXTAFJZPC-KEXKQFALSA-N
HMDB10623,798.54108526,C44H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,41-42,45-46H,3-13,15,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b16-14-,19-17-,24-22-,30-28-/t41-,42+/m0/s1",YJSQCVAZUKVLFB,XNROCPBCSA,N,"PG(18:1(11Z)/20:3(5Z,8Z,11Z))",YJSQCVAZUKVLFB-XNROCPBCSA-N
HMDB10624,798.54108526,C44H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,41-42,45-46H,3-10,12,15,18,20-21,23,25-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,24-22-/t41-,42+/m0/s1",SXQSRHPWOYLKTL,ZYJQSYMOSA,N,"PG(18:1(11Z)/20:3(8Z,11Z,14Z))",SXQSRHPWOYLKTL-ZYJQSYMOSA-N
HMDB10625,796.525435196,C44H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,41-42,45-46H,3-10,12,15,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,24-22-,30-28-/t41-,42+/m0/s1",OGLHIFZQKVSAOQ,FKNVVCOASA,N,"PG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",OGLHIFZQKVSAOQ-FKNVVCOASA-N
HMDB10626,824.556735324,C46H81O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H81O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,43-44,47-48H,3-10,12,15,18,20,23-25,27,29-42H2,1-2H3,(H,51,52)/b13-11-,16-14-,19-17-,22-21-,28-26-/t43-,44+/m0/s1",QFTIPVNWXHDAQV,ADJDFPOESA,N,"PG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",QFTIPVNWXHDAQV-ADJDFPOESA-N
HMDB10627,822.54108526,C46H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,32,34,43-44,47-48H,3-10,12,15,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1",LKTZHVGWEMOSGM,SSGVCTBFSA,N,"PG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LKTZHVGWEMOSGM-SSGVCTBFSA-N
HMDB10628,822.54108526,C46H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,43-44,47-48H,3-4,6,8-10,12,15,18,20,23-25,27,29-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-/t43-,44+/m0/s1",MXASRIGHBMGSPJ,NLRUETAPSA,N,"PG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MXASRIGHBMGSPJ-NLRUETAPSA-N
HMDB10629,820.525435196,C46H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,43-44,47-48H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1",TZGMUGQUTJEGJC,SMHLWGDZSA,N,"PG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",TZGMUGQUTJEGJC-SMHLWGDZSA-N
HMDB10630,748.525435196,C40H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1",GTCKEWVHTGGUSN,HGWHEPCSSA,N,PG(18:1(9Z)/16:0),GTCKEWVHTGGUSN-HGWHEPCSSA-N
HMDB10631,746.509785132,C40H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38+/m0/s1",QGIXWNRQEFVVRM,GDNUZSQHSA,N,PG(18:1(9Z)/16:1(9Z)),QGIXWNRQEFVVRM-GDNUZSQHSA-N
HMDB10632,776.556735324,C42H81O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,39-40,43-44H,3-16,18,20-38H2,1-2H3,(H,47,48)/b19-17-/t39-,40+/m0/s1",URDBSUCIYKJPCG,INSSKLQOSA,N,PG(18:1(9Z)/18:0),URDBSUCIYKJPCG-INSSKLQOSA-N
HMDB10633,774.54108526,C42H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,39-40,43-44H,3-13,15,18,20-38H2,1-2H3,(H,47,48)/b16-14-,19-17-/t39-,40+/m0/s1",NTMBJQYQYMPGRM,MYVKIHSOSA,N,PG(18:1(9Z)/18:1(11Z)),NTMBJQYQYMPGRM-MYVKIHSOSA-N
HMDB10634,774.541085742,C42H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48)/b19-17-,20-18-/t39-,40+/m0/s1",DSNRWDQKZIEDDB,SQYFZQSCSA,N,PG(18:1(9Z)/18:1(9Z)),DSNRWDQKZIEDDB-SQYFZQSCSA-N
HMDB10635,772.525435196,C42H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,39-40,43-44H,3-11,13,15-16,21-38H2,1-2H3,(H,47,48)/b14-12-,19-17-,20-18-/t39-,40+/m0/s1",FSVTVWTVWNNIQX,MODZKLJDSA,N,"PG(18:1(9Z)/18:2(9Z,12Z))",FSVTVWTVWNNIQX-MODZKLJDSA-N
HMDB10636,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,39-40,43-44H,3-11,13,15-16,21-23,25,27-38H2,1-2H3,(H,47,48)/b14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1",DZFSSBHYSJDYFN,MNHFJEBCSA,N,"PG(18:1(9Z)/18:3(6Z,9Z,12Z))",DZFSSBHYSJDYFN-MNHFJEBCSA-N
HMDB10637,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,39-40,43-44H,3-5,7,9-11,13,15-16,21-38H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,20-18-/t39-,40+/m0/s1",SPLOPJJVMQWFIT,SILBTBCMSA,N,"PG(18:1(9Z)/18:3(9Z,12Z,15Z))",SPLOPJJVMQWFIT-SILBTBCMSA-N
HMDB10638,798.54108526,C44H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,41-42,45-46H,3-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1",ZBJMDPMZJJILGD,BQYWGNFBSA,N,"PG(18:1(9Z)/20:3(5Z,8Z,11Z))",ZBJMDPMZJJILGD-BQYWGNFBSA-N
HMDB10639,798.54108526,C44H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,41-42,45-46H,3-10,12,14-16,20,23,25-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,21-18-,24-22-/t41-,42+/m0/s1",FNRQBIMYMKUNDB,IAJJUIBGSA,N,"PG(18:1(9Z)/20:3(8Z,11Z,14Z))",FNRQBIMYMKUNDB-IAJJUIBGSA-N
HMDB10640,796.525435196,C44H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,41-42,45-46H,3-10,12,14-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1",RSNKLQLBLVVDIF,XNUJTNQASA,N,"PG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",RSNKLQLBLVVDIF-XNUJTNQASA-N
HMDB10641,824.556735324,C46H81O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H81O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,43-44,47-48H,3-10,12,14-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b13-11-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1",YOHOWLRHMIRGCZ,ZIOANPSSSA,N,"PG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",YOHOWLRHMIRGCZ-ZIOANPSSSA-N
HMDB10642,822.54108526,C46H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,32,34,43-44,47-48H,3-10,12,14-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1",JKAAWGKTGRIKRC,PAOSANONSA,N,"PG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JKAAWGKTGRIKRC-PAOSANONSA-N
HMDB10643,822.54108526,C46H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,43-44,47-48H,3-4,6,8-10,12,14-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1",JAMPNNNOPHDTDM,JYKMCOCGSA,N,"PG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JAMPNNNOPHDTDM-JYKMCOCGSA-N
HMDB10644,820.525435196,C46H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,32,34,43-44,47-48H,3-4,6,8-10,12,14-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1",FZJRPYWBMGYDIA,JJTNLPPNSA,N,"PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FZJRPYWBMGYDIA-JJTNLPPNSA-N
HMDB10645,746.509785132,C40H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11-,18-17-/t37-,38+/m0/s1",IYKXCQWBMRYBPI,WLGRLVTESA,N,"PG(18:2(9Z,12Z)/16:0)",IYKXCQWBMRYBPI-WLGRLVTESA-N
HMDB10646,744.494135068,C40H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37-38,41-42H,3-10,12,15,19-36H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-/t37-,38+/m0/s1",SZOXZKIJYLNJHR,IEVJMAIKSA,N,"PG(18:2(9Z,12Z)/16:1(9Z))",SZOXZKIJYLNJHR-IEVJMAIKSA-N
HMDB10647,774.54108526,C42H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,39-40,43-44H,3-10,12,14-16,18,20-38H2,1-2H3,(H,47,48)/b13-11-,19-17-/t39-,40+/m0/s1",CZVJBYZXTBYGJR,XAODMQRJSA,N,"PG(18:2(9Z,12Z)/18:0)",CZVJBYZXTBYGJR-XAODMQRJSA-N
HMDB10648,772.525435196,C42H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,39-40,43-44H,3-10,12,15,18,20-38H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-/t39-,40+/m0/s1",ILTZKQRTHXYCKE,GZPSIAITSA,N,"PG(18:2(9Z,12Z)/18:1(11Z))",ILTZKQRTHXYCKE-GZPSIAITSA-N
HMDB10649,772.525435196,C42H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,39-40,43-44H,3-10,12,14-16,21-38H2,1-2H3,(H,47,48)/b13-11-,19-17-,20-18-/t39-,40+/m0/s1",KBDCFYFMQOAHAN,WUQMUQDBSA,N,"PG(18:2(9Z,12Z)/18:1(9Z))",KBDCFYFMQOAHAN-WUQMUQDBSA-N
HMDB10650,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,39-40,43-44H,3-10,15-16,21-38H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1",AKWGRDPPGYFWIW,IYYSTRLISA,N,"PG(18:2(9Z,12Z)/18:2(9Z,12Z))",AKWGRDPPGYFWIW-IYYSTRLISA-N
HMDB10651,768.494135068,C42H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,39-40,43-44H,3-10,15-16,21-23,25,27-38H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1",PMMMXQLSRSKYJN,MIIJJXBYSA,N,"PG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",PMMMXQLSRSKYJN-MIIJJXBYSA-N
HMDB10652,768.494135068,C42H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,39-40,43-44H,3-5,7,9-10,15-16,21-38H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1",VTAJEODPKJDTAS,LUEXABFISA,N,"PG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",VTAJEODPKJDTAS-LUEXABFISA-N
HMDB10653,796.525435196,C44H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24,28,30,41-42,45-46H,3-11,13,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1",XVBLIBBZFINETP,WUIGUQKRSA,N,"PG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",XVBLIBBZFINETP-WUIGUQKRSA-N
HMDB10654,796.525435196,C44H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,41-42,45-46H,3-10,15-16,20,23,25-40H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-/t41-,42+/m0/s1",FYJGEHHLYUAEHD,BLNJBFDNSA,N,"PG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))",FYJGEHHLYUAEHD-BLNJBFDNSA-N
HMDB10655,794.509785132,C44H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,28,30,41-42,45-46H,3-10,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1",MMWTVDJVEFZVRA,KJNUSYEHSA,N,"PG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",MMWTVDJVEFZVRA-KJNUSYEHSA-N
HMDB10656,822.54108526,C46H79O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,43-44,47-48H,3-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1",YXFXRFOOFHHCFZ,XLLSETQMSA,N,"PG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",YXFXRFOOFHHCFZ-XLLSETQMSA-N
HMDB10657,820.525435196,C46H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,32,34,43-44,47-48H,3-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1",YVYIXWADRITLPA,VNPFHBCQSA,N,"PG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YVYIXWADRITLPA-VNPFHBCQSA-N
HMDB10658,820.525435196,C46H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,43-44,47-48H,3-4,6,8-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1",LOQVZAVLOYOOSB,GQEJPCSQSA,N,"PG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LOQVZAVLOYOOSB-GQEJPCSQSA-N
HMDB10659,818.509785132,C46H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H75O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,32,34,43-44,47-48H,3-4,6,8-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1",GMXYXYLCBAOPHA,KNVYJNGISA,N,"PG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GMXYXYLCBAOPHA-KNVYJNGISA-N
HMDB10660,744.494135068,C40H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,37-38,41-42H,3-10,12,14-16,19-20,22,24-36H2,1-2H3,(H,45,46)/b13-11-,18-17-,23-21-/t37-,38+/m0/s1",HTKSHFXCKKXOLW,WJAPAJAMSA,N,"PG(18:3(6Z,9Z,12Z)/16:0)",HTKSHFXCKKXOLW-WJAPAJAMSA-N
HMDB10661,742.478485004,C40H71O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H71O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,21,23,37-38,41-42H,3-10,12,15,19-20,22,24-36H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,23-21-/t37-,38+/m0/s1",MCXSKQWYNRNLGF,GQPHTWMHSA,N,"PG(18:3(6Z,9Z,12Z)/16:1(9Z))",MCXSKQWYNRNLGF-GQPHTWMHSA-N
HMDB10662,772.525435196,C42H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,39-40,43-44H,3-10,12,14-16,18,20-22,24,26-38H2,1-2H3,(H,47,48)/b13-11-,19-17-,25-23-/t39-,40+/m0/s1",ZQADGDHEOYNPBN,VLJMGXKQSA,N,"PG(18:3(6Z,9Z,12Z)/18:0)",ZQADGDHEOYNPBN-VLJMGXKQSA-N
HMDB10663,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,39-40,43-44H,3-10,12,15,18,20-22,24,26-38H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-,25-23-/t39-,40+/m0/s1",PDVQNXBAJRBGOS,PCIHCSGPSA,N,"PG(18:3(6Z,9Z,12Z)/18:1(11Z))",PDVQNXBAJRBGOS-PCIHCSGPSA-N
HMDB10664,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,39-40,43-44H,3-10,12,14-16,21-22,24,26-38H2,1-2H3,(H,47,48)/b13-11-,19-17-,20-18-,25-23-/t39-,40+/m0/s1",ABTXGGZXXIHNDW,QLADQEJGSA,N,"PG(18:3(6Z,9Z,12Z)/18:1(9Z))",ABTXGGZXXIHNDW-QLADQEJGSA-N
HMDB10665,768.494135068,C42H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,39-40,43-44H,3-10,15-16,21-22,24,26-38H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,20-18-,25-23-/t39-,40+/m0/s1",BEDYBJZBZOMKHV,YTOJJJGQSA,N,"PG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",BEDYBJZBZOMKHV-YTOJJJGQSA-N
HMDB10666,766.478485004,C42H71O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,39-40,43-44H,3-10,15-16,21-22,27-38H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40+/m0/s1",CRMBDNVWTUGBMN,FQTJGYFUSA,N,"PG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",CRMBDNVWTUGBMN-FQTJGYFUSA-N
HMDB10667,766.478485004,C42H71O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23,25,39-40,43-44H,3-5,7,9-10,15-16,21-22,24,26-38H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t39-,40+/m0/s1",DNEIBWIGGRQBMO,RYYNODHJSA,N,"PG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",DNEIBWIGGRQBMO-RYYNODHJSA-N
HMDB10668,794.509785132,C44H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24-25,27-28,30,41-42,45-46H,3-11,13,15-16,20,23,26,29,31-40H2,1-2H3,(H,49,50)/b14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-,42+/m0/s1",BPWRRMJSZUWBTG,HPSNECGISA,N,"PG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",BPWRRMJSZUWBTG-HPSNECGISA-N
HMDB10669,794.509785132,C44H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27,41-42,45-46H,3-10,15-16,20,23,26,28-40H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t41-,42+/m0/s1",PGUFYFFTFKQUSX,FHUCRLRLSA,N,"PG(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))",PGUFYFFTFKQUSX-FHUCRLRLSA-N
HMDB10670,792.494135068,C44H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H73O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27-28,30,41-42,45-46H,3-10,15-16,20,23,26,29,31-40H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-,42+/m0/s1",CJRKBEYZSOZNID,PSTRKZFMSA,N,"PG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",CJRKBEYZSOZNID-PSTRKZFMSA-N
HMDB10671,820.525435196,C46H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,43-44,47-48H,3-10,15-16,20,24-25,30-42H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-,44+/m0/s1",FCDCKTDFYQEOAD,YQPREKOFSA,N,"PG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",FCDCKTDFYQEOAD-YQPREKOFSA-N
HMDB10672,818.509785132,C46H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H75O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,32,34,43-44,47-48H,3-10,15-16,20,24-25,30-31,33,35-42H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-,44+/m0/s1",KURBGZBTPRBCFQ,MYMQDKSKSA,N,"PG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KURBGZBTPRBCFQ-MYMQDKSKSA-N
HMDB10673,818.509785132,C46H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H75O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,43-44,47-48H,3-4,6,8-10,15-16,20,24-25,30-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-,44+/m0/s1",LZKNNXNSADUVEW,CIPNFRRBSA,N,"PG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LZKNNXNSADUVEW-CIPNFRRBSA-N
HMDB10674,816.494135068,C46H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H73O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,32,34,43-44,47-48H,3-4,6,8-10,15-16,20,24-25,30-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-,44+/m0/s1",WUYCEAZLRPFDAU,LUUFVBKHSA,N,"PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WUYCEAZLRPFDAU-LUUFVBKHSA-N
HMDB10675,744.494135068,C40H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37-38,41-42H,3-4,6,8-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-/t37-,38+/m0/s1",LZCSTAJDQULBAS,FTZNWAQRSA,N,"PG(18:3(9Z,12Z,15Z)/16:0)",LZCSTAJDQULBAS-FTZNWAQRSA-N
HMDB10676,742.478485004,C40H71O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H71O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,37-38,41-42H,3-4,6,8-10,12,15,19-36H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-/t37-,38+/m0/s1",BTZOBOVIQXYFAR,NJXCWUJZSA,N,"PG(18:3(9Z,12Z,15Z)/16:1(9Z))",BTZOBOVIQXYFAR-NJXCWUJZSA-N
HMDB10677,772.525435196,C42H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,39-40,43-44H,3-4,6,8-10,12,14-16,18,20-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-/t39-,40+/m0/s1",VMDKDWGHMZQSLV,ZOIXFCGWSA,N,"PG(18:3(9Z,12Z,15Z)/18:0)",VMDKDWGHMZQSLV-ZOIXFCGWSA-N
HMDB10678,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,39-40,43-44H,3-4,6,8-10,12,15,18,20-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,19-17-/t39-,40+/m0/s1",UVTOMLLPZLIQLX,NHQSCMECSA,N,"PG(18:3(9Z,12Z,15Z)/18:1(11Z))",UVTOMLLPZLIQLX-NHQSCMECSA-N
HMDB10679,770.509785132,C42H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,39-40,43-44H,3-4,6,8-10,12,14-16,21-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,20-18-/t39-,40+/m0/s1",JOAKZDPNBIREMY,ZKYOWWIASA,N,"PG(18:3(9Z,12Z,15Z)/18:1(9Z))",JOAKZDPNBIREMY-ZKYOWWIASA-N
HMDB10680,768.494135068,C42H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,39-40,43-44H,3-4,6,8-10,15-16,21-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1",XAUQEXCGLQPOMJ,MLMWWJLQSA,N,"PG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",XAUQEXCGLQPOMJ-MLMWWJLQSA-N
HMDB10681,766.478485004,C42H71O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,24,26,39-40,43-44H,3-4,6,8-10,15-16,21-23,25,27-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1",NRMAAXFTMGOMBX,ZRQQEKEJSA,N,"PG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",NRMAAXFTMGOMBX-ZRQQEKEJSA-N
HMDB10682,766.478485004,C42H71O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39-40,43-44H,3-4,9-10,15-16,21-38H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1",MPTSWFXLMIATGU,BIECOUIGSA,N,"PG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",MPTSWFXLMIATGU-BIECOUIGSA-N
HMDB10683,794.509785132,C44H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24,28,30,41-42,45-46H,3-5,7,9-11,13,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1",CVJUNXRDLROORG,ALASHDNDSA,N,"PG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",CVJUNXRDLROORG-ALASHDNDSA-N
HMDB10684,794.509785132,C44H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,41-42,45-46H,3-5,7,9-10,15-16,20,23,25-40H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t41-,42+/m0/s1",JSMMFPYLXREROD,BSHSJOOASA,N,"PG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))",JSMMFPYLXREROD-BSHSJOOASA-N
HMDB10685,792.494135068,C44H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H73O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,41-42,45-46H,3-5,7,9-10,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1",IKWXYRYXPYLGDI,VVJMSEJKSA,N,"PG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",IKWXYRYXPYLGDI-VVJMSEJKSA-N
HMDB10686,820.525435196,C46H77O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,43-44,47-48H,3-5,7,9-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1",ZACXWNLBOWEKJK,YDYSYWMXSA,N,"PG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",ZACXWNLBOWEKJK-YDYSYWMXSA-N
HMDB10687,818.509785132,C46H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H75O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,32,34,43-44,47-48H,3-5,7,9-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1",VIOWOHCJGLIEBH,TVFHYZSLSA,N,"PG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VIOWOHCJGLIEBH-TVFHYZSLSA-N
HMDB10688,818.509785132,C46H75O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H75O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,43-44,47-48H,3-4,9-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1",UNQOLDUQLHMVPJ,VBIBJVFYSA,N,"PG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UNQOLDUQLHMVPJ-VBIBJVFYSA-N
HMDB10689,816.494135068,C46H73O10P,[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H73O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,43-44,47-48H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1",CXLZYQKWZLBZEB,JRJQDFDNSA,N,"PG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CXLZYQKWZLBZEB-JRJQDFDNSA-N
HMDB10690,1457.034826398,C81H150O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OCC(O)([H])COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,75-77,82H,5-24,33-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,32-28-/t76-,77-/m1/s1",HSSSADMXQPKIEB,ZYVWMDQZSA,N,CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:1(11Z)),HSSSADMXQPKIEB-ZYVWMDQZSA-N
HMDB10691,1457.034827366,C81H150O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33-40,75-77,82H,5-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,38-34-,39-35-,40-36-/t76-,77-/m1/s1",TWHQNHQPSCPQNY,WVRHUKEESA,N,CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:1(9Z)),TWHQNHQPSCPQNY-WVRHUKEESA-N
HMDB10692,1448.972226142,C81H142O17P2,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCC(O)([H])COP(=O)(O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,75-77,82H,5-20,29-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-/t76-,77-/m1/s1",LSHJMDWWJIYXEM,XGJIDDIWSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",LSHJMDWWJIYXEM-XGJIDDIWSA-N
HMDB10693,1472.972226142,C83H142O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21,23,25,27-28,32-37,40-42,45-46,52,54,56,58,77-79,84H,5-20,22,24,26,29-31,38-39,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,27-23-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-,58-54-/t77-,78-,79-/m1/s1",YJNNOEIPJAYOBT,XKIQSGGWSA,N,"CL(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/16:1(9Z))",YJNNOEIPJAYOBT-XKIQSGGWSA-N
HMDB10694,1472.972226142,C83H142O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-37,40-42,45-46,52,56,77-79,84H,5-20,24,29-31,38-39,43-44,47-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-/t77-,78-,79-/m1/s1",DIARJYRNRUJHPN,TXXGTELPSA,N,"CL(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/16:1(9Z))",DIARJYRNRUJHPN-TXXGTELPSA-N
HMDB10695,1472.972226142,C83H142O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h9,13,21,23,25,27-28,32-37,40-42,45-46,54,58,77-79,84H,5-8,10-12,14-20,22,24,26,29-31,38-39,43-44,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,27-23-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-,58-54-/t77-,78-,79-/m1/s1",NHLLXZNSQVSIFB,CDCIHGCZSA,N,"CL(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/16:1(9Z))",NHLLXZNSQVSIFB-CDCIHGCZSA-N
HMDB10696,1472.972226142,C83H142O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-37,40-42,45-46,77-79,84H,5-8,10-12,14-20,24,29-31,38-39,43-44,47-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-/t77-,78-,79-/m1/s1",QUYNDBUZHKTFHR,SCLXOPDZSA,N,"CL(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/16:1(9Z))",QUYNDBUZHKTFHR-SCLXOPDZSA-N
HMDB10697,555.522659701,C34H69NO4,[H][C@@](O)(C(O)CCCCCCCCCCCCCC)[C@]([H])(CO)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)35-31(30-36)34(39)32(37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34,36-37,39H,3-30H2,1-2H3,(H,35,38)/t31-,32?,34-/m0/s1",IVBULNXGVIHEKN,AUOMWKRBSA,N,Cer(t18:0/16:0),IVBULNXGVIHEKN-AUOMWKRBSA-N
HMDB10698,619.494075489,C34H70NO6P,[H][C@@](O)(CCCCCCCCCCCCCCC)[C@]([H])(COP(O)(O)=O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C34H70NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36H,3-31H2,1-2H3,(H,35,37)(H2,38,39,40)/t32-,33+/m0/s1",ILHPMPAVRAZOJB,JHOUSYSJSA,N,CerP(d18:0/16:0),ILHPMPAVRAZOJB-JHOUSYSJSA-N
HMDB10699,561.415825169,C30H60NO6P,CCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCC,"InChI=1S/C30H60NO6P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)28(27-37-38(34,35)36)31-30(33)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32H,3-22,24,26-27H2,1-2H3,(H,31,33)(H2,34,35,36)/b25-23+/t28-,29+/m0/s1",KXEMZGPJXBKYJP,VARSQMIESA,N,CerP(d18:1/12:0),KXEMZGPJXBKYJP-VARSQMIESA-N
HMDB10700,617.478425425,C34H68NO6P,CCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C34H68NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36H,3-26,28,30-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b29-27+/t32-,33+/m0/s1",UNRULDRRONAKLU,TURZORIXSA,N,CerP(d18:1/16:0),UNRULDRRONAKLU-TURZORIXSA-N
HMDB10701,645.509725553,C36H72NO6P,CCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C36H72NO6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(39)37-34(33-43-44(40,41)42)35(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38H,3-28,30,32-33H2,1-2H3,(H,37,39)(H2,40,41,42)/b31-29+/t34-,35+/m0/s1",ZQQLMECVOXKFJK,NXCSZAMKSA,N,CerP(d18:1/18:0),ZQQLMECVOXKFJK-NXCSZAMKSA-N
HMDB10702,673.541025681,C38H76NO6P,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C38H76NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(41)39-36(35-45-46(42,43)44)37(40)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,36-37,40H,3-30,32,34-35H2,1-2H3,(H,39,41)(H2,42,43,44)/b33-31+/t36-,37+/m0/s1",QDXTYNOQCQVNET,NUKVNZTCSA,N,CerP(d18:1/20:0),QDXTYNOQCQVNET-NUKVNZTCSA-N
HMDB10703,701.572325809,C40H80NO6P,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C40H80NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(43)41-38(37-47-48(44,45)46)39(42)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42H,3-32,34,36-37H2,1-2H3,(H,41,43)(H2,44,45,46)/b35-33+/t38-,39+/m0/s1",ZRTZYMMYLZPKEQ,GLQCRSEXSA,N,CerP(d18:1/22:0),ZRTZYMMYLZPKEQ-GLQCRSEXSA-N
HMDB10704,729.603625937,C42H84NO6P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C42H84NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(45)43-40(39-49-50(46,47)48)41(44)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44H,3-34,36,38-39H2,1-2H3,(H,43,45)(H2,46,47,48)/b37-35+/t40-,41+/m0/s1",SEEJZRCEDNOVGA,AUTSUKAISA,N,CerP(d18:1/24:0),SEEJZRCEDNOVGA-AUTSUKAISA-N
HMDB10705,727.587975873,C42H82NO6P,CCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H82NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(45)43-40(39-49-50(46,47)48)41(44)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44H,3-16,19-34,36,38-39H2,1-2H3,(H,43,45)(H2,46,47,48)/b18-17-,37-35+/t40-,41+/m0/s1",RURFWJXZZZCIOZ,KPEYJIHVSA,N,CerP(d18:1/24:1(15Z)),RURFWJXZZZCIOZ-KPEYJIHVSA-N
HMDB10706,757.634926065,C44H88NO6P,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C44H88NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(47)45-42(41-51-52(48,49)50)43(46)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h37,39,42-43,46H,3-36,38,40-41H2,1-2H3,(H,45,47)(H2,48,49,50)/b39-37+/t42-,43+/m0/s1",APJQQWPKXQLDRV,GVOPMEMSSA,N,CerP(d18:1/26:0),APJQQWPKXQLDRV-GVOPMEMSSA-N
HMDB10707,783.650576129,C46H90NO6P,CCCCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C46H90NO6P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-46(49)47-44(43-53-54(50,51)52)45(48)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h17,19,39,41,44-45,48H,3-16,18,20-38,40,42-43H2,1-2H3,(H,47,49)(H2,50,51,52)/b19-17-,41-39+/t44-,45+/m0/s1",GYHZLVGNXJLGPV,PLQASZCNSA,N,CerP(d18:1/26:1(17Z)),GYHZLVGNXJLGPV-PLQASZCNSA-N
HMDB10708,699.564918445,C40H77NO8,CCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,"InChI=1S/C40H77NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-47H,3-26,28,30-32H2,1-2H3,(H,41,44)/b29-27-/t33?,34?,35-,37+,38+,39-,40-/m1/s1",VJLLLMIZEJJZTE,DQVPDRNHSA,N,Galactosylceramide (d18:1/16:0),VJLLLMIZEJJZTE-DQVPDRNHSA-N
HMDB10709,727.596218573,C42H81NO8,CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,"InChI=1S/C42H81NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,35-37,39-42,44-45,47-49H,3-28,30,32-34H2,1-2H3,(H,43,46)/b31-29-/t35?,36?,37-,39+,40+,41-,42-/m1/s1",YMYQEDCYNANIPI,JAZRPXJTSA,N,Galactosylceramide (d18:1/18:0),YMYQEDCYNANIPI-JAZRPXJTSA-N
HMDB10710,755.627518701,C44H85NO8,CCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,"InChI=1S/C44H85NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,37-39,41-44,46-47,49-51H,3-30,32,34-36H2,1-2H3,(H,45,48)/b33-31-/t37?,38?,39-,41+,42+,43-,44-/m1/s1",DFELABABMXOKTD,RBULGSFCSA,N,Galactosylceramide (d18:1/20:0),DFELABABMXOKTD-RBULGSFCSA-N
HMDB10711,783.658818829,C46H89NO8,CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,"InChI=1S/C46H89NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,39-41,43-46,48-49,51-53H,3-32,34,36-38H2,1-2H3,(H,47,50)/b35-33-/t39?,40?,41-,43+,44+,45-,46-/m1/s1",YIGARKIIFOHVPF,UEJODPTRSA,N,Galactosylceramide (d18:1/22:0),YIGARKIIFOHVPF-UEJODPTRSA-N
HMDB10712,809.674468893,C48H91NO8,CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,41-43,45-48,50-51,53-55H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)/b18-17-,37-35-/t41?,42?,43-,45+,46+,47-,48-/m1/s1",WBOZIXHPUPAOIA,DFJDAMKWSA,N,Galactosylceramide (d18:1/24:1(15Z)),WBOZIXHPUPAOIA-DFJDAMKWSA-N
HMDB10713,837.705769021,C50H95NO8,CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C50H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,37,39,43-45,47-50,52-53,55-57H,3-16,19-36,38,40-42H2,1-2H3,(H,51,54)/b18-17-,39-37-/t43?,44?,45-,47+,48+,49-,50-/m1/s1",LVROXDRMMJVBGH,WRDHKATFSA,N,Galactosylceramide (d18:1/26:1(17Z)),LVROXDRMMJVBGH-WRDHKATFSA-N
HMDB10714,725.580568509,C42H79NO8,CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17-,31-29-/t35?,36?,37-,39+,40+,41-,42-/m1/s1",MVGFIPNJBNBHNC,XJPHKABUSA,N,Galactosylceramide (d18:1/18:1(9Z)),MVGFIPNJBNBHNC-XJPHKABUSA-N
HMDB10715,135.068413915,C8H9NO,NC(=O)CC1=CC=CC=C1,"InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)",LSBDFXRDZJMBSC,UHFFFAOYSA,N,2-Phenylacetamide,LSBDFXRDZJMBSC-UHFFFAOYSA-N
HMDB10716,312.02244346,C9H16N2O5Se,C[Se]CC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C9H16N2O5Se/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)",IEFQLTYCECVOLL,UHFFFAOYSA,N,Gamma-Glutamyl-Se-methylselenocysteine,IEFQLTYCECVOLL-UHFFFAOYSA-N
HMDB10717,130.062994186,C6H10O3,CCCC(=O)CC(O)=O,"InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)",BDCLDNALSPBWPQ,UHFFFAOYSA,N,3-Oxohexanoic acid,BDCLDNALSPBWPQ-UHFFFAOYSA-N
HMDB10718,132.07864425,C6H12O3,[H][C@@](O)(CCC)CC(O)=O,"InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1",HPMGFDVTYHWBAG,RXMQYKEDSA,N,(R)-3-Hydroxyhexanoic acid,HPMGFDVTYHWBAG-RXMQYKEDSA-N
HMDB10719,114.068079564,C6H10O2,CCC\C=C\C(O)=O,"InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+",NIONDZDPPYHYKY,SNAWJCMRSA,N,trans-Hex-2-enoic acid,NIONDZDPPYHYKY-SNAWJCMRSA-N
HMDB10720,86.036779436,C4H6O2,C\C=C\C(O)=O,"InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+",LDHQCZJRKDOVOX,NSCUHMNNSA,N,But-2-enoic acid,LDHQCZJRKDOVOX-NSCUHMNNSA-N
HMDB10721,158.094294314,C8H14O3,CCCCCC(=O)CC(O)=O,"InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)",FWNRRWJFOZIGQZ,UHFFFAOYSA,N,3-Oxooctanoic acid,FWNRRWJFOZIGQZ-UHFFFAOYSA-N
HMDB10722,160.109944378,C8H16O3,[H][C@@](O)(CCCCC)CC(O)=O,"InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1",NDPLAKGOSZHTPH,SSDOTTSWSA,N,(R)-3-Hydroxyoctanoic acid,NDPLAKGOSZHTPH-SSDOTTSWSA-N
HMDB10724,186.125594442,C10H18O3,CCCCCCCC(=O)CC(O)=O,"InChI=1S/C10H18O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h2-8H2,1H3,(H,12,13)",YXTHWTPUTHTODU,UHFFFAOYSA,N,3-Oxodecanoic acid,YXTHWTPUTHTODU-UHFFFAOYSA-N
HMDB10725,188.141244506,C10H20O3,[H][C@@](O)(CCCCCCC)CC(O)=O,"InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m1/s1",FYSSBMZUBSBFJL,SECBINFHSA,N,(R)-3-Hydroxydecanoic acid,FYSSBMZUBSBFJL-SECBINFHSA-N
HMDB10726,170.13067982,C10H18O2,CCCCCCC\C=C\C(O)=O,"InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+",WXBXVVIUZANZAU,CMDGGOBGSA,N,trans-Dec-2-enoic acid,WXBXVVIUZANZAU-CMDGGOBGSA-N
HMDB10727,214.15689457,C12H22O3,CCCCCCCCCC(=O)CC(O)=O,"InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)",DZHSPYMHDVROSM,UHFFFAOYSA,N,3-Oxododecanoic acid,DZHSPYMHDVROSM-UHFFFAOYSA-N
HMDB10728,216.172544634,C12H24O3,[H][C@@](O)(CCCCCCCCC)CC(O)=O,"InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1",MUCMKTPAZLSKTL,LLVKDONJSA,N,(R)-3-Hydroxydodecanoic acid,MUCMKTPAZLSKTL-LLVKDONJSA-N
HMDB10729,198.161979948,C12H22O2,CCCCCCCCC\C=C\C(O)=O,"InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+",PAWGRNGPMLVJQH,ZHACJKMWSA,N,trans-Dodec-2-enoic acid,PAWGRNGPMLVJQH-ZHACJKMWSA-N
HMDB10730,242.188194698,C14H26O3,CCCCCCCCCCCC(=O)CC(O)=O,"InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)",XLKOZYOVXNPWGT,UHFFFAOYSA,N,3-Oxotetradecanoic acid,XLKOZYOVXNPWGT-UHFFFAOYSA-N
HMDB10731,244.203844762,C14H28O3,[H][C@@](O)(CCCCCCCCCCC)CC(O)=O,"InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1",ATRNZOYKSNPPBF,CYBMUJFWSA,N,(R)-3-Hydroxy-tetradecanoic acid,ATRNZOYKSNPPBF-CYBMUJFWSA-N
HMDB10732,226.193280076,C14H26O2,CCCCCCCCCCC\C=C\C(O)=O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)/b13-12+",IBYFOBGPNPINBU,OUKQBFOZSA,N,trans-Tetra-dec-2-enoic acid,IBYFOBGPNPINBU-OUKQBFOZSA-N
HMDB10733,270.219494826,C16H30O3,CCCCCCCCCCCCCC(=O)CC(O)=O,"InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h2-14H2,1H3,(H,18,19)",ASICPMTWQSESKX,UHFFFAOYSA,N,3-Oxohexadecanoic acid,ASICPMTWQSESKX-UHFFFAOYSA-N
HMDB10734,272.23514489,C16H32O3,[H][C@@](O)(CCCCCCCCCCCCC)CC(O)=O,"InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m1/s1",CBWALJHXHCJYTE,OAHLLOKOSA,N,(R)-3-Hydroxy-hexadecanoic acid,CBWALJHXHCJYTE-OAHLLOKOSA-N
HMDB10735,254.224580204,C16H30O2,CCCCCCCCCCCCC\C=C\C(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+",ZVRMGCSSSYZGSM,CCEZHUSRSA,N,Trans-Hexa-dec-2-enoic acid,ZVRMGCSSSYZGSM-CCEZHUSRSA-N
HMDB10736,298.250794954,C18H34O3,CCCCCCCCCCCCCCCC(=O)CC(O)=O,"InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h2-16H2,1H3,(H,20,21)",YQGGUZWHNVQJMF,UHFFFAOYSA,N,3-Oxooctadecanoic acid,YQGGUZWHNVQJMF-UHFFFAOYSA-N
HMDB10737,300.266445018,C18H36O3,[H][C@@](O)(CCCCCCCCCCCCCCC)CC(O)=O,"InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1",POMQYTSPMKEQNB,QGZVFWFLSA,N,(R)-3-Hydroxy-Octadecanoic acid,POMQYTSPMKEQNB-QGZVFWFLSA-N
HMDB10738,166.049075456,C6H6N4O2,CN1C(=O)NC2=C(NC=N2)C1=O,"InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)",MVOYJPOZRLFTCP,UHFFFAOYSA,N,1-Methylxanthine,MVOYJPOZRLFTCP-UHFFFAOYSA-N
HMDB11103,196.059640142,C7H8N4O3,CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2,"InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)",NOFNCLGCUJJPKU,UHFFFAOYSA,N,"1,7-Dimethyluric acid",NOFNCLGCUJJPKU-UHFFFAOYSA-N
HMDB11104,554.930680443,C10H15N5O13P2Se,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C10H15N5O13P2Se/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1",AZRLZPIFEZUZLW,KQYNXXCUSA,N,3-Phosphoadenylylselenate,AZRLZPIFEZUZLW-KQYNXXCUSA-N
HMDB11105,226.070204828,C8H10N4O4,CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O,"InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)",RDZNZFGKEVDNPK,UHFFFAOYSA,N,5-Acetylamino-6-formylamino-3-methyluracil,RDZNZFGKEVDNPK-UHFFFAOYSA-N
HMDB11106,276.106984264,C9H16N4O6,NC1=C(NCC(O)C(O)C(O)CO)NC(=O)NC1=O,"InChI=1S/C9H16N4O6/c10-5-7(12-9(19)13-8(5)18)11-1-3(15)6(17)4(16)2-14/h3-4,6,14-17H,1-2,10H2,(H3,11,12,13,18,19)",XKQZIXVJVUPORE,UHFFFAOYSA,N,5-Amino-6-ribitylamino uracil,XKQZIXVJVUPORE-UHFFFAOYSA-N
HMDB11107,182.043990078,C6H6N4O3,CN1C(=O)NC2=C1C(=O)NC(=O)N2,"InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)",YHNNPKUFPWLTOP,UHFFFAOYSA,N,7-Methyluric acid,YHNNPKUFPWLTOP-UHFFFAOYSA-N
HMDB11108,294.219494826,C18H30O3,CC(O)\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,13,15,17,19H,4-6,8,10-12,14,16H2,1H3,(H,20,21)/b3-2-,9-7-,15-13-",PSQSSLVXOIJSMX,XAFOFORCSA,N,17-Hydroxylinolenic acid,PSQSSLVXOIJSMX-XAFOFORCSA-N
HMDB11110,81.932171892,H2Se,[SeH2],InChI=1S/H2Se/h1H2,SPVXKVOXSXTJOY,UHFFFAOYSA,N,Hydrogen selenide,SPVXKVOXSXTJOY-UHFFFAOYSA-N
HMDB11111,88.016043994,C3H4O3,OC(=O)CC=O,"InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)",OAKURXIZZOAYBC,UHFFFAOYSA,N,Malonic semialdehyde,OAKURXIZZOAYBC-UHFFFAOYSA-N
HMDB11112,278.126657074,C14H18N2O4,CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](CO)C(O)C1O,"InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3/t11-,12?,13?,14+/m1/s1",HLRUKOJSWOKCPP,RYSNWHEDSA,N,"N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole",HLRUKOJSWOKCPP-RYSNWHEDSA-N
HMDB11113,987.261538249,C35H56N7O18P3S,CC\C=C/C[C@@H]1C(=O)CCC1CCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C35H56N7O18P3S/c1-4-5-6-9-22-21(11-12-23(22)43)8-7-10-26(45)64-16-15-37-25(44)13-14-38-33(48)30(47)35(2,3)18-57-63(54,55)60-62(52,53)56-17-24-29(59-61(49,50)51)28(46)34(58-24)42-20-41-27-31(36)39-19-40-32(27)42/h5-6,19-22,24,28-30,34,46-47H,4,7-18H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b6-5-/t21?,22-,24+,28?,29-,30-,34+/m0/s1",YYUZYSVPFVOYLB,UQUDIQHQSA,N,OPC4-CoA,YYUZYSVPFVOYLB-UQUDIQHQSA-N
HMDB11114,1015.292838377,C37H60N7O18P3S,CC\C=C/C[C@@H]1C(=O)CCC1CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C37H60N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,21-24,26,30-32,36,48-49H,4,6,8-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-/t23?,24-,26+,30?,31-,32-,36+/m0/s1",VWFUYQVGVAEVNH,ZAPFENOOSA,N,OPC6-CoA,VWFUYQVGVAEVNH-ZAPFENOOSA-N
HMDB11115,1043.324138505,C39H64N7O18P3S,CC\C=C/C[C@@H]1C(=O)CCC1CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H64N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,23-26,28,32-34,38,50-51H,4,6-8,10-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b9-5-/t25?,26-,28+,32?,33-,34-,38+/m0/s1",JZIQDJLBFKTBAK,BYGLJXPTSA,N,OPC8-CoA,JZIQDJLBFKTBAK-BYGLJXPTSA-N
HMDB11116,456.240576722,C20H42O7P2,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\COP(O)(=O)OP(O)(O)=O,"InChI=1S/C20H42O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+",ITPLBNCCPZSWEU,HMMYKYKNSA,N,Phytyl diphosphate,ITPLBNCCPZSWEU-HMMYKYKNSA-N
HMDB11117,432.066039608,C14H20N6O5Se,NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O,"InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6?,7-,9-,10-,13+/m1/s1",UVSMMLABJBJNGH,WWJIDFMMSA,N,Se-Adenosylselenohomocysteine,UVSMMLABJBJNGH-WWJIDFMMSA-N
HMDB11118,447.089514704,C15H23N6O5Se,C[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1",GGJFWMOVUFBSIN,YDBXVIPQSA,O,Se-Adenosylselenomethionine,GGJFWMOVUFBSIN-YDBXVIPQSA-O
HMDB11119,127.901265694,O3Se,[O-][Se]([O-])=O,"InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2",MCAHWIHFGHIESP,UHFFFAOYSA,L,Selenite,MCAHWIHFGHIESP-UHFFFAOYSA-L
HMDB11120,985.245888185,C35H54N7O18P3S,CC\C=C/C[C@@H]1C(=O)CCC1C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C35H54N7O18P3S/c1-4-5-6-9-22-21(11-12-23(22)43)8-7-10-26(45)64-16-15-37-25(44)13-14-38-33(48)30(47)35(2,3)18-57-63(54,55)60-62(52,53)56-17-24-29(59-61(49,50)51)28(46)34(58-24)42-20-41-27-31(36)39-19-40-32(27)42/h5-7,10,19-22,24,28-30,34,46-47H,4,8-9,11-18H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b6-5-,10-7+/t21?,22-,24+,28?,29-,30-,34+/m0/s1",QSAQFDYWYNLXEC,XIFSABRGSA,N,trans-2-Enoyl-OPC4-CoA,QSAQFDYWYNLXEC-XIFSABRGSA-N
HMDB11121,1013.277188313,C37H58N7O18P3S,CC\C=C/C[C@@H]1C(=O)CCC1CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C37H58N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,9,12,21-24,26,30-32,36,48-49H,4,6,8,10-11,13-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-,12-9+/t23?,24-,26+,30?,31-,32-,36+/m0/s1",IEENEQSEOWXDQK,CFJMVVCHSA,N,trans-2-Enoyl-OPC6-CoA,IEENEQSEOWXDQK-CFJMVVCHSA-N
HMDB11122,1041.308488441,C39H62N7O18P3S,CC\C=C/C[C@@H]1C(=O)CCC1CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H62N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,11,14,23-26,28,32-34,38,50-51H,4,6-8,10,12-13,15-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b9-5-,14-11+/t25?,26-,28+,32?,33-,34-,38+/m0/s1",WDBPMRZYBZCIQE,GQHYLMBESA,N,trans-2-Enoyl-OPC8-CoA,WDBPMRZYBZCIQE-GQHYLMBESA-N
HMDB11123,945.250973563,C33H54N7O17P3S,CCCCCC\C=C/C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-10,12-13,20-22,26-28,32,43-44H,4-8,11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b10-9-,13-12+/t22-,26?,27+,28+,32-/m1/s1",ZSJRXHRCABOSNC,XRUZZFSQSA,N,"trans,cis-Lauro-2,6-dienoyl-CoA",ZSJRXHRCABOSNC-XRUZZFSQSA-N
HMDB11127,936.581022018,C51H84O15,[H][C@](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)[C@H](O)C(O)C1O)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46?,47?,48?,49?,50-,51-/m1/s1",KDYAPQVYJXUQNY,JTADZIJASA,N,"1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(Galactosyl-alpha-1-6-Galactosyl-beta-1)-glycerol",KDYAPQVYJXUQNY-JTADZIJASA-N
HMDB11128,523.363789599,C26H54NO7P,[H][C@@](CO)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",IQGPMZRCLCCXAG,RUZDIDTESA,N,LysoPC(0:0/18:0),IQGPMZRCLCCXAG-RUZDIDTESA-N
HMDB11129,481.316839407,C23H48NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1",KIHAGWUUUHJRMS,JOCHJYFZSA,N,LysoPE(0:0/18:0),KIHAGWUUUHJRMS-JOCHJYFZSA-N
HMDB11130,481.316839407,C23H48NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1",BBYWOYAFBUOUFP,JOCHJYFZSA,N,LysoPE(18:0/0:0),BBYWOYAFBUOUFP-JOCHJYFZSA-N
HMDB11131,358.308309832,C21H42O4,[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1",VBICKXHEKHSIBG,FQEVSTJZSA,N,MG(18:0/0:0/0:0),VBICKXHEKHSIBG-FQEVSTJZSA-N
HMDB11132,948.674922402,C51H96O15,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1OC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C51H96O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h39-41,44-52,55-60H,3-38H2,1-2H3/t39-,40-,41?,44-,45-,46+,47+,48-,49-,50-,51-/m1/s1",LDQFLSUQYHBXSX,HPPMYKKZSA,N,"1,2-Dioctadecanoyl-3-(galactosyl-B-1-6-galactosyl-B-1)-glycerol",LDQFLSUQYHBXSX-HPPMYKKZSA-N
HMDB11133,436.258990178,C21H41O7P,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(O)(O)=O,"InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h2-19H2,1H3,(H2,24,25,26)",GTPATKZCXDKGQS,UHFFFAOYSA,N,DHAP(18:0),GTPATKZCXDKGQS-UHFFFAOYSA-N
HMDB11134,320.23514489,C20H32O3,CCCCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1",KGIJOOYOSFUGPC,JGKLHWIESA,N,5-HETE,KGIJOOYOSFUGPC-JGKLHWIESA-N
HMDB11135,336.230059512,C20H32O4,CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCCC(O)=O)OO,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+",JNUUNUQHXIOFDA,XTDASVJISA,N,5-HPETE,JNUUNUQHXIOFDA-XTDASVJISA-N
HMDB11136,320.23514489,C20H32O3,C[C@H](O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-/t19-/m0/s1",XFUXZHQUWPFWPR,DZBJBCEBSA,N,19(S)-HETE,XFUXZHQUWPFWPR-DZBJBCEBSA-N
HMDB11137,354.240624198,C20H34O5,CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)CC(O)C1C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16?,17+,18?,19-/m0/s1",PXGPLTODNUVGFL,BTJIPTOOSA,N,11-Epi-PGF2a,PXGPLTODNUVGFL-BTJIPTOOSA-N
HMDB11140,233.173941617,C10H23N3O3,NCC[C@H](O)CNCCCC[C@H](N)C(O)=O,"InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1",BZUIJMCJNWUGKQ,IUCAKERBSA,N,Hypusine,BZUIJMCJNWUGKQ-IUCAKERBSA-N
HMDB11142,422.27972562,C21H43O6P,CCCCCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O,"InChI=1S/C21H43O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h2-20H2,1H3,(H2,23,24,25)",DSLZSTBYLRGPIK,UHFFFAOYSA,N,DHAP(18:0e),DSLZSTBYLRGPIK-UHFFFAOYSA-N
HMDB11143,344.329045274,C21H44O3,[H][C@](O)(CO)COCCCCCCCCCCCCCCCCCC,"InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/t21-/m0/s1",OGBUMNBNEWYMNJ,NRFANRHFSA,N,MG(18:0e/0:0/0:0),OGBUMNBNEWYMNJ-NRFANRHFSA-N
HMDB11144,424.295375684,C21H45O6P,[H][C@@](O)(COCCCCCCCCCCCCCCCCCC)COP(O)(O)=O,"InChI=1S/C21H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h21-22H,2-20H2,1H3,(H2,23,24,25)/t21-/m1/s1",HUUYDUFSUADEJQ,OAQYLSRUSA,N,LPA(18:0e/0:0),HUUYDUFSUADEJQ-OAQYLSRUSA-N
HMDB11145,662.525041753,C37H75O7P,[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C37H75O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36H,3-35H2,1-2H3,(H2,39,40,41)/t36-/m1/s1",BIMPCBJDAYKNLD,PSXMRANNSA,N,PA(16:0e/18:0),BIMPCBJDAYKNLD-PSXMRANNSA-N
HMDB11146,582.558710856,C37H74O4,[H][C@](CO)(COCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C37H74O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(39)41-36(34-38)35-40-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36,38H,3-35H2,1-2H3/t36-/m0/s1",ALBMTLREXAADKV,BHVANESWSA,N,DG(16:0e/18:0/0:0),ALBMTLREXAADKV-BHVANESWSA-N
HMDB11147,386.33960996,C23H46O4,[H][C@](CO)(COCCCCCCCCCCCCCCCCCC)OC(C)=O,"InChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-23(20-24)27-22(2)25/h23-24H,3-21H2,1-2H3/t23-/m0/s1",HUQABGDIJUXLRG,QHCPKHFHSA,N,DG(18:0e/2:0/0:0),HUQABGDIJUXLRG-QHCPKHFHSA-N
HMDB11148,549.379439663,C28H56NO7P,CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O,"InChI=1S/C28H56NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-28(36-27(2)30)26-35-37(31,32)34-24-22-29(3,4)5/h13-14,28H,6-12,15-26H2,1-5H3/b14-13-/t28-/m1/s1",ZBOQHUSCQCEBGK,JLRCLJKCSA,N,PC(18:1(9Z)e/2:0),ZBOQHUSCQCEBGK-JLRCLJKCSA-N
HMDB11149,509.384525041,C26H56NO6P,[H][C@@](O)(COCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/t26-/m1/s1",XKBJVQHMEXMFDZ,AREMUKBSSA,N,LysoPC(O-18:0),XKBJVQHMEXMFDZ-AREMUKBSSA-N
HMDB11150,217.179026995,C10H23N3O2,NCCCCNCCCC[C@H](N)C(O)=O,"InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1",PGPFBXMCOQNMJO,VIFPVBQESA,N,Deoxyhypusine,PGPFBXMCOQNMJO-VIFPVBQESA-N
HMDB11151,743.582890495,C42H82NO7P,CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,41H,6-13,15,17-19,21,23-40H2,1-5H3/b16-14-,22-20-/t41-/m1/s1",IQACMFWAGALEAQ,WESJWMGVSA,N,"PC(O-16:0/18:2(9Z,12Z))",IQACMFWAGALEAQ-WESJWMGVSA-N
HMDB11152,437.290624657,C21H44NO6P,[H][C@@](O)(CO\C=C/CCCCCCCCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h15,17,21,23H,2-14,16,18-20,22H2,1H3,(H,24,25)/b17-15-/t21-/m1/s1",QYTPGOPLNFESQC,NUTQULCTSA,N,PE(P-16:0e/0:0),QYTPGOPLNFESQC-NUTQULCTSA-N
HMDB11153,342.31339521,C21H42O3,[H][C@](O)(CO)CO\C=C/CCCCCCCCCCCCCCCC,"InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h17-18,21-23H,2-16,19-20H2,1H3/b18-17-/t21-/m0/s1",WXWPBUKRBCYIMR,OGLOHFSISA,N,MG(P-18:0e/0:0/0:0),WXWPBUKRBCYIMR-OGLOHFSISA-N
HMDB11154,394.248425492,C19H39O6P,CCCCCCCCCCCCCC\C=C/OC[C@](O)([H])COP(=O)(O)O,"InChI=1S/C19H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h15-16,19-20H,2-14,17-18H2,1H3,(H2,21,22,23)/b16-15-/t19-/m1/s1",LBGSRVIXIVDRQM,OAXWQBPPSA,N,LPA(P-16:0e/0:0),LBGSRVIXIVDRQM-OAXWQBPPSA-N
HMDB11155,656.478091074,C37H69O7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,33,36H,3-10,12,14-16,18,20-30,32,34-35H2,1-2H3,(H2,39,40,41)/b13-11-,19-17-,33-31-/t36-/m1/s1",OLCTYLMZTXKGKH,BBNWHMLASA,N,"PA(P-16:0e/18:2(9Z,12Z))",OLCTYLMZTXKGKH-BBNWHMLASA-N
HMDB11156,486.274640242,C25H43O7P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC[C@]([H])(COP(=O)(O)O)OC(C)=O,"InChI=1S/C25H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(32-24(2)26)23-31-33(27,28)29/h7-8,10-11,13-14,16-17,25H,3-6,9,12,15,18-23H2,1-2H3,(H2,27,28,29)/b8-7-,11-10-,14-13-,17-16-/t25-/m1/s1",LTIFQHVEGFEXBJ,NTNVCBRRSA,N,"PA(20:4(5Z,8Z,11Z,14Z)e/2:0)",LTIFQHVEGFEXBJ-NTNVCBRRSA-N
HMDB11157,703.551590367,C39H78NO7P,[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,38H,3-16,18,20-37,40H2,1-2H3,(H,42,43)/b19-17-/t38-/m1/s1",JJGMGPGKWYLISM,NPBIGWJUSA,N,PE(P-16:0e/18:1(9Z)),JJGMGPGKWYLISM-NPBIGWJUSA-N
HMDB11158,675.520290239,C37H74NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1",FDULCEKAOVWBTQ,PXOIRPRXSA,N,PE(P-16:0e/16:0),FDULCEKAOVWBTQ-PXOIRPRXSA-N
HMDB11160,246.08518619,C9H14N2O6,NC(CC(O)=O)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C9H14N2O6/c10-5(2-7(13)14)8(15)11-3-4(12)1-6(11)9(16)17/h4-6,12H,1-3,10H2,(H,13,14)(H,16,17)",WJDUWENBTQEKDZ,UHFFFAOYSA,N,L-alpha-Aspartyl-L-hydroxyproline,WJDUWENBTQEKDZ-UHFFFAOYSA-N
HMDB11161,260.100836254,C10H16N2O6,NC(CCC(O)=O)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C10H16N2O6/c11-6(1-2-8(14)15)9(16)12-4-5(13)3-7(12)10(17)18/h5-7,13H,1-4,11H2,(H,14,15)(H,17,18)",NRSOKLBABRGMGJ,UHFFFAOYSA,N,L-alpha-glutamyl-L-hydroxyproline,NRSOKLBABRGMGJ-UHFFFAOYSA-N
HMDB11162,204.074621504,C7H12N2O5,CC(NC(=O)CC(N)C(O)=O)C(O)=O,"InChI=1S/C7H12N2O5/c1-3(6(11)12)9-5(10)2-4(8)7(13)14/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)",ARSVRKCVNFIICJ,UHFFFAOYSA,N,L-beta-aspartyl-L-alanine,ARSVRKCVNFIICJ-UHFFFAOYSA-N
HMDB11163,248.064450748,C8H12N2O7,NC(CC(=O)NC(CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C8H12N2O7/c9-3(7(14)15)1-5(11)10-4(8(16)17)2-6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)",KXAWLANLJYMEGB,UHFFFAOYSA,N,L-beta-aspartyl-L-aspartic acid,KXAWLANLJYMEGB-UHFFFAOYSA-N
HMDB11164,262.080100812,C9H14N2O7,NC(CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C9H14N2O7/c10-4(8(15)16)3-6(12)11-5(9(17)18)1-2-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)",DBMVITQDGVMXEY,UHFFFAOYSA,N,L-beta-aspartyl-L-glutamic acid,DBMVITQDGVMXEY-UHFFFAOYSA-N
HMDB11165,190.05897144,C6H10N2O5,NC(CC(=O)NCC(O)=O)C(O)=O,"InChI=1S/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)",ZTEDWFWBGPKUOD,UHFFFAOYSA,N,L-beta-aspartyl-L-glycine,ZTEDWFWBGPKUOD-UHFFFAOYSA-N
HMDB11166,246.121571696,C10H18N2O5,CC(C)CC(NC(=O)CC(N)C(O)=O)C(O)=O,"InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)",IYJILWQAFPUBHP,UHFFFAOYSA,N,L-beta-aspartyl-L-leucine,IYJILWQAFPUBHP-UHFFFAOYSA-N
HMDB11167,280.105921632,C13H16N2O5,NC(CC(=O)NC(CC1=CC=CC=C1)C(O)=O)C(O)=O,"InChI=1S/C13H16N2O5/c14-9(12(17)18)7-11(16)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)(H,19,20)",KDGAYJIGGCDHPH,UHFFFAOYSA,N,L-beta-aspartyl-L-phenylalanine,KDGAYJIGGCDHPH-UHFFFAOYSA-N
HMDB11168,220.069536126,C7H12N2O6,NC(CC(=O)NC(CO)C(O)=O)C(O)=O,"InChI=1S/C7H12N2O6/c8-3(6(12)13)1-5(11)9-4(2-10)7(14)15/h3-4,10H,1-2,8H2,(H,9,11)(H,12,13)(H,14,15)",NXUUVXVCYTVIQQ,UHFFFAOYSA,N,L-beta-aspartyl-L-serine,NXUUVXVCYTVIQQ-UHFFFAOYSA-N
HMDB11169,234.08518619,C8H14N2O6,CC(O)C(NC(=O)CC(N)C(O)=O)C(O)=O,"InChI=1S/C8H14N2O6/c1-3(11)6(8(15)16)10-5(12)2-4(9)7(13)14/h3-4,6,11H,2,9H2,1H3,(H,10,12)(H,13,14)(H,15,16)",XPMVVZFGFJOFSL,UHFFFAOYSA,N,L-beta-aspartyl-L-threonine,XPMVVZFGFJOFSL-UHFFFAOYSA-N
HMDB11170,260.13722176,C11H20N2O5,CCC(C)C(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C11H20N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h6-7,9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)",SNCKGJWJABDZHI,UHFFFAOYSA,N,L-gamma-glutamyl-L-isoleucine,SNCKGJWJABDZHI-UHFFFAOYSA-N
HMDB11171,260.13722176,C11H20N2O5,CC(C)CC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)",MYFMARDICOWMQP,UHFFFAOYSA,N,L-gamma-glutamyl-L-leucine,MYFMARDICOWMQP-UHFFFAOYSA-N
HMDB11172,246.121571696,C10H18N2O5,CC(C)C(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-7(13)4-3-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)",AQAKHZVPOOGUCK,UHFFFAOYSA,N,L-gamma-glutamyl-L-valine,AQAKHZVPOOGUCK-UHFFFAOYSA-N
HMDB11173,188.079706882,C7H12N2O4,NCC(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)",ZJQXGJBINIMBOY,UHFFFAOYSA,N,L-glycyl-L-hydroxyproline,ZJQXGJBINIMBOY-UHFFFAOYSA-N
HMDB11174,228.147392516,C11H20N2O3,CCC(C)C(N)C(=O)N1CCCC1C(O)=O,"InChI=1S/C11H20N2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)",BBIXOODYWPFNDT,UHFFFAOYSA,N,L-isoleucyl-L-proline,BBIXOODYWPFNDT-UHFFFAOYSA-N
HMDB11175,228.147392516,C11H20N2O3,CC(C)CC(N)C(=O)N1CCCC1C(O)=O,"InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)",VTJUNIYRYIAIHF,UHFFFAOYSA,N,L-leucyl-L-proline,VTJUNIYRYIAIHF-UHFFFAOYSA-N
HMDB11176,278.126657074,C14H18N2O4,NC(CC1=CC=CC=C1)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C14H18N2O4/c15-11(6-9-4-2-1-3-5-9)13(18)16-8-10(17)7-12(16)14(19)20/h1-5,10-12,17H,6-8,15H2,(H,19,20)",WJSNJMXOBDSZDL,UHFFFAOYSA,N,L-phenylalanyl-L-hydroxyproline,WJSNJMXOBDSZDL-UHFFFAOYSA-N
HMDB11177,262.131742452,C14H18N2O3,NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(O)=O,"InChI=1S/C14H18N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)",WEQJQNWXCSUVMA,UHFFFAOYSA,N,L-phenylalanyl-L-proline,WEQJQNWXCSUVMA-UHFFFAOYSA-N
HMDB11178,172.08479226,C7H12N2O3,OC(=O)CNC(=O)C1CCCN1,"InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)",RNKSNIBMTUYWSH,UHFFFAOYSA,N,L-prolyl-L-glycine,RNKSNIBMTUYWSH-UHFFFAOYSA-N
HMDB11179,262.131742452,C14H18N2O3,OC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1,"InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)",IWIANZLCJVYEFX,UHFFFAOYSA,N,L-prolyl-L-phenylalanine,IWIANZLCJVYEFX-UHFFFAOYSA-N
HMDB11180,212.116092388,C10H16N2O3,OC(=O)C1CCCN1C(=O)C1CCCN1,"InChI=1S/C10H16N2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)",RWCOTTLHDJWHRS,UHFFFAOYSA,N,L-prolyl-L-proline,RWCOTTLHDJWHRS-UHFFFAOYSA-N
HMDB11181,398.354866094,C28H46O,CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",OILXMJHPFNGGTO,SDMVIZLASA,N,Brassicasterol,OILXMJHPFNGGTO-SDMVIZLASA-N
HMDB11182,386.354866094,C27H46O,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1",PESKGJQREUXSRR,JDIFZLMISA,N,5beta-Cholestanone,PESKGJQREUXSRR-JDIFZLMISA-N
HMDB11185,199.024573569,C4H10NO6P,C[C@@H](OP(O)(O)=O)[C@H](N)C(O)=O,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",USRGIUJOYOXOQJ,GBXIJSLDSA,N,O-Phosphothreonine,USRGIUJOYOXOQJ-GBXIJSLDSA-N
HMDB11187,470.360739332,C27H50O6,[H]C(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)OC(=O)CCCCCCC,"InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3",VLPFTAMPNXLGLX,UHFFFAOYSA,N,TG(8:0/8:0/8:0),VLPFTAMPNXLGLX-UHFFFAOYSA-N
HMDB11188,638.5485401,C39H74O6,[H]C(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1S/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3",VMPHSYLJUKZBJJ,UHFFFAOYSA,N,TG(12:0/12:0/12:0),VMPHSYLJUKZBJJ-UHFFFAOYSA-N
HMDB11195,300.172544634,C19H24O3,COC1=C(O)C=C2C3CC[C@]4(C)C(CCC4=O)C3CCC2=C1,"InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12?,13?,15?,19-/m1/s1",YBCPNMOFBUWYTP,ACOLZQMSSA,N,2-Hydroxy-3-methoxyestrone,YBCPNMOFBUWYTP-ACOLZQMSSA-N
HMDB11201,837.624755309,C48H88NO8P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,46H,6-13,15,17-19,24-25,27,29-45H2,1-5H3/b16-14-,22-20-,23-21-,28-26-/t46-/m1/s1",LZXZOHSYOCWXFB,DWTYVZKUSA,N,"PC(20:3(8Z,11Z,14Z)/20:1(11Z))",LZXZOHSYOCWXFB-DWTYVZKUSA-N
HMDB11202,841.656055437,C48H92NO8P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h17,19-20,22,46H,6-16,18,21,23-45H2,1-5H3/b19-17-,22-20-/t46-/m1/s1",VMYYPARBVHMEFG,WQZYGQBESA,N,PC(22:1(13Z)/18:1(11Z)),VMYYPARBVHMEFG-WQZYGQBESA-N
HMDB11203,689.535940303,C38H76NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C38H76NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h30,33,37H,6-29,31-32,34-36H2,1-5H3/b33-30-/t37-/m1/s1",SOUFUEMRDVBNJD,APMJBGCSSA,N,PC(P-16:0/14:0),SOUFUEMRDVBNJD-APMJBGCSSA-N
HMDB11204,687.520290239,C38H74NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C38H74NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h13,15,30,33,37H,6-12,14,16-29,31-32,34-36H2,1-5H3/b15-13-,33-30-/t37-/m1/s1",RMEZSZVJIYBBIJ,MWXRYAQWSA,N,PC(P-16:0/14:1(9Z)),RMEZSZVJIYBBIJ-MWXRYAQWSA-N
HMDB11205,703.551590367,C39H78NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C39H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h31,34,38H,6-30,32-33,35-37H2,1-5H3/b34-31-/t38-/m1/s1",ZUJMOGQAXDIANT,WBXWDXDJSA,N,PC(P-16:0/15:0),ZUJMOGQAXDIANT-WBXWDXDJSA-N
HMDB11206,717.567240431,C40H80NO7P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32-/t39-/m1/s1",PEWXKAOBUSBJLD,MCBGMKGZSA,N,PC(P-16:0/16:0),PEWXKAOBUSBJLD-MCBGMKGZSA-N
HMDB11207,715.551590367,C40H78NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,32,35,39H,6-16,18,20-31,33-34,36-38H2,1-5H3/b19-17-,35-32-/t39-/m1/s1",FZMYLOBGNYZPQO,QLSONYGBSA,N,PC(P-16:0/16:1(9Z)),FZMYLOBGNYZPQO-QLSONYGBSA-N
HMDB11208,745.598540559,C42H84NO7P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/b37-34-/t41-/m1/s1",ZGOGLUJRGBOVEK,IIKIFWEUSA,N,PC(P-16:0/18:0),ZGOGLUJRGBOVEK-IIKIFWEUSA-N
HMDB11209,743.582890495,C42H82NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h16,18,34,37,41H,6-15,17,19-33,35-36,38-40H2,1-5H3/b18-16-,37-34-/t41-/m1/s1",MVDFTRYOOPZXII,JEPFLRBFSA,N,PC(P-16:0/18:1(11Z)),MVDFTRYOOPZXII-JEPFLRBFSA-N
HMDB11210,743.582890495,C42H82NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,34,37,41H,6-19,21,23-33,35-36,38-40H2,1-5H3/b22-20-,37-34-/t41-/m1/s1",CRBBMHQTIAELIS,KQBBALDBSA,N,PC(P-16:0/18:1(9Z)),CRBBMHQTIAELIS-KQBBALDBSA-N
HMDB11211,741.567240431,C42H80NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,34,37,41H,6-13,15,17-19,21,23-33,35-36,38-40H2,1-5H3/b16-14-,22-20-,37-34-/t41-/m1/s1",QLEHHUPUHJPURI,PWYDUFMYSA,N,"PC(P-16:0/18:2(9Z,12Z))",QLEHHUPUHJPURI-PWYDUFMYSA-N
HMDB11212,739.551590367,C42H78NO7P,CCCCCCCCCCCCCC\C=C/OC[C@@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,34,37,41H,6-13,15,17-19,21,23-24,26,28-33,35-36,38-40H2,1-5H3/b16-14-,22-20-,27-25-,37-34-/t41-/m0/s1",MNOGOEJZCHBAEJ,LGHFGPIWSA,N,"PC(P-16:0/18:3(6Z,9Z,12Z))",MNOGOEJZCHBAEJ-LGHFGPIWSA-N
HMDB11213,739.551590367,C42H78NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,34,37,41H,6-7,9,11-13,15,17-19,21,23-33,35-36,38-40H2,1-5H3/b10-8-,16-14-,22-20-,37-34-/t41-/m1/s1",WXQJKOUXCWEMOK,LUPMRSKMSA,N,"PC(P-16:0/18:3(9Z,12Z,15Z))",WXQJKOUXCWEMOK-LUPMRSKMSA-N
HMDB11214,737.535940303,C42H76NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H76NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,34,37,41H,6-7,9,11-13,15,17-19,21,23-24,26,28-33,35-36,38-40H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,37-34-/t41-/m1/s1",DFANIYFZNIJQEP,FAVOOIQCSA,N,"PC(P-16:0/18:4(6Z,9Z,12Z,15Z))",DFANIYFZNIJQEP-FAVOOIQCSA-N
HMDB11215,773.629840687,C44H88NO7P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-/t43-/m1/s1",HGGMAPXNHACWRM,PHHYKNGOSA,N,PC(P-16:0/20:0),HGGMAPXNHACWRM-PHHYKNGOSA-N
HMDB11216,771.614190623,C44H86NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,36,39,43H,6-19,21,23-35,37-38,40-42H2,1-5H3/b22-20-,39-36-/t43-/m1/s1",WXILBCFZIXHZIG,KOUVQCMKSA,N,PC(P-16:0/20:1(11Z)),WXILBCFZIXHZIG-KOUVQCMKSA-N
HMDB11217,769.598540559,C44H84NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,36,39,43H,6-13,15,17-19,21,23-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,39-36-/t43-/m1/s1",DORCYMODRHDYER,VTLIZAISSA,N,"PC(P-16:0/20:2(11Z,14Z))",DORCYMODRHDYER-VTLIZAISSA-N
HMDB11218,767.582890495,C44H82NO7P,CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,24-25,29,31,36,39,43H,6-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b22-20-,25-24-,31-29-,39-36-",XWYIIYJIVUGRQE,YDGSBDHOSA,N,"PC(P-16:0/20:3(5Z,8Z,11Z))",XWYIIYJIVUGRQE-YDGSBDHOSA-N
HMDB11219,767.582890495,C44H82NO7P,CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,36,39,43H,6-13,15,17-19,21,23,26-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,39-36-",SWWXTMWKIUVGCD,NXTBAPBJSA,N,"PC(P-16:0/20:3(8Z,11Z,14Z))",SWWXTMWKIUVGCD-NXTBAPBJSA-N
HMDB11220,765.567240431,C44H80NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,36,39,43H,6-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,39-36-/t43-/m1/s1",IOYKZPNDXIIXLN,LOQSCQKMSA,N,"PC(P-16:0/20:4(5Z,8Z,11Z,14Z))",IOYKZPNDXIIXLN-LOQSCQKMSA-N
HMDB11221,765.567240431,C44H80NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,36,39,43H,6-7,9,11-13,15,17-19,21,23,26-35,37-38,40-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,39-36-/t43-/m1/s1",FYYVVICAMXUASI,YEHIGFSXSA,N,"PC(P-16:0/20:4(8Z,11Z,14Z,17Z))",FYYVVICAMXUASI-YEHIGFSXSA-N
HMDB11222,763.551590367,C44H78NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,36,39,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,39-36-/t43-/m1/s1",OEZJTMNFEIOILN,ACTKFRKUSA,N,"PC(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))",OEZJTMNFEIOILN-ACTKFRKUSA-N
HMDB11223,801.661140815,C46H92NO7P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h38,41,45H,6-37,39-40,42-44H2,1-5H3/b41-38-/t45-/m1/s1",RWOMITBJCKQBQB,ZUELBQRLSA,N,PC(P-16:0/22:0),RWOMITBJCKQBQB-ZUELBQRLSA-N
HMDB11224,799.645490751,C46H90NO7P,CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h20,22,38,41,45H,6-19,21,23-37,39-40,42-44H2,1-5H3/b22-20-,41-38-",CJDGKVVSPZVIEB,NYALRLSRSA,N,PC(P-16:0/22:1(13Z)),CJDGKVVSPZVIEB-NYALRLSRSA-N
HMDB11225,797.629840687,C46H88NO7P,CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,38,41,45H,6-13,15,17-19,21,23-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,41-38-",JTGWLDIBNOVBAO,RIFWRQLLSA,N,"PC(P-16:0/22:2(13Z,16Z))",JTGWLDIBNOVBAO-RIFWRQLLSA-N
HMDB11226,793.598540559,C46H84NO7P,CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27,29,38,41,45H,6-13,15,17-19,21,23,26,28,30-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,25-24-,29-27-,41-38-",DQZNSYOOQMCBDC,PZVMGWTJSA,N,"PC(P-16:0/22:4(7Z,10Z,13Z,16Z))",DQZNSYOOQMCBDC-PZVMGWTJSA-N
HMDB11227,791.582890495,C46H82NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27,29,33,35,38,41,45H,6-13,15,17-19,21,23,26,28,30-32,34,36-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,25-24-,29-27-,35-33-,41-38-/t45-/m1/s1",FAKYQMLQEAQOLK,LHZZQLRFSA,N,"PC(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z))",FAKYQMLQEAQOLK-LHZZQLRFSA-N
HMDB11228,791.582890495,C46H82NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,38,41,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,41-38-/t45-/m1/s1",YINHBRYJXSJGGB,BXFGBEPMSA,N,"PC(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z))",YINHBRYJXSJGGB-BXFGBEPMSA-N
HMDB11229,789.567240431,C46H80NO7P,CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,38,41,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,35-33-,41-38-",QICWUUGBNFIZAZ,VEOGPPBOSA,N,"PC(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QICWUUGBNFIZAZ-VEOGPPBOSA-N
HMDB11230,829.692440943,C48H96NO7P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-21-19-17-15-13-11-9-7-2/h40,43,47H,6-39,41-42,44-46H2,1-5H3/b43-40-",GADWRGZCWDFELP,SATDTQGDSA,N,PC(P-16:0/24:0),GADWRGZCWDFELP-SATDTQGDSA-N
HMDB11231,827.676790879,C48H94NO7P,CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-21-19-17-15-13-11-9-7-2/h20,22,40,43,47H,6-19,21,23-39,41-42,44-46H2,1-5H3/b22-20-,43-40-/t47-/m1/s1",MFWRQYURIQTOKU,FIXDCBGKSA,N,PC(P-16:0/24:1(15Z)),MFWRQYURIQTOKU-FIXDCBGKSA-N
HMDB11236,717.567240431,C40H80NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32-/t39-/m1/s1",DUKGKTNZVUHGNM,MCBGMKGZSA,N,PC(P-18:0/14:0),DUKGKTNZVUHGNM-MCBGMKGZSA-N
HMDB11237,715.551590367,C40H78NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15,32,35,39H,6-12,14,16-31,33-34,36-38H2,1-5H3/b15-13-,35-32-/t39-/m1/s1",YCWPYAHFDSLECT,ZFHQVLSYSA,N,PC(P-18:0/14:1(9Z)),YCWPYAHFDSLECT-ZFHQVLSYSA-N
HMDB11238,731.582890495,C41H82NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C41H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42(3,4)5)49-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h33,36,40H,6-32,34-35,37-39H2,1-5H3/b36-33-/t40-/m1/s1",YMQWMWYMLSUPHY,DZGZMTAISA,N,PC(P-18:0/15:0),YMQWMWYMLSUPHY-DZGZMTAISA-N
HMDB11239,745.598540559,C42H84NO7P,CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/b37-34-",OIICTMOQBYZCDA,LLLYXHGFSA,N,PC(P-18:0/16:0),OIICTMOQBYZCDA-LLLYXHGFSA-N
HMDB11240,743.582890495,C42H82NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h17,19,34,37,41H,6-16,18,20-33,35-36,38-40H2,1-5H3/b19-17-,37-34-/t41-/m1/s1",KMNVIRCHUMQGHD,RCINKDPXSA,N,PC(P-18:0/16:1(9Z)),KMNVIRCHUMQGHD-RCINKDPXSA-N
HMDB11241,773.629840687,C44H88NO7P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-/t43-/m1/s1",HCBLXOORGBFPGF,PHHYKNGOSA,N,PC(P-18:0/18:0),HCBLXOORGBFPGF-PHHYKNGOSA-N
HMDB11242,771.614190623,C44H86NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,36,39,43H,6-16,18,20-35,37-38,40-42H2,1-5H3/b19-17-,39-36-/t43-/m1/s1",JDTHSYITWRQVSV,CESBNGMCSA,N,PC(P-18:0/18:1(11Z)),JDTHSYITWRQVSV-CESBNGMCSA-N
HMDB11243,771.614190623,C44H86NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,36,39,43H,6-20,22,24-35,37-38,40-42H2,1-5H3/b23-21-,39-36-/t43-/m1/s1",DSWOVBIRJNAJAF,NVJOKYTBSA,N,PC(P-18:0/18:1(9Z)),DSWOVBIRJNAJAF-NVJOKYTBSA-N
HMDB11244,769.598540559,C44H84NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,36,39,43H,6-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b17-15-,23-21-,39-36-/t43-/m1/s1",PWPOLLAYFXIWOQ,PXSMKGAESA,N,"PC(P-18:0/18:2(9Z,12Z))",PWPOLLAYFXIWOQ-PXSMKGAESA-N
HMDB11245,767.582890495,C44H82NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,36,39,43H,6-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,23-21-,29-27-,39-36-/t43-/m1/s1",QQZAQKGMSREYHF,KDEBBMLKSA,N,"PC(P-18:0/18:3(6Z,9Z,12Z))",QQZAQKGMSREYHF-KDEBBMLKSA-N
HMDB11246,767.582890495,C44H82NO7P,CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,36,39,43H,6-8,10,12-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,39-36-",PYVYDRMXPDZRIS,FINMKEMFSA,N,"PC(P-18:0/18:3(9Z,12Z,15Z))",PYVYDRMXPDZRIS-FINMKEMFSA-N
HMDB11247,765.567240431,C44H80NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,36,39,43H,6-8,10,12-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,39-36-/t43-/m1/s1",KDEGUFHTTWTTCT,XMVXZYCSSA,N,"PC(P-18:0/18:4(6Z,9Z,12Z,15Z))",KDEGUFHTTWTTCT-XMVXZYCSSA-N
HMDB11248,801.661140815,C46H92NO7P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h38,41,45H,6-37,39-40,42-44H2,1-5H3/b41-38-/t45-/m1/s1",QWVYUFKGZQQYHH,ZUELBQRLSA,N,PC(P-18:0/20:0),QWVYUFKGZQQYHH-ZUELBQRLSA-N
HMDB11249,799.645490751,C46H90NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,38,41,45H,6-19,21,23-37,39-40,42-44H2,1-5H3/b22-20-,41-38-/t45-/m1/s1",FKMPXOIFOMUSIR,DRXVJJSWSA,N,PC(P-18:0/20:1(11Z)),FKMPXOIFOMUSIR-DRXVJJSWSA-N
HMDB11250,797.629840687,C46H88NO7P,CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,38,41,45H,6-13,15,17-19,21,23-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,41-38-",HAUOVKKYZIZSBI,RIFWRQLLSA,N,"PC(P-18:0/20:2(11Z,14Z))",HAUOVKKYZIZSBI-RIFWRQLLSA-N
HMDB11251,795.614190623,C46H86NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,25,27,31,33,38,41,45H,6-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b22-20-,27-25-,33-31-,41-38-/t45-/m1/s1",GDXHWAGFLXXWJB,FJXNGXPBSA,N,"PC(P-18:0/20:3(5Z,8Z,11Z))",GDXHWAGFLXXWJB-FJXNGXPBSA-N
HMDB11252,795.614190623,C46H86NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,38,41,45H,6-13,15,17-19,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,27-25-,41-38-/t45-/m1/s1",LIRPHCPLRLOMHJ,ABWFFGIPSA,N,"PC(P-18:0/20:3(8Z,11Z,14Z))",LIRPHCPLRLOMHJ-ABWFFGIPSA-N
HMDB11253,793.598540559,C46H84NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,38,41,45H,6-13,15,17-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,27-25-,33-31-,41-38-/t45-/m1/s1",FHHVIBPVBBRLOR,IYACIECVSA,N,"PC(P-18:0/20:4(5Z,8Z,11Z,14Z))",FHHVIBPVBBRLOR-IYACIECVSA-N
HMDB11254,793.598540559,C46H84NO7P,CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,38,41,45H,6-7,9,11-13,15,17-19,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,41-38-",YPAPIRJFGNBODV,AMFPDOHCSA,N,"PC(P-18:0/20:4(8Z,11Z,14Z,17Z))",YPAPIRJFGNBODV-AMFPDOHCSA-N
HMDB11255,791.582890495,C46H82NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,38,41,45H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-,41-38-/t45-/m1/s1",JUCWIWDODRNWRN,REKGFNPQSA,N,"PC(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",JUCWIWDODRNWRN-REKGFNPQSA-N
HMDB11256,829.692440943,C48H96NO7P,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h40,43,47H,6-39,41-42,44-46H2,1-5H3/b43-40-",ODWWPXNLOCQPJK,SATDTQGDSA,N,PC(P-18:0/22:0),ODWWPXNLOCQPJK-SATDTQGDSA-N
HMDB11257,827.676790879,C48H94NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20,22,40,43,47H,6-19,21,23-39,41-42,44-46H2,1-5H3/b22-20-,43-40-/t47-/m1/s1",LKWFUNFGOVKKFF,FIXDCBGKSA,N,PC(P-18:0/22:1(13Z)),LKWFUNFGOVKKFF-FIXDCBGKSA-N
HMDB11258,825.661140815,C48H92NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,40,43,47H,6-13,15,17-19,21,23-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,43-40-/t47-/m1/s1",QUSDYMYZGNKBRR,SHODKSNWSA,N,"PC(P-18:0/22:2(13Z,16Z))",QUSDYMYZGNKBRR-SHODKSNWSA-N
HMDB11259,821.629840687,C48H88NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,29,31,40,43,47H,6-13,15,17-19,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,26-25-,31-29-,43-40-/t47-/m1/s1",VDLGCGQWZPLRIL,PRDDZFMDSA,N,"PC(P-18:0/22:4(7Z,10Z,13Z,16Z))",VDLGCGQWZPLRIL-PRDDZFMDSA-N
HMDB11260,819.614190623,C48H86NO7P,CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,29,31,35,37,40,43,47H,6-13,15,17-19,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,26-25-,31-29-,37-35-,43-40-",DIXCRWPGXRCKNG,SOTCHDEZSA,N,"PC(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",DIXCRWPGXRCKNG-SOTCHDEZSA-N
HMDB11261,819.614190623,C48H86NO7P,CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,40,43,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,43-40-",NTKLXMCMSZIFBX,LXZOKQGKSA,N,"PC(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",NTKLXMCMSZIFBX-LXZOKQGKSA-N
HMDB11262,817.598540559,C48H84NO7P,CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1",TXHZYNSTTCIWMJ,RXSQUPBGSA,N,"PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",TXHZYNSTTCIWMJ-RXSQUPBGSA-N
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HMDB11273,741.567240431,C42H80NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16-19,34,37,41H,6-15,20-33,35-36,38-40H2,1-5H3/b18-16-,19-17-,37-34-/t41-/m1/s1",MKSPXEKLAWXUQB,YZISGTAMSA,N,PC(P-18:1(11Z)/16:1(9Z)),MKSPXEKLAWXUQB-YZISGTAMSA-N
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HMDB11277,767.582890495,C44H82NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,36,39,43H,6-14,19-20,22,24-35,37-38,40-42H2,1-5H3/b17-15-,18-16-,23-21-,39-36-/t43-/m1/s1",ABOXWZCNWOBUEO,DNRJJOHKSA,N,"PC(P-18:1(11Z)/18:2(9Z,12Z))",ABOXWZCNWOBUEO-DNRJJOHKSA-N
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HMDB11279,765.567240431,C44H80NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,36,39,43H,6-8,10,12-14,19-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,39-36-",JPNFMUKASUYGCK,ZXWSQSGJSA,N,"PC(P-18:1(11Z)/18:3(9Z,12Z,15Z))",JPNFMUKASUYGCK-ZXWSQSGJSA-N
HMDB11280,763.551590367,C44H78NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,27,29,36,39,43H,6-8,10,12-14,19-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,29-27-,39-36-/t43-/m1/s1",DBMSAJFSJLCYLI,YAYDGDQKSA,N,"PC(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",DBMSAJFSJLCYLI-YAYDGDQKSA-N
HMDB11281,799.645490751,C46H90NO7P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h17,19,38,41,45H,6-16,18,20-37,39-40,42-44H2,1-5H3/b19-17-,41-38-/t45-/m1/s1",IDLUMGMMMVTISV,MFQJCYCWSA,N,PC(P-18:1(11Z)/20:0),IDLUMGMMMVTISV-MFQJCYCWSA-N
HMDB11282,797.629840687,C46H88NO7P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,38,41,45H,6-16,18,21,23-37,39-40,42-44H2,1-5H3/b19-17-,22-20-,41-38-/t45-/m1/s1",ZNEQNSFFFRUHCV,LUDJTAFBSA,N,PC(P-18:1(11Z)/20:1(11Z)),ZNEQNSFFFRUHCV-LUDJTAFBSA-N
HMDB11283,795.614190623,C46H86NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,38,41,45H,6-13,15,18,21,23-37,39-40,42-44H2,1-5H3/b16-14-,19-17-,22-20-,41-38-/t45-/m1/s1",HIXAZEWYTJZKID,PYOQPOKHSA,N,"PC(P-18:1(11Z)/20:2(11Z,14Z))",HIXAZEWYTJZKID-PYOQPOKHSA-N
HMDB11284,793.598540559,C46H84NO7P,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,25,27,31,33,38,41,45H,6-16,18,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b19-17-,22-20-,27-25-,33-31-,41-38-",DYFGXBAIDOATAE,DSLLYOFSSA,N,"PC(P-18:1(11Z)/20:3(5Z,8Z,11Z))",DYFGXBAIDOATAE-DSLLYOFSSA-N
HMDB11285,793.598540559,C46H84NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,38,41,45H,6-13,15,18,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,19-17-,22-20-,27-25-,41-38-/t45-/m1/s1",DBQMOXDLWKVKKG,REWQMPQJSA,N,"PC(P-18:1(11Z)/20:3(8Z,11Z,14Z))",DBQMOXDLWKVKKG-REWQMPQJSA-N
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HMDB11290,825.661140815,C48H92NO7P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,40,43,47H,6-16,18,21,23-39,41-42,44-46H2,1-5H3/b19-17-,22-20-,43-40-/t47-/m1/s1",JPZXHXFKTSQZLB,UYSIVGNYSA,N,PC(P-18:1(11Z)/22:1(13Z)),JPZXHXFKTSQZLB-UYSIVGNYSA-N
HMDB11291,823.645490751,C48H90NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,40,43,47H,6-13,15,18,21,23-39,41-42,44-46H2,1-5H3/b16-14-,19-17-,22-20-,43-40-",GCJYMGXKZROELS,ARPDTERPSA,N,"PC(P-18:1(11Z)/22:2(13Z,16Z))",GCJYMGXKZROELS-ARPDTERPSA-N
HMDB11292,819.614190623,C48H86NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25-26,29,31,40,43,47H,6-13,15,18,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,19-17-,22-20-,26-25-,31-29-,43-40-",KUHMJRMPHBRAMY,DDURNVNNSA,N,"PC(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",KUHMJRMPHBRAMY-DDURNVNNSA-N
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HMDB11294,817.598540559,C48H84NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25-26,29,31,40,43,47H,6-7,9,11-13,15,18,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,26-25-,31-29-,43-40-/t47-/m1/s1",XUQUBMWHOCTWHI,WCHRWXAXSA,N,"PC(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XUQUBMWHOCTWHI-WCHRWXAXSA-N
HMDB11295,815.582890495,C48H82NO7P,CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,18,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1",PTORLBABCFQDMJ,DETGKXMDSA,N,"PC(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PTORLBABCFQDMJ-DETGKXMDSA-N
HMDB11296,855.708091007,C50H98NO7P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h17,19,42,45,49H,6-16,18,20-41,43-44,46-48H2,1-5H3/b19-17-,45-42-/t49-/m1/s1",FKJFQKGICJZAJQ,XWKRXFSPSA,N,PC(P-18:1(11Z)/24:0),FKJFQKGICJZAJQ-XWKRXFSPSA-N
HMDB11297,853.692440943,C50H96NO7P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,42,45,49H,6-16,18,21,23-41,43-44,46-48H2,1-5H3/b19-17-,22-20-,45-42-/t49-/m1/s1",JSYLSPXKJLUURP,AGCBSNCXSA,N,PC(P-18:1(11Z)/24:1(15Z)),JSYLSPXKJLUURP-AGCBSNCXSA-N
HMDB11302,715.551590367,C40H78NO7P,CCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h19-20,32,35,39H,6-18,21-31,33-34,36-38H2,1-5H3/b20-19-,35-32-",SFNSPIOJURBSRT,FWMFHLHFSA,N,PC(P-18:1(9Z)/14:0),SFNSPIOJURBSRT-FWMFHLHFSA-N
HMDB11303,713.535940303,C40H76NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C40H76NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15,19-20,32,35,39H,6-12,14,16-18,21-31,33-34,36-38H2,1-5H3/b15-13-,20-19-,35-32-",HBSHQXCUTWXTCM,WLTDODEOSA,N,PC(P-18:1(9Z)/14:1(9Z)),HBSHQXCUTWXTCM-WLTDODEOSA-N
HMDB11304,729.567240431,C41H80NO7P,CCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C41H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42(3,4)5)49-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,33,36,40H,6-19,22-32,34-35,37-39H2,1-5H3/b21-20-,36-33-",WUSDPFVBZAKNBL,IMZFPPOWSA,N,PC(P-18:1(9Z)/15:0),WUSDPFVBZAKNBL-IMZFPPOWSA-N
HMDB11305,743.582890495,C42H82NO7P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,34,37,41H,6-19,22-33,35-36,38-40H2,1-5H3/b21-20-,37-34-/t41-/m1/s1",IWCUEZYKNAGNRQ,ILDAMNDZSA,N,PC(P-18:1(9Z)/16:0),IWCUEZYKNAGNRQ-ILDAMNDZSA-N
HMDB11306,741.567240431,C42H80NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h17,19-21,34,37,41H,6-16,18,22-33,35-36,38-40H2,1-5H3/b19-17-,21-20-,37-34-/t41-/m1/s1",SUJRZRVPVIAXCE,PYRHUWMFSA,N,PC(P-18:1(9Z)/16:1(9Z)),SUJRZRVPVIAXCE-PYRHUWMFSA-N
HMDB11307,771.614190623,C44H86NO7P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,36,39,43H,6-19,21,23-35,37-38,40-42H2,1-5H3/b22-20-,39-36-/t43-/m1/s1",ZOTYCHIFTCFAHC,KOUVQCMKSA,N,PC(P-18:1(9Z)/18:0),ZOTYCHIFTCFAHC-KOUVQCMKSA-N
HMDB11308,769.598540559,C44H84NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,36,39,43H,6-16,18,21,23-35,37-38,40-42H2,1-5H3/b19-17-,22-20-,39-36-/t43-/m1/s1",PQIJYJGVCKCIRT,YLCPJMBASA,N,PC(P-18:1(9Z)/18:1(11Z)),PQIJYJGVCKCIRT-YLCPJMBASA-N
HMDB11309,769.598540559,C44H84NO7P,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,36,39,43H,6-19,24-35,37-38,40-42H2,1-5H3/b22-20-,23-21-,39-36-/t43-/m1/s1",DIHWZUCEXWUHOD,IIVNATNGSA,N,PC(P-18:1(9Z)/18:1(9Z)),DIHWZUCEXWUHOD-IIVNATNGSA-N
HMDB11310,767.582890495,C44H82NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,36,39,43H,6-14,16,18-19,24-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,39-36-/t43-/m1/s1",GCJSAIGGRCSHDG,UWGOCUKWSA,N,"PC(P-18:1(9Z)/18:2(9Z,12Z))",GCJSAIGGRCSHDG-UWGOCUKWSA-N
HMDB11311,765.567240431,C44H80NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,36,39,43H,6-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,39-36-/t43-/m1/s1",UMVUERLCXMUMBK,DSXXCHKPSA,N,"PC(P-18:1(9Z)/18:3(6Z,9Z,12Z))",UMVUERLCXMUMBK-DSXXCHKPSA-N
HMDB11312,765.567240431,C44H80NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,36,39,43H,6-8,10,12-14,16,18-19,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,39-36-/t43-/m1/s1",ACSIRQPNAYTBRW,CBOVKQJBSA,N,"PC(P-18:1(9Z)/18:3(9Z,12Z,15Z))",ACSIRQPNAYTBRW-CBOVKQJBSA-N
HMDB11313,763.551590367,C44H78NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,36,39,43H,6-8,10,12-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-,39-36-/t43-/m1/s1",UMDQTGZSPMWPID,CYNKDJQJSA,N,"PC(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",UMDQTGZSPMWPID-CYNKDJQJSA-N
HMDB11314,799.645490751,C46H90NO7P,CCCCCCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h21,23,38,41,45H,6-20,22,24-37,39-40,42-44H2,1-5H3/b23-21-,41-38-",QRKPRYUOVGQVHV,MOVUKYBSSA,N,PC(P-18:1(9Z)/20:0),QRKPRYUOVGQVHV-MOVUKYBSSA-N
HMDB11315,797.629840687,C46H88NO7P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,38,41,45H,6-19,24-37,39-40,42-44H2,1-5H3/b22-20-,23-21-,41-38-/t45-/m1/s1",VXNFJZDUQIFCMO,WCXGAVHKSA,N,PC(P-18:1(9Z)/20:1(11Z)),VXNFJZDUQIFCMO-WCXGAVHKSA-N
HMDB11316,795.614190623,C46H86NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,38,41,45H,6-13,15,17-19,24-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,41-38-/t45-/m1/s1",GWBOVQHRCURSPU,QMFAPAEZSA,N,"PC(P-18:1(9Z)/20:2(11Z,14Z))",GWBOVQHRCURSPU-QMFAPAEZSA-N
HMDB11317,793.598540559,C46H84NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,25,27,31,33,38,41,45H,6-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b22-20-,23-21-,27-25-,33-31-,41-38-/t45-/m1/s1",CJYQPRLJFDUQJN,XDCBNNJESA,N,"PC(P-18:1(9Z)/20:3(5Z,8Z,11Z))",CJYQPRLJFDUQJN-XDCBNNJESA-N
HMDB11318,793.598540559,C46H84NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,38,41,45H,6-13,15,17-19,24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,41-38-/t45-/m1/s1",MTMYCMNVROYPNG,URFJOBLASA,N,"PC(P-18:1(9Z)/20:3(8Z,11Z,14Z))",MTMYCMNVROYPNG-URFJOBLASA-N
HMDB11319,791.582890495,C46H82NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,38,41,45H,6-13,15,17-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-,41-38-/t45-/m1/s1",HNUHLIYPMNZVJJ,HCMWKDOBSA,N,"PC(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",HNUHLIYPMNZVJJ-HCMWKDOBSA-N
HMDB11320,791.582890495,C46H82NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,38,41,45H,6-7,9,11-13,15,17-19,24,26,28-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,41-38-/t45-/m1/s1",KMIAOCFPRZDKBX,NDLZGGRQSA,N,"PC(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",KMIAOCFPRZDKBX-NDLZGGRQSA-N
HMDB11321,789.567240431,C46H80NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,31,33,38,41,45H,6-7,9,11-13,15,17-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,33-31-,41-38-",ZODCGHWSTRZXKA,HALYXBRLSA,N,"PC(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZODCGHWSTRZXKA-HALYXBRLSA-N
HMDB11322,827.676790879,C48H94NO7P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h21,23,40,43,47H,6-20,22,24-39,41-42,44-46H2,1-5H3/b23-21-,43-40-/t47-/m1/s1",KYEGAYPFBCAHDL,SPACVREBSA,N,PC(P-18:1(9Z)/22:0),KYEGAYPFBCAHDL-SPACVREBSA-N
HMDB11323,825.661140815,C48H92NO7P,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20-23,40,43,47H,6-19,24-39,41-42,44-46H2,1-5H3/b22-20-,23-21-,43-40-/t47-/m1/s1",UMEDQTSZFVUAIR,PBXDXGQFSA,N,PC(P-18:1(9Z)/22:1(13Z)),UMEDQTSZFVUAIR-PBXDXGQFSA-N
HMDB11324,823.645490751,C48H90NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,40,43,47H,6-13,15,17-19,24-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,43-40-/t47-/m1/s1",SKUXUTQFIVWLNQ,DHAWJESTSA,N,"PC(P-18:1(9Z)/22:2(13Z,16Z))",SKUXUTQFIVWLNQ-DHAWJESTSA-N
HMDB11325,819.614190623,C48H86NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25-26,29,31,40,43,47H,6-13,15,17-19,24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,26-25-,31-29-,43-40-/t47-/m1/s1",XIXCTNRTCFJCTP,QFXLUXAUSA,N,"PC(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",XIXCTNRTCFJCTP-QFXLUXAUSA-N
HMDB11326,817.598540559,C48H84NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25-26,29,31,35,37,40,43,47H,6-13,15,17-19,24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1",HJVOAEKCVMNQEX,HBPNUINMSA,N,"PC(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HJVOAEKCVMNQEX-HBPNUINMSA-N
HMDB11327,817.598540559,C48H84NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25-26,29,31,40,43,47H,6-7,9,11-13,15,17-19,24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,26-25-,31-29-,43-40-/t47-/m1/s1",QBDIXBUIZWZTDA,BBINNZMWSA,N,"PC(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QBDIXBUIZWZTDA-BBINNZMWSA-N
HMDB11328,815.582890495,C48H82NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,17-19,24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1",PWAHARWXEAMNGK,VCDFOAEJSA,N,"PC(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PWAHARWXEAMNGK-VCDFOAEJSA-N
HMDB11329,855.708091007,C50H98NO7P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h21,23,42,45,49H,6-20,22,24-41,43-44,46-48H2,1-5H3/b23-21-,45-42-/t49-/m1/s1",GJCSGDXRDRUPGA,NOOMALMASA,N,PC(P-18:1(9Z)/24:0),GJCSGDXRDRUPGA-NOOMALMASA-N
HMDB11330,853.692440943,C50H96NO7P,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h20-23,42,45,49H,6-19,24-41,43-44,46-48H2,1-5H3/b22-20-,23-21-,45-42-/t49-/m1/s1",MHYVCIAEFGWAIU,SKTGCJPMSA,N,PC(P-18:1(9Z)/24:1(15Z)),MHYVCIAEFGWAIU-SKTGCJPMSA-N
HMDB11335,647.488990111,C35H70NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C35H70NO7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30-40-32-34(33-42-44(38,39)41-31-29-36)43-35(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h27,30,34H,3-26,28-29,31-33,36H2,1-2H3,(H,38,39)/b30-27-/t34-/m1/s1",RMKKROAVVNFRJY,CLCWMZMISA,N,PE(P-16:0/14:0),RMKKROAVVNFRJY-CLCWMZMISA-N
HMDB11336,645.473340047,C35H68NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C35H68NO7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30-40-32-34(33-42-44(38,39)41-31-29-36)43-35(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12,27,30,34H,3-9,11,13-26,28-29,31-33,36H2,1-2H3,(H,38,39)/b12-10-,30-27-/t34-/m1/s1",BEOOYKHWLKFXRC,IEGLPGIQSA,N,PE(P-16:0/14:1(9Z)),BEOOYKHWLKFXRC-IEGLPGIQSA-N
HMDB11337,661.504640175,C36H72NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C36H72NO7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-41-33-35(34-43-45(39,40)42-32-30-37)44-36(38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h28,31,35H,3-27,29-30,32-34,37H2,1-2H3,(H,39,40)/b31-28-/t35-/m1/s1",AQXKZUUCJYGHMB,HWZZGRHZSA,N,PE(P-16:0/15:0),AQXKZUUCJYGHMB-HWZZGRHZSA-N
HMDB11339,673.504640175,C37H72NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,29,32,36H,3-13,15,17-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b16-14-,32-29-/t36-/m1/s1",QXSTVVHZCWJIBU,LSHIAAAISA,N,PE(P-16:0/16:1(9Z)),QXSTVVHZCWJIBU-LSHIAAAISA-N
HMDB11340,703.551590367,C39H78NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1",UQIDVGMGKVCWIS,WBXWDXDJSA,N,PE(P-16:0/18:0),UQIDVGMGKVCWIS-WBXWDXDJSA-N
HMDB11341,701.535940303,C39H76NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,31,34,38H,3-12,14,16-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,34-31-/t38-/m1/s1",IMGJLLXZPUDFFN,NHGOJEJISA,N,PEP-16:0/18:1(11Z)),IMGJLLXZPUDFFN-NHGOJEJISA-N
HMDB11342,701.535940303,C39H76NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,31,34,38H,3-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b19-17-,34-31-/t38-/m1/s1",ZVVYJAAMWXATNY,PRWZWGSOSA,N,PE(P-16:0/18:1(9Z)),ZVVYJAAMWXATNY-PRWZWGSOSA-N
HMDB11343,699.520290239,C39H74NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,34,38H,3-10,12,14-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b13-11-,19-17-,34-31-/t38-/m1/s1",LJVXDBWIBQQKFU,CCJYEBHUSA,N,"PE(P-16:0/18:2(9Z,12Z))",LJVXDBWIBQQKFU-CCJYEBHUSA-N
HMDB11344,697.504640175,C39H72NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,31,34,38H,3-10,12,14-16,18,20-21,23,25-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b13-11-,19-17-,24-22-,34-31-/t38-/m1/s1",WRZDJXWVCWBDKR,KDBKAMDRSA,N,"PE(P-16:0/18:3(6Z,9Z,12Z))",WRZDJXWVCWBDKR-KDBKAMDRSA-N
HMDB11345,697.504640175,C39H72NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,31,34,38H,3-4,6,8-10,12,14-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b7-5-,13-11-,19-17-,34-31-/t38-/m1/s1",JQPTULZAOQKFIC,PUYTUHGOSA,N,"PE(P-16:0/18:3(9Z,12Z,15Z))",JQPTULZAOQKFIC-PUYTUHGOSA-N
HMDB11346,695.488990111,C39H70NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H70NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,31,34,38H,3-4,6,8-10,12,14-16,18,20-21,23,25-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b7-5-,13-11-,19-17-,24-22-,34-31-/t38-/m1/s1",RPIOMMNBCCDDPN,AZQXHMFSSA,N,"PE(P-16:0/18:4(6Z,9Z,12Z,15Z))",RPIOMMNBCCDDPN-AZQXHMFSSA-N
HMDB11347,731.582890495,C41H82NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C41H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h33,36,40H,3-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b36-33-/t40-/m1/s1",LGFRBARRRZCSBV,DZGZMTAISA,N,PE(P-16:0/20:0),LGFRBARRRZCSBV-DZGZMTAISA-N
HMDB11348,729.567240431,C41H80NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,33,36,40H,3-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,36-33-/t40-/m1/s1",MFRYWKSWYSTLOB,KHFVPPDWSA,N,PE(P-16:0/20:1(11Z)),MFRYWKSWYSTLOB-KHFVPPDWSA-N
HMDB11349,727.551590367,C41H78NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,33,36,40H,3-10,12,14-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,36-33-/t40-/m1/s1",NRDJGXANLABPHN,YKKPZWMYSA,N,"PE(P-16:0/20:2(11Z,14Z))",NRDJGXANLABPHN-YKKPZWMYSA-N
HMDB11350,725.535940303,C41H76NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,21-22,26,28,33,36,40H,3-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,22-21-,28-26-,36-33-/t40-/m1/s1",PZHIMIDEOMNPDX,OVKADEIYSA,N,"PE(P-16:0/20:3(5Z,8Z,11Z))",PZHIMIDEOMNPDX-OVKADEIYSA-N
HMDB11351,725.535940303,C41H76NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,33,36,40H,3-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,36-33-/t40-/m1/s1",OFLIDIBZDKQXPD,UKFMZXQISA,N,"PE(P-16:0/20:3(8Z,11Z,14Z))",OFLIDIBZDKQXPD-UKFMZXQISA-N
HMDB11352,723.520290239,C41H74NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,33,36,40H,3-10,12,14-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,28-26-,36-33-/t40-/m1/s1",UUYSKERSKRMYME,MAIXUNBTSA,N,"PE(P-16:0/20:4(5Z,8Z,11Z,14Z))",UUYSKERSKRMYME-MAIXUNBTSA-N
HMDB11353,723.520290239,C41H74NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,33,36,40H,3-4,6,8-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b7-5-,13-11-,19-17-,22-21-,36-33-/t40-/m1/s1",YITZQGLIICATLN,BUODQXDTSA,N,"PE(P-16:0/20:4(8Z,11Z,14Z,17Z))",YITZQGLIICATLN-BUODQXDTSA-N
HMDB11354,721.504640175,C41H72NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,33,36,40H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b7-5-,13-11-,19-17-,22-21-,28-26-,36-33-/t40-/m1/s1",RLLOITCRNQRGJD,DFAKUSJGSA,N,"PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))",RLLOITCRNQRGJD-DFAKUSJGSA-N
HMDB11355,759.614190623,C43H86NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H86NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h35,38,42H,3-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b38-35-/t42-/m1/s1",INIDTPCUHFMQHT,PVPDQLFYSA,N,PE(P-16:0/22:0),INIDTPCUHFMQHT-PVPDQLFYSA-N
HMDB11356,757.598540559,C43H84NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1",OSDKOUUHCQCQEG,HBHQMZOPSA,N,PE(P-16:0/22:1(13Z)),OSDKOUUHCQCQEG-HBHQMZOPSA-N
HMDB11357,755.582890495,C43H82NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,35,38,42H,3-10,12,14-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,38-35-/t42-/m1/s1",LYFMZJCIGLZMJF,IRSYNFPBSA,N,"PE(P-16:0/22:2(13Z,16Z))",LYFMZJCIGLZMJF-IRSYNFPBSA-N
HMDB11358,751.551590367,C43H78NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24,26,35,38,42H,3-10,12,14-16,18,20,23,25,27-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,22-21-,26-24-,38-35-/t42-/m1/s1",KHJSJYFSBVDACH,LNCIMUPZSA,N,"PE(P-16:0/22:4(7Z,10Z,13Z,16Z))",KHJSJYFSBVDACH-LNCIMUPZSA-N
HMDB11359,749.535940303,C43H76NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24,26,30,32,35,38,42H,3-10,12,14-16,18,20,23,25,27-29,31,33-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,22-21-,26-24-,32-30-,38-35-/t42-/m1/s1",IRRKKHCAJLHSJE,LTQGKFCESA,N,"PE(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z))",IRRKKHCAJLHSJE-LTQGKFCESA-N
HMDB11360,749.535940303,C43H76NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,35,38,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,22-21-,26-24-,38-35-/t42-/m1/s1",GZEZURLIXRQSDE,XZJBHEGYSA,N,"PE(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z))",GZEZURLIXRQSDE-XZJBHEGYSA-N
HMDB11362,787.645490751,C45H90NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H90NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h37,40,44H,3-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b40-37-/t44-/m1/s1",ZJBRQJRYSJPONW,AZRNAUBQSA,N,PE(P-16:0/24:0),ZJBRQJRYSJPONW-AZRNAUBQSA-N
HMDB11363,785.629840687,C45H88NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1",PSGPQAIDXQFVRV,NAPHWOKNSA,N,PE(P-16:0/24:1(15Z)),PSGPQAIDXQFVRV-NAPHWOKNSA-N
HMDB11368,675.520290239,C37H74NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1",ALQGHGHEYLXWFN,PXOIRPRXSA,N,PE(P-18:0/14:0),ALQGHGHEYLXWFN-PXOIRPRXSA-N
HMDB11369,673.504640175,C37H72NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12,29,32,36H,3-9,11,13-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,32-29-/t36-/m1/s1",SDGASXMUFWBKKB,FHMJPHBHSA,N,PE(P-18:0/14:1(9Z)),SDGASXMUFWBKKB-FHMJPHBHSA-N
HMDB11370,689.535940303,C38H76NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39)46-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h30,33,37H,3-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b33-30-/t37-/m1/s1",NSTZSTAULFBDON,APMJBGCSSA,N,PE(P-18:0/15:0),NSTZSTAULFBDON-APMJBGCSSA-N
HMDB11371,703.551590367,C39H78NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1",HEASGCOZOMIKFU,WBXWDXDJSA,N,PE(P-18:0/16:0),HEASGCOZOMIKFU-WBXWDXDJSA-N
HMDB11372,701.535940303,C39H76NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16,31,34,38H,3-13,15,17-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b16-14-,34-31-/t38-/m1/s1",NHHCZYWVBRHSSB,KHOLRTNESA,N,PE(P-18:0/16:1(9Z)),NHHCZYWVBRHSSB-KHOLRTNESA-N
HMDB11373,731.582890495,C41H82NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36,40H,3-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b36-33-/t40-/m1/s1",PUIDBOSHDUSBPJ,DZGZMTAISA,N,PE(dm18:0/18:0),PUIDBOSHDUSBPJ-DZGZMTAISA-N
HMDB11374,729.567240431,C41H80NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,33,36,40H,3-13,15,17-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b16-14-,36-33-/t40-/m1/s1",HUHQLMQCUTXEIJ,SSTBVQCHSA,N,PE(dm18:0/18:1(11Z)),HUHQLMQCUTXEIJ-SSTBVQCHSA-N
HMDB11375,729.567240431,C41H80NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,36,40H,3-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b20-18-,36-33-/t40-/m1/s1",XVYPOHCSLJZFED,QZEVRULJSA,N,PE(P-18:0/18:1(9Z)),XVYPOHCSLJZFED-QZEVRULJSA-N
HMDB11376,727.551590367,C41H78NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,33,36,40H,3-11,13,15-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,20-18-,36-33-/t40-/m1/s1",XVXISDREVDGQPX,PISDLAQISA,N,"PE(P-18:0/18:2(9Z,12Z))",XVXISDREVDGQPX-PISDLAQISA-N
HMDB11377,725.535940303,C41H76NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,33,36,40H,3-11,13,15-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,20-18-,26-24-,36-33-/t40-/m1/s1",NTEKQOAMQWDARG,GMDHOFCPSA,N,"PE(P-18:0/18:3(6Z,9Z,12Z))",NTEKQOAMQWDARG-GMDHOFCPSA-N
HMDB11378,725.535940303,C41H76NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,33,36,40H,3-5,7,9-11,13,15-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,20-18-,36-33-/t40-/m1/s1",HPHHFTRFOIRIAI,AMYUOJRJSA,N,"PE(P-18:0/18:3(9Z,12Z,15Z))",HPHHFTRFOIRIAI-AMYUOJRJSA-N
HMDB11379,723.520290239,C41H74NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,33,36,40H,3-5,7,9-11,13,15-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,20-18-,26-24-,36-33-/t40-/m1/s1",DPYGCLWDLYJMIH,PEAVDLQLSA,N,"PE(P-18:0/18:4(6Z,9Z,12Z,15Z))",DPYGCLWDLYJMIH-PEAVDLQLSA-N
HMDB11380,759.614190623,C43H86NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h35,38,42H,3-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b38-35-/t42-/m1/s1",ALJUYAAJNSNTHU,PVPDQLFYSA,N,PE(P-18:0/20:0),ALJUYAAJNSNTHU-PVPDQLFYSA-N
HMDB11381,757.598540559,C43H84NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1",HXUHHWPZGOIBGO,HBHQMZOPSA,N,PE(P-18:0/20:1(11Z)),HXUHHWPZGOIBGO-HBHQMZOPSA-N
HMDB11382,755.582890495,C43H82NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,35,38,42H,3-10,12,14-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,38-35-/t42-/m1/s1",HLSDKIUXCZPFLL,IRSYNFPBSA,N,"PE(P-18:0/20:2(11Z,14Z))",HLSDKIUXCZPFLL-IRSYNFPBSA-N
HMDB11383,753.567240431,C43H80NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,35,38,42H,3-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",CPDVNQFVCLXOCQ,FTHMHTRFSA,N,"PE(P-18:0/20:3(5Z,8Z,11Z))",CPDVNQFVCLXOCQ-FTHMHTRFSA-N
HMDB11384,753.567240431,C43H80NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,35,38,42H,3-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,24-22-,38-35-/t42-/m1/s1",AFHNYJFSTNQXTK,MTROFRMRSA,N,"PE(P-18:0/20:3(8Z,11Z,14Z))",AFHNYJFSTNQXTK-MTROFRMRSA-N
HMDB11386,751.551590367,C43H78NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,35,38,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,24-22-,38-35-/t42-/m1/s1",ZTZQZGHJLWFLFQ,VZBWJDOASA,N,"PE(P-18:0/20:4(8Z,11Z,14Z,17Z))",ZTZQZGHJLWFLFQ-VZBWJDOASA-N
HMDB11387,749.535940303,C43H76NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,35,38,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",KCNBSSYOJRUKOM,JALPNNRCSA,N,"PE(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",KCNBSSYOJRUKOM-JALPNNRCSA-N
HMDB11388,787.645490751,C45H90NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h37,40,44H,3-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b40-37-/t44-/m1/s1",BSHHCPATECINMP,AZRNAUBQSA,N,PE(P-18:0/22:0),BSHHCPATECINMP-AZRNAUBQSA-N
HMDB11389,785.629840687,C45H88NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1",RKRYLPRHFNWQBD,NAPHWOKNSA,N,PE(P-18:0/22:1(13Z)),RKRYLPRHFNWQBD-NAPHWOKNSA-N
HMDB11390,783.614190623,C45H86NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40,44H,3-10,12,14-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,40-37-/t44-/m1/s1",WOSDZWBQBJHAMR,NOQLVGMBSA,N,"PE(P-18:0/22:2(13Z,16Z))",WOSDZWBQBJHAMR-NOQLVGMBSA-N
HMDB11391,779.582890495,C45H82NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26,28,37,40,44H,3-10,12,14-16,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1",TVTRPEJBOGUHBJ,IKHSQHJKSA,N,"PE(P-18:0/22:4(7Z,10Z,13Z,16Z))",TVTRPEJBOGUHBJ-IKHSQHJKSA-N
HMDB11392,777.567240431,C45H80NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26,28,32,34,37,40,44H,3-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",HHQFKPJXVYWLLJ,ABYSKWQHSA,N,"PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",HHQFKPJXVYWLLJ-ABYSKWQHSA-N
HMDB11393,777.567240431,C45H80NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,37,40,44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1",QIJJGYHBXLEBJV,MVCMTJSTSA,N,"PE(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",QIJJGYHBXLEBJV-MVCMTJSTSA-N
HMDB11394,775.551590367,C45H78NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",FIJFPUAJUDAZEY,MNDXXDKYSA,N,"PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FIJFPUAJUDAZEY-MNDXXDKYSA-N
HMDB11395,815.676790879,C47H94NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H94NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h39,42,46H,3-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b42-39-/t46-/m1/s1",INMHMTJOIRYKJZ,SUCXLRAGSA,N,PE(P-18:0/24:0),INMHMTJOIRYKJZ-SUCXLRAGSA-N
HMDB11396,813.661140815,C47H92NO7P,[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h17,19,39,42,46H,3-16,18,20-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b19-17-,42-39-/t46-/m1/s1",VDOJHBVPBYNDPO,ROGYXVMDSA,N,PE(P-18:0/24:1(15Z)),VDOJHBVPBYNDPO-ROGYXVMDSA-N
HMDB11401,673.504640175,C37H72NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h13,15,29,32,36H,3-12,14,16-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b15-13-,32-29-/t36-/m1/s1",GTGGXZYFNRKZJC,AOXBWRSQSA,N,PE(P-18:1(11Z)/14:0),GTGGXZYFNRKZJC-AOXBWRSQSA-N
HMDB11402,671.488990111,C37H70NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H70NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12-13,15,29,32,36H,3-9,11,14,16-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,15-13-,32-29-/t36-/m1/s1",DJORWPVYAPVWRD,WTTKYJQQSA,N,PE(P-18:1(11Z)/14:1(9Z)),DJORWPVYAPVWRD-WTTKYJQQSA-N
HMDB11403,687.520290239,C38H74NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39)46-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13,15,30,33,37H,3-12,14,16-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b15-13-,33-30-/t37-/m1/s1",FBIUBIPLMORKCV,MWXRYAQWSA,N,PE(P-18:1(11Z)/15:0),FBIUBIPLMORKCV-MWXRYAQWSA-N
HMDB11404,701.535940303,C39H76NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,31,34,38H,3-12,14,16-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,34-31-/t38-/m1/s1",MYXWLPFBAVVSPF,NHGOJEJISA,N,PE(P-18:1(11Z)/16:0),MYXWLPFBAVVSPF-NHGOJEJISA-N
HMDB11405,699.520290239,C39H74NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13-16,31,34,38H,3-12,17-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,16-14-,34-31-/t38-/m1/s1",VOXTUTPXXDMGBT,KTHSIHKKSA,N,PE(P-18:1(11Z)/16:1(9Z)),VOXTUTPXXDMGBT-KTHSIHKKSA-N
HMDB11406,729.567240431,C41H80NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33,36,40H,3-12,14,16-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,36-33-/t40-/m1/s1",WCSDULLQTPYJFU,CSASKLPHSA,N,PE(P-18:1(11Z)/18:0),WCSDULLQTPYJFU-CSASKLPHSA-N
HMDB11407,727.551590367,C41H78NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36,40H,3-12,17-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,16-14-,36-33-/t40-/m1/s1",URRCZPXKAKNTHV,NZWMGPRYSA,N,PE(P-18:1(11Z)/18:1(11Z)),URRCZPXKAKNTHV-NZWMGPRYSA-N
HMDB11408,727.551590367,C41H78NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,33,36,40H,3-12,14,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,20-18-,36-33-/t40-/m1/s1",VXAQICWVKHYAOM,LQNIOAHJSA,N,PE(P-18:1(11Z)/18:1(9Z)),VXAQICWVKHYAOM-LQNIOAHJSA-N
HMDB11409,725.535940303,C41H76NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,33,36,40H,3-11,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,15-13-,20-18-,36-33-/t40-/m1/s1",FAYPJOANJXGJTO,LIWWULAASA,N,"PE(P-18:1(11Z)/18:2(9Z,12Z))",FAYPJOANJXGJTO-LIWWULAASA-N
HMDB11410,723.520290239,C41H74NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,33,36,40H,3-11,16-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,15-13-,20-18-,26-24-,36-33-/t40-/m1/s1",ADWDFBQPQIEGRZ,XBICFDGKSA,N,"PE(P-18:1(11Z)/18:3(6Z,9Z,12Z))",ADWDFBQPQIEGRZ-XBICFDGKSA-N
HMDB11411,723.520290239,C41H74NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,33,36,40H,3-5,7,9-11,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,15-13-,20-18-,36-33-/t40-/m1/s1",ZSBRERKYIBGRSV,GPCLIJNSSA,N,"PE(P-18:1(11Z)/18:3(9Z,12Z,15Z))",ZSBRERKYIBGRSV-GPCLIJNSSA-N
HMDB11412,721.504640175,C41H72NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,24,26,33,36,40H,3-5,7,9-11,16-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,15-13-,20-18-,26-24-,36-33-/t40-/m1/s1",LHPRKWVAIRUBBR,KQNMAQKCSA,N,"PE(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",LHPRKWVAIRUBBR-KQNMAQKCSA-N
HMDB11413,757.598540559,C43H84NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,35,38,42H,3-13,15,17-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,38-35-/t42-/m1/s1",QEDROTQEMCQUNE,QSKLCZHJSA,N,PE(P-18:1(11Z)/20:0),QEDROTQEMCQUNE-QSKLCZHJSA-N
HMDB11414,755.582890495,C43H82NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,35,38,42H,3-13,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,19-17-,38-35-/t42-/m1/s1",VQMPZNPOSKPGTN,CGPNWZOFSA,N,PE(P-18:1(11Z)/20:1(11Z)),VQMPZNPOSKPGTN-CGPNWZOFSA-N
HMDB11415,753.567240431,C43H80NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,35,38,42H,3-10,12,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,38-35-/t42-/m1/s1",BUWCJGAAJOIOQB,CCWLTMEVSA,N,"PE(P-18:1(11Z)/20:2(11Z,14Z))",BUWCJGAAJOIOQB-CCWLTMEVSA-N
HMDB11416,751.551590367,C43H78NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,35,38,42H,3-13,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",YJEWECCYVUBXCZ,PWQUOMSQSA,N,"PE(P-18:1(11Z)/20:3(5Z,8Z,11Z))",YJEWECCYVUBXCZ-PWQUOMSQSA-N
HMDB11417,751.551590367,C43H78NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,35,38,42H,3-10,12,15,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,24-22-,38-35-/t42-/m1/s1",MKPCPKZFAQUSTO,FWNCOMTNSA,N,"PE(P-18:1(11Z)/20:3(8Z,11Z,14Z))",MKPCPKZFAQUSTO-FWNCOMTNSA-N
HMDB11418,749.535940303,C43H76NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,35,38,42H,3-10,12,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",NQBYEBBBKQZTKT,SXDACRMGSA,N,"PE(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",NQBYEBBBKQZTKT-SXDACRMGSA-N
HMDB11419,749.535940303,C43H76NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,35,38,42H,3-4,6,8-10,12,15,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,16-14-,19-17-,24-22-,38-35-/t42-/m1/s1",QPIQFEOQVODTGV,CYPZFAGSSA,N,"PE(P-18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",QPIQFEOQVODTGV-CYPZFAGSSA-N
HMDB11420,747.520290239,C43H74NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,35,38,42H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1",RDLRIZLZWSNORN,FSOAWXQVSA,N,"PE(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RDLRIZLZWSNORN-FSOAWXQVSA-N
HMDB11421,785.629840687,C45H88NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16,37,40,44H,3-13,15,17-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,40-37-/t44-/m1/s1",RXMVMMJIJMLSRI,NFZDIMHLSA,N,PE(P-18:1(11Z)/22:0),RXMVMMJIJMLSRI-NFZDIMHLSA-N
HMDB11422,783.614190623,C45H86NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40,44H,3-13,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,19-17-,40-37-/t44-/m1/s1",QYGMHJDVJZINLT,YLDKWXJFSA,N,PE(P-18:1(11Z)/22:1(13Z)),QYGMHJDVJZINLT-YLDKWXJFSA-N
HMDB11423,781.598540559,C45H84NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,37,40,44H,3-10,12,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,40-37-/t44-/m1/s1",MYDAVUXDFNNDHX,XAGFNEJISA,N,"PE(P-18:1(11Z)/22:2(13Z,16Z))",MYDAVUXDFNNDHX-XAGFNEJISA-N
HMDB11424,777.567240431,C45H80NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,26,28,37,40,44H,3-10,12,15,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1",DZPHTQGGRSWHLG,USOCFQKQSA,N,"PE(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",DZPHTQGGRSWHLG-USOCFQKQSA-N
HMDB11425,775.551590367,C45H78NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,26,28,32,34,37,40,44H,3-10,12,15,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",FTSKHGJWLNUZOB,RCWWZEBWSA,N,"PE(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FTSKHGJWLNUZOB-RCWWZEBWSA-N
HMDB11426,775.551590367,C45H78NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,26,28,37,40,44H,3-4,6,8-10,12,15,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,16-14-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1",KDXMXWCPOUBKJJ,GUTIQBPVSA,N,"PE(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KDXMXWCPOUBKJJ-GUTIQBPVSA-N
HMDB11427,773.535940303,C45H76NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,15,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,16-14-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",FWBRUXSXJSMIRC,VJIHGULMSA,N,"PE(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FWBRUXSXJSMIRC-VJIHGULMSA-N
HMDB11428,813.661140815,C47H92NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h14,16,39,42,46H,3-13,15,17-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b16-14-,42-39-/t46-/m1/s1",GBVAJFIGBULPII,RWLNHGTRSA,N,PE(P-18:1(11Z)/24:0),GBVAJFIGBULPII-RWLNHGTRSA-N
HMDB11429,811.645490751,C47H90NO7P,[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42,46H,3-13,15,18,20-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b16-14-,19-17-,42-39-/t46-/m1/s1",KUJJOMSCJCRRTF,BDWKZNQPSA,N,PE(P-18:1(11Z)/24:1(15Z)),KUJJOMSCJCRRTF-BDWKZNQPSA-N
HMDB11434,673.504640175,C37H72NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17,29,32,36H,3-15,18-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b17-16-,32-29-/t36-/m1/s1",IOHZRULUOZSNIU,BOYFLGGYSA,N,PE(P-18:1(9Z)/14:0),IOHZRULUOZSNIU-BOYFLGGYSA-N
HMDB11435,671.488990111,C37H70NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C37H70NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12,16-17,29,32,36H,3-9,11,13-15,18-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,17-16-,32-29-/t36-/m1/s1",WJIJUTTUZSJYQW,LWZUAZIBSA,N,PE(P-18:1(9Z)/14:1(9Z)),WJIJUTTUZSJYQW-LWZUAZIBSA-N
HMDB11436,687.520290239,C38H74NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39)46-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,30,33,37H,3-16,19-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b18-17-,33-30-/t37-/m1/s1",CSDNSXOLBRIOIG,AKQNLXICSA,N,PE(P-18:1(9Z)/15:0),CSDNSXOLBRIOIG-AKQNLXICSA-N
HMDB11437,701.535940303,C39H76NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,31,34,38H,3-16,19-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b18-17-,34-31-/t38-/m1/s1",ZOSSFCIAXYNTHL,CSTBBDSDSA,N,PE(P-18:1(9Z)/16:0),ZOSSFCIAXYNTHL-CSTBBDSDSA-N
HMDB11438,699.520290239,C39H74NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16-18,31,34,38H,3-13,15,19-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b16-14-,18-17-,34-31-/t38-/m1/s1",LALFTIIBOJSVNP,OBEJFMRTSA,N,PE(P-18:1(9Z)/16:1(9Z)),LALFTIIBOJSVNP-OBEJFMRTSA-N
HMDB11439,729.567240431,C41H80NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,33,36,40H,3-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,36-33-/t40-/m1/s1",OBAAWAYLQLYWNN,KHFVPPDWSA,N,PE(P-18:1(9Z)/18:0),OBAAWAYLQLYWNN-KHFVPPDWSA-N
HMDB11440,727.551590367,C41H78NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,33,36,40H,3-13,15,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b16-14-,19-17-,36-33-/t40-/m1/s1",CCSPRYPUMQZSKU,UJUPZVJJSA,N,PE(P-18:1(9Z)/18:1(11Z)),CCSPRYPUMQZSKU-UJUPZVJJSA-N
HMDB11441,727.551590367,C41H78NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33,36,40H,3-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,20-18-,36-33-/t40-/m1/s1",CFANDHZPOSNKNO,UDHSZFGOSA,N,PE(P-18:1(9Z)/18:1(9Z)),CFANDHZPOSNKNO-UDHSZFGOSA-N
HMDB11442,725.535940303,C41H76NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,33,36,40H,3-11,13,15-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,19-17-,20-18-,36-33-/t40-/m1/s1",ULUBTSXVFBWWEF,MFTBTGPPSA,N,"PE(P-18:1(9Z)/18:2(9Z,12Z))",ULUBTSXVFBWWEF-MFTBTGPPSA-N
HMDB11443,723.520290239,C41H74NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,33,36,40H,3-11,13,15-16,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,19-17-,20-18-,26-24-,36-33-/t40-/m1/s1",SPQOYUSSQMRMLS,FWMGDSTOSA,N,"PE(P-18:1(9Z)/18:3(6Z,9Z,12Z))",SPQOYUSSQMRMLS-FWMGDSTOSA-N
HMDB11444,723.520290239,C41H74NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,33,36,40H,3-5,7,9-11,13,15-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,19-17-,20-18-,36-33-/t40-/m1/s1",STHRAJSHLSPGOC,WCQFIOJXSA,N,"PE(P-18:1(9Z)/18:3(9Z,12Z,15Z))",STHRAJSHLSPGOC-WCQFIOJXSA-N
HMDB11445,721.504640175,C41H72NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,33,36,40H,3-5,7,9-11,13,15-16,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,19-17-,20-18-,26-24-,36-33-/t40-/m1/s1",JBVAFJJGDDAIOA,DMJZECDSSA,N,"PE(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",JBVAFJJGDDAIOA-DMJZECDSSA-N
HMDB11446,757.598540559,C43H84NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,35,38,42H,3-17,19,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b20-18-,38-35-/t42-/m1/s1",BOIHDLQLPRODPV,PFGXKIITSA,N,PE(P-18:1(9Z)/20:0),BOIHDLQLPRODPV-PFGXKIITSA-N
HMDB11447,755.582890495,C43H82NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,35,38,42H,3-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,20-18-,38-35-/t42-/m1/s1",CJTMZOOUZQGAPV,WLKREVAWSA,N,PE(P-18:1(9Z)/20:1(11Z)),CJTMZOOUZQGAPV-WLKREVAWSA-N
HMDB11448,753.567240431,C43H80NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,35,38,42H,3-10,12,14-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,38-35-/t42-/m1/s1",LNMUSWRRUGLGJT,ZTCNOODVSA,N,"PE(P-18:1(9Z)/20:2(11Z,14Z))",LNMUSWRRUGLGJT-ZTCNOODVSA-N
HMDB11449,751.551590367,C43H78NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,22,24,28,30,35,38,42H,3-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1",RPUWJMQATPICRU,OBYIALEPSA,N,"PE(P-18:1(9Z)/20:3(5Z,8Z,11Z))",RPUWJMQATPICRU-OBYIALEPSA-N
HMDB11450,793.598540559,C46H84NO7P,CCCCCCCC\C=C/CCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,38,41,45H,6-13,15,17-19,24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,41-38-",MTMYCMNVROYPNG,YLKVZILBSA,N,"PE(P-18:1(9Z)/20:3(8Z,11Z,14Z))",MTMYCMNVROYPNG-YLKVZILBSA-N
HMDB11451,749.535940303,C43H76NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,35,38,42H,3-10,12,14-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1",XWVCHGXTKMKQBL,OKBRKQIJSA,N,"PE(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",XWVCHGXTKMKQBL-OKBRKQIJSA-N
HMDB11452,749.535940303,C43H76NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,35,38,42H,3-4,6,8-10,12,14-16,21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,20-18-,24-22-,38-35-/t42-/m1/s1",UIOPUEZHKHUYIV,ZAJUHDLGSA,N,"PE(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",UIOPUEZHKHUYIV-ZAJUHDLGSA-N
HMDB11453,747.520290239,C43H74NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,35,38,42H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1",VGXSEFHXUNWPHA,NUKAGXKOSA,N,"PE(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VGXSEFHXUNWPHA-NUKAGXKOSA-N
HMDB11454,785.629840687,C45H88NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,37,40,44H,3-17,19,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b20-18-,40-37-/t44-/m1/s1",GKCIYEJHTDLHLE,DUUARSBJSA,N,PE(P-18:1(9Z)/22:0),GKCIYEJHTDLHLE-DUUARSBJSA-N
HMDB11455,783.614190623,C45H86NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,37,40,44H,3-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,20-18-,40-37-/t44-/m1/s1",GHZVEINRKWBYNY,XZSHZUORSA,N,PE(P-18:1(9Z)/22:1(13Z)),GHZVEINRKWBYNY-XZSHZUORSA-N
HMDB11456,781.598540559,C45H84NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40,44H,3-10,12,14-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,40-37-/t44-/m1/s1",BXVNKNPBDPDLQM,IIBIWEDCSA,N,"PE(P-18:1(9Z)/22:2(13Z,16Z))",BXVNKNPBDPDLQM-IIBIWEDCSA-N
HMDB11457,777.567240431,C45H80NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22-23,26,28,37,40,44H,3-10,12,14-16,21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,23-22-,28-26-,40-37-/t44-/m1/s1",PQEYJXRJLFZSPT,ZGMVDJDGSA,N,"PE(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",PQEYJXRJLFZSPT-ZGMVDJDGSA-N
HMDB11458,775.551590367,C45H78NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22-23,26,28,32,34,37,40,44H,3-10,12,14-16,21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",RTZFALGODZAJHO,UROQQLRXSA,N,"PE(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RTZFALGODZAJHO-UROQQLRXSA-N
HMDB11459,775.551590367,C45H78NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,26,28,37,40,44H,3-4,6,8-10,12,14-16,21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,20-18-,23-22-,28-26-,40-37-/t44-/m1/s1",MERDTQWSAMFCRO,GTTJCIGDSA,N,"PE(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MERDTQWSAMFCRO-GTTJCIGDSA-N
HMDB11460,773.535940303,C45H76NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,14-16,21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,20-18-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1",UKPNUUDYLNCIOE,IZHHWLPXSA,N,"PE(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UKPNUUDYLNCIOE-IZHHWLPXSA-N
HMDB11461,813.661140815,C47H92NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h18,20,39,42,46H,3-17,19,21-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b20-18-,42-39-/t46-/m1/s1",KZXAUVZMKNTPPV,RZMAMCSTSA,N,PE(P-18:1(9Z)/24:0),KZXAUVZMKNTPPV-RZMAMCSTSA-N
HMDB11462,811.645490751,C47H90NO7P,[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h17-20,39,42,46H,3-16,21-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b19-17-,20-18-,42-39-/t46-/m1/s1",WZSBOLQZJTUGHD,BRXUZWRZSA,N,PE(P-18:1(9Z)/24:1(15Z)),WZSBOLQZJTUGHD-BRXUZWRZSA-N
HMDB11469,74.073164942,C4H10O,CCC(C)O,"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3",BTANRVKWQNVYAZ,UHFFFAOYSA,N,2-Butanol,BTANRVKWQNVYAZ-UHFFFAOYSA-N
HMDB11470,425.254239151,C19H40NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)27-18(16-21)17-26-28(23,24)25-15-14-20/h18,21H,2-17,20H2,1H3,(H,23,24)/t18-/m1/s1",DDUZNLUWXLYPCP,GOSISDBHSA,N,LysoPE(0:0/14:0),DDUZNLUWXLYPCP-GOSISDBHSA-N
HMDB11471,423.238589087,C19H38NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)27-18(16-21)17-26-28(23,24)25-15-14-20/h5-6,18,21H,2-4,7-17,20H2,1H3,(H,23,24)/b6-5-/t18-/m1/s1",OMFJMHRPSFBIAJ,OOFWQKGWSA,N,LysoPE(0:0/14:1(9Z)),OMFJMHRPSFBIAJ-OOFWQKGWSA-N
HMDB11472,439.269889215,C20H42NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C20H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(23)28-19(17-22)18-27-29(24,25)26-16-15-21/h19,22H,2-18,21H2,1H3,(H,24,25)/t19-/m1/s1",GIUNBNKDUHWVHI,LJQANCHMSA,N,LysoPE(0:0/15:0),GIUNBNKDUHWVHI-LJQANCHMSA-N
HMDB11473,453.285539279,C21H44NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1",CKPBBEOJHAPPBT,HXUWFJFHSA,N,LysoPE(0:0/16:0),CKPBBEOJHAPPBT-HXUWFJFHSA-N
HMDB11474,451.269889215,C21H42NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26)/b8-7-/t20-/m1/s1",MAFRHGZTIOAXEL,WHXUGTBJSA,N,LysoPE(0:0/16:1(9Z)),MAFRHGZTIOAXEL-WHXUGTBJSA-N
HMDB11475,479.301189343,C23H46NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h7-8,22,25H,2-6,9-21,24H2,1H3,(H,27,28)/b8-7-/t22-/m1/s1",CZYOFWNORPEFDG,KOIKXXGWSA,N,LysoPE(0:0/18:1(11Z)),CZYOFWNORPEFDG-KOIKXXGWSA-N
HMDB11476,479.301189343,C23H46NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",NOVZJYYJYIFXJC,MZMPXXGTSA,N,LysoPE(0:0/18:1(9Z)),NOVZJYYJYIFXJC-MZMPXXGTSA-N
HMDB11477,477.285539279,C23H44NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",SVRBKLJIDJHADS,USWSLJGRSA,N,"LysoPE(0:0/18:2(9Z,12Z))",SVRBKLJIDJHADS-USWSLJGRSA-N
HMDB11478,475.269889215,C23H42NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h6-7,9-10,12-13,22,25H,2-5,8,11,14-21,24H2,1H3,(H,27,28)/b7-6-,10-9-,13-12-/t22-/m1/s1",QYXNIRQICOBIAE,CSLWLMPESA,N,"LysoPE(0:0/18:3(6Z,9Z,12Z))",QYXNIRQICOBIAE-CSLWLMPESA-N
HMDB11479,475.269889215,C23H42NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h3-4,6-7,9-10,22,25H,2,5,8,11-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-/t22-/m1/s1",JGWWMNVPHKMUCV,WOBXFXBNSA,N,"LysoPE(0:0/18:3(9Z,12Z,15Z))",JGWWMNVPHKMUCV-WOBXFXBNSA-N
HMDB11480,473.254239151,C23H40NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C23H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h3-4,6-7,9-10,12-13,22,25H,2,5,8,11,14-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-,13-12-/t22-/m1/s1",SYKRNJVTCMUCGF,JVBHARQXSA,N,"LysoPE(0:0/18:4(6Z,9Z,12Z,15Z))",SYKRNJVTCMUCGF-JVBHARQXSA-N
HMDB11481,509.348139535,C25H52NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C25H52NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h24,27H,2-23,26H2,1H3,(H,29,30)/t24-/m1/s1",QEQAJJJSRGAOOG,XMMPIXPASA,N,LysoPE(0:0/20:0),QEQAJJJSRGAOOG-XMMPIXPASA-N
HMDB11482,507.332489471,C25H50NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C25H50NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h9-10,24,27H,2-8,11-23,26H2,1H3,(H,29,30)/b10-9-/t24-/m1/s1",DGAUETYRWFLGRT,OPSAWKISSA,N,LysoPE(0:0/20:1(11Z)),DGAUETYRWFLGRT-OPSAWKISSA-N
HMDB11483,505.316839407,C25H48NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C25H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h6-7,9-10,24,27H,2-5,8,11-23,26H2,1H3,(H,29,30)/b7-6-,10-9-/t24-/m1/s1",NHBRVTKHMMOYTG,XBJNFHHOSA,N,"LysoPE(0:0/20:2(11Z,14Z))",NHBRVTKHMMOYTG-XBJNFHHOSA-N
HMDB11484,503.301189343,C25H46NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h3-4,6-7,9-10,24,27H,2,5,8,11-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-/t24-/m1/s1",OQKGGFIWKFEWBV,WCABUCBOSA,N,"LysoPE(0:0/20:3(11Z,14Z,17Z))",OQKGGFIWKFEWBV-WCABUCBOSA-N
HMDB11485,503.301189343,C25H46NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h9-10,12-13,15-16,24,27H,2-8,11,14,17-23,26H2,1H3,(H,29,30)/b10-9-,13-12-,16-15-/t24-/m1/s1",FJDVENKXPUIXRG,WMTBOZPISA,N,"LysoPE(0:0/20:3(5Z,8Z,11Z))",FJDVENKXPUIXRG-WMTBOZPISA-N
HMDB11486,503.301189343,C25H46NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h6-7,9-10,12-13,24,27H,2-5,8,11,14-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-/t24-/m1/s1",AKEOFNYGACQDRM,XQCPFYKGSA,N,"LysoPE(0:0/20:3(8Z,11Z,14Z))",AKEOFNYGACQDRM-XQCPFYKGSA-N
HMDB11487,501.285539279,C25H44NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h6-7,9-10,12-13,15-16,24,27H,2-5,8,11,14,17-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-,16-15-/t24-/m1/s1",YWOCITMXHHTBAW,XSQXPFHXSA,N,"LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))",YWOCITMXHHTBAW-XSQXPFHXSA-N
HMDB11488,501.285539279,C25H44NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h3-4,6-7,9-10,12-13,24,27H,2,5,8,11,14-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-/t24-/m1/s1",BAKUYTLDCVITBO,YSKCIPFOSA,N,"LysoPE(0:0/20:4(8Z,11Z,14Z,17Z))",BAKUYTLDCVITBO-YSKCIPFOSA-N
HMDB11489,499.269889215,C25H42NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C25H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h3-4,6-7,9-10,12-13,15-16,24,27H,2,5,8,11,14,17-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-,16-15-/t24-/m1/s1",MMHCCHGAKPRCIO,KOYQJJOGSA,N,"LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))",MMHCCHGAKPRCIO-KOYQJJOGSA-N
HMDB11490,537.379439663,C27H56NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C27H56NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h26,29H,2-25,28H2,1H3,(H,31,32)/t26-/m1/s1",NVLXNEISHNIEBO,AREMUKBSSA,N,LysoPE(0:0/22:0),NVLXNEISHNIEBO-AREMUKBSSA-N
HMDB11491,535.363789599,C27H54NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C27H54NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h9-10,26,29H,2-8,11-25,28H2,1H3,(H,31,32)/b10-9-/t26-/m1/s1",LKQYAECRDPDYTP,RASRKNKNSA,N,LysoPE(0:0/22:1(13Z)),LKQYAECRDPDYTP-RASRKNKNSA-N
HMDB11492,533.348139535,C27H52NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C27H52NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h6-7,9-10,26,29H,2-5,8,11-25,28H2,1H3,(H,31,32)/b7-6-,10-9-/t26-/m1/s1",KZPDUKAMWGOSFG,IPQYAGCOSA,N,"LysoPE(0:0/22:2(13Z,16Z))",KZPDUKAMWGOSFG-IPQYAGCOSA-N
HMDB11493,529.316839407,C27H48NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C27H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h6-7,9-10,12-13,15-16,26,29H,2-5,8,11,14,17-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-/t26-/m1/s1",VLFJNHPNIOTOOA,YMIVKDKMSA,N,"LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))",VLFJNHPNIOTOOA-YMIVKDKMSA-N
HMDB11494,527.301189343,C27H46NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C27H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h6-7,9-10,12-13,15-16,18-19,26,29H,2-5,8,11,14,17,20-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1",ZMHRXVSSWJALGN,GOGKNFEWSA,N,"LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZMHRXVSSWJALGN-GOGKNFEWSA-N
HMDB11495,527.301189343,C27H46NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C27H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h3-4,6-7,9-10,12-13,15-16,26,29H,2,5,8,11,14,17-25,28H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-/t26-/m1/s1",KZXGPOLABXFBDK,SCFYABBUSA,N,"LysoPE(0:0/22:5(7Z,10Z,13Z,16Z,19Z))",KZXGPOLABXFBDK-SCFYABBUSA-N
HMDB11496,525.285539279,C27H44NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C27H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,29H,2,5,8,11,14,17,20-25,28H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1",TWBVHOYVCUOMJY,PAUXXPOVSA,N,"LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",TWBVHOYVCUOMJY-PAUXXPOVSA-N
HMDB11497,565.410739791,C29H60NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C29H60NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)37-28(26-31)27-36-38(33,34)35-25-24-30/h28,31H,2-27,30H2,1H3,(H,33,34)/t28-/m1/s1",BVNCTQAYPBVJJU,MUUNZHRXSA,N,LysoPE(0:0/24:0),BVNCTQAYPBVJJU-MUUNZHRXSA-N
HMDB11498,563.395089727,C29H58NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C29H58NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)37-28(26-31)27-36-38(33,34)35-25-24-30/h9-10,28,31H,2-8,11-27,30H2,1H3,(H,33,34)/b10-9-/t28-/m1/s1",URXBHXIAPOQMMQ,YLUWWHAYSA,N,LysoPE(0:0/24:1(15Z)),URXBHXIAPOQMMQ-YLUWWHAYSA-N
HMDB11499,553.316839407,C29H48NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C29H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)37-28(26-31)27-36-38(33,34)35-25-24-30/h3-4,6-7,9-10,12-13,15-16,18-19,28,31H,2,5,8,11,14,17,20-27,30H2,1H3,(H,33,34)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t28-/m1/s1",FQPLXQPTXKRVQH,RGSQNDLGSA,N,"LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))",FQPLXQPTXKRVQH-RGSQNDLGSA-N
HMDB11500,425.254239151,C19H40NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h18,21H,2-17,20H2,1H3,(H,23,24)/t18-/m1/s1",RPXHXZNGZBHSMJ,GOSISDBHSA,N,LysoPE(14:0/0:0),RPXHXZNGZBHSMJ-GOSISDBHSA-N
HMDB11501,423.238589087,C19H38NO7P,[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCC)COP(O)(=O)OCCN,"InChI=1S/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h5-6,18,21H,2-4,7-17,20H2,1H3,(H,23,24)/b6-5-/t18-/m1/s1",ADNZOMZMSANELY,OOFWQKGWSA,N,LysoPE(14:1(9Z)/0:0),ADNZOMZMSANELY-OOFWQKGWSA-N
HMDB11502,439.269889215,C20H42NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C20H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21/h19,22H,2-18,21H2,1H3,(H,24,25)/t19-/m1/s1",FGHPDPYCRTXYNZ,LJQANCHMSA,N,LysoPE(15:0/0:0),FGHPDPYCRTXYNZ-LJQANCHMSA-N
HMDB11503,453.285539279,C21H44NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1",YVYMBNSKXOXSKW,HXUWFJFHSA,N,LysoPE(16:0/0:0),YVYMBNSKXOXSKW-HXUWFJFHSA-N
HMDB11504,451.269889215,C21H42NO7P,[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCCN,"InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26)/b8-7-/t20-/m1/s1",DSOWUEHXZJUNID,WHXUGTBJSA,N,LysoPE(16:1(9Z)/0:0),DSOWUEHXZJUNID-WHXUGTBJSA-N
HMDB11505,479.301189343,C23H46NO7P,[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCCN,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h7-8,22,25H,2-6,9-21,24H2,1H3,(H,27,28)/b8-7-/t22-/m1/s1",WAYKKNOEMJFLDI,KOIKXXGWSA,N,LysoPE(18:1(11Z)/0:0),WAYKKNOEMJFLDI-KOIKXXGWSA-N
HMDB11506,479.301189343,C23H46NO7P,[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",PYVRVRFVLRNJLY,MZMPXXGTSA,N,LysoPE(18:1(9Z)/0:0),PYVRVRFVLRNJLY-MZMPXXGTSA-N
HMDB11507,477.285539279,C23H44NO7P,[H][C@@](O)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",DBHKHNGBVGWQJE,USWSLJGRSA,N,"LysoPE(18:2(9Z,12Z)/0:0)",DBHKHNGBVGWQJE-USWSLJGRSA-N
HMDB11508,475.269889215,C23H42NO7P,[H][C@@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN,"InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,12-13,22,25H,2-5,8,11,14-21,24H2,1H3,(H,27,28)/b7-6-,10-9-,13-12-/t22-/m1/s1",QULMFYLWLOKODU,CSLWLMPESA,N,"LysoPE(18:3(6Z,9Z,12Z)/0:0)",QULMFYLWLOKODU-CSLWLMPESA-N
HMDB11509,475.269889215,C23H42NO7P,[H][C@@](O)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN,"InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h3-4,6-7,9-10,22,25H,2,5,8,11-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-/t22-/m1/s1",NTBBASCGALPTDC,WOBXFXBNSA,N,"LysoPE(18:3(9Z,12Z,15Z)/0:0)",NTBBASCGALPTDC-WOBXFXBNSA-N
HMDB11510,473.254239151,C23H40NO7P,[H][C@@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN,"InChI=1S/C23H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h3-4,6-7,9-10,12-13,22,25H,2,5,8,11,14-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-,13-12-/t22-/m1/s1",WPGYUFCFBKWCSL,JVBHARQXSA,N,"LysoPE(18:4(6Z,9Z,12Z,15Z)/0:0)",WPGYUFCFBKWCSL-JVBHARQXSA-N
HMDB11511,509.348139535,C25H52NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C25H52NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h24,27H,2-23,26H2,1H3,(H,29,30)/t24-/m1/s1",HEQMDGOBDIGJOC,XMMPIXPASA,N,LysoPE(20:0/0:0),HEQMDGOBDIGJOC-XMMPIXPASA-N
HMDB11512,507.332489471,C25H50NO7P,[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C25H50NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h9-10,24,27H,2-8,11-23,26H2,1H3,(H,29,30)/b10-9-/t24-/m1/s1",JEAGLCKGAKACCE,OPSAWKISSA,N,LysoPE(20:1(11Z)/0:0),JEAGLCKGAKACCE-OPSAWKISSA-N
HMDB11513,505.316839407,C25H48NO7P,[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN,"InChI=1S/C25H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,24,27H,2-5,8,11-23,26H2,1H3,(H,29,30)/b7-6-,10-9-/t24-/m1/s1",QJHRNPQXCMXOOH,XBJNFHHOSA,N,"LysoPE(20:2(11Z,14Z)/0:0)",QJHRNPQXCMXOOH-XBJNFHHOSA-N
HMDB11514,503.301189343,C25H46NO7P,[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN,"InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h3-4,6-7,9-10,24,27H,2,5,8,11-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-/t24-/m1/s1",UEONHLLDVDPRRN,WCABUCBOSA,N,"LysoPE(20:3(11Z,14Z,17Z)/0:0)",UEONHLLDVDPRRN-WCABUCBOSA-N
HMDB11515,503.301189343,C25H46NO7P,[H][C@@](O)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h9-10,12-13,15-16,24,27H,2-8,11,14,17-23,26H2,1H3,(H,29,30)/b10-9-,13-12-,16-15-/t24-/m1/s1",YBDFPZJQBYCWBA,WMTBOZPISA,N,"LysoPE(20:3(5Z,8Z,11Z)/0:0)",YBDFPZJQBYCWBA-WMTBOZPISA-N
HMDB11516,503.301189343,C25H46NO7P,[H][C@@](O)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN,"InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,12-13,24,27H,2-5,8,11,14-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-/t24-/m1/s1",RNWSKZCVPICGIX,XQCPFYKGSA,N,"LysoPE(20:3(8Z,11Z,14Z)/0:0)",RNWSKZCVPICGIX-XQCPFYKGSA-N
HMDB11517,501.285539279,C25H44NO7P,[H][C@@](O)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN,"InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,12-13,15-16,24,27H,2-5,8,11,14,17-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-,16-15-/t24-/m1/s1",ROPRRXYVXLDXQO,XSQXPFHXSA,N,"LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)",ROPRRXYVXLDXQO-XSQXPFHXSA-N
HMDB11518,501.285539279,C25H44NO7P,[H][C@@](O)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN,"InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h3-4,6-7,9-10,12-13,24,27H,2,5,8,11,14-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-/t24-/m1/s1",JPNPIRVRGLGTRE,YSKCIPFOSA,N,"LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)",JPNPIRVRGLGTRE-YSKCIPFOSA-N
HMDB11519,499.269889215,C25H42NO7P,[H][C@@](O)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN,"InChI=1S/C25H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h3-4,6-7,9-10,12-13,15-16,24,27H,2,5,8,11,14,17-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-,16-15-/t24-/m1/s1",KCWGBXXAJHVZNN,KOYQJJOGSA,N,"LysoPE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",KCWGBXXAJHVZNN-KOYQJJOGSA-N
HMDB11520,537.379439663,C27H56NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C27H56NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h26,29H,2-25,28H2,1H3,(H,31,32)/t26-/m1/s1",NYSQCLMCGRAJJQ,AREMUKBSSA,N,LysoPE(22:0/0:0),NYSQCLMCGRAJJQ-AREMUKBSSA-N
HMDB11521,535.363789599,C27H54NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C27H54NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h9-10,26,29H,2-8,11-25,28H2,1H3,(H,31,32)/b10-9-/t26-/m1/s1",XHNHVLOJRORARF,RASRKNKNSA,N,LysoPE(22:1(13Z)/0:0),XHNHVLOJRORARF-RASRKNKNSA-N
HMDB11522,533.348139535,C27H52NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN,"InChI=1S/C27H52NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h6-7,9-10,26,29H,2-5,8,11-25,28H2,1H3,(H,31,32)/b7-6-,10-9-/t26-/m1/s1",XXZVISSNQKLBNF,IPQYAGCOSA,N,"LysoPE(22:2(13Z,16Z)/0:0)",XXZVISSNQKLBNF-IPQYAGCOSA-N
HMDB11523,529.316839407,C27H48NO7P,[H][C@@](O)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN,"InChI=1S/C27H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h6-7,9-10,12-13,15-16,26,29H,2-5,8,11,14,17-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-/t26-/m1/s1",NJHKGJJIKOCCMZ,YMIVKDKMSA,N,"LysoPE(22:4(7Z,10Z,13Z,16Z)/0:0)",NJHKGJJIKOCCMZ-YMIVKDKMSA-N
HMDB11524,527.301189343,C27H46NO7P,[H][C@@](O)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN,"InChI=1S/C27H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h6-7,9-10,12-13,15-16,18-19,26,29H,2-5,8,11,14,17,20-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1",GUWNUQBHHWXHBE,GOGKNFEWSA,N,"LysoPE(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",GUWNUQBHHWXHBE-GOGKNFEWSA-N
HMDB11525,527.301189343,C27H46NO7P,[H][C@@](O)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN,"InChI=1S/C27H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h3-4,6-7,9-10,12-13,15-16,26,29H,2,5,8,11,14,17-25,28H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-/t26-/m1/s1",OSRWIBSZJTWIKA,SCFYABBUSA,N,"LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",OSRWIBSZJTWIKA-SCFYABBUSA-N
HMDB11526,525.285539279,C27H44NO7P,[H][C@@](O)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN,"InChI=1S/C27H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,29H,2,5,8,11,14,17,20-25,28H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1",XEVRBOQZSXWGQO,PAUXXPOVSA,N,"LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",XEVRBOQZSXWGQO-PAUXXPOVSA-N
HMDB11527,565.410739791,C29H60NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C29H60NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-26-28(31)27-37-38(33,34)36-25-24-30/h28,31H,2-27,30H2,1H3,(H,33,34)/t28-/m1/s1",OYIDIWMHAJCRKH,MUUNZHRXSA,N,LysoPE(24:0/0:0),OYIDIWMHAJCRKH-MUUNZHRXSA-N
HMDB11528,563.395089727,C29H58NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN,"InChI=1S/C29H58NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-26-28(31)27-37-38(33,34)36-25-24-30/h9-10,28,31H,2-8,11-27,30H2,1H3,(H,33,34)/b10-9-/t28-/m1/s1",NCPDMAXNVQCUIZ,YLUWWHAYSA,N,LysoPE(24:1(15Z)/0:0),NCPDMAXNVQCUIZ-YLUWWHAYSA-N
HMDB11529,553.316839407,C29H48NO7P,[H][C@@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN,"InChI=1S/C29H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-26-28(31)27-37-38(33,34)36-25-24-30/h3-4,6-7,9-10,12-13,15-16,18-19,28,31H,2,5,8,11,14,17,20-27,30H2,1H3,(H,33,34)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t28-/m1/s1",UOCKWCJPKZTDEK,RGSQNDLGSA,N,"LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)",UOCKWCJPKZTDEK-RGSQNDLGSA-N
HMDB11530,302.245709576,C17H34O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h16,18-19H,2-15H2,1H3",TVIMZSOUQXNWHO,UHFFFAOYSA,N,MG(0:0/14:0/0:0),TVIMZSOUQXNWHO-UHFFFAOYSA-N
HMDB11531,300.230059512,C17H32O4,[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h5-6,16,18-19H,2-4,7-15H2,1H3/b6-5-",UETKPVCPWANBPE,WAYWQWQTSA,N,MG(0:0/14:1(9Z)/0:0),UETKPVCPWANBPE-WAYWQWQTSA-N
HMDB11532,316.26135964,C18H36O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-17(15-19)16-20/h17,19-20H,2-16H2,1H3",SJUYTIGRIZBTCI,UHFFFAOYSA,N,MG(0:0/15:0/0:0),SJUYTIGRIZBTCI-UHFFFAOYSA-N
HMDB11533,330.277009704,C19H38O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3",BBNYCLAREVXOSG,UHFFFAOYSA,N,MG(0:0/16:0/0:0),BBNYCLAREVXOSG-UHFFFAOYSA-N
HMDB11534,328.26135964,C19H36O4,[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-",CXUXMSACCLYMBI,FPLPWBNLSA,N,MG(0:0/16:1(9Z)/0:0),CXUXMSACCLYMBI-FPLPWBNLSA-N
HMDB11535,358.308309832,C21H42O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3",YQEMORVAKMFKLG,UHFFFAOYSA,N,MG(0:0/18:0/0:0),YQEMORVAKMFKLG-UHFFFAOYSA-N
HMDB11536,356.292659768,C21H40O4,[H]C(CO)(CO)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h7-8,20,22-23H,2-6,9-19H2,1H3/b8-7-",OTDARJOVCLILGQ,FPLPWBNLSA,N,MG(0:0/18:1(11Z)/0:0),OTDARJOVCLILGQ-FPLPWBNLSA-N
HMDB11537,356.292659768,C21H40O4,[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-",UPWGQKDVAURUGE,KTKRTIGZSA,N,MG(0:0/18:1(9Z)/0:0),UPWGQKDVAURUGE-KTKRTIGZSA-N
HMDB11538,354.277009704,C21H38O4,[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-",IEPGNWMPIFDNSD,HZJYTTRNSA,N,"MG(0:0/18:2(9Z,12Z)/0:0)",IEPGNWMPIFDNSD-HZJYTTRNSA-N
HMDB11539,352.26135964,C21H36O4,[H]C(CO)(CO)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,12-13,20,22-23H,2-5,8,11,14-19H2,1H3/b7-6-,10-9-,13-12-",BXAXVVVVPFELOK,QNEBEIHSSA,N,"MG(0:0/18:3(6Z,9Z,12Z)/0:0)",BXAXVVVVPFELOK-QNEBEIHSSA-N
HMDB11540,352.26135964,C21H36O4,[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",ZCCLDKGWJIREQF,PDBXOOCHSA,N,"MG(0:0/18:3(9Z,12Z,15Z)/0:0)",ZCCLDKGWJIREQF-PDBXOOCHSA-N
HMDB11541,350.245709576,C21H34O4,[H]C(CO)(CO)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,12-13,20,22-23H,2,5,8,11,14-19H2,1H3/b4-3-,7-6-,10-9-,13-12-",WNCUAIVHPMNYAK,LTKCOYKYSA,N,"MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)",WNCUAIVHPMNYAK-LTKCOYKYSA-N
HMDB11542,386.33960996,C23H46O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h22,24-25H,2-21H2,1H3",KECCPKLXQUOWMI,UHFFFAOYSA,N,MG(0:0/20:0/0:0),KECCPKLXQUOWMI-UHFFFAOYSA-N
HMDB11543,384.323959896,C23H44O4,[H]C(CO)(CO)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C23H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h9-10,22,24-25H,2-8,11-21H2,1H3/b10-9-",YRAZXZXQMMJRRV,KTKRTIGZSA,N,MG(0:0/20:1(11Z)/0:0),YRAZXZXQMMJRRV-KTKRTIGZSA-N
HMDB11544,382.308309832,C23H42O4,[H]C(CO)(CO)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C23H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,22,24-25H,2-5,8,11-21H2,1H3/b7-6-,10-9-",PMJSUEZTCFTBMD,HZJYTTRNSA,N,"MG(0:0/20:2(11Z,14Z)/0:0)",PMJSUEZTCFTBMD-HZJYTTRNSA-N
HMDB11545,380.292659768,C23H40O4,[H]C(CO)(CO)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h3-4,6-7,9-10,22,24-25H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-",SLRKCKOWXHZSDR,PDBXOOCHSA,N,"MG(0:0/20:3(11Z,14Z,17Z)/0:0)",SLRKCKOWXHZSDR-PDBXOOCHSA-N
HMDB11546,380.292659768,C23H40O4,[H]C(CO)(CO)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h9-10,12-13,15-16,22,24-25H,2-8,11,14,17-21H2,1H3/b10-9-,13-12-,16-15-",CRSKSGIHJXUIHD,YOILPLPUSA,N,"MG(0:0/20:3(5Z,8Z,11Z)/0:0)",CRSKSGIHJXUIHD-YOILPLPUSA-N
HMDB11547,380.292659768,C23H40O4,[H]C(CO)(CO)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,22,24-25H,2-5,8,11,14-21H2,1H3/b7-6-,10-9-,13-12-",FHCHFKIVIFQBSC,QNEBEIHSSA,N,"MG(0:0/20:3(8Z,11Z,14Z)/0:0)",FHCHFKIVIFQBSC-QNEBEIHSSA-N
HMDB11549,378.277009704,C23H38O4,[H]C(CO)(CO)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h3-4,6-7,9-10,12-13,22,24-25H,2,5,8,11,14-21H2,1H3/b4-3-,7-6-,10-9-,13-12-",JCKNHZDBFKYTQU,LTKCOYKYSA,N,"MG(0:0/20:4(8Z,11Z,14Z,17Z)/0:0)",JCKNHZDBFKYTQU-LTKCOYKYSA-N
HMDB11550,376.26135964,C23H36O4,[H]C(CO)(CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h3-4,6-7,9-10,12-13,15-16,22,24-25H,2,5,8,11,14,17-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-",IXSYVBCFIGEECR,JLNKQSITSA,N,"MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",IXSYVBCFIGEECR-JLNKQSITSA-N
HMDB11551,414.370910088,C25H50O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h24,26-27H,2-23H2,1H3",DNULQWTYMFQUHB,UHFFFAOYSA,N,MG(0:0/22:0/0:0),DNULQWTYMFQUHB-UHFFFAOYSA-N
HMDB11552,412.355260024,C25H48O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C25H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h9-10,24,26-27H,2-8,11-23H2,1H3/b10-9-",TZDOBCZHGBGJLS,KTKRTIGZSA,N,MG(0:0/22:1(13Z)/0:0),TZDOBCZHGBGJLS-KTKRTIGZSA-N
HMDB11553,410.33960996,C25H46O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C25H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h6-7,9-10,24,26-27H,2-5,8,11-23H2,1H3/b7-6-,10-9-",PFISEVUKDJTNGO,HZJYTTRNSA,N,"MG(0:0/22:2(13Z,16Z)/0:0)",PFISEVUKDJTNGO-HZJYTTRNSA-N
HMDB11554,406.308309832,C25H42O4,[H]C(CO)(CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C25H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h6-7,9-10,12-13,15-16,24,26-27H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-",DVYDCUGIJCYIQN,DOFZRALJSA,N,"MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0)",DVYDCUGIJCYIQN-DOFZRALJSA-N
HMDB11555,404.292659768,C25H40O4,[H]C(CO)(CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h6-7,9-10,12-13,15-16,18-19,24,26-27H,2-5,8,11,14,17,20-23H2,1H3/b7-6-,10-9-,13-12-,16-15-,19-18-",NPZWSBAEZZLYQU,WMPRHZDHSA,N,"MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",NPZWSBAEZZLYQU-WMPRHZDHSA-N
HMDB11556,404.292659768,C25H40O4,[H]C(CO)(CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h3-4,6-7,9-10,12-13,15-16,24,26-27H,2,5,8,11,14,17-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-",LRBJILYYDLUADN,JLNKQSITSA,N,"MG(0:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",LRBJILYYDLUADN-JLNKQSITSA-N
HMDB11557,402.277009704,C25H38O4,[H]C(CO)(CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h3-4,6-7,9-10,12-13,15-16,18-19,24,26-27H,2,5,8,11,14,17,20-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",NHNGEAQTTQPSCX,KUBAVDMBSA,N,"MG(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",NHNGEAQTTQPSCX-KUBAVDMBSA-N
HMDB11558,442.402210216,C27H54O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C27H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-26(24-28)25-29/h26,28-29H,2-25H2,1H3",SNMGFBFZTAYEBF,UHFFFAOYSA,N,MG(0:0/24:0/0:0),SNMGFBFZTAYEBF-UHFFFAOYSA-N
HMDB11559,440.386560152,C27H52O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C27H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-26(24-28)25-29/h9-10,26,28-29H,2-8,11-25H2,1H3/b10-9-",HXZFYDGMORCWCA,KTKRTIGZSA,N,MG(0:0/24:1(15Z)/0:0),HXZFYDGMORCWCA-KTKRTIGZSA-N
HMDB11560,430.308309832,C27H42O4,[H]C(CO)(CO)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-26(24-28)25-29/h3-4,6-7,9-10,12-13,15-16,18-19,26,28-29H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",WMUDCZHZTVTGRX,KUBAVDMBSA,N,"MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)",WMUDCZHZTVTGRX-KUBAVDMBSA-N
HMDB11561,302.245709576,C17H34O4,[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1",DCBSHORRWZKAKO,INIZCTEOSA,N,MG(14:0/0:0/0:0),DCBSHORRWZKAKO-INIZCTEOSA-N
HMDB11562,300.230059512,C17H32O4,[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h5-6,16,18-19H,2-4,7-15H2,1H3/b6-5-/t16-/m0/s1",ARCRKLOZHGPFFJ,KJPDOMRESA,N,MG(14:1(9Z)/0:0/0:0),ARCRKLOZHGPFFJ-KJPDOMRESA-N
HMDB11563,316.26135964,C18H36O4,[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h17,19-20H,2-16H2,1H3/t17-/m0/s1",QSKPZDMBULYMDQ,KRWDZBQOSA,N,MG(15:0/0:0/0:0),QSKPZDMBULYMDQ-KRWDZBQOSA-N
HMDB11564,330.277009704,C19H38O4,[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1",QHZLMUACJMDIAE,SFHVURJKSA,N,MG(16:0/0:0/0:0),QHZLMUACJMDIAE-SFHVURJKSA-N
HMDB11565,328.26135964,C19H36O4,[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-/t18-/m0/s1",KVYUBFKSKZWZSV,ZEVQVBBLSA,N,MG(16:1(9Z)/0:0/0:0),KVYUBFKSKZWZSV-ZEVQVBBLSA-N
HMDB11566,356.292659768,C21H40O4,[H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h7-8,20,22-23H,2-6,9-19H2,1H3/b8-7-/t20-/m0/s1",KJHYUSLWTPMFTN,AQWUKCDYSA,N,MG(18:1(11Z)/0:0/0:0),KJHYUSLWTPMFTN-AQWUKCDYSA-N
HMDB11567,356.292659768,C21H40O4,[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1",RZRNAYUHWVFMIP,QJRAZLAKSA,N,MG(18:1(9Z)/0:0/0:0),RZRNAYUHWVFMIP-QJRAZLAKSA-N
HMDB11568,354.277009704,C21H38O4,[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m0/s1",WECGLUPZRHILCT,GSNKCQISSA,N,"MG(18:2(9Z,12Z)/0:0/0:0)",WECGLUPZRHILCT-GSNKCQISSA-N
HMDB11569,352.26135964,C21H36O4,[H][C@](O)(CO)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,12-13,20,22-23H,2-5,8,11,14-19H2,1H3/b7-6-,10-9-,13-12-/t20-/m0/s1",XQBHBEXBUZDCRY,FFXVNFNPSA,N,"MG(18:3(6Z,9Z,12Z)/0:0/0:0)",XQBHBEXBUZDCRY-FFXVNFNPSA-N
HMDB11570,352.26135964,C21H36O4,[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-/t20-/m0/s1",GGJRAQULURVTAJ,IWFQAGGASA,N,"MG(18:3(9Z,12Z,15Z)/0:0/0:0)",GGJRAQULURVTAJ-IWFQAGGASA-N
HMDB11571,350.245709576,C21H34O4,[H][C@](O)(CO)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,12-13,20,22-23H,2,5,8,11,14-19H2,1H3/b4-3-,7-6-,10-9-,13-12-/t20-/m0/s1",YICVZGXPPMTJCG,LIYQNMAISA,N,"MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0)",YICVZGXPPMTJCG-LIYQNMAISA-N
HMDB11572,386.33960996,C23H46O4,[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h22,24-25H,2-21H2,1H3/t22-/m0/s1",UMEKPPOFCOUEDT,QFIPXVFZSA,N,MG(20:0/0:0/0:0),UMEKPPOFCOUEDT-QFIPXVFZSA-N
HMDB11573,384.323959896,C23H44O4,[H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C23H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h9-10,22,24-25H,2-8,11-21H2,1H3/b10-9-/t22-/m0/s1",HPTOSMWVVSKAGZ,DYYZXQNHSA,N,MG(20:1(11Z)/0:0/0:0),HPTOSMWVVSKAGZ-DYYZXQNHSA-N
HMDB11574,382.308309832,C23H42O4,[H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C23H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,22,24-25H,2-5,8,11-21H2,1H3/b7-6-,10-9-/t22-/m0/s1",QRBGFYBOCBYOSN,KDTZXJSHSA,N,"MG(20:2(11Z,14Z)/0:0/0:0)",QRBGFYBOCBYOSN-KDTZXJSHSA-N
HMDB11575,380.292659768,C23H40O4,[H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h3-4,6-7,9-10,22,24-25H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-/m0/s1",IKBDZTUBAQMHJD,RDNZRLETSA,N,"MG(20:3(11Z,14Z,17Z)/0:0/0:0)",IKBDZTUBAQMHJD-RDNZRLETSA-N
HMDB11576,380.292659768,C23H40O4,[H][C@](O)(CO)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h9-10,12-13,15-16,22,24-25H,2-8,11,14,17-21H2,1H3/b10-9-,13-12-,16-15-/t22-/m0/s1",NXOGCYSVLAIYAP,UXNAVHBBSA,N,"MG(20:3(5Z,8Z,11Z)/0:0/0:0)",NXOGCYSVLAIYAP-UXNAVHBBSA-N
HMDB11577,380.292659768,C23H40O4,[H][C@](O)(CO)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,22,24-25H,2-5,8,11,14-21H2,1H3/b7-6-,10-9-,13-12-/t22-/m0/s1",LERKRWCYZNDWFH,YYRPCZOWSA,N,"MG(20:3(8Z,11Z,14Z)/0:0/0:0)",LERKRWCYZNDWFH-YYRPCZOWSA-N
HMDB11578,378.277009704,C23H38O4,[H][C@](O)(CO)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-/t22-/m0/s1",DCPCOKIYJYGMDN,HUDVFFLJSA,N,"MG(20:4(5Z,8Z,11Z,14Z)/0:0/0:0)",DCPCOKIYJYGMDN-HUDVFFLJSA-N
HMDB11579,378.277009704,C23H38O4,[H][C@](O)(CO)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h3-4,6-7,9-10,12-13,22,24-25H,2,5,8,11,14-21H2,1H3/b4-3-,7-6-,10-9-,13-12-/t22-/m0/s1",LWXLRBPWKGXXED,FZLOBDGKSA,N,"MG(20:4(8Z,11Z,14Z,17Z)/0:0/0:0)",LWXLRBPWKGXXED-FZLOBDGKSA-N
HMDB11580,376.26135964,C23H36O4,[H][C@](O)(CO)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h3-4,6-7,9-10,12-13,15-16,22,24-25H,2,5,8,11,14,17-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-/t22-/m0/s1",DFRRSBYSSXKROX,GABUGCEHSA,N,"MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0)",DFRRSBYSSXKROX-GABUGCEHSA-N
HMDB11581,414.370910088,C25H50O4,[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3/t24-/m0/s1",OKMWKBLSFKFYGZ,DEOSSOPVSA,N,MG(22:0/0:0/0:0),OKMWKBLSFKFYGZ-DEOSSOPVSA-N
HMDB11582,412.355260024,C25H48O4,[H][C@](O)(CO)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C25H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h9-10,24,26-27H,2-8,11-23H2,1H3/b10-9-/t24-/m0/s1",ZXNAIPHYBVMMPY,DHSLYTQISA,N,MG(22:1(13Z)/0:0/0:0),ZXNAIPHYBVMMPY-DHSLYTQISA-N
HMDB11583,410.33960996,C25H46O4,[H][C@](O)(CO)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C25H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h6-7,9-10,24,26-27H,2-5,8,11-23H2,1H3/b7-6-,10-9-/t24-/m0/s1",UCYPOAPUDLUXQX,VXOKBQSKSA,N,"MG(22:2(13Z,16Z)/0:0/0:0)",UCYPOAPUDLUXQX-VXOKBQSKSA-N
HMDB11584,406.308309832,C25H42O4,[H][C@](O)(CO)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C25H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h6-7,9-10,12-13,15-16,24,26-27H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-/t24-/m0/s1",UDZUDFKFJCAENZ,UGLSNKNVSA,N,"MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0)",UDZUDFKFJCAENZ-UGLSNKNVSA-N
HMDB11585,404.292659768,C25H40O4,[H][C@](O)(CO)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h6-7,9-10,12-13,15-16,18-19,24,26-27H,2-5,8,11,14,17,20-23H2,1H3/b7-6-,10-9-,13-12-,16-15-,19-18-/t24-/m0/s1",HDIQCISTZKHUDO,AJWITYRPSA,N,"MG(22:5(4Z,7Z,10Z,13Z,16Z)/0:0/0:0)",HDIQCISTZKHUDO-AJWITYRPSA-N
HMDB11586,404.292659768,C25H40O4,[H][C@](O)(CO)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h3-4,6-7,9-10,12-13,15-16,24,26-27H,2,5,8,11,14,17-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-/t24-/m0/s1",IDSLCYURGAOTOA,YAWQMZOFSA,N,"MG(22:5(7Z,10Z,13Z,16Z,19Z)/0:0/0:0)",IDSLCYURGAOTOA-YAWQMZOFSA-N
HMDB11587,402.277009704,C25H38O4,[H][C@](O)(CO)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h3-4,6-7,9-10,12-13,15-16,18-19,24,26-27H,2,5,8,11,14,17,20-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t24-/m0/s1",JWPHORDRFVRZPP,PJEZTNATSA,N,"MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0)",JWPHORDRFVRZPP-PJEZTNATSA-N
HMDB11588,442.402210216,C27H54O4,[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C27H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h26,28-29H,2-25H2,1H3/t26-/m0/s1",KIWLCEXSSGNBJU,SANMLTNESA,N,MG(24:0/0:0/0:0),KIWLCEXSSGNBJU-SANMLTNESA-N
HMDB11589,440.386560152,C27H52O4,[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C27H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h9-10,26,28-29H,2-8,11-25H2,1H3/b10-9-/t26-/m0/s1",NVQGQHXFWUBOAU,IMHHWWNFSA,N,MG(24:1(15Z)/0:0/0:0),NVQGQHXFWUBOAU-IMHHWWNFSA-N
HMDB11590,430.308309832,C27H42O4,[H][C@](O)(CO)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,28-29H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m0/s1",SPDDTJMNQZVMGO,FJXNLOIUSA,N,"MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0)",SPDDTJMNQZVMGO-FJXNLOIUSA-N
HMDB11591,889.649042003,C48H91NO13,[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C48H91NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h29,31,36-39,41-48,50-52,54-58H,3-28,30,32-35H2,1-2H3,(H,49,53)/b31-29+/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1",VOZHMDQUIRUFQW,LOTHNZFDSA,N,Lactosylceramide (d18:1/18:0),VOZHMDQUIRUFQW-LOTHNZFDSA-N
HMDB11592,887.633391939,C48H89NO13,[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCC\C=C/CCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C48H89NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h17-18,29,31,36-39,41-48,50-52,54-58H,3-16,19-28,30,32-35H2,1-2H3,(H,49,53)/b18-17-,31-29+/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1",YVBUQOZKCCPFCZ,HSVHIEHGSA,N,Lactosyceramide (d18:1/18:1(9Z)),YVBUQOZKCCPFCZ-HSVHIEHGSA-N
HMDB11593,917.680342131,C50H95NO13,[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C50H95NO13/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(55)51-38(39(54)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)37-61-49-47(60)45(58)48(41(36-53)63-49)64-50-46(59)44(57)43(56)40(35-52)62-50/h31,33,38-41,43-50,52-54,56-60H,3-30,32,34-37H2,1-2H3,(H,51,55)/b33-31+/t38-,39+,40+,41+,43-,44-,45+,46+,47+,48+,49+,50-/m0/s1",FGJIXPPBZNPEHW,CRMMDXJYSA,N,Lactosylcermide (d18:1/20:0),FGJIXPPBZNPEHW-CRMMDXJYSA-N
HMDB11594,945.711642259,C52H99NO13,[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33+/t40-,41+,42+,43+,45-,46-,47+,48+,49+,50+,51+,52-/m0/s1",QYWVASPEUXEHSY,NNRNTGNWSA,N,Lactosylceramide (d18:1/22:0),QYWVASPEUXEHSY-NNRNTGNWSA-N
HMDB11595,973.742942387,C54H103NO13,[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C54H103NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-46(59)55-42(43(58)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-65-53-51(64)49(62)52(45(40-57)67-53)68-54-50(63)48(61)47(60)44(39-56)66-54/h35,37,42-45,47-54,56-58,60-64H,3-34,36,38-41H2,1-2H3,(H,55,59)/b37-35+/t42-,43+,44+,45+,47-,48-,49+,50+,51+,52+,53+,54-/m0/s1",KDEYEEYMIPNKIJ,OGIIFMLESA,N,Lactosylceramide (d18:1/24:0),KDEYEEYMIPNKIJ-OGIIFMLESA-N
HMDB11596,409.159748115,C17H23N5O7,NC1=NC(=O)C2=C(N1)N(C=C2CN[C@H]1C=C[C@H](O)[C@@H]1O)C1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C17H23N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h1-2,4,7-9,11-13,16,19,23-27H,3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16?/m0/s1",QQXQGKSPIMGUIZ,FSIZVHFJSA,N,Queuosine,QQXQGKSPIMGUIZ-FSIZVHFJSA-N
HMDB11599,149.070145249,C6H7N5,CN1C=NC2=NC=NC2=C1N,"InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3",HPZMWTNATZPBIH,UHFFFAOYSA,N,1-Methyladenine,HPZMWTNATZPBIH-UHFFFAOYSA-N
HMDB11600,149.070145249,C6H7N5,CN1C=NC(N)=C2N=CN=C12,"InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3",FSASIHFSFGAIJM,UHFFFAOYSA,N,3-Methyladenine,FSASIHFSFGAIJM-UHFFFAOYSA-N
HMDB11601,125.058911861,C5H7N3O,CN1C(N)=CC=NC1=O,"InChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,6H2,1H3",KOLPWZCZXAMXKS,UHFFFAOYSA,N,3-Methylcytosine,KOLPWZCZXAMXKS-UHFFFAOYSA-N
HMDB11602,103.026943031,C3H5NO3,NC(C=O)C(O)=O,"InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7)",XMTCKNXTTXDPJX,UHFFFAOYSA,N,3-Oxoalanine,XMTCKNXTTXDPJX-UHFFFAOYSA-N
HMDB11603,207.100776675,C10H13N3O2,CN(CCCC(=O)C1=CC=CN=C1)N=O,"InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3",FLAQQSHRLBFIEZ,UHFFFAOYSA,N,4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone,FLAQQSHRLBFIEZ-UHFFFAOYSA-N
HMDB11604,935.266623627,C32H56N7O17P3S,CC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C32H56N7O17P3S/c1-19(2)7-6-8-20(3)9-10-23(41)60-14-13-34-22(40)11-12-35-30(44)27(43)32(4,5)16-53-59(50,51)56-58(48,49)52-15-21-26(55-57(45,46)47)25(42)31(54-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-21,25-27,31,42-43H,6-16H2,1-5H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t20?,21-,25-,26-,27?,31-/m1/s1",YGNKJFPEXQCWDB,DPSOZLMZSA,N,"4,8-Dimethylnonanoyl-CoA",YGNKJFPEXQCWDB-DPSOZLMZSA-N
HMDB11605,400.370516158,C28H48O,[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@H](C)[C@@H](O)CC[C@]12C,"InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22?,23+,24+,25+,26+,27-,28+/m1/s1",LMYZQUNLYGJIHI,DOQVYVCQSA,N,4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol,LMYZQUNLYGJIHI-DOQVYVCQSA-N
HMDB11606,398.354866094,C28H46O,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-25H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,27-,28+/m1/s1",OWKGVPXWOHLTSL,LIUJFMQASA,N,4-alpha-Methyl-5-alpha-cholest-7-en-3-one,OWKGVPXWOHLTSL-LIUJFMQASA-N
HMDB11610,397.061355979,C12H19N3O8S2,OC[C@H]1O[C@H](C(O)C1O)N1C=C(CNCCS(O)(=O)=O)C(=O)NC1=S,"InChI=1S/C12H19N3O8S2/c16-5-7-8(17)9(18)11(23-7)15-4-6(10(19)14-12(15)24)3-13-1-2-25(20,21)22/h4,7-9,11,13,16-18H,1-3,5H2,(H,14,19,24)(H,20,21,22)/t7-,8?,9?,11-/m1/s1",XMIFBEZRFMTGRL,NHSUTOTLSA,N,5-Taurinomethyl-2-thiouridine,XMIFBEZRFMTGRL-NHSUTOTLSA-N
HMDB11612,801.152049077,C27H33N9O16P2,CC1=C(C)C(O)=C2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N)N=CN=C34)C2=C1,"InChI=1S/C27H33N9O16P2/c1-9-3-11-15(18(39)10(9)2)32-17-24(33-27(44)34-25(17)43)35(11)4-12(37)19(40)13(38)5-49-53(45,46)52-54(47,48)50-6-14-20(41)21(42)26(51-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,19-21,26,37-42H,4-6H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t12-,13+,14+,19-,20+,21+,26+/m0/s1",BJSUUWFQAMLNKU,OKXKTURISA,N,6-Hydroxy flavin adenine dinucleotide,BJSUUWFQAMLNKU-OKXKTURISA-N
HMDB11614,149.070145249,C6H7N5,CN1C=NC2=NC=NC(N)=C12,"InChI=1S/C6H7N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)",HCGHYQLFMPXSDU,UHFFFAOYSA,N,7-Methyladenine,HCGHYQLFMPXSDU-UHFFFAOYSA-N
HMDB11615,522.990659781,C10H16N5O14P3,NC1=NC(=O)C2=C(N1)N(C1C[C@H](O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1)C(=O)N2,"InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4?,5?/m0/s1",BUZOGVVQWCXXDP,KLFYCJEISA,N,8-Oxo-dGTP,BUZOGVVQWCXXDP-KLFYCJEISA-N
HMDB11616,329.052519653,C10H12N5O6P,NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(O)(=O)OC12,"InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)",KMYWVDDIPVNLME,UHFFFAOYSA,N,"Adenosine 2',3'-cyclic phosphate",KMYWVDDIPVNLME-UHFFFAOYSA-N
HMDB11617,347.063084339,C10H14N5O7P,NC1=NC=NC2=C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1",QDFHPFSBQFLLSW,VTHZCTBJSA,N,Adenosine 2'-phosphate,QDFHPFSBQFLLSW-VTHZCTBJSA-N
HMDB11618,288.245315646,C20H32O,CC(CCO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,17,21H,7,10,13-15H2,1-5H3/b9-6+,12-11+,16-8+",OVBOQVAIYMSUDT,HRYGCDPOSA,N,"All-trans-13,14-dihydroretinol",OVBOQVAIYMSUDT-HRYGCDPOSA-N
HMDB11619,298.323565966,C20H42O,CCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3",BTFJIXJJCSYFAL,UHFFFAOYSA,N,Arachidyl alcohol,BTFJIXJJCSYFAL-UHFFFAOYSA-N
HMDB11620,122.906340283,AsO3,[O-][As]([O-])[O-],InChI=1S/AsO3/c2-1(3)4/q-3,OWTFKEBRIAXSMO,UHFFFAOYSA,N,Arsenite,OWTFKEBRIAXSMO-UHFFFAOYSA-N
HMDB11621,205.073893223,C11H11NO3,OC(=O)CNC(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+",YAADMLWHGMUGQL,VOTSOKGWSA,N,Cinnamoylglycine,YAADMLWHGMUGQL-VOTSOKGWSA-N
HMDB11622,193.037507717,C9H7NO4,OC(=O)C1CC2=CC(=O)C(=O)C=C2N1,"InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)",VJNCICVKUHKIIV,UHFFFAOYSA,N,D-Dopachrome,VJNCICVKUHKIIV-UHFFFAOYSA-N
HMDB11623,156.151415262,C10H20O,CCCCCCCCCC=O,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3",KSMVZQYAVGTKIV,UHFFFAOYSA,N,Decanal,KSMVZQYAVGTKIV-UHFFFAOYSA-N
HMDB11624,158.167065326,C10H22O,CCCCCCCCCCO,"InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",MWKFXSUHUHTGQN,UHFFFAOYSA,N,Decyl alcohol,MWKFXSUHUHTGQN-UHFFFAOYSA-N
HMDB11625,136.958375853,C2H6AsO2,C[As](C)([O-])=O,"InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1",OGGXGZAMXPVRFZ,UHFFFAOYSA,M,Dimethylarsinate,OGGXGZAMXPVRFZ-UHFFFAOYSA-M
HMDB11626,186.198365454,C12H26O,CCCCCCCCCCCCO,"InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",LQZZUXJYWNFBMV,UHFFFAOYSA,N,Dodecanol,LQZZUXJYWNFBMV-UHFFFAOYSA-N
HMDB11627,325.207549931,C18H31NO2S,N[C@@H](CSC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O,"InChI=1S/C18H31NO2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(19)18(20)21/h7,9,11,17H,5-6,8,10,12-13,19H2,1-4H3,(H,20,21)/b15-9+,16-11+/t17-/m0/s1",SYSLNQMKLROGCL,BCYUYYMPSA,N,Farnesylcysteine,SYSLNQMKLROGCL-BCYUYYMPSA-N
HMDB11628,470.33960996,C30H46O4,CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19?,21?,22-,23?,26+,27-,28-,29+,30+/m0/s1",MPDGHEJMBKOTSU,WFJWTYAKSA,N,Glycyrrhetinic acid,MPDGHEJMBKOTSU-WFJWTYAKSA-N
HMDB11629,345.047434275,C10H12N5O7P,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",UASRYODFRYWBRC,UUOKFMHZSA,N,"Guanosine 2',3'-cyclic phosphate",UASRYODFRYWBRC-UUOKFMHZSA-N
HMDB11631,224.079706882,C10H12N2O4,N[C@@H](CC(=O)C1=CC=CC(O)=C1N)C(O)=O,"InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1",VCKPUUFAIGNJHC,LURJTMIESA,N,L-3-Hydroxykynurenine,VCKPUUFAIGNJHC-LURJTMIESA-N
HMDB11632,182.07903818,C6H14O6,OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1",FBPFZTCFMRRESA,UNTFVMJOSA,N,L-Iditol,FBPFZTCFMRRESA-UNTFVMJOSA-N
HMDB11634,131.142247559,C6H17N3,NCCCNCCCN,"InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2",OTBHHUPVCYLGQO,UHFFFAOYSA,N,Norspermidine,OTBHHUPVCYLGQO-UHFFFAOYSA-N
HMDB11635,188.014329434,C7H8O4S,CC1=CC=C(OS(O)(=O)=O)C=C1,"InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)",WGNAKZGUSRVWRH,UHFFFAOYSA,N,p-Cresol sulfate,WGNAKZGUSRVWRH-UHFFFAOYSA-N
HMDB11636,885.157073179,C29H42N7O17P3S,CC1=C(C=CC=C1)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C29H42N7O17P3S/c1-16-6-4-5-7-17(16)28(41)57-11-10-31-19(37)8-9-32-26(40)23(39)29(2,3)13-50-56(47,48)53-55(45,46)49-12-18-22(52-54(42,43)44)21(38)27(51-18)36-15-35-20-24(30)33-14-34-25(20)36/h4-7,14-15,18,21-23,27,38-39H,8-13H2,1-3H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,21-,22-,23?,27-/m1/s1",ATOBVMVSPXOGBP,XJJJFWNASA,N,Salicyl CoA,ATOBVMVSPXOGBP-XJJJFWNASA-N
HMDB11637,515.291673489,C26H45NO7S,[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)[C@@H]2O)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17?,18?,19?,20+,22?,23-,24+,25-,26-/m1/s1",XSOLDPYUICCHJX,RBPXSRGGSA,N,Taurohyocholate,XSOLDPYUICCHJX-RBPXSRGGSA-N
HMDB11638,214.229665582,C14H30O,CCCCCCCCCCCCCCO,"InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3",HLZKNKRTKFSKGZ,UHFFFAOYSA,N,Tetradecanol,HLZKNKRTKFSKGZ-UHFFFAOYSA-N
HMDB11639,211.048072403,C9H9NO5,N[C@@H](CC1=CC(=O)C(=O)C=C1O)C(O)=O,"InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11H,1,10H2,(H,14,15)/t5-/m0/s1",YWRFBISQAMHSIX,YFKPBYRVSA,N,Topaquinone,YWRFBISQAMHSIX-YFKPBYRVSA-N
HMDB11640,306.02530185,C9H11N2O8P,OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)N1C=CC(=O)NC1=O,"InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/t4-,6-,7-,8-/m1/s1",HWDMHJDYMFRXOX,XVFCMESISA,N,"Uridine 2',3'-cyclic phosphate",HWDMHJDYMFRXOX-XVFCMESISA-N
HMDB11641,324.035866536,C9H13N2O9P,OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",HQIDPEYTETUCNF,XVFCMESISA,N,Uridine 2'-phosphate,HQIDPEYTETUCNF-XVFCMESISA-N
HMDB11643,402.349780716,C27H46O2,[H][C@@]12CCC([C@H](C)CC[C@@H](O)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22?,23+,24+,25-,26+,27-/m1/s1",IOWMKBFJCNLRTC,BPWUYGJYSA,N,"(24R)-Cholest-5-ene-3-beta,24-diol",IOWMKBFJCNLRTC-BPWUYGJYSA-N
HMDB11644,418.344695338,C27H46O3,[H][C@@]12CCC([C@H](C)CC[C@@H](O)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19+,20?,21+,22+,23-,24-,25+,26+,27-/m1/s1",ZNCHPOYZMVVJCK,DPFMVWRKSA,N,"(24R)-Cholest-5-ene-3-beta,7-alpha,24-triol",ZNCHPOYZMVVJCK-DPFMVWRKSA-N
HMDB11648,256.105921632,C11H16N2O5,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C11H16N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1,3-4,7-9,11,14-16H,2,5H2,(H2,12,17)/t7-,8-,9-,11-/m1/s1",MAKBMGXNXXXBFE,TURQNECASA,N,"1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide",MAKBMGXNXXXBFE-TURQNECASA-N
HMDB11649,334.066497962,C9H19O11P,OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)/t3-,4-,5-,6+,7-,8-,9-/m1/s1",BMVUIWJCUQSHLZ,UJGXJMNGSA,N,1-(sn-Glycero-3-phospho)-1D-myo-inositol,BMVUIWJCUQSHLZ-UJGXJMNGSA-N
HMDB11651,374.20932407,C22H30O5,C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(=O)CC(O)=O,"InChI=1S/C22H30O5/c1-21-8-7-13(23)9-12(21)3-4-14-15-5-6-16(17(24)10-19(26)27)22(15,2)11-18(25)20(14)21/h9,14-16,18,20,25H,3-8,10-11H2,1-2H3,(H,26,27)/t14?,15?,16?,18-,20?,21-,22-/m0/s1",VUDYWBBYQWVFAG,GKLBWGGBSA,N,"11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid",VUDYWBBYQWVFAG-GKLBWGGBSA-N
HMDB11652,376.224974134,C22H32O5,C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(O)CC(O)=O,"InChI=1S/C22H32O5/c1-21-8-7-13(23)9-12(21)3-4-14-15-5-6-16(17(24)10-19(26)27)22(15,2)11-18(25)20(14)21/h9,14-18,20,24-25H,3-8,10-11H2,1-2H3,(H,26,27)/t14?,15?,16?,17?,18-,20?,21-,22-/m0/s1",MSUMOHDXPKCNSB,ZUNXIJJCSA,N,"11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid",MSUMOHDXPKCNSB-ZUNXIJJCSA-N
HMDB11653,332.23514489,C21H32O3,[H][C@@]12CC[C@](O)([C@H](C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1",MASCESDECGBIBB,HNXXTFFGSA,N,"17-alpha,20-alpha-Dihydroxypregn-4-en-3-one",MASCESDECGBIBB-HNXXTFFGSA-N
HMDB11654,271.140630116,C11H19N4O4,C[NH2+]C(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O,"InChI=1S/C11H18N4O4/c1-13-8(11(18)19)2-3-9-14-5-6(15-9)4-7(12)10(16)17/h5,7-8,13H,2-4,12H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p+1/t7-,8?/m0/s1",YBMOTEQVMANKGX,JAMMHHFISA,O,2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,YBMOTEQVMANKGX-JAMMHHFISA-O
HMDB11655,256.11715502,C10H16N4O4,NC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O,"InChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m0/s1",CJCSNWWKPUXVRD,MLWJPKLSSA,N,2-(3-Carboxy-3-aminopropyl)-L-histidine,CJCSNWWKPUXVRD-MLWJPKLSSA-N
HMDB11656,1075.329223883,C43H64N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C43H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-23,30-32,36-38,42,53-54H,4,7,10,13,16,19,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20+,23-22+/t32-,36-,37-,38?,42-/m1/s1",HTSMCTDWAPSBNO,FNCOHHGJSA,N,"2,4,7,10,13,16,19-Docosaheptaenoyl-CoA",HTSMCTDWAPSBNO-FNCOHHGJSA-N
HMDB11657,183.075624557,C6H9N5O2,CN(C=O)C1=C(N)N=C(N)N=C1O,"InChI=1S/C6H9N5O2/c1-11(2-12)3-4(7)9-6(8)10-5(3)13/h2H,1H3,(H5,7,8,9,10,13)",CGWDNAFNQOBSCK,UHFFFAOYSA,N,"2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine",CGWDNAFNQOBSCK-UHFFFAOYSA-N
HMDB11658,337.079766461,C15H15NO8,O[C@H]1[C@H](OC2=NC3=C(O)C=CC=C3C=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C15H15NO8/c17-7-3-1-2-6-4-5-8(16-9(6)7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-5,10-13,15,17-20H,(H,21,22)/t10-,11-,12+,13-,15+/m0/s1",YQBCNQXCTHWJOK,DKBOKBLXSA,N,"2,8-Dihydroxyquinoline-beta-D-glucuronide",YQBCNQXCTHWJOK-DKBOKBLXSA-N
HMDB11659,136.073558872,C5H12O4,CC(O)(CO)[C@@H](O)CO,"InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5+/m0/s1",HGVJFBSSLICXEM,CRCLSJGQSA,N,2-Methylerythritol,HGVJFBSSLICXEM-CRCLSJGQSA-N
HMDB11660,879.204023371,C28H48N7O17P3S,CCCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C28H48N7O17P3S/c1-5-6-7-16(2)27(40)56-11-10-30-18(36)8-9-31-25(39)22(38)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,5-13H2,1-4H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t16?,17-,20-,21-,22?,26-/m1/s1",QZBBWKARTWOCMU,BEMBNQBDSA,N,2-Methylhexanoyl-CoA,QZBBWKARTWOCMU-BEMBNQBDSA-N
HMDB11661,564.454245786,C38H60O3,COC1=CC(O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1O,"InChI=1S/C38H60O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27,36,38-40H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+",VFOCBGJJNKIBIS,NSUIJKAQSA,N,"2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol",VFOCBGJJNKIBIS-NSUIJKAQSA-N
HMDB11662,444.360345402,C29H48O3,[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@]2([H])[C@]1(C)CC[C@H](O)[C@@]2(C)C(O)=O,"InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/t19-,21?,22+,23+,24-,25+,27-,28-,29+/m1/s1",UQFZKTIHSICSPG,UACSBYDTSA,N,3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate,UQFZKTIHSICSPG-UACSBYDTSA-N
HMDB11663,180.042258744,C9H8O4,OC(=O)C(=O)CC1=CC(O)=CC=C1,"InChI=1S/C9H8O4/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)",PNYWALDMLUDDTA,UHFFFAOYSA,N,3-Hydroxyphenylpyruvic acid,PNYWALDMLUDDTA-UHFFFAOYSA-N
HMDB11664,129.057849229,C9H7N,C=C1C=NC2=CC=CC=C12,"InChI=1S/C9H7N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H2",BCNUXXXHEIUHJB,UHFFFAOYSA,N,3-Methylene-indolenine,BCNUXXXHEIUHJB-UHFFFAOYSA-N
HMDB11667,204.074621504,C7H12N2O5,N[C@@H](CCC(=O)NCC(O)=O)C(O)=O,"InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1",ACIJGUBIMXQCMF,BYPYZUCNSA,N,5-L-Glutamylglycine,ACIJGUBIMXQCMF-BYPYZUCNSA-N
HMDB11668,341.132195961,C12H23NO10,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1",HEPUIGACZYVUCD,YZRQSVRMSA,N,6-(alpha-D-Glucosaminyl)-1D-myo-inositol,HEPUIGACZYVUCD-YZRQSVRMSA-N
HMDB11669,621.166999865,C21H36NO18P,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCC(COC(C)=O)OC(C)=O,"InChI=1S/C21H36NO18P/c1-7(24)22-12-14(28)13(27)11(4-23)38-21(12)39-19-17(31)15(29)16(30)18(32)20(19)40-41(33,34)36-6-10(37-9(3)26)5-35-8(2)25/h10-21,23,27-32H,4-6H2,1-3H3,(H,22,24)(H,33,34)/t10?,11-,12-,13-,14-,15-,16-,17+,18-,19-,20-,21-/m1/s1",PURMXIZHPMUYNW,DDSODLQFSA,N,6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,PURMXIZHPMUYNW-DDSODLQFSA-N
HMDB11670,363.057998961,C10H14N5O8P,NC1=NC(=O)C2=C(N1)N(C1C[C@H](O)C(COP(O)(O)=O)O1)C(=O)N2,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4?,5?/m0/s1",AQIVLFLYHYFRKU,KLFYCJEISA,N,8-Oxo-dGMP,AQIVLFLYHYFRKU-KLFYCJEISA-N
HMDB11671,621.027439217,C15H22N5O16P3,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC3OP(O)(=O)OC3C2O)[C@@H](O)[C@H]1O,"InChI=1S/C15H22N5O16P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-37(24,25)36-38(26,27)31-2-6-9(22)11-15(33-6)35-39(28,29)34-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9?,10-,11?,14-,15?/m1/s1",NPSPRYXPOGPCPM,PNUFQSOHSA,N,"ADP-ribose 1""-2"" cyclic phosphate",NPSPRYXPOGPCPM-PNUFQSOHSA-N
HMDB11672,330.110338308,C18H18O6,COC1=CC2=C(C(CO2)C(O)CO)C2=C1C1=C(C(=O)CC1)C(=O)C2,"InChI=1S/C18H18O6/c1-23-14-5-15-17(10(7-24-15)13(22)6-19)9-4-12(21)18-8(16(9)14)2-3-11(18)20/h5,10,13,19,22H,2-4,6-7H2,1H3",QEIDPNWKOZPLQZ,UHFFFAOYSA,N,Aflatoxin B1 dialcohol,QEIDPNWKOZPLQZ-UHFFFAOYSA-N
HMDB11673,1088.483445342,C47H82N2O22P2,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C47H82N2O22P2/c1-26(2)13-9-14-27(3)15-10-16-28(4)17-11-18-29(5)19-12-20-30(6)21-22-64-72(60,61)71-73(62,63)70-46-37(49-32(8)54)40(57)43(35(25-52)67-46)68-45-36(48-31(7)53)39(56)44(34(24-51)66-45)69-47-42(59)41(58)38(55)33(23-50)65-47/h13,15,17,19,30,33-47,50-52,55-59H,9-12,14,16,18,20-25H2,1-8H3,(H,48,53)(H,49,54)(H,60,61)(H,62,63)/b27-15+,28-17+,29-19+/t30?,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46-,47+/m1/s1",CMBCFQGXXHOGEH,LSMBNOQWSA,N,"Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol",CMBCFQGXXHOGEH-LSMBNOQWSA-N
HMDB11675,324.133789666,C13H25O7P,CCCCCCCCCC(=O)OCC(=O)COP(O)(O)=O,"InChI=1S/C13H25O7P/c1-2-3-4-5-6-7-8-9-13(15)19-10-12(14)11-20-21(16,17)18/h2-11H2,1H3,(H2,16,17,18)",DWBYHKXQHTVKTE,UHFFFAOYSA,N,DHAP(10:0),DWBYHKXQHTVKTE-UHFFFAOYSA-N
HMDB11676,148.037173366,C5H8O5,O[C@@H]1COC(=O)[C@H](O)[C@H]1O,"InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1",XXBSUZSONOQQGK,FLRLBIABSA,N,"D-Xylono-1,5-lactone",XXBSUZSONOQQGK-FLRLBIABSA-N
HMDB11677,312.10564686,C11H20O10,OC[C@H]1O[C@@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C11H20O10/c12-1-3-5(13)7(15)9(17)11(20-3)21-4-2-19-10(18)8(16)6(4)14/h3-18H,1-2H2/t3-,4-,5+,6+,7+,8-,9-,10-,11+/m1/s1",VCTBNHVCBSUQPG,YOUNRWHRSA,N,"Galactose-beta-1,4-xylose",VCTBNHVCBSUQPG-YOUNRWHRSA-N
HMDB11678,407.249414745,C23H37NO3S,SC[C@H](NC(=O)\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O,"InChI=1S/C23H37NO3S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-22(25)24-21(16-28)23(26)27/h9,11,13,15,21,28H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H,26,27)/b18-11+,19-13+,20-15+/t21-/m0/s1",UBCKUGRWFMEXIF,WONWMLGISA,N,Geranylgeranylcysteine,UBCKUGRWFMEXIF-WONWMLGISA-N
HMDB11679,268.07118941,C9H17O7P,CCCCCC(=O)OCC(=O)COP(O)(O)=O,"InChI=1S/C9H17O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h2-7H2,1H3,(H2,12,13,14)",DYGQOKMJJPXFMO,UHFFFAOYSA,N,DHAP(6:0),DYGQOKMJJPXFMO-UHFFFAOYSA-N
HMDB11680,330.036535238,C10H11N4O7P,OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)N1C=NC2=C1NC=NC2=O,"InChI=1S/C10H11N4O7P/c15-1-4-6-7(21-22(17,18)20-6)10(19-4)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1",SBJVDTBACUMFFD,KQYNXXCUSA,N,"Inosine 2',3'-cyclic phosphate",SBJVDTBACUMFFD-KQYNXXCUSA-N
HMDB11681,348.047099924,C10H13N4O8P,OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)N1C=NC2=C1NC=NC2=O,"InChI=1S/C10H13N4O8P/c15-1-4-6(16)7(22-23(18,19)20)10(21-4)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",PGZVUSPTYXQADT,KQYNXXCUSA,N,Inosine 2'-phosphate,PGZVUSPTYXQADT-KQYNXXCUSA-N
HMDB11683,344.039609243,C10H11N5O7P,NC1=NC(=O)C2=NC(CNC2=N1)C(=O)C1OP([O-])(=O)OCC1O,"InChI=1S/C10H12N5O7P/c11-10-14-8-5(9(18)15-10)13-3(1-12-8)6(17)7-4(16)2-21-23(19,20)22-7/h3-4,7,16H,1-2H2,(H,19,20)(H3,11,12,14,15,18)/p-1",YQGTWNYNWXGPDP,UHFFFAOYSA,M,Molybdopterin precursor Z,YQGTWNYNWXGPDP-UHFFFAOYSA-M
HMDB11684,272.209992772,C14H28N2O3,CCCCCCCC(=O)NCCCCC(N)C(O)=O,"InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-11-8-7-9-12(15)14(18)19/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19)",DUZODDYGMSCYMJ,UHFFFAOYSA,N,N(6)-(Octanoyl)lysine,DUZODDYGMSCYMJ-UHFFFAOYSA-N
HMDB11685,296.102489538,C11H21O7P,CCCCCCCC(=O)OCC(=O)COP(O)(O)=O,"InChI=1S/C11H21O7P/c1-2-3-4-5-6-7-11(13)17-8-10(12)9-18-19(14,15)16/h2-9H2,1H3,(H2,14,15,16)",PQQGELFARUCGEM,UHFFFAOYSA,N,DHAP(8:0),PQQGELFARUCGEM-UHFFFAOYSA-N
HMDB11686,284.089602866,C13H16O7,CC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1,"InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1",JPAUCQAJHLSMQW,XPORZQOISA,N,p-Cresol glucuronide,JPAUCQAJHLSMQW-XPORZQOISA-N
HMDB11687,292.142307138,C15H20N2O4,NC(=O)CCC(NC(=O)CCCC1=CC=CC=C1)C(O)=O,"InChI=1S/C15H20N2O4/c16-13(18)10-9-12(15(20)21)17-14(19)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,16,18)(H,17,19)(H,20,21)",XKQKXKRCMAJADR,UHFFFAOYSA,N,Phenylbutyrylglutamine,XKQKXKRCMAJADR-UHFFFAOYSA-N
HMDB11688,309.98548425,C5H12O11P2,O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]1COP(O)(O)=O,"InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1",AAAFZMYJJHWUPN,TXICZTDVSA,N,"Ribose 1,5-bisphosphate",AAAFZMYJJHWUPN-TXICZTDVSA-N
HMDB11689,947.266623627,C33H56N7O17P3S,CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28?,32-/m1/s1",IRFYVBULXZMEDE,XCFIPPSPSA,N,"Trans-2,3-dehydrododecanoyl-CoA",IRFYVBULXZMEDE-XCFIPPSPSA-N
HMDB11690,179.080709935,C7H9N5O,NCC1=CNC2=C1C(=O)NC(N)=N2,"InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)",MEYMBLGOKYDGLZ,UHFFFAOYSA,N,7-Aminomethyl-7-carbaguanine,MEYMBLGOKYDGLZ-UHFFFAOYSA-N
HMDB11691,305.041286265,C9H12N3O7P,NC1=NC(=O)N(C=C1)C1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12,"InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8?/m1/s1",NMPZCCZXCOMSDQ,ZRTZXPPTSA,N,"Cytidine 2',3'-cyclic phosphate",NMPZCCZXCOMSDQ-ZRTZXPPTSA-N
HMDB11692,323.051850951,C9H14N3O8P,NC1=NC(=O)N(C=C1)C1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O,"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8?/m1/s1",YQUAKORMLHPSLZ,ZRTZXPPTSA,N,Cytidine 2'-phosphate,YQUAKORMLHPSLZ-ZRTZXPPTSA-N
HMDB11694,785.653650134,C45H90N2O6P,CCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H89N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h19-20,36,38,43-44,48H,6-18,21-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/p+1/b20-19-,38-36+/t43-,44+/m0/s1",FOULCGVQZYQEQM,DNXGLLHMSA,O,SM(d16:1/24:1(15Z)),FOULCGVQZYQEQM-DNXGLLHMSA-O
HMDB11695,801.684950262,C46H94N2O6P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(O)(=O)OCC[N+](C)(C)C)[C@]([H])(O)\C=C\CCCCCCCCCCCC,"InChI=1S/C46H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-19-17-15-13-11-9-7-2/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/p+1/b39-37+/t44-,45+/m0/s1",NBEKBSIOEMQZTN,NMIJJABPSA,O,SM(d17:1/24:0),NBEKBSIOEMQZTN-NMIJJABPSA-O
HMDB11696,799.669300198,C46H92N2O6P,CCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-19-17-15-13-11-9-7-2/h20-21,37,39,44-45,49H,6-19,22-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/p+1/b21-20-,39-37+/t44-,45+/m0/s1",POQOEIGODOXWFL,HIMVLHDZSA,O,SM(d17:1/24:1(15Z)),POQOEIGODOXWFL-HIMVLHDZSA-O
HMDB11697,815.700600326,C47H96N2O6P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(O)(=O)OCC[N+](C)(C)C)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/p+1/b40-38+/t45-,46+/m0/s1",QEDPUVGSSDPBMD,XTAIVQBESA,O,SM(d18:1/24:0),QEDPUVGSSDPBMD-XTAIVQBESA-O
HMDB11698,843.731900454,C49H100N2O6P,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(O)(=O)OCC[N+](C)(C)C)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C49H99N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h40,42,47-48,52H,6-39,41,43-46H2,1-5H3,(H-,50,53,54,55)/p+1/b42-40+/t47-,48+/m0/s1",VRAWSAPVSSLIRI,MVUJCARGSA,O,SM(d18:1/26:0),VRAWSAPVSSLIRI-MVUJCARGSA-O
HMDB11699,827.700600326,C48H96N2O6P,CCCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H95N2O6P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-48(52)49-46(45-56-57(53,54)55-44-43-50(3,4)5)47(51)41-39-37-35-33-31-29-21-19-17-15-13-11-9-7-2/h20,22,39,41,46-47,51H,6-19,21,23-38,40,42-45H2,1-5H3,(H-,49,52,53,54)/p+1/b22-20-,41-39+/t46-,47+/m0/s1",BJXQFQDUJVIUAH,XSFBYAMLSA,O,SM(d19:1/24:1(15Z)),BJXQFQDUJVIUAH-XSFBYAMLSA-O
HMDB11700,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19,25-26,51H,4-15,17-18,20-24,27-50H2,1-3H3/b19-16-,26-25-/t51-/m0/s1",VVCOWDFFHRITHU,GYPIRRIZSA,N,"TG(15:0/16:0/20:2(11Z,14Z))",VVCOWDFFHRITHU-GYPIRRIZSA-N
HMDB11701,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,51H,4-15,17-18,20-24,27,29,31-50H2,1-3H3/b19-16-,26-25-,30-28-/t51-/m0/s1",NVBSJAZGISYRIW,GGVKXYRHSA,N,"TG(15:0/16:0/20:3(8Z,11Z,14Z))",NVBSJAZGISYRIW-GGVKXYRHSA-N
HMDB11702,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,35,38,51H,4-15,17-18,20-24,27,29,31-34,36-37,39-50H2,1-3H3/b19-16-,26-25-,30-28-,38-35-/t51-/m0/s1",LVHOHHSODZICOO,IIKXJSSRSA,N,"TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z))",LVHOHHSODZICOO-IIKXJSSRSA-N
HMDB11703,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,51H,4-15,17-18,20-24,26,28-50H2,1-3H3/b19-16-,27-25-/t51-/m0/s1",HRJZTBUCFKIMBE,RAOHQLCGSA,N,"TG(15:0/18:0/18:2(9Z,12Z))",HRJZTBUCFKIMBE-RAOHQLCGSA-N
HMDB11704,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,51H,4-6,8-9,11-15,17-18,20-24,26,28-50H2,1-3H3/b10-7-,19-16-,27-25-/t51-/m0/s1",QELMLHKKGIZABI,DSCMALIJSA,N,"TG(15:0/18:0/18:3(9Z,12Z,15Z))",QELMLHKKGIZABI-DSCMALIJSA-N
HMDB11705,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h25-26,49H,4-24,27-48H2,1-3H3/b26-25-/t49-/m0/s1",BSQPTNJXCHRJSC,PVPKLLLRSA,N,TG(15:0/18:1(9Z)/16:0),BSQPTNJXCHRJSC-PVPKLLLRSA-N
HMDB11706,816.720690811,C52H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,25-26,49H,4-19,21-22,24,27-48H2,1-3H3/b23-20-,26-25-/t49-/m0/s1",LPVYEZCNQWNPJQ,OPRAGXQSSA,N,TG(15:0/18:1(9Z)/16:1(9Z)),LPVYEZCNQWNPJQ-OPRAGXQSSA-N
HMDB11707,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,51H,4-24,29-50H2,1-3H3/b27-25-,28-26-/t51-/m0/s1",AWIUIZBTCDJMSM,FWGDPASGSA,N,TG(15:0/18:1(9Z)/18:1(9Z)),AWIUIZBTCDJMSM-FWGDPASGSA-N
HMDB11708,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,51H,4-15,17-18,20-24,29-50H2,1-3H3/b19-16-,27-25-,28-26-/t51-/m0/s1",AFUGNQFGFOCTMS,RVTXQWIBSA,N,"TG(15:0/18:1(9Z)/18:2(9Z,12Z))",AFUGNQFGFOCTMS-RVTXQWIBSA-N
HMDB11709,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,51H,4-6,8-9,11-15,17-18,20-24,29-50H2,1-3H3/b10-7-,19-16-,27-25-,28-26-/t51-/m0/s1",AKXOSLAHFAWDCG,RQILUXENSA,N,"TG(15:0/18:1(9Z)/18:3(9Z,12Z,15Z))",AKXOSLAHFAWDCG-RQILUXENSA-N
HMDB11710,816.720690811,C52H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,49H,4-15,17-18,20-24,27-48H2,1-3H3/b19-16-,26-25-/t49-/m0/s1",TWMJEQZMZVFJQP,ZDFZEWNHSA,N,"TG(15:0/18:2(9Z,12Z)/16:0)",TWMJEQZMZVFJQP-ZDFZEWNHSA-N
HMDB11711,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,51H,4-15,18,21-24,29-50H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t51-/m0/s1",MIHLTJZHRJACQQ,SYWDBLTRSA,N,"TG(15:0/18:2(9Z,12Z)/18:2(9Z,12Z))",MIHLTJZHRJACQQ-SYWDBLTRSA-N
HMDB11712,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,49H,4-14,16-17,19-48H2,1-3H3/b18-15-/t49-/m1/s1",OYJCGTSOIVQMIE,FBUBQAPCSA,N,TG(15:0/20:0/14:1(9Z)),OYJCGTSOIVQMIE-FBUBQAPCSA-N
HMDB11713,818.736340876,C52H98O6,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h24-25,49H,4-23,26-48H2,1-3H3/b25-24-/t49-/m1/s1",LJWLZNNKGFHCMA,ZAHSUTTFSA,N,TG(15:0/20:1(11Z)/14:0),LJWLZNNKGFHCMA-ZAHSUTTFSA-N
HMDB11714,210.05282343,C10H10O5,COC1=C(O)C=CC(CC(=O)C(O)=O)=C1,"InChI=1S/C10H10O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)",YGQHQTMRZPHIBB,UHFFFAOYSA,N,Vanilpyruvic acid,YGQHQTMRZPHIBB-UHFFFAOYSA-N
HMDB11716,253.095022595,C12H15NO5,COC1=CC(CC(NC(C)=O)C(O)=O)=CC=C1O,"InChI=1S/C12H15NO5/c1-7(14)13-9(12(16)17)5-8-3-4-10(15)11(6-8)18-2/h3-4,6,9,15H,5H2,1-2H3,(H,13,14)(H,16,17)",UKDKTHYZLXZOSS,UHFFFAOYSA,N,N-Acetylvanilalanine,UKDKTHYZLXZOSS-UHFFFAOYSA-N
HMDB11717,188.104859,C9H16O4,CCCCC[C@@H](CC(O)=O)C(O)=O,"InChI=1S/C9H16O4/c1-2-3-4-5-7(9(12)13)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",FNZSVEHJZREFPF,ZETCQYMHSA,N,Nonate,FNZSVEHJZREFPF-ZETCQYMHSA-N
HMDB11718,122.036779436,C7H6O2,OC1=CC=C(C=O)C=C1,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",RGHHSNMVTDWUBI,UHFFFAOYSA,N,4-Hydroxybenzaldehyde,RGHHSNMVTDWUBI-UHFFFAOYSA-N
HMDB11719,262.014723364,C9H10O7S,COC1=CC(CC(O)=O)=CC=C1OS(O)(=O)=O,"InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)",IACOAKYXFIWAQN,UHFFFAOYSA,N,Homovanillic acid sulfate,IACOAKYXFIWAQN-UHFFFAOYSA-N
HMDB11720,679.102698849,C20H31N3O19P2,CC(OC1C(O)C(CO)OC(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=CC(=O)NC2=O)C1NC(C)=O)C(O)=O,"InChI=1S/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)",NQBRVZNDBBMBLJ,UHFFFAOYSA,N,UDP-N-acetylmuraminate,NQBRVZNDBBMBLJ-UHFFFAOYSA-N
HMDB11721,238.084123558,C12H14O5,COC1=CC=C(\C=C\C(O)=O)C(OC)=C1OC,"InChI=1S/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b7-5+",ZYOPDNLIHHFGEC,FNORWQNLSA,N,"Trans-2, 3, 4-Trimethoxycinnamate",ZYOPDNLIHHFGEC-FNORWQNLSA-N
HMDB11723,193.073893223,C10H11NO3,CC1=CC=CC=C1C(=O)NCC(O)=O,"InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)",YOEBAVRJHRCKRE,UHFFFAOYSA,N,2-Methylhippuric acid,YOEBAVRJHRCKRE-UHFFFAOYSA-N
HMDB11724,124.0524295,C7H8O2,OCC1=CC=C(O)C=C1,"InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2",BVJSUAQZOZWCKN,UHFFFAOYSA,N,4-Hydroxybenzyl alcohol,BVJSUAQZOZWCKN-UHFFFAOYSA-N
HMDB11725,217.988508614,C7H6O6S,OC(=O)C1=C(O)C=CC(=C1)S(O)(=O)=O,"InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)",YCPXWRQRBFJBPZ,UHFFFAOYSA,N,5-Sulfosalicylic acid,YCPXWRQRBFJBPZ-UHFFFAOYSA-N
HMDB11727,163.084457909,C6H13NO4,OCCN(CCO)CC(O)=O,"InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)",FSVCELGFZIQNCK,UHFFFAOYSA,N,Bicine,FSVCELGFZIQNCK-UHFFFAOYSA-N
HMDB11728,1075.556312875,C50H73N15O12,N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O,"InChI=1S/C50H73N15O12/c51-32(15-7-19-56-49(52)53)45(73)64-22-10-18-38(64)47(75)65-27-31(67)25-39(65)43(71)58-26-40(68)59-34(23-29-11-3-1-4-12-29)41(69)62-36(28-66)46(74)63-21-9-17-37(63)44(72)61-35(24-30-13-5-2-6-14-30)42(70)60-33(48(76)77)16-8-20-57-50(54)55/h1-6,11-14,31-39,66-67H,7-10,15-28,51H2,(H,58,71)(H,59,68)(H,60,70)(H,61,72)(H,62,69)(H,76,77)(H4,52,53,56)(H4,54,55,57)/t31-,32+,33+,34+,35+,36+,37+,38+,39+/m1/s1",JXRLHZCEMXTCBN,DIBGMJQNSA,N,Bradykinin hydroxyproline,JXRLHZCEMXTCBN-DIBGMJQNSA-N
HMDB11729,504.169034976,C18H32O16,OC[C@H]1O[C@@](CO)(OC[C@@]2(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1",VAWYEUIPHLMNNF,OESPXIITSA,N,1-Kestose,VAWYEUIPHLMNNF-OESPXIITSA-N
HMDB11730,504.169034976,C18H32O16,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,"InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1",QWIZNVHXZXRPDR,WSCXOGSTSA,N,Melezitose,QWIZNVHXZXRPDR-WSCXOGSTSA-N
HMDB11731,194.042652674,C6H10O7,OCC(=O)C(O)C(O)C(O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)",IZSRJDGCGRAUAR,UHFFFAOYSA,N,5-Keto-D-gluconate,IZSRJDGCGRAUAR-UHFFFAOYSA-N
HMDB11732,194.042652674,C6H10O7,OCC(O)C(O)C(O)C(=O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)",VBUYCZFBVCCYFD,UHFFFAOYSA,N,2-Keto-L-gluconate,VBUYCZFBVCCYFD-UHFFFAOYSA-N
HMDB11733,132.053492132,C4H8N2O3,NCC(=O)NCC(O)=O,"InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)",YMAWOPBAYDPSLA,UHFFFAOYSA,N,Glycyl-glycine,YMAWOPBAYDPSLA-UHFFFAOYSA-N
HMDB11734,230.01915384,C5H11O8P,O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)C=O,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1",PPQRONHOSHZGFQ,WDCZJNDASA,N,D-Arabinose 5-phosphate,PPQRONHOSHZGFQ-WDCZJNDASA-N
HMDB11737,276.095750876,C10H16N2O7,N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1",OWQDWQKWSLFFFR,WDSKDSINSA,N,Gamma Glutamylglutamic acid,OWQDWQKWSLFFFR-WDSKDSINSA-N
HMDB11738,275.111735291,C10H17N3O6,N[C@@H](CCC(=O)N[C@@H](CCC(N)=O)C(O)=O)C(O)=O,"InChI=1S/C10H17N3O6/c11-5(9(16)17)1-4-8(15)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1",JBFYFLXEJFQWMU,WDSKDSINSA,N,Gamma-Glutamyl Glutamine,JBFYFLXEJFQWMU-WDSKDSINSA-N
HMDB11739,378.137340918,C12H26O13,O.O.OC[C@H]1O[C@H](OC2[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H22O11.2H2O/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20;;/h2-21H,1H2;2*1H2/t2-,3+,4+,5?,6-,7+,8-,9-,10-,11?,12-;;/m1../s1",HGCURVXTXVAIIR,XIENVMDPSA,N,Galactinol dihydrate,HGCURVXTXVAIIR-XIENVMDPSA-N
HMDB11740,342.116211546,C12H22O11,OC[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO,"InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1",RULSWEULPANCDV,PIXUTMIVSA,N,Turanose,RULSWEULPANCDV-PIXUTMIVSA-N
HMDB11741,310.116486318,C14H18N2O6,N[C@@H](CCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)C(O)=O,"InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)/t10-,11-/m0/s1",VVLXCWVSSLFQDS,QWRGUYRKSA,N,Gamma-Glutamyltyrosine,VVLXCWVSSLFQDS-QWRGUYRKSA-N
HMDB11742,342.116211546,C12H22O11,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O,"InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1",PZDOWFGHCNHPQD,OQPGPFOOSA,N,Kojibiose,PZDOWFGHCNHPQD-OQPGPFOOSA-N
HMDB11743,150.068079564,C9H10O2,CC(C(O)=O)C1=CC=CC=C1,"InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)",YPGCWEMNNLXISK,UHFFFAOYSA,N,2-Phenylpropionate,YPGCWEMNNLXISK-UHFFFAOYSA-N
HMDB11745,191.061613977,C7H13NO3S,CSCCC(NC(C)=O)C(O)=O,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)",XUYPXLNMDZIRQH,UHFFFAOYSA,N,N-Acetyl-L-methionine,XUYPXLNMDZIRQH-UHFFFAOYSA-N
HMDB11747,125.024179639,C2H8NO3P,NCCP(O)(O)=O,"InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)",QQVDJLLNRSOCEL,UHFFFAOYSA,N,Ciliatine,QQVDJLLNRSOCEL-UHFFFAOYSA-N
HMDB11749,99.068413915,C5H9NO,O=C1CCCCN1,"InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)",XUWHAWMETYGRKB,UHFFFAOYSA,N,2-Piperidinone,XUWHAWMETYGRKB-UHFFFAOYSA-N
HMDB11750,197.99293909,C4H7O7P,OP(O)(=O)OCC(=O)COC=O,"InChI=1S/C4H7O7P/c5-3-10-1-4(6)2-11-12(7,8)9/h3H,1-2H2,(H2,7,8,9)",IWFZHMQFZRLGDQ,UHFFFAOYSA,N,Dihydroxyacetone Phosphate Acyl Ester,IWFZHMQFZRLGDQ-UHFFFAOYSA-N
HMDB11751,180.07864425,C10H12O3,COC1=CC(CCC(O)=O)=CC=C1,"InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)",BJJQJLOZWBZEGA,UHFFFAOYSA,N,3-Methoxybenzenepropanoic acid,BJJQJLOZWBZEGA-UHFFFAOYSA-N
HMDB11753,133.037507717,C4H7NO4,OC(=O)CNCC(O)=O,"InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)",NBZBKCUXIYYUSX,UHFFFAOYSA,N,Iminodiacetic acid,NBZBKCUXIYYUSX-UHFFFAOYSA-N
HMDB11754,211.084457909,C10H13NO4,C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1",CJCSPKMFHVPWAR,JTQLQIEISA,N,Methyldopa,CJCSPKMFHVPWAR-JTQLQIEISA-N
HMDB11756,173.105193351,C8H15NO3,CC(C)C[C@H](NC(C)=O)C(O)=O,"InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1",WXNXCEHXYPACJF,ZETCQYMHSA,N,N-Acetylleucine,WXNXCEHXYPACJF-ZETCQYMHSA-N
HMDB11757,159.089543287,C7H13NO3,CC(C)C(NC(C)=O)C(O)=O,"InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)",IHYJTAOFMMMOPX,UHFFFAOYSA,N,N-Acetylvaline,IHYJTAOFMMMOPX-UHFFFAOYSA-N
HMDB11758,483.465144823,C30H61NO3,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC,"InChI=1S/C30H61NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h28-29,32-33H,3-27H2,1-2H3,(H,31,34)/t28-,29+/m0/s1",UHWYQXNZIBLESO,URLMMPGGSA,N,Cer(d18:0/12:0),UHWYQXNZIBLESO-URLMMPGGSA-N
HMDB11759,511.496444951,C32H65NO3,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C32H65NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1",UDTSZXVRDXQARY,IOWSJCHKSA,N,Cer(d18:0/14:0),UDTSZXVRDXQARY-IOWSJCHKSA-N
HMDB11760,539.527745079,C34H69NO3,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C34H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)/t32-,33+/m0/s1",GCGTXOVNNFGTPQ,JHOUSYSJSA,N,Cer(d18:0/16:0),GCGTXOVNNFGTPQ-JHOUSYSJSA-N
HMDB11761,567.559045207,C36H73NO3,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1",KZTJQXAANJHSCE,OIDHKYIRSA,N,Cer(d18:0/18:0),KZTJQXAANJHSCE-OIDHKYIRSA-N
HMDB11762,565.543395143,C36H71NO3,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,34-35,38-39H,3-12,14,16-33H2,1-2H3,(H,37,40)/b15-13-/t34-,35+/m0/s1",URHLXWKKSRFRJJ,RLMMGFKESA,N,Cer(d18:0/18:1(11Z)),URHLXWKKSRFRJJ-RLMMGFKESA-N
HMDB11763,565.543395143,C36H71NO3,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,34-35,38-39H,3-16,19-33H2,1-2H3,(H,37,40)/b18-17-/t34-,35+/m0/s1",MJQIARGPQMNBGT,WWUCIAQXSA,N,Cer(d18:0/18:1(9Z)),MJQIARGPQMNBGT-WWUCIAQXSA-N
HMDB11764,595.590345335,C38H77NO3,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1",ZWAUSWHRQBSECP,PQQNNWGCSA,N,Cer(d18:0/20:0),ZWAUSWHRQBSECP-PQQNNWGCSA-N
HMDB11765,623.621645463,C40H81NO3,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C40H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38-39,42-43H,3-37H2,1-2H3,(H,41,44)/t38-,39+/m0/s1",SXPRAKSDHOEHIG,ZESVVUHVSA,N,Cer(d18:0/22:0),SXPRAKSDHOEHIG-ZESVVUHVSA-N
HMDB11766,621.605995399,C40H79NO3,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,38-39,42-43H,3-16,19-37H2,1-2H3,(H,41,44)/b18-17-/t38-,39+/m0/s1",AOHMXFJFQLUIJL,RDUWXOKWSA,N,Cer(d18:0/22:1(13Z)),AOHMXFJFQLUIJL-RDUWXOKWSA-N
HMDB11767,637.637295527,C41H83NO3,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C41H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-40,43-44H,3-38H2,1-2H3,(H,42,45)/t39-,40+/m0/s1",FTSDYFFYZJTACJ,IOLBBIBUSA,N,Cer(d18:0/23:0),FTSDYFFYZJTACJ-IOLBBIBUSA-N
HMDB11768,651.652945591,C42H85NO3,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C42H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1",BPLYVSYSBPLDOA,WVILEFPPSA,N,Cer(d18:0/24:0),BPLYVSYSBPLDOA-WVILEFPPSA-N
HMDB11769,649.637295527,C42H83NO3,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,40-41,44-45H,3-16,19-39H2,1-2H3,(H,43,46)/b18-17-/t40-,41+/m0/s1",YUULKFVZRXQHPM,ATHUGRIKSA,N,Cer(d18:0/24:1(15Z)),YUULKFVZRXQHPM-ATHUGRIKSA-N
HMDB11770,665.668595655,C43H87NO3,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C43H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h41-42,45-46H,3-40H2,1-2H3,(H,44,47)/t41-,42+/m0/s1",HCDLRJUFVJOBJP,ACEXITHZSA,N,Cer(d18:0/25:0),HCDLRJUFVJOBJP-ACEXITHZSA-N
HMDB11771,679.684245719,C44H89NO3,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C44H89NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h42-43,46-47H,3-41H2,1-2H3,(H,45,48)/t42-,43+/m0/s1",NWERZHCPHDHUMO,WZYYJWNZSA,N,Cer(d18:0/26:0),NWERZHCPHDHUMO-WZYYJWNZSA-N
HMDB11772,677.668595655,C44H87NO3,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,42-43,46-47H,3-16,19-41H2,1-2H3,(H,45,48)/b18-17-/t42-,43+/m0/s1",CTSPXOBSUIWAAB,SNMLQRCYSA,N,Cer(d18:0/26:1(17Z)),CTSPXOBSUIWAAB-SNMLQRCYSA-N
HMDB11773,509.480794887,C32H63NO3,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1",ZKRPGPZHULJLKJ,JHRQRACZSA,N,Cer(d18:1/14:0),ZKRPGPZHULJLKJ-JHRQRACZSA-N
HMDB11774,563.527745079,C36H69NO3,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,29,31,34-35,38-39H,3-12,14,16-28,30,32-33H2,1-2H3,(H,37,40)/b15-13-,31-29+/t34-,35+/m0/s1",TZXPILCYVLWMNW,MZPNUNNSSA,N,Cer(d18:1/18:1(11Z)),TZXPILCYVLWMNW-MZPNUNNSSA-N
HMDB11775,619.590345335,C40H77NO3,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,33,35,38-39,42-43H,3-16,19-32,34,36-37H2,1-2H3,(H,41,44)/b18-17-,35-33+/t38-,39+/m0/s1",YHMJTZZWEXBHQK,MUDOESHNSA,N,Cer(d18:1/22:1(13Z)),YHMJTZZWEXBHQK-MUDOESHNSA-N
HMDB11777,1753.898571721,C79H139N3O39,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C79H139N3O39/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-45(92)44(82-54(97)29-27-25-23-20-15-13-11-9-7-2)39-110-73-62(103)61(102)66(52(37-87)113-73)116-75-64(105)71(121-79(77(108)109)32-47(94)56(81-42(5)91)69(119-79)58(99)49(96)34-84)67(53(38-88)114-75)117-72-43(30-40(3)89)65(59(100)50(35-85)111-72)115-74-63(104)70(60(101)51(36-86)112-74)120-78(76(106)107)31-46(93)55(80-41(4)90)68(118-78)57(98)48(95)33-83/h43-53,55-75,83-88,92-96,98-105H,6-39H2,1-5H3,(H,80,90)(H,81,91)(H,82,97)(H,106,107)(H,108,109)/t43-,44+,45-,46+,47+,48-,49-,50-,51-,52-,53-,55-,56-,57-,58-,59+,60+,61-,62-,63-,64-,65-,66-,67+,68?,69?,70+,71-,72+,73-,74+,75+,78+,79+/m1/s1",OPAYVKYRLBUPFG,QQIFVPJNSA,N,Ganglioside GD1a (d18:0/12:0),OPAYVKYRLBUPFG-QQIFVPJNSA-N
HMDB11778,1781.929871849,C81H143N3O39,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C81H143N3O39/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-47(94)46(84-56(99)31-29-27-25-23-20-17-15-13-11-9-7-2)41-112-75-64(105)63(104)68(54(39-89)115-75)118-77-66(107)73(123-81(79(110)111)34-49(96)58(83-44(5)93)71(121-81)60(101)51(98)36-86)69(55(40-90)116-77)119-74-45(32-42(3)91)67(61(102)52(37-87)113-74)117-76-65(106)72(62(103)53(38-88)114-76)122-80(78(108)109)33-48(95)57(82-43(4)92)70(120-80)59(100)50(97)35-85/h45-55,57-77,85-90,94-98,100-107H,6-41H2,1-5H3,(H,82,92)(H,83,93)(H,84,99)(H,108,109)(H,110,111)/t45-,46+,47-,48+,49+,50-,51-,52-,53-,54-,55-,57-,58-,59-,60-,61+,62+,63-,64-,65-,66-,67-,68-,69+,70?,71?,72+,73-,74+,75-,76+,77+,80+,81+/m1/s1",HJEZDYOEWQUOGO,XDQOQRGSSA,N,Ganglioside GD1a (d18:0/14:0),HJEZDYOEWQUOGO-XDQOQRGSSA-N
HMDB11779,1809.961171977,C83H147N3O39,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H147N3O39/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-49(96)48(86-58(101)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)43-114-77-66(107)65(106)70(56(41-91)117-77)120-79-68(109)75(125-83(81(112)113)36-51(98)60(85-46(5)95)73(123-83)62(103)53(100)38-88)71(57(42-92)118-79)121-76-47(34-44(3)93)69(63(104)54(39-89)115-76)119-78-67(108)74(64(105)55(40-90)116-78)124-82(80(110)111)35-50(97)59(84-45(4)94)72(122-82)61(102)52(99)37-87/h47-57,59-79,87-92,96-100,102-109H,6-43H2,1-5H3,(H,84,94)(H,85,95)(H,86,101)(H,110,111)(H,112,113)/t47-,48+,49-,50+,51+,52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64+,65-,66-,67-,68-,69-,70-,71+,72?,73?,74+,75-,76+,77-,78+,79+,82+,83+/m1/s1",SKOSXMYBOFVVBF,HOLYNEPTSA,N,Ganglioside GD1a (d18:0/16:0),SKOSXMYBOFVVBF-HOLYNEPTSA-N
HMDB11780,1837.992472105,C85H151N3O39,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C85H151N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(103)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-68(109)67(108)72(58(43-93)119-79)122-81-70(111)77(127-85(83(114)115)38-53(100)62(87-48(5)97)75(125-85)64(105)55(102)40-90)73(59(44-94)120-81)123-78-49(36-46(3)95)71(65(106)56(41-91)117-78)121-80-69(110)76(66(107)57(42-92)118-80)126-84(82(112)113)37-52(99)61(86-47(4)96)74(124-84)63(104)54(101)39-89/h49-59,61-81,89-94,98-102,104-111H,6-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,103)(H,112,113)(H,114,115)/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76+,77-,78+,79-,80+,81+,84+,85+/m1/s1",WPIVTGKDYBIKRA,XCSDPKIZSA,N,Ganglioside GD1a (d18:0/18:0),WPIVTGKDYBIKRA-XCSDPKIZSA-N
HMDB11781,1835.976822041,C85H149N3O39,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H149N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(103)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-68(109)67(108)72(58(43-93)119-79)122-81-70(111)77(127-85(83(114)115)38-53(100)62(87-48(5)97)75(125-85)64(105)55(102)40-90)73(59(44-94)120-81)123-78-49(36-46(3)95)71(65(106)56(41-91)117-78)121-80-69(110)76(66(107)57(42-92)118-80)126-84(82(112)113)37-52(99)61(86-47(4)96)74(124-84)63(104)54(101)39-89/h16,18,49-59,61-81,89-94,98-102,104-111H,6-15,17,19-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,103)(H,112,113)(H,114,115)/b18-16-/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76+,77-,78+,79-,80+,81+,84+,85+/m1/s1",DQPOXBFRLILIST,NUYBJUMUSA,N,Ganglioside GD1a (d18:0/18:1(11Z)),DQPOXBFRLILIST-NUYBJUMUSA-N
HMDB11782,1835.976822041,C85H149N3O39,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H149N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(103)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-68(109)67(108)72(58(43-93)119-79)122-81-70(111)77(127-85(83(114)115)38-53(100)62(87-48(5)97)75(125-85)64(105)55(102)40-90)73(59(44-94)120-81)123-78-49(36-46(3)95)71(65(106)56(41-91)117-78)121-80-69(110)76(66(107)57(42-92)118-80)126-84(82(112)113)37-52(99)61(86-47(4)96)74(124-84)63(104)54(101)39-89/h20-21,49-59,61-81,89-94,98-102,104-111H,6-19,22-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,103)(H,112,113)(H,114,115)/b21-20-/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76+,77-,78+,79-,80+,81+,84+,85+/m1/s1",QTIOLIOZYGKKSA,URGRIYDISA,N,Ganglioside GD1a (d18:0/18:1(9Z)),QTIOLIOZYGKKSA-URGRIYDISA-N
HMDB11783,1866.023772233,C87H155N3O39,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C87H155N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-62(105)90-52(53(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)47-118-81-70(111)69(110)74(60(45-95)121-81)124-83-72(113)79(129-87(85(116)117)40-55(102)64(89-50(5)99)77(127-87)66(107)57(104)42-92)75(61(46-96)122-83)125-80-51(38-48(3)97)73(67(108)58(43-93)119-80)123-82-71(112)78(68(109)59(44-94)120-82)128-86(84(114)115)39-54(101)63(88-49(4)98)76(126-86)65(106)56(103)41-91/h51-61,63-83,91-96,100-104,106-113H,6-47H2,1-5H3,(H,88,98)(H,89,99)(H,90,105)(H,114,115)(H,116,117)/t51-,52+,53-,54+,55+,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68+,69-,70-,71-,72-,73-,74-,75+,76?,77?,78+,79-,80+,81-,82+,83+,86+,87+/m1/s1",ORBQFYQSXIXYDD,JGXQCPDWSA,N,Ganglioside GD1a (d18:0/20:0),ORBQFYQSXIXYDD-JGXQCPDWSA-N
HMDB11784,1894.055072361,C89H159N3O39,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C89H159N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(107)92-54(55(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)49-120-83-72(113)71(112)76(62(47-97)123-83)126-85-74(115)81(131-89(87(118)119)42-57(104)66(91-52(5)101)79(129-89)68(109)59(106)44-94)77(63(48-98)124-85)127-82-53(40-50(3)99)75(69(110)60(45-95)121-82)125-84-73(114)80(70(111)61(46-96)122-84)130-88(86(116)117)41-56(103)65(90-51(4)100)78(128-88)67(108)58(105)43-93/h53-63,65-85,93-98,102-106,108-115H,6-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,107)(H,116,117)(H,118,119)/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80+,81-,82+,83-,84+,85+,88+,89+/m1/s1",DQRCZYCJJBNLPN,KXHCPGHMSA,N,Ganglioside GD1a (d18:0/22:0),DQRCZYCJJBNLPN-KXHCPGHMSA-N
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HMDB11819,1936.102022553,C92H165N3O39,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C92H165N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-67(109)95-57(58(105)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)52-123-86-77(117)75(115)80(65(50-100)126-86)129-88-78(118)84(81(66(51-101)127-88)130-85-56(43-53(3)102)79(72(112)63(48-98)124-85)128-87-76(116)74(114)71(111)62(47-97)125-87)134-92(90(121)122)45-60(107)69(94-55(5)104)83(133-92)73(113)64(49-99)131-91(89(119)120)44-59(106)68(93-54(4)103)82(132-91)70(110)61(108)46-96/h56-66,68-88,96-101,105-108,110-118H,6-52H2,1-5H3,(H,93,103)(H,94,104)(H,95,109)(H,119,120)(H,121,122)/t56-,57+,58-,59+,60+,61-,62-,63-,64-,65-,66-,68-,69-,70-,71+,72+,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84-,85+,86-,87+,88+,91-,92+/m1/s1",KITHRJKYUGAVPE,PNRCCYMMSA,N,Ganglioside GD1b (d18:0/25:0),KITHRJKYUGAVPE-PNRCCYMMSA-N
HMDB11820,1950.117672617,C93H167N3O39,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C93H167N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(110)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-78(118)76(116)81(66(51-101)127-87)130-89-79(119)85(82(67(52-102)128-89)131-86-57(44-54(3)103)80(73(113)64(49-99)125-86)129-88-77(117)75(115)72(112)63(48-98)126-88)135-93(91(122)123)46-61(108)70(95-56(5)105)84(134-93)74(114)65(50-100)132-92(90(120)121)45-60(107)69(94-55(4)104)83(133-92)71(111)62(109)47-97/h57-67,69-89,97-102,106-109,111-119H,6-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,110)(H,120,121)(H,122,123)/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72+,73+,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85-,86+,87-,88+,89+,92-,93+/m1/s1",VSMVHWJQLPPLQA,KDUBURPXSA,N,Ganglioside GD1b (d18:0/26:0),VSMVHWJQLPPLQA-KDUBURPXSA-N
HMDB11821,1948.102022553,C93H165N3O39,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C93H165N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(110)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-78(118)76(116)81(66(51-101)127-87)130-89-79(119)85(82(67(52-102)128-89)131-86-57(44-54(3)103)80(73(113)64(49-99)125-86)129-88-77(117)75(115)72(112)63(48-98)126-88)135-93(91(122)123)46-61(108)70(95-56(5)105)84(134-93)74(114)65(50-100)132-92(90(120)121)45-60(107)69(94-55(4)104)83(133-92)71(111)62(109)47-97/h20-21,57-67,69-89,97-102,106-109,111-119H,6-19,22-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,110)(H,120,121)(H,122,123)/b21-20-/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72+,73+,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85-,86+,87-,88+,89+,92-,93+/m1/s1",UAKVFUWDGIZDMA,HLIYLXEFSA,N,Ganglioside GD1b (d18:0/26:1(17Z)),UAKVFUWDGIZDMA-HLIYLXEFSA-N
HMDB11822,1751.882921657,C79H137N3O39,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C79H137N3O39/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-45(92)44(82-54(96)29-27-25-23-20-15-13-11-9-7-2)39-110-73-64(104)62(102)67(52(37-87)113-73)116-75-65(105)71(68(53(38-88)114-75)117-72-43(30-40(3)89)66(59(99)50(35-85)111-72)115-74-63(103)61(101)58(98)49(34-84)112-74)121-79(77(108)109)32-47(94)56(81-42(5)91)70(120-79)60(100)51(36-86)118-78(76(106)107)31-46(93)55(80-41(4)90)69(119-78)57(97)48(95)33-83/h26,28,43-53,55-75,83-88,92-95,97-105H,6-25,27,29-39H2,1-5H3,(H,80,90)(H,81,91)(H,82,96)(H,106,107)(H,108,109)/b28-26+/t43-,44+,45-,46+,47+,48-,49-,50-,51-,52-,53-,55-,56-,57-,58+,59+,60-,61+,62-,63-,64-,65-,66-,67-,68+,69?,70?,71-,72+,73-,74+,75+,78-,79+/m1/s1",SQELTNKUJQPYGM,NHYUQTRCSA,N,Ganglioside GD1b (d18:1/12:0),SQELTNKUJQPYGM-NHYUQTRCSA-N
HMDB11823,1779.914221785,C81H141N3O39,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C81H141N3O39/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-47(94)46(84-56(98)31-29-27-25-23-20-17-15-13-11-9-7-2)41-112-75-66(106)64(104)69(54(39-89)115-75)118-77-67(107)73(70(55(40-90)116-77)119-74-45(32-42(3)91)68(61(101)52(37-87)113-74)117-76-65(105)63(103)60(100)51(36-86)114-76)123-81(79(110)111)34-49(96)58(83-44(5)93)72(122-81)62(102)53(38-88)120-80(78(108)109)33-48(95)57(82-43(4)92)71(121-80)59(99)50(97)35-85/h28,30,45-55,57-77,85-90,94-97,99-107H,6-27,29,31-41H2,1-5H3,(H,82,92)(H,83,93)(H,84,98)(H,108,109)(H,110,111)/b30-28+/t45-,46+,47-,48+,49+,50-,51-,52-,53-,54-,55-,57-,58-,59-,60+,61+,62-,63+,64-,65-,66-,67-,68-,69-,70+,71?,72?,73-,74+,75-,76+,77+,80-,81+/m1/s1",GTPCODUDIVJOLG,HGDCZEBQSA,N,Ganglioside GD1b (d18:1/14:0),GTPCODUDIVJOLG-HGDCZEBQSA-N
HMDB11824,1807.945521913,C83H145N3O39,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C83H145N3O39/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-49(96)48(86-58(100)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)43-114-77-68(108)66(106)71(56(41-91)117-77)120-79-69(109)75(72(57(42-92)118-79)121-76-47(34-44(3)93)70(63(103)54(39-89)115-76)119-78-67(107)65(105)62(102)53(38-88)116-78)125-83(81(112)113)36-51(98)60(85-46(5)95)74(124-83)64(104)55(40-90)122-82(80(110)111)35-50(97)59(84-45(4)94)73(123-82)61(101)52(99)37-87/h30,32,47-57,59-79,87-92,96-99,101-109H,6-29,31,33-43H2,1-5H3,(H,84,94)(H,85,95)(H,86,100)(H,110,111)(H,112,113)/b32-30+/t47-,48+,49-,50+,51+,52-,53-,54-,55-,56-,57-,59-,60-,61-,62+,63+,64-,65+,66-,67-,68-,69-,70-,71-,72+,73?,74?,75-,76+,77-,78+,79+,82-,83+/m1/s1",GRGARPRHAYNQDP,HPUFLENBSA,N,Ganglioside GD1b (d18:1/16:0),GRGARPRHAYNQDP-HPUFLENBSA-N
HMDB11825,1835.976822041,C85H149N3O39,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C85H149N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(102)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-70(110)68(108)73(58(43-93)119-79)122-81-71(111)77(74(59(44-94)120-81)123-78-49(36-46(3)95)72(65(105)56(41-91)117-78)121-80-69(109)67(107)64(104)55(40-90)118-80)127-85(83(114)115)38-53(100)62(87-48(5)97)76(126-85)66(106)57(42-92)124-84(82(112)113)37-52(99)61(86-47(4)96)75(125-84)63(103)54(101)39-89/h32,34,49-59,61-81,89-94,98-101,103-111H,6-31,33,35-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,102)(H,112,113)(H,114,115)/b34-32+/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,81+,84-,85+/m1/s1",NQLDTTCWDNHHFF,LUUMXOGPSA,N,Ganglioside GD1b (d18:1/18:0),NQLDTTCWDNHHFF-LUUMXOGPSA-N
HMDB11826,1833.961171977,C85H147N3O39,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H147N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(102)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-70(110)68(108)73(58(43-93)119-79)122-81-71(111)77(74(59(44-94)120-81)123-78-49(36-46(3)95)72(65(105)56(41-91)117-78)121-80-69(109)67(107)64(104)55(40-90)118-80)127-85(83(114)115)38-53(100)62(87-48(5)97)76(126-85)66(106)57(42-92)124-84(82(112)113)37-52(99)61(86-47(4)96)75(125-84)63(103)54(101)39-89/h16,18,32,34,49-59,61-81,89-94,98-101,103-111H,6-15,17,19-31,33,35-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,102)(H,112,113)(H,114,115)/b18-16-,34-32+/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,81+,84-,85+/m1/s1",LJYBETSSEHBGJS,COHFBMHJSA,N,Ganglioside GD1b (d18:1/18:1(11Z)),LJYBETSSEHBGJS-COHFBMHJSA-N
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HMDB11828,1864.008122169,C87H153N3O39,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C87H153N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-62(104)90-52(53(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)47-118-81-72(112)70(110)75(60(45-95)121-81)124-83-73(113)79(76(61(46-96)122-83)125-80-51(38-48(3)97)74(67(107)58(43-93)119-80)123-82-71(111)69(109)66(106)57(42-92)120-82)129-87(85(116)117)40-55(102)64(89-50(5)99)78(128-87)68(108)59(44-94)126-86(84(114)115)39-54(101)63(88-49(4)98)77(127-86)65(105)56(103)41-91/h34,36,51-61,63-83,91-96,100-103,105-113H,6-33,35,37-47H2,1-5H3,(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t51-,52+,53-,54+,55+,56-,57-,58-,59-,60-,61-,63-,64-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74-,75-,76+,77?,78?,79-,80+,81-,82+,83+,86-,87+/m1/s1",MVSUTDKWHKPPRZ,LFCYLBOXSA,N,Ganglioside GD1b (d18:1/20:0),MVSUTDKWHKPPRZ-LFCYLBOXSA-N
HMDB11829,1892.039422297,C89H157N3O39,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C89H157N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(106)92-54(55(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)49-120-83-74(114)72(112)77(62(47-97)123-83)126-85-75(115)81(78(63(48-98)124-85)127-82-53(40-50(3)99)76(69(109)60(45-95)121-82)125-84-73(113)71(111)68(108)59(44-94)122-84)131-89(87(118)119)42-57(104)66(91-52(5)101)80(130-89)70(110)61(46-96)128-88(86(116)117)41-56(103)65(90-51(4)100)79(129-88)67(107)58(105)43-93/h36,38,53-63,65-85,93-98,102-105,107-115H,6-35,37,39-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,106)(H,116,117)(H,118,119)/b38-36+/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68+,69+,70-,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81-,82+,83-,84+,85+,88-,89+/m1/s1",HOVHBTPUTWUCMV,ONIVVVIBSA,N,Ganglioside GD1b (d18:1/22:0),HOVHBTPUTWUCMV-ONIVVVIBSA-N
HMDB11830,1890.023772233,C89H155N3O39,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H155N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(106)92-54(55(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)49-120-83-74(114)72(112)77(62(47-97)123-83)126-85-75(115)81(78(63(48-98)124-85)127-82-53(40-50(3)99)76(69(109)60(45-95)121-82)125-84-73(113)71(111)68(108)59(44-94)122-84)131-89(87(118)119)42-57(104)66(91-52(5)101)80(130-89)70(110)61(46-96)128-88(86(116)117)41-56(103)65(90-51(4)100)79(129-88)67(107)58(105)43-93/h20-21,36,38,53-63,65-85,93-98,102-105,107-115H,6-19,22-35,37,39-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,106)(H,116,117)(H,118,119)/b21-20-,38-36+/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68+,69+,70-,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81-,82+,83-,84+,85+,88-,89+/m1/s1",VLWYFBXOEROLMC,HCYRUDHHSA,N,Ganglioside GD1b (d18:1/22:1(13Z)),VLWYFBXOEROLMC-HCYRUDHHSA-N
HMDB11831,1906.055072361,C90H159N3O39,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C90H159N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-65(107)93-55(56(103)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)50-121-84-75(115)73(113)78(63(48-98)124-84)127-86-76(116)82(79(64(49-99)125-86)128-83-54(41-51(3)100)77(70(110)61(46-96)122-83)126-85-74(114)72(112)69(109)60(45-95)123-85)132-90(88(119)120)43-58(105)67(92-53(5)102)81(131-90)71(111)62(47-97)129-89(87(117)118)42-57(104)66(91-52(4)101)80(130-89)68(108)59(106)44-94/h37,39,54-64,66-86,94-99,103-106,108-116H,6-36,38,40-50H2,1-5H3,(H,91,101)(H,92,102)(H,93,107)(H,117,118)(H,119,120)/b39-37+/t54-,55+,56-,57+,58+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69+,70+,71-,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82-,83+,84-,85+,86+,89-,90+/m1/s1",RESBXTKIRCMLMO,LAKDMKEDSA,N,Ganglioside GD1b (d18:1/23:0),RESBXTKIRCMLMO-LAKDMKEDSA-N
HMDB11832,1920.070722425,C91H161N3O39,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C91H161N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66(108)94-56(57(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)51-122-85-76(116)74(114)79(64(49-99)125-85)128-87-77(117)83(80(65(50-100)126-87)129-84-55(42-52(3)101)78(71(111)62(47-97)123-84)127-86-75(115)73(113)70(110)61(46-96)124-86)133-91(89(120)121)44-59(106)68(93-54(5)103)82(132-91)72(112)63(48-98)130-90(88(118)119)43-58(105)67(92-53(4)102)81(131-90)69(109)60(107)45-95/h38,40,55-65,67-87,95-100,104-107,109-117H,6-37,39,41-51H2,1-5H3,(H,92,102)(H,93,103)(H,94,108)(H,118,119)(H,120,121)/b40-38+/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70+,71+,72-,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83-,84+,85-,86+,87+,90-,91+/m1/s1",HWIGKNFOWOATAM,NLRALXJMSA,N,Ganglioside GD1b (d18:1/24:0),HWIGKNFOWOATAM-NLRALXJMSA-N
HMDB11833,1918.055072361,C91H159N3O39,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C91H159N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66(108)94-56(57(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)51-122-85-76(116)74(114)79(64(49-99)125-85)128-87-77(117)83(80(65(50-100)126-87)129-84-55(42-52(3)101)78(71(111)62(47-97)123-84)127-86-75(115)73(113)70(110)61(46-96)124-86)133-91(89(120)121)44-59(106)68(93-54(5)103)82(132-91)72(112)63(48-98)130-90(88(118)119)43-58(105)67(92-53(4)102)81(131-90)69(109)60(107)45-95/h20-21,38,40,55-65,67-87,95-100,104-107,109-117H,6-19,22-37,39,41-51H2,1-5H3,(H,92,102)(H,93,103)(H,94,108)(H,118,119)(H,120,121)/b21-20-,40-38+/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70+,71+,72-,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83-,84+,85-,86+,87+,90-,91+/m1/s1",CHTHKZZTIZPTKZ,DLFUAFOZSA,N,Ganglioside GD1b (d18:1/24:1(15Z)),CHTHKZZTIZPTKZ-DLFUAFOZSA-N
HMDB11834,1934.086372489,C92H163N3O39,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C92H163N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-67(109)95-57(58(105)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)52-123-86-77(117)75(115)80(65(50-100)126-86)129-88-78(118)84(81(66(51-101)127-88)130-85-56(43-53(3)102)79(72(112)63(48-98)124-85)128-87-76(116)74(114)71(111)62(47-97)125-87)134-92(90(121)122)45-60(107)69(94-55(5)104)83(133-92)73(113)64(49-99)131-91(89(119)120)44-59(106)68(93-54(4)103)82(132-91)70(110)61(108)46-96/h39,41,56-66,68-88,96-101,105-108,110-118H,6-38,40,42-52H2,1-5H3,(H,93,103)(H,94,104)(H,95,109)(H,119,120)(H,121,122)/b41-39+/t56-,57+,58-,59+,60+,61-,62-,63-,64-,65-,66-,68-,69-,70-,71+,72+,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84-,85+,86-,87+,88+,91-,92+/m1/s1",PZSYSMHXFWKBCW,RGCSIOLHSA,N,Ganglioside GD1b (d18:1/25:0),PZSYSMHXFWKBCW-RGCSIOLHSA-N
HMDB11835,1948.102022553,C93H165N3O39,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C93H165N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(110)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-78(118)76(116)81(66(51-101)127-87)130-89-79(119)85(82(67(52-102)128-89)131-86-57(44-54(3)103)80(73(113)64(49-99)125-86)129-88-77(117)75(115)72(112)63(48-98)126-88)135-93(91(122)123)46-61(108)70(95-56(5)105)84(134-93)74(114)65(50-100)132-92(90(120)121)45-60(107)69(94-55(4)104)83(133-92)71(111)62(109)47-97/h40,42,57-67,69-89,97-102,106-109,111-119H,6-39,41,43-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,110)(H,120,121)(H,122,123)/b42-40+/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72+,73+,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85-,86+,87-,88+,89+,92-,93+/m1/s1",TVWSWGWMCGEDPH,BDFULNGHSA,N,Ganglioside GD1b (d18:1/26:0),TVWSWGWMCGEDPH-BDFULNGHSA-N
HMDB11836,1946.086372489,C93H163N3O39,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C93H163N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(110)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-78(118)76(116)81(66(51-101)127-87)130-89-79(119)85(82(67(52-102)128-89)131-86-57(44-54(3)103)80(73(113)64(49-99)125-86)129-88-77(117)75(115)72(112)63(48-98)126-88)135-93(91(122)123)46-61(108)70(95-56(5)105)84(134-93)74(114)65(50-100)132-92(90(120)121)45-60(107)69(94-55(4)104)83(133-92)71(111)62(109)47-97/h20-21,40,42,57-67,69-89,97-102,106-109,111-119H,6-19,22-39,41,43-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,110)(H,120,121)(H,122,123)/b21-20-,42-40+/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72+,73+,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85-,86+,87-,88+,89+,92-,93+/m1/s1",WVCRPCDGSVVCSC,KCPOUSNCSA,N,Ganglioside GD1b (d18:1/26:1(17Z)),WVCRPCDGSVVCSC-KCPOUSNCSA-N
HMDB11837,1591.845748291,C73H129N3O34,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C73H129N3O34/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-44(85)43(76-52(89)29-27-25-23-20-15-13-11-9-7-2)38-101-68-60(95)59(94)62(50(36-80)103-68)105-69-61(96)66(63(51(37-81)104-69)106-67-42(30-39(3)82)55(90)57(92)48(34-78)102-67)110-73(71(99)100)32-46(87)54(75-41(5)84)65(109-73)58(93)49(35-79)107-72(70(97)98)31-45(86)53(74-40(4)83)64(108-72)56(91)47(88)33-77/h42-51,53-69,77-81,85-88,90-96H,6-38H2,1-5H3,(H,74,83)(H,75,84)(H,76,89)(H,97,98)(H,99,100)/t42-,43+,44-,45+,46+,47-,48-,49-,50-,51-,53-,54-,55-,56-,57+,58-,59-,60-,61-,62-,63+,64?,65?,66-,67+,68-,69+,72-,73+/m1/s1",YNPLOSSKCHAKSS,MCGZHNOCSA,N,Ganglioside GD2 (d18:0/12:0),YNPLOSSKCHAKSS-MCGZHNOCSA-N
HMDB11838,1619.877048419,C75H133N3O34,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C75H133N3O34/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-46(87)45(78-54(91)31-29-27-25-23-20-17-15-13-11-9-7-2)40-103-70-62(97)61(96)64(52(38-82)105-70)107-71-63(98)68(65(53(39-83)106-71)108-69-44(32-41(3)84)57(92)59(94)50(36-80)104-69)112-75(73(101)102)34-48(89)56(77-43(5)86)67(111-75)60(95)51(37-81)109-74(72(99)100)33-47(88)55(76-42(4)85)66(110-74)58(93)49(90)35-79/h44-53,55-71,79-83,87-90,92-98H,6-40H2,1-5H3,(H,76,85)(H,77,86)(H,78,91)(H,99,100)(H,101,102)/t44-,45+,46-,47+,48+,49-,50-,51-,52-,53-,55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65+,66?,67?,68-,69+,70-,71+,74-,75+/m1/s1",IFPJXMWRAFYACI,JKTSABFLSA,N,Ganglioside GD2 (d18:0/14:0),IFPJXMWRAFYACI-JKTSABFLSA-N
HMDB11839,1647.908348547,C77H137N3O34,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H137N3O34/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-48(89)47(80-56(93)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-105-72-64(99)63(98)66(54(40-84)107-72)109-73-65(100)70(67(55(41-85)108-73)110-71-46(34-43(3)86)59(94)61(96)52(38-82)106-71)114-77(75(103)104)36-50(91)58(79-45(5)88)69(113-77)62(97)53(39-83)111-76(74(101)102)35-49(90)57(78-44(4)87)68(112-76)60(95)51(92)37-81/h46-55,57-73,81-85,89-92,94-100H,6-42H2,1-5H3,(H,78,87)(H,79,88)(H,80,93)(H,101,102)(H,103,104)/t46-,47+,48-,49+,50+,51-,52-,53-,54-,55-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67+,68?,69?,70-,71+,72-,73+,76-,77+/m1/s1",QDJQSTKZDSYFJU,XJEJUHBWSA,N,Ganglioside GD2 (d18:0/16:0),QDJQSTKZDSYFJU-XJEJUHBWSA-N
HMDB11840,1675.939648675,C79H141N3O34,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C79H141N3O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(95)82-49(50(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-107-74-66(101)65(100)68(56(42-86)109-74)111-75-67(102)72(69(57(43-87)110-75)112-73-48(36-45(3)88)61(96)63(98)54(40-84)108-73)116-79(77(105)106)38-52(93)60(81-47(5)90)71(115-79)64(99)55(41-85)113-78(76(103)104)37-51(92)59(80-46(4)89)70(114-78)62(97)53(94)39-83/h48-57,59-75,83-87,91-94,96-102H,6-44H2,1-5H3,(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/t48-,49+,50-,51+,52+,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69+,70?,71?,72-,73+,74-,75+,78-,79+/m1/s1",CYANFPFNQFQCDV,XEVAWAFOSA,N,Ganglioside GD2 (d18:0/18:0),CYANFPFNQFQCDV-XEVAWAFOSA-N
HMDB11841,1673.923998611,C79H139N3O34,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C79H139N3O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(95)82-49(50(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-107-74-66(101)65(100)68(56(42-86)109-74)111-75-67(102)72(69(57(43-87)110-75)112-73-48(36-45(3)88)61(96)63(98)54(40-84)108-73)116-79(77(105)106)38-52(93)60(81-47(5)90)71(115-79)64(99)55(41-85)113-78(76(103)104)37-51(92)59(80-46(4)89)70(114-78)62(97)53(94)39-83/h16,18,48-57,59-75,83-87,91-94,96-102H,6-15,17,19-44H2,1-5H3,(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b18-16-/t48-,49+,50-,51+,52+,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69+,70?,71?,72-,73+,74-,75+,78-,79+/m1/s1",VBTPKXQYEBXZMD,MJMAXXFCSA,N,Ganglioside GD2 (d18:0/18:1(11Z)),VBTPKXQYEBXZMD-MJMAXXFCSA-N
HMDB11842,1673.923998611,C79H139N3O34,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C79H139N3O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(95)82-49(50(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-107-74-66(101)65(100)68(56(42-86)109-74)111-75-67(102)72(69(57(43-87)110-75)112-73-48(36-45(3)88)61(96)63(98)54(40-84)108-73)116-79(77(105)106)38-52(93)60(81-47(5)90)71(115-79)64(99)55(41-85)113-78(76(103)104)37-51(92)59(80-46(4)89)70(114-78)62(97)53(94)39-83/h20-21,48-57,59-75,83-87,91-94,96-102H,6-19,22-44H2,1-5H3,(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b21-20-/t48-,49+,50-,51+,52+,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69+,70?,71?,72-,73+,74-,75+,78-,79+/m1/s1",KNIOCQLMLRIYJR,VKWFITFMSA,N,Ganglioside GD2 (d18:0/18:1(9Z)),KNIOCQLMLRIYJR-VKWFITFMSA-N
HMDB11843,1703.970948803,C81H145N3O34,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C81H145N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(97)84-51(52(93)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-109-76-68(103)67(102)70(58(44-88)111-76)113-77-69(104)74(71(59(45-89)112-77)114-75-50(38-47(3)90)63(98)65(100)56(42-86)110-75)118-81(79(107)108)40-54(95)62(83-49(5)92)73(117-81)66(101)57(43-87)115-80(78(105)106)39-53(94)61(82-48(4)91)72(116-80)64(99)55(96)41-85/h50-59,61-77,85-89,93-96,98-104H,6-46H2,1-5H3,(H,82,91)(H,83,92)(H,84,97)(H,105,106)(H,107,108)/t50-,51+,52-,53+,54+,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71+,72?,73?,74-,75+,76-,77+,80-,81+/m1/s1",QIQWEXHGZGTMKA,TZGOIINRSA,N,Ganglioside GD2 (d18:0/20:0),QIQWEXHGZGTMKA-TZGOIINRSA-N
HMDB11844,1732.002248931,C83H149N3O34,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C83H149N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(99)86-53(54(95)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-111-78-70(105)69(104)72(60(46-90)113-78)115-79-71(106)76(73(61(47-91)114-79)116-77-52(40-49(3)92)65(100)67(102)58(44-88)112-77)120-83(81(109)110)42-56(97)64(85-51(5)94)75(119-83)68(103)59(45-89)117-82(80(107)108)41-55(96)63(84-50(4)93)74(118-82)66(101)57(98)43-87/h52-61,63-79,87-91,95-98,100-106H,6-48H2,1-5H3,(H,84,93)(H,85,94)(H,86,99)(H,107,108)(H,109,110)/t52-,53+,54-,55+,56+,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73+,74?,75?,76-,77+,78-,79+,82-,83+/m1/s1",VSJYTQQHASEDGJ,KRTQJTBRSA,N,Ganglioside GD2 (d18:0/22:0),VSJYTQQHASEDGJ-KRTQJTBRSA-N
HMDB11845,1729.986598867,C83H147N3O34,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H147N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(99)86-53(54(95)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-111-78-70(105)69(104)72(60(46-90)113-78)115-79-71(106)76(73(61(47-91)114-79)116-77-52(40-49(3)92)65(100)67(102)58(44-88)112-77)120-83(81(109)110)42-56(97)64(85-51(5)94)75(119-83)68(103)59(45-89)117-82(80(107)108)41-55(96)63(84-50(4)93)74(118-82)66(101)57(98)43-87/h20-21,52-61,63-79,87-91,95-98,100-106H,6-19,22-48H2,1-5H3,(H,84,93)(H,85,94)(H,86,99)(H,107,108)(H,109,110)/b21-20-/t52-,53+,54-,55+,56+,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73+,74?,75?,76-,77+,78-,79+,82-,83+/m1/s1",DXZHLPKVCKQYCW,OROLEFOESA,N,Ganglioside GD2 (d18:0/22:1(13Z)),DXZHLPKVCKQYCW-OROLEFOESA-N
HMDB11846,1746.017898995,C84H151N3O34,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C84H151N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(100)87-54(55(96)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)49-112-79-71(106)70(105)73(61(47-91)114-79)116-80-72(107)77(74(62(48-92)115-80)117-78-53(41-50(3)93)66(101)68(103)59(45-89)113-78)121-84(82(110)111)43-57(98)65(86-52(5)95)76(120-84)69(104)60(46-90)118-83(81(108)109)42-56(97)64(85-51(4)94)75(119-83)67(102)58(99)44-88/h53-62,64-80,88-92,96-99,101-107H,6-49H2,1-5H3,(H,85,94)(H,86,95)(H,87,100)(H,108,109)(H,110,111)/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,83-,84+/m1/s1",KMLLVIAMZIRWBE,NYOUZISTSA,N,Ganglioside GD2 (d18:0/23:0),KMLLVIAMZIRWBE-NYOUZISTSA-N
HMDB11847,1760.033549059,C85H153N3O34,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C85H153N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(101)88-55(56(97)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-113-80-72(107)71(106)74(62(48-92)115-80)117-81-73(108)78(75(63(49-93)116-81)118-79-54(42-51(3)94)67(102)69(104)60(46-90)114-79)122-85(83(111)112)44-58(99)66(87-53(5)96)77(121-85)70(105)61(47-91)119-84(82(109)110)43-57(98)65(86-52(4)95)76(120-84)68(103)59(100)45-89/h54-63,65-81,89-93,97-100,102-108H,6-50H2,1-5H3,(H,86,95)(H,87,96)(H,88,101)(H,109,110)(H,111,112)/t54-,55+,56-,57+,58+,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75+,76?,77?,78-,79+,80-,81+,84-,85+/m1/s1",AVYYSFSZKOCTSZ,XFWPPVQYSA,N,Ganglioside GD2 (d18:0/24:0),AVYYSFSZKOCTSZ-XFWPPVQYSA-N
HMDB11848,1758.017898995,C85H151N3O34,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H151N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(101)88-55(56(97)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-113-80-72(107)71(106)74(62(48-92)115-80)117-81-73(108)78(75(63(49-93)116-81)118-79-54(42-51(3)94)67(102)69(104)60(46-90)114-79)122-85(83(111)112)44-58(99)66(87-53(5)96)77(121-85)70(105)61(47-91)119-84(82(109)110)43-57(98)65(86-52(4)95)76(120-84)68(103)59(100)45-89/h20-21,54-63,65-81,89-93,97-100,102-108H,6-19,22-50H2,1-5H3,(H,86,95)(H,87,96)(H,88,101)(H,109,110)(H,111,112)/b21-20-/t54-,55+,56-,57+,58+,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75+,76?,77?,78-,79+,80-,81+,84-,85+/m1/s1",YCKYIUDJSFKNEO,NTYXHHHQSA,N,Ganglioside GD2 (d18:0/24:1(15Z)),YCKYIUDJSFKNEO-NTYXHHHQSA-N
HMDB11849,1774.049199123,C86H155N3O34,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C86H155N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-65(102)89-56(57(98)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)51-114-81-73(108)72(107)75(63(49-93)116-81)118-82-74(109)79(76(64(50-94)117-82)119-80-55(43-52(3)95)68(103)70(105)61(47-91)115-80)123-86(84(112)113)45-59(100)67(88-54(5)97)78(122-86)71(106)62(48-92)120-85(83(110)111)44-58(99)66(87-53(4)96)77(121-85)69(104)60(101)46-90/h55-64,66-82,90-94,98-101,103-109H,6-51H2,1-5H3,(H,87,96)(H,88,97)(H,89,102)(H,110,111)(H,112,113)/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76+,77?,78?,79-,80+,81-,82+,85-,86+/m1/s1",XSNJTXYQINIZPW,FPCXVZBRSA,N,Ganglioside GD2 (d18:0/25:0),XSNJTXYQINIZPW-FPCXVZBRSA-N
HMDB11850,1788.064849187,C87H157N3O34,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C87H157N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(103)90-57(58(99)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-115-82-74(109)73(108)76(64(50-94)117-82)119-83-75(110)80(77(65(51-95)118-83)120-81-56(44-53(3)96)69(104)71(106)62(48-92)116-81)124-87(85(113)114)46-60(101)68(89-55(5)98)79(123-87)72(107)63(49-93)121-86(84(111)112)45-59(100)67(88-54(4)97)78(122-86)70(105)61(102)47-91/h56-65,67-83,91-95,99-102,104-110H,6-52H2,1-5H3,(H,88,97)(H,89,98)(H,90,103)(H,111,112)(H,113,114)/t56-,57+,58-,59+,60+,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72-,73-,74-,75-,76-,77+,78?,79?,80-,81+,82-,83+,86-,87+/m1/s1",KQSXEBVKLJNYAJ,BNLXEGNASA,N,Ganglioside GD2 (d18:0/26:0),KQSXEBVKLJNYAJ-BNLXEGNASA-N
HMDB11851,1786.049199123,C87H155N3O34,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C87H155N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(103)90-57(58(99)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-115-82-74(109)73(108)76(64(50-94)117-82)119-83-75(110)80(77(65(51-95)118-83)120-81-56(44-53(3)96)69(104)71(106)62(48-92)116-81)124-87(85(113)114)46-60(101)68(89-55(5)98)79(123-87)72(107)63(49-93)121-86(84(111)112)45-59(100)67(88-54(4)97)78(122-86)70(105)61(102)47-91/h20-21,56-65,67-83,91-95,99-102,104-110H,6-19,22-52H2,1-5H3,(H,88,97)(H,89,98)(H,90,103)(H,111,112)(H,113,114)/b21-20-/t56-,57+,58-,59+,60+,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72-,73-,74-,75-,76-,77+,78?,79?,80-,81+,82-,83+,86-,87+/m1/s1",YQCJWRDPPLCZOT,GSHRSLOHSA,N,Ganglioside GD2 (d18:0/26:1(17Z)),YQCJWRDPPLCZOT-GSHRSLOHSA-N
HMDB11852,1617.861398355,C75H131N3O34,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C75H131N3O34/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-46(87)45(78-54(91)31-29-27-25-23-20-17-15-13-11-9-7-2)40-103-70-62(97)61(96)64(52(38-82)105-70)107-71-63(98)68(65(53(39-83)106-71)108-69-44(32-41(3)84)57(92)59(94)50(36-80)104-69)112-75(73(101)102)34-48(89)56(77-43(5)86)67(111-75)60(95)51(37-81)109-74(72(99)100)33-47(88)55(76-42(4)85)66(110-74)58(93)49(90)35-79/h28,30,44-53,55-71,79-83,87-90,92-98H,6-27,29,31-40H2,1-5H3,(H,76,85)(H,77,86)(H,78,91)(H,99,100)(H,101,102)/b30-28+/t44-,45+,46-,47+,48+,49-,50-,51-,52-,53-,55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65+,66?,67?,68-,69+,70-,71+,74-,75+/m1/s1",IJBAVPGSRQVGSP,IEZCQMNWSA,N,Ganglioside GD2 (d18:1/14:0),IJBAVPGSRQVGSP-IEZCQMNWSA-N
HMDB11853,1671.908348547,C79H137N3O34,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C79H137N3O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(95)82-49(50(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-107-74-66(101)65(100)68(56(42-86)109-74)111-75-67(102)72(69(57(43-87)110-75)112-73-48(36-45(3)88)61(96)63(98)54(40-84)108-73)116-79(77(105)106)38-52(93)60(81-47(5)90)71(115-79)64(99)55(41-85)113-78(76(103)104)37-51(92)59(80-46(4)89)70(114-78)62(97)53(94)39-83/h16,18,32,34,48-57,59-75,83-87,91-94,96-102H,6-15,17,19-31,33,35-44H2,1-5H3,(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b18-16-,34-32+/t48-,49+,50-,51+,52+,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69+,70?,71?,72-,73+,74-,75+,78-,79+/m1/s1",RGJYAXNXZYDRCC,BKCQNFCASA,N,Ganglioside GD2 (d18:1/18:1(11Z)),RGJYAXNXZYDRCC-BKCQNFCASA-N
HMDB11854,1727.970948803,C83H145N3O34,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H145N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(99)86-53(54(95)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-111-78-70(105)69(104)72(60(46-90)113-78)115-79-71(106)76(73(61(47-91)114-79)116-77-52(40-49(3)92)65(100)67(102)58(44-88)112-77)120-83(81(109)110)42-56(97)64(85-51(5)94)75(119-83)68(103)59(45-89)117-82(80(107)108)41-55(96)63(84-50(4)93)74(118-82)66(101)57(98)43-87/h20-21,36,38,52-61,63-79,87-91,95-98,100-106H,6-19,22-35,37,39-48H2,1-5H3,(H,84,93)(H,85,94)(H,86,99)(H,107,108)(H,109,110)/b21-20-,38-36+/t52-,53+,54-,55+,56+,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73+,74?,75?,76-,77+,78-,79+,82-,83+/m1/s1",YRIKHHLTFIRSIW,CSSIKJGCSA,N,Ganglioside GD2 (d18:1/22:1(13Z)),YRIKHHLTFIRSIW-CSSIKJGCSA-N
HMDB11855,1744.002248931,C84H149N3O34,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C84H149N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(100)87-54(55(96)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)49-112-79-71(106)70(105)73(61(47-91)114-79)116-80-72(107)77(74(62(48-92)115-80)117-78-53(41-50(3)93)66(101)68(103)59(45-89)113-78)121-84(82(110)111)43-57(98)65(86-52(5)95)76(120-84)69(104)60(46-90)118-83(81(108)109)42-56(97)64(85-51(4)94)75(119-83)67(102)58(99)44-88/h37,39,53-62,64-80,88-92,96-99,101-107H,6-36,38,40-49H2,1-5H3,(H,85,94)(H,86,95)(H,87,100)(H,108,109)(H,110,111)/b39-37+/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,83-,84+/m1/s1",CLSVXYLYKHQPND,XZMOGMNZSA,N,Ganglioside GD2 (d18:1/23:0),CLSVXYLYKHQPND-XZMOGMNZSA-N
HMDB11856,1389.761624733,C64H115N3O29,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C64H115N3O29/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-39(74)38(67-46(78)28-26-24-22-19-14-12-10-8-6-2)35-89-59-53(83)52(82)55(45(34-71)91-59)92-60-54(84)58(50(80)43(32-69)90-60)96-64(62(87)88)30-41(76)48(66-37(4)73)57(95-64)51(81)44(33-70)93-63(61(85)86)29-40(75)47(65-36(3)72)56(94-63)49(79)42(77)31-68/h38-45,47-60,68-71,74-77,79-84H,5-35H2,1-4H3,(H,65,72)(H,66,73)(H,67,78)(H,85,86)(H,87,88)/t38-,39+,40-,41-,42+,43+,44+,45+,47+,48+,49+,50-,51+,52+,53+,54+,55+,56?,57?,58-,59+,60-,63+,64-/m0/s1",LFCAAHPWGWUACU,SGGMCQCESA,N,Ganglioside GD3 (d18:0/12:0),LFCAAHPWGWUACU-SGGMCQCESA-N
HMDB11857,1417.792924861,C66H119N3O29,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C66H119N3O29/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-41(76)40(69-48(80)30-28-26-24-22-19-16-14-12-10-8-6-2)37-91-61-55(85)54(84)57(47(36-73)93-61)94-62-56(86)60(52(82)45(34-71)92-62)98-66(64(89)90)32-43(78)50(68-39(4)75)59(97-66)53(83)46(35-72)95-65(63(87)88)31-42(77)49(67-38(3)74)58(96-65)51(81)44(79)33-70/h40-47,49-62,70-73,76-79,81-86H,5-37H2,1-4H3,(H,67,74)(H,68,75)(H,69,80)(H,87,88)(H,89,90)/t40-,41+,42-,43-,44+,45+,46+,47+,49+,50+,51+,52-,53+,54+,55+,56+,57+,58?,59?,60-,61+,62-,65+,66-/m0/s1",SDYNZSKYFKAXNJ,OPVWHVIRSA,N,Ganglioside GD3 (d18:0/14:0),SDYNZSKYFKAXNJ-OPVWHVIRSA-N
HMDB11858,1445.824224989,C68H123N3O29,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C68H123N3O29/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(78)42(71-50(82)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-93-63-57(87)56(86)59(49(38-75)95-63)96-64-58(88)62(54(84)47(36-73)94-64)100-68(66(91)92)34-45(80)52(70-41(4)77)61(99-68)55(85)48(37-74)97-67(65(89)90)33-44(79)51(69-40(3)76)60(98-67)53(83)46(81)35-72/h42-49,51-64,72-75,78-81,83-88H,5-39H2,1-4H3,(H,69,76)(H,70,77)(H,71,82)(H,89,90)(H,91,92)/t42-,43+,44-,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60?,61?,62-,63+,64-,67+,68-/m0/s1",NCVFCBJVZVKMER,NMYWPWINSA,N,Ganglioside GD3 (d18:0/16:0),NCVFCBJVZVKMER-NMYWPWINSA-N
HMDB11859,1473.855525117,C70H127N3O29,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C70H127N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h44-51,53-66,74-77,80-83,85-90H,5-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1",FJMABRAWCVMJNO,DJBDXNLDSA,N,Ganglioside GD3 (d18:0/18:0),FJMABRAWCVMJNO-DJBDXNLDSA-N
HMDB11860,1471.839875053,C70H125N3O29,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C70H125N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h15,17,44-51,53-66,74-77,80-83,85-90H,5-14,16,18-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/b17-15-/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1",ONIRRRFTPWTIDH,TUWAOKQNSA,N,Ganglioside GD3 (d18:0/18:1(11Z)),ONIRRRFTPWTIDH-TUWAOKQNSA-N
HMDB11861,1471.839875053,C70H125N3O29,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C70H125N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h19-20,44-51,53-66,74-77,80-83,85-90H,5-18,21-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/b20-19-/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1",SCSVLEOVKQHWIE,LVJFQCKNSA,N,Ganglioside GD3 (d18:0/18:1(9Z)),SCSVLEOVKQHWIE-LVJFQCKNSA-N
HMDB11862,1501.886825245,C72H131N3O29,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C72H131N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(86)75-46(47(82)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-97-67-61(91)60(90)63(53(42-79)99-67)100-68-62(92)66(58(88)51(40-77)98-68)104-72(70(95)96)38-49(84)56(74-45(4)81)65(103-72)59(89)52(41-78)101-71(69(93)94)37-48(83)55(73-44(3)80)64(102-71)57(87)50(85)39-76/h46-53,55-68,76-79,82-85,87-92H,5-43H2,1-4H3,(H,73,80)(H,74,81)(H,75,86)(H,93,94)(H,95,96)/t46-,47+,48-,49-,50+,51+,52+,53+,55+,56+,57+,58-,59+,60+,61+,62+,63+,64?,65?,66-,67+,68-,71+,72-/m0/s1",CXQNLZMTNBHHQL,PXJIOSGWSA,N,Ganglioside GD3 (d18:0/20:0),CXQNLZMTNBHHQL-PXJIOSGWSA-N
HMDB11863,1529.918125373,C74H135N3O29,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C74H135N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(88)77-48(49(84)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-99-69-63(93)62(92)65(55(44-81)101-69)102-70-64(94)68(60(90)53(42-79)100-70)106-74(72(97)98)40-51(86)58(76-47(4)83)67(105-74)61(91)54(43-80)103-73(71(95)96)39-50(85)57(75-46(3)82)66(104-73)59(89)52(87)41-78/h48-55,57-70,78-81,84-87,89-94H,5-45H2,1-4H3,(H,75,82)(H,76,83)(H,77,88)(H,95,96)(H,97,98)/t48-,49+,50-,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66?,67?,68-,69+,70-,73+,74-/m0/s1",RBGHSEPWFCKRML,WJTIAGGISA,N,Ganglioside GD3 (d18:0/22:0),RBGHSEPWFCKRML-WJTIAGGISA-N
HMDB11864,1527.902475309,C74H133N3O29,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C74H133N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(88)77-48(49(84)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-99-69-63(93)62(92)65(55(44-81)101-69)102-70-64(94)68(60(90)53(42-79)100-70)106-74(72(97)98)40-51(86)58(76-47(4)83)67(105-74)61(91)54(43-80)103-73(71(95)96)39-50(85)57(75-46(3)82)66(104-73)59(89)52(87)41-78/h19-20,48-55,57-70,78-81,84-87,89-94H,5-18,21-45H2,1-4H3,(H,75,82)(H,76,83)(H,77,88)(H,95,96)(H,97,98)/b20-19-/t48-,49+,50-,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66?,67?,68-,69+,70-,73+,74-/m0/s1",VYCIXQWAQVMVFD,CLEAUHBHSA,N,Ganglioside GD3 (d18:0/22:1(13Z)),VYCIXQWAQVMVFD-CLEAUHBHSA-N
HMDB11865,1543.933775437,C75H137N3O29,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C75H137N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-57(89)78-49(50(85)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)46-100-70-64(94)63(93)66(56(45-82)102-70)103-71-65(95)69(61(91)54(43-80)101-71)107-75(73(98)99)41-52(87)59(77-48(4)84)68(106-75)62(92)55(44-81)104-74(72(96)97)40-51(86)58(76-47(3)83)67(105-74)60(90)53(88)42-79/h49-56,58-71,79-82,85-88,90-95H,5-46H2,1-4H3,(H,76,83)(H,77,84)(H,78,89)(H,96,97)(H,98,99)/t49-,50+,51-,52-,53+,54+,55+,56+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67?,68?,69-,70+,71-,74+,75-/m0/s1",KWLWYAAEODHDNR,MBUIKIGFSA,N,Ganglioside GD3 (d18:0/23:0),KWLWYAAEODHDNR-MBUIKIGFSA-N
HMDB11866,1557.949425501,C76H139N3O29,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C76H139N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(90)79-50(51(86)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-101-71-65(95)64(94)67(57(46-83)103-71)104-72-66(96)70(62(92)55(44-81)102-72)108-76(74(99)100)42-53(88)60(78-49(4)85)69(107-76)63(93)56(45-82)105-75(73(97)98)41-52(87)59(77-48(3)84)68(106-75)61(91)54(89)43-80/h50-57,59-72,80-83,86-89,91-96H,5-47H2,1-4H3,(H,77,84)(H,78,85)(H,79,90)(H,97,98)(H,99,100)/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65+,66+,67+,68?,69?,70-,71+,72-,75+,76-/m0/s1",QXBYEMDRSHMHKK,SDIBTWRZSA,N,Ganglioside GD3 (d18:0/24:0),QXBYEMDRSHMHKK-SDIBTWRZSA-N
HMDB11867,1553.918125373,C76H135N3O29,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C76H135N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(90)79-50(51(86)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-101-71-65(95)64(94)67(57(46-83)103-71)104-72-66(96)70(62(92)55(44-81)102-72)108-76(74(99)100)42-53(88)60(78-49(4)85)69(107-76)63(93)56(45-82)105-75(73(97)98)41-52(87)59(77-48(3)84)68(106-75)61(91)54(89)43-80/h19-20,37,39,50-57,59-72,80-83,86-89,91-96H,5-18,21-36,38,40-47H2,1-4H3,(H,77,84)(H,78,85)(H,79,90)(H,97,98)(H,99,100)/b20-19-,39-37+/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65+,66+,67+,68?,69?,70-,71+,72-,75+,76-/m0/s1",KTMUAIZWYIXNJC,YOHNYBRDSA,N,Ganglioside GD3 (d18:0/24:1(15Z)),KTMUAIZWYIXNJC-YOHNYBRDSA-N
HMDB11868,1571.965075565,C77H141N3O29,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C77H141N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-59(91)80-51(52(87)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)48-102-72-66(96)65(95)68(58(47-84)104-72)105-73-67(97)71(63(93)56(45-82)103-73)109-77(75(100)101)43-54(89)61(79-50(4)86)70(108-77)64(94)57(46-83)106-76(74(98)99)42-53(88)60(78-49(3)85)69(107-76)62(92)55(90)44-81/h51-58,60-73,81-84,87-90,92-97H,5-48H2,1-4H3,(H,78,85)(H,79,86)(H,80,91)(H,98,99)(H,100,101)/t51-,52+,53-,54-,55+,56+,57+,58+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69?,70?,71-,72+,73-,76+,77-/m0/s1",GFTUPVKKWGGVQG,IEFFFGRCSA,N,Ganglioside GD3 (d18:0/25:0),GFTUPVKKWGGVQG-IEFFFGRCSA-N
HMDB11869,1585.980725629,C78H143N3O29,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C78H143N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(92)81-52(53(88)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-103-73-67(97)66(96)69(59(48-85)105-73)106-74-68(98)72(64(94)57(46-83)104-74)110-78(76(101)102)44-55(90)62(80-51(4)87)71(109-78)65(95)58(47-84)107-77(75(99)100)43-54(89)61(79-50(3)86)70(108-77)63(93)56(91)45-82/h52-59,61-74,82-85,88-91,93-98H,5-49H2,1-4H3,(H,79,86)(H,80,87)(H,81,92)(H,99,100)(H,101,102)/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67+,68+,69+,70?,71?,72-,73+,74-,77+,78-/m0/s1",MKMIFQBALFONLU,QGFHEIRUSA,N,Ganglioside GD3 (d18:0/26:0),MKMIFQBALFONLU-QGFHEIRUSA-N
HMDB11870,1583.965075565,C78H141N3O29,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C78H141N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(92)81-52(53(88)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-103-73-67(97)66(96)69(59(48-85)105-73)106-74-68(98)72(64(94)57(46-83)104-74)110-78(76(101)102)44-55(90)62(80-51(4)87)71(109-78)65(95)58(47-84)107-77(75(99)100)43-54(89)61(79-50(3)86)70(108-77)63(93)56(91)45-82/h19-20,52-59,61-74,82-85,88-91,93-98H,5-18,21-49H2,1-4H3,(H,79,86)(H,80,87)(H,81,92)(H,99,100)(H,101,102)/b20-19-/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67+,68+,69+,70?,71?,72-,73+,74-,77+,78-/m0/s1",RLGJVAZDMCWWFW,ITAFKYJKSA,N,Ganglioside GD3 (d18:0/26:1(17Z)),RLGJVAZDMCWWFW-ITAFKYJKSA-N
HMDB11871,1415.777274797,C66H117N3O29,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C66H117N3O29/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-41(76)40(69-48(80)30-28-26-24-22-19-16-14-12-10-8-6-2)37-91-61-55(85)54(84)57(47(36-73)93-61)94-62-56(86)60(52(82)45(34-71)92-62)98-66(64(89)90)32-43(78)50(68-39(4)75)59(97-66)53(83)46(35-72)95-65(63(87)88)31-42(77)49(67-38(3)74)58(96-65)51(81)44(79)33-70/h27,29,40-47,49-62,70-73,76-79,81-86H,5-26,28,30-37H2,1-4H3,(H,67,74)(H,68,75)(H,69,80)(H,87,88)(H,89,90)/b29-27+/t40-,41+,42-,43-,44+,45+,46+,47+,49+,50+,51+,52-,53+,54+,55+,56+,57+,58?,59?,60-,61+,62-,65+,66-/m0/s1",FAYSGGPXSQJANP,IGEPHIKYSA,N,Ganglioside GD3 (d18:1/14:0),FAYSGGPXSQJANP-IGEPHIKYSA-N
HMDB11872,1469.824224989,C70H123N3O29,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C70H123N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h15,17,31,33,44-51,53-66,74-77,80-83,85-90H,5-14,16,18-30,32,34-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/b17-15-,33-31+/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1",YTRCMAZBKACTOX,OEZVKBNKSA,N,Ganglioside GD3 (d18:1/18:1(11Z)),YTRCMAZBKACTOX-OEZVKBNKSA-N
HMDB11873,1525.886825245,C74H131N3O29,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C74H131N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(88)77-48(49(84)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-99-69-63(93)62(92)65(55(44-81)101-69)102-70-64(94)68(60(90)53(42-79)100-70)106-74(72(97)98)40-51(86)58(76-47(4)83)67(105-74)61(91)54(43-80)103-73(71(95)96)39-50(85)57(75-46(3)82)66(104-73)59(89)52(87)41-78/h19-20,35,37,48-55,57-70,78-81,84-87,89-94H,5-18,21-34,36,38-45H2,1-4H3,(H,75,82)(H,76,83)(H,77,88)(H,95,96)(H,97,98)/b20-19-,37-35+/t48-,49+,50-,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66?,67?,68-,69+,70-,73+,74-/m0/s1",QHKHVYBGQIJZGK,RWKIXOIESA,N,Ganglioside GD3 (d18:1/22:1(13Z)),QHKHVYBGQIJZGK-RWKIXOIESA-N
HMDB11874,1541.918125373,C75H135N3O29,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C75H135N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-57(89)78-49(50(85)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)46-100-70-64(94)63(93)66(56(45-82)102-70)103-71-65(95)69(61(91)54(43-80)101-71)107-75(73(98)99)41-52(87)59(77-48(4)84)68(106-75)62(92)55(44-81)104-74(72(96)97)40-51(86)58(76-47(3)83)67(105-74)60(90)53(88)42-79/h36,38,49-56,58-71,79-82,85-88,90-95H,5-35,37,39-46H2,1-4H3,(H,76,83)(H,77,84)(H,78,89)(H,96,97)(H,98,99)/b38-36+/t49-,50+,51-,52-,53+,54+,55+,56+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67?,68?,69-,70+,71-,74+,75-/m0/s1",QUCPMLOYERROQK,CVVUKGOZSA,N,Ganglioside GD3 (d18:1/23:0),QUCPMLOYERROQK-CVVUKGOZSA-N
HMDB11875,1462.803155196,C68H122N2O31,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C68H122N2O31/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-41(78)40(70-48(81)28-26-24-22-19-14-12-10-8-6-2)36-92-64-56(88)54(86)59(46(34-74)95-64)98-66-57(89)62(101-68(67(90)91)30-42(79)49(69-38(4)77)61(100-68)50(82)43(80)31-71)60(47(35-75)96-66)99-63-39(29-37(3)76)58(52(84)45(33-73)93-63)97-65-55(87)53(85)51(83)44(32-72)94-65/h39-47,49-66,71-75,78-80,82-89H,5-36H2,1-4H3,(H,69,77)(H,70,81)(H,90,91)/t39-,40+,41-,42+,43-,44-,45-,46-,47-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,60+,61?,62-,63+,64-,65+,66+,68+/m1/s1",QENJYHSDDMJVTR,UEGOYZRMSA,N,Ganglioside GM1 (d18:0/12:0),QENJYHSDDMJVTR-UEGOYZRMSA-N
HMDB11876,1490.834455324,C70H126N2O31,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C70H126N2O31/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-43(80)42(72-50(83)30-28-26-24-22-19-16-14-12-10-8-6-2)38-94-66-58(90)56(88)61(48(36-76)97-66)100-68-59(91)64(103-70(69(92)93)32-44(81)51(71-40(4)79)63(102-70)52(84)45(82)33-73)62(49(37-77)98-68)101-65-41(31-39(3)78)60(54(86)47(35-75)95-65)99-67-57(89)55(87)53(85)46(34-74)96-67/h41-49,51-68,73-77,80-82,84-91H,5-38H2,1-4H3,(H,71,79)(H,72,83)(H,92,93)/t41-,42+,43-,44+,45-,46-,47-,48-,49-,51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,62+,63?,64-,65+,66-,67+,68+,70+/m1/s1",HQUCSMQDUJFTHU,VVTWJHPHSA,N,Ganglioside GM1 (d18:0/14:0),HQUCSMQDUJFTHU-VVTWJHPHSA-N
HMDB11877,1518.865755452,C72H130N2O31,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C72H130N2O31/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-45(82)44(74-52(85)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)40-96-68-60(92)58(90)63(50(38-78)99-68)102-70-61(93)66(105-72(71(94)95)34-46(83)53(73-42(4)81)65(104-72)54(86)47(84)35-75)64(51(39-79)100-70)103-67-43(33-41(3)80)62(56(88)49(37-77)97-67)101-69-59(91)57(89)55(87)48(36-76)98-69/h43-51,53-70,75-79,82-84,86-93H,5-40H2,1-4H3,(H,73,81)(H,74,85)(H,94,95)/t43-,44+,45-,46+,47-,48-,49-,50-,51-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,64+,65?,66-,67+,68-,69+,70+,72+/m1/s1",YUAMVJNZYQNZQH,UOMNDENGSA,N,Ganglioside GM1 (d18:0/16:0),YUAMVJNZYQNZQH-UOMNDENGSA-N
HMDB11878,1546.89705558,C74H134N2O31,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C74H134N2O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(87)76-46(47(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)42-98-70-62(94)60(92)65(52(40-80)101-70)104-72-63(95)68(107-74(73(96)97)36-48(85)55(75-44(4)83)67(106-74)56(88)49(86)37-77)66(53(41-81)102-72)105-69-45(35-43(3)82)64(58(90)51(39-79)99-69)103-71-61(93)59(91)57(89)50(38-78)100-71/h45-53,55-72,77-81,84-86,88-95H,5-42H2,1-4H3,(H,75,83)(H,76,87)(H,96,97)/t45-,46+,47-,48+,49-,50-,51-,52-,53-,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,72+,74+/m1/s1",LKWJIDDAHYFIDX,SATSCFEWSA,N,Ganglioside GM1 (d18:0/18:0),LKWJIDDAHYFIDX-SATSCFEWSA-N
HMDB11879,1544.881405516,C74H132N2O31,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C74H132N2O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(87)76-46(47(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)42-98-70-62(94)60(92)65(52(40-80)101-70)104-72-63(95)68(107-74(73(96)97)36-48(85)55(75-44(4)83)67(106-74)56(88)49(86)37-77)66(53(41-81)102-72)105-69-45(35-43(3)82)64(58(90)51(39-79)99-69)103-71-61(93)59(91)57(89)50(38-78)100-71/h15,17,45-53,55-72,77-81,84-86,88-95H,5-14,16,18-42H2,1-4H3,(H,75,83)(H,76,87)(H,96,97)/b17-15-/t45-,46+,47-,48+,49-,50-,51-,52-,53-,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,72+,74+/m1/s1",HQUWRBHYIVPMNV,RURNQKENSA,N,Ganglioside GM1 (d18:0/18:1(11Z)),HQUWRBHYIVPMNV-RURNQKENSA-N
HMDB11880,1544.881405516,C74H132N2O31,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C74H132N2O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(87)76-46(47(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)42-98-70-62(94)60(92)65(52(40-80)101-70)104-72-63(95)68(107-74(73(96)97)36-48(85)55(75-44(4)83)67(106-74)56(88)49(86)37-77)66(53(41-81)102-72)105-69-45(35-43(3)82)64(58(90)51(39-79)99-69)103-71-61(93)59(91)57(89)50(38-78)100-71/h19-20,45-53,55-72,77-81,84-86,88-95H,5-18,21-42H2,1-4H3,(H,75,83)(H,76,87)(H,96,97)/b20-19-/t45-,46+,47-,48+,49-,50-,51-,52-,53-,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,72+,74+/m1/s1",ZNPJNAAOASHFPP,PDMJNIIUSA,N,Ganglioside GM1 (d18:0/18:1(9Z)),ZNPJNAAOASHFPP-PDMJNIIUSA-N
HMDB11881,1574.928355708,C76H138N2O31,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C76H138N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-56(89)78-48(49(86)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)44-100-72-64(96)62(94)67(54(42-82)103-72)106-74-65(97)70(109-76(75(98)99)38-50(87)57(77-46(4)85)69(108-76)58(90)51(88)39-79)68(55(43-83)104-74)107-71-47(37-45(3)84)66(60(92)53(41-81)101-71)105-73-63(95)61(93)59(91)52(40-80)102-73/h47-55,57-74,79-83,86-88,90-97H,5-44H2,1-4H3,(H,77,85)(H,78,89)(H,98,99)/t47-,48+,49-,50+,51-,52-,53-,54-,55-,57-,58-,59+,60+,61+,62-,63-,64-,65-,66-,67-,68+,69?,70-,71+,72-,73+,74+,76+/m1/s1",VEJUBWNJMJQFNN,KFTCUWJOSA,N,Ganglioside GM1 (d18:0/20:0),VEJUBWNJMJQFNN-KFTCUWJOSA-N
HMDB11882,1602.959655836,C78H142N2O31,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C78H142N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-58(91)80-50(51(88)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)46-102-74-66(98)64(96)69(56(44-84)105-74)108-76-67(99)72(111-78(77(100)101)40-52(89)59(79-48(4)87)71(110-78)60(92)53(90)41-81)70(57(45-85)106-76)109-73-49(39-47(3)86)68(62(94)55(43-83)103-73)107-75-65(97)63(95)61(93)54(42-82)104-75/h49-57,59-76,81-85,88-90,92-99H,5-46H2,1-4H3,(H,79,87)(H,80,91)(H,100,101)/t49-,50+,51-,52+,53-,54-,55-,56-,57-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70+,71?,72-,73+,74-,75+,76+,78+/m1/s1",MOJACMPNEYDDTM,LSSJRQBPSA,N,Ganglioside GM1 (d18:0/22:0),MOJACMPNEYDDTM-LSSJRQBPSA-N
HMDB11883,1600.944005772,C78H140N2O31,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C78H140N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-58(91)80-50(51(88)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)46-102-74-66(98)64(96)69(56(44-84)105-74)108-76-67(99)72(111-78(77(100)101)40-52(89)59(79-48(4)87)71(110-78)60(92)53(90)41-81)70(57(45-85)106-76)109-73-49(39-47(3)86)68(62(94)55(43-83)103-73)107-75-65(97)63(95)61(93)54(42-82)104-75/h19-20,49-57,59-76,81-85,88-90,92-99H,5-18,21-46H2,1-4H3,(H,79,87)(H,80,91)(H,100,101)/b20-19-/t49-,50+,51-,52+,53-,54-,55-,56-,57-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70+,71?,72-,73+,74-,75+,76+,78+/m1/s1",BLDSLDDNHGRSQF,LJUUXLTOSA,N,Ganglioside GM1 (d18:0/22:1(13Z)),BLDSLDDNHGRSQF-LJUUXLTOSA-N
HMDB11884,1616.9753059,C79H144N2O31,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C79H144N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-59(92)81-51(52(89)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)47-103-75-67(99)65(97)70(57(45-85)106-75)109-77-68(100)73(112-79(78(101)102)41-53(90)60(80-49(4)88)72(111-79)61(93)54(91)42-82)71(58(46-86)107-77)110-74-50(40-48(3)87)69(63(95)56(44-84)104-74)108-76-66(98)64(96)62(94)55(43-83)105-76/h50-58,60-77,82-86,89-91,93-100H,5-47H2,1-4H3,(H,80,88)(H,81,92)(H,101,102)/t50-,51+,52-,53+,54-,55-,56-,57-,58-,60-,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71+,72?,73-,74+,75-,76+,77+,79+/m1/s1",AHNDRCGVVOSSOL,NCTVWYLDSA,N,Ganglioside GM1 (d18:0/23:0),AHNDRCGVVOSSOL-NCTVWYLDSA-N
HMDB11885,1630.990955964,C80H146N2O31,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C80H146N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-60(93)82-52(53(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)48-104-76-68(100)66(98)71(58(46-86)107-76)110-78-69(101)74(113-80(79(102)103)42-54(91)61(81-50(4)89)73(112-80)62(94)55(92)43-83)72(59(47-87)108-78)111-75-51(41-49(3)88)70(64(96)57(45-85)105-75)109-77-67(99)65(97)63(95)56(44-84)106-77/h51-59,61-78,83-87,90-92,94-101H,5-48H2,1-4H3,(H,81,89)(H,82,93)(H,102,103)/t51-,52+,53-,54+,55-,56-,57-,58-,59-,61-,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72+,73?,74-,75+,76-,77+,78+,80+/m1/s1",SZZMNTYKRBDYBV,SGZBOYEWSA,N,Ganglioside GM1 (d18:0/24:0),SZZMNTYKRBDYBV-SGZBOYEWSA-N
HMDB11886,1628.9753059,C80H144N2O31,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C80H144N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-60(93)82-52(53(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)48-104-76-68(100)66(98)71(58(46-86)107-76)110-78-69(101)74(113-80(79(102)103)42-54(91)61(81-50(4)89)73(112-80)62(94)55(92)43-83)72(59(47-87)108-78)111-75-51(41-49(3)88)70(64(96)57(45-85)105-75)109-77-67(99)65(97)63(95)56(44-84)106-77/h19-20,51-59,61-78,83-87,90-92,94-101H,5-18,21-48H2,1-4H3,(H,81,89)(H,82,93)(H,102,103)/b20-19-/t51-,52+,53-,54+,55-,56-,57-,58-,59-,61-,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72+,73?,74-,75+,76-,77+,78+,80+/m1/s1",ZLQMCZZNFCBIAG,PRPLCOCJSA,N,Ganglioside GM1 (d18:0/24:1(15Z)),ZLQMCZZNFCBIAG-PRPLCOCJSA-N
HMDB11887,1645.006606028,C81H148N2O31,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C81H148N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-61(94)83-53(54(91)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)49-105-77-69(101)67(99)72(59(47-87)108-77)111-79-70(102)75(114-81(80(103)104)43-55(92)62(82-51(4)90)74(113-81)63(95)56(93)44-84)73(60(48-88)109-79)112-76-52(42-50(3)89)71(65(97)58(46-86)106-76)110-78-68(100)66(98)64(96)57(45-85)107-78/h52-60,62-79,84-88,91-93,95-102H,5-49H2,1-4H3,(H,82,90)(H,83,94)(H,103,104)/t52-,53+,54-,55+,56-,57-,58-,59-,60-,62-,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73+,74?,75-,76+,77-,78+,79+,81+/m1/s1",NSTGRSBQZBUCHF,PXIOBHTASA,N,Ganglioside GM1 (d18:0/25:0),NSTGRSBQZBUCHF-PXIOBHTASA-N
HMDB11888,1659.022256092,C82H150N2O31,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C82H150N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-62(95)84-54(55(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)50-106-78-70(102)68(100)73(60(48-88)109-78)112-80-71(103)76(115-82(81(104)105)44-56(93)63(83-52(4)91)75(114-82)64(96)57(94)45-85)74(61(49-89)110-80)113-77-53(43-51(3)90)72(66(98)59(47-87)107-77)111-79-69(101)67(99)65(97)58(46-86)108-79/h53-61,63-80,85-89,92-94,96-103H,5-50H2,1-4H3,(H,83,91)(H,84,95)(H,104,105)/t53-,54+,55-,56+,57-,58-,59-,60-,61-,63-,64-,65+,66+,67+,68-,69-,70-,71-,72-,73-,74+,75?,76-,77+,78-,79+,80+,82+/m1/s1",WTCYFYWRTROONN,JKMLABJVSA,N,Ganglioside GM1 (d18:0/26:0),WTCYFYWRTROONN-JKMLABJVSA-N
HMDB11889,1657.006606028,C82H148N2O31,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C82H148N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-62(95)84-54(55(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)50-106-78-70(102)68(100)73(60(48-88)109-78)112-80-71(103)76(115-82(81(104)105)44-56(93)63(83-52(4)91)75(114-82)64(96)57(94)45-85)74(61(49-89)110-80)113-77-53(43-51(3)90)72(66(98)59(47-87)107-77)111-79-69(101)67(99)65(97)58(46-86)108-79/h19-20,53-61,63-80,85-89,92-94,96-103H,5-18,21-50H2,1-4H3,(H,83,91)(H,84,95)(H,104,105)/b20-19-/t53-,54+,55-,56+,57-,58-,59-,60-,61-,63-,64-,65+,66+,67+,68-,69-,70-,71-,72-,73-,74+,75?,76-,77+,78-,79+,80+,82+/m1/s1",BCVQKPMDIRSNIV,NRKYKQDBSA,N,Ganglioside GM1 (d18:0/26:1(17Z)),BCVQKPMDIRSNIV-NRKYKQDBSA-N
HMDB11890,1488.81880526,C70H124N2O31,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C70H124N2O31/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-43(80)42(72-50(83)30-28-26-24-22-19-16-14-12-10-8-6-2)38-94-66-58(90)56(88)61(48(36-76)97-66)100-68-59(91)64(103-70(69(92)93)32-44(81)51(71-40(4)79)63(102-70)52(84)45(82)33-73)62(49(37-77)98-68)101-65-41(31-39(3)78)60(54(86)47(35-75)95-65)99-67-57(89)55(87)53(85)46(34-74)96-67/h27,29,41-49,51-68,73-77,80-82,84-91H,5-26,28,30-38H2,1-4H3,(H,71,79)(H,72,83)(H,92,93)/b29-27+/t41-,42+,43-,44+,45-,46-,47-,48-,49-,51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,62+,63?,64-,65+,66-,67+,68+,70+/m1/s1",ZOILLGXBGMZIFX,KXOWSWJMSA,N,Ganglioside GM1 (d18:1/14:0),ZOILLGXBGMZIFX-KXOWSWJMSA-N
HMDB11891,1542.865755452,C74H130N2O31,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C74H130N2O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(87)76-46(47(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)42-98-70-62(94)60(92)65(52(40-80)101-70)104-72-63(95)68(107-74(73(96)97)36-48(85)55(75-44(4)83)67(106-74)56(88)49(86)37-77)66(53(41-81)102-72)105-69-45(35-43(3)82)64(58(90)51(39-79)99-69)103-71-61(93)59(91)57(89)50(38-78)100-71/h15,17,31,33,45-53,55-72,77-81,84-86,88-95H,5-14,16,18-30,32,34-42H2,1-4H3,(H,75,83)(H,76,87)(H,96,97)/b17-15-,33-31+/t45-,46+,47-,48+,49-,50-,51-,52-,53-,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,72+,74+/m1/s1",CDOUYQKOBIMCFX,SOTPFQQESA,N,Ganglioside GM1 (d18:1/18:1(11Z)),CDOUYQKOBIMCFX-SOTPFQQESA-N
HMDB11892,1598.928355708,C78H138N2O31,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C78H138N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-58(91)80-50(51(88)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)46-102-74-66(98)64(96)69(56(44-84)105-74)108-76-67(99)72(111-78(77(100)101)40-52(89)59(79-48(4)87)71(110-78)60(92)53(90)41-81)70(57(45-85)106-76)109-73-49(39-47(3)86)68(62(94)55(43-83)103-73)107-75-65(97)63(95)61(93)54(42-82)104-75/h19-20,35,37,49-57,59-76,81-85,88-90,92-99H,5-18,21-34,36,38-46H2,1-4H3,(H,79,87)(H,80,91)(H,100,101)/b20-19-,37-35+/t49-,50+,51-,52+,53-,54-,55-,56-,57-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70+,71?,72-,73+,74-,75+,76+,78+/m1/s1",RAJRIARULFTNFT,RDYDBCSJSA,N,Ganglioside GM1 (d18:1/22:1(13Z)),RAJRIARULFTNFT-RDYDBCSJSA-N
HMDB11893,1614.959655836,C79H142N2O31,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C79H142N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-59(92)81-51(52(89)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)47-103-75-67(99)65(97)70(57(45-85)106-75)109-77-68(100)73(112-79(78(101)102)41-53(90)60(80-49(4)88)72(111-79)61(93)54(91)42-82)71(58(46-86)107-77)110-74-50(40-48(3)87)69(63(95)56(44-84)104-74)108-76-66(98)64(96)62(94)55(43-83)105-76/h36,38,50-58,60-77,82-86,89-91,93-100H,5-35,37,39-47H2,1-4H3,(H,80,88)(H,81,92)(H,101,102)/b38-36+/t50-,51+,52-,53+,54-,55-,56-,57-,58-,60-,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71+,72?,73-,74+,75-,76+,77+,79+/m1/s1",RLQDORSASYKBNB,AUXSPVDNSA,N,Ganglioside GM1 (d18:1/23:0),RLQDORSASYKBNB-AUXSPVDNSA-N
HMDB11894,1300.750331766,C62H112N2O26,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C62H112N2O26/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-40(71)39(64-46(74)28-26-24-22-19-14-12-10-8-6-2)35-83-59-52(79)51(78)54(44(33-67)85-59)87-60-53(80)57(55(45(34-68)86-60)88-58-38(29-36(3)69)48(75)50(77)43(32-66)84-58)90-62(61(81)82)30-41(72)47(63-37(4)70)56(89-62)49(76)42(73)31-65/h38-45,47-60,65-68,71-73,75-80H,5-35H2,1-4H3,(H,63,70)(H,64,74)(H,81,82)/t38-,39+,40-,41+,42-,43-,44-,45-,47-,48-,49-,50+,51-,52-,53-,54-,55+,56?,57-,58+,59-,60+,62+/m1/s1",UKUHZABZYBYURP,UEJXXIOUSA,N,Ganglioside GM2 (d18:0/12:0),UKUHZABZYBYURP-UEJXXIOUSA-N
HMDB11895,1328.781631894,C64H116N2O26,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C64H116N2O26/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-42(73)41(66-48(76)30-28-26-24-22-19-16-14-12-10-8-6-2)37-85-61-54(81)53(80)56(46(35-69)87-61)89-62-55(82)59(57(47(36-70)88-62)90-60-40(31-38(3)71)50(77)52(79)45(34-68)86-60)92-64(63(83)84)32-43(74)49(65-39(4)72)58(91-64)51(78)44(75)33-67/h40-47,49-62,67-70,73-75,77-82H,5-37H2,1-4H3,(H,65,72)(H,66,76)(H,83,84)/t40-,41+,42-,43+,44-,45-,46-,47-,49-,50-,51-,52+,53-,54-,55-,56-,57+,58?,59-,60+,61-,62+,64+/m1/s1",VOAUEJGCMZOPAG,QRLGEODXSA,N,Ganglioside GM2 (d18:0/14:0),VOAUEJGCMZOPAG-QRLGEODXSA-N
HMDB11896,1356.812932022,C66H120N2O26,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C66H120N2O26/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44(75)43(68-50(78)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-87-63-56(83)55(82)58(48(37-71)89-63)91-64-57(84)61(59(49(38-72)90-64)92-62-42(33-40(3)73)52(79)54(81)47(36-70)88-62)94-66(65(85)86)34-45(76)51(67-41(4)74)60(93-66)53(80)46(77)35-69/h42-49,51-64,69-72,75-77,79-84H,5-39H2,1-4H3,(H,67,74)(H,68,78)(H,85,86)/t42-,43+,44-,45+,46-,47-,48-,49-,51-,52-,53-,54+,55-,56-,57-,58-,59+,60?,61-,62+,63-,64+,66+/m1/s1",DHKHQJJJGFMATL,NIFOSJJTSA,N,Ganglioside GM2 (d18:0/16:0),DHKHQJJJGFMATL-NIFOSJJTSA-N
HMDB11897,1384.84423215,C68H124N2O26,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C68H124N2O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(80)70-45(46(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-89-65-58(85)57(84)60(50(39-73)91-65)93-66-59(86)63(61(51(40-74)92-66)94-64-44(35-42(3)75)54(81)56(83)49(38-72)90-64)96-68(67(87)88)36-47(78)53(69-43(4)76)62(95-68)55(82)48(79)37-71/h44-51,53-66,71-74,77-79,81-86H,5-41H2,1-4H3,(H,69,76)(H,70,80)(H,87,88)/t44-,45+,46-,47+,48-,49-,50-,51-,53-,54-,55-,56+,57-,58-,59-,60-,61+,62?,63-,64+,65-,66+,68+/m1/s1",DELAUYOYUNXIQV,GJAMDAMSSA,N,Ganglioside GM2 (d18:0/18:0),DELAUYOYUNXIQV-GJAMDAMSSA-N
HMDB11898,1382.828582086,C68H122N2O26,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C68H122N2O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(80)70-45(46(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-89-65-58(85)57(84)60(50(39-73)91-65)93-66-59(86)63(61(51(40-74)92-66)94-64-44(35-42(3)75)54(81)56(83)49(38-72)90-64)96-68(67(87)88)36-47(78)53(69-43(4)76)62(95-68)55(82)48(79)37-71/h15,17,44-51,53-66,71-74,77-79,81-86H,5-14,16,18-41H2,1-4H3,(H,69,76)(H,70,80)(H,87,88)/b17-15-/t44-,45+,46-,47+,48-,49-,50-,51-,53-,54-,55-,56+,57-,58-,59-,60-,61+,62?,63-,64+,65-,66+,68+/m1/s1",AOOVPPXCEUSUEM,SXRKXXPISA,N,Ganglioside GM2 (d18:0/18:1(11Z)),AOOVPPXCEUSUEM-SXRKXXPISA-N
HMDB11899,1382.828582086,C68H122N2O26,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C68H122N2O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(80)70-45(46(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-89-65-58(85)57(84)60(50(39-73)91-65)93-66-59(86)63(61(51(40-74)92-66)94-64-44(35-42(3)75)54(81)56(83)49(38-72)90-64)96-68(67(87)88)36-47(78)53(69-43(4)76)62(95-68)55(82)48(79)37-71/h19-20,44-51,53-66,71-74,77-79,81-86H,5-18,21-41H2,1-4H3,(H,69,76)(H,70,80)(H,87,88)/b20-19-/t44-,45+,46-,47+,48-,49-,50-,51-,53-,54-,55-,56+,57-,58-,59-,60-,61+,62?,63-,64+,65-,66+,68+/m1/s1",LZWCZOBNKLKFKK,BVZTZFGPSA,N,Ganglioside GM2 (d18:0/18:1(9Z)),LZWCZOBNKLKFKK-BVZTZFGPSA-N
HMDB11900,1412.875532278,C70H128N2O26,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C70H128N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(82)72-47(48(79)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-91-67-60(87)59(86)62(52(41-75)93-67)95-68-61(88)65(63(53(42-76)94-68)96-66-46(37-44(3)77)56(83)58(85)51(40-74)92-66)98-70(69(89)90)38-49(80)55(71-45(4)78)64(97-70)57(84)50(81)39-73/h46-53,55-68,73-76,79-81,83-88H,5-43H2,1-4H3,(H,71,78)(H,72,82)(H,89,90)/t46-,47+,48-,49+,50-,51-,52-,53-,55-,56-,57-,58+,59-,60-,61-,62-,63+,64?,65-,66+,67-,68+,70+/m1/s1",HHICAKHAJPYDIT,UKSMYEJCSA,N,Ganglioside GM2 (d18:0/20:0),HHICAKHAJPYDIT-UKSMYEJCSA-N
HMDB11901,1440.906832406,C72H132N2O26,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C72H132N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(84)74-49(50(81)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-93-69-62(89)61(88)64(54(43-77)95-69)97-70-63(90)67(65(55(44-78)96-70)98-68-48(39-46(3)79)58(85)60(87)53(42-76)94-68)100-72(71(91)92)40-51(82)57(73-47(4)80)66(99-72)59(86)52(83)41-75/h48-55,57-70,75-78,81-83,85-90H,5-45H2,1-4H3,(H,73,80)(H,74,84)(H,91,92)/t48-,49+,50-,51+,52-,53-,54-,55-,57-,58-,59-,60+,61-,62-,63-,64-,65+,66?,67-,68+,69-,70+,72+/m1/s1",SFROWSJBSGFMHF,XHKZMPLESA,N,Ganglioside GM2 (d18:0/22:0),SFROWSJBSGFMHF-XHKZMPLESA-N
HMDB11902,1438.891182342,C72H130N2O26,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C72H130N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(84)74-49(50(81)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-93-69-62(89)61(88)64(54(43-77)95-69)97-70-63(90)67(65(55(44-78)96-70)98-68-48(39-46(3)79)58(85)60(87)53(42-76)94-68)100-72(71(91)92)40-51(82)57(73-47(4)80)66(99-72)59(86)52(83)41-75/h19-20,48-55,57-70,75-78,81-83,85-90H,5-18,21-45H2,1-4H3,(H,73,80)(H,74,84)(H,91,92)/b20-19-/t48-,49+,50-,51+,52-,53-,54-,55-,57-,58-,59-,60+,61-,62-,63-,64-,65+,66?,67-,68+,69-,70+,72+/m1/s1",YPROBZXERNOAOI,OYTXENIOSA,N,Ganglioside GM2 (d18:0/22:1(13Z)),YPROBZXERNOAOI-OYTXENIOSA-N
HMDB11903,1454.92248247,C73H134N2O26,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C73H134N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-57(85)75-50(51(82)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)46-94-70-63(90)62(89)65(55(44-78)96-70)98-71-64(91)68(66(56(45-79)97-71)99-69-49(40-47(3)80)59(86)61(88)54(43-77)95-69)101-73(72(92)93)41-52(83)58(74-48(4)81)67(100-73)60(87)53(84)42-76/h49-56,58-71,76-79,82-84,86-91H,5-46H2,1-4H3,(H,74,81)(H,75,85)(H,92,93)/t49-,50+,51-,52+,53-,54-,55-,56-,58-,59-,60-,61+,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,73+/m1/s1",XZILLDZQQVVHRT,SLZYXVAASA,N,Ganglioside GM2 (d18:0/23:0),XZILLDZQQVVHRT-SLZYXVAASA-N
HMDB11904,1466.92248247,C74H134N2O26,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C74H134N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(86)76-51(52(83)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-95-71-64(91)63(90)66(56(45-79)97-71)99-72-65(92)69(67(57(46-80)98-72)100-70-50(41-48(3)81)60(87)62(89)55(44-78)96-70)102-74(73(93)94)42-53(84)59(75-49(4)82)68(101-74)61(88)54(85)43-77/h37,39,50-57,59-72,77-80,83-85,87-92H,5-36,38,40-47H2,1-4H3,(H,75,82)(H,76,86)(H,93,94)/b39-37+/t50-,51+,52-,53+,54-,55-,56-,57-,59-,60-,61-,62+,63-,64-,65-,66-,67+,68?,69-,70+,71-,72+,74+/m1/s1",PFFOJWDKOJAPCR,CEZPBBOUSA,N,Ganglioside GM2 (d18:0/24:0),PFFOJWDKOJAPCR-CEZPBBOUSA-N
HMDB11905,1466.92248247,C74H134N2O26,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C74H134N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(86)76-51(52(83)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-95-71-64(91)63(90)66(56(45-79)97-71)99-72-65(92)69(67(57(46-80)98-72)100-70-50(41-48(3)81)60(87)62(89)55(44-78)96-70)102-74(73(93)94)42-53(84)59(75-49(4)82)68(101-74)61(88)54(85)43-77/h19-20,50-57,59-72,77-80,83-85,87-92H,5-18,21-47H2,1-4H3,(H,75,82)(H,76,86)(H,93,94)/b20-19-/t50-,51+,52-,53+,54-,55-,56-,57-,59-,60-,61-,62+,63-,64-,65-,66-,67+,68?,69-,70+,71-,72+,74+/m1/s1",YSQMCHDYZPIFEM,NITHCYDPSA,N,Ganglioside GM2 (d18:0/24:1(15Z)),YSQMCHDYZPIFEM-NITHCYDPSA-N
HMDB11906,1482.953782598,C75H138N2O26,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C75H138N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-59(87)77-52(53(84)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)48-96-72-65(92)64(91)67(57(46-80)98-72)100-73-66(93)70(68(58(47-81)99-73)101-71-51(42-49(3)82)61(88)63(90)56(45-79)97-71)103-75(74(94)95)43-54(85)60(76-50(4)83)69(102-75)62(89)55(86)44-78/h51-58,60-73,78-81,84-86,88-93H,5-48H2,1-4H3,(H,76,83)(H,77,87)(H,94,95)/t51-,52+,53-,54+,55-,56-,57-,58-,60-,61-,62-,63+,64-,65-,66-,67-,68+,69?,70-,71+,72-,73+,75+/m1/s1",MQUXYIIALDERRJ,ZAQASFACSA,N,Ganglioside GM2 (d18:0/25:0),MQUXYIIALDERRJ-ZAQASFACSA-N
HMDB11907,1496.969432662,C76H140N2O26,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C76H140N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(88)78-53(54(85)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-97-73-66(93)65(92)68(58(47-81)99-73)101-74-67(94)71(69(59(48-82)100-74)102-72-52(43-50(3)83)62(89)64(91)57(46-80)98-72)104-76(75(95)96)44-55(86)61(77-51(4)84)70(103-76)63(90)56(87)45-79/h52-59,61-74,79-82,85-87,89-94H,5-49H2,1-4H3,(H,77,84)(H,78,88)(H,95,96)/t52-,53+,54-,55+,56-,57-,58-,59-,61-,62-,63-,64+,65-,66-,67-,68-,69+,70?,71-,72+,73-,74+,76+/m1/s1",MHVVXYNQJUXIKV,YBUWPPCSSA,N,Ganglioside GM2 (d18:0/26:0),MHVVXYNQJUXIKV-YBUWPPCSSA-N
HMDB11908,1494.953782598,C76H138N2O26,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C76H138N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(88)78-53(54(85)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-97-73-66(93)65(92)68(58(47-81)99-73)101-74-67(94)71(69(59(48-82)100-74)102-72-52(43-50(3)83)62(89)64(91)57(46-80)98-72)104-76(75(95)96)44-55(86)61(77-51(4)84)70(103-76)63(90)56(87)45-79/h19-20,52-59,61-74,79-82,85-87,89-94H,5-18,21-49H2,1-4H3,(H,77,84)(H,78,88)(H,95,96)/b20-19-/t52-,53+,54-,55+,56-,57-,58-,59-,61-,62-,63-,64+,65-,66-,67-,68-,69+,70?,71-,72+,73-,74+,76+/m1/s1",VEBHQGGEXGFBMT,PEGUDDRNSA,N,Ganglioside GM2 (d18:0/26:1(17Z)),VEBHQGGEXGFBMT-PEGUDDRNSA-N
HMDB11909,1326.76598183,C64H114N2O26,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C64H114N2O26/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-42(73)41(66-48(76)30-28-26-24-22-19-16-14-12-10-8-6-2)37-85-61-54(81)53(80)56(46(35-69)87-61)89-62-55(82)59(57(47(36-70)88-62)90-60-40(31-38(3)71)50(77)52(79)45(34-68)86-60)92-64(63(83)84)32-43(74)49(65-39(4)72)58(91-64)51(78)44(75)33-67/h27,29,40-47,49-62,67-70,73-75,77-82H,5-26,28,30-37H2,1-4H3,(H,65,72)(H,66,76)(H,83,84)/b29-27+/t40-,41+,42-,43+,44-,45-,46-,47-,49-,50-,51-,52+,53-,54-,55-,56-,57+,58?,59-,60+,61-,62+,64+/m1/s1",NMOXQSUGENJZRE,IFKIYHPZSA,N,Ganglioside GM2 (d18:1/14:0),NMOXQSUGENJZRE-IFKIYHPZSA-N
HMDB11910,1380.812932022,C68H120N2O26,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C68H120N2O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(80)70-45(46(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-89-65-58(85)57(84)60(50(39-73)91-65)93-66-59(86)63(61(51(40-74)92-66)94-64-44(35-42(3)75)54(81)56(83)49(38-72)90-64)96-68(67(87)88)36-47(78)53(69-43(4)76)62(95-68)55(82)48(79)37-71/h15,17,31,33,44-51,53-66,71-74,77-79,81-86H,5-14,16,18-30,32,34-41H2,1-4H3,(H,69,76)(H,70,80)(H,87,88)/b17-15-,33-31+/t44-,45+,46-,47+,48-,49-,50-,51-,53-,54-,55-,56+,57-,58-,59-,60-,61+,62?,63-,64+,65-,66+,68+/m1/s1",IFFZTEQUGLSSTQ,DTLCATJTSA,N,Ganglioside GM2 (d18:1/18:1(11Z)),IFFZTEQUGLSSTQ-DTLCATJTSA-N
HMDB11911,1436.875532278,C72H128N2O26,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C72H128N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(84)74-49(50(81)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-93-69-62(89)61(88)64(54(43-77)95-69)97-70-63(90)67(65(55(44-78)96-70)98-68-48(39-46(3)79)58(85)60(87)53(42-76)94-68)100-72(71(91)92)40-51(82)57(73-47(4)80)66(99-72)59(86)52(83)41-75/h19-20,35,37,48-55,57-70,75-78,81-83,85-90H,5-18,21-34,36,38-45H2,1-4H3,(H,73,80)(H,74,84)(H,91,92)/b20-19-,37-35+/t48-,49+,50-,51+,52-,53-,54-,55-,57-,58-,59-,60+,61-,62-,63-,64-,65+,66?,67-,68+,69-,70+,72+/m1/s1",ALHHPRFACCFRKW,WTNIJDKASA,N,Ganglioside GM2 (d18:1/22:1(13Z)),ALHHPRFACCFRKW-WTNIJDKASA-N
HMDB11912,1452.906832406,C73H132N2O26,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C73H132N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-57(85)75-50(51(82)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)46-94-70-63(90)62(89)65(55(44-78)96-70)98-71-64(91)68(66(56(45-79)97-71)99-69-49(40-47(3)80)59(86)61(88)54(43-77)95-69)101-73(72(92)93)41-52(83)58(74-48(4)81)67(100-73)60(87)53(84)42-76/h36,38,49-56,58-71,76-79,82-84,86-91H,5-35,37,39-46H2,1-4H3,(H,74,81)(H,75,85)(H,92,93)/b38-36+/t49-,50+,51-,52+,53-,54-,55-,56-,58-,59-,60-,61+,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,73+/m1/s1",WDEAITNWAKFRFR,DSDNQSAHSA,N,Ganglioside GM2 (d18:1/23:0),WDEAITNWAKFRFR-DSDNQSAHSA-N
HMDB11913,1098.666208208,C53H98N2O21,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C53H98N2O21/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(60)34(55-40(63)27-25-23-21-18-13-11-9-7-5-2)32-71-50-45(67)44(66)47(39(31-58)73-50)74-51-46(68)49(43(65)38(30-57)72-51)76-53(52(69)70)28-36(61)41(54-33(3)59)48(75-53)42(64)37(62)29-56/h34-39,41-51,56-58,60-62,64-68H,4-32H2,1-3H3,(H,54,59)(H,55,63)(H,69,70)/t34-,35+,36-,37+,38+,39+,41+,42+,43-,44+,45+,46+,47+,48?,49-,50+,51-,53-/m0/s1",BRONPUKEHHXJAI,WBICLXEUSA,N,Ganglioside GM3 (d18:0/12:0),BRONPUKEHHXJAI-WBICLXEUSA-N
HMDB11914,1126.697508336,C55H102N2O21,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H102N2O21/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-37(62)36(57-42(65)29-27-25-23-21-18-15-13-11-9-7-5-2)34-73-52-47(69)46(68)49(41(33-60)75-52)76-53-48(70)51(45(67)40(32-59)74-53)78-55(54(71)72)30-38(63)43(56-35(3)61)50(77-55)44(66)39(64)31-58/h36-41,43-53,58-60,62-64,66-70H,4-34H2,1-3H3,(H,56,61)(H,57,65)(H,71,72)/t36-,37+,38-,39+,40+,41+,43+,44+,45-,46+,47+,48+,49+,50?,51-,52+,53-,55-/m0/s1",QGGCALSIIQGFOU,GQHXLKGDSA,N,Ganglioside GM3 (d18:0/14:0),QGGCALSIIQGFOU-GQHXLKGDSA-N
HMDB11915,1154.728808464,C57H106N2O21,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H106N2O21/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(64)38(59-44(67)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-75-54-49(71)48(70)51(43(35-62)77-54)78-55-50(72)53(47(69)42(34-61)76-55)80-57(56(73)74)32-40(65)45(58-37(3)63)52(79-57)46(68)41(66)33-60/h38-43,45-55,60-62,64-66,68-72H,4-36H2,1-3H3,(H,58,63)(H,59,67)(H,73,74)/t38-,39+,40-,41+,42+,43+,45+,46+,47-,48+,49+,50+,51+,52?,53-,54+,55-,57-/m0/s1",RBTPLAKLLKHEMT,LFOAMVHVSA,N,Ganglioside GM3 (d18:0/16:0),RBTPLAKLLKHEMT-LFOAMVHVSA-N
HMDB11916,1182.760108592,C59H110N2O21,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C59H110N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h40-45,47-57,62-64,66-68,70-74H,4-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51+,52+,53+,54?,55-,56+,57-,59-/m0/s1",CFCULLUWKLQKFQ,SSYCJGENSA,N,Ganglioside GM3 (d18:0/18:0),CFCULLUWKLQKFQ-SSYCJGENSA-N
HMDB11917,1180.744458528,C59H108N2O21,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h14,16,40-45,47-57,62-64,66-68,70-74H,4-13,15,17-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/b16-14-/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51+,52+,53+,54?,55-,56+,57-,59-/m0/s1",HLDHEAYPJCILAP,QUWVWZRWSA,N,Ganglioside GM3 (d18:0/18:1(11Z)),HLDHEAYPJCILAP-QUWVWZRWSA-N
HMDB11918,1180.744458528,C59H108N2O21,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h18-19,40-45,47-57,62-64,66-68,70-74H,4-17,20-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/b19-18-/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51+,52+,53+,54?,55-,56+,57-,59-/m0/s1",YFBRDNHJGLKDRI,QCFZJGSMSA,N,Ganglioside GM3 (d18:0/18:1(9Z)),YFBRDNHJGLKDRI-QCFZJGSMSA-N
HMDB11919,1210.79140872,C61H114N2O21,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C61H114N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-48(71)63-42(43(68)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)40-79-58-53(75)52(74)55(47(39-66)81-58)82-59-54(76)57(51(73)46(38-65)80-59)84-61(60(77)78)36-44(69)49(62-41(3)67)56(83-61)50(72)45(70)37-64/h42-47,49-59,64-66,68-70,72-76H,4-40H2,1-3H3,(H,62,67)(H,63,71)(H,77,78)/t42-,43+,44-,45+,46+,47+,49+,50+,51-,52+,53+,54+,55+,56?,57-,58+,59-,61-/m0/s1",CNPPRLYZKHJIHM,NWFLUUCRSA,N,Ganglioside GM3 (d18:0/20:0),CNPPRLYZKHJIHM-NWFLUUCRSA-N
HMDB11920,1238.822708848,C63H118N2O21,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C63H118N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(73)65-44(45(70)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-81-60-55(77)54(76)57(49(41-68)83-60)84-61-56(78)59(53(75)48(40-67)82-61)86-63(62(79)80)38-46(71)51(64-43(3)69)58(85-63)52(74)47(72)39-66/h44-49,51-61,66-68,70-72,74-78H,4-42H2,1-3H3,(H,64,69)(H,65,73)(H,79,80)/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55+,56+,57+,58?,59-,60+,61-,63-/m0/s1",RVEVFONPRRNOAB,CXQZVJPLSA,N,Ganglioside GM3 (d18:0/22:0),RVEVFONPRRNOAB-CXQZVJPLSA-N
HMDB11921,1236.807058784,C63H116N2O21,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(73)65-44(45(70)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-81-60-55(77)54(76)57(49(41-68)83-60)84-61-56(78)59(53(75)48(40-67)82-61)86-63(62(79)80)38-46(71)51(64-43(3)69)58(85-63)52(74)47(72)39-66/h18-19,44-49,51-61,66-68,70-72,74-78H,4-17,20-42H2,1-3H3,(H,64,69)(H,65,73)(H,79,80)/b19-18-/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55+,56+,57+,58?,59-,60+,61-,63-/m0/s1",GCOCNRSRHMEIET,HILFQRFJSA,N,Ganglioside GM3 (d18:0/22:1(13Z)),GCOCNRSRHMEIET-HILFQRFJSA-N
HMDB11922,1252.838358912,C64H120N2O21,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C64H120N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-38-51(74)66-45(46(71)37-35-33-31-29-27-25-17-15-13-11-9-7-5-2)43-82-61-56(78)55(77)58(50(42-69)84-61)85-62-57(79)60(54(76)49(41-68)83-62)87-64(63(80)81)39-47(72)52(65-44(3)70)59(86-64)53(75)48(73)40-67/h45-50,52-62,67-69,71-73,75-79H,4-43H2,1-3H3,(H,65,70)(H,66,74)(H,80,81)/t45-,46+,47-,48+,49+,50+,52+,53+,54-,55+,56+,57+,58+,59?,60-,61+,62-,64-/m0/s1",VNJFOHLFORWZAK,HXLLUTKWSA,N,Ganglioside GM3 (d18:0/23:0),VNJFOHLFORWZAK-HXLLUTKWSA-N
HMDB11923,1266.854008976,C65H122N2O21,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C65H122N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(75)67-46(47(72)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-83-62-57(79)56(78)59(51(43-70)85-62)86-63-58(80)61(55(77)50(42-69)84-63)88-65(64(81)82)40-48(73)53(66-45(3)71)60(87-65)54(76)49(74)41-68/h46-51,53-63,68-70,72-74,76-80H,4-44H2,1-3H3,(H,66,71)(H,67,75)(H,81,82)/t46-,47+,48-,49+,50+,51+,53+,54+,55-,56+,57+,58+,59+,60?,61-,62+,63-,65-/m0/s1",OQKAQHLYWLTQHR,CFESZDLJSA,N,Ganglioside GM3 (d18:0/24:0),OQKAQHLYWLTQHR-CFESZDLJSA-N
HMDB11924,1264.838358912,C65H120N2O21,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(75)67-46(47(72)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-83-62-57(79)56(78)59(51(43-70)85-62)86-63-58(80)61(55(77)50(42-69)84-63)88-65(64(81)82)40-48(73)53(66-45(3)71)60(87-65)54(76)49(74)41-68/h18-19,46-51,53-63,68-70,72-74,76-80H,4-17,20-44H2,1-3H3,(H,66,71)(H,67,75)(H,81,82)/b19-18-/t46-,47+,48-,49+,50+,51+,53+,54+,55-,56+,57+,58+,59+,60?,61-,62+,63-,65-/m0/s1",YMCDOXNQLVDSQL,NEEOLJHUSA,N,Ganglioside GM3 (d18:0/24:1(15Z)),YMCDOXNQLVDSQL-NEEOLJHUSA-N
HMDB11925,1280.86965904,C66H124N2O21,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C66H124N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-53(76)68-47(48(73)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)45-84-63-58(80)57(79)60(52(44-71)86-63)87-64-59(81)62(56(78)51(43-70)85-64)89-66(65(82)83)41-49(74)54(67-46(3)72)61(88-66)55(77)50(75)42-69/h47-52,54-64,69-71,73-75,77-81H,4-45H2,1-3H3,(H,67,72)(H,68,76)(H,82,83)/t47-,48+,49-,50+,51+,52+,54+,55+,56-,57+,58+,59+,60+,61?,62-,63+,64-,66-/m0/s1",VEMCOKFNMSMLOP,OKAPLKECSA,N,Ganglioside GM3 (d18:0/25:0),VEMCOKFNMSMLOP-OKAPLKECSA-N
HMDB11926,1294.885309104,C67H126N2O21,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C67H126N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(77)69-48(49(74)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-85-64-59(81)58(80)61(53(45-72)87-64)88-65-60(82)63(57(79)52(44-71)86-65)90-67(66(83)84)42-50(75)55(68-47(3)73)62(89-67)56(78)51(76)43-70/h48-53,55-65,70-72,74-76,78-82H,4-46H2,1-3H3,(H,68,73)(H,69,77)(H,83,84)/t48-,49+,50-,51+,52+,53+,55+,56+,57-,58+,59+,60+,61+,62?,63-,64+,65-,67-/m0/s1",MEMLDEFJYMOSCW,MNCCINDPSA,N,Ganglioside GM3 (d18:0/26:0),MEMLDEFJYMOSCW-MNCCINDPSA-N
HMDB11927,1292.86965904,C67H124N2O21,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(77)69-48(49(74)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-85-64-59(81)58(80)61(53(45-72)87-64)88-65-60(82)63(57(79)52(44-71)86-65)90-67(66(83)84)42-50(75)55(68-47(3)73)62(89-67)56(78)51(76)43-70/h18-19,48-53,55-65,70-72,74-76,78-82H,4-17,20-46H2,1-3H3,(H,68,73)(H,69,77)(H,83,84)/b19-18-/t48-,49+,50-,51+,52+,53+,55+,56+,57-,58+,59+,60+,61+,62?,63-,64+,65-,67-/m0/s1",ILQBOMWKDYUGMT,QRFYVZPWSA,N,Ganglioside GM3 (d18:0/26:1(17Z)),ILQBOMWKDYUGMT-QRFYVZPWSA-N
HMDB11928,1124.681858272,C55H100N2O21,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H100N2O21/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-37(62)36(57-42(65)29-27-25-23-21-18-15-13-11-9-7-5-2)34-73-52-47(69)46(68)49(41(33-60)75-52)76-53-48(70)51(45(67)40(32-59)74-53)78-55(54(71)72)30-38(63)43(56-35(3)61)50(77-55)44(66)39(64)31-58/h26,28,36-41,43-53,58-60,62-64,66-70H,4-25,27,29-34H2,1-3H3,(H,56,61)(H,57,65)(H,71,72)/b28-26+/t36-,37+,38-,39+,40+,41+,43+,44+,45-,46+,47+,48+,49+,50?,51-,52+,53-,55-/m0/s1",SAQKJEIUERPJFX,HBNCRRMFSA,N,Ganglioside GM3 (d18:1/14:0),SAQKJEIUERPJFX-HBNCRRMFSA-N
HMDB11929,1178.728808464,C59H106N2O21,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h14,16,30,32,40-45,47-57,62-64,66-68,70-74H,4-13,15,17-29,31,33-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/b16-14-,32-30+/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51+,52+,53+,54?,55-,56+,57-,59-/m0/s1",JSZYPYTXNLIPMV,MORHDKTASA,N,Ganglioside GM3 (d18:1/18:1(11Z)),JSZYPYTXNLIPMV-MORHDKTASA-N
HMDB11930,1234.79140872,C63H114N2O21,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(73)65-44(45(70)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-81-60-55(77)54(76)57(49(41-68)83-60)84-61-56(78)59(53(75)48(40-67)82-61)86-63(62(79)80)38-46(71)51(64-43(3)69)58(85-63)52(74)47(72)39-66/h18-19,34,36,44-49,51-61,66-68,70-72,74-78H,4-17,20-33,35,37-42H2,1-3H3,(H,64,69)(H,65,73)(H,79,80)/b19-18-,36-34+/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55+,56+,57+,58?,59-,60+,61-,63-/m0/s1",WVVWYQOPRPVQFM,VFUJCJJESA,N,Ganglioside GM3 (d18:1/22:1(13Z)),WVVWYQOPRPVQFM-VFUJCJJESA-N
HMDB11931,1250.822708848,C64H118N2O21,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C64H118N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-38-51(74)66-45(46(71)37-35-33-31-29-27-25-17-15-13-11-9-7-5-2)43-82-61-56(78)55(77)58(50(42-69)84-61)85-62-57(79)60(54(76)49(41-68)83-62)87-64(63(80)81)39-47(72)52(65-44(3)70)59(86-64)53(75)48(73)40-67/h35,37,45-50,52-62,67-69,71-73,75-79H,4-34,36,38-43H2,1-3H3,(H,65,70)(H,66,74)(H,80,81)/b37-35+/t45-,46+,47-,48+,49+,50+,52+,53+,54-,55+,56+,57+,58+,59?,60-,61+,62-,64-/m0/s1",NVMUTWNBCCAIGX,CTLLNQFWSA,N,Ganglioside GM3 (d18:1/23:0),NVMUTWNBCCAIGX-CTLLNQFWSA-N
HMDB11932,2336.089404771,C101H173N5O55,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C101H173N5O55/c1-8-10-12-14-16-18-19-20-21-23-24-26-28-30-53(120)52(106-66(127)31-29-27-25-22-17-15-13-11-9-2)45-146-91-78(135)77(134)82(64(43-113)149-91)152-93-80(137)89(83(65(44-114)150-93)153-90-51(32-46(3)115)81(73(130)60(39-109)147-90)151-92-79(136)88(74(131)61(40-110)148-92)160-100(96(142)143)35-56(123)68(103-48(5)117)85(157-100)72(129)59(126)38-108)161-101(97(144)145)36-57(124)70(105-50(7)119)87(159-101)76(133)63(42-112)155-99(95(140)141)34-55(122)69(104-49(6)118)86(158-99)75(132)62(41-111)154-98(94(138)139)33-54(121)67(102-47(4)116)84(156-98)71(128)58(125)37-107/h51-65,67-93,107-114,120-126,128-137H,8-45H2,1-7H3,(H,102,116)(H,103,117)(H,104,118)(H,105,119)(H,106,127)(H,138,139)(H,140,141)(H,142,143)(H,144,145)/t51-,52+,53-,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72-,73+,74+,75-,76-,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87?,88+,89-,90+,91-,92+,93+,98-,99-,100+,101+/m1/s1",PRXZEZLIUMABNY,NZDASISNSA,N,Ganglioside GQ1c (d18:0/12:0),PRXZEZLIUMABNY-NZDASISNSA-N
HMDB11933,2364.120704899,C103H177N5O55,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C103H177N5O55/c1-8-10-12-14-16-18-20-21-23-24-26-28-30-32-55(122)54(108-68(129)33-31-29-27-25-22-19-17-15-13-11-9-2)47-148-93-80(137)79(136)84(66(45-115)151-93)154-95-82(139)91(85(67(46-116)152-95)155-92-53(34-48(3)117)83(75(132)62(41-111)149-92)153-94-81(138)90(76(133)63(42-112)150-94)162-102(98(144)145)37-58(125)70(105-50(5)119)87(159-102)74(131)61(128)40-110)163-103(99(146)147)38-59(126)72(107-52(7)121)89(161-103)78(135)65(44-114)157-101(97(142)143)36-57(124)71(106-51(6)120)88(160-101)77(134)64(43-113)156-100(96(140)141)35-56(123)69(104-49(4)118)86(158-100)73(130)60(127)39-109/h53-67,69-95,109-116,122-128,130-139H,8-47H2,1-7H3,(H,104,118)(H,105,119)(H,106,120)(H,107,121)(H,108,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)/t53-,54+,55-,56+,57+,58+,59+,60-,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74-,75+,76+,77-,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89?,90+,91-,92+,93-,94+,95+,100-,101-,102+,103+/m1/s1",BIHZHBDPQQPHIM,ONQYWAELSA,N,Ganglioside GQ1c (d18:0/14:0),BIHZHBDPQQPHIM-ONQYWAELSA-N
HMDB11934,2392.152005027,C105H181N5O55,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C105H181N5O55/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-57(124)56(110-70(131)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)49-150-95-82(139)81(138)86(68(47-117)153-95)156-97-84(141)93(87(69(48-118)154-97)157-94-55(36-50(3)119)85(77(134)64(43-113)151-94)155-96-83(140)92(78(135)65(44-114)152-96)164-104(100(146)147)39-60(127)72(107-52(5)121)89(161-104)76(133)63(130)42-112)165-105(101(148)149)40-61(128)74(109-54(7)123)91(163-105)80(137)67(46-116)159-103(99(144)145)38-59(126)73(108-53(6)122)90(162-103)79(136)66(45-115)158-102(98(142)143)37-58(125)71(106-51(4)120)88(160-102)75(132)62(129)41-111/h55-69,71-97,111-118,124-130,132-141H,8-49H2,1-7H3,(H,106,120)(H,107,121)(H,108,122)(H,109,123)(H,110,131)(H,142,143)(H,144,145)(H,146,147)(H,148,149)/t55-,56+,57-,58+,59+,60+,61+,62-,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91?,92+,93-,94+,95-,96+,97+,102-,103-,104+,105+/m1/s1",JGBVSNZOIAPDIV,IZZPKBJDSA,N,Ganglioside GQ1c (d18:0/16:0),JGBVSNZOIAPDIV-IZZPKBJDSA-N
HMDB11935,2420.183305155,C107H185N5O55,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C107H185N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h57-71,73-99,113-120,126-132,134-143H,8-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1",SZMGIWUOPZPSQP,VFOFNJQWSA,N,Ganglioside GQ1c (d18:0/18:0),SZMGIWUOPZPSQP-VFOFNJQWSA-N
HMDB11936,2418.167655091,C107H183N5O55,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C107H183N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h18,20,57-71,73-99,113-120,126-132,134-143H,8-17,19,21-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/b20-18-/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1",FEAPIPLPPXHHLD,GYONARKISA,N,Ganglioside GQ1c (d18:0/18:1(11Z)),FEAPIPLPPXHHLD-GYONARKISA-N
HMDB11937,2418.167655091,C107H183N5O55,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C107H183N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h22-23,57-71,73-99,113-120,126-132,134-143H,8-21,24-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/b23-22-/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1",JJBYYLTXFGMHOK,NJMTUCJSSA,N,Ganglioside GQ1c (d18:0/18:1(9Z)),JJBYYLTXFGMHOK-NJMTUCJSSA-N
HMDB11938,2448.214605283,C109H189N5O55,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C109H189N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-74(135)114-60(61(128)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)53-154-99-86(143)85(142)90(72(51-121)157-99)160-101-88(145)97(91(73(52-122)158-101)161-98-59(40-54(3)123)89(81(138)68(47-117)155-98)159-100-87(144)96(82(139)69(48-118)156-100)168-108(104(150)151)43-64(131)76(111-56(5)125)93(165-108)80(137)67(134)46-116)169-109(105(152)153)44-65(132)78(113-58(7)127)95(167-109)84(141)71(50-120)163-107(103(148)149)42-63(130)77(112-57(6)126)94(166-107)83(140)70(49-119)162-106(102(146)147)41-62(129)75(110-55(4)124)92(164-106)79(136)66(133)45-115/h59-73,75-101,115-122,128-134,136-145H,8-53H2,1-7H3,(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H,114,135)(H,146,147)(H,148,149)(H,150,151)(H,152,153)/t59-,60+,61-,62+,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80-,81+,82+,83-,84-,85-,86-,87-,88-,89-,90-,91+,92?,93?,94?,95?,96+,97-,98+,99-,100+,101+,106-,107-,108+,109+/m1/s1",VXMSRMPRWVALSI,VWFXNOPZSA,N,Ganglioside GQ1c (d18:0/20:0),VXMSRMPRWVALSI-VWFXNOPZSA-N
HMDB11939,2476.245905411,C111H193N5O55,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C111H193N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-76(137)116-62(63(130)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)55-156-101-88(145)87(144)92(74(53-123)159-101)162-103-90(147)99(93(75(54-124)160-103)163-100-61(42-56(3)125)91(83(140)70(49-119)157-100)161-102-89(146)98(84(141)71(50-120)158-102)170-110(106(152)153)45-66(133)78(113-58(5)127)95(167-110)82(139)69(136)48-118)171-111(107(154)155)46-67(134)80(115-60(7)129)97(169-111)86(143)73(52-122)165-109(105(150)151)44-65(132)79(114-59(6)128)96(168-109)85(142)72(51-121)164-108(104(148)149)43-64(131)77(112-57(4)126)94(166-108)81(138)68(135)47-117/h61-75,77-103,117-124,130-136,138-147H,8-55H2,1-7H3,(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,137)(H,148,149)(H,150,151)(H,152,153)(H,154,155)/t61-,62+,63-,64+,65+,66+,67+,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-,79-,80-,81-,82-,83+,84+,85-,86-,87-,88-,89-,90-,91-,92-,93+,94?,95?,96?,97?,98+,99-,100+,101-,102+,103+,108-,109-,110+,111+/m1/s1",WNNMZKKGAWOKSX,WJCNVEPPSA,N,Ganglioside GQ1c (d18:0/22:0),WNNMZKKGAWOKSX-WJCNVEPPSA-N
HMDB11940,2474.230255347,C111H191N5O55,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C111H191N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-76(137)116-62(63(130)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)55-156-101-88(145)87(144)92(74(53-123)159-101)162-103-90(147)99(93(75(54-124)160-103)163-100-61(42-56(3)125)91(83(140)70(49-119)157-100)161-102-89(146)98(84(141)71(50-120)158-102)170-110(106(152)153)45-66(133)78(113-58(5)127)95(167-110)82(139)69(136)48-118)171-111(107(154)155)46-67(134)80(115-60(7)129)97(169-111)86(143)73(52-122)165-109(105(150)151)44-65(132)79(114-59(6)128)96(168-109)85(142)72(51-121)164-108(104(148)149)43-64(131)77(112-57(4)126)94(166-108)81(138)68(135)47-117/h22-23,61-75,77-103,117-124,130-136,138-147H,8-21,24-55H2,1-7H3,(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,137)(H,148,149)(H,150,151)(H,152,153)(H,154,155)/b23-22-/t61-,62+,63-,64+,65+,66+,67+,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-,79-,80-,81-,82-,83+,84+,85-,86-,87-,88-,89-,90-,91-,92-,93+,94?,95?,96?,97?,98+,99-,100+,101-,102+,103+,108-,109-,110+,111+/m1/s1",BTZCBAWSUUCIIZ,OUXHULHTSA,N,Ganglioside GQ1c (d18:0/22:1(13Z)),BTZCBAWSUUCIIZ-OUXHULHTSA-N
HMDB11941,2490.261555475,C112H195N5O55,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C112H195N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-77(138)117-63(64(131)41-39-37-35-33-31-29-21-19-17-15-13-11-9-2)56-157-102-89(146)88(145)93(75(54-124)160-102)163-104-91(148)100(94(76(55-125)161-104)164-101-62(43-57(3)126)92(84(141)71(50-120)158-101)162-103-90(147)99(85(142)72(51-121)159-103)171-111(107(153)154)46-67(134)79(114-59(5)128)96(168-111)83(140)70(137)49-119)172-112(108(155)156)47-68(135)81(116-61(7)130)98(170-112)87(144)74(53-123)166-110(106(151)152)45-66(133)80(115-60(6)129)97(169-110)86(143)73(52-122)165-109(105(149)150)44-65(132)78(113-58(4)127)95(167-109)82(139)69(136)48-118/h62-76,78-104,118-125,131-137,139-148H,8-56H2,1-7H3,(H,113,127)(H,114,128)(H,115,129)(H,116,130)(H,117,138)(H,149,150)(H,151,152)(H,153,154)(H,155,156)/t62-,63+,64-,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,78-,79-,80-,81-,82-,83-,84+,85+,86-,87-,88-,89-,90-,91-,92-,93-,94+,95?,96?,97?,98?,99+,100-,101+,102-,103+,104+,109-,110-,111+,112+/m1/s1",SYWOETIEUCTYNV,UOYKXGMQSA,N,Ganglioside GQ1c (d18:0/23:0),SYWOETIEUCTYNV-UOYKXGMQSA-N
HMDB11942,2504.277205539,C113H197N5O55,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C113H197N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(139)118-64(65(132)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)57-158-103-90(147)89(146)94(76(55-125)161-103)164-105-92(149)101(95(77(56-126)162-105)165-102-63(44-58(3)127)93(85(142)72(51-121)159-102)163-104-91(148)100(86(143)73(52-122)160-104)172-112(108(154)155)47-68(135)80(115-60(5)129)97(169-112)84(141)71(138)50-120)173-113(109(156)157)48-69(136)82(117-62(7)131)99(171-113)88(145)75(54-124)167-111(107(152)153)46-67(134)81(116-61(6)130)98(170-111)87(144)74(53-123)166-110(106(150)151)45-66(133)79(114-59(4)128)96(168-110)83(140)70(137)49-119/h63-77,79-105,119-126,132-138,140-149H,8-57H2,1-7H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,139)(H,150,151)(H,152,153)(H,154,155)(H,156,157)/t63-,64+,65-,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-,81-,82-,83-,84-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96?,97?,98?,99?,100+,101-,102+,103-,104+,105+,110-,111-,112+,113+/m1/s1",HJVJENCGJIYGNN,NDBWDNBZSA,N,Ganglioside GQ1c (d18:0/24:0),HJVJENCGJIYGNN-NDBWDNBZSA-N
HMDB11943,2502.261555475,C113H195N5O55,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C113H195N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(139)118-64(65(132)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)57-158-103-90(147)89(146)94(76(55-125)161-103)164-105-92(149)101(95(77(56-126)162-105)165-102-63(44-58(3)127)93(85(142)72(51-121)159-102)163-104-91(148)100(86(143)73(52-122)160-104)172-112(108(154)155)47-68(135)80(115-60(5)129)97(169-112)84(141)71(138)50-120)173-113(109(156)157)48-69(136)82(117-62(7)131)99(171-113)88(145)75(54-124)167-111(107(152)153)46-67(134)81(116-61(6)130)98(170-111)87(144)74(53-123)166-110(106(150)151)45-66(133)79(114-59(4)128)96(168-110)83(140)70(137)49-119/h22-23,63-77,79-105,119-126,132-138,140-149H,8-21,24-57H2,1-7H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,139)(H,150,151)(H,152,153)(H,154,155)(H,156,157)/b23-22-/t63-,64+,65-,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-,81-,82-,83-,84-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96?,97?,98?,99?,100+,101-,102+,103-,104+,105+,110-,111-,112+,113+/m1/s1",BARLFLMGOSURDX,ILYRLRSYSA,N,Ganglioside GQ1c (d18:0/24:1(15Z)),BARLFLMGOSURDX-ILYRLRSYSA-N
HMDB11944,2518.292855603,C114H199N5O55,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C114H199N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-79(140)119-65(66(133)43-41-39-37-35-33-31-21-19-17-15-13-11-9-2)58-159-104-91(148)90(147)95(77(56-126)162-104)165-106-93(150)102(96(78(57-127)163-106)166-103-64(45-59(3)128)94(86(143)73(52-122)160-103)164-105-92(149)101(87(144)74(53-123)161-105)173-113(109(155)156)48-69(136)81(116-61(5)130)98(170-113)85(142)72(139)51-121)174-114(110(157)158)49-70(137)83(118-63(7)132)100(172-114)89(146)76(55-125)168-112(108(153)154)47-68(135)82(117-62(6)131)99(171-112)88(145)75(54-124)167-111(107(151)152)46-67(134)80(115-60(4)129)97(169-111)84(141)71(138)50-120/h64-78,80-106,120-127,133-139,141-150H,8-58H2,1-7H3,(H,115,129)(H,116,130)(H,117,131)(H,118,132)(H,119,140)(H,151,152)(H,153,154)(H,155,156)(H,157,158)/t64-,65+,66-,67+,68+,69+,70+,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-,82-,83-,84-,85-,86+,87+,88-,89-,90-,91-,92-,93-,94-,95-,96+,97?,98?,99?,100?,101+,102-,103+,104-,105+,106+,111-,112-,113+,114+/m1/s1",LVJYFZMFHUACMV,ZKFMYSRJSA,N,Ganglioside GQ1c (d18:0/25:0),LVJYFZMFHUACMV-ZKFMYSRJSA-N
HMDB11945,2532.308505667,C115H201N5O55,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C115H201N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-80(141)120-66(67(134)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)59-160-105-92(149)91(148)96(78(57-127)163-105)166-107-94(151)103(97(79(58-128)164-107)167-104-65(46-60(3)129)95(87(144)74(53-123)161-104)165-106-93(150)102(88(145)75(54-124)162-106)174-114(110(156)157)49-70(137)82(117-62(5)131)99(171-114)86(143)73(140)52-122)175-115(111(158)159)50-71(138)84(119-64(7)133)101(173-115)90(147)77(56-126)169-113(109(154)155)48-69(136)83(118-63(6)132)100(172-113)89(146)76(55-125)168-112(108(152)153)47-68(135)81(116-61(4)130)98(170-112)85(142)72(139)51-121/h65-79,81-107,121-128,134-140,142-151H,8-59H2,1-7H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,141)(H,152,153)(H,154,155)(H,156,157)(H,158,159)/t65-,66+,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97+,98?,99?,100?,101?,102+,103-,104+,105-,106+,107+,112-,113-,114+,115+/m1/s1",RKMKIQQJJBVECI,WAHZSMFXSA,N,Ganglioside GQ1c (d18:0/26:0),RKMKIQQJJBVECI-WAHZSMFXSA-N
HMDB11946,2530.292855603,C115H199N5O55,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C115H199N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-80(141)120-66(67(134)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)59-160-105-92(149)91(148)96(78(57-127)163-105)166-107-94(151)103(97(79(58-128)164-107)167-104-65(46-60(3)129)95(87(144)74(53-123)161-104)165-106-93(150)102(88(145)75(54-124)162-106)174-114(110(156)157)49-70(137)82(117-62(5)131)99(171-114)86(143)73(140)52-122)175-115(111(158)159)50-71(138)84(119-64(7)133)101(173-115)90(147)77(56-126)169-113(109(154)155)48-69(136)83(118-63(6)132)100(172-113)89(146)76(55-125)168-112(108(152)153)47-68(135)81(116-61(4)130)98(170-112)85(142)72(139)51-121/h22-23,65-79,81-107,121-128,134-140,142-151H,8-21,24-59H2,1-7H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,141)(H,152,153)(H,154,155)(H,156,157)(H,158,159)/b23-22-/t65-,66+,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97+,98?,99?,100?,101?,102+,103-,104+,105-,106+,107+,112-,113-,114+,115+/m1/s1",AVEFIEYMDCFNCH,XOOKDONOSA,N,Ganglioside GQ1c (d18:0/26:1(17Z)),AVEFIEYMDCFNCH-XOOKDONOSA-N
HMDB11947,2334.073754707,C101H171N5O55,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C101H171N5O55/c1-8-10-12-14-16-18-19-20-21-23-24-26-28-30-53(120)52(106-66(127)31-29-27-25-22-17-15-13-11-9-2)45-146-91-78(135)77(134)82(64(43-113)149-91)152-93-80(137)89(83(65(44-114)150-93)153-90-51(32-46(3)115)81(73(130)60(39-109)147-90)151-92-79(136)88(74(131)61(40-110)148-92)160-100(96(142)143)35-56(123)68(103-48(5)117)85(157-100)72(129)59(126)38-108)161-101(97(144)145)36-57(124)70(105-50(7)119)87(159-101)76(133)63(42-112)155-99(95(140)141)34-55(122)69(104-49(6)118)86(158-99)75(132)62(41-111)154-98(94(138)139)33-54(121)67(102-47(4)116)84(156-98)71(128)58(125)37-107/h28,30,51-65,67-93,107-114,120-126,128-137H,8-27,29,31-45H2,1-7H3,(H,102,116)(H,103,117)(H,104,118)(H,105,119)(H,106,127)(H,138,139)(H,140,141)(H,142,143)(H,144,145)/b30-28+/t51-,52+,53-,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72-,73+,74+,75-,76-,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87?,88+,89-,90+,91-,92+,93+,98-,99-,100+,101+/m1/s1",ZGPDFGRHCXLZIF,POABSNFPSA,N,Ganglioside GQ1c (d18:1/12:0),ZGPDFGRHCXLZIF-POABSNFPSA-N
HMDB11948,2362.105054835,C103H175N5O55,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C103H175N5O55/c1-8-10-12-14-16-18-20-21-23-24-26-28-30-32-55(122)54(108-68(129)33-31-29-27-25-22-19-17-15-13-11-9-2)47-148-93-80(137)79(136)84(66(45-115)151-93)154-95-82(139)91(85(67(46-116)152-95)155-92-53(34-48(3)117)83(75(132)62(41-111)149-92)153-94-81(138)90(76(133)63(42-112)150-94)162-102(98(144)145)37-58(125)70(105-50(5)119)87(159-102)74(131)61(128)40-110)163-103(99(146)147)38-59(126)72(107-52(7)121)89(161-103)78(135)65(44-114)157-101(97(142)143)36-57(124)71(106-51(6)120)88(160-101)77(134)64(43-113)156-100(96(140)141)35-56(123)69(104-49(4)118)86(158-100)73(130)60(127)39-109/h30,32,53-67,69-95,109-116,122-128,130-139H,8-29,31,33-47H2,1-7H3,(H,104,118)(H,105,119)(H,106,120)(H,107,121)(H,108,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)/b32-30+/t53-,54+,55-,56+,57+,58+,59+,60-,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74-,75+,76+,77-,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89?,90+,91-,92+,93-,94+,95+,100-,101-,102+,103+/m1/s1",PUCYGCLZNTWDHA,JSVSWJNXSA,N,Ganglioside GQ1c (d18:1/14:0),PUCYGCLZNTWDHA-JSVSWJNXSA-N
HMDB11949,2390.136354963,C105H179N5O55,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C105H179N5O55/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-57(124)56(110-70(131)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)49-150-95-82(139)81(138)86(68(47-117)153-95)156-97-84(141)93(87(69(48-118)154-97)157-94-55(36-50(3)119)85(77(134)64(43-113)151-94)155-96-83(140)92(78(135)65(44-114)152-96)164-104(100(146)147)39-60(127)72(107-52(5)121)89(161-104)76(133)63(130)42-112)165-105(101(148)149)40-61(128)74(109-54(7)123)91(163-105)80(137)67(46-116)159-103(99(144)145)38-59(126)73(108-53(6)122)90(162-103)79(136)66(45-115)158-102(98(142)143)37-58(125)71(106-51(4)120)88(160-102)75(132)62(129)41-111/h32,34,55-69,71-97,111-118,124-130,132-141H,8-31,33,35-49H2,1-7H3,(H,106,120)(H,107,121)(H,108,122)(H,109,123)(H,110,131)(H,142,143)(H,144,145)(H,146,147)(H,148,149)/b34-32+/t55-,56+,57-,58+,59+,60+,61+,62-,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91?,92+,93-,94+,95-,96+,97+,102-,103-,104+,105+/m1/s1",FDXGDZUSPYPDEG,VPQBDDDGSA,N,Ganglioside GQ1c (d18:1/16:0),FDXGDZUSPYPDEG-VPQBDDDGSA-N
HMDB11950,2418.167655091,C107H183N5O55,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C107H183N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h34,36,57-71,73-99,113-120,126-132,134-143H,8-33,35,37-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/b36-34+/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1",BITZGAGOHCTQMK,KNSFWQNXSA,N,Ganglioside GQ1c (d18:1/18:0),BITZGAGOHCTQMK-KNSFWQNXSA-N
HMDB11951,2416.152005027,C107H181N5O55,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C107H181N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h18,20,34,36,57-71,73-99,113-120,126-132,134-143H,8-17,19,21-33,35,37-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/b20-18-,36-34+/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1",OIQDHZKSBJYFLC,ULIFKOQUSA,N,Ganglioside GQ1c (d18:1/18:1(11Z)),OIQDHZKSBJYFLC-ULIFKOQUSA-N
HMDB11952,2416.152005027,C107H181N5O55,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C107H181N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h22-23,34,36,57-71,73-99,113-120,126-132,134-143H,8-21,24-33,35,37-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/b23-22-,36-34+/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1",GEPUWRLCEOWUON,ZVNODXKXSA,N,Ganglioside GQ1c (d18:1/18:1(9Z)),GEPUWRLCEOWUON-ZVNODXKXSA-N
HMDB11953,2446.198955219,C109H187N5O55,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C109H187N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-74(135)114-60(61(128)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)53-154-99-86(143)85(142)90(72(51-121)157-99)160-101-88(145)97(91(73(52-122)158-101)161-98-59(40-54(3)123)89(81(138)68(47-117)155-98)159-100-87(144)96(82(139)69(48-118)156-100)168-108(104(150)151)43-64(131)76(111-56(5)125)93(165-108)80(137)67(134)46-116)169-109(105(152)153)44-65(132)78(113-58(7)127)95(167-109)84(141)71(50-120)163-107(103(148)149)42-63(130)77(112-57(6)126)94(166-107)83(140)70(49-119)162-106(102(146)147)41-62(129)75(110-55(4)124)92(164-106)79(136)66(133)45-115/h36,38,59-73,75-101,115-122,128-134,136-145H,8-35,37,39-53H2,1-7H3,(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H,114,135)(H,146,147)(H,148,149)(H,150,151)(H,152,153)/b38-36+/t59-,60+,61-,62+,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80-,81+,82+,83-,84-,85-,86-,87-,88-,89-,90-,91+,92?,93?,94?,95?,96+,97-,98+,99-,100+,101+,106-,107-,108+,109+/m1/s1",RWEKXNHIQHNUFY,QYIRSSOTSA,N,Ganglioside GQ1c (d18:1/20:0),RWEKXNHIQHNUFY-QYIRSSOTSA-N
HMDB11954,2474.230255347,C111H191N5O55,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C111H191N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-76(137)116-62(63(130)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)55-156-101-88(145)87(144)92(74(53-123)159-101)162-103-90(147)99(93(75(54-124)160-103)163-100-61(42-56(3)125)91(83(140)70(49-119)157-100)161-102-89(146)98(84(141)71(50-120)158-102)170-110(106(152)153)45-66(133)78(113-58(5)127)95(167-110)82(139)69(136)48-118)171-111(107(154)155)46-67(134)80(115-60(7)129)97(169-111)86(143)73(52-122)165-109(105(150)151)44-65(132)79(114-59(6)128)96(168-109)85(142)72(51-121)164-108(104(148)149)43-64(131)77(112-57(4)126)94(166-108)81(138)68(135)47-117/h38,40,61-75,77-103,117-124,130-136,138-147H,8-37,39,41-55H2,1-7H3,(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,137)(H,148,149)(H,150,151)(H,152,153)(H,154,155)/b40-38+/t61-,62+,63-,64+,65+,66+,67+,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-,79-,80-,81-,82-,83+,84+,85-,86-,87-,88-,89-,90-,91-,92-,93+,94?,95?,96?,97?,98+,99-,100+,101-,102+,103+,108-,109-,110+,111+/m1/s1",DHVDGKFMTMROIY,XZDNISQZSA,N,Ganglioside GQ1c (d18:1/22:0),DHVDGKFMTMROIY-XZDNISQZSA-N
HMDB11955,2472.214605283,C111H189N5O55,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C111H189N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-76(137)116-62(63(130)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)55-156-101-88(145)87(144)92(74(53-123)159-101)162-103-90(147)99(93(75(54-124)160-103)163-100-61(42-56(3)125)91(83(140)70(49-119)157-100)161-102-89(146)98(84(141)71(50-120)158-102)170-110(106(152)153)45-66(133)78(113-58(5)127)95(167-110)82(139)69(136)48-118)171-111(107(154)155)46-67(134)80(115-60(7)129)97(169-111)86(143)73(52-122)165-109(105(150)151)44-65(132)79(114-59(6)128)96(168-109)85(142)72(51-121)164-108(104(148)149)43-64(131)77(112-57(4)126)94(166-108)81(138)68(135)47-117/h22-23,38,40,61-75,77-103,117-124,130-136,138-147H,8-21,24-37,39,41-55H2,1-7H3,(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,137)(H,148,149)(H,150,151)(H,152,153)(H,154,155)/b23-22-,40-38+/t61-,62+,63-,64+,65+,66+,67+,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-,79-,80-,81-,82-,83+,84+,85-,86-,87-,88-,89-,90-,91-,92-,93+,94?,95?,96?,97?,98+,99-,100+,101-,102+,103+,108-,109-,110+,111+/m1/s1",CIDVSSPVUACBLX,RVZIFYTFSA,N,Ganglioside GQ1c (d18:1/22:1(13Z)),CIDVSSPVUACBLX-RVZIFYTFSA-N
HMDB11956,2488.245905411,C112H193N5O55,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C112H193N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-77(138)117-63(64(131)41-39-37-35-33-31-29-21-19-17-15-13-11-9-2)56-157-102-89(146)88(145)93(75(54-124)160-102)163-104-91(148)100(94(76(55-125)161-104)164-101-62(43-57(3)126)92(84(141)71(50-120)158-101)162-103-90(147)99(85(142)72(51-121)159-103)171-111(107(153)154)46-67(134)79(114-59(5)128)96(168-111)83(140)70(137)49-119)172-112(108(155)156)47-68(135)81(116-61(7)130)98(170-112)87(144)74(53-123)166-110(106(151)152)45-66(133)80(115-60(6)129)97(169-110)86(143)73(52-122)165-109(105(149)150)44-65(132)78(113-58(4)127)95(167-109)82(139)69(136)48-118/h39,41,62-76,78-104,118-125,131-137,139-148H,8-38,40,42-56H2,1-7H3,(H,113,127)(H,114,128)(H,115,129)(H,116,130)(H,117,138)(H,149,150)(H,151,152)(H,153,154)(H,155,156)/b41-39+/t62-,63+,64-,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,78-,79-,80-,81-,82-,83-,84+,85+,86-,87-,88-,89-,90-,91-,92-,93-,94+,95?,96?,97?,98?,99+,100-,101+,102-,103+,104+,109-,110-,111+,112+/m1/s1",HQUFSSGOJGBUTC,CJGWRXJFSA,N,Ganglioside GQ1c (d18:1/23:0),HQUFSSGOJGBUTC-CJGWRXJFSA-N
HMDB11957,2502.261555475,C113H195N5O55,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C113H195N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(139)118-64(65(132)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)57-158-103-90(147)89(146)94(76(55-125)161-103)164-105-92(149)101(95(77(56-126)162-105)165-102-63(44-58(3)127)93(85(142)72(51-121)159-102)163-104-91(148)100(86(143)73(52-122)160-104)172-112(108(154)155)47-68(135)80(115-60(5)129)97(169-112)84(141)71(138)50-120)173-113(109(156)157)48-69(136)82(117-62(7)131)99(171-113)88(145)75(54-124)167-111(107(152)153)46-67(134)81(116-61(6)130)98(170-111)87(144)74(53-123)166-110(106(150)151)45-66(133)79(114-59(4)128)96(168-110)83(140)70(137)49-119/h40,42,63-77,79-105,119-126,132-138,140-149H,8-39,41,43-57H2,1-7H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,139)(H,150,151)(H,152,153)(H,154,155)(H,156,157)/b42-40+/t63-,64+,65-,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-,81-,82-,83-,84-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96?,97?,98?,99?,100+,101-,102+,103-,104+,105+,110-,111-,112+,113+/m1/s1",YWYYKNFHNZAISF,FUWJUTIGSA,N,Ganglioside GQ1c (d18:1/24:0),YWYYKNFHNZAISF-FUWJUTIGSA-N
HMDB11958,2500.245905411,C113H193N5O55,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C113H193N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(139)118-64(65(132)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)57-158-103-90(147)89(146)94(76(55-125)161-103)164-105-92(149)101(95(77(56-126)162-105)165-102-63(44-58(3)127)93(85(142)72(51-121)159-102)163-104-91(148)100(86(143)73(52-122)160-104)172-112(108(154)155)47-68(135)80(115-60(5)129)97(169-112)84(141)71(138)50-120)173-113(109(156)157)48-69(136)82(117-62(7)131)99(171-113)88(145)75(54-124)167-111(107(152)153)46-67(134)81(116-61(6)130)98(170-111)87(144)74(53-123)166-110(106(150)151)45-66(133)79(114-59(4)128)96(168-110)83(140)70(137)49-119/h22-23,40,42,63-77,79-105,119-126,132-138,140-149H,8-21,24-39,41,43-57H2,1-7H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,139)(H,150,151)(H,152,153)(H,154,155)(H,156,157)/b23-22-,42-40+/t63-,64+,65-,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-,81-,82-,83-,84-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96?,97?,98?,99?,100+,101-,102+,103-,104+,105+,110-,111-,112+,113+/m1/s1",TXMPPKHRKYDPIW,NIOXSAECSA,N,Ganglioside GQ1c (d18:1/24:1(15Z)),TXMPPKHRKYDPIW-NIOXSAECSA-N
HMDB11959,2516.277205539,C114H197N5O55,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C114H197N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-79(140)119-65(66(133)43-41-39-37-35-33-31-21-19-17-15-13-11-9-2)58-159-104-91(148)90(147)95(77(56-126)162-104)165-106-93(150)102(96(78(57-127)163-106)166-103-64(45-59(3)128)94(86(143)73(52-122)160-103)164-105-92(149)101(87(144)74(53-123)161-105)173-113(109(155)156)48-69(136)81(116-61(5)130)98(170-113)85(142)72(139)51-121)174-114(110(157)158)49-70(137)83(118-63(7)132)100(172-114)89(146)76(55-125)168-112(108(153)154)47-68(135)82(117-62(6)131)99(171-112)88(145)75(54-124)167-111(107(151)152)46-67(134)80(115-60(4)129)97(169-111)84(141)71(138)50-120/h41,43,64-78,80-106,120-127,133-139,141-150H,8-40,42,44-58H2,1-7H3,(H,115,129)(H,116,130)(H,117,131)(H,118,132)(H,119,140)(H,151,152)(H,153,154)(H,155,156)(H,157,158)/b43-41+/t64-,65+,66-,67+,68+,69+,70+,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-,82-,83-,84-,85-,86+,87+,88-,89-,90-,91-,92-,93-,94-,95-,96+,97?,98?,99?,100?,101+,102-,103+,104-,105+,106+,111-,112-,113+,114+/m1/s1",IIPPHUMDVWEWJA,XSJLOJCVSA,N,Ganglioside GQ1c (d18:1/25:0),IIPPHUMDVWEWJA-XSJLOJCVSA-N
HMDB11960,2530.292855603,C115H199N5O55,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C115H199N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-80(141)120-66(67(134)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)59-160-105-92(149)91(148)96(78(57-127)163-105)166-107-94(151)103(97(79(58-128)164-107)167-104-65(46-60(3)129)95(87(144)74(53-123)161-104)165-106-93(150)102(88(145)75(54-124)162-106)174-114(110(156)157)49-70(137)82(117-62(5)131)99(171-114)86(143)73(140)52-122)175-115(111(158)159)50-71(138)84(119-64(7)133)101(173-115)90(147)77(56-126)169-113(109(154)155)48-69(136)83(118-63(6)132)100(172-113)89(146)76(55-125)168-112(108(152)153)47-68(135)81(116-61(4)130)98(170-112)85(142)72(139)51-121/h42,44,65-79,81-107,121-128,134-140,142-151H,8-41,43,45-59H2,1-7H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,141)(H,152,153)(H,154,155)(H,156,157)(H,158,159)/b44-42+/t65-,66+,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97+,98?,99?,100?,101?,102+,103-,104+,105-,106+,107+,112-,113-,114+,115+/m1/s1",MRMOLQSJSJISNF,WIHPQNJESA,N,Ganglioside GQ1c (d18:1/26:0),MRMOLQSJSJISNF-WIHPQNJESA-N
HMDB11961,2528.277205539,C115H197N5O55,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C115H197N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-80(141)120-66(67(134)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)59-160-105-92(149)91(148)96(78(57-127)163-105)166-107-94(151)103(97(79(58-128)164-107)167-104-65(46-60(3)129)95(87(144)74(53-123)161-104)165-106-93(150)102(88(145)75(54-124)162-106)174-114(110(156)157)49-70(137)82(117-62(5)131)99(171-114)86(143)73(140)52-122)175-115(111(158)159)50-71(138)84(119-64(7)133)101(173-115)90(147)77(56-126)169-113(109(154)155)48-69(136)83(118-63(6)132)100(172-113)89(146)76(55-125)168-112(108(152)153)47-68(135)81(116-61(4)130)98(170-112)85(142)72(139)51-121/h22-23,42,44,65-79,81-107,121-128,134-140,142-151H,8-21,24-41,43,45-59H2,1-7H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,141)(H,152,153)(H,154,155)(H,156,157)(H,158,159)/b23-22-,44-42+/t65-,66+,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97+,98?,99?,100?,101?,102+,103-,104+,105-,106+,107+,112-,113-,114+,115+/m1/s1",PCICGYBIBGIYRA,IUWLHXSCSA,N,Ganglioside GQ1c (d18:1/26:1(17Z)),PCICGYBIBGIYRA-IUWLHXSCSA-N
HMDB11962,2044.993988246,C90H156N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C90H156N4O47/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-49(106)48(94-60(112)30-28-26-24-21-16-14-12-10-8-2)42-128-82-70(119)69(118)74(58(40-100)131-82)134-84-72(121)80(141-90(87(126)127)34-52(109)63(93-46(6)105)78(139-90)68(117)57(39-99)136-88(85(122)123)32-50(107)61(91-44(4)103)76(137-88)64(113)53(110)35-95)75(59(41-101)132-84)135-81-47(31-43(3)102)73(66(115)55(37-97)129-81)133-83-71(120)79(67(116)56(38-98)130-83)140-89(86(124)125)33-51(108)62(92-45(5)104)77(138-89)65(114)54(111)36-96/h47-59,61-84,95-101,106-111,113-121H,7-42H2,1-6H3,(H,91,103)(H,92,104)(H,93,105)(H,94,112)(H,122,123)(H,124,125)(H,126,127)/t47-,48+,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66+,67+,68-,69-,70-,71-,72-,73-,74-,75+,76?,77?,78?,79+,80-,81+,82-,83+,84+,88-,89+,90+/m1/s1",KVAWQOQNWXVEJE,RWNAXQEVSA,N,Ganglioside GT1b (d18:0/12:0),KVAWQOQNWXVEJE-RWNAXQEVSA-N
HMDB11963,2073.025288374,C92H160N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C92H160N4O47/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-51(108)50(96-62(114)32-30-28-26-24-21-18-16-14-12-10-8-2)44-130-84-72(121)71(120)76(60(42-102)133-84)136-86-74(123)82(143-92(89(128)129)36-54(111)65(95-48(6)107)80(141-92)70(119)59(41-101)138-90(87(124)125)34-52(109)63(93-46(4)105)78(139-90)66(115)55(112)37-97)77(61(43-103)134-86)137-83-49(33-45(3)104)75(68(117)57(39-99)131-83)135-85-73(122)81(69(118)58(40-100)132-85)142-91(88(126)127)35-53(110)64(94-47(5)106)79(140-91)67(116)56(113)38-98/h49-61,63-86,97-103,108-113,115-123H,7-44H2,1-6H3,(H,93,105)(H,94,106)(H,95,107)(H,96,114)(H,124,125)(H,126,127)(H,128,129)/t49-,50+,51-,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67-,68+,69+,70-,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81+,82-,83+,84-,85+,86+,90-,91+,92+/m1/s1",WMXIROHNLYFMEP,FSERSMBBSA,N,Ganglioside GT1b (d18:0/14:0),WMXIROHNLYFMEP-FSERSMBBSA-N
HMDB11964,2101.056588502,C94H164N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C94H164N4O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(110)52(98-64(116)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)46-132-86-74(123)73(122)78(62(44-104)135-86)138-88-76(125)84(145-94(91(130)131)38-56(113)67(97-50(6)109)82(143-94)72(121)61(43-103)140-92(89(126)127)36-54(111)65(95-48(4)107)80(141-92)68(117)57(114)39-99)79(63(45-105)136-88)139-85-51(35-47(3)106)77(70(119)59(41-101)133-85)137-87-75(124)83(71(120)60(42-102)134-87)144-93(90(128)129)37-55(112)66(96-49(5)108)81(142-93)69(118)58(115)40-100/h51-63,65-88,99-105,110-115,117-125H,7-46H2,1-6H3,(H,95,107)(H,96,108)(H,97,109)(H,98,116)(H,126,127)(H,128,129)(H,130,131)/t51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71+,72-,73-,74-,75-,76-,77-,78-,79+,80?,81?,82?,83+,84-,85+,86-,87+,88+,92-,93+,94+/m1/s1",CAUMPXVYVMAYRQ,AWKZXDPKSA,N,Ganglioside GT1b (d18:0/16:0),CAUMPXVYVMAYRQ-AWKZXDPKSA-N
HMDB11965,2129.08788863,C96H168N4O47,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C96H168N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h53-65,67-90,101-107,112-117,119-127H,7-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1",JBFWMELKDTZMHB,GZJTVDNLSA,N,Ganglioside GT1b (d18:0/18:0),JBFWMELKDTZMHB-GZJTVDNLSA-N
HMDB11966,2127.072238566,C96H166N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h17,19,53-65,67-90,101-107,112-117,119-127H,7-16,18,20-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b19-17-/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1",BIFFYSBTZUHUGO,LNUWOIRFSA,N,Ganglioside GT1b (d18:0/18:1(11Z)),BIFFYSBTZUHUGO-LNUWOIRFSA-N
HMDB11967,2127.072238566,C96H166N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h21-22,53-65,67-90,101-107,112-117,119-127H,7-20,23-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b22-21-/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1",YLQHPBOIJMZMMH,FFONIJNOSA,N,Ganglioside GT1b (d18:0/18:1(9Z)),YLQHPBOIJMZMMH-FFONIJNOSA-N
HMDB11968,2157.119188758,C98H172N4O47,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C98H172N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-68(120)102-56(57(114)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)50-136-90-78(127)77(126)82(66(48-108)139-90)142-92-80(129)88(149-98(95(134)135)42-60(117)71(101-54(6)113)86(147-98)76(125)65(47-107)144-96(93(130)131)40-58(115)69(99-52(4)111)84(145-96)72(121)61(118)43-103)83(67(49-109)140-92)143-89-55(39-51(3)110)81(74(123)63(45-105)137-89)141-91-79(128)87(75(124)64(46-106)138-91)148-97(94(132)133)41-59(116)70(100-53(5)112)85(146-97)73(122)62(119)44-104/h55-67,69-92,103-109,114-119,121-129H,7-50H2,1-6H3,(H,99,111)(H,100,112)(H,101,113)(H,102,120)(H,130,131)(H,132,133)(H,134,135)/t55-,56+,57-,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75+,76-,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87+,88-,89+,90-,91+,92+,96-,97+,98+/m1/s1",SDFCIPGOAFIMPG,VLTFPFDUSA,N,Ganglioside GT1b (d18:0/20:0),SDFCIPGOAFIMPG-VLTFPFDUSA-N
HMDB11969,2185.150488886,C100H176N4O47,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C100H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(122)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-80(129)79(128)84(68(50-110)141-92)144-94-82(131)90(151-100(97(136)137)44-62(119)73(103-56(6)115)88(149-100)78(127)67(49-109)146-98(95(132)133)42-60(117)71(101-54(4)113)86(147-98)74(123)63(120)45-105)85(69(51-111)142-94)145-91-57(41-53(3)112)83(76(125)65(47-107)139-91)143-93-81(130)89(77(126)66(48-108)140-93)150-99(96(134)135)43-61(118)72(102-55(5)114)87(148-99)75(124)64(121)46-106/h57-69,71-94,105-111,116-121,123-131H,7-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,122)(H,132,133)(H,134,135)(H,136,137)/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77+,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89+,90-,91+,92-,93+,94+,98-,99+,100+/m1/s1",DQLFSPTTZDKYLR,ZMWQKXGOSA,N,Ganglioside GT1b (d18:0/22:0),DQLFSPTTZDKYLR-ZMWQKXGOSA-N
HMDB11970,2183.134838822,C100H174N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C100H174N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(122)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-80(129)79(128)84(68(50-110)141-92)144-94-82(131)90(151-100(97(136)137)44-62(119)73(103-56(6)115)88(149-100)78(127)67(49-109)146-98(95(132)133)42-60(117)71(101-54(4)113)86(147-98)74(123)63(120)45-105)85(69(51-111)142-94)145-91-57(41-53(3)112)83(76(125)65(47-107)139-91)143-93-81(130)89(77(126)66(48-108)140-93)150-99(96(134)135)43-61(118)72(102-55(5)114)87(148-99)75(124)64(121)46-106/h21-22,57-69,71-94,105-111,116-121,123-131H,7-20,23-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,122)(H,132,133)(H,134,135)(H,136,137)/b22-21-/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77+,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89+,90-,91+,92-,93+,94+,98-,99+,100+/m1/s1",ZVXBDHSZYGKMPH,XIUCXQKASA,N,Ganglioside GT1b (d18:0/22:1(13Z)),ZVXBDHSZYGKMPH-XIUCXQKASA-N
HMDB11971,2199.16613895,C101H178N4O47,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C101H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-71(123)105-59(60(117)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)53-139-93-81(130)80(129)85(69(51-111)142-93)145-95-83(132)91(152-101(98(137)138)45-63(120)74(104-57(6)116)89(150-101)79(128)68(50-110)147-99(96(133)134)43-61(118)72(102-55(4)114)87(148-99)75(124)64(121)46-106)86(70(52-112)143-95)146-92-58(42-54(3)113)84(77(126)66(48-108)140-92)144-94-82(131)90(78(127)67(49-109)141-94)151-100(97(135)136)44-62(119)73(103-56(5)115)88(149-100)76(125)65(122)47-107/h58-70,72-95,106-112,117-122,124-132H,7-53H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,123)(H,133,134)(H,135,136)(H,137,138)/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90+,91-,92+,93-,94+,95+,99-,100+,101+/m1/s1",ZYVWBKWDMQJPLL,GEPFCUMRSA,N,Ganglioside GT1b (d18:0/23:0),ZYVWBKWDMQJPLL-GEPFCUMRSA-N
HMDB11972,2213.181789014,C102H180N4O47,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C102H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(124)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-82(131)81(130)86(70(52-112)143-94)146-96-84(133)92(153-102(99(138)139)46-64(121)75(105-58(6)117)90(151-102)80(129)69(51-111)148-100(97(134)135)44-62(119)73(103-56(4)115)88(149-100)76(125)65(122)47-107)87(71(53-113)144-96)147-93-59(43-55(3)114)85(78(127)67(49-109)141-93)145-95-83(132)91(79(128)68(50-110)142-95)152-101(98(136)137)45-63(120)74(104-57(5)116)89(150-101)77(126)66(123)48-108/h59-71,73-96,107-113,118-123,125-133H,7-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,124)(H,134,135)(H,136,137)(H,138,139)/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79+,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91+,92-,93+,94-,95+,96+,100-,101+,102+/m1/s1",RXWJTMZFFSEFGQ,COOPMRMFSA,N,Ganglioside GT1b (d18:0/24:0),RXWJTMZFFSEFGQ-COOPMRMFSA-N
HMDB11973,2211.16613895,C102H178N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C102H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(124)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-82(131)81(130)86(70(52-112)143-94)146-96-84(133)92(153-102(99(138)139)46-64(121)75(105-58(6)117)90(151-102)80(129)69(51-111)148-100(97(134)135)44-62(119)73(103-56(4)115)88(149-100)76(125)65(122)47-107)87(71(53-113)144-96)147-93-59(43-55(3)114)85(78(127)67(49-109)141-93)145-95-83(132)91(79(128)68(50-110)142-95)152-101(98(136)137)45-63(120)74(104-57(5)116)89(150-101)77(126)66(123)48-108/h21-22,59-71,73-96,107-113,118-123,125-133H,7-20,23-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,124)(H,134,135)(H,136,137)(H,138,139)/b22-21-/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79+,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91+,92-,93+,94-,95+,96+,100-,101+,102+/m1/s1",RCCVWQHFEBKVDQ,UMVIONLXSA,N,Ganglioside GT1b (d18:0/24:1(15Z)),RCCVWQHFEBKVDQ-UMVIONLXSA-N
HMDB11974,2227.197439078,C103H182N4O47,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C103H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-73(125)107-61(62(119)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)55-141-95-83(132)82(131)87(71(53-113)144-95)147-97-85(134)93(154-103(100(139)140)47-65(122)76(106-59(6)118)91(152-103)81(130)70(52-112)149-101(98(135)136)45-63(120)74(104-57(4)116)89(150-101)77(126)66(123)48-108)88(72(54-114)145-97)148-94-60(44-56(3)115)86(79(128)68(50-110)142-94)146-96-84(133)92(80(129)69(51-111)143-96)153-102(99(137)138)46-64(121)75(105-58(5)117)90(151-102)78(127)67(124)49-109/h60-72,74-97,108-114,119-124,126-134H,7-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,125)(H,135,136)(H,137,138)(H,139,140)/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92+,93-,94+,95-,96+,97+,101-,102+,103+/m1/s1",DVUKLBZZEFOHTI,PPOXVLJDSA,N,Ganglioside GT1b (d18:0/25:0),DVUKLBZZEFOHTI-PPOXVLJDSA-N
HMDB11975,2241.213089142,C104H184N4O47,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C104H184N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(126)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-84(133)83(132)88(72(54-114)145-96)148-98-86(135)94(155-104(101(140)141)48-66(123)77(107-60(6)119)92(153-104)82(131)71(53-113)150-102(99(136)137)46-64(121)75(105-58(4)117)90(151-102)78(127)67(124)49-109)89(73(55-115)146-98)149-95-61(45-57(3)116)87(80(129)69(51-111)143-95)147-97-85(134)93(81(130)70(52-112)144-97)154-103(100(138)139)47-65(122)76(106-59(5)118)91(152-103)79(128)68(125)50-110/h61-73,75-98,109-115,120-125,127-135H,7-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,126)(H,136,137)(H,138,139)(H,140,141)/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80+,81+,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93+,94-,95+,96-,97+,98+,102-,103+,104+/m1/s1",FXUXPQMJHIBGHT,RUYNZECFSA,N,Ganglioside GT1b (d18:0/26:0),FXUXPQMJHIBGHT-RUYNZECFSA-N
HMDB11976,2239.197439078,C104H182N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C104H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(126)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-84(133)83(132)88(72(54-114)145-96)148-98-86(135)94(155-104(101(140)141)48-66(123)77(107-60(6)119)92(153-104)82(131)71(53-113)150-102(99(136)137)46-64(121)75(105-58(4)117)90(151-102)78(127)67(124)49-109)89(73(55-115)146-98)149-95-61(45-57(3)116)87(80(129)69(51-111)143-95)147-97-85(134)93(81(130)70(52-112)144-97)154-103(100(138)139)47-65(122)76(106-59(5)118)91(152-103)79(128)68(125)50-110/h21-22,61-73,75-98,109-115,120-125,127-135H,7-20,23-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,126)(H,136,137)(H,138,139)(H,140,141)/b22-21-/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80+,81+,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93+,94-,95+,96-,97+,98+,102-,103+,104+/m1/s1",PAFLFFXYQZIXGP,JLUASTOASA,N,Ganglioside GT1b (d18:0/26:1(17Z)),PAFLFFXYQZIXGP-JLUASTOASA-N
HMDB11977,2042.978338182,C90H154N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C90H154N4O47/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-49(106)48(94-60(112)30-28-26-24-21-16-14-12-10-8-2)42-128-82-70(119)69(118)74(58(40-100)131-82)134-84-72(121)80(141-90(87(126)127)34-52(109)63(93-46(6)105)78(139-90)68(117)57(39-99)136-88(85(122)123)32-50(107)61(91-44(4)103)76(137-88)64(113)53(110)35-95)75(59(41-101)132-84)135-81-47(31-43(3)102)73(66(115)55(37-97)129-81)133-83-71(120)79(67(116)56(38-98)130-83)140-89(86(124)125)33-51(108)62(92-45(5)104)77(138-89)65(114)54(111)36-96/h27,29,47-59,61-84,95-101,106-111,113-121H,7-26,28,30-42H2,1-6H3,(H,91,103)(H,92,104)(H,93,105)(H,94,112)(H,122,123)(H,124,125)(H,126,127)/b29-27+/t47-,48+,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66+,67+,68-,69-,70-,71-,72-,73-,74-,75+,76?,77?,78?,79+,80-,81+,82-,83+,84+,88-,89+,90+/m1/s1",ACCBJOPUSBTZKZ,XKNNDQPFSA,N,Ganglioside GT1b (d18:1/12:0),ACCBJOPUSBTZKZ-XKNNDQPFSA-N
HMDB11978,2071.00963831,C92H158N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C92H158N4O47/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-51(108)50(96-62(114)32-30-28-26-24-21-18-16-14-12-10-8-2)44-130-84-72(121)71(120)76(60(42-102)133-84)136-86-74(123)82(143-92(89(128)129)36-54(111)65(95-48(6)107)80(141-92)70(119)59(41-101)138-90(87(124)125)34-52(109)63(93-46(4)105)78(139-90)66(115)55(112)37-97)77(61(43-103)134-86)137-83-49(33-45(3)104)75(68(117)57(39-99)131-83)135-85-73(122)81(69(118)58(40-100)132-85)142-91(88(126)127)35-53(110)64(94-47(5)106)79(140-91)67(116)56(113)38-98/h29,31,49-61,63-86,97-103,108-113,115-123H,7-28,30,32-44H2,1-6H3,(H,93,105)(H,94,106)(H,95,107)(H,96,114)(H,124,125)(H,126,127)(H,128,129)/b31-29+/t49-,50+,51-,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67-,68+,69+,70-,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81+,82-,83+,84-,85+,86+,90-,91+,92+/m1/s1",NFGNPIPTXSVTHU,HAPCLDASSA,N,Ganglioside GT1b (d18:1/14:0),NFGNPIPTXSVTHU-HAPCLDASSA-N
HMDB11979,2099.040938438,C94H162N4O47,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C94H162N4O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(110)52(98-64(116)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)46-132-86-74(123)73(122)78(62(44-104)135-86)138-88-76(125)84(145-94(91(130)131)38-56(113)67(97-50(6)109)82(143-94)72(121)61(43-103)140-92(89(126)127)36-54(111)65(95-48(4)107)80(141-92)68(117)57(114)39-99)79(63(45-105)136-88)139-85-51(35-47(3)106)77(70(119)59(41-101)133-85)137-87-75(124)83(71(120)60(42-102)134-87)144-93(90(128)129)37-55(112)66(96-49(5)108)81(142-93)69(118)58(115)40-100/h31,33,51-63,65-88,99-105,110-115,117-125H,7-30,32,34-46H2,1-6H3,(H,95,107)(H,96,108)(H,97,109)(H,98,116)(H,126,127)(H,128,129)(H,130,131)/b33-31+/t51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71+,72-,73-,74-,75-,76-,77-,78-,79+,80?,81?,82?,83+,84-,85+,86-,87+,88+,92-,93+,94+/m1/s1",KHAIKXXVGYNNAC,KXQHUFPQSA,N,Ganglioside GT1b (d18:1/16:0),KHAIKXXVGYNNAC-KXQHUFPQSA-N
HMDB11980,2127.072238566,C96H166N4O47,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h33,35,53-65,67-90,101-107,112-117,119-127H,7-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1",PSTQKOVMQKXKHN,JONIMBKUSA,N,Ganglioside GT1b (d18:1/18:0),PSTQKOVMQKXKHN-JONIMBKUSA-N
HMDB11981,2125.056588502,C96H164N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C96H164N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h17,19,33,35,53-65,67-90,101-107,112-117,119-127H,7-16,18,20-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b19-17-,35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1",NKBPMMKRELBZCV,NTZCPLOZSA,N,Ganglioside GT1b (d18:1/18:1(11Z)),NKBPMMKRELBZCV-NTZCPLOZSA-N
HMDB11982,2125.056588502,C96H164N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C96H164N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h21-22,33,35,53-65,67-90,101-107,112-117,119-127H,7-20,23-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b22-21-,35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1",VILKXFOZJJUSRL,HXVLEDIZSA,N,Ganglioside GT1b (d18:1/18:1(9Z)),VILKXFOZJJUSRL-HXVLEDIZSA-N
HMDB11983,2155.103538694,C98H170N4O47,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C98H170N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-68(120)102-56(57(114)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)50-136-90-78(127)77(126)82(66(48-108)139-90)142-92-80(129)88(149-98(95(134)135)42-60(117)71(101-54(6)113)86(147-98)76(125)65(47-107)144-96(93(130)131)40-58(115)69(99-52(4)111)84(145-96)72(121)61(118)43-103)83(67(49-109)140-92)143-89-55(39-51(3)110)81(74(123)63(45-105)137-89)141-91-79(128)87(75(124)64(46-106)138-91)148-97(94(132)133)41-59(116)70(100-53(5)112)85(146-97)73(122)62(119)44-104/h35,37,55-67,69-92,103-109,114-119,121-129H,7-34,36,38-50H2,1-6H3,(H,99,111)(H,100,112)(H,101,113)(H,102,120)(H,130,131)(H,132,133)(H,134,135)/b37-35+/t55-,56+,57-,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75+,76-,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87+,88-,89+,90-,91+,92+,96-,97+,98+/m1/s1",SUCXWFQEQMKKJX,FUAANAIRSA,N,Ganglioside GT1b (d18:1/20:0),SUCXWFQEQMKKJX-FUAANAIRSA-N
HMDB11984,2183.134838822,C100H174N4O47,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C100H174N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(122)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-80(129)79(128)84(68(50-110)141-92)144-94-82(131)90(151-100(97(136)137)44-62(119)73(103-56(6)115)88(149-100)78(127)67(49-109)146-98(95(132)133)42-60(117)71(101-54(4)113)86(147-98)74(123)63(120)45-105)85(69(51-111)142-94)145-91-57(41-53(3)112)83(76(125)65(47-107)139-91)143-93-81(130)89(77(126)66(48-108)140-93)150-99(96(134)135)43-61(118)72(102-55(5)114)87(148-99)75(124)64(121)46-106/h37,39,57-69,71-94,105-111,116-121,123-131H,7-36,38,40-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,122)(H,132,133)(H,134,135)(H,136,137)/b39-37+/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77+,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89+,90-,91+,92-,93+,94+,98-,99+,100+/m1/s1",IVBOBIWEQHPIEN,JJPMKBCJSA,N,Ganglioside GT1b (d18:1/22:0),IVBOBIWEQHPIEN-JJPMKBCJSA-N
HMDB11985,2181.119188758,C100H172N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C100H172N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(122)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-80(129)79(128)84(68(50-110)141-92)144-94-82(131)90(151-100(97(136)137)44-62(119)73(103-56(6)115)88(149-100)78(127)67(49-109)146-98(95(132)133)42-60(117)71(101-54(4)113)86(147-98)74(123)63(120)45-105)85(69(51-111)142-94)145-91-57(41-53(3)112)83(76(125)65(47-107)139-91)143-93-81(130)89(77(126)66(48-108)140-93)150-99(96(134)135)43-61(118)72(102-55(5)114)87(148-99)75(124)64(121)46-106/h21-22,37,39,57-69,71-94,105-111,116-121,123-131H,7-20,23-36,38,40-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,122)(H,132,133)(H,134,135)(H,136,137)/b22-21-,39-37+/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77+,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89+,90-,91+,92-,93+,94+,98-,99+,100+/m1/s1",SHVMYHADOWAVOG,VUKIWEEHSA,N,Ganglioside GT1b (d18:1/22:1(13Z)),SHVMYHADOWAVOG-VUKIWEEHSA-N
HMDB11986,2197.150488886,C101H176N4O47,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C101H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-71(123)105-59(60(117)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)53-139-93-81(130)80(129)85(69(51-111)142-93)145-95-83(132)91(152-101(98(137)138)45-63(120)74(104-57(6)116)89(150-101)79(128)68(50-110)147-99(96(133)134)43-61(118)72(102-55(4)114)87(148-99)75(124)64(121)46-106)86(70(52-112)143-95)146-92-58(42-54(3)113)84(77(126)66(48-108)140-92)144-94-82(131)90(78(127)67(49-109)141-94)151-100(97(135)136)44-62(119)73(103-56(5)115)88(149-100)76(125)65(122)47-107/h38,40,58-70,72-95,106-112,117-122,124-132H,7-37,39,41-53H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,123)(H,133,134)(H,135,136)(H,137,138)/b40-38+/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90+,91-,92+,93-,94+,95+,99-,100+,101+/m1/s1",ONLYZEZBRLMNJW,LLIMLVEQSA,N,Ganglioside GT1b (d18:1/23:0),ONLYZEZBRLMNJW-LLIMLVEQSA-N
HMDB11987,2211.16613895,C102H178N4O47,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C102H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(124)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-82(131)81(130)86(70(52-112)143-94)146-96-84(133)92(153-102(99(138)139)46-64(121)75(105-58(6)117)90(151-102)80(129)69(51-111)148-100(97(134)135)44-62(119)73(103-56(4)115)88(149-100)76(125)65(122)47-107)87(71(53-113)144-96)147-93-59(43-55(3)114)85(78(127)67(49-109)141-93)145-95-83(132)91(79(128)68(50-110)142-95)152-101(98(136)137)45-63(120)74(104-57(5)116)89(150-101)77(126)66(123)48-108/h39,41,59-71,73-96,107-113,118-123,125-133H,7-38,40,42-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,124)(H,134,135)(H,136,137)(H,138,139)/b41-39+/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79+,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91+,92-,93+,94-,95+,96+,100-,101+,102+/m1/s1",GMOZRMZVTWWELV,RKBWIHCYSA,N,Ganglioside GT1b (d18:1/24:0),GMOZRMZVTWWELV-RKBWIHCYSA-N
HMDB11988,2209.150488886,C102H176N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C102H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(124)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-82(131)81(130)86(70(52-112)143-94)146-96-84(133)92(153-102(99(138)139)46-64(121)75(105-58(6)117)90(151-102)80(129)69(51-111)148-100(97(134)135)44-62(119)73(103-56(4)115)88(149-100)76(125)65(122)47-107)87(71(53-113)144-96)147-93-59(43-55(3)114)85(78(127)67(49-109)141-93)145-95-83(132)91(79(128)68(50-110)142-95)152-101(98(136)137)45-63(120)74(104-57(5)116)89(150-101)77(126)66(123)48-108/h21-22,39,41,59-71,73-96,107-113,118-123,125-133H,7-20,23-38,40,42-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,124)(H,134,135)(H,136,137)(H,138,139)/b22-21-,41-39+/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79+,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91+,92-,93+,94-,95+,96+,100-,101+,102+/m1/s1",CPOIWIZYTKOAQA,BESYSKKZSA,N,Ganglioside GT1b (d18:1/24:1(15Z)),CPOIWIZYTKOAQA-BESYSKKZSA-N
HMDB11989,2225.181789014,C103H180N4O47,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C103H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-73(125)107-61(62(119)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)55-141-95-83(132)82(131)87(71(53-113)144-95)147-97-85(134)93(154-103(100(139)140)47-65(122)76(106-59(6)118)91(152-103)81(130)70(52-112)149-101(98(135)136)45-63(120)74(104-57(4)116)89(150-101)77(126)66(123)48-108)88(72(54-114)145-97)148-94-60(44-56(3)115)86(79(128)68(50-110)142-94)146-96-84(133)92(80(129)69(51-111)143-96)153-102(99(137)138)46-64(121)75(105-58(5)117)90(151-102)78(127)67(124)49-109/h40,42,60-72,74-97,108-114,119-124,126-134H,7-39,41,43-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,125)(H,135,136)(H,137,138)(H,139,140)/b42-40+/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92+,93-,94+,95-,96+,97+,101-,102+,103+/m1/s1",LOSZEGAFXPCEHI,OWOAWMPGSA,N,Ganglioside GT1b (d18:1/25:0),LOSZEGAFXPCEHI-OWOAWMPGSA-N
HMDB11990,2239.197439078,C104H182N4O47,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C104H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(126)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-84(133)83(132)88(72(54-114)145-96)148-98-86(135)94(155-104(101(140)141)48-66(123)77(107-60(6)119)92(153-104)82(131)71(53-113)150-102(99(136)137)46-64(121)75(105-58(4)117)90(151-102)78(127)67(124)49-109)89(73(55-115)146-98)149-95-61(45-57(3)116)87(80(129)69(51-111)143-95)147-97-85(134)93(81(130)70(52-112)144-97)154-103(100(138)139)47-65(122)76(106-59(5)118)91(152-103)79(128)68(125)50-110/h41,43,61-73,75-98,109-115,120-125,127-135H,7-40,42,44-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,126)(H,136,137)(H,138,139)(H,140,141)/b43-41+/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80+,81+,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93+,94-,95+,96-,97+,98+,102-,103+,104+/m1/s1",JQTGOYSMVTZWOO,HAIQAUEDSA,N,Ganglioside GT1b (d18:1/26:0),JQTGOYSMVTZWOO-HAIQAUEDSA-N
HMDB11991,2237.181789014,C104H180N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C104H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(126)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-84(133)83(132)88(72(54-114)145-96)148-98-86(135)94(155-104(101(140)141)48-66(123)77(107-60(6)119)92(153-104)82(131)71(53-113)150-102(99(136)137)46-64(121)75(105-58(4)117)90(151-102)78(127)67(124)49-109)89(73(55-115)146-98)149-95-61(45-57(3)116)87(80(129)69(51-111)143-95)147-97-85(134)93(81(130)70(52-112)144-97)154-103(100(138)139)47-65(122)76(106-59(5)118)91(152-103)79(128)68(125)50-110/h21-22,41,43,61-73,75-98,109-115,120-125,127-135H,7-20,23-40,42,44-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,126)(H,136,137)(H,138,139)(H,140,141)/b22-21-,43-41+/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80+,81+,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93+,94-,95+,96-,97+,98+,102-,103+,104+/m1/s1",FWSLPIRUQOOPBO,FQLLHZBDSA,N,Ganglioside GT1b (d18:1/26:1(17Z)),FWSLPIRUQOOPBO-FQLLHZBDSA-N
HMDB11992,2044.993988246,C90H156N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C90H156N4O47/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-49(106)48(94-60(111)30-28-26-24-21-16-14-12-10-8-2)42-128-82-72(120)70(118)75(58(40-100)131-82)134-84-73(121)80(76(59(41-101)132-84)135-81-47(31-43(3)102)74(66(114)55(37-97)129-81)133-83-71(119)69(117)65(113)54(36-96)130-83)141-90(87(126)127)34-52(109)63(93-46(6)105)79(140-90)68(116)57(39-99)137-89(86(124)125)33-51(108)62(92-45(5)104)78(139-89)67(115)56(38-98)136-88(85(122)123)32-50(107)61(91-44(4)103)77(138-88)64(112)53(110)35-95/h47-59,61-84,95-101,106-110,112-121H,7-42H2,1-6H3,(H,91,103)(H,92,104)(H,93,105)(H,94,111)(H,122,123)(H,124,125)(H,126,127)/t47-,48+,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69+,70-,71-,72-,73-,74-,75-,76+,77?,78?,79?,80-,81+,82-,83+,84+,88-,89-,90+/m1/s1",BCOJXUFVPLLSEM,KXKLZEPYSA,N,Ganglioside GT1c (d18:0/12:0),BCOJXUFVPLLSEM-KXKLZEPYSA-N
HMDB11993,2073.025288374,C92H160N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C92H160N4O47/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-51(108)50(96-62(113)32-30-28-26-24-21-18-16-14-12-10-8-2)44-130-84-74(122)72(120)77(60(42-102)133-84)136-86-75(123)82(78(61(43-103)134-86)137-83-49(33-45(3)104)76(68(116)57(39-99)131-83)135-85-73(121)71(119)67(115)56(38-98)132-85)143-92(89(128)129)36-54(111)65(95-48(6)107)81(142-92)70(118)59(41-101)139-91(88(126)127)35-53(110)64(94-47(5)106)80(141-91)69(117)58(40-100)138-90(87(124)125)34-52(109)63(93-46(4)105)79(140-90)66(114)55(112)37-97/h49-61,63-86,97-103,108-112,114-123H,7-44H2,1-6H3,(H,93,105)(H,94,106)(H,95,107)(H,96,113)(H,124,125)(H,126,127)(H,128,129)/t49-,50+,51-,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81?,82-,83+,84-,85+,86+,90-,91-,92+/m1/s1",LTMIGSBJGKEJHJ,PUWRRMHASA,N,Ganglioside GT1c (d18:0/14:0),LTMIGSBJGKEJHJ-PUWRRMHASA-N
HMDB11994,2101.056588502,C94H164N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C94H164N4O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(110)52(98-64(115)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)46-132-86-76(124)74(122)79(62(44-104)135-86)138-88-77(125)84(80(63(45-105)136-88)139-85-51(35-47(3)106)78(70(118)59(41-101)133-85)137-87-75(123)73(121)69(117)58(40-100)134-87)145-94(91(130)131)38-56(113)67(97-50(6)109)83(144-94)72(120)61(43-103)141-93(90(128)129)37-55(112)66(96-49(5)108)82(143-93)71(119)60(42-102)140-92(89(126)127)36-54(111)65(95-48(4)107)81(142-92)68(116)57(114)39-99/h51-63,65-88,99-105,110-114,116-125H,7-46H2,1-6H3,(H,95,107)(H,96,108)(H,97,109)(H,98,115)(H,126,127)(H,128,129)(H,130,131)/t51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70+,71-,72-,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83?,84-,85+,86-,87+,88+,92-,93-,94+/m1/s1",HHILOZWIFXVQCA,QQXUBARGSA,N,Ganglioside GT1c (d18:0/16:0),HHILOZWIFXVQCA-QQXUBARGSA-N
HMDB11995,2129.08788863,C96H168N4O47,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C96H168N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h53-65,67-90,101-107,112-116,118-127H,7-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1",JVGHFHUVVURMAY,XYIULRIBSA,N,Ganglioside GT1c (d18:0/18:0),JVGHFHUVVURMAY-XYIULRIBSA-N
HMDB11996,2127.072238566,C96H166N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h17,19,53-65,67-90,101-107,112-116,118-127H,7-16,18,20-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/b19-17-/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1",GFVQWXISYZJVOM,AONAWOKASA,N,Ganglioside GT1c (d18:0/18:1(11Z)),GFVQWXISYZJVOM-AONAWOKASA-N
HMDB11997,2127.072238566,C96H166N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h21-22,53-65,67-90,101-107,112-116,118-127H,7-20,23-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/b22-21-/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1",JMHRCDDCHFKDKW,MZLLXJCNSA,N,Ganglioside GT1c (d18:0/18:1(9Z)),JMHRCDDCHFKDKW-MZLLXJCNSA-N
HMDB11998,2157.119188758,C98H172N4O47,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C98H172N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-68(119)102-56(57(114)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)50-136-90-80(128)78(126)83(66(48-108)139-90)142-92-81(129)88(84(67(49-109)140-92)143-89-55(39-51(3)110)82(74(122)63(45-105)137-89)141-91-79(127)77(125)73(121)62(44-104)138-91)149-98(95(134)135)42-60(117)71(101-54(6)113)87(148-98)76(124)65(47-107)145-97(94(132)133)41-59(116)70(100-53(5)112)86(147-97)75(123)64(46-106)144-96(93(130)131)40-58(115)69(99-52(4)111)85(146-96)72(120)61(118)43-103/h55-67,69-92,103-109,114-118,120-129H,7-50H2,1-6H3,(H,99,111)(H,100,112)(H,101,113)(H,102,119)(H,130,131)(H,132,133)(H,134,135)/t55-,56+,57-,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73+,74+,75-,76-,77+,78-,79-,80-,81-,82-,83-,84+,85?,86?,87?,88-,89+,90-,91+,92+,96-,97-,98+/m1/s1",BYTSAXURWGSJRZ,LKTNDZCISA,N,Ganglioside GT1c (d18:0/20:0),BYTSAXURWGSJRZ-LKTNDZCISA-N
HMDB11999,2185.150488886,C100H176N4O47,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C100H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(121)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-82(130)80(128)85(68(50-110)141-92)144-94-83(131)90(86(69(51-111)142-94)145-91-57(41-53(3)112)84(76(124)65(47-107)139-91)143-93-81(129)79(127)75(123)64(46-106)140-93)151-100(97(136)137)44-62(119)73(103-56(6)115)89(150-100)78(126)67(49-109)147-99(96(134)135)43-61(118)72(102-55(5)114)88(149-99)77(125)66(48-108)146-98(95(132)133)42-60(117)71(101-54(4)113)87(148-98)74(122)63(120)45-105/h57-69,71-94,105-111,116-120,122-131H,7-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,121)(H,132,133)(H,134,135)(H,136,137)/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75+,76+,77-,78-,79+,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90-,91+,92-,93+,94+,98-,99-,100+/m1/s1",FRMMKDABGDAVFA,RMHGRDRFSA,N,Ganglioside GT1c (d18:0/22:0),FRMMKDABGDAVFA-RMHGRDRFSA-N
HMDB12000,2183.134838822,C100H174N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C100H174N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(121)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-82(130)80(128)85(68(50-110)141-92)144-94-83(131)90(86(69(51-111)142-94)145-91-57(41-53(3)112)84(76(124)65(47-107)139-91)143-93-81(129)79(127)75(123)64(46-106)140-93)151-100(97(136)137)44-62(119)73(103-56(6)115)89(150-100)78(126)67(49-109)147-99(96(134)135)43-61(118)72(102-55(5)114)88(149-99)77(125)66(48-108)146-98(95(132)133)42-60(117)71(101-54(4)113)87(148-98)74(122)63(120)45-105/h21-22,57-69,71-94,105-111,116-120,122-131H,7-20,23-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,121)(H,132,133)(H,134,135)(H,136,137)/b22-21-/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75+,76+,77-,78-,79+,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90-,91+,92-,93+,94+,98-,99-,100+/m1/s1",YEDHGFVSDRETBA,FCFANARBSA,N,Ganglioside GT1c (d18:0/22:1(13Z)),YEDHGFVSDRETBA-FCFANARBSA-N
HMDB12001,2199.16613895,C101H178N4O47,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C101H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-71(122)105-59(60(117)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)53-139-93-83(131)81(129)86(69(51-111)142-93)145-95-84(132)91(87(70(52-112)143-95)146-92-58(42-54(3)113)85(77(125)66(48-108)140-92)144-94-82(130)80(128)76(124)65(47-107)141-94)152-101(98(137)138)45-63(120)74(104-57(6)116)90(151-101)79(127)68(50-110)148-100(97(135)136)44-62(119)73(103-56(5)115)89(150-100)78(126)67(49-109)147-99(96(133)134)43-61(118)72(102-55(4)114)88(149-99)75(123)64(121)46-106/h58-70,72-95,106-112,117-121,123-132H,7-53H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,122)(H,133,134)(H,135,136)(H,137,138)/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76+,77+,78-,79-,80+,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91-,92+,93-,94+,95+,99-,100-,101+/m1/s1",CUSMRVXVPFOPPC,YNGQHZKQSA,N,Ganglioside GT1c (d18:0/23:0),CUSMRVXVPFOPPC-YNGQHZKQSA-N
HMDB12002,2213.181789014,C102H180N4O47,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C102H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(123)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-84(132)82(130)87(70(52-112)143-94)146-96-85(133)92(88(71(53-113)144-96)147-93-59(43-55(3)114)86(78(126)67(49-109)141-93)145-95-83(131)81(129)77(125)66(48-108)142-95)153-102(99(138)139)46-64(121)75(105-58(6)117)91(152-102)80(128)69(51-111)149-101(98(136)137)45-63(120)74(104-57(5)116)90(151-101)79(127)68(50-110)148-100(97(134)135)44-62(119)73(103-56(4)115)89(150-100)76(124)65(122)47-107/h59-71,73-96,107-113,118-122,124-133H,7-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,123)(H,134,135)(H,136,137)(H,138,139)/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77+,78+,79-,80-,81+,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92-,93+,94-,95+,96+,100-,101-,102+/m1/s1",NEYDRJMRZKGFMA,QELNAKMKSA,N,Ganglioside GT1c (d18:0/24:0),NEYDRJMRZKGFMA-QELNAKMKSA-N
HMDB12003,2211.16613895,C102H178N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C102H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(123)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-84(132)82(130)87(70(52-112)143-94)146-96-85(133)92(88(71(53-113)144-96)147-93-59(43-55(3)114)86(78(126)67(49-109)141-93)145-95-83(131)81(129)77(125)66(48-108)142-95)153-102(99(138)139)46-64(121)75(105-58(6)117)91(152-102)80(128)69(51-111)149-101(98(136)137)45-63(120)74(104-57(5)116)90(151-101)79(127)68(50-110)148-100(97(134)135)44-62(119)73(103-56(4)115)89(150-100)76(124)65(122)47-107/h21-22,59-71,73-96,107-113,118-122,124-133H,7-20,23-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,123)(H,134,135)(H,136,137)(H,138,139)/b22-21-/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77+,78+,79-,80-,81+,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92-,93+,94-,95+,96+,100-,101-,102+/m1/s1",FMTAOWPZEPQGCG,ZDKNWTAISA,N,Ganglioside GT1c (d18:0/24:1(15Z)),FMTAOWPZEPQGCG-ZDKNWTAISA-N
HMDB12004,2227.197439078,C103H182N4O47,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C103H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-73(124)107-61(62(119)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)55-141-95-85(133)83(131)88(71(53-113)144-95)147-97-86(134)93(89(72(54-114)145-97)148-94-60(44-56(3)115)87(79(127)68(50-110)142-94)146-96-84(132)82(130)78(126)67(49-109)143-96)154-103(100(139)140)47-65(122)76(106-59(6)118)92(153-103)81(129)70(52-112)150-102(99(137)138)46-64(121)75(105-58(5)117)91(152-102)80(128)69(51-111)149-101(98(135)136)45-63(120)74(104-57(4)116)90(151-101)77(125)66(123)48-108/h60-72,74-97,108-114,119-123,125-134H,7-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,124)(H,135,136)(H,137,138)(H,139,140)/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,74-,75-,76-,77-,78+,79+,80-,81-,82+,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93-,94+,95-,96+,97+,101-,102-,103+/m1/s1",OUFDDAGCYLYPKD,YYDRNDETSA,N,Ganglioside GT1c (d18:0/25:0),OUFDDAGCYLYPKD-YYDRNDETSA-N
HMDB12005,2241.213089142,C104H184N4O47,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C104H184N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(125)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-86(134)84(132)89(72(54-114)145-96)148-98-87(135)94(90(73(55-115)146-98)149-95-61(45-57(3)116)88(80(128)69(51-111)143-95)147-97-85(133)83(131)79(127)68(50-110)144-97)155-104(101(140)141)48-66(123)77(107-60(6)119)93(154-104)82(130)71(53-113)151-103(100(138)139)47-65(122)76(106-59(5)118)92(153-103)81(129)70(52-112)150-102(99(136)137)46-64(121)75(105-58(4)117)91(152-102)78(126)67(124)49-109/h61-73,75-98,109-115,120-124,126-135H,7-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79+,80+,81-,82-,83+,84-,85-,86-,87-,88-,89-,90+,91?,92?,93?,94-,95+,96-,97+,98+,102-,103-,104+/m1/s1",GZLMBIJQZKTHPV,OTCHOCBWSA,N,Ganglioside GT1c (d18:0/26:0),GZLMBIJQZKTHPV-OTCHOCBWSA-N
HMDB12006,2239.197439078,C104H182N4O47,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C104H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(125)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-86(134)84(132)89(72(54-114)145-96)148-98-87(135)94(90(73(55-115)146-98)149-95-61(45-57(3)116)88(80(128)69(51-111)143-95)147-97-85(133)83(131)79(127)68(50-110)144-97)155-104(101(140)141)48-66(123)77(107-60(6)119)93(154-104)82(130)71(53-113)151-103(100(138)139)47-65(122)76(106-59(5)118)92(153-103)81(129)70(52-112)150-102(99(136)137)46-64(121)75(105-58(4)117)91(152-102)78(126)67(124)49-109/h21-22,61-73,75-98,109-115,120-124,126-135H,7-20,23-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/b22-21-/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79+,80+,81-,82-,83+,84-,85-,86-,87-,88-,89-,90+,91?,92?,93?,94-,95+,96-,97+,98+,102-,103-,104+/m1/s1",KEYCKIGVOLAROR,GQBOFTFESA,N,Ganglioside GT1c (d18:0/26:1(17Z)),KEYCKIGVOLAROR-GQBOFTFESA-N
HMDB12007,2042.978338182,C90H154N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C90H154N4O47/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-49(106)48(94-60(111)30-28-26-24-21-16-14-12-10-8-2)42-128-82-72(120)70(118)75(58(40-100)131-82)134-84-73(121)80(76(59(41-101)132-84)135-81-47(31-43(3)102)74(66(114)55(37-97)129-81)133-83-71(119)69(117)65(113)54(36-96)130-83)141-90(87(126)127)34-52(109)63(93-46(6)105)79(140-90)68(116)57(39-99)137-89(86(124)125)33-51(108)62(92-45(5)104)78(139-89)67(115)56(38-98)136-88(85(122)123)32-50(107)61(91-44(4)103)77(138-88)64(112)53(110)35-95/h27,29,47-59,61-84,95-101,106-110,112-121H,7-26,28,30-42H2,1-6H3,(H,91,103)(H,92,104)(H,93,105)(H,94,111)(H,122,123)(H,124,125)(H,126,127)/b29-27+/t47-,48+,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69+,70-,71-,72-,73-,74-,75-,76+,77?,78?,79?,80-,81+,82-,83+,84+,88-,89-,90+/m1/s1",FVJJFMIANVFLIU,ZQUVQEDXSA,N,Ganglioside GT1c (d18:1/12:0),FVJJFMIANVFLIU-ZQUVQEDXSA-N
HMDB12008,2071.00963831,C92H158N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C92H158N4O47/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-51(108)50(96-62(113)32-30-28-26-24-21-18-16-14-12-10-8-2)44-130-84-74(122)72(120)77(60(42-102)133-84)136-86-75(123)82(78(61(43-103)134-86)137-83-49(33-45(3)104)76(68(116)57(39-99)131-83)135-85-73(121)71(119)67(115)56(38-98)132-85)143-92(89(128)129)36-54(111)65(95-48(6)107)81(142-92)70(118)59(41-101)139-91(88(126)127)35-53(110)64(94-47(5)106)80(141-91)69(117)58(40-100)138-90(87(124)125)34-52(109)63(93-46(4)105)79(140-90)66(114)55(112)37-97/h29,31,49-61,63-86,97-103,108-112,114-123H,7-28,30,32-44H2,1-6H3,(H,93,105)(H,94,106)(H,95,107)(H,96,113)(H,124,125)(H,126,127)(H,128,129)/b31-29+/t49-,50+,51-,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81?,82-,83+,84-,85+,86+,90-,91-,92+/m1/s1",HRBUVLHIHBDWMS,XDENCECFSA,N,Ganglioside GT1c (d18:1/14:0),HRBUVLHIHBDWMS-XDENCECFSA-N
HMDB12009,2099.040938438,C94H162N4O47,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C94H162N4O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(110)52(98-64(115)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)46-132-86-76(124)74(122)79(62(44-104)135-86)138-88-77(125)84(80(63(45-105)136-88)139-85-51(35-47(3)106)78(70(118)59(41-101)133-85)137-87-75(123)73(121)69(117)58(40-100)134-87)145-94(91(130)131)38-56(113)67(97-50(6)109)83(144-94)72(120)61(43-103)141-93(90(128)129)37-55(112)66(96-49(5)108)82(143-93)71(119)60(42-102)140-92(89(126)127)36-54(111)65(95-48(4)107)81(142-92)68(116)57(114)39-99/h31,33,51-63,65-88,99-105,110-114,116-125H,7-30,32,34-46H2,1-6H3,(H,95,107)(H,96,108)(H,97,109)(H,98,115)(H,126,127)(H,128,129)(H,130,131)/b33-31+/t51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70+,71-,72-,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83?,84-,85+,86-,87+,88+,92-,93-,94+/m1/s1",MSKGBSJDJGTXOM,INXHXUFFSA,N,Ganglioside GT1c (d18:1/16:0),MSKGBSJDJGTXOM-INXHXUFFSA-N
HMDB12010,2127.072238566,C96H166N4O47,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h33,35,53-65,67-90,101-107,112-116,118-127H,7-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/b35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1",HHEYVXPFEXPQPC,KIERKVJJSA,N,Ganglioside GT1c (d18:1/18:0),HHEYVXPFEXPQPC-KIERKVJJSA-N
HMDB12011,2125.056588502,C96H164N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C96H164N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h17,19,33,35,53-65,67-90,101-107,112-116,118-127H,7-16,18,20-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/b19-17-,35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1",WISFURKNQXSDRA,SBAQMYEFSA,N,Ganglioside GT1c (d18:1/18:1(11Z)),WISFURKNQXSDRA-SBAQMYEFSA-N
HMDB12012,2125.056588502,C96H164N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C96H164N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h21-22,33,35,53-65,67-90,101-107,112-116,118-127H,7-20,23-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/b22-21-,35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1",WAEYTQXDALMJKQ,BNKMMDBJSA,N,Ganglioside GT1c (d18:1/18:1(9Z)),WAEYTQXDALMJKQ-BNKMMDBJSA-N
HMDB12013,2155.103538694,C98H170N4O47,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C98H170N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-68(119)102-56(57(114)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)50-136-90-80(128)78(126)83(66(48-108)139-90)142-92-81(129)88(84(67(49-109)140-92)143-89-55(39-51(3)110)82(74(122)63(45-105)137-89)141-91-79(127)77(125)73(121)62(44-104)138-91)149-98(95(134)135)42-60(117)71(101-54(6)113)87(148-98)76(124)65(47-107)145-97(94(132)133)41-59(116)70(100-53(5)112)86(147-97)75(123)64(46-106)144-96(93(130)131)40-58(115)69(99-52(4)111)85(146-96)72(120)61(118)43-103/h35,37,55-67,69-92,103-109,114-118,120-129H,7-34,36,38-50H2,1-6H3,(H,99,111)(H,100,112)(H,101,113)(H,102,119)(H,130,131)(H,132,133)(H,134,135)/b37-35+/t55-,56+,57-,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73+,74+,75-,76-,77+,78-,79-,80-,81-,82-,83-,84+,85?,86?,87?,88-,89+,90-,91+,92+,96-,97-,98+/m1/s1",PRZJLXKQFIDOEE,BCBCNLEUSA,N,Ganglioside GT1c (d18:1/20:0),PRZJLXKQFIDOEE-BCBCNLEUSA-N
HMDB12014,2183.134838822,C100H174N4O47,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C100H174N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(121)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-82(130)80(128)85(68(50-110)141-92)144-94-83(131)90(86(69(51-111)142-94)145-91-57(41-53(3)112)84(76(124)65(47-107)139-91)143-93-81(129)79(127)75(123)64(46-106)140-93)151-100(97(136)137)44-62(119)73(103-56(6)115)89(150-100)78(126)67(49-109)147-99(96(134)135)43-61(118)72(102-55(5)114)88(149-99)77(125)66(48-108)146-98(95(132)133)42-60(117)71(101-54(4)113)87(148-98)74(122)63(120)45-105/h37,39,57-69,71-94,105-111,116-120,122-131H,7-36,38,40-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,121)(H,132,133)(H,134,135)(H,136,137)/b39-37+/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75+,76+,77-,78-,79+,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90-,91+,92-,93+,94+,98-,99-,100+/m1/s1",IAUHNFPLJIJPAX,JDHJHYLASA,N,Ganglioside GT1c (d18:1/22:0),IAUHNFPLJIJPAX-JDHJHYLASA-N
HMDB12015,2181.119188758,C100H172N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C100H172N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(121)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-82(130)80(128)85(68(50-110)141-92)144-94-83(131)90(86(69(51-111)142-94)145-91-57(41-53(3)112)84(76(124)65(47-107)139-91)143-93-81(129)79(127)75(123)64(46-106)140-93)151-100(97(136)137)44-62(119)73(103-56(6)115)89(150-100)78(126)67(49-109)147-99(96(134)135)43-61(118)72(102-55(5)114)88(149-99)77(125)66(48-108)146-98(95(132)133)42-60(117)71(101-54(4)113)87(148-98)74(122)63(120)45-105/h21-22,37,39,57-69,71-94,105-111,116-120,122-131H,7-20,23-36,38,40-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,121)(H,132,133)(H,134,135)(H,136,137)/b22-21-,39-37+/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75+,76+,77-,78-,79+,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90-,91+,92-,93+,94+,98-,99-,100+/m1/s1",ZDXYPTWIOUNKFT,MEPXFHFISA,N,Ganglioside GT1c (d18:1/22:1(13Z)),ZDXYPTWIOUNKFT-MEPXFHFISA-N
HMDB12016,2197.150488886,C101H176N4O47,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C101H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-71(122)105-59(60(117)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)53-139-93-83(131)81(129)86(69(51-111)142-93)145-95-84(132)91(87(70(52-112)143-95)146-92-58(42-54(3)113)85(77(125)66(48-108)140-92)144-94-82(130)80(128)76(124)65(47-107)141-94)152-101(98(137)138)45-63(120)74(104-57(6)116)90(151-101)79(127)68(50-110)148-100(97(135)136)44-62(119)73(103-56(5)115)89(150-100)78(126)67(49-109)147-99(96(133)134)43-61(118)72(102-55(4)114)88(149-99)75(123)64(121)46-106/h38,40,58-70,72-95,106-112,117-121,123-132H,7-37,39,41-53H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,122)(H,133,134)(H,135,136)(H,137,138)/b40-38+/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76+,77+,78-,79-,80+,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91-,92+,93-,94+,95+,99-,100-,101+/m1/s1",ZCKPPVGLRBYAFX,ZWQMNXMYSA,N,Ganglioside GT1c (d18:1/23:0),ZCKPPVGLRBYAFX-ZWQMNXMYSA-N
HMDB12017,2211.16613895,C102H178N4O47,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C102H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(123)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-84(132)82(130)87(70(52-112)143-94)146-96-85(133)92(88(71(53-113)144-96)147-93-59(43-55(3)114)86(78(126)67(49-109)141-93)145-95-83(131)81(129)77(125)66(48-108)142-95)153-102(99(138)139)46-64(121)75(105-58(6)117)91(152-102)80(128)69(51-111)149-101(98(136)137)45-63(120)74(104-57(5)116)90(151-101)79(127)68(50-110)148-100(97(134)135)44-62(119)73(103-56(4)115)89(150-100)76(124)65(122)47-107/h39,41,59-71,73-96,107-113,118-122,124-133H,7-38,40,42-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,123)(H,134,135)(H,136,137)(H,138,139)/b41-39+/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77+,78+,79-,80-,81+,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92-,93+,94-,95+,96+,100-,101-,102+/m1/s1",IAWNZHMRBJMGSX,ZOAAOFDGSA,N,Ganglioside GT1c (d18:1/24:0),IAWNZHMRBJMGSX-ZOAAOFDGSA-N
HMDB12018,2209.150488886,C102H176N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C102H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(123)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-84(132)82(130)87(70(52-112)143-94)146-96-85(133)92(88(71(53-113)144-96)147-93-59(43-55(3)114)86(78(126)67(49-109)141-93)145-95-83(131)81(129)77(125)66(48-108)142-95)153-102(99(138)139)46-64(121)75(105-58(6)117)91(152-102)80(128)69(51-111)149-101(98(136)137)45-63(120)74(104-57(5)116)90(151-101)79(127)68(50-110)148-100(97(134)135)44-62(119)73(103-56(4)115)89(150-100)76(124)65(122)47-107/h21-22,39,41,59-71,73-96,107-113,118-122,124-133H,7-20,23-38,40,42-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,123)(H,134,135)(H,136,137)(H,138,139)/b22-21-,41-39+/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77+,78+,79-,80-,81+,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92-,93+,94-,95+,96+,100-,101-,102+/m1/s1",LWUIKSGTHLJGQX,OHGDQUHKSA,N,Ganglioside GT1c (d18:1/24:1(15Z)),LWUIKSGTHLJGQX-OHGDQUHKSA-N
HMDB12019,2225.181789014,C103H180N4O47,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C103H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-73(124)107-61(62(119)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)55-141-95-85(133)83(131)88(71(53-113)144-95)147-97-86(134)93(89(72(54-114)145-97)148-94-60(44-56(3)115)87(79(127)68(50-110)142-94)146-96-84(132)82(130)78(126)67(49-109)143-96)154-103(100(139)140)47-65(122)76(106-59(6)118)92(153-103)81(129)70(52-112)150-102(99(137)138)46-64(121)75(105-58(5)117)91(152-102)80(128)69(51-111)149-101(98(135)136)45-63(120)74(104-57(4)116)90(151-101)77(125)66(123)48-108/h40,42,60-72,74-97,108-114,119-123,125-134H,7-39,41,43-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,124)(H,135,136)(H,137,138)(H,139,140)/b42-40+/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,74-,75-,76-,77-,78+,79+,80-,81-,82+,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93-,94+,95-,96+,97+,101-,102-,103+/m1/s1",MVVASPSUGQOULR,RYWQWFQNSA,N,Ganglioside GT1c (d18:1/25:0),MVVASPSUGQOULR-RYWQWFQNSA-N
HMDB12020,2239.197439078,C104H182N4O47,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C104H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(125)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-86(134)84(132)89(72(54-114)145-96)148-98-87(135)94(90(73(55-115)146-98)149-95-61(45-57(3)116)88(80(128)69(51-111)143-95)147-97-85(133)83(131)79(127)68(50-110)144-97)155-104(101(140)141)48-66(123)77(107-60(6)119)93(154-104)82(130)71(53-113)151-103(100(138)139)47-65(122)76(106-59(5)118)92(153-103)81(129)70(52-112)150-102(99(136)137)46-64(121)75(105-58(4)117)91(152-102)78(126)67(124)49-109/h41,43,61-73,75-98,109-115,120-124,126-135H,7-40,42,44-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/b43-41+/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79+,80+,81-,82-,83+,84-,85-,86-,87-,88-,89-,90+,91?,92?,93?,94-,95+,96-,97+,98+,102-,103-,104+/m1/s1",HDNXAPIIVMAATF,JSBKFMPVSA,N,Ganglioside GT1c (d18:1/26:0),HDNXAPIIVMAATF-JSBKFMPVSA-N
HMDB12021,2237.181789014,C104H180N4O47,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C104H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(125)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-86(134)84(132)89(72(54-114)145-96)148-98-87(135)94(90(73(55-115)146-98)149-95-61(45-57(3)116)88(80(128)69(51-111)143-95)147-97-85(133)83(131)79(127)68(50-110)144-97)155-104(101(140)141)48-66(123)77(107-60(6)119)93(154-104)82(130)71(53-113)151-103(100(138)139)47-65(122)76(106-59(5)118)92(153-103)81(129)70(52-112)150-102(99(136)137)46-64(121)75(105-58(4)117)91(152-102)78(126)67(124)49-109/h21-22,41,43,61-73,75-98,109-115,120-124,126-135H,7-20,23-40,42,44-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/b22-21-,43-41+/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79+,80+,81-,82-,83+,84-,85-,86-,87-,88-,89-,90+,91?,92?,93?,94-,95+,96-,97+,98+,102-,103-,104+/m1/s1",VOYOERBQVMMBLE,CDZHRIPTSA,N,Ganglioside GT1c (d18:1/26:1(17Z)),VOYOERBQVMMBLE-CDZHRIPTSA-N
HMDB12022,1882.941164816,C84H146N4O42,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C84H146N4O42/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-48(99)47(88-58(104)30-28-26-24-21-16-14-12-10-8-2)41-119-77-68(111)67(110)70(56(39-93)121-77)123-78-69(112)75(71(57(40-94)122-78)124-76-46(31-42(3)95)62(105)64(107)53(36-90)120-76)130-84(81(117)118)34-51(102)61(87-45(6)98)74(129-84)66(109)55(38-92)126-83(80(115)116)33-50(101)60(86-44(5)97)73(128-83)65(108)54(37-91)125-82(79(113)114)32-49(100)59(85-43(4)96)72(127-82)63(106)52(103)35-89/h46-57,59-78,89-94,99-103,105-112H,7-41H2,1-6H3,(H,85,96)(H,86,97)(H,87,98)(H,88,104)(H,113,114)(H,115,116)(H,117,118)/t46-,47+,48-,49+,50+,51+,52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,70-,71+,72?,73?,74?,75-,76+,77-,78+,82-,83-,84+/m1/s1",QHXLAHDJWZFEDC,POYNKJEFSA,N,Ganglioside GT2 (d18:0/12:0),QHXLAHDJWZFEDC-POYNKJEFSA-N
HMDB12023,1910.972464944,C86H150N4O42,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C86H150N4O42/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-50(101)49(90-60(106)32-30-28-26-24-21-18-16-14-12-10-8-2)43-121-79-70(113)69(112)72(58(41-95)123-79)125-80-71(114)77(73(59(42-96)124-80)126-78-48(33-44(3)97)64(107)66(109)55(38-92)122-78)132-86(83(119)120)36-53(104)63(89-47(6)100)76(131-86)68(111)57(40-94)128-85(82(117)118)35-52(103)62(88-46(5)99)75(130-85)67(110)56(39-93)127-84(81(115)116)34-51(102)61(87-45(4)98)74(129-84)65(108)54(105)37-91/h48-59,61-80,91-96,101-105,107-114H,7-43H2,1-6H3,(H,87,98)(H,88,99)(H,89,100)(H,90,106)(H,115,116)(H,117,118)(H,119,120)/t48-,49+,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76?,77-,78+,79-,80+,84-,85-,86+/m1/s1",YZYYIYDIXYXMHE,NEHGNHFSSA,N,Ganglioside GT2 (d18:0/14:0),YZYYIYDIXYXMHE-NEHGNHFSSA-N
HMDB12024,1939.003765072,C88H154N4O42,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C88H154N4O42/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(103)51(92-62(108)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-123-81-72(115)71(114)74(60(43-97)125-81)127-82-73(116)79(75(61(44-98)126-82)128-80-50(35-46(3)99)66(109)68(111)57(40-94)124-80)134-88(85(121)122)38-55(106)65(91-49(6)102)78(133-88)70(113)59(42-96)130-87(84(119)120)37-54(105)64(90-48(5)101)77(132-87)69(112)58(41-95)129-86(83(117)118)36-53(104)63(89-47(4)100)76(131-86)67(110)56(107)39-93/h50-61,63-82,93-98,103-107,109-116H,7-45H2,1-6H3,(H,89,100)(H,90,101)(H,91,102)(H,92,108)(H,117,118)(H,119,120)(H,121,122)/t50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74-,75+,76?,77?,78?,79-,80+,81-,82+,86-,87-,88+/m1/s1",DQJGLVYHIANDHO,ZLRJHYQJSA,N,Ganglioside GT2 (d18:0/16:0),DQJGLVYHIANDHO-ZLRJHYQJSA-N
HMDB12025,1967.0350652,C90H158N4O42,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C90H158N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h52-63,65-84,95-100,105-109,111-118H,7-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1",YDHWQUGESQERCH,OWUJQMNRSA,N,Ganglioside GT2 (d18:0/18:0),YDHWQUGESQERCH-OWUJQMNRSA-N
HMDB12026,1965.019415136,C90H156N4O42,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C90H156N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h17,19,52-63,65-84,95-100,105-109,111-118H,7-16,18,20-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/b19-17-/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1",QENDXOKQCMYBLC,ZXIQMHQGSA,N,Ganglioside GT2 (d18:0/18:1(11Z)),QENDXOKQCMYBLC-ZXIQMHQGSA-N
HMDB12027,1965.019415136,C90H156N4O42,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C90H156N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h21-22,52-63,65-84,95-100,105-109,111-118H,7-20,23-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/b22-21-/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1",OHZCWYMRVQPGSL,CWIGSWLSSA,N,Ganglioside GT2 (d18:0/18:1(9Z)),OHZCWYMRVQPGSL-CWIGSWLSSA-N
HMDB12028,1995.066365328,C92H162N4O42,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C92H162N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-66(112)96-55(56(107)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)49-127-85-76(119)75(118)78(64(47-101)129-85)131-86-77(120)83(79(65(48-102)130-86)132-84-54(39-50(3)103)70(113)72(115)61(44-98)128-84)138-92(89(125)126)42-59(110)69(95-53(6)106)82(137-92)74(117)63(46-100)134-91(88(123)124)41-58(109)68(94-52(5)105)81(136-91)73(116)62(45-99)133-90(87(121)122)40-57(108)67(93-51(4)104)80(135-90)71(114)60(111)43-97/h54-65,67-86,97-102,107-111,113-120H,7-49H2,1-6H3,(H,93,104)(H,94,105)(H,95,106)(H,96,112)(H,121,122)(H,123,124)(H,125,126)/t54-,55+,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82?,83-,84+,85-,86+,90-,91-,92+/m1/s1",MIOYXQUDLLYMSX,UARLSFGXSA,N,Ganglioside GT2 (d18:0/20:0),MIOYXQUDLLYMSX-UARLSFGXSA-N
HMDB12029,2023.097665456,C94H166N4O42,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C94H166N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(114)98-57(58(109)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-129-87-78(121)77(120)80(66(49-103)131-87)133-88-79(122)85(81(67(50-104)132-88)134-86-56(41-52(3)105)72(115)74(117)63(46-100)130-86)140-94(91(127)128)44-61(112)71(97-55(6)108)84(139-94)76(119)65(48-102)136-93(90(125)126)43-60(111)70(96-54(5)107)83(138-93)75(118)64(47-101)135-92(89(123)124)42-59(110)69(95-53(4)106)82(137-92)73(116)62(113)45-99/h56-67,69-88,99-104,109-113,115-122H,7-51H2,1-6H3,(H,95,106)(H,96,107)(H,97,108)(H,98,114)(H,123,124)(H,125,126)(H,127,128)/t56-,57+,58-,59+,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85-,86+,87-,88+,92-,93-,94+/m1/s1",KPWVHHMGDZAYJJ,NCYGHUESSA,N,Ganglioside GT2 (d18:0/22:0),KPWVHHMGDZAYJJ-NCYGHUESSA-N
HMDB12030,2021.082015392,C94H164N4O42,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C94H164N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(114)98-57(58(109)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-129-87-78(121)77(120)80(66(49-103)131-87)133-88-79(122)85(81(67(50-104)132-88)134-86-56(41-52(3)105)72(115)74(117)63(46-100)130-86)140-94(91(127)128)44-61(112)71(97-55(6)108)84(139-94)76(119)65(48-102)136-93(90(125)126)43-60(111)70(96-54(5)107)83(138-93)75(118)64(47-101)135-92(89(123)124)42-59(110)69(95-53(4)106)82(137-92)73(116)62(113)45-99/h21-22,56-67,69-88,99-104,109-113,115-122H,7-20,23-51H2,1-6H3,(H,95,106)(H,96,107)(H,97,108)(H,98,114)(H,123,124)(H,125,126)(H,127,128)/b22-21-/t56-,57+,58-,59+,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85-,86+,87-,88+,92-,93-,94+/m1/s1",LEZUQRIZTZAAJO,RXJPGOFYSA,N,Ganglioside GT2 (d18:0/22:1(13Z)),LEZUQRIZTZAAJO-RXJPGOFYSA-N
HMDB12031,2037.11331552,C95H168N4O42,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C95H168N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-69(115)99-58(59(110)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)52-130-88-79(122)78(121)81(67(50-104)132-88)134-89-80(123)86(82(68(51-105)133-89)135-87-57(42-53(3)106)73(116)75(118)64(47-101)131-87)141-95(92(128)129)45-62(113)72(98-56(6)109)85(140-95)77(120)66(49-103)137-94(91(126)127)44-61(112)71(97-55(5)108)84(139-94)76(119)65(48-102)136-93(90(124)125)43-60(111)70(96-54(4)107)83(138-93)74(117)63(114)46-100/h57-68,70-89,100-105,110-114,116-123H,7-52H2,1-6H3,(H,96,107)(H,97,108)(H,98,109)(H,99,115)(H,124,125)(H,126,127)(H,128,129)/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,70-,71-,72-,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,93-,94-,95+/m1/s1",NQKAPANTZYMMJG,JKNXPPOTSA,N,Ganglioside GT2 (d18:0/23:0),NQKAPANTZYMMJG-JKNXPPOTSA-N
HMDB12032,2051.128965584,C96H170N4O42,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C96H170N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(116)100-59(60(111)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-131-89-80(123)79(122)82(68(51-105)133-89)135-90-81(124)87(83(69(52-106)134-90)136-88-58(43-54(3)107)74(117)76(119)65(48-102)132-88)142-96(93(129)130)46-63(114)73(99-57(6)110)86(141-96)78(121)67(50-104)138-95(92(127)128)45-62(113)72(98-56(5)109)85(140-95)77(120)66(49-103)137-94(91(125)126)44-61(112)71(97-55(4)108)84(139-94)75(118)64(115)47-101/h58-69,71-90,101-106,111-115,117-124H,7-53H2,1-6H3,(H,97,108)(H,98,109)(H,99,110)(H,100,116)(H,125,126)(H,127,128)(H,129,130)/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87-,88+,89-,90+,94-,95-,96+/m1/s1",ZIHPECXGZKONJB,XAJUQGRYSA,N,Ganglioside GT2 (d18:0/24:0),ZIHPECXGZKONJB-XAJUQGRYSA-N
HMDB12033,2049.11331552,C96H168N4O42,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C96H168N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(116)100-59(60(111)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-131-89-80(123)79(122)82(68(51-105)133-89)135-90-81(124)87(83(69(52-106)134-90)136-88-58(43-54(3)107)74(117)76(119)65(48-102)132-88)142-96(93(129)130)46-63(114)73(99-57(6)110)86(141-96)78(121)67(50-104)138-95(92(127)128)45-62(113)72(98-56(5)109)85(140-95)77(120)66(49-103)137-94(91(125)126)44-61(112)71(97-55(4)108)84(139-94)75(118)64(115)47-101/h21-22,58-69,71-90,101-106,111-115,117-124H,7-20,23-53H2,1-6H3,(H,97,108)(H,98,109)(H,99,110)(H,100,116)(H,125,126)(H,127,128)(H,129,130)/b22-21-/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87-,88+,89-,90+,94-,95-,96+/m1/s1",HJLJMZDNJZEHFU,XGQAVTQPSA,N,Ganglioside GT2 (d18:0/24:1(15Z)),HJLJMZDNJZEHFU-XGQAVTQPSA-N
HMDB12034,2065.144615648,C97H172N4O42,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C97H172N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-71(117)101-60(61(112)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)54-132-90-81(124)80(123)83(69(52-106)134-90)136-91-82(125)88(84(70(53-107)135-91)137-89-59(44-55(3)108)75(118)77(120)66(49-103)133-89)143-97(94(130)131)47-64(115)74(100-58(6)111)87(142-97)79(122)68(51-105)139-96(93(128)129)46-63(114)73(99-57(5)110)86(141-96)78(121)67(50-104)138-95(92(126)127)45-62(113)72(98-56(4)109)85(140-95)76(119)65(116)48-102/h59-70,72-91,102-107,112-116,118-125H,7-54H2,1-6H3,(H,98,109)(H,99,110)(H,100,111)(H,101,117)(H,126,127)(H,128,129)(H,130,131)/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76-,77+,78-,79-,80-,81-,82-,83-,84+,85?,86?,87?,88-,89+,90-,91+,95-,96-,97+/m1/s1",WBSYAWRUZWUWAI,OEECYSFZSA,N,Ganglioside GT2 (d18:0/25:0),WBSYAWRUZWUWAI-OEECYSFZSA-N
HMDB12035,2079.160265712,C98H174N4O42,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C98H174N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(118)102-61(62(113)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-133-91-82(125)81(124)84(70(53-107)135-91)137-92-83(126)89(85(71(54-108)136-92)138-90-60(45-56(3)109)76(119)78(121)67(50-104)134-90)144-98(95(131)132)48-65(116)75(101-59(6)112)88(143-98)80(123)69(52-106)140-97(94(129)130)47-64(115)74(100-58(5)111)87(142-97)79(122)68(51-105)139-96(93(127)128)46-63(114)73(99-57(4)110)86(141-96)77(120)66(117)49-103/h60-71,73-92,103-108,113-117,119-126H,7-55H2,1-6H3,(H,99,110)(H,100,111)(H,101,112)(H,102,118)(H,127,128)(H,129,130)(H,131,132)/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89-,90+,91-,92+,96-,97-,98+/m1/s1",SAHZQJAHPRCGKV,OPGDSLMSSA,N,Ganglioside GT2 (d18:0/26:0),SAHZQJAHPRCGKV-OPGDSLMSSA-N
HMDB12036,2077.144615648,C98H172N4O42,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C98H172N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(118)102-61(62(113)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-133-91-82(125)81(124)84(70(53-107)135-91)137-92-83(126)89(85(71(54-108)136-92)138-90-60(45-56(3)109)76(119)78(121)67(50-104)134-90)144-98(95(131)132)48-65(116)75(101-59(6)112)88(143-98)80(123)69(52-106)140-97(94(129)130)47-64(115)74(100-58(5)111)87(142-97)79(122)68(51-105)139-96(93(127)128)46-63(114)73(99-57(4)110)86(141-96)77(120)66(117)49-103/h21-22,60-71,73-92,103-108,113-117,119-126H,7-20,23-55H2,1-6H3,(H,99,110)(H,100,111)(H,101,112)(H,102,118)(H,127,128)(H,129,130)(H,131,132)/b22-21-/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89-,90+,91-,92+,96-,97-,98+/m1/s1",CXTLZMPDZVHUII,TVMDAYAPSA,N,Ganglioside GT2 (d18:0/26:1(17Z)),CXTLZMPDZVHUII-TVMDAYAPSA-N
HMDB12037,1880.925514752,C84H144N4O42,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C84H144N4O42/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-48(99)47(88-58(104)30-28-26-24-21-16-14-12-10-8-2)41-119-77-68(111)67(110)70(56(39-93)121-77)123-78-69(112)75(71(57(40-94)122-78)124-76-46(31-42(3)95)62(105)64(107)53(36-90)120-76)130-84(81(117)118)34-51(102)61(87-45(6)98)74(129-84)66(109)55(38-92)126-83(80(115)116)33-50(101)60(86-44(5)97)73(128-83)65(108)54(37-91)125-82(79(113)114)32-49(100)59(85-43(4)96)72(127-82)63(106)52(103)35-89/h27,29,46-57,59-78,89-94,99-103,105-112H,7-26,28,30-41H2,1-6H3,(H,85,96)(H,86,97)(H,87,98)(H,88,104)(H,113,114)(H,115,116)(H,117,118)/b29-27+/t46-,47+,48-,49+,50+,51+,52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,70-,71+,72?,73?,74?,75-,76+,77-,78+,82-,83-,84+/m1/s1",CKWDVTWFZPCGNS,ZVXOHNBMSA,N,Ganglioside GT2 (d18:1/12:0),CKWDVTWFZPCGNS-ZVXOHNBMSA-N
HMDB12038,1908.95681488,C86H148N4O42,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C86H148N4O42/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-50(101)49(90-60(106)32-30-28-26-24-21-18-16-14-12-10-8-2)43-121-79-70(113)69(112)72(58(41-95)123-79)125-80-71(114)77(73(59(42-96)124-80)126-78-48(33-44(3)97)64(107)66(109)55(38-92)122-78)132-86(83(119)120)36-53(104)63(89-47(6)100)76(131-86)68(111)57(40-94)128-85(82(117)118)35-52(103)62(88-46(5)99)75(130-85)67(110)56(39-93)127-84(81(115)116)34-51(102)61(87-45(4)98)74(129-84)65(108)54(105)37-91/h29,31,48-59,61-80,91-96,101-105,107-114H,7-28,30,32-43H2,1-6H3,(H,87,98)(H,88,99)(H,89,100)(H,90,106)(H,115,116)(H,117,118)(H,119,120)/b31-29+/t48-,49+,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76?,77-,78+,79-,80+,84-,85-,86+/m1/s1",CXIPYVKKEZGSTG,ATMAGAQZSA,N,Ganglioside GT2 (d18:1/14:0),CXIPYVKKEZGSTG-ATMAGAQZSA-N
HMDB12039,1936.988115008,C88H152N4O42,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C88H152N4O42/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(103)51(92-62(108)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-123-81-72(115)71(114)74(60(43-97)125-81)127-82-73(116)79(75(61(44-98)126-82)128-80-50(35-46(3)99)66(109)68(111)57(40-94)124-80)134-88(85(121)122)38-55(106)65(91-49(6)102)78(133-88)70(113)59(42-96)130-87(84(119)120)37-54(105)64(90-48(5)101)77(132-87)69(112)58(41-95)129-86(83(117)118)36-53(104)63(89-47(4)100)76(131-86)67(110)56(107)39-93/h31,33,50-61,63-82,93-98,103-107,109-116H,7-30,32,34-45H2,1-6H3,(H,89,100)(H,90,101)(H,91,102)(H,92,108)(H,117,118)(H,119,120)(H,121,122)/b33-31+/t50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74-,75+,76?,77?,78?,79-,80+,81-,82+,86-,87-,88+/m1/s1",GWXCWXJFJNAEPC,IRAMQKHQSA,N,Ganglioside GT2 (d18:1/16:0),GWXCWXJFJNAEPC-IRAMQKHQSA-N
HMDB12040,1965.019415136,C90H156N4O42,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C90H156N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h33,35,52-63,65-84,95-100,105-109,111-118H,7-32,34,36-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/b35-33+/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1",XUXNJXVKBOUSKQ,ZOXPZUJBSA,N,Ganglioside GT2 (d18:1/18:0),XUXNJXVKBOUSKQ-ZOXPZUJBSA-N
HMDB12041,1963.003765072,C90H154N4O42,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C90H154N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h17,19,33,35,52-63,65-84,95-100,105-109,111-118H,7-16,18,20-32,34,36-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/b19-17-,35-33+/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1",CLNUHLBTYWIOBD,DZOHYVGASA,N,Ganglioside GT2 (d18:1/18:1(11Z)),CLNUHLBTYWIOBD-DZOHYVGASA-N
HMDB12042,1963.003765072,C90H154N4O42,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C90H154N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h21-22,33,35,52-63,65-84,95-100,105-109,111-118H,7-20,23-32,34,36-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/b22-21-,35-33+/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1",MAPUJQBLKRIDLU,USKZPDSVSA,N,Ganglioside GT2 (d18:1/18:1(9Z)),MAPUJQBLKRIDLU-USKZPDSVSA-N
HMDB12043,1993.050715264,C92H160N4O42,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C92H160N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-66(112)96-55(56(107)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)49-127-85-76(119)75(118)78(64(47-101)129-85)131-86-77(120)83(79(65(48-102)130-86)132-84-54(39-50(3)103)70(113)72(115)61(44-98)128-84)138-92(89(125)126)42-59(110)69(95-53(6)106)82(137-92)74(117)63(46-100)134-91(88(123)124)41-58(109)68(94-52(5)105)81(136-91)73(116)62(45-99)133-90(87(121)122)40-57(108)67(93-51(4)104)80(135-90)71(114)60(111)43-97/h35,37,54-65,67-86,97-102,107-111,113-120H,7-34,36,38-49H2,1-6H3,(H,93,104)(H,94,105)(H,95,106)(H,96,112)(H,121,122)(H,123,124)(H,125,126)/b37-35+/t54-,55+,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82?,83-,84+,85-,86+,90-,91-,92+/m1/s1",CHRBPSBIOXUTLA,YBUOZEFUSA,N,Ganglioside GT2 (d18:1/20:0),CHRBPSBIOXUTLA-YBUOZEFUSA-N
HMDB12044,2021.082015392,C94H164N4O42,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C94H164N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(114)98-57(58(109)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-129-87-78(121)77(120)80(66(49-103)131-87)133-88-79(122)85(81(67(50-104)132-88)134-86-56(41-52(3)105)72(115)74(117)63(46-100)130-86)140-94(91(127)128)44-61(112)71(97-55(6)108)84(139-94)76(119)65(48-102)136-93(90(125)126)43-60(111)70(96-54(5)107)83(138-93)75(118)64(47-101)135-92(89(123)124)42-59(110)69(95-53(4)106)82(137-92)73(116)62(113)45-99/h37,39,56-67,69-88,99-104,109-113,115-122H,7-36,38,40-51H2,1-6H3,(H,95,106)(H,96,107)(H,97,108)(H,98,114)(H,123,124)(H,125,126)(H,127,128)/b39-37+/t56-,57+,58-,59+,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85-,86+,87-,88+,92-,93-,94+/m1/s1",NCLVXQUNPSTIDF,GPFBZZAFSA,N,Ganglioside GT2 (d18:1/22:0),NCLVXQUNPSTIDF-GPFBZZAFSA-N
HMDB12045,2019.066365328,C94H162N4O42,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C94H162N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(114)98-57(58(109)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-129-87-78(121)77(120)80(66(49-103)131-87)133-88-79(122)85(81(67(50-104)132-88)134-86-56(41-52(3)105)72(115)74(117)63(46-100)130-86)140-94(91(127)128)44-61(112)71(97-55(6)108)84(139-94)76(119)65(48-102)136-93(90(125)126)43-60(111)70(96-54(5)107)83(138-93)75(118)64(47-101)135-92(89(123)124)42-59(110)69(95-53(4)106)82(137-92)73(116)62(113)45-99/h21-22,37,39,56-67,69-88,99-104,109-113,115-122H,7-20,23-36,38,40-51H2,1-6H3,(H,95,106)(H,96,107)(H,97,108)(H,98,114)(H,123,124)(H,125,126)(H,127,128)/b22-21-,39-37+/t56-,57+,58-,59+,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85-,86+,87-,88+,92-,93-,94+/m1/s1",VTIMJSPYDHZGEK,QCCLTYJESA,N,Ganglioside GT2 (d18:1/22:1(13Z)),VTIMJSPYDHZGEK-QCCLTYJESA-N
HMDB12046,2035.097665456,C95H166N4O42,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C95H166N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-69(115)99-58(59(110)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)52-130-88-79(122)78(121)81(67(50-104)132-88)134-89-80(123)86(82(68(51-105)133-89)135-87-57(42-53(3)106)73(116)75(118)64(47-101)131-87)141-95(92(128)129)45-62(113)72(98-56(6)109)85(140-95)77(120)66(49-103)137-94(91(126)127)44-61(112)71(97-55(5)108)84(139-94)76(119)65(48-102)136-93(90(124)125)43-60(111)70(96-54(4)107)83(138-93)74(117)63(114)46-100/h38,40,57-68,70-89,100-105,110-114,116-123H,7-37,39,41-52H2,1-6H3,(H,96,107)(H,97,108)(H,98,109)(H,99,115)(H,124,125)(H,126,127)(H,128,129)/b40-38+/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,70-,71-,72-,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,93-,94-,95+/m1/s1",OKFNRRKYNNLVHN,FGNREWQUSA,N,Ganglioside GT2 (d18:1/23:0),OKFNRRKYNNLVHN-FGNREWQUSA-N
HMDB12047,2049.11331552,C96H168N4O42,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C96H168N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(116)100-59(60(111)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-131-89-80(123)79(122)82(68(51-105)133-89)135-90-81(124)87(83(69(52-106)134-90)136-88-58(43-54(3)107)74(117)76(119)65(48-102)132-88)142-96(93(129)130)46-63(114)73(99-57(6)110)86(141-96)78(121)67(50-104)138-95(92(127)128)45-62(113)72(98-56(5)109)85(140-95)77(120)66(49-103)137-94(91(125)126)44-61(112)71(97-55(4)108)84(139-94)75(118)64(115)47-101/h39,41,58-69,71-90,101-106,111-115,117-124H,7-38,40,42-53H2,1-6H3,(H,97,108)(H,98,109)(H,99,110)(H,100,116)(H,125,126)(H,127,128)(H,129,130)/b41-39+/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87-,88+,89-,90+,94-,95-,96+/m1/s1",ROPTZEMBZSOFJO,RAKZKONHSA,N,Ganglioside GT2 (d18:1/24:0),ROPTZEMBZSOFJO-RAKZKONHSA-N
HMDB12048,2047.097665456,C96H166N4O42,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C96H166N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(116)100-59(60(111)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-131-89-80(123)79(122)82(68(51-105)133-89)135-90-81(124)87(83(69(52-106)134-90)136-88-58(43-54(3)107)74(117)76(119)65(48-102)132-88)142-96(93(129)130)46-63(114)73(99-57(6)110)86(141-96)78(121)67(50-104)138-95(92(127)128)45-62(113)72(98-56(5)109)85(140-95)77(120)66(49-103)137-94(91(125)126)44-61(112)71(97-55(4)108)84(139-94)75(118)64(115)47-101/h21-22,39,41,58-69,71-90,101-106,111-115,117-124H,7-20,23-38,40,42-53H2,1-6H3,(H,97,108)(H,98,109)(H,99,110)(H,100,116)(H,125,126)(H,127,128)(H,129,130)/b22-21-,41-39+/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87-,88+,89-,90+,94-,95-,96+/m1/s1",UOLRWXAEDHDFAY,XDKSZJFMSA,N,Ganglioside GT2 (d18:1/24:1(15Z)),UOLRWXAEDHDFAY-XDKSZJFMSA-N
HMDB12049,2063.128965584,C97H170N4O42,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C97H170N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-71(117)101-60(61(112)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)54-132-90-81(124)80(123)83(69(52-106)134-90)136-91-82(125)88(84(70(53-107)135-91)137-89-59(44-55(3)108)75(118)77(120)66(49-103)133-89)143-97(94(130)131)47-64(115)74(100-58(6)111)87(142-97)79(122)68(51-105)139-96(93(128)129)46-63(114)73(99-57(5)110)86(141-96)78(121)67(50-104)138-95(92(126)127)45-62(113)72(98-56(4)109)85(140-95)76(119)65(116)48-102/h40,42,59-70,72-91,102-107,112-116,118-125H,7-39,41,43-54H2,1-6H3,(H,98,109)(H,99,110)(H,100,111)(H,101,117)(H,126,127)(H,128,129)(H,130,131)/b42-40+/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76-,77+,78-,79-,80-,81-,82-,83-,84+,85?,86?,87?,88-,89+,90-,91+,95-,96-,97+/m1/s1",NRLFQIRXANZWGK,WFSYZOMNSA,N,Ganglioside GT2 (d18:1/25:0),NRLFQIRXANZWGK-WFSYZOMNSA-N
HMDB12050,2077.144615648,C98H172N4O42,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C98H172N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(118)102-61(62(113)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-133-91-82(125)81(124)84(70(53-107)135-91)137-92-83(126)89(85(71(54-108)136-92)138-90-60(45-56(3)109)76(119)78(121)67(50-104)134-90)144-98(95(131)132)48-65(116)75(101-59(6)112)88(143-98)80(123)69(52-106)140-97(94(129)130)47-64(115)74(100-58(5)111)87(142-97)79(122)68(51-105)139-96(93(127)128)46-63(114)73(99-57(4)110)86(141-96)77(120)66(117)49-103/h41,43,60-71,73-92,103-108,113-117,119-126H,7-40,42,44-55H2,1-6H3,(H,99,110)(H,100,111)(H,101,112)(H,102,118)(H,127,128)(H,129,130)(H,131,132)/b43-41+/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89-,90+,91-,92+,96-,97-,98+/m1/s1",TVRZXCILWOMSRO,DVGDKVEESA,N,Ganglioside GT2 (d18:1/26:0),TVRZXCILWOMSRO-DVGDKVEESA-N
HMDB12051,2075.128965584,C98H170N4O42,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C98H170N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(118)102-61(62(113)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-133-91-82(125)81(124)84(70(53-107)135-91)137-92-83(126)89(85(71(54-108)136-92)138-90-60(45-56(3)109)76(119)78(121)67(50-104)134-90)144-98(95(131)132)48-65(116)75(101-59(6)112)88(143-98)80(123)69(52-106)140-97(94(129)130)47-64(115)74(100-58(5)111)87(142-97)79(122)68(51-105)139-96(93(127)128)46-63(114)73(99-57(4)110)86(141-96)77(120)66(117)49-103/h21-22,41,43,60-71,73-92,103-108,113-117,119-126H,7-20,23-40,42,44-55H2,1-6H3,(H,99,110)(H,100,111)(H,101,112)(H,102,118)(H,127,128)(H,129,130)(H,131,132)/b22-21-,43-41+/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89-,90+,91-,92+,96-,97-,98+/m1/s1",SOOFOPKJHSXREC,LMFMSFKQSA,N,Ganglioside GT2 (d18:1/26:1(17Z)),SOOFOPKJHSXREC-LMFMSFKQSA-N
HMDB12052,1680.857041258,C75H132N4O37,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C75H132N4O37/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-43(88)42(79-52(93)29-27-25-23-20-15-13-11-9-7-2)38-107-68-61(99)60(98)63(51(37-84)109-68)110-69-62(100)67(57(95)48(34-81)108-69)116-75(72(105)106)32-46(91)55(78-41(5)87)66(115-75)59(97)50(36-83)112-74(71(103)104)31-45(90)54(77-40(4)86)65(114-74)58(96)49(35-82)111-73(70(101)102)30-44(89)53(76-39(3)85)64(113-73)56(94)47(92)33-80/h42-51,53-69,80-84,88-92,94-100H,6-38H2,1-5H3,(H,76,85)(H,77,86)(H,78,87)(H,79,93)(H,101,102)(H,103,104)(H,105,106)/t42-,43+,44-,45-,46-,47+,48+,49+,50+,51+,53+,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64?,65?,66?,67-,68+,69-,73+,74+,75-/m0/s1",ORLGLWLISKUEHS,JMNXZLRVSA,N,Ganglioside GT3 (d18:0/12:0),ORLGLWLISKUEHS-JMNXZLRVSA-N
HMDB12053,1708.888341386,C77H136N4O37,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C77H136N4O37/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-45(90)44(81-54(95)31-29-27-25-23-20-17-15-13-11-9-7-2)40-109-70-63(101)62(100)65(53(39-86)111-70)112-71-64(102)69(59(97)50(36-83)110-71)118-77(74(107)108)34-48(93)57(80-43(5)89)68(117-77)61(99)52(38-85)114-76(73(105)106)33-47(92)56(79-42(4)88)67(116-76)60(98)51(37-84)113-75(72(103)104)32-46(91)55(78-41(3)87)66(115-75)58(96)49(94)35-82/h44-53,55-71,82-86,90-94,96-102H,6-40H2,1-5H3,(H,78,87)(H,79,88)(H,80,89)(H,81,95)(H,103,104)(H,105,106)(H,107,108)/t44-,45+,46-,47-,48-,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60+,61+,62+,63+,64+,65+,66?,67?,68?,69-,70+,71-,75+,76+,77-/m0/s1",WEDQXORSDFFRHR,RBXQFDIUSA,N,Ganglioside GT3 (d18:0/14:0),WEDQXORSDFFRHR-RBXQFDIUSA-N
HMDB12054,1736.919641514,C79H140N4O37,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H140N4O37/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(92)46(83-56(97)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-111-72-65(103)64(102)67(55(41-88)113-72)114-73-66(104)71(61(99)52(38-85)112-73)120-79(76(109)110)36-50(95)59(82-45(5)91)70(119-79)63(101)54(40-87)116-78(75(107)108)35-49(94)58(81-44(4)90)69(118-78)62(100)53(39-86)115-77(74(105)106)34-48(93)57(80-43(3)89)68(117-77)60(98)51(96)37-84/h46-55,57-73,84-88,92-96,98-104H,6-42H2,1-5H3,(H,80,89)(H,81,90)(H,82,91)(H,83,97)(H,105,106)(H,107,108)(H,109,110)/t46-,47+,48-,49-,50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67+,68?,69?,70?,71-,72+,73-,77+,78+,79-/m0/s1",PCLUABSPCQOPJZ,METACCFBSA,N,Ganglioside GT3 (d18:0/16:0),PCLUABSPCQOPJZ-METACCFBSA-N
HMDB12055,1764.950941642,C81H144N4O37,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C81H144N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h48-57,59-75,86-90,94-98,100-106H,6-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1",SBPYLYDRPWUGQA,WFYCZZSCSA,N,Ganglioside GT3 (d18:0/18:0),SBPYLYDRPWUGQA-WFYCZZSCSA-N
HMDB12056,1762.935291578,C81H142N4O37,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H142N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h16,18,48-57,59-75,86-90,94-98,100-106H,6-15,17,19-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/b18-16-/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1",ISWYYMKVFVQNRT,HDBBJVPGSA,N,Ganglioside GT3 (d18:0/18:1(11Z)),ISWYYMKVFVQNRT-HDBBJVPGSA-N
HMDB12057,1762.935291578,C81H142N4O37,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C81H142N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h20-21,48-57,59-75,86-90,94-98,100-106H,6-19,22-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/b21-20-/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1",MFGCVLNBGVJHKU,HGYODCPMSA,N,Ganglioside GT3 (d18:0/18:1(9Z)),MFGCVLNBGVJHKU-HGYODCPMSA-N
HMDB12058,1792.98224177,C83H148N4O37,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C83H148N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(101)87-50(51(96)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-115-76-69(107)68(106)71(59(45-92)117-76)118-77-70(108)75(65(103)56(42-89)116-77)124-83(80(113)114)40-54(99)63(86-49(5)95)74(123-83)67(105)58(44-91)120-82(79(111)112)39-53(98)62(85-48(4)94)73(122-82)66(104)57(43-90)119-81(78(109)110)38-52(97)61(84-47(3)93)72(121-81)64(102)55(100)41-88/h50-59,61-77,88-92,96-100,102-108H,6-46H2,1-5H3,(H,84,93)(H,85,94)(H,86,95)(H,87,101)(H,109,110)(H,111,112)(H,113,114)/t50-,51+,52-,53-,54-,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+,71+,72?,73?,74?,75-,76+,77-,81+,82+,83-/m0/s1",WPLGROLHHUACIW,ULIFDVDXSA,N,Ganglioside GT3 (d18:0/20:0),WPLGROLHHUACIW-ULIFDVDXSA-N
HMDB12059,1821.013541898,C85H152N4O37,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C85H152N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(103)89-52(53(98)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-117-78-71(109)70(108)73(61(47-94)119-78)120-79-72(110)77(67(105)58(44-91)118-79)126-85(82(115)116)42-56(101)65(88-51(5)97)76(125-85)69(107)60(46-93)122-84(81(113)114)41-55(100)64(87-50(4)96)75(124-84)68(106)59(45-92)121-83(80(111)112)40-54(99)63(86-49(3)95)74(123-83)66(104)57(102)43-90/h52-61,63-79,90-94,98-102,104-110H,6-48H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,103)(H,111,112)(H,113,114)(H,115,116)/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74?,75?,76?,77-,78+,79-,83+,84+,85-/m0/s1",OZTOTZILCNCFJX,DDPFEIPCSA,N,Ganglioside GT3 (d18:0/22:0),OZTOTZILCNCFJX-DDPFEIPCSA-N
HMDB12060,1818.997891834,C85H150N4O37,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H150N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(103)89-52(53(98)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-117-78-71(109)70(108)73(61(47-94)119-78)120-79-72(110)77(67(105)58(44-91)118-79)126-85(82(115)116)42-56(101)65(88-51(5)97)76(125-85)69(107)60(46-93)122-84(81(113)114)41-55(100)64(87-50(4)96)75(124-84)68(106)59(45-92)121-83(80(111)112)40-54(99)63(86-49(3)95)74(123-83)66(104)57(102)43-90/h20-21,52-61,63-79,90-94,98-102,104-110H,6-19,22-48H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,103)(H,111,112)(H,113,114)(H,115,116)/b21-20-/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74?,75?,76?,77-,78+,79-,83+,84+,85-/m0/s1",ZRZLPBMRQBPBKQ,DDDAAJTGSA,N,Ganglioside GT3 (d18:0/22:1(13Z)),ZRZLPBMRQBPBKQ-DDDAAJTGSA-N
HMDB12061,1835.029191962,C86H154N4O37,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C86H154N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(104)90-53(54(99)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)49-118-79-72(110)71(109)74(62(48-95)120-79)121-80-73(111)78(68(106)59(45-92)119-80)127-86(83(116)117)43-57(102)66(89-52(5)98)77(126-86)70(108)61(47-94)123-85(82(114)115)42-56(101)65(88-51(4)97)76(125-85)69(107)60(46-93)122-84(81(112)113)41-55(100)64(87-50(3)96)75(124-84)67(105)58(103)44-91/h53-62,64-80,91-95,99-103,105-111H,6-49H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,112,113)(H,114,115)(H,116,117)/t53-,54+,55-,56-,57-,58+,59+,60+,61+,62+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74+,75?,76?,77?,78-,79+,80-,84+,85+,86-/m0/s1",MBQIBYOPNBXZNX,XEVPPKDKSA,N,Ganglioside GT3 (d18:0/23:0),MBQIBYOPNBXZNX-XEVPPKDKSA-N
HMDB12062,1849.044842026,C87H156N4O37,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C87H156N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(105)91-54(55(100)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-119-80-73(111)72(110)75(63(49-96)121-80)122-81-74(112)79(69(107)60(46-93)120-81)128-87(84(117)118)44-58(103)67(90-53(5)99)78(127-87)71(109)62(48-95)124-86(83(115)116)43-57(102)66(89-52(4)98)77(126-86)70(108)61(47-94)123-85(82(113)114)42-56(101)65(88-51(3)97)76(125-85)68(106)59(104)45-92/h54-63,65-81,92-96,100-104,106-112H,6-50H2,1-5H3,(H,88,97)(H,89,98)(H,90,99)(H,91,105)(H,113,114)(H,115,116)(H,117,118)/t54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76?,77?,78?,79-,80+,81-,85+,86+,87-/m0/s1",KRFGCSAIXZCOOX,RAFZBJLRSA,N,Ganglioside GT3 (d18:0/24:0),KRFGCSAIXZCOOX-RAFZBJLRSA-N
HMDB12063,1847.029191962,C87H154N4O37,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C87H154N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(105)91-54(55(100)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-119-80-73(111)72(110)75(63(49-96)121-80)122-81-74(112)79(69(107)60(46-93)120-81)128-87(84(117)118)44-58(103)67(90-53(5)99)78(127-87)71(109)62(48-95)124-86(83(115)116)43-57(102)66(89-52(4)98)77(126-86)70(108)61(47-94)123-85(82(113)114)42-56(101)65(88-51(3)97)76(125-85)68(106)59(104)45-92/h20-21,54-63,65-81,92-96,100-104,106-112H,6-19,22-50H2,1-5H3,(H,88,97)(H,89,98)(H,90,99)(H,91,105)(H,113,114)(H,115,116)(H,117,118)/b21-20-/t54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76?,77?,78?,79-,80+,81-,85+,86+,87-/m0/s1",DGIOBPYUUNJIKO,MQJUXTSSSA,N,Ganglioside GT3 (d18:0/24:1(15Z)),DGIOBPYUUNJIKO-MQJUXTSSSA-N
HMDB12064,1863.06049209,C88H158N4O37,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C88H158N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-65(106)92-55(56(101)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)51-120-81-74(112)73(111)76(64(50-97)122-81)123-82-75(113)80(70(108)61(47-94)121-82)129-88(85(118)119)45-59(104)68(91-54(5)100)79(128-88)72(110)63(49-96)125-87(84(116)117)44-58(103)67(90-53(4)99)78(127-87)71(109)62(48-95)124-86(83(114)115)43-57(102)66(89-52(3)98)77(126-86)69(107)60(105)46-93/h55-64,66-82,93-97,101-105,107-113H,6-51H2,1-5H3,(H,89,98)(H,90,99)(H,91,100)(H,92,106)(H,114,115)(H,116,117)(H,118,119)/t55-,56+,57-,58-,59-,60+,61+,62+,63+,64+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+,76+,77?,78?,79?,80-,81+,82-,86+,87+,88-/m0/s1",IDGPUEVKFMQEPF,VCRXUHMQSA,N,Ganglioside GT3 (d18:0/25:0),IDGPUEVKFMQEPF-VCRXUHMQSA-N
HMDB12065,1877.076142154,C89H160N4O37,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C89H160N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(107)93-56(57(102)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-121-82-75(113)74(112)77(65(51-98)123-82)124-83-76(114)81(71(109)62(48-95)122-83)130-89(86(119)120)46-60(105)69(92-55(5)101)80(129-89)73(111)64(50-97)126-88(85(117)118)45-59(104)68(91-54(4)100)79(128-88)72(110)63(49-96)125-87(84(115)116)44-58(103)67(90-53(3)99)78(127-87)70(108)61(106)47-94/h56-65,67-83,94-98,102-106,108-114H,6-52H2,1-5H3,(H,90,99)(H,91,100)(H,92,101)(H,93,107)(H,115,116)(H,117,118)(H,119,120)/t56-,57+,58-,59-,60-,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76+,77+,78?,79?,80?,81-,82+,83-,87+,88+,89-/m0/s1",KCCVDWWYQWAAED,WOHKMTBCSA,N,Ganglioside GT3 (d18:0/26:0),KCCVDWWYQWAAED-WOHKMTBCSA-N
HMDB12066,1875.06049209,C89H158N4O37,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H158N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(107)93-56(57(102)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-121-82-75(113)74(112)77(65(51-98)123-82)124-83-76(114)81(71(109)62(48-95)122-83)130-89(86(119)120)46-60(105)69(92-55(5)101)80(129-89)73(111)64(50-97)126-88(85(117)118)45-59(104)68(91-54(4)100)79(128-88)72(110)63(49-96)125-87(84(115)116)44-58(103)67(90-53(3)99)78(127-87)70(108)61(106)47-94/h20-21,56-65,67-83,94-98,102-106,108-114H,6-19,22-52H2,1-5H3,(H,90,99)(H,91,100)(H,92,101)(H,93,107)(H,115,116)(H,117,118)(H,119,120)/b21-20-/t56-,57+,58-,59-,60-,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76+,77+,78?,79?,80?,81-,82+,83-,87+,88+,89-/m0/s1",GUHQPAYKVOZPHW,IOZVNKMYSA,N,Ganglioside GT3 (d18:0/26:1(17Z)),GUHQPAYKVOZPHW-IOZVNKMYSA-N
HMDB12067,1678.841391194,C75H130N4O37,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C75H130N4O37/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-43(88)42(79-52(93)29-27-25-23-20-15-13-11-9-7-2)38-107-68-61(99)60(98)63(51(37-84)109-68)110-69-62(100)67(57(95)48(34-81)108-69)116-75(72(105)106)32-46(91)55(78-41(5)87)66(115-75)59(97)50(36-83)112-74(71(103)104)31-45(90)54(77-40(4)86)65(114-74)58(96)49(35-82)111-73(70(101)102)30-44(89)53(76-39(3)85)64(113-73)56(94)47(92)33-80/h26,28,42-51,53-69,80-84,88-92,94-100H,6-25,27,29-38H2,1-5H3,(H,76,85)(H,77,86)(H,78,87)(H,79,93)(H,101,102)(H,103,104)(H,105,106)/b28-26+/t42-,43+,44-,45-,46-,47+,48+,49+,50+,51+,53+,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64?,65?,66?,67-,68+,69-,73+,74+,75-/m0/s1",LQOOKDUBWRBVMT,SPSRRPSGSA,N,Ganglioside GT3 (d18:1/12:0),LQOOKDUBWRBVMT-SPSRRPSGSA-N
HMDB12068,1706.872691322,C77H134N4O37,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C77H134N4O37/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-45(90)44(81-54(95)31-29-27-25-23-20-17-15-13-11-9-7-2)40-109-70-63(101)62(100)65(53(39-86)111-70)112-71-64(102)69(59(97)50(36-83)110-71)118-77(74(107)108)34-48(93)57(80-43(5)89)68(117-77)61(99)52(38-85)114-76(73(105)106)33-47(92)56(79-42(4)88)67(116-76)60(98)51(37-84)113-75(72(103)104)32-46(91)55(78-41(3)87)66(115-75)58(96)49(94)35-82/h28,30,44-53,55-71,82-86,90-94,96-102H,6-27,29,31-40H2,1-5H3,(H,78,87)(H,79,88)(H,80,89)(H,81,95)(H,103,104)(H,105,106)(H,107,108)/b30-28+/t44-,45+,46-,47-,48-,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60+,61+,62+,63+,64+,65+,66?,67?,68?,69-,70+,71-,75+,76+,77-/m0/s1",GERUQPAWBZCUTA,VZAXZDPISA,N,Ganglioside GT3 (d18:1/14:0),GERUQPAWBZCUTA-VZAXZDPISA-N
HMDB12069,1734.90399145,C79H138N4O37,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C79H138N4O37/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(92)46(83-56(97)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-111-72-65(103)64(102)67(55(41-88)113-72)114-73-66(104)71(61(99)52(38-85)112-73)120-79(76(109)110)36-50(95)59(82-45(5)91)70(119-79)63(101)54(40-87)116-78(75(107)108)35-49(94)58(81-44(4)90)69(118-78)62(100)53(39-86)115-77(74(105)106)34-48(93)57(80-43(3)89)68(117-77)60(98)51(96)37-84/h30,32,46-55,57-73,84-88,92-96,98-104H,6-29,31,33-42H2,1-5H3,(H,80,89)(H,81,90)(H,82,91)(H,83,97)(H,105,106)(H,107,108)(H,109,110)/b32-30+/t46-,47+,48-,49-,50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67+,68?,69?,70?,71-,72+,73-,77+,78+,79-/m0/s1",PAPKCVKEZBFVFL,BBAOINFDSA,N,Ganglioside GT3 (d18:1/16:0),PAPKCVKEZBFVFL-BBAOINFDSA-N
HMDB12070,1762.935291578,C81H142N4O37,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C81H142N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h32,34,48-57,59-75,86-90,94-98,100-106H,6-31,33,35-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/b34-32+/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1",FGZOGZVPODURFG,REDHUSPLSA,N,Ganglioside GT3 (d18:1/18:0),FGZOGZVPODURFG-REDHUSPLSA-N
HMDB12071,1760.919641514,C81H140N4O37,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H140N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h16,18,32,34,48-57,59-75,86-90,94-98,100-106H,6-15,17,19-31,33,35-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/b18-16-,34-32+/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1",QCFVNZMQQSUXJA,NZUQNTMVSA,N,Ganglioside GT3 (d18:1/18:1(11Z)),QCFVNZMQQSUXJA-NZUQNTMVSA-N
HMDB12072,1760.919641514,C81H140N4O37,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C81H140N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h20-21,32,34,48-57,59-75,86-90,94-98,100-106H,6-19,22-31,33,35-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/b21-20-,34-32+/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1",WDYMKNDTXVCRME,PXJYMDPBSA,N,Ganglioside GT3 (d18:1/18:1(9Z)),WDYMKNDTXVCRME-PXJYMDPBSA-N
HMDB12073,1790.966591706,C83H146N4O37,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C83H146N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(101)87-50(51(96)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-115-76-69(107)68(106)71(59(45-92)117-76)118-77-70(108)75(65(103)56(42-89)116-77)124-83(80(113)114)40-54(99)63(86-49(5)95)74(123-83)67(105)58(44-91)120-82(79(111)112)39-53(98)62(85-48(4)94)73(122-82)66(104)57(43-90)119-81(78(109)110)38-52(97)61(84-47(3)93)72(121-81)64(102)55(100)41-88/h34,36,50-59,61-77,88-92,96-100,102-108H,6-33,35,37-46H2,1-5H3,(H,84,93)(H,85,94)(H,86,95)(H,87,101)(H,109,110)(H,111,112)(H,113,114)/b36-34+/t50-,51+,52-,53-,54-,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+,71+,72?,73?,74?,75-,76+,77-,81+,82+,83-/m0/s1",IJJDFAXZEWKYJD,RMPRYXFNSA,N,Ganglioside GT3 (d18:1/20:0),IJJDFAXZEWKYJD-RMPRYXFNSA-N
HMDB12074,1818.997891834,C85H150N4O37,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C85H150N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(103)89-52(53(98)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-117-78-71(109)70(108)73(61(47-94)119-78)120-79-72(110)77(67(105)58(44-91)118-79)126-85(82(115)116)42-56(101)65(88-51(5)97)76(125-85)69(107)60(46-93)122-84(81(113)114)41-55(100)64(87-50(4)96)75(124-84)68(106)59(45-92)121-83(80(111)112)40-54(99)63(86-49(3)95)74(123-83)66(104)57(102)43-90/h36,38,52-61,63-79,90-94,98-102,104-110H,6-35,37,39-48H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,103)(H,111,112)(H,113,114)(H,115,116)/b38-36+/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74?,75?,76?,77-,78+,79-,83+,84+,85-/m0/s1",RCIXMHNSBAIACB,MURYGNDUSA,N,Ganglioside GT3 (d18:1/22:0),RCIXMHNSBAIACB-MURYGNDUSA-N
HMDB12075,1816.98224177,C85H148N4O37,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H148N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(103)89-52(53(98)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-117-78-71(109)70(108)73(61(47-94)119-78)120-79-72(110)77(67(105)58(44-91)118-79)126-85(82(115)116)42-56(101)65(88-51(5)97)76(125-85)69(107)60(46-93)122-84(81(113)114)41-55(100)64(87-50(4)96)75(124-84)68(106)59(45-92)121-83(80(111)112)40-54(99)63(86-49(3)95)74(123-83)66(104)57(102)43-90/h20-21,36,38,52-61,63-79,90-94,98-102,104-110H,6-19,22-35,37,39-48H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,103)(H,111,112)(H,113,114)(H,115,116)/b21-20-,38-36+/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74?,75?,76?,77-,78+,79-,83+,84+,85-/m0/s1",AVNZYEQFTPZKMO,KMYAAYMFSA,N,Ganglioside GT3 (d18:1/22:1(13Z)),AVNZYEQFTPZKMO-KMYAAYMFSA-N
HMDB12076,1833.013541898,C86H152N4O37,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C86H152N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(104)90-53(54(99)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)49-118-79-72(110)71(109)74(62(48-95)120-79)121-80-73(111)78(68(106)59(45-92)119-80)127-86(83(116)117)43-57(102)66(89-52(5)98)77(126-86)70(108)61(47-94)123-85(82(114)115)42-56(101)65(88-51(4)97)76(125-85)69(107)60(46-93)122-84(81(112)113)41-55(100)64(87-50(3)96)75(124-84)67(105)58(103)44-91/h37,39,53-62,64-80,91-95,99-103,105-111H,6-36,38,40-49H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,112,113)(H,114,115)(H,116,117)/b39-37+/t53-,54+,55-,56-,57-,58+,59+,60+,61+,62+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74+,75?,76?,77?,78-,79+,80-,84+,85+,86-/m0/s1",LMMRZZVGCVJVQJ,DARFABGXSA,N,Ganglioside GT3 (d18:1/23:0),LMMRZZVGCVJVQJ-DARFABGXSA-N
HMDB12077,1847.029191962,C87H154N4O37,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C87H154N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(105)91-54(55(100)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-119-80-73(111)72(110)75(63(49-96)121-80)122-81-74(112)79(69(107)60(46-93)120-81)128-87(84(117)118)44-58(103)67(90-53(5)99)78(127-87)71(109)62(48-95)124-86(83(115)116)43-57(102)66(89-52(4)98)77(126-86)70(108)61(47-94)123-85(82(113)114)42-56(101)65(88-51(3)97)76(125-85)68(106)59(104)45-92/h38,40,54-63,65-81,92-96,100-104,106-112H,6-37,39,41-50H2,1-5H3,(H,88,97)(H,89,98)(H,90,99)(H,91,105)(H,113,114)(H,115,116)(H,117,118)/b40-38+/t54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76?,77?,78?,79-,80+,81-,85+,86+,87-/m0/s1",ICQZPJSNUVRBHH,GJUOYPBFSA,N,Ganglioside GT3 (d18:1/24:0),ICQZPJSNUVRBHH-GJUOYPBFSA-N
HMDB12078,1845.013541898,C87H152N4O37,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C87H152N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(105)91-54(55(100)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-119-80-73(111)72(110)75(63(49-96)121-80)122-81-74(112)79(69(107)60(46-93)120-81)128-87(84(117)118)44-58(103)67(90-53(5)99)78(127-87)71(109)62(48-95)124-86(83(115)116)43-57(102)66(89-52(4)98)77(126-86)70(108)61(47-94)123-85(82(113)114)42-56(101)65(88-51(3)97)76(125-85)68(106)59(104)45-92/h20-21,38,40,54-63,65-81,92-96,100-104,106-112H,6-19,22-37,39,41-50H2,1-5H3,(H,88,97)(H,89,98)(H,90,99)(H,91,105)(H,113,114)(H,115,116)(H,117,118)/b21-20-,40-38+/t54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76?,77?,78?,79-,80+,81-,85+,86+,87-/m0/s1",GCMXKWJDRUWXDV,YIFKXSFJSA,N,Ganglioside GT3 (d18:1/24:1(15Z)),GCMXKWJDRUWXDV-YIFKXSFJSA-N
HMDB12079,1861.044842026,C88H156N4O37,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C88H156N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-65(106)92-55(56(101)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)51-120-81-74(112)73(111)76(64(50-97)122-81)123-82-75(113)80(70(108)61(47-94)121-82)129-88(85(118)119)45-59(104)68(91-54(5)100)79(128-88)72(110)63(49-96)125-87(84(116)117)44-58(103)67(90-53(4)99)78(127-87)71(109)62(48-95)124-86(83(114)115)43-57(102)66(89-52(3)98)77(126-86)69(107)60(105)46-93/h39,41,55-64,66-82,93-97,101-105,107-113H,6-38,40,42-51H2,1-5H3,(H,89,98)(H,90,99)(H,91,100)(H,92,106)(H,114,115)(H,116,117)(H,118,119)/b41-39+/t55-,56+,57-,58-,59-,60+,61+,62+,63+,64+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+,76+,77?,78?,79?,80-,81+,82-,86+,87+,88-/m0/s1",MMMKIZLPSIPFTM,JSUCIDRTSA,N,Ganglioside GT3 (d18:1/25:0),MMMKIZLPSIPFTM-JSUCIDRTSA-N
HMDB12080,1875.06049209,C89H158N4O37,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C89H158N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(107)93-56(57(102)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-121-82-75(113)74(112)77(65(51-98)123-82)124-83-76(114)81(71(109)62(48-95)122-83)130-89(86(119)120)46-60(105)69(92-55(5)101)80(129-89)73(111)64(50-97)126-88(85(117)118)45-59(104)68(91-54(4)100)79(128-88)72(110)63(49-96)125-87(84(115)116)44-58(103)67(90-53(3)99)78(127-87)70(108)61(106)47-94/h40,42,56-65,67-83,94-98,102-106,108-114H,6-39,41,43-52H2,1-5H3,(H,90,99)(H,91,100)(H,92,101)(H,93,107)(H,115,116)(H,117,118)(H,119,120)/b42-40+/t56-,57+,58-,59-,60-,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76+,77+,78?,79?,80?,81-,82+,83-,87+,88+,89-/m0/s1",LEEUMACJUAATKX,REPMUHINSA,N,Ganglioside GT3 (d18:1/26:0),LEEUMACJUAATKX-REPMUHINSA-N
HMDB12081,1873.044842026,C89H156N4O37,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H156N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(107)93-56(57(102)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-121-82-75(113)74(112)77(65(51-98)123-82)124-83-76(114)81(71(109)62(48-95)122-83)130-89(86(119)120)46-60(105)69(92-55(5)101)80(129-89)73(111)64(50-97)126-88(85(117)118)45-59(104)68(91-54(4)100)79(128-88)72(110)63(49-96)125-87(84(115)116)44-58(103)67(90-53(3)99)78(127-87)70(108)61(106)47-94/h20-21,40,42,56-65,67-83,94-98,102-106,108-114H,6-19,22-39,41,43-52H2,1-5H3,(H,90,99)(H,91,100)(H,92,101)(H,93,107)(H,115,116)(H,117,118)(H,119,120)/b21-20-,42-40+/t56-,57+,58-,59-,60-,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76+,77+,78?,79?,80?,81-,82+,83-,87+,88+,89-/m0/s1",QPXTXCACGFCAKL,HNHHUQGDSA,N,Ganglioside GT3 (d18:1/26:1(17Z)),QPXTXCACGFCAKL-HNHHUQGDSA-N
HMDB12082,466.353559264,C23H51N2O5P,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C23H51N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h22-23,26H,5-21,24H2,1-4H3/t22-,23+/m0/s1",GSEOJHIBPQRSNH,XZOQPEGZSA,N,LysoSM(d18:0),GSEOJHIBPQRSNH-XZOQPEGZSA-N
HMDB12084,650.536274654,C35H75N2O6P,CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(O)CCCCCCCCCCC,"InChI=1S/C35H75N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-34(38)33(32-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-23-20-15-13-11-9-7-2/h33-36,38-39H,6-32H2,1-5H3/t33-,34+,35?/m0/s1",DBRCJAPVYYEHRO,GWDKEWMYSA,N,SM(d18:0/12:0),DBRCJAPVYYEHRO-GWDKEWMYSA-N
HMDB12085,676.551924718,C37H77N2O6P,CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H77N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-46(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h35-36,40H,6-34H2,1-5H3,(H-,38,41,42,43)/t35-,36+/m0/s1",MJAFYELZQYPMQG,MPQUPPDSSA,N,SM(d18:0/14:0),MJAFYELZQYPMQG-MPQUPPDSSA-N
HMDB12087,732.614524974,C41H85N2O6P,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C41H85N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h39-40,44H,6-38H2,1-5H3,(H-,42,45,46,47)/t39-,40+/m0/s1",JCELSEVNSMXGKA,IOLBBIBUSA,N,SM(d18:0/18:0),JCELSEVNSMXGKA-IOLBBIBUSA-N
HMDB12088,730.59887491,C41H83N2O6P,CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,39-40,44H,6-15,17,19-38H2,1-5H3,(H-,42,45,46,47)/b18-16-/t39-,40+/m0/s1",HHAUPBIWIXBMEU,MMVRYLQTSA,N,SM(d18:0/18:1(11Z)),HHAUPBIWIXBMEU-MMVRYLQTSA-N
HMDB12089,730.59887491,C41H83N2O6P,CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,39-40,44H,6-19,22-38H2,1-5H3,(H-,42,45,46,47)/b21-20-/t39-,40+/m0/s1",XYLWKHKCYHMVMA,RVPJYPCXSA,N,SM(d18:0/18:1(9Z)),XYLWKHKCYHMVMA-RVPJYPCXSA-N
HMDB12090,760.645825102,C43H89N2O6P,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C43H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h41-42,46H,6-40H2,1-5H3,(H-,44,47,48,49)/t41-,42+/m0/s1",UGRZESKDAPEULH,ACEXITHZSA,N,SM(d18:0/20:0),UGRZESKDAPEULH-ACEXITHZSA-N
HMDB12091,788.67712523,C45H93N2O6P,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C45H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h43-44,48H,6-42H2,1-5H3,(H-,46,49,50,51)/t43-,44+/m0/s1",FONAXCRWZQFJHY,JCGOJSMZSA,N,SM(d18:0/22:0),FONAXCRWZQFJHY-JCGOJSMZSA-N
HMDB12092,786.661475166,C45H91N2O6P,CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,43-44,48H,6-19,22-42H2,1-5H3,(H-,46,49,50,51)/b21-20-/t43-,44+/m0/s1",DLCISSOZWVGBGP,KUMHYYHTSA,N,SM(d18:0/22:1(13Z)),DLCISSOZWVGBGP-KUMHYYHTSA-N
HMDB12093,802.692775294,C46H95N2O6P,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C46H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h44-45,49H,6-43H2,1-5H3,(H-,47,50,51,52)/t44-,45+/m0/s1",CRPAVAKPGRALOU,YWPUXERESA,N,SM(d18:0/23:0),CRPAVAKPGRALOU-YWPUXERESA-N
HMDB12094,816.708425358,C47H97N2O6P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C47H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h45-46,50H,6-44H2,1-5H3,(H-,48,51,52,53)/t45-,46+/m0/s1",SMJLGESYPKPRNU,CRCOQUFZSA,N,SM(d18:0/24:0),SMJLGESYPKPRNU-CRCOQUFZSA-N
HMDB12095,814.692775294,C47H95N2O6P,CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,45-46,50H,6-19,22-44H2,1-5H3,(H-,48,51,52,53)/b21-20-/t45-,46+/m0/s1",XZBDYCJQWJNNJB,CFLZVKAOSA,N,SM(d18:0/24:1(15Z)),XZBDYCJQWJNNJB-CFLZVKAOSA-N
HMDB12096,646.504974526,C35H71N2O6P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC,"InChI=1S/C35H71N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-34(38)33(32-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-23-20-15-13-11-9-7-2/h26,28,33-34,38H,6-25,27,29-32H2,1-5H3,(H-,36,39,40,41)/b28-26+/t33-,34+/m0/s1",HZCLJRFPXMKWHR,FEBLJDHQSA,N,SM(d18:1/12:0),HZCLJRFPXMKWHR-FEBLJDHQSA-N
HMDB12097,674.536274654,C37H75N2O6P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H75N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-46(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h28,30,35-36,40H,6-27,29,31-34H2,1-5H3,(H-,38,41,42,43)/b30-28+/t35-,36+/m0/s1",KYICBZWZQPCUMO,PSALXKTOSA,N,SM(d18:1/14:0),KYICBZWZQPCUMO-PSALXKTOSA-N
HMDB12100,728.583224846,C41H81N2O6P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,32,34,39-40,44H,6-15,17,19-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b18-16-,34-32+/t39-,40+/m0/s1",FZMKZVXNTLAHFD,RTEXEOPXSA,N,SM(d18:1/18:1(11Z)),FZMKZVXNTLAHFD-RTEXEOPXSA-N
HMDB12101,728.583224846,C41H81N2O6P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,32,34,39-40,44H,6-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b21-20-,34-32+/t39-,40+/m0/s1",NBEADXWAAWCCDG,QDDWGVBQSA,N,SM(d18:1/18:1(9Z)),NBEADXWAAWCCDG-QDDWGVBQSA-N
HMDB12102,758.630175038,C43H87N2O6P,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C43H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h34,36,41-42,46H,6-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b36-34+/t41-,42+/m0/s1",AADLTHQNYQJHQV,SVLGDMRNSA,N,SM(d18:1/20:0),AADLTHQNYQJHQV-SVLGDMRNSA-N
HMDB12103,786.661475166,C45H91N2O6P,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h36,38,43-44,48H,6-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b38-36+/t43-,44+/m0/s1",FJJANLYCZUNFSE,TWKUQIQBSA,N,SM(d18:1/22:0),FJJANLYCZUNFSE-TWKUQIQBSA-N
HMDB12104,784.645825102,C45H89N2O6P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,36,38,43-44,48H,6-19,22-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b21-20-,38-36+/t43-,44+/m0/s1",VBFKEZGCUWHGSK,ADSSWVSQSA,N,SM(d18:1/22:1(13Z)),VBFKEZGCUWHGSK-ADSSWVSQSA-N
HMDB12105,800.67712523,C46H93N2O6P,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C46H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b39-37+/t44-,45+/m0/s1",SXZWBNWTCVLZJN,NMIJJABPSA,N,SM(d18:1/23:0),SXZWBNWTCVLZJN-NMIJJABPSA-N
HMDB12107,812.67712523,C47H93N2O6P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b21-20-,40-38+/t45-,46+/m0/s1",WKZHECFHXLTOLJ,QYKFWSDSSA,N,SM(d18:1/24:1(15Z)),WKZHECFHXLTOLJ-QYKFWSDSSA-N
HMDB12108,509.348139535,C25H52NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C25H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h24,27H,5-23H2,1-4H3/t24-/m1/s1",SRRQPVVYXBTRQK,XMMPIXPASA,N,LysoPC(17:0),SRRQPVVYXBTRQK-XMMPIXPASA-N
HMDB12109,388.246103506,C20H36O7,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(O)C(O)CCCC(O)=O,"InChI=1S/C20H36O7/c1-2-3-4-6-13(21)9-10-14-15(18(24)12-17(14)23)11-19(25)16(22)7-5-8-20(26)27/h9-10,13-19,21-25H,2-8,11-12H2,1H3,(H,26,27)/b10-9+/t13-,14+,15+,16?,17+,18-,19?/m0/s1",SAAOVBGAFHJPIF,NYNACFBQSA,N,"5,6-Dihydroxyprostaglandin F1a",SAAOVBGAFHJPIF-NYNACFBQSA-N
HMDB12110,368.219888756,C20H32O6,CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](O)CC(=O)[C@H]1CC1OC1CCCC(O)=O,"InChI=1S/C20H32O6/c1-2-3-4-6-13(21)9-10-14-15(17(23)12-16(14)22)11-19-18(26-19)7-5-8-20(24)25/h9-10,13-16,18-19,21-22H,2-8,11-12H2,1H3,(H,24,25)/b10-9+/t13-,14-,15-,16-,18?,19?/m0/s1",CBOBGOJUDRNUHE,HHECASJMSA,N,5(6)-Epoxy Prostaglandin E1,CBOBGOJUDRNUHE-HHECASJMSA-N
HMDB12111,214.099379692,C14H14O2,O[C@@H]([C@H](O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1",IHPDTPWNFBQHEB,ZIAGYGMSSA,N,"(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol",IHPDTPWNFBQHEB-ZIAGYGMSSA-N
HMDB12112,416.36543078,C28H48O2,[H][C@@]12CCC3C4CCC([C@H](C)[C@@H](O)C[C@@H](C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CCC(=O)C2,"InChI=1S/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-20,22-26,30H,7-16H2,1-6H3/t18-,19+,20+,22?,23?,24?,25?,26+,27+,28-/m1/s1",XGIZPVUTLMXXTK,UKPMHFJNSA,N,(22Alpha)-hydroxy-5alpha-campestan-3-one,XGIZPVUTLMXXTK-UKPMHFJNSA-N
HMDB12113,414.349780716,C28H46O2,CC(C)[C@H](C)C[C@H](O)[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22?,23?,24?,25?,26+,27+,28-/m1/s1",FMFAICDKESPFNH,HSKWBYRYSA,N,(22Alpha)-hydroxy-campest-4-en-3-one,FMFAICDKESPFNH-HSKWBYRYSA-N
HMDB12114,146.105527702,C6H14N2O2,NCCC[C@H](N)CC(O)=O,"InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",QKEWQOJCHPFEAF,YFKPBYRVSA,N,"(3S)-3,6-Diaminohexanoate",QKEWQOJCHPFEAF-YFKPBYRVSA-N
HMDB12115,146.105527702,C6H14N2O2,C[C@H](N)C[C@H](N)CC(O)=O,"InChI=1S/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m0/s1",NGDLSXMSQYUVSJ,WHFBIAKZSA,N,"(3S,5S)-3,5-Diaminohexanoate",NGDLSXMSQYUVSJ-WHFBIAKZSA-N
HMDB12116,400.370516158,C28H48O,[H][C@@]12CCC3C4CCC([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CCC(=O)C2,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-21,23-26H,7-17H2,1-6H3/t19-,20-,21+,23?,24?,25?,26?,27+,28-/m1/s1",DDJMOMHMVFXEQF,YGBMKENASA,N,(5Alpha)-campestan-3-one,DDJMOMHMVFXEQF-YGBMKENASA-N
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HMDB12122,2647.436165308,C132H220N2O47P2,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C132H220N2O47P2/c1-75(2)35-20-36-76(3)37-21-38-77(4)39-22-40-78(5)41-23-42-79(6)43-24-44-80(7)45-25-46-81(8)47-26-48-82(9)49-27-50-83(10)51-28-52-84(11)53-29-54-85(12)55-30-56-86(13)57-31-58-87(14)59-32-60-88(15)61-33-62-89(16)63-34-64-90(17)65-66-165-182(160,161)181-183(162,163)180-126-102(134-92(19)143)110(151)119(99(73-141)172-126)174-125-101(133-91(18)142)109(150)120(98(72-140)171-125)175-130-118(159)122(108(149)100(173-130)74-164-127-117(158)121(107(148)97(71-139)166-127)176-128-115(156)111(152)103(144)93(67-135)167-128)177-131-124(114(155)106(147)95(69-137)169-131)179-132-123(113(154)105(146)96(70-138)170-132)178-129-116(157)112(153)104(145)94(68-136)168-129/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,90,93-132,135-141,144-159H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-74H2,1-19H3,(H,133,142)(H,134,143)(H,160,161)(H,162,163)/b76-37+,77-39+,78-41+,79-43+,80-45+,81-47+,82-49+,83-51+,84-53+,85-55+,86-57+,87-59+,88-61+,89-63+/t90?,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111+,112+,113+,114+,115+,116+,117+,118+,119-,120-,121+,122+,123+,124+,125+,126+,127+,128-,129-,130+,131-,132-/m1/s1",IOYSGTVJJKIUCN,MGGUUVKLSA,N,(Mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol,IOYSGTVJJKIUCN-MGGUUVKLSA-N
HMDB12123,2809.488988738,C138H230N2O52P2,OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C138H230N2O52P2/c1-76(2)35-20-36-77(3)37-21-38-78(4)39-22-40-79(5)41-23-42-80(6)43-24-44-81(7)45-25-46-82(8)47-26-48-83(9)49-27-50-84(10)51-28-52-85(11)53-29-54-86(12)55-30-56-87(13)57-31-58-88(14)59-32-60-89(15)61-33-62-90(16)63-34-64-91(17)65-66-174-193(169,170)192-194(171,172)191-131-104(140-93(19)150)113(159)123(101(74-148)182-131)184-130-103(139-92(18)149)112(158)124(100(73-147)181-130)185-135-122(168)126(187-137-129(118(164)109(155)97(70-144)179-137)190-138-128(117(163)108(154)98(71-145)180-138)189-134-120(166)115(161)106(152)95(68-142)177-134)111(157)102(183-135)75-173-132-121(167)125(110(156)99(72-146)175-132)186-136-127(116(162)107(153)96(69-143)178-136)188-133-119(165)114(160)105(151)94(67-141)176-133/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,91,94-138,141-148,151-168H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-75H2,1-19H3,(H,139,149)(H,140,150)(H,169,170)(H,171,172)/b77-37+,78-39+,79-41+,80-43+,81-45+,82-47+,83-49+,84-51+,85-53+,86-55+,87-57+,88-59+,89-61+,90-63+/t91?,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114+,115+,116+,117+,118+,119+,120+,121+,122+,123-,124-,125+,126+,127+,128+,129+,130+,131+,132+,133-,134-,135+,136-,137-,138-/m1/s1",VNYRSEASZNQGSH,UDMAQEQJSA,N,(Mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol,VNYRSEASZNQGSH-UDMAQEQJSA-N
HMDB12124,2971.541812168,C144H240N2O57P2,OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C144H240N2O57P2/c1-77(2)35-20-36-78(3)37-21-38-79(4)39-22-40-80(5)41-23-42-81(6)43-24-44-82(7)45-25-46-83(8)47-26-48-84(9)49-27-50-85(10)51-28-52-86(11)53-29-54-87(12)55-30-56-88(13)57-31-58-89(14)59-32-60-90(15)61-33-62-91(16)63-34-64-92(17)65-66-184-204(178,179)203-205(180,181)202-136-106(146-94(19)156)116(166)128(102(74-154)192-136)195-135-105(145-93(18)155)115(165)129(101(73-153)191-135)196-141-127(177)131(198-143-134(122(172)112(162)99(71-151)189-143)201-144-133(121(171)111(161)100(72-152)190-144)200-140-125(175)119(169)109(159)97(69-149)187-140)114(164)104(194-141)76-183-138-126(176)130(113(163)103(193-138)75-182-137-123(173)117(167)107(157)95(67-147)185-137)197-142-132(120(170)110(160)98(70-150)188-142)199-139-124(174)118(168)108(158)96(68-148)186-139/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,92,95-144,147-154,157-177H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-76H2,1-19H3,(H,145,155)(H,146,156)(H,178,179)(H,180,181)/b78-37+,79-39+,80-41+,81-43+,82-45+,83-47+,84-49+,85-51+,86-53+,87-55+,88-57+,89-59+,90-61+,91-63+/t92?,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128-,129-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139-,140-,141+,142-,143-,144-/m1/s1",YRUUGXZUKTWFST,JNAUNXQKSA,N,(Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol,YRUUGXZUKTWFST-JNAUNXQKSA-N
HMDB12125,3133.594635598,C150H250N2O62P2,OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C150H250N2O62P2/c1-78(2)35-20-36-79(3)37-21-38-80(4)39-22-40-81(5)41-23-42-82(6)43-24-44-83(7)45-25-46-84(8)47-26-48-85(9)49-27-50-86(10)51-28-52-87(11)53-29-54-88(12)55-30-56-89(13)57-31-58-90(14)59-32-60-91(15)61-33-62-92(16)63-34-64-93(17)65-66-193-215(187,188)214-216(189,190)213-141-108(152-95(19)163)119(174)132(104(75-161)202-141)205-140-107(151-94(18)162)118(173)133(103(74-160)201-140)206-146-131(186)135(208-149-139(126(181)115(170)101(72-158)199-149)212-150-138(125(180)114(169)102(73-159)200-150)211-145-129(184)122(177)111(166)98(69-155)196-145)117(172)106(204-146)76-191-142-130(185)134(207-148-137(124(179)113(168)100(71-157)198-148)210-144-128(183)121(176)110(165)97(68-154)195-144)116(171)105(203-142)77-192-147-136(123(178)112(167)99(70-156)197-147)209-143-127(182)120(175)109(164)96(67-153)194-143/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,93,96-150,153-161,164-186H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-77H2,1-19H3,(H,151,162)(H,152,163)(H,187,188)(H,189,190)/b79-37+,80-39+,81-41+,82-43+,83-45+,84-47+,85-49+,86-51+,87-53+,88-55+,89-57+,90-59+,91-61+,92-63+/t93?,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132-,133-,134+,135+,136+,137+,138+,139+,140+,141+,142+,143-,144-,145-,146+,147+,148-,149-,150-/m1/s1",JECWIAQBRVYUQC,IJJLAIKNSA,N,(Mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol,JECWIAQBRVYUQC-IJJLAIKNSA-N
HMDB12126,1675.119224728,C96H160N2O17P2,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C96H160N2O17P2/c1-69(2)35-20-36-70(3)37-21-38-71(4)39-22-40-72(5)41-23-42-73(6)43-24-44-74(7)45-25-46-75(8)47-26-48-76(9)49-27-50-77(10)51-28-52-78(11)53-29-54-79(12)55-30-56-80(13)57-31-58-81(14)59-32-60-82(15)61-33-62-83(16)63-34-64-84(17)65-66-110-116(106,107)115-117(108,109)114-96-90(98-86(19)102)93(105)94(88(68-100)112-96)113-95-89(97-85(18)101)92(104)91(103)87(67-99)111-95/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,84,87-96,99-100,103-105H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-68H2,1-19H3,(H,97,101)(H,98,102)(H,106,107)(H,108,109)/b70-37+,71-39+,72-41+,73-43+,74-45+,75-47+,76-49+,77-51+,78-53+,79-55+,80-57+,81-59+,82-61+,83-63+/t84?,87-,88-,89-,90-,91-,92-,93-,94-,95+,96+/m1/s1",AGKFOAYTTMSUFA,AYIKJQCISA,N,(N-Acetylglucosaminyl)2-diphosphodolichol,AGKFOAYTTMSUFA-AYIKJQCISA-N
HMDB12127,208.073558872,C11H12O4,OC(=O)C[C@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1",GTOFKXZQQDSVFH,VIFPVBQESA,N,(R)-2-Benzylsuccinate,GTOFKXZQQDSVFH-VIFPVBQESA-N
HMDB12128,135.104799421,C9H13N,C[C@@H](N)CC1=CC=CC=C1,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1",KWTSXDURSIMDCE,MRVPVSSYSA,N,(R)-Amphetamine,KWTSXDURSIMDCE-MRVPVSSYSA-N
HMDB12129,957.178202551,C32H46N7O19P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C32H46N7O19P3S/c1-32(2,26(43)29(44)35-9-8-21(40)34-10-11-62-22(41)13-19(31(45)46)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(42)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,16-17,19-20,24-26,30,42-43H,8-15H2,1-2H3,(H,34,40)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20-,24-,25-,26?,30-/m1/s1",NDCMKVRQVICKLW,DULMRFQQSA,N,(R)-Benzylsuccinyl-CoA,NDCMKVRQVICKLW-DULMRFQQSA-N
HMDB12130,127.063328537,C6H9NO2,OC(=O)C1CCCC=N1,"InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)",CSDPVAKVEWETFG,UHFFFAOYSA,N,"(S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate",CSDPVAKVEWETFG-UHFFFAOYSA-N
HMDB12131,145.073893223,C6H11NO3,C[C@H](N)CC(=O)CC(O)=O,"InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1",FAASBXNEOGMQHS,BYPYZUCNSA,N,(S)-5-Amino-3-oxohexanoate,FAASBXNEOGMQHS-BYPYZUCNSA-N
HMDB12133,108.021129372,C6H4O2,O=C1C=CC=CC1=O,InChI=1S/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4H,WOAHJDHKFWSLKE,UHFFFAOYSA,N,"1,2-Benzoquinone",WOAHJDHKFWSLKE-UHFFFAOYSA-N
HMDB12134,162.035064876,C6H10O3S,CSCCC(=O)C(\O)=C\O,"InChI=1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3/b6-4-",CILXJJLQPTUUSS,XQRVVYSFSA,N,"1,2-Dihydroxy-3-keto-5-methylthiopentene",CILXJJLQPTUUSS-XQRVVYSFSA-N
HMDB12135,144.126263144,C7H16N2O,NCCCNCCCC=O,"InChI=1S/C7H16N2O/c8-4-3-6-9-5-1-2-7-10/h7,9H,1-6,8H2",JNZUMEMWAPJNLC,UHFFFAOYSA,N,1-(3-Aminopropyl)-4-aminobutanal,JNZUMEMWAPJNLC-UHFFFAOYSA-N
HMDB12136,75.068413915,C3H9NO,CC(O)CN,"InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3",HXKKHQJGJAFBHI,UHFFFAOYSA,N,1-Amino-propan-2-ol,HXKKHQJGJAFBHI-UHFFFAOYSA-N
HMDB12138,144.057514878,C10H8O,OC1=C2C=CC=CC2=CC=C1,"InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",KJCVRFUGPWSIIH,UHFFFAOYSA,N,1-Naphthol,KJCVRFUGPWSIIH-UHFFFAOYSA-N
HMDB12140,148.073558872,C6H12O4,CC[C@@](C)(O)[C@@H](O)C(O)=O,"InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1",PDGXJDXVGMHUIR,UJURSFKZSA,N,"(R) 2,3-Dihydroxy-3-methylvalerate",PDGXJDXVGMHUIR-UJURSFKZSA-N
HMDB12141,134.057908808,C5H10O4,CC(C)(O)[C@@H](O)C(O)=O,"InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1",JTEYKUFKXGDTEU,VKHMYHEASA,N,"(R)-2,3-Dihydroxy-isovalerate",JTEYKUFKXGDTEU-VKHMYHEASA-N
HMDB12143,321.092062481,C9H15N5O8,NC1=NC2=C(N(O)C(O)(C(O)C(O)CO)C(O)N2O)C(=O)N1,"InChI=1S/C9H15N5O8/c10-8-11-5-3(6(18)12-8)14(22)9(20,7(19)13(5)21)4(17)2(16)1-15/h2,4,7,15-17,19-22H,1H2,(H3,10,11,12,18)",XWORXFNMQCQKKK,UHFFFAOYSA,N,"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin",XWORXFNMQCQKKK-UHFFFAOYSA-N
HMDB12144,289.102233237,C9H15N5O6,NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1,"InChI=1S/C9H15N5O6/c10-9-12-6-4(7(18)13-9)11-3(8(19)14(6)20)5(17)2(16)1-15/h2-3,5,8,11,15-17,19-20H,1H2,(H3,10,12,13,18)",KQZRTOGFDRQBSR,UHFFFAOYSA,N,"2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin",KQZRTOGFDRQBSR-UHFFFAOYSA-N
HMDB12145,973.173117173,C32H46N7O20P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(O)=O)C(O)C1=CC=CC=C1,"InChI=1S/C32H46N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,23-26,30,43-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t18?,19-,23?,24-,25-,26?,30-/m1/s1",DVSQFPLMOLPRDU,RECDSHRVSA,N,2-Carboxymethyl-3-hydroxyphenylpropionyl-CoA,DVSQFPLMOLPRDU-RECDSHRVSA-N
HMDB12146,578.433510344,C38H58O4,COC1=C(O)C(O)=C(C)C(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C)=C1O,"InChI=1S/C38H58O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,39-41H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17-,29-19+,30-21+,31-23+,32-25-",ZQXNZNKHQXLVCV,QXVHJBQVSA,N,"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol",ZQXNZNKHQXLVCV-QXVHJBQVSA-N
HMDB12147,562.438595722,C38H58O3,COC1=CC(O)=C(C)C(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C)=C1O,"InChI=1S/C38H58O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27,39-40H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17-,30-19+,31-21+,32-23+,33-25-",ATQQULXELMEJIX,LYBKPRGTSA,N,"2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinol",ATQQULXELMEJIX-LYBKPRGTSA-N
HMDB12148,548.422945658,C37H56O3,COC1=CC(O)=CC(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C)=C1O,"InChI=1S/C37H56O3/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38)27-36(40-8)37(34)39/h14,16,18,20,22,24,26-27,38-39H,9-13,15,17,19,21,23,25H2,1-8H3/b29-16-,30-18+,31-20+,32-22+,33-24-",ZAGWHOPYPMUKOK,CGIMVRETSA,N,"2-Hexaprenyl-6-methoxy-1,4-benzoquinol",ZAGWHOPYPMUKOK-CGIMVRETSA-N
HMDB12149,174.05282343,C7H10O5,CC(C)[C@H](C(O)=O)C(=O)C(O)=O,"InChI=1S/C7H10O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/t4-/m0/s1",HIIZAGQWABAMRR,BYPYZUCNSA,N,2-Isopropyl-3-oxosuccinate,HIIZAGQWABAMRR-BYPYZUCNSA-N
HMDB12150,187.084457909,C8H13NO4,CC(=O)NCCCCC(=O)C(O)=O,"InChI=1S/C8H13NO4/c1-6(10)9-5-3-2-4-7(11)8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)",NGCXIFFZXAZRAF,UHFFFAOYSA,N,2-Keto-6-acetamidocaproate,NGCXIFFZXAZRAF-UHFFFAOYSA-N
HMDB12151,145.073893223,C6H11NO3,NCCCCC(=O)C(O)=O,"InChI=1S/C6H11NO3/c7-4-2-1-3-5(8)6(9)10/h1-4,7H2,(H,9,10)",GWENQMVPLJAMAE,UHFFFAOYSA,N,2-Keto-6-aminocaproate,GWENQMVPLJAMAE-UHFFFAOYSA-N
HMDB12152,348.04576252,C9H17O12P,OC[C@@H](O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C9H17O12P/c10-1-3(8(14)15)20-9-7(13)6(12)5(11)4(21-9)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7+,9+/m1/s1",BOLXAGHGKNGVBE,MTXRGOKVSA,N,2-O-(6-Phospho-alpha-mannosyl)-D-glycerate,BOLXAGHGKNGVBE-MTXRGOKVSA-N
HMDB12153,139.063328537,C7H9NO2,NCC1=CC=C(O)C(O)=C1,"InChI=1S/C7H9NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H,4,8H2",YFMPSMITLLBENU,UHFFFAOYSA,N,"3,4-Dihydroxybenzylamine",YFMPSMITLLBENU-UHFFFAOYSA-N
HMDB12154,159.089543287,C7H13NO3,C[N+](C)(C)CC(=O)CC([O-])=O,"InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3",YNOWULSFLVIUDH,UHFFFAOYSA,N,3-Dehydrocarnitine,YNOWULSFLVIUDH-UHFFFAOYSA-N
HMDB12155,925.173117173,C28H46N7O20P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCCC(O)=O,"InChI=1S/C28H46N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-16,21-23,27,36,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t15?,16-,21-,22-,23?,27-/m1/s1",VGEBXBQECGWCRH,PUEFWPISSA,N,3-Hydroxypimelyl-CoA,VGEBXBQECGWCRH-PUEFWPISSA-N
HMDB12156,176.068473494,C7H12O5,CC(C)[C@@H]([C@@H](O)C(O)=O)C(O)=O,"InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5+/m0/s1",RNQHMTFBUSSBJQ,CRCLSJGQSA,N,3-Isopropylmalate,RNQHMTFBUSSBJQ-CRCLSJGQSA-N
HMDB12157,84.057514878,C5H8O,CC(C)=CC=O,"InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3",SEPQTYODOKLVSB,UHFFFAOYSA,N,3-Methyl-2-butenal,SEPQTYODOKLVSB-UHFFFAOYSA-N
HMDB12158,923.157467109,C28H44N7O20P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(O)=O,"InChI=1S/C28H44N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-14,16,21-23,27,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t16-,21-,22-,23?,27-/m1/s1",KJXFOFKTZDJLMQ,AMIBDLERSA,N,3-Oxopimelyl-CoA,KJXFOFKTZDJLMQ-AMIBDLERSA-N
HMDB12159,442.381080844,C30H50O2,CC(C)CCCC(C)C1CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3,"InChI=1S/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h19-22,25-26,32H,8-18H2,1-7H3/t21?,22?,25?,26-,28+,29+,30+/m0/s1",MKMLAQLNFVFNRK,XQVXCQOBSA,N,"4,4-Dimethyl-14alpha-formyl-5alpha-cholesta-8-en-3beta-ol",MKMLAQLNFVFNRK-XQVXCQOBSA-N
HMDB12160,444.396730908,C30H52O2,CC(C)CCCC(C)C1CC[C@@]2(CO)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3,"InChI=1S/C30H52O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h20-22,25-26,31-32H,8-19H2,1-7H3/t21?,22?,25?,26-,28+,29+,30+/m0/s1",SJPDNXKPBQHPMZ,XQVXCQOBSA,N,"4,4-Dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol",SJPDNXKPBQHPMZ-XQVXCQOBSA-N
HMDB12161,232.105921632,C9H16N2O5,N[C@@H](CCC(=O)NCCCC(O)=O)C(O)=O,"InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1",MKYPKZSGLSOGLL,LURJTMIESA,N,4-(Glutamylamino) butanoate,MKYPKZSGLSOGLL-LURJTMIESA-N
HMDB12162,167.094628665,C9H13NO2,COC1=C(O)C=C(CCN)C=C1,"InChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3",WJXQFVMTIGJBFX,UHFFFAOYSA,N,4-Methoxytyramine,WJXQFVMTIGJBFX-UHFFFAOYSA-N
HMDB12165,444.360345402,C29H48O3,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(C1CC3)C(O)=O,"InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h18-19,21-22,24-25,30H,7-17H2,1-6H3,(H,31,32)/t19?,21?,22?,24?,25-,27+,28+,29-/m0/s1",GLCDBDRQLZKKOJ,XQTRBMGCSA,N,4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol,GLCDBDRQLZKKOJ-XQTRBMGCSA-N
HMDB12166,430.344695338,C28H46O3,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H](C1CC3)C(O)=O,"InChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-18,20-21,23-25,29H,6-16H2,1-5H3,(H,30,31)/t18?,20?,21?,23?,24-,25-,27+,28+/m0/s1",RODBXVVNKJCWQR,KLZNZPMLSA,N,4alpha-Carboxy-5alpha-cholesta-8-en-3beta-ol,RODBXVVNKJCWQR-KLZNZPMLSA-N
HMDB12167,426.349780716,C29H46O2,CC(CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C=O)C1CC3,"InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,18,20,22-23,25-26,31H,7,9-17H2,1-6H3/t20?,22?,23?,25?,26-,27+,28+,29-/m0/s1",GFGANDKVOKQAGH,AEWFMJFUSA,N,"4alpha-Formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol",GFGANDKVOKQAGH-AEWFMJFUSA-N
HMDB12168,428.36543078,C29H48O2,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C=O)C1CC3,"InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h18-20,22-23,25-26,31H,7-17H2,1-6H3/t20?,22?,23?,25?,26-,27+,28+,29-/m0/s1",WWTBBRMTEFBUND,AEWFMJFUSA,N,4alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol,WWTBBRMTEFBUND-AEWFMJFUSA-N
HMDB12169,414.349780716,C28H46O2,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C=O)C1CC3,"InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h17-19,21-24,26,30H,6-16H2,1-5H3/t19?,21-,22?,23?,24?,26-,27+,28-/m0/s1",MHYWFGFPMGLYBL,GYISYUOESA,N,4alpha-Formyl-5alpha-cholesta-8-en-3beta-ol,MHYWFGFPMGLYBL-GYISYUOESA-N
HMDB12170,428.36543078,C29H48O2,CC(CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)C1CC3,"InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,20,22-23,25-26,30-31H,7,9-18H2,1-6H3/t20?,22?,23?,25?,26-,27+,28+,29-/m0/s1",LEUVIESGHNFBEK,AEWFMJFUSA,N,"4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol",LEUVIESGHNFBEK-AEWFMJFUSA-N
HMDB12171,430.381080844,C29H50O2,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)C1CC3,"InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h19-20,22-23,25-26,30-31H,7-18H2,1-6H3/t20?,22?,23?,25?,26-,27+,28+,29-/m0/s1",UVSRXDFMOZKKGE,AEWFMJFUSA,N,4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol,UVSRXDFMOZKKGE-AEWFMJFUSA-N
HMDB12172,414.349780716,C28H46O2,CC(CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)C1CC3,"InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3/t19?,21-,22?,23?,24?,26-,27+,28-/m0/s1",ORZKEIGPXNMCHC,GYISYUOESA,N,"4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol",ORZKEIGPXNMCHC-GYISYUOESA-N
HMDB12173,416.36543078,C28H48O2,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)C1CC3,"InChI=1S/C28H48O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h18-19,21-24,26,29-30H,6-17H2,1-5H3/t19?,21-,22?,23?,24?,26-,27+,28-/m0/s1",UPEGTKGKNWDIAN,GYISYUOESA,N,4Alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol,UPEGTKGKNWDIAN-GYISYUOESA-N
HMDB12174,398.354866094,C28H46O,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)C1CC3,"InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24H,7-17H2,1-6H3/t19?,20-,22?,23?,24?,27+,28-/m0/s1",SDZUXFFGOQZLPK,RJBGAFQBSA,N,4Alpha-methyl-5alpha-cholesta-8-en-3-one,SDZUXFFGOQZLPK-RJBGAFQBSA-N
HMDB12175,159.089543287,C7H13NO3,CC(=O)NCCCCC(O)=O,"InChI=1S/C7H13NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)",TZZSWAXSIGWXOS,UHFFFAOYSA,N,5-Acetamidovalerate,TZZSWAXSIGWXOS-UHFFFAOYSA-N
HMDB12176,116.094963016,C5H12N2O,NCCCCC(N)=O,"InChI=1S/C5H12N2O/c6-4-2-1-3-5(7)8/h1-4,6H2,(H2,7,8)",OTIAVLWNTIXJDO,UHFFFAOYSA,N,5-Aminopentanamide,OTIAVLWNTIXJDO-UHFFFAOYSA-N
HMDB12177,717.271817757,C30H39N9O12,CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2,"InChI=1S/C30H39N9O12/c1-39-16(13-33-24-23(39)26(45)38-30(31)37-24)12-32-15-4-2-14(3-5-15)25(44)36-19(29(50)51)7-10-21(41)34-17(27(46)47)6-9-20(40)35-18(28(48)49)8-11-22(42)43/h2-5,16-19,32H,6-13H2,1H3,(H,34,41)(H,35,40)(H,36,44)(H,42,43)(H,46,47)(H,48,49)(H,50,51)(H4,31,33,37,38,45)/t16-,17-,18-,19-/m0/s1",HVRNKDVLFAVCJF,VJANTYMQSA,N,5-Methyltetrahydropteroyltri-L-glutamate,HVRNKDVLFAVCJF-VJANTYMQSA-N
HMDB12178,384.33921603,C27H44O,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)CC1CC3,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,23-24H,6-17H2,1-5H3/t19?,20?,23?,24?,26-,27+/m0/s1",RZSXSHNNQBIPTL,HJWVNVQISA,N,5Alpha-cholesta-8-en-3-one,RZSXSHNNQBIPTL-HJWVNVQISA-N
HMDB12179,891.167637865,C28H44N7O18P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCCC1O,"InChI=1S/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,16-17,20-22,26,36,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t16?,17-,20-,21-,22?,26-/m1/s1",WBCJUEJWJADAGR,BEMBNQBDSA,N,6-Hydroxycyclohex-1-ene-1-carboxyl-CoA,WBCJUEJWJADAGR-BEMBNQBDSA-N
HMDB12180,889.151987801,C28H42N7O18P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCCC1=O,"InChI=1S/C28H42N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,17,20-22,26,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1",QFOMSXVUILWRSA,VBDPZXIHSA,N,6-Oxocyclohex-1-ene-1-carboxyl-CoA,QFOMSXVUILWRSA-VBDPZXIHSA-N
HMDB12182,138.054160834,C5H6N4O,OC1=NC2N=CN=CC2N1,"InChI=1S/C5H6N4O/c10-5-8-3-1-6-2-7-4(3)9-5/h1-4H,(H2,8,9,10)",GIKQOZJNGHZXSN,UHFFFAOYSA,N,8-Hydroxypurine,GIKQOZJNGHZXSN-UHFFFAOYSA-N
HMDB12183,170.13067982,C10H18O2,CC(C)\C=C\CCCCC(O)=O,"InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+",OCALSPDXYQHUHA,FNORWQNLSA,N,8-Methylnonenoate,OCALSPDXYQHUHA-FNORWQNLSA-N
HMDB12184,1319.550078214,C58H85CoN16O14P,C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])N([Co++]CC3OC(C(O)C3O)N3C=NC4=C3N=CN=C4N)\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N)OP(O)(O)=O,"InChI=1S/C48H74N11O11P.C10H12N5O3.Co/c1-23(70-71(67,68)69)22-55-38(66)16-17-45(6)29(18-35(52)63)43-48(9)47(8,21-37(54)65)28(12-15-34(51)62)40(59-48)25(3)42-46(7,20-36(53)64)26(10-13-32(49)60)30(56-42)19-31-44(4,5)27(11-14-33(50)61)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43H,10-18,20-22H2,1-9H3,(H16,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+3/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;;/m1../s1",QYLVQAVCDRLDAQ,VUCSARQQSA,M,Adenosyl cobinamide phosphate,QYLVQAVCDRLDAQ-VUCSARQQSA-M
HMDB12185,1664.597512489,C68H97CoN21O21P2,CC(CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC4=C2N=CN=C4N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(N)NC2=O,"InChI=1S/C58H86N16O18P2.C10H12N5O3.Co/c1-25(91-94(87,88)92-93(85,86)89-23-33-45(82)46(83)52(90-33)74-24-67-44-50(74)71-53(65)72-51(44)84)22-66-41(81)16-17-55(6)31(18-38(62)78)49-58(9)57(8,21-40(64)80)30(12-15-37(61)77)43(73-58)27(3)48-56(7,20-39(63)79)28(10-13-35(59)75)32(68-48)19-34-54(4,5)29(11-14-36(60)76)42(69-34)26(2)47(55)70-49;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,24-25,28-31,33,45-46,49,52,82-83H,10-18,20-23H2,1-9H3,(H19,59,60,61,62,63,64,65,66,68,69,70,71,72,73,75,76,77,78,79,80,81,84,85,86,87,88);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t25?,28-,29-,30-,31+,33-,45-,46-,49?,52-,55-,56+,57+,58+;4-,6-,7-,10-;/m11./s1",IQTYKHRKNGVJEO,FGHWVWCISA,M,Adenosylcobinamide-GDP,IQTYKHRKNGVJEO-FGHWVWCISA-M
HMDB12187,654.381427298,C35H60O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,"InChI=1S/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,39,40)(H2,36,37,38)/b30-17+,31-19+,32-21+,33-23+,34-25+,35-27+",LSJLEXWXRKTZAJ,YUIIPXGZSA,N,All-trans-heptaprenyl diphosphate,LSJLEXWXRKTZAJ-YUIIPXGZSA-N
HMDB12188,586.318827042,C30H52O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,"InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)/b26-15+,27-17+,28-19+,29-21+,30-23+",NGFSMHKFTZROKJ,MMSZMYIBSA,N,All-trans-hexaprenyl diphosphate,NGFSMHKFTZROKJ-MMSZMYIBSA-N
HMDB12189,159.173547687,C8H21N3,NCCCCCNCCCN,"InChI=1S/C8H21N3/c9-5-2-1-3-7-11-8-4-6-10/h11H,1-10H2",QZBYOYPROVGOGE,UHFFFAOYSA,N,Aminopropylcadaverine,QZBYOYPROVGOGE-UHFFFAOYSA-N
HMDB12190,141.924730001,AsH3O4,O[As](O)(O)=O,"InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)",DJHGAFSJWGLOIV,UHFFFAOYSA,N,Arsenate,DJHGAFSJWGLOIV-UHFFFAOYSA-N
HMDB12194,150.05282343,C5H10O5,O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1",SRBFZHDQGSBBOR,TXICZTDVSA,N,Beta-D-ribopyranose,SRBFZHDQGSBBOR-TXICZTDVSA-N
HMDB12195,230.01915384,C5H11O8P,O[C@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O,"InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1",ILXHFXFPPZGENN,QMKXCQHVSA,N,Beta-L-arabinose 1-phosphate,ILXHFXFPPZGENN-QMKXCQHVSA-N
HMDB12196,398.354866094,C28H46O,CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,23-26H,7-16H2,1-6H3/t19-,20-,23?,24?,25?,26?,27+,28-/m1/s1",QQIOPZFVTIHASB,PHOXBLGLSA,N,Campest-4-en-3-one,QQIOPZFVTIHASB-PHOXBLGLSA-N
HMDB12197,292.101898886,C9H16N4O7,NC(CCONC(=N)NC(CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C9H16N4O7/c10-4(7(16)17)1-2-20-13-9(11)12-5(8(18)19)3-6(14)15/h4-5H,1-3,10H2,(H,14,15)(H,16,17)(H,18,19)(H3,11,12,13)",SGYMGUGIGTWWLU,UHFFFAOYSA,N,Canavaninosuccinate,SGYMGUGIGTWWLU-UHFFFAOYSA-N
HMDB12199,226.047738052,C10H10O6,O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O,"InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1",WTFXTQVDAKGDEY,HTQZYQBOSA,N,Chorismate,WTFXTQVDAKGDEY-HTQZYQBOSA-N
HMDB12201,381.164833493,C16H23N5O6,C\C(CO)=C/CNC1=NC=NC2=C1N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16-/m1/s1",HTDHRCLVWUEXIS,HNVSNYHQSA,N,Cis-zeatin-7-N-glucoside,HTDHRCLVWUEXIS-HNVSNYHQSA-N
HMDB12202,381.164833493,C16H23N5O6,C\C(CO)=C\CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2-/t9-,11-,12+,13-,16+/m0/s1",VYRAJOITMBSQSE,UMNZXQRGSA,N,Cis-zeatin-9-N-glucoside,VYRAJOITMBSQSE-UMNZXQRGSA-N
HMDB12203,381.164833493,C16H23N5O6,C\C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/CNC1=NC=NC2=C1NC=N2,"InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2+/t9-,11-,12+,13-,16+/m1/s1",UUPDCCPAOMDMPT,GIHYWFGSSA,N,Cis-zeatin-O-glucoside,UUPDCCPAOMDMPT-GIHYWFGSSA-N
HMDB12204,219.112010063,C10H13N5O,C\C(CO)=C/CNC1=NC=NC2=C1NC=N2,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",UZKQTCBAMSWPJD,FARCUNLSSA,N,Cis-zeatin,UZKQTCBAMSWPJD-FARCUNLSSA-N
HMDB12206,630.142182098,C20H31N4O17P,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OC[C@H](O)[C@H](O)[C@@H]2O[C@@](O)(C[C@H](O)C2NC(=O)CO)C(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(34)22-10)17-15(31)14(30)9(40-17)6-39-42(36,37)38-5-8(27)13(29)16-12(23-11(28)4-25)7(26)3-20(35,41-16)18(32)33/h1-2,7-9,12-17,25-27,29-31,35H,3-6H2,(H,23,28)(H,32,33)(H,36,37)(H2,21,22,34)/t7-,8-,9+,12?,13-,14+,15+,16+,17+,20-/m0/s1",AOOQVSNKZOZOHI,LBTQWYOJSA,N,CMP-N-glycoloylneuraminate,AOOQVSNKZOZOHI-LBTQWYOJSA-N
HMDB12207,873.157073179,C28H42N7O17P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCC=C1,"InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h4,6-7,14-15,17,20-22,26,37-38H,3,5,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1",IHXBZDHPKCDGKN,VBDPZXIHSA,N,"Cyclohex-1,5-diene-1-carboxyl-CoA",IHXBZDHPKCDGKN-VBDPZXIHSA-N
HMDB12208,238.035472606,C6H11N2O6P,O[C@H](COP(O)(O)=O)[C@@H](O)C1=CNC=N1,"InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1",HFYBTHCYPKEDQQ,RITPCOANSA,N,D-Erythro-imidazole-glycerol-phosphate,HFYBTHCYPKEDQQ-RITPCOANSA-N
HMDB12209,154.039495352,C4H11O4P,CCOP(O)(=O)OCC,"InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)",UCQFCFPECQILOL,UHFFFAOYSA,N,Diethylphosphate,UCQFCFPECQILOL-UHFFFAOYSA-N
HMDB12210,208.059171136,C8H16O2S2,OC(=O)CCCCC(S)CCS,"InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)",IZFHEQBZOYJLPK,UHFFFAOYSA,N,Dihydrolipoate,IZFHEQBZOYJLPK-UHFFFAOYSA-N
HMDB12211,383.180483557,C16H25N5O6,CC(CO)CCNC1=NC=NC2=C1N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16-/m1/s1",WSELIHNWDGFXRQ,UFZVAZPKSA,N,Dihydrozeatin-7-N-dihydrozeatin,WSELIHNWDGFXRQ-UFZVAZPKSA-N
HMDB12212,545.233306987,C22H35N5O11,CC(CCNC1=NC=NC2=C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C22H35N5O11/c1-9(6-36-22-18(35)16(33)14(31)11(5-29)38-22)2-3-23-19-12-20(25-7-24-19)27(8-26-12)21-17(34)15(32)13(30)10(4-28)37-21/h7-11,13-18,21-22,28-35H,2-6H2,1H3,(H,23,24,25)/t9?,10-,11-,13-,14-,15+,16+,17-,18-,21?,22+/m1/s1",KDIRTCPHKDPWMQ,MRVUIOGRSA,N,Dihydrozeatin-9-N-glucoside-O-glucoside,KDIRTCPHKDPWMQ-MRVUIOGRSA-N
HMDB12213,383.180483557,C16H25N5O6,CC(CO)CCNC1=NC=NC2=C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16?/m1/s1",DRPMMLWYLAPTPK,SFVLZXPESA,N,Dihydrozeatin-9-N-glucoside,DRPMMLWYLAPTPK-SFVLZXPESA-N
HMDB12214,383.180483557,C16H25N5O6,CC(CCNC1=NC=NC2=C1N=CN2)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C16H25N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h6-9,11-13,16,22-25H,2-5H2,1H3,(H2,17,18,19,20,21)/t8?,9-,11-,12+,13-,16+/m1/s1",QRZHDHJUYBONQQ,CLORPHGJSA,N,Dihydrozeatin-O-glucoside,QRZHDHJUYBONQQ-CLORPHGJSA-N
HMDB12215,221.127660127,C10H15N5O,C[C@H](CO)CCNC1=NC=NC2=C1NC=N2,"InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m0/s1",XXFACTAYGKKOQB,ZETCQYMHSA,N,Dihydrozeatin,XXFACTAYGKKOQB-ZETCQYMHSA-N
HMDB12216,121.971286263,C2H7AsO,C[As](C)O,"InChI=1S/C2H7AsO/c1-3(2)4/h4H,1-2H3",VDEGQTCMQUFPFH,UHFFFAOYSA,N,Dimethylarsinous acid,VDEGQTCMQUFPFH-UHFFFAOYSA-N
HMDB12217,994.694428578,C60H100O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,"InChI=1S/C60H100O7P2/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-66-69(64,65)67-68(61,62)63/h25,27,29,31,33,35,37,39,41,43,45,47H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3,(H,64,65)(H2,61,62,63)/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+",WURMRKUXTPWSRM,GNZYJLLNSA,N,Dodecaprenyl diphosphate,WURMRKUXTPWSRM-GNZYJLLNSA-N
HMDB12218,1351.046972686,C86H143O9P,OC[C@H]1O[C@@H](OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-29-56-78(14)57-30-58-79(15)59-31-60-80(16)61-32-62-81(17)63-64-93-96(91,92)95-86-85(90)84(89)83(88)82(65-87)94-86/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,81-90H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-65H2,1-17H3,(H,91,92)/b67-35+,68-37+,69-39+,70-41+,71-43+,72-45+,73-47+,74-49+,75-51+,76-53+,77-55+,78-57+,79-59+,80-61+/t81?,82-,83-,84+,85+,86+/m1/s1",YRJQNWAWJNIMPJ,HNEPGKAWSA,N,Dolichyl beta-D-mannosyl phosphate,YRJQNWAWJNIMPJ-HNEPGKAWSA-N
HMDB12219,151.063328537,C8H9NO2,NCCC1=CC(=O)C(=O)C=C1,"InChI=1S/C8H9NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5H,3-4,9H2",PQPXZWUZIOASKS,UHFFFAOYSA,N,Dopamine quinone,PQPXZWUZIOASKS-UHFFFAOYSA-N
HMDB12220,388.090665498,C18H16N2O8,OC(=O)C(CC1=CC(=O)C(=O)C=C1)\N=C\C=C1/CC(NC(=C1)C(O)=O)C(O)=O,"InChI=1S/C18H16N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4+",DVOFEZJSDVPRON,QKSINNACSA,N,Dopaxanthin quinone,DVOFEZJSDVPRON-QKSINNACSA-N
HMDB12221,390.106315562,C18H18N2O8,OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O,"InChI=1S/C18H18N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20-22H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1",YSNPSKZBOQYUHH,AFUNOPLTSA,N,Dopaxanthin,YSNPSKZBOQYUHH-AFUNOPLTSA-N
HMDB12222,589.107390297,C18H29N3O15P2,C[C@H]1OC(OP(O)(=O)OP(O)(=O)OCC2OC(CC2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@@H](O)C1NC(C)=O,"InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)14(24)13(8(2)33-17)19-9(3)22/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10?,11?,12?,13?,14+,15-,17?/m1/s1",YHXQWYBLXUELDA,ANBZSJOMSA,N,"dTDP-4-acetamido-4,6-dideoxy-D-galactose",YHXQWYBLXUELDA-ANBZSJOMSA-N
HMDB12223,955.162552487,C32H44N7O19P3S,OC(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N)C(=O)NCCC(=O)NCCSC(=O)C(\CC(=O)O)=C\C1=CC=CC=C1,"InChI=1S/C32H44N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,12,16-17,20,24-26,30,43-44H,8-11,13-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b19-12+/t20-,24-,25-,26?,30-/m1/s1",CIZCKPNGZPENDV,IZNHDNMWSA,N,E-Phenylitaconyl-CoA,CIZCKPNGZPENDV-IZNHDNMWSA-N
HMDB12224,334.24089897,C23H30N2,CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1,"InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3",DWAWDSVKAUWFHC,UHFFFAOYSA,N,Emopamil,DWAWDSVKAUWFHC-UHFFFAOYSA-N
HMDB12225,164.047344122,C9H8O3,OC(=O)C(\O)=C\C1=CC=CC=C1,"InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6-",DEDGUGJNLNLJSR,VURMDHGXSA,N,Enol-phenylpyruvate,DEDGUGJNLNLJSR-VURMDHGXSA-N
HMDB12226,305.101170605,C14H15N3O5,CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N,"InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+",JRURYQJSLYLRLN,BJMVGYQFSA,N,Entacapone,JRURYQJSLYLRLN-BJMVGYQFSA-N
HMDB12227,241.123341974,C13H20ClNO,CC(NC(C)(C)C)C(O)C1=CC(Cl)=CC=C1,"InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3",NDPTTXIBLSWNSF,UHFFFAOYSA,N,Erythrohydrobupropion,NDPTTXIBLSWNSF-UHFFFAOYSA-N
HMDB12228,126.008195224,C2H7O4P,CCOP(O)(O)=O,"InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)",ZJXZSIYSNXKHEA,UHFFFAOYSA,N,Ethylphosphate,ZJXZSIYSNXKHEA-UHFFFAOYSA-N
HMDB12230,217.142641489,C9H19N3O3,NCCCCNC(=O)CC[C@H](N)C(O)=O,"InChI=1S/C9H19N3O3/c10-5-1-2-6-12-8(13)4-3-7(11)9(14)15/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1",WKGTVHGVLRCTCF,ZETCQYMHSA,N,Gamma-glutamyl-L-putrescine,WKGTVHGVLRCTCF-ZETCQYMHSA-N
HMDB12231,518.256226786,C25H44O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,"InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17+,25-19+",JMVSBFJBMXQNJW,GIXZANJISA,N,Geranylfarnesyl diphosphate,JMVSBFJBMXQNJW-GIXZANJISA-N
HMDB12232,3295.647459028,C156H260N2O67P2,OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/C156H260N2O67P2/c1-79(2)35-20-36-80(3)37-21-38-81(4)39-22-40-82(5)41-23-42-83(6)43-24-44-84(7)45-25-46-85(8)47-26-48-86(9)49-27-50-87(10)51-28-52-88(11)53-29-54-89(12)55-30-56-90(13)57-31-58-91(14)59-32-60-92(15)61-33-62-93(16)63-34-64-94(17)65-66-202-226(196,197)225-227(198,199)224-146-110(158-96(19)170)122(182)136(106(76-168)212-146)215-145-109(157-95(18)169)121(181)137(105(75-167)211-145)216-152-135(195)140(219-155-144(129(189)117(177)102(72-164)209-155)223-156-143(128(188)116(176)103(73-165)210-156)222-151-134(194)138(118(178)104(74-166)206-151)217-148-130(190)123(183)111(171)97(67-159)203-148)120(180)108(214-152)77-200-147-133(193)139(218-154-142(127(187)115(175)101(71-163)208-154)221-150-132(192)125(185)113(173)99(69-161)205-150)119(179)107(213-147)78-201-153-141(126(186)114(174)100(70-162)207-153)220-149-131(191)124(184)112(172)98(68-160)204-149/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,94,97-156,159-168,171-195H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-78H2,1-19H3,(H,157,169)(H,158,170)(H,196,197)(H,198,199)/b80-37+,81-39+,82-41+,83-43+,84-45+,85-47+,86-49+,87-51+,88-53+,89-55+,90-57+,91-59+,92-61+,93-63+/t94?,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124+,125+,126+,127+,128+,129+,130-,131+,132+,133+,134+,135+,136-,137-,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148-,149-,150-,151-,152+,153+,154-,155-,156-/m1/s1",MLMXJWWXMCLAMG,FTSRHZIGSA,N,Glucosyl-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol,MLMXJWWXMCLAMG-FTSRHZIGSA-N
HMDB12233,116.047344122,C5H8O3,OC(=O)CCCC=O,"InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)",VBKPPDYGFUZOAJ,UHFFFAOYSA,N,Glutarate semialdehyde,VBKPPDYGFUZOAJ-UHFFFAOYSA-N
HMDB12234,139.074561925,C6H9N3O,NC(CC1=CNC=N1)C=O,"InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)",VYOIELONWKIZJS,UHFFFAOYSA,N,Histidinal,VYOIELONWKIZJS-UHFFFAOYSA-N
HMDB12235,255.102606532,C13H18ClNO2,CC(NC(C)(C)CO)C(=O)C1=CC(Cl)=CC=C1,"InChI=1S/C13H18ClNO2/c1-9(15-13(2,3)8-16)12(17)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3",AKOAEVOSDHIVFX,UHFFFAOYSA,N,Hydroxybupropion,AKOAEVOSDHIVFX-UHFFFAOYSA-N
HMDB12236,220.02490792,C6H9N2O5P,OP(O)(=O)OCC(=O)CC1=CNC=N1,"InChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)",YCFFMSOLUMRAMD,UHFFFAOYSA,N,Imidazole acetol-phosphate,YCFFMSOLUMRAMD-UHFFFAOYSA-N
HMDB12237,953.693228803,C50H100NO13P,CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC,"InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)",PMXMKGYRVPAIJJ,UHFFFAOYSA,N,Inositol-P-ceramide,PMXMKGYRVPAIJJ-UHFFFAOYSA-N
HMDB12238,126.90446842,I,[I-],InChI=1S/HI/h1H/p-1,XMBWDFGMSWQBCA,UHFFFAOYSA,M,Iodide,XMBWDFGMSWQBCA-UHFFFAOYSA-M
HMDB12240,363.190654313,C17H25N5O4,CC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2NCC=C(C)C,"InChI=1S/C17H25N5O4/c1-4-10-12(23)13(24)14(25)17(26-10)22-8-21-11-15(18-6-5-9(2)3)19-7-20-16(11)22/h5,7-8,10,12-14,17,23-25H,4,6H2,1-3H3,(H,18,19,20)/t10-,12-,13+,14-,17+/m1/s1",MIBAUVZDWWWONW,HFVZKWEFSA,N,Isopentenyladenine-9-N-glucoside,MIBAUVZDWWWONW-HFVZKWEFSA-N
HMDB12241,158.057908808,C7H10O4,CC(C)C(=C\C(O)=O)\C(O)=O,"InChI=1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3-4H,1-2H3,(H,8,9)(H,10,11)/b5-3-",NJMGRJLQRLFQQX,HYXAFXHYSA,N,Isopropylmaleate,NJMGRJLQRLFQQX-HYXAFXHYSA-N
HMDB12242,530.148760818,C26H28Cl2N4O4,CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1,"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1",XMAYWYJOQHXEEK,ZEQKJWHPSA,N,Ketoconazole,XMAYWYJOQHXEEK-ZEQKJWHPSA-N
HMDB12243,377.133533365,C16H19N5O6,OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1C(NCC1=CC=CO1)=NC=N2,"InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-15-10(21)14(18-6-19-15)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16+/m1/s1",AXJIOWGMASZFOU,HMXKMONRSA,N,Kinetin-7-N-glucoside,AXJIOWGMASZFOU-HMXKMONRSA-N
HMDB12244,377.133533365,C16H19N5O6,OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2NCC1=CC=CO1,"InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-10-14(18-6-19-15(10)21)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16+/m1/s1",OYLTWZIEBYEQGY,HMXKMONRSA,N,Kinetin-9-N-glucoside,OYLTWZIEBYEQGY-HMXKMONRSA-N
HMDB12245,215.080709935,C10H9N5O,C(NC1=NC=NC2=C1NC=N2)C1=CC=CO1,"InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)",QANMHLXAZMSUEX,UHFFFAOYSA,N,Kinetin,QANMHLXAZMSUEX-UHFFFAOYSA-N
HMDB12246,164.094963016,C9H12N2O,NCCC(=O)C1=C(N)C=CC=C1,"InChI=1S/C9H12N2O/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2",QLPVTIQQFGWSQQ,UHFFFAOYSA,N,Kynuramine,QLPVTIQQFGWSQQ-UHFFFAOYSA-N
HMDB12247,169.037507717,C7H7NO4,OC(=O)C1CC=CC(=N1)C(O)=O,"InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12)",UWOCFOFVIBZJGH,UHFFFAOYSA,N,"L-2,3-Dihydrodipicolinate",UWOCFOFVIBZJGH-UHFFFAOYSA-N
HMDB12248,852.167972216,C25H43N8O17P3S,CC(N)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t13?,14-,18-,19-,20?,24-/m1/s1",CCSDHAPTHIKZLY,LRJFFYKASA,N,L-3-Aminobutyryl-CoA,CCSDHAPTHIKZLY-LRJFFYKASA-N
HMDB12249,117.042593095,C4H7NO3,N[C@@H](CC=O)C(O)=O,"InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1",HOSWPDPVFBCLSY,VKHMYHEASA,N,L-Aspartate-semialdehyde,HOSWPDPVFBCLSY-VKHMYHEASA-N
HMDB12250,213.003838127,C4H8NO7P,NC(CC(=O)OP(O)(O)=O)C(O)=O,"InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)",IXZNKTPIYKDIGG,UHFFFAOYSA,N,L-Aspartyl-4-phosphate,IXZNKTPIYKDIGG-UHFFFAOYSA-N
HMDB12251,134.069142196,C4H10N2O3,NOCC[C@H](N)C(O)=O,"InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",FQPGMQABJNQLLF,VKHMYHEASA,N,L-Canaline,FQPGMQABJNQLLF-VKHMYHEASA-N
HMDB12252,323.282429433,C20H37NO2,CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCO,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",KQXDGUVSAAQARU,HZJYTTRNSA,N,Linoleoyl ethanolamide,KQXDGUVSAAQARU-HZJYTTRNSA-N
HMDB12253,990.327505266,C36H62O31,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1",OCIBBXPLUVYKCH,QXVNYKTNSA,N,Maltohexaose,OCIBBXPLUVYKCH-QXVNYKTNSA-N
HMDB12254,828.274681836,C30H52O26,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m1/s1",FTNIPWXXIGNQQF,DWTFCAFKSA,N,Maltopentaose,FTNIPWXXIGNQQF-DWTFCAFKSA-N
HMDB12255,1837.172048158,C102H170N2O22P2,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C102H170N2O22P2/c1-70(2)35-20-36-71(3)37-21-38-72(4)39-22-40-73(5)41-23-42-74(6)43-24-44-75(7)45-25-46-76(8)47-26-48-77(9)49-27-50-78(10)51-28-52-79(11)53-29-54-80(12)55-30-56-81(13)57-31-58-82(14)59-32-60-83(15)61-33-62-84(16)63-34-64-85(17)65-66-119-127(115,116)126-128(117,118)125-101-92(104-87(19)109)95(112)98(90(69-107)122-101)123-100-91(103-86(18)108)94(111)99(89(68-106)121-100)124-102-97(114)96(113)93(110)88(67-105)120-102/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,85,88-102,105-107,110-114H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-69H2,1-19H3,(H,103,108)(H,104,109)(H,115,116)(H,117,118)/b71-37+,72-39+,73-41+,74-43+,75-45+,76-47+,77-49+,78-51+,79-53+,80-55+,81-57+,82-59+,83-61+,84-63+/t85?,88-,89-,90-,91-,92-,93-,94-,95-,96+,97+,98-,99-,100+,101+,102+/m1/s1",WFPHPSFEEKVIHM,OXIGOQSHSA,N,Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol,WFPHPSFEEKVIHM-OXIGOQSHSA-N
HMDB12256,1357.765206073,C62H121NO26P2,CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(OP(O)(=O)OC3C(O)C(O)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC,"InChI=1S/C62H121NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(66)61(79)63-41(45(67)42(65)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-84-90(80,81)88-60-53(75)51(73)58(52(74)54(60)76)86-62-56(78)55(77)57(44(39-64)85-62)87-91(82,83)89-59-49(71)47(69)46(68)48(70)50(59)72/h41-60,62,64-78H,3-40H2,1-2H3,(H,63,79)(H,80,81)(H,82,83)",CPMOABJYWXUZCM,UHFFFAOYSA,N,Mannosyl-diinositol-phosphorylceramide,CPMOABJYWXUZCM-UHFFFAOYSA-N
HMDB12257,1115.746052233,C56H110NO18P,CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC,"InChI=1S/C56H110NO18P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(60)55(69)57-41(45(61)42(59)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-72-76(70,71)75-54-50(66)48(64)53(49(65)51(54)67)74-56-52(68)47(63)46(62)44(39-58)73-56/h41-54,56,58-68H,3-40H2,1-2H3,(H,57,69)(H,70,71)",ZKFACHLEPWMTPW,UHFFFAOYSA,N,Mannosyl-inositol-phosphorylceramide,ZKFACHLEPWMTPW-UHFFFAOYSA-N
HMDB12258,139.945465443,CH5AsO3,C[As](O)(O)=O,"InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)",QYPPRTNMGCREIM,UHFFFAOYSA,N,Methylarsonate,QYPPRTNMGCREIM-UHFFFAOYSA-N
HMDB12259,123.950550821,CH5AsO2,C[As](O)O,"InChI=1S/CH5AsO2/c1-2(3)4/h3-4H,1H3",OXBIRPQQKCQWGV,UHFFFAOYSA,N,Methylarsonite,OXBIRPQQKCQWGV-UHFFFAOYSA-N
HMDB12260,163.900716398,H2MoO4,O[Mo](O)(=O)=O,InChI=1S/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2,VLAPMBHFAWRUQP,UHFFFAOYSA,L,Molybdate,VLAPMBHFAWRUQP-UHFFFAOYSA-L
HMDB12261,538.869054191,C10H12MoN5O7PS3,NC1=NC2=C(NC3C(N2)OC(COP(O)(O)=O)C2=C3S[Mo](=O)(=S)S2)C(=O)N1,"InChI=1S/C10H14N5O6PS2.Mo.O.S/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;/p-2",QNGJROMMAHOOFQ,UHFFFAOYSA,L,Molybdenum cofactor (sulfide),QNGJROMMAHOOFQ-UHFFFAOYSA-L
HMDB12262,724.06483075,C20H26N10O12P2S2,NC1=NC2=C(NC3C(N2)OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC4=C2N=CN=C4N)C(S)=C3S)C(=O)N1,"InChI=1S/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)",XJXFAXLUOKQPAQ,UHFFFAOYSA,N,Molybdopterin-AMP,XJXFAXLUOKQPAQ-UHFFFAOYSA-N
HMDB12264,1472.039852197,C88H147NO12P2,OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C88H147NO12P2/c1-67(2)34-19-35-68(3)36-20-37-69(4)38-21-39-70(5)40-22-41-71(6)42-23-43-72(7)44-24-45-73(8)46-25-47-74(9)48-26-49-75(10)50-27-51-76(11)52-28-53-77(12)54-29-55-78(13)56-30-57-79(14)58-31-59-80(15)60-32-61-81(16)62-33-63-82(17)64-65-98-102(94,95)101-103(96,97)100-88-85(89-83(18)91)87(93)86(92)84(66-90)99-88/h34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,82,84-88,90,92-93H,19-33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-66H2,1-18H3,(H,89,91)(H,94,95)(H,96,97)/b68-36+,69-38+,70-40+,71-42+,72-44+,73-46+,74-48+,75-50+,76-52+,77-54+,78-56+,79-58+,80-60+,81-62+/t82?,84-,85-,86-,87-,88+/m1/s1",PJOHRMFBCONSHW,HWUFQLITSA,N,N-Acetylglucosaminyl-diphosphodolichol,PJOHRMFBCONSHW-HWUFQLITSA-N
HMDB12265,132.053492132,C4H8N2O3,CN(CC(O)=O)C(O)=N,"InChI=1S/C4H8N2O3/c1-6(4(5)9)2-3(7)8/h2H2,1H3,(H2,5,9)(H,7,8)",SREKYKXYSQMOIB,UHFFFAOYSA,N,N-Carbamoylsarcosine,SREKYKXYSQMOIB-UHFFFAOYSA-N
HMDB12266,289.079766461,C11H15NO8,OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O,"InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)/t6-/m0/s1",SDVXSCSNVVZWDD,LURJTMIESA,N,N-Succinyl-2-amino-6-ketopimelate,SDVXSCSNVVZWDD-LURJTMIESA-N
HMDB12267,290.11140094,C11H18N2O7,NC(CCC[C@H](NC(=O)CCC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C11H18N2O7/c12-6(10(17)18)2-1-3-7(11(19)20)13-8(14)4-5-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6?,7-/m0/s1",GLXUWZBUPATPBR,MLWJPKLSSA,N,"N-Succinyl-L,L-2,6-diaminopimelate",GLXUWZBUPATPBR-MLWJPKLSSA-N
HMDB12268,339.046765573,C9H14N3O9P,OC1C(COP(O)(O)=O)OC(C1O)N1C=NC=C1NC(O)=O,"InChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)",JHLXDWGVSYMXPL,UHFFFAOYSA,N,N5-Carboxyaminoimidazole ribonucleotide,JHLXDWGVSYMXPL-UHFFFAOYSA-N
HMDB12270,302.151809192,C18H22O4,C[C@@H](CC1=CC=C(O)C(O)=C1)[C@@H](C)CC1=CC=C(O)C(O)=C1,"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12-/m0/s1",HCZKYJDFEPMADG,RYUDHWBXSA,N,Nordihydroguaiaretate,HCZKYJDFEPMADG-RYUDHWBXSA-N
HMDB12271,177.074955855,C5H11N3O4,NC(CCONC(O)=N)C(O)=O,"InChI=1S/C5H11N3O4/c6-3(4(9)10)1-2-12-8-5(7)11/h3H,1-2,6H2,(H,9,10)(H3,7,8,11)",SFYVZOSIAIZWQU,UHFFFAOYSA,N,O-Ureidohomoserine,SFYVZOSIAIZWQU-UHFFFAOYSA-N
HMDB12273,255.256214683,C16H33NO,CCCCCCCCCCCCCCCC(N)=O,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",HSEMFIZWXHQJAE,UHFFFAOYSA,N,Palmitic amide,HSEMFIZWXHQJAE-UHFFFAOYSA-N
HMDB12275,121.089149357,C8H11N,NCCC1=CC=CC=C1,"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2",BHHGXPLMPWCGHP,UHFFFAOYSA,N,Phenylethylamine,BHHGXPLMPWCGHP-UHFFFAOYSA-N
HMDB12276,559.071673493,C15H23N5O14P2,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN([C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C2=N,"InChI=1S/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14+,15-/m1/s1",RTQMRTSPTLIIHM,ZTRAZTMKSA,N,Phosphoribosyl-AMP,RTQMRTSPTLIIHM-ZTRAZTMKSA-N
HMDB12277,577.082238179,C15H25N5O15P2,NC(=O)C1=C(\N=C\NC2OC(COP(O)(O)=O)C(O)C2O)N(C=N1)C1OC(COP(O)(O)=O)C(O)C1O,"InChI=1S/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,27,28)(H2,29,30,31)",QOUSHGMTBIIAHR,UHFFFAOYSA,N,PhosphoribosylformiminoAICAR-phosphate,QOUSHGMTBIIAHR-UHFFFAOYSA-N
HMDB12278,577.082238179,C15H25N5O15P2,O[C@H](COP(=O)(O)O)[C@@H](O)C(=O)CN\C=N\C1=C(C(=O)N)N=CN1[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]1O,"InChI=1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/t7-,8+,10+,11+,12+,15+/m1/s1",BLKFNHOCHNCLII,IIZOACFYSA,N,Phosphoribulosylformimino-AICAR-P,BLKFNHOCHNCLII-IIZOACFYSA-N
HMDB12280,397.259324529,C18H40NO6P,CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@H](N)COP(O)(O)=O,"InChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17-,18-/m1/s1",AYGOSKULTISFCW,KZNAEPCWSA,N,Phytosphingosine-1-P,AYGOSKULTISFCW-KZNAEPCWSA-N
HMDB12281,374.11140094,C18H18N2O7,OC(=O)C(CC1=CC=C(O)C=C1)\N=C\C=C1/CC(NC(=C1)C(O)=O)C(O)=O,"InChI=1S/C18H18N2O7/c21-12-3-1-10(2-4-12)7-13(16(22)23)19-6-5-11-8-14(17(24)25)20-15(9-11)18(26)27/h1-6,8,13,15,20-21H,7,9H2,(H,22,23)(H,24,25)(H,26,27)/b11-5-,19-6+",MBFJCQLVRQZZOV,KRDOMJLVSA,N,Portulacaxanthin II,MBFJCQLVRQZZOV-KRDOMJLVSA-N
HMDB12282,257.909555916,H5O10P3,OP(O)(=O)OP(O)(=O)OP(O)(O)=O,"InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)",UNXRWKVEANCORM,UHFFFAOYSA,N,PPPi,UNXRWKVEANCORM-UHFFFAOYSA-N
HMDB12283,226.047738052,C10H10O6,OC1C=CC(CC(=O)C(O)=O)(C=C1)C(O)=O,"InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)",FPWMCUPFBRFMLH,UHFFFAOYSA,N,Prephenate,FPWMCUPFBRFMLH-UHFFFAOYSA-N
HMDB12285,273.966988745,C5H11AsO8,OCC1OC(O[As](O)(O)=O)C(O)C1O,"InChI=1S/C5H11AsO8/c7-1-2-3(8)4(9)5(13-2)14-6(10,11)12/h2-5,7-9H,1H2,(H2,10,11,12)",RYJJOMQPAAUFBF,UHFFFAOYSA,N,Ribose-1-arsenate,RYJJOMQPAAUFBF-UHFFFAOYSA-N
HMDB12286,189.082349419,C8H15NO2S,CC(C)=CCSCC(N)C(O)=O,"InChI=1S/C8H15NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h3,7H,4-5,9H2,1-2H3,(H,10,11)",ULHWZNASVJIOEM,UHFFFAOYSA,N,S-Prenyl-L-cysteine,ULHWZNASVJIOEM-UHFFFAOYSA-N
HMDB12288,161.896051997,O2Te,O=[Te]=O,InChI=1S/O2Te/c1-3-2,LAJZODKXOMJMPK,UHFFFAOYSA,N,Tellurite,LAJZODKXOMJMPK-UHFFFAOYSA-N
HMDB12289,171.053157781,C7H9NO4,OC(=O)C1CCCC(=N1)C(O)=O,"InChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)",CXMBCXQHOXUCEO,UHFFFAOYSA,N,Tetrahydrodipicolinate,CXMBCXQHOXUCEO-UHFFFAOYSA-N
HMDB12290,703.256167693,C29H37N9O12,NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2)N1,"InChI=1S/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)/t15-,16-,17-,18-/m0/s1",RXWVHRYZTWZATH,XSLAGTTESA,N,Tetrahydropteroyltri-L-glutamate,RXWVHRYZTWZATH-XSLAGTTESA-N
HMDB12295,77.042495978,C3H9S,C[S+](C)C,InChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1,NRZWQKGABZFFKE,UHFFFAOYSA,N,Trimethyl sulfonium,NRZWQKGABZFFKE-UHFFFAOYSA-N
HMDB12296,116.107539075,C6H14NO,CC(=O)C[N+](C)(C)C,"InChI=1S/C6H14NO/c1-6(8)5-7(2,3)4/h5H2,1-4H3/q+1",LFWNPKYGVKNNAB,UHFFFAOYSA,N,Trimethylaminoacetone,LFWNPKYGVKNNAB-UHFFFAOYSA-N
HMDB12299,592.449160408,C39H60O4,COC1=C(O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=C1OC,"InChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+",DYOSCPIQEYRQEO,LPHQIWJTSA,N,Ubiquinol-6,DYOSCPIQEYRQEO-LPHQIWJTSA-N
HMDB12300,548.04445569,C15H22N2O16P2,C[C@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)C1=O,"InChI=1S/C15H22N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6-,9-,10+,11-,12-,13-,14+/m1/s1",DDWGQQADOIMFOI,XRTQJECLSA,N,UDP-4-dehydro-6-deoxy-D-glucose,DDWGQQADOIMFOI-XRTQJECLSA-N
HMDB12301,536.04445569,C14H22N2O16P2,OC[C@@]1(O)CO[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@@H]1O,"InChI=1S/C14H22N2O16P2/c17-4-14(23)5-28-12(10(14)21)31-34(26,27)32-33(24,25)29-3-6-8(19)9(20)11(30-6)16-2-1-7(18)15-13(16)22/h1-2,6,8-12,17,19-21,23H,3-5H2,(H,24,25)(H,26,27)(H,15,18,22)/t6-,8-,9-,10+,11-,12+,14-/m1/s1",SYVORCSTSYHSPN,VPPDZDBCSA,N,UDP-D-apiose,SYVORCSTSYHSPN-VPPDZDBCSA-N
HMDB12302,580.034284934,C15H22N2O18P2,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8-,9-,10-,11+,12-,14-/m1/s1",HDYANYHVCAPMJV,GXNRKQDOSA,N,UDP-D-galacturonate,HDYANYHVCAPMJV-GXNRKQDOSA-N
HMDB12303,536.04445569,C14H22N2O16P2,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1",DQQDLYVHOTZLOR,IAZOVDBXSA,N,UDP-L-arabinose,DQQDLYVHOTZLOR-IAZOVDBXSA-N
HMDB12304,580.034284934,C15H22N2O18P2,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11-,12-,14-/m1/s1",HDYANYHVCAPMJV,NTWGTYGRSA,N,UDP-L-iduronate,HDYANYHVCAPMJV-NTWGTYGRSA-N
HMDB12305,550.060105754,C15H24N2O16P2,C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13+,14+/m0/s1",DRDCJEIZVLVWNC,SLBWPEPYSA,N,UDP-L-rhamnose,DRDCJEIZVLVWNC-SLBWPEPYSA-N
HMDB12306,1346.769837942,C71H116N2O18P2,OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1NC(=O)C,"InChI=1S/C71H116N2O18P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-86-92(82,83)91-93(84,85)90-71-63(73-60(14)76)65(78)67(61(47-74)87-71)88-70-62(72-59(13)75)64(77)66(79)68(89-70)69(80)81/h25,27,29,31,33,35,37,39,41,43,45,61-68,70-71,74,77-79H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)(H,84,85)/b49-27+,50-29+,51-31+,52-33+,53-35+,54-37+,55-39+,56-41+,57-43+,58-45+/t61-,62+,63-,64-,65-,66+,67-,68+,70-,71-/m1/s1",IGGGNUSEBUZFTR,CDDUTUKUSA,N,Undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate,IGGGNUSEBUZFTR-CDDUTUKUSA-N
HMDB12307,1533.854295851,C79H129N3O22P2,OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[C@H]2O[C@H](C)C(NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1NC(=O)C,"InChI=1S/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/b51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+/t61-,65-,66?,67+,68-,69+,70-,71-,72-,73-,74+,75+,77-,78-,79-/m1/s1",PSONHUYFSWYIME,JNYPHZTQSA,N,"Undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose pyrophosphate",PSONHUYFSWYIME-JNYPHZTQSA-N
HMDB12308,152.047344122,C8H8O3,COC1=CC(C=O)=CC=C1O,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",MWOOGOJBHIARFG,UHFFFAOYSA,N,Vanillin,MWOOGOJBHIARFG-UHFFFAOYSA-N
HMDB12309,153.078978601,C8H11NO2,COC1=CC(CN)=CC=C1O,"InChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3",WRPWWVNUCXQDQV,UHFFFAOYSA,N,Vanillylamine,WRPWWVNUCXQDQV-UHFFFAOYSA-N
HMDB12310,511.118132638,C17H29N4O8P2S,CC[C@H](C)C(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1,"InChI=1S/C17H28N4O8P2S/c1-5-10(2)15(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)14(32-17)6-7-28-31(26,27)29-30(23,24)25/h8,10,15,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/t10-,15?/m0/s1",CUBSXOWPMAOFDG,MYHCZTBNSA,O,2-Methyl-1-hydroxybutyl-ThPP,CUBSXOWPMAOFDG-MYHCZTBNSA-O
HMDB12311,723.459132745,C36H69NO11S,CCCCCCCCCCCCC\C=C\[C@](O)([H])[C@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C36H69NO11S/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(37-32(40)26-24-22-20-17-12-10-8-6-4-2)28-46-36-34(42)35(48-49(43,44)45)33(41)31(27-38)47-36/h23,25,29-31,33-36,38-39,41-42H,3-22,24,26-28H2,1-2H3,(H,37,40)(H,43,44,45)/b25-23+/t29-,30+,31+,33-,34?,35?,36+/m0/s1",FWVDYZZBQLRRDU,YHVLGNOMSA,N,3-O-Sulfogalactosylceramide (d18:1/12:0),FWVDYZZBQLRRDU-YHVLGNOMSA-N
HMDB12312,751.490432873,C38H73NO11S,CCCCCCCCCCCCC\C=C\[C@](O)([H])[C@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C38H73NO11S/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(41)31(39-34(42)28-26-24-22-20-17-14-12-10-8-6-4-2)30-48-38-36(44)37(50-51(45,46)47)35(43)33(29-40)49-38/h25,27,31-33,35-38,40-41,43-44H,3-24,26,28-30H2,1-2H3,(H,39,42)(H,45,46,47)/b27-25+/t31-,32+,33+,35-,36?,37?,38+/m0/s1",IDRDZZHQLBFQMN,DFHIDUAUSA,N,3-O-Sulfogalactosylceramide (d18:1/14:0),IDRDZZHQLBFQMN-DFHIDUAUSA-N
HMDB12313,779.521733001,C40H77NO11S,CCCCCCCCCCCCCCCC(=O)N[C@@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)[C@@](O)([H])\C=C\CCCCCCCCCCCCC,"InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/b29-27+/t33-,34+,35+,37-,38?,39?,40+/m0/s1",CJGVDSGIQZDLDO,BMYWYRRPSA,N,3-O-Sulfogalactosylceramide (d18:1/16:0),CJGVDSGIQZDLDO-BMYWYRRPSA-N
HMDB12314,807.553033129,C42H81NO11S,CCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)[C@@](O)([H])\C=C\CCCCCCCCCCCCC,"InChI=1S/C42H81NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h29,31,35-37,39-42,44-45,47-48H,3-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b31-29+/t35-,36+,37+,39-,40?,41?,42+/m0/s1",GQQZXRPXBDJABR,XMDONHODSA,N,3-O-Sulfogalactosylceramide (d18:1/18:0),GQQZXRPXBDJABR-XMDONHODSA-N
HMDB12315,835.584333257,C44H85NO11S,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)[C@@](O)([H])\C=C\CCCCCCCCCCCCC,"InChI=1S/C44H85NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-54-44-42(50)43(56-57(51,52)53)41(49)39(35-46)55-44/h31,33,37-39,41-44,46-47,49-50H,3-30,32,34-36H2,1-2H3,(H,45,48)(H,51,52,53)/b33-31+/t37-,38+,39+,41-,42?,43?,44+/m0/s1",AURCBSWGPREGRQ,VGNRXBDKSA,N,3-O-Sulfogalactosylceramide (d18:1/20:0),AURCBSWGPREGRQ-VGNRXBDKSA-N
HMDB12316,863.615633385,C46H89NO11S,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)[C@@](O)([H])\C=C\CCCCCCCCCCCCC,"InChI=1S/C46H89NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-56-46-44(52)45(58-59(53,54)55)43(51)41(37-48)57-46/h33,35,39-41,43-46,48-49,51-52H,3-32,34,36-38H2,1-2H3,(H,47,50)(H,53,54,55)/b35-33+/t39-,40+,41+,43-,44?,45?,46+/m0/s1",UAKYQMHTPLVMJD,GJOJTGTQSA,N,3-O-Sulfogalactosylceramide (d18:1/22:0),UAKYQMHTPLVMJD-GJOJTGTQSA-N
HMDB12317,805.537383065,C42H79NO11S,CCCCCCCCCCCCC\C=C\[C@](O)([H])[C@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H79NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h17-18,29,31,35-37,39-42,44-45,47-48H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b18-17-,31-29+/t35-,36+,37+,39-,40?,41?,42+/m0/s1",NXJDPFSYOMFVES,SUTPNROZSA,N,3-O-Sulfogalactosylceramide (d18:1/18:1(9Z)),NXJDPFSYOMFVES-SUTPNROZSA-N
HMDB12318,889.631283449,C48H91NO11S,CCCCCCCCCCCCC\C=C\[C@](O)([H])[C@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46?,47?,48+/m0/s1",ZZQWQNAZXFNSEP,YEWIENRVSA,N,3-O-Sulfogalactosylceramide (d18:1/24:1(15Z)),ZZQWQNAZXFNSEP-YEWIENRVSA-N
HMDB12319,917.662583577,C50H95NO11S,CCCCCCCCCCCCC\C=C\[C@](O)([H])[C@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C50H95NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)42-60-50-48(56)49(62-63(57,58)59)47(55)45(41-52)61-50/h17-18,37,39,43-45,47-50,52-53,55-56H,3-16,19-36,38,40-42H2,1-2H3,(H,51,54)(H,57,58,59)/b18-17-,39-37+/t43-,44+,45+,47-,48?,49?,50+/m0/s1",PUKCSTQGOYUVRY,NJAKTLKSSA,N,3-O-Sulfogalactosylceramide (d18:1/26:1(17Z)),PUKCSTQGOYUVRY-NJAKTLKSSA-N
HMDB12320,643.502318189,C36H69NO8,CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,"InChI=1S/C36H69NO8/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(28-44-36-35(43)34(42)33(41)31(27-38)45-36)37-32(40)26-24-22-20-17-12-10-8-6-4-2/h23,25,29-31,33-36,38-39,41-43H,3-22,24,26-28H2,1-2H3,(H,37,40)/b25-23-/t29?,30?,31-,33+,34+,35-,36-/m1/s1",IYCYEZLMOLRFAN,KXKCTSJCSA,N,Galactosylceramide (d18:1/12:0),IYCYEZLMOLRFAN-KXKCTSJCSA-N
HMDB12321,671.533618317,C38H73NO8,CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,"InChI=1S/C38H73NO8/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(41)31(30-46-38-37(45)36(44)35(43)33(29-40)47-38)39-34(42)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,31-33,35-38,40-41,43-45H,3-24,26,28-30H2,1-2H3,(H,39,42)/b27-25-/t31?,32?,33-,35+,36+,37-,38-/m1/s1",BDGGMKFFYWPIFU,RVGPXRCNSA,N,Galactosylceramide (d18:1/14:0),BDGGMKFFYWPIFU-RVGPXRCNSA-N
HMDB12322,144.057514878,C10H8O,OC1=CC2=CC=CC=C2C=C1,"InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",JWAZRIHNYRIHIV,UHFFFAOYSA,N,2-Naphthol,JWAZRIHNYRIHIV-UHFFFAOYSA-N
HMDB12325,150.05282343,C5H10O5,OC[C@@H]1OC(O)[C@H](O)[C@H]1O,"InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5?/m0/s1",HMFHBZSHGGEWLO,HWQSCIPKSA,N,Arabinofuranose,HMFHBZSHGGEWLO-HWQSCIPKSA-N
HMDB12326,180.063388116,C6H12O6,OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6?/m0/s1",WQZGKKKJIJFFOK,QRXFDPRISA,N,L-Gulose,WQZGKKKJIJFFOK-QRXFDPRISA-N
HMDB12327,164.068473494,C6H12O5,OC[C@H]1OC(O)C[C@@H](O)[C@H]1O,"InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6-/m1/s1",PMMURAAUARKVCB,DUVQVXGLSA,N,2-Deoxygalactopyranose,PMMURAAUARKVCB-DUVQVXGLSA-N
HMDB12328,254.224580204,C16H30O2,CCCCCC\C=C\CCCCCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+",SECPZKHBENQXJG,BQYQJAHWSA,N,Palmitelaidic acid,SECPZKHBENQXJG-BQYQJAHWSA-N
HMDB12329,300.20893014,C20H28O2,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C,"InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+",PLIUCYCUYQIBDZ,RMWYGNQTSA,N,4-Oxoretinol,PLIUCYCUYQIBDZ-RMWYGNQTSA-N
HMDB12330,679.442434327,C34H66NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,"InChI=1S/C34H66NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31H,3-29,35H2,1-2H3,(H,38,39)(H,40,41)/t30-,31+/m1/s1",WKJDWDLHIOUPPL,JSOSNVBQSA,N,PS(14:0/14:0),WKJDWDLHIOUPPL-JSOSNVBQSA-N
HMDB12331,677.426784263,C34H64NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,"InChI=1S/C34H64NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,30-31H,3-9,11,13-29,35H2,1-2H3,(H,38,39)(H,40,41)/b12-10-/t30-,31+/m1/s1",UJDLXQDMWGXLFK,XJFGLLPISA,N,PS(14:0/14:1(9Z)),UJDLXQDMWGXLFK-XJFGLLPISA-N
HMDB12332,707.473734456,C36H70NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C36H70NO10P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(39)47-32(30-45-48(42,43)46-31-33(37)36(40)41)29-44-34(38)27-25-23-21-19-17-14-12-10-8-6-4-2/h32-33H,3-31,37H2,1-2H3,(H,40,41)(H,42,43)/t32-,33+/m1/s1",CMEYODOSAQTQFO,SAIUNTKASA,N,PS(14:0/16:0),CMEYODOSAQTQFO-SAIUNTKASA-N
HMDB12333,705.458084392,C36H68NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,"InChI=1S/C36H68NO10P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(39)47-32(30-45-48(42,43)46-31-33(37)36(40)41)29-44-34(38)27-25-23-21-19-17-14-12-10-8-6-4-2/h13,15,32-33H,3-12,14,16-31,37H2,1-2H3,(H,40,41)(H,42,43)/b15-13-/t32-,33+/m1/s1",DPYXPLKOAXFWHZ,BKTZGLHTSA,N,PS(14:0/16:1(9Z)),DPYXPLKOAXFWHZ-BKTZGLHTSA-N
HMDB12334,735.505034585,C38H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C38H74NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45)/t34-,35+/m1/s1",RVGPYZRIGMTXEE,GPOMZPHUSA,N,PS(14:0/18:0),RVGPYZRIGMTXEE-GPOMZPHUSA-N
HMDB12335,733.48938452,C38H72NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,"InChI=1S/C38H72NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,34-35H,3-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b17-16-/t34-,35+/m1/s1",BICJOKCGLBSQJG,ZZURSVERSA,N,PS(14:0/18:1(9Z)),BICJOKCGLBSQJG-ZZURSVERSA-N
HMDB12336,731.473733977,C38H70NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C38H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,34-35H,3-10,12,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b13-11-,17-16-/t34-,35+/m1/s1",QPLGPOYWQGNODB,OPLANILISA,N,"PS(14:0/18:2(9Z,12Z))",QPLGPOYWQGNODB-OPLANILISA-N
HMDB12337,729.458083913,C38H68NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C38H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,34-35H,3-4,6,8-10,12,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b7-5-,13-11-,17-16-/t34-,35+/m1/s1",QLJZCKICKVUGKY,LDEMPGCNSA,N,"PS(14:0/18:3(9Z,12Z,15Z))",QLJZCKICKVUGKY-LDEMPGCNSA-N
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HMDB12406,831.505034105,C46H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C46H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,32,34,42-43H,3-4,6,8-10,15-16,20,24-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t42-,43+/m1/s1",UKKRKBLKOFZCGO,NJNSWFATSA,N,"PS(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UKKRKBLKOFZCGO-NJNSWFATSA-N
HMDB12407,729.458083913,C38H68NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC)C(O)=O,"InChI=1S/C38H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,34-35H,3-4,6,8-10,12,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b7-5-,13-11-,17-16-/t34-,35+/m1/s1",AFHWQMHDUBIRGJ,LDEMPGCNSA,N,"PS(18:3(9Z,12Z,15Z)/14:0)",AFHWQMHDUBIRGJ-LDEMPGCNSA-N
HMDB12408,727.442433849,C38H66NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,"InChI=1S/C38H66NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,34-35H,3-4,6,8-9,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b7-5-,12-10-,13-11-,17-16-/t34-,35+/m1/s1",FMGPGIMIGMLEBQ,JHJZYHDZSA,N,"PS(18:3(9Z,12Z,15Z)/14:1(9Z))",FMGPGIMIGMLEBQ-JHJZYHDZSA-N
HMDB12409,757.489384041,C40H72NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C40H72NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37H,3-4,6,8-10,12,14-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b7-5-,13-11-,18-17-/t36-,37+/m1/s1",MGXXGWZPTJJSOQ,HPYWTVDESA,N,"PS(18:3(9Z,12Z,15Z)/16:0)",MGXXGWZPTJJSOQ-HPYWTVDESA-N
HMDB12410,755.473733977,C40H70NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,"InChI=1S/C40H70NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,36-37H,3-4,6,8-10,12,15,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b7-5-,13-11-,16-14-,18-17-/t36-,37+/m1/s1",LHTUAQKPVMSBIN,QUQIOBLVSA,N,"PS(18:3(9Z,12Z,15Z)/16:1(9Z))",LHTUAQKPVMSBIN-QUQIOBLVSA-N
HMDB12411,785.520684169,C42H76NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,38-39H,3-4,6,8-10,12,14-16,18,20-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,13-11-,19-17-/t38-,39+/m1/s1",DBFYXFUOCIHCAH,YHTHSIKYSA,N,"PS(18:3(9Z,12Z,15Z)/18:0)",DBFYXFUOCIHCAH-YHTHSIKYSA-N
HMDB12412,783.505034105,C42H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,"InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,38-39H,3-4,6,8-10,12,14-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,13-11-,19-17-,20-18-/t38-,39+/m1/s1",FCMMQVCGAUYOQK,SRXFDEGJSA,N,"PS(18:3(9Z,12Z,15Z)/18:1(9Z))",FCMMQVCGAUYOQK-SRXFDEGJSA-N
HMDB12413,781.489384041,C42H72NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C42H72NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39H,3-4,6,8-10,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+/m1/s1",AWEPSNSNLDEOBY,OXPNCLBLSA,N,"PS(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",AWEPSNSNLDEOBY-OXPNCLBLSA-N
HMDB12414,779.473733977,C42H70NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C42H70NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39H,3-4,9-10,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39+/m1/s1",MIZPDGHDRVZLTB,AIDFJJIJSA,N,"PS(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",MIZPDGHDRVZLTB-AIDFJJIJSA-N
HMDB12415,807.505034105,C44H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,40-41H,3-5,7,9-10,15-16,20,23,25-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t40-,41+/m1/s1",BTLPXUBRNVYZGB,BOQOQJINSA,N,"PS(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))",BTLPXUBRNVYZGB-BOQOQJINSA-N
HMDB12416,805.489384041,C44H72NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C44H72NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,40-41H,3-5,7,9-10,15-16,20,23,25-27,29,31-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t40-,41+/m1/s1",ASUQQNMFKHYMOQ,NWRSTASVSA,N,"PS(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",ASUQQNMFKHYMOQ-NWRSTASVSA-N
HMDB12417,829.489384041,C46H72NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C46H72NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,42-43H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t42-,43+/m1/s1",YMQXVTUOIKUZOT,VANZJBBMSA,N,"PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YMQXVTUOIKUZOT-VANZJBBMSA-N
HMDB12418,757.489384041,C40H72NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,"InChI=1S/C40H72NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,36-37H,3-10,12,14-15,18,21-35,41H2,1-2H3,(H,44,45)(H,46,47)/b13-11-,17-16-,20-19-/t36-,37+/m1/s1",RGLIERIRKNERBJ,HNOMVOJUSA,N,"PS(20:3(8Z,11Z,14Z)/14:0)",RGLIERIRKNERBJ-HNOMVOJUSA-N
HMDB12419,755.473733977,C40H70NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,"InChI=1S/C40H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,36-37H,3-9,14-15,18,21-35,41H2,1-2H3,(H,44,45)(H,46,47)/b12-10-,13-11-,17-16-,20-19-/t36-,37+/m1/s1",HXXMGAYGVAIPCD,LAZWMPESSA,N,"PS(20:3(8Z,11Z,14Z)/14:1(9Z))",HXXMGAYGVAIPCD-LAZWMPESSA-N
HMDB12420,785.520684169,C42H76NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C42H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,38-39H,3-10,12,14-16,19,21,23-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,18-17-,22-20-/t38-,39+/m1/s1",KEDXPDZZNJECIF,BDVHGAHCSA,N,"PS(20:3(8Z,11Z,14Z)/16:0)",KEDXPDZZNJECIF-BDVHGAHCSA-N
HMDB12421,783.505034105,C42H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,"InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,38-39H,3-10,12,15,19,21,23-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,16-14-,18-17-,22-20-/t38-,39+/m1/s1",JOPLYMFHYSLQEE,DTHZZQGCSA,N,"PS(20:3(8Z,11Z,14Z)/16:1(9Z))",JOPLYMFHYSLQEE-DTHZZQGCSA-N
HMDB12422,813.551984297,C44H80NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,40-41H,3-10,12,14-16,18,20-21,24-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,23-22-/t40-,41+/m1/s1",HSHHRUKTYXRZMP,FXYHNKMMSA,N,"PS(20:3(8Z,11Z,14Z)/18:0)",HSHHRUKTYXRZMP-FXYHNKMMSA-N
HMDB12423,811.536334233,C44H78NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,"InChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,40-41H,3-10,12,14-16,20,24-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,21-18-,23-22-/t40-,41+/m1/s1",GXKSIBMRXCMFJL,HVMMZRTESA,N,"PS(20:3(8Z,11Z,14Z)/18:1(9Z))",GXKSIBMRXCMFJL-HVMMZRTESA-N
HMDB12424,809.520684169,C44H76NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C44H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,40-41H,3-10,15-16,20,24-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,14-12-,19-17-,21-18-,23-22-/t40-,41+/m1/s1",KUGZOCKMPSWEGI,CCWDTQCASA,N,"PS(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))",KUGZOCKMPSWEGI-CCWDTQCASA-N
HMDB12425,807.505034105,C44H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,40-41H,3-5,7,9-10,15-16,20,24-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t40-,41+/m1/s1",QRNALORMYKHPSS,AEVSLFGGSA,N,"PS(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",QRNALORMYKHPSS-AEVSLFGGSA-N
HMDB12426,835.536334233,C46H78NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C46H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,42-43H,3-10,15-16,21-22,27-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t42-,43+/m1/s1",WRPSJPJIWZQQBY,OAQYUCESSA,N,"PS(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",WRPSJPJIWZQQBY-OAQYUCESSA-N
HMDB12427,833.520684169,C46H76NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C46H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,30,32,42-43H,3-10,15-16,21-22,27-29,31,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t42-,43+/m1/s1",QIELVOPMFCPTPX,RTYIZSBCSA,N,"PS(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",QIELVOPMFCPTPX-RTYIZSBCSA-N
HMDB12428,857.520684169,C48H76NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C48H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(51)59-44(42-57-60(54,55)58-43-45(49)48(52)53)41-56-46(50)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,34,36,44-45H,3-4,6,8-10,15-16,21,23,26,29,31-33,35,37-43,49H2,1-2H3,(H,52,53)(H,54,55)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t44-,45+/m1/s1",QPQIUVRFRMEHGI,KTIJQTJVSA,N,"PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QPQIUVRFRMEHGI-KTIJQTJVSA-N
HMDB12429,755.473733977,C40H70NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,"InChI=1S/C40H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,23,25,36-37H,3-10,12,14-15,18,21-22,24,26-35,41H2,1-2H3,(H,44,45)(H,46,47)/b13-11-,17-16-,20-19-,25-23-/t36-,37+/m1/s1",MREPAPYBBMQUGH,RXQCRTGQSA,N,"PS(20:4(5Z,8Z,11Z,14Z)/14:0)",MREPAPYBBMQUGH-RXQCRTGQSA-N
HMDB12430,753.458083913,C40H68NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,"InChI=1S/C40H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,23,25,36-37H,3-9,14-15,18,21-22,24,26-35,41H2,1-2H3,(H,44,45)(H,46,47)/b12-10-,13-11-,17-16-,20-19-,25-23-/t36-,37+/m1/s1",GHAIZGVIVLPOCT,PFJWXCNISA,N,"PS(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))",GHAIZGVIVLPOCT-PFJWXCNISA-N
HMDB12431,783.505034105,C42H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,25,27,38-39H,3-10,12,14-16,19,21,23-24,26,28-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,18-17-,22-20-,27-25-/t38-,39+/m1/s1",YGVOIKRHQZUTHL,UTORSVHMSA,N,"PS(20:4(5Z,8Z,11Z,14Z)/16:0)",YGVOIKRHQZUTHL-UTORSVHMSA-N
HMDB12432,781.489384041,C42H72NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,"InChI=1S/C42H72NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,25,27,38-39H,3-10,12,15,19,21,23-24,26,28-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,16-14-,18-17-,22-20-,27-25-/t38-,39+/m1/s1",NNEQNJVWFDXEJC,CEJZXFFHSA,N,"PS(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",NNEQNJVWFDXEJC-CEJZXFFHSA-N
HMDB12433,811.536334233,C44H78NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,27,29,40-41H,3-10,12,14-16,18,20-21,24-26,28,30-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,23-22-,29-27-/t40-,41+/m1/s1",UTSXKUOHAAGJOV,JLUUWOCLSA,N,"PS(20:4(5Z,8Z,11Z,14Z)/18:0)",UTSXKUOHAAGJOV-JLUUWOCLSA-N
HMDB12434,809.520684169,C44H76NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,"InChI=1S/C44H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,40-41H,3-10,12,14-16,20,24-26,28,30-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,21-18-,23-22-,29-27-/t40-,41+/m1/s1",LGGPSGMSHAHERE,VIPJVEDPSA,N,"PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",LGGPSGMSHAHERE-VIPJVEDPSA-N
HMDB12435,807.505034105,C44H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,27,29,40-41H,3-10,15-16,20,24-26,28,30-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t40-,41+/m1/s1",IMFXGMHNQVOQML,OWBKYCPESA,N,"PS(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",IMFXGMHNQVOQML-OWBKYCPESA-N
HMDB12436,805.489384041,C44H72NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C44H72NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,27,29,40-41H,3-5,7,9-10,15-16,20,24-26,28,30-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t40-,41+/m1/s1",CGJCGZFZCCXDBN,HDFIUYKYSA,N,"PS(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",CGJCGZFZCCXDBN-HDFIUYKYSA-N
HMDB12437,833.520684169,C46H76NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C46H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29,31,42-43H,3-10,15-16,21-22,27-28,30,32-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t42-,43+/m1/s1",IEHVRLNIHFLLMS,WUDDRQCASA,N,"PS(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",IEHVRLNIHFLLMS-WUDDRQCASA-N
HMDB12438,831.505034105,C46H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C46H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,42-43H,3-10,15-16,21-22,27-28,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t42-,43+/m1/s1",UCOKPDJELMQSGF,LVOHFYTISA,N,"PS(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",UCOKPDJELMQSGF-LVOHFYTISA-N
HMDB12439,855.505034105,C48H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C48H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(51)59-44(42-57-60(54,55)58-43-45(49)48(52)53)41-56-46(50)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33-34,36,44-45H,3-4,6,8-10,15-16,21,23,26,29,32,35,37-43,49H2,1-2H3,(H,52,53)(H,54,55)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t44-,45+/m1/s1",KJECAXDORGQZQA,XRQJXPHHSA,N,"PS(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KJECAXDORGQZQA-XRQJXPHHSA-N
HMDB12440,779.473733977,C42H70NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC)C(O)=O,"InChI=1S/C42H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,27,29,38-39H,3-4,6,8-10,12,14-15,18,21,23,25-26,28,30-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,13-11-,17-16-,20-19-,24-22-,29-27-/t38-,39+/m1/s1",DABYYQOIKAUMAY,XUDFWVPRSA,N,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)",DABYYQOIKAUMAY-XUDFWVPRSA-N
HMDB12441,777.458083913,C42H68NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,"InChI=1S/C42H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,27,29,38-39H,3-4,6,8-9,14-15,18,21,23,25-26,28,30-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,29-27-/t38-,39+/m1/s1",WNNNJZFLCHPEJJ,WRQJVKDISA,N,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",WNNNJZFLCHPEJJ-WRQJVKDISA-N
HMDB12442,807.505034105,C44H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,29,31,40-41H,3-4,6,8-10,12,14-16,19,22-23,26-28,30,32-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,13-11-,18-17-,21-20-,25-24-,31-29-/t40-,41+/m1/s1",JXLHYMMCWFGINH,MUPPCIMWSA,N,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",JXLHYMMCWFGINH-MUPPCIMWSA-N
HMDB12443,805.489384041,C44H72NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,"InChI=1S/C44H72NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,29,31,40-41H,3-4,6,8-10,12,15,19,22-23,26-28,30,32-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-,31-29-/t40-,41+/m1/s1",VHYFFLCGQMNZNB,GZFDAEJUSA,N,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",VHYFFLCGQMNZNB-GZFDAEJUSA-N
HMDB12444,835.536334233,C46H78NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C46H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,42-43H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t42-,43+/m1/s1",YZPDRIODLGOXPQ,VQXQEPRVSA,N,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",YZPDRIODLGOXPQ-VQXQEPRVSA-N
HMDB12445,833.520684169,C46H76NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,"InChI=1S/C46H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,31,33,42-43H,3-4,6,8-10,12,14-16,20,24,26,28-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t42-,43+/m1/s1",RLZWFRUSWOIHNV,ZPDXEMAHSA,N,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",RLZWFRUSWOIHNV-ZPDXEMAHSA-N
HMDB12446,831.505034105,C46H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C46H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,31,33,42-43H,3-4,6,8-10,15-16,20,24,26,28-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t42-,43+/m1/s1",VVERZAZYIVOOPX,JCXXYJEVSA,N,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",VVERZAZYIVOOPX-JCXXYJEVSA-N
HMDB12447,829.489384041,C46H72NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C46H72NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27,31,33,42-43H,3-4,9-10,15-16,20,24,26,28-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t42-,43+/m1/s1",QWJIMQQYHINMQE,QJJGVXGTSA,N,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",QWJIMQQYHINMQE-QJJGVXGTSA-N
HMDB12448,857.520684169,C48H76NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C48H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(50)56-41-44(42-57-60(54,55)58-43-45(49)48(52)53)59-47(51)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,33,35,44-45H,3-4,6,8-10,15-16,21,23,25,30-32,34,36-43,49H2,1-2H3,(H,52,53)(H,54,55)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t44-,45+/m1/s1",IENWKZPCOMXACK,NGQBJKLHSA,N,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))",IENWKZPCOMXACK-NGQBJKLHSA-N
HMDB12449,855.505034105,C48H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,"InChI=1S/C48H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(50)56-41-44(42-57-60(54,55)58-43-45(49)48(52)53)59-47(51)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,32-35,44-45H,3-4,6,8-10,15-16,21,23,25,30-31,36-43,49H2,1-2H3,(H,52,53)(H,54,55)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t44-,45+/m1/s1",KOIAYCUGSWJEHX,DQKFIKIFSA,N,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",KOIAYCUGSWJEHX-DQKFIKIFSA-N
HMDB12450,879.505034105,C50H74NO10P,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C50H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,46-47H,3-4,9-10,15-16,21-22,27-28,33-34,39-45,51H2,1-2H3,(H,54,55)(H,56,57)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t46-,47+/m1/s1",RJCZACBLQGCNCW,MCEXTTDUSA,N,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RJCZACBLQGCNCW-MCEXTTDUSA-N
HMDB12451,316.203844762,C20H28O3,C\C(\C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C(/C)=C/C(O)=O,"InChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/b9-6+,13-10+,15-8+,16-14+",KEEHJLBAOLGBJZ,WEDZBJJJSA,N,"all-trans-5,6-Epoxyretinoic acid",KEEHJLBAOLGBJZ-WEDZBJJJSA-N
HMDB12452,316.203844762,C20H28O3,C\C(\C=C\C1=C(CO)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,"InChI=1S/C20H28O3/c1-15(7-5-8-16(2)13-19(22)23)10-11-18-17(14-21)9-6-12-20(18,3)4/h5,7-8,10-11,13,21H,6,9,12,14H2,1-4H3,(H,22,23)/b8-5+,11-10+,15-7+,16-13+",XSJOIRFEYHJNAW,FCKHSPHMSA,N,all-trans-18-Hydroxyretinoic acid,XSJOIRFEYHJNAW-FCKHSPHMSA-N
HMDB12453,416.329045274,C27H44O3,C[C@H](CCCC(C)C(O)=O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/t17-,18?,20+,21?,22?,23?,24?,26+,27-/m1/s1",WVXOMPRLWLXFAP,UBJAGWMESA,N,3 beta-Hydroxy-5-cholestenoate,WVXOMPRLWLXFAP-UBJAGWMESA-N
HMDB12454,432.323959896,C27H44O4,C[C@H](CCCC(C)C(O)=O)C1CCC2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20?,21?,22?,23-,24?,26+,27-/m1/s1",GYJSAWZGYQXRBS,BJGNZVHYSA,N,"3 beta,7 alpha-Dihydroxy-5-cholestenoate",GYJSAWZGYQXRBS-BJGNZVHYSA-N
HMDB12455,420.360345402,C27H48O3,CC(CO)CCC[C@@H](C)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17?,18-,19?,20-,21?,22?,23?,24-,25?,26+,27-/m1/s1",OQIJRBFRXGIHMI,KZQGXEQDSA,N,"3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane",OQIJRBFRXGIHMI-KZQGXEQDSA-N
HMDB12456,1199.439168261,C48H80N7O20P3S,[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C48H80N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25?,26?,27-,28+,29?,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1",SZBMUAIJWNJARR,ATZLTZGYSA,N,"3 alpha,7 alpha,24-Trihydroxy-5beta-cholestanoyl-CoA",SZBMUAIJWNJARR-ATZLTZGYSA-N
HMDB12457,416.329045274,C27H44O3,CC(C)C(O)CC[C@@H](C)C1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20?,21?,22?,23?,24-,25?,26+,27-/m1/s1",LFFHZNXDGBQZCO,PXNWSTMDSA,N,"7 alpha,24-Dihydroxy-4-cholesten-3-one",LFFHZNXDGBQZCO-PXNWSTMDSA-N
HMDB12458,430.308309832,C27H42O4,C[C@H](CCCC(C)C(O)=O)C1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20?,21?,22?,23-,24?,26+,27-/m1/s1",SATGKQGFUDXGAX,KFNQEEOWSA,N,7 alpha-Hydroxy-3-oxo-4-cholestenoate,SATGKQGFUDXGAX-KFNQEEOWSA-N
HMDB12459,416.329045274,C27H44O3,CC(CO)CCC[C@@H](C)C1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21?,22?,23?,24-,25?,26+,27-/m1/s1",KVJVJJWIEXCECB,JZGXDVPNSA,N,"7 alpha,26-Dihydroxy-4-cholesten-3-one",KVJVJJWIEXCECB-JZGXDVPNSA-N
HMDB12467,369.028027704,C15H13O9S,OC1=CC(O)=C2OC([C@@H](CC2=C1)OS([O-])(=O)=O)C1=CC=C(O)C(O)=C1,"InChI=1S/C15H14O9S/c16-9-3-8-5-13(24-25(20,21)22)15(23-14(8)12(19)6-9)7-1-2-10(17)11(18)4-7/h1-4,6,13,15-19H,5H2,(H,20,21,22)/p-1/t13-,15?/m1/s1",WTXWEAXATVSZQX,AFYYWNPRSA,M,(-)-Epicatechin sulfate,WTXWEAXATVSZQX-AFYYWNPRSA-M
HMDB12468,385.022942326,C15H13O10S,OC1=CC2=C(O[C@H]([C@H](C2)OS([O-])(=O)=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1,"InChI=1S/C15H14O10S/c16-8-1-6-4-12(25-26(21,22)23)15(24-14(6)11(19)5-8)7-2-9(17)13(20)10(18)3-7/h1-3,5,12,15-20H,4H2,(H,21,22,23)/p-1/t12-,15-/m0/s1",PFNBTZIECYHRTC,WFASDCNBSA,M,(-)-Epigallocatechin sulfate,PFNBTZIECYHRTC-WFASDCNBSA-M
HMDB12469,193.110278729,C11H15NO2,COC1=CC2=C(CCN[C@H]2C)C=C1O,"InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3/t7-/m0/s1",YTPRLBGPGZHUPD,ZETCQYMHSA,N,(-)-Salsoline,YTPRLBGPGZHUPD-ZETCQYMHSA-N
HMDB12470,971.266623627,C35H56N7O17P3S,CC(C)CCC[C@H](C)CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C35H60N7O17P3S/c1-21(2)9-7-10-22(3)11-8-12-23(4)34(47)63-16-15-37-25(43)13-14-38-32(46)29(45)35(5,6)18-56-62(53,54)59-61(51,52)55-17-24-28(58-60(48,49)50)27(44)33(57-24)42-20-41-26-30(36)39-19-40-31(26)42/h12,19-22,24,27-29,33,44-45H,7-11,13-18H2,1-6H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b23-12+/t22-,24+,27-,28-,29?,33+/m0/s1",IBMCVYHEOHFMLP,SDDAOAITSA,J,"(2S,6R,10R)-Trimethyl-2E-hendecenoyl-CoA",IBMCVYHEOHFMLP-SDDAOAITSA-J
HMDB12471,973.282273691,C35H58N7O17P3S,CC(C)CCC[C@H](C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C35H62N7O17P3S/c1-21(2)9-7-10-22(3)11-8-12-23(4)34(47)63-16-15-37-25(43)13-14-38-32(46)29(45)35(5,6)18-56-62(53,54)59-61(51,52)55-17-24-28(58-60(48,49)50)27(44)33(57-24)42-20-41-26-30(36)39-19-40-31(26)42/h19-24,27-29,33,44-45H,7-18H2,1-6H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/t22-,23-,24+,27-,28-,29?,33+/m0/s1",QCNISQOYPUIJJO,GUQQFEKDSA,J,"(2S,6R,10R)-Trimethyl-hendecanoyl-CoA",QCNISQOYPUIJJO-GUQQFEKDSA-J
HMDB12472,967.235323499,C35H52N7O17P3S,CCCCC\C=C/C\C=C/C=C/CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C35H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-14,22-24,28-30,34,45-46H,4-7,10,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b9-8-,12-11-,14-13+/t24-,28+,29+,30?,34-/m1/s1",FXHAQFYRGXSRHS,VZIATHHHSA,J,"(3E,5Z,8Z)-Tetradecatrienoyl-CoA",FXHAQFYRGXSRHS-VZIATHHHSA-J
HMDB12473,1013.277188313,C37H58N7O18P3S,CCCCC\C=C/C\C=C/CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C37H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h8-9,11-12,23-26,30-32,36,45,48-49H,4-7,10,13-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b9-8-,12-11-/t25-,26+,30-,31-,32?,36+/m0/s1",FODZOBVFWXSQFM,JUUBWDNMSA,J,"(3S)-3-Hydroxy-cis,cis-palmito-7,10-dienoyl-CoA",FODZOBVFWXSQFM-JUUBWDNMSA-J
HMDB12474,987.261538249,C35H56N7O18P3S,CCCCC\C=C\CCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h8-9,21-24,28-30,34,43,46-47H,4-7,10-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b9-8+/t23-,24+,28-,29-,30?,34+/m0/s1",ZQDIAQJHDIPXDI,WCLGBGKHSA,J,(3S)-3-Hydroxy-cis-8-tetradecenoyl-CoA,ZQDIAQJHDIPXDI-WCLGBGKHSA-J
HMDB12475,911.157467109,C27H44N7O20P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCC(O)=O,"InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,15+,20+,21+,22?,26+/m1/s1",OTEACGAEDCIMBS,IDOHWZMPSA,N,(3S)-3-Hydroxyadipyl-CoA,OTEACGAEDCIMBS-IDOHWZMPSA-N
HMDB12476,959.230238121,C33H52N7O18P3S,CCCCC\C=C/CC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h8-9,19-22,26-28,32,41,44-45H,4-7,10-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b9-8-/t21-,22+,26-,27-,28?,32+/m0/s1",XPCGRNRSXHPWGU,IDCSGFPPSA,J,(3S)-3-Hydroxydodec-cis-6-enoyl-CoA,XPCGRNRSXHPWGU-IDCSGFPPSA-J
HMDB12477,1041.308488441,C39H62N7O18P3S,CCCCC\C=C/C\C=C/CCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h8-9,11-12,25-28,32-34,38,47,50-51H,4-7,10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b9-8-,12-11-/t27-,28+,32-,33-,34?,38+/m0/s1",ICMPOMMDSLXBOC,VDDVCRISSA,J,(3S)-3-Hydroxylinoleoyl-CoA,ICMPOMMDSLXBOC-VDDVCRISSA-J
HMDB12479,1117.339788569,C45H66N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t33-,34-,38+,39+,40?,44-/m0/s1",JJCGUWRDULVWQG,VXLHGKKBSA,J,"(3S)-Hydroxy-tetracosa-6,9,12,15,18,21-all-cis-hexaenoyl-CoA",JJCGUWRDULVWQG-VXLHGKKBSA-J
HMDB12480,999.297923755,C37H60N7O17P3S,CC(C)CCC[C@H](C)CCC[C@H](C)\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C37H64N7O17P3S/c1-23(2)9-7-10-24(3)11-8-12-25(4)13-14-28(46)65-18-17-39-27(45)15-16-40-35(49)32(48)37(5,6)20-58-64(55,56)61-63(53,54)57-19-26-31(60-62(50,51)52)30(47)36(59-26)44-22-43-29-33(38)41-21-42-34(29)44/h13-14,21-26,30-32,36,47-48H,7-12,15-20H2,1-6H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b14-13+/t24-,25-,26+,30-,31-,32?,36+/m0/s1",XDRCVDXWYZRMDN,BFEXNXLWSA,J,"(4R,8R,12R)-Trimethyl-2E-tridecenoyl-CoA",XDRCVDXWYZRMDN-BFEXNXLWSA-J
HMDB12481,352.224974134,C20H32O5,CCCCCC(=O)CC[C@@H]1[C@@H](O)CC(=O)[C@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m0/s1",CUJMXIQZWPZMNQ,PRDMLAEISA,N,"(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprostanoate",CUJMXIQZWPZMNQ-PRDMLAEISA-N
HMDB12482,226.106590334,C9H14N4O3,C[C@H](O)C(O)[C@@H]1CNC2=C(N1)C(=O)N=CN2,"InChI=1S/C9H14N4O3/c1-4(14)7(15)5-2-10-8-6(13-5)9(16)12-3-11-8/h3-5,7,13-15H,2H2,1H3,(H2,10,11,12,16)/t4-,5-,7?/m0/s1",XHZMOKNFPZDZBZ,CNGBTNQNSA,N,"(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin",XHZMOKNFPZDZBZ-CNGBTNQNSA-N
HMDB12484,193.110278729,C11H15NO2,C[C@H]1N(C)CCC2=C1C=CC(O)=C2O,"InChI=1S/C11H15NO2/c1-7-8-3-4-10(13)11(14)9(8)5-6-12(7)2/h3-4,7,13-14H,5-6H2,1-2H3/t7-/m1/s1",AASFZUCQPYZSBW,SSDOTTSWSA,N,"(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline",AASFZUCQPYZSBW-SSDOTTSWSA-N
HMDB12485,134.057908808,C5H10O4,CC(=O)OC[C@@H](O)CO,"InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3/t5-/m0/s1",KMZHZAAOEWVPSE,YFKPBYRVSA,N,(R)-glycerol 1-acetate,KMZHZAAOEWVPSE-YFKPBYRVSA-N
HMDB12486,287.115758037,C16H17NO4,OC1=CC2=C(C=C1O)C(CC1=CC(O)=C(O)C=C1)NCC2,"InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2",ABXZOXDTHTTZJW,UHFFFAOYSA,N,"(R,S)-Norlaudanosoline",ABXZOXDTHTTZJW-UHFFFAOYSA-N
HMDB12487,1015.292838377,C37H60N7O18P3S,CCCCCC\C=C/CCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h9-10,23-26,30-32,36,45,48-49H,4-8,11-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b10-9-/t25-,26+,30-,31-,32?,36+/m0/s1",ZIRSQPAPHGZDIL,HKQFKPPYSA,J,(S)-3-hydroxypalmitoleoyl-CoA,ZIRSQPAPHGZDIL-HKQFKPPYSA-J
HMDB12488,172.100048394,C11H12N2,C1CC2=C(CN1)NC1=C2C=CC=C1,"InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2",CFTOTSJVQRFXOF,UHFFFAOYSA,N,"1,2,3,4-Tetrahydro-beta-carboline",CFTOTSJVQRFXOF-UHFFFAOYSA-N
HMDB12489,133.089149357,C9H11N,C1CC2=C(CN1)C=CC=C2,"InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2",UWYZHKAOTLEWKK,UHFFFAOYSA,N,"1,2,3,4-Tetrahydroisoquinoline",UWYZHKAOTLEWKK-UHFFFAOYSA-N
HMDB12490,177.078978601,C10H11NO2,CC1=NCCC2=C1C=C(O)C(O)=C2,"InChI=1S/C10H11NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-5,12-13H,2-3H2,1H3",DWHSGRLKLUGKOU,UHFFFAOYSA,N,"1,2-Dehydrosalsolinol",DWHSGRLKLUGKOU-UHFFFAOYSA-N
HMDB12491,296.046692194,C12H12N2O5S,N[C@H](CC1=CC(=O)C2=N[C@H](CSC2=C1)C(O)=O)C(O)=O,"InChI=1S/C12H12N2O5S/c13-6(11(16)17)1-5-2-8(15)10-9(3-5)20-4-7(14-10)12(18)19/h2-3,6-7H,1,4,13H2,(H,16,17)(H,18,19)/t6-,7-/m1/s1",NANJICKTJNNTGA,RNFRBKRXSA,N,"1,4-Benzothiazine-O-quinonimine",NANJICKTJNNTGA-RNFRBKRXSA-N
HMDB12492,365.134876036,C17H21N2O7,OCC(O)C(O)C(O)C(O)C1NC(CC2=C1NC1=C2C=CC=C1)C([O-])=O,"InChI=1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)/p-1",LCHFAYIGHOVWSA,UHFFFAOYSA,M,"1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate",LCHFAYIGHOVWSA-UHFFFAOYSA-M
HMDB12494,739.827700986,C6H19O27P7,OP(O)(=O)O[C@H]1[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-/m0/s1",UPHPWXPNZIOZJL,PTQMNWPWSA,N,1-Diphosinositol pentakisphosphate,UPHPWXPNZIOZJL-PTQMNWPWSA-N
HMDB12496,456.22769005,C23H37O7P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])([O-])=O,"InChI=1S/C23H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)30-22(20-24)21-29-31(26,27)28/h6-7,9-10,12-13,15-16,22,24H,2-5,8,11,14,17-21H2,1H3,(H2,26,27,28)/p-2/b7-6-,10-9-,13-12-,16-15-/t22-/m1/s1",BDCFJMBXZCIVRH,NZRYSPDRSA,L,1-Lyso-2-arachidonoyl-phosphatidate,BDCFJMBXZCIVRH-NZRYSPDRSA-L
HMDB12497,69.057849229,C4H7N,C1CC=NC1,"InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2",ZVJHJDDKYZXRJI,UHFFFAOYSA,N,1-Pyrroline,ZVJHJDDKYZXRJI-UHFFFAOYSA-N
HMDB12498,336.230059512,C20H32O4,CCCCC\C=C/CC(=O)CC\C=C\C=C/[C@H](O)CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,19,22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t19-/m0/s1",AHHXLFNPCWCNQF,SOOJVSLFSA,N,"10,11-dihydro-12-oxo-LTB4",AHHXLFNPCWCNQF-SOOJVSLFSA-N
HMDB12501,457.249808675,C23H39NO6S,CCCCC\C=C/C[C@H](O)C\C=C\C=C\[C@@H](SC[C@@H](N)C(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C23H39NO6S/c1-2-3-4-5-6-8-12-18(25)13-9-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h6-10,15,18-21,25-26H,2-5,11-14,16-17,24H2,1H3,(H,27,28)(H,29,30)/b8-6-,9-7+,15-10+/t18-,19+,20-,21+/m0/s1",FZJOTYMARNGISF,YXSOTRFDSA,N,"10,11-Dihydro-12R-hydroxy-leukotriene E4",FZJOTYMARNGISF-YXSOTRFDSA-N
HMDB12502,370.23553882,C20H34O6,OC(O)CCCC\C=C/C[C@H](O)CC\C=C\C=C/[C@H](O)CCCC(O)=O,"InChI=1S/C20H34O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,17-19,21-24H,1,3,7,9-12,14-16H2,(H,25,26)/b5-4+,6-2-,13-8-/t17-,18-/m0/s1",BZDHSIPNZCHPKA,NSBXBVANSA,N,"10,11-dihydro-20-dihydroxy-LTB4",BZDHSIPNZCHPKA-NSBXBVANSA-N
HMDB12503,386.230453442,C20H34O7,O[C@H](CC\C=C\C=C/[C@H](O)CCCC(O)=O)C\C=C/CCCCC(O)(O)O,"InChI=1S/C20H34O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6,8,13,17-18,21-22,25-27H,1,5,7,9-12,14-16H2,(H,23,24)/b4-3+,6-2-,13-8-/t17-,18-/m0/s1",LSVHZFZMMXHHBS,MNBASXMYSA,N,"10,11-dihydro-20-trihydroxy-leukotriene B4",LSVHZFZMMXHHBS-MNBASXMYSA-N
HMDB12504,338.245709576,C20H34O4,CCCCC\C=C/C[C@H](O)CC\C=C\C=C/[C@H](O)CCCC(O)=O,"InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t18-,19-/m0/s1",NKUPFHTVILUPKF,RNEQFKNCSA,N,"10,11-dihydro-leukotriene B4",NKUPFHTVILUPKF-RNEQFKNCSA-N
HMDB12508,320.23514489,C20H32O3,CCCCC\C=C/C\C=C/C(O)\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-10-13-16-19(21)17-14-11-8-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b7-6-,9-8-,16-13-,17-14-",ZUOCVLADVGGUGH,OVMCANAPSA,N,10-HETE,ZUOCVLADVGGUGH-OVMCANAPSA-N
HMDB12515,418.308309832,C26H42O4,C[C@@H](CCC[C@@H](C)CCC(O)=O)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C26H42O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h17-18,29H,7-16H2,1-6H3,(H,27,28)/t17-,18+,26+/m0/s1",FKTCHXAVPYGOSM,CUAXAMRHSA,N,11'-Carboxy-alpha-chromanol,FKTCHXAVPYGOSM-CUAXAMRHSA-N
HMDB12516,414.277009704,C26H38O4,C\C(CC\C=C(/C)CCC(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C26H38O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h10-11,29H,7-9,12-16H2,1-6H3,(H,27,28)/b17-11+,18-10+/t26-/m1/s1",LAVCYAUSHCEKED,KYVGBUAPSA,N,11'-Carboxy-alpha-tocotrienol,LAVCYAUSHCEKED-KYVGBUAPSA-N
HMDB12517,404.292659768,C25H40O4,C[C@@H](CCC[C@@H](C)CCC(O)=O)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C25H40O4/c1-17(8-6-9-18(2)11-12-23(27)28)10-7-14-25(5)15-13-21-16-22(26)19(3)20(4)24(21)29-25/h16-18,26H,6-15H2,1-5H3,(H,27,28)/t17-,18+,25+/m0/s1",IITULCXNOMOXAH,YYULODDRSA,N,11'-Carboxy-gamma-chromanol,IITULCXNOMOXAH-YYULODDRSA-N
HMDB12518,400.26135964,C25H36O4,C\C(CC\C=C(/C)CCC(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C25H36O4/c1-17(8-6-9-18(2)11-12-23(27)28)10-7-14-25(5)15-13-21-16-22(26)19(3)20(4)24(21)29-25/h9-10,16,26H,6-8,11-15H2,1-5H3,(H,27,28)/b17-10+,18-9+/t25-/m1/s1",QRIWRFHSVDRBRJ,LNRRRGPJSA,N,11'-Carboxy-gamma-tocotrienol,QRIWRFHSVDRBRJ-LNRRRGPJSA-N
HMDB12530,394.271924326,C23H38O5,CCCCC\C=C/C=C/[C@@H](O)C\C=C/C\C=C/CCCC(=O)OC(CO)CO,"InChI=1S/C23H38O5/c1-2-3-4-5-7-10-13-16-21(26)17-14-11-8-6-9-12-15-18-23(27)28-22(19-24)20-25/h6-7,9-11,13-14,16,21-22,24-26H,2-5,8,12,15,17-20H2,1H3/b9-6-,10-7-,14-11-,16-13+/t21-/m1/s1",SSHLWLAPLZCWOT,XYOZOUKRSA,N,11-Hydroxyeicosatetraenoate glyceryl ester,SSHLWLAPLZCWOT-XYOZOUKRSA-N
HMDB12533,304.203844762,C19H28O3,C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2O,"InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13?,14?,15-,16-,17?,18-,19-/m0/s1",YQDZGFAYWGWSJK,UALLODJUSA,N,11beta-Hydroxytestosterone,YQDZGFAYWGWSJK-UALLODJUSA-N
HMDB12534,318.219494826,C20H30O3,CC\C=C/C\C=C/C=C/[C@H](O)C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,9-6-,10-7-,14-11-,16-13+/t19-/m0/s1",IDEHSDHMEMMYIR,DJWFCICMSA,N,11R-HEPE,IDEHSDHMEMMYIR-DJWFCICMSA-N
HMDB12535,280.203844762,C17H28O3,CCCCC[C@H](O)\C=C\C=C\C\C=C/CCCC(O)=O,"InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1",KUKJHGXXZWHSBG,WBGSEQOASA,N,12S-HHT,KUKJHGXXZWHSBG-WBGSEQOASA-N
HMDB12549,366.204238692,C20H30O6,O[C@H](CCCC(O)=O)\C=C/C=C/CCC(=O)C\C=C/CCCCC(O)=O,"InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,18,22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t18-/m0/s1",RYMSXFPLTLWXCK,VJNSNPJLSA,N,"12-oxo-10,11-dihydro-20-COOH-LTB4",RYMSXFPLTLWXCK-VJNSNPJLSA-N
HMDB12550,364.188588628,C20H28O6,O[C@H](CCCC(O)=O)\C=C/C=C/C=C/C(=O)C\C=C/CCCCC(O)=O,"InChI=1S/C20H28O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,18,22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1",VLMCDTMNMDDMLC,NZXMSVEXSA,N,12-Oxo-20-carboxy-leukotriene B4,VLMCDTMNMDDMLC-NZXMSVEXSA-N
HMDB12551,366.204238692,C20H30O6,OC(O)CCCC\C=C/CC(=O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O,"InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,18-19,22-24H,1,3,9-11,14-16H2,(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1",SBSLZLBZGOASJL,NZXMSVEXSA,N,12-oxo-20-dihydroxy-leukotriene B4,SBSLZLBZGOASJL-NZXMSVEXSA-N
HMDB12552,350.20932407,C20H30O5,OCCCCC\C=C/CC(=O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O,"InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,19,21,23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t19-/m0/s1",CZWPUWRHQBAXJS,PABROBRYSA,N,12-Oxo-20-hydroxy-leukotriene B4,CZWPUWRHQBAXJS-PABROBRYSA-N
HMDB12553,382.199153314,C20H30O7,O[C@H](CCCC(O)=O)\C=C/C=C/C=C/C(=O)C\C=C/CCCCC(O)(O)O,"InChI=1S/C20H30O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,18,22,25-27H,1,5,9-11,14-16H2,(H,23,24)/b4-3+,6-2-,12-7+,13-8-/t18-/m0/s1",QVZXILIWUPKGPA,CWJNPFRJSA,N,12-Oxo-20-trihydroxy-leukotriene B4,QVZXILIWUPKGPA-CWJNPFRJSA-N
HMDB12555,460.355260024,C29H48O4,C[C@H](CCC[C@H](C)CCC[C@@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C)CCCC(C)C(O)=O,"InChI=1S/C29H48O4/c1-19(13-9-15-21(3)28(31)32)11-8-12-20(2)14-10-17-29(7)18-16-25-24(6)26(30)22(4)23(5)27(25)33-29/h19-21,30H,8-18H2,1-7H3,(H,31,32)/t19-,20+,21?,29+/m1/s1",NJIUWSABAIXPGI,AXTKCOKSSA,N,13'-Carboxy-alpha-tocopherol,NJIUWSABAIXPGI-AXTKCOKSSA-N
HMDB12556,454.308309832,C29H42O4,C\C(CC\C=C(/C)C(O)=O)=C\CC\C(C)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C29H42O4/c1-19(13-9-15-21(3)28(31)32)11-8-12-20(2)14-10-17-29(7)18-16-25-24(6)26(30)22(4)23(5)27(25)33-29/h11,14-15,30H,8-10,12-13,16-18H2,1-7H3,(H,31,32)/b19-11-,20-14-,21-15+/t29-/m1/s1",CBMCFKYSTHHHCC,QZDMETRGSA,N,13'-Carboxy-alpha-tocotrienol,CBMCFKYSTHHHCC-QZDMETRGSA-N
HMDB12557,446.33960996,C28H46O4,C[C@H](CCC[C@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2)CCCC(C)C(O)=O,"InChI=1S/C28H46O4/c1-19(12-8-14-21(3)27(30)31)10-7-11-20(2)13-9-16-28(6)17-15-24-18-25(29)22(4)23(5)26(24)32-28/h18-21,29H,7-17H2,1-6H3,(H,30,31)/t19-,20+,21?,28-/m1/s1",WPZHQZIUOXUCOK,PXUFRVCMSA,N,13'-Carboxy-gamma-tocopherol,WPZHQZIUOXUCOK-PXUFRVCMSA-N
HMDB12558,440.292659768,C28H40O4,C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C28H40O4/c1-19(12-8-14-21(3)27(30)31)10-7-11-20(2)13-9-16-28(6)17-15-24-18-25(29)22(4)23(5)26(24)32-28/h10,13-14,18,29H,7-9,11-12,15-17H2,1-6H3,(H,30,31)/b19-10+,20-13+,21-14+/t28-/m1/s1",UJMZKOBSLDXUHY,YQHRJHOASA,N,13'-Carboxy-gamma-tocotrienol,UJMZKOBSLDXUHY-YQHRJHOASA-N
HMDB12559,446.375995466,C29H50O3,CC(CO)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C29H50O3/c1-20(13-9-14-22(3)19-30)11-8-12-21(2)15-10-17-29(7)18-16-26-25(6)27(31)23(4)24(5)28(26)32-29/h20-22,30-31H,8-19H2,1-7H3/t20-,21+,22?,29+/m0/s1",URYLCCKXLNXSRS,XIRVVSDESA,N,13'-Hydroxy-alpha-tocopherol,URYLCCKXLNXSRS-XIRVVSDESA-N
HMDB12560,440.329045274,C29H44O3,C\C(CO)=C\CC\C(C)=C\CC\C(C)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C29H44O3/c1-20(13-9-14-22(3)19-30)11-8-12-21(2)15-10-17-29(7)18-16-26-25(6)27(31)23(4)24(5)28(26)32-29/h11,14-15,30-31H,8-10,12-13,16-19H2,1-7H3/b20-11+,21-15-,22-14-/t29-/m1/s1",OQCXIVSCFNNFEE,QFLITSPGSA,N,13'-Hydroxy-alpha-tocotrienol,OQCXIVSCFNNFEE-QFLITSPGSA-N
HMDB12561,432.360345402,C28H48O3,CC(CO)CCC[C@H](C)CCC[C@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C28H48O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h18,20-22,29-30H,7-17,19H2,1-6H3/t20-,21+,22?,28-/m1/s1",QNBPVJMQPAQXML,SLGTZZLGSA,N,13'-Hydroxy-gamma-tocopherol,QNBPVJMQPAQXML-SLGTZZLGSA-N
HMDB12562,426.31339521,C28H42O3,C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CC[C@@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C28H42O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h10,13-14,18,29-30H,7-9,11-12,15-17,19H2,1-6H3/b20-10+,21-14+,22-13+/t28-/m0/s1",BUWYMGRHXZROTQ,XYSSNJNPSA,N,13'-Hydroxy-gamma-tocotrienol,BUWYMGRHXZROTQ-XYSSNJNPSA-N
HMDB12563,354.240624198,C20H34O5,CCCCC[C@@H](O)CC\C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,17-19,21-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t17-,18-,19-/m1/s1",WRFBDEURXXFJRY,WYMHFOEZSA,N,"13,14-Dihydro- lipoxin A4",WRFBDEURXXFJRY-WYMHFOEZSA-N
HMDB12564,352.224974134,C20H32O5,CCCCCC(=O)CC\C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t18-,19-/m1/s1",FPRPRBFSKMFXRV,HJGGDGFVSA,N,"13,14-Dihydro-15-oxo-lipoxin A4",FPRPRBFSKMFXRV-HJGGDGFVSA-N
HMDB12567,320.23514489,C20H32O3,CCCCC\C=C/C(O)\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14-",SAKQICHVWOJSNI,BWWNDVLWSA,N,13-HETE,SAKQICHVWOJSNI-BWWNDVLWSA-N
HMDB12575,413.150822913,C19H27NO7S,N[C@H](CS[C@H](\C=C\C=C\C=C/C=C/CC(O)=O)[C@@H](O)CCCC(O)=O)C(O)=O,"InChI=1S/C19H27NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,7-5+,10-6+/t14-,15+,16-/m1/s1",MAFGRSDWXFSHMK,SRKAIYCDSA,N,13E-Tetranor-16-carboxy-LTE4,MAFGRSDWXFSHMK-SRKAIYCDSA-N
HMDB12576,1158.224166464,C40H57N8O22P3S2,O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/C=C/CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C40H61N8O22P3S2/c1-40(2,21-67-73(64,65)70-72(62,63)66-19-26-33(69-71(59,60)61)32(54)38(68-26)48-23-47-31-35(42)45-22-46-36(31)48)34(55)37(56)44-16-15-28(50)43-17-18-74-30(53)14-9-7-5-3-4-6-8-12-27(75-20-24(41)39(57)58)25(49)11-10-13-29(51)52/h3-9,12,22-27,32-34,38,49,54-55H,10-11,13-21,41H2,1-2H3,(H,43,50)(H,44,56)(H,51,52)(H,57,58)(H,62,63)(H,64,65)(H2,42,45,46)(H2,59,60,61)/p-4/b5-3-,6-4+,9-7+,12-8+/t24-,25+,26-,27-,32+,33+,34?,38-/m1/s1",FSCROZZUFXOEMF,AQSNFWIISA,J,13E-Tetranor-16-oxo-16-CoA-LTE4,FSCROZZUFXOEMF-AQSNFWIISA-J
HMDB12580,376.224974134,C22H32O5,CC\C=C/C\C=C/CC(O)\C=C\C1C(O)CC(=O)C1C\C=C/CCC(O)=O,"InChI=1S/C22H32O5/c1-2-3-4-5-6-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-7-10-13-22(26)27/h3-4,6-9,14-15,17-19,21,23,25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-6-,9-7-,15-14+",BCQOUZGZSCCQCM,YOQRWUOZSA,N,14-hydroxy-E4-neuroprostane,BCQOUZGZSCCQCM-YOQRWUOZSA-N
HMDB12587,352.224974134,C20H32O5,CCCCC[C@@H](O)\C=C\C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m1/s1",IXAQOQZEOGMIQS,BZIKWXEGSA,N,15-Epi-lipoxin A4,IXAQOQZEOGMIQS-BZIKWXEGSA-N
HMDB12588,350.20932407,C20H30O5,CC\C=C/C[C@@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@H](O)CCCC(O)=O,"InChI=1S/C20H30O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h3-10,12,15,17-19,21-23H,2,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,8-3-,12-9+,15-10+/t17-,18+,19+/m0/s1",VLLDKSJDBRLUOY,XIFXWWOOSA,N,15-Epi-lipoxin B5,VLLDKSJDBRLUOY-XIFXWWOOSA-N
HMDB12590,350.20932407,C20H30O5,CCCCCC(=O)\C=C\C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(O)=O,"InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,18-19,22-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t18-,19-/m1/s1",KMQGFEBCBYXSPZ,LGJFVLQCSA,N,15-Oxo-lipoxin A4,KMQGFEBCBYXSPZ-LGJFVLQCSA-N
HMDB12593,1204.266031278,C42H63N8O23P3S2,O[C@@H](CCC\C=C/C=C/C=C/[C@@H](SC[C@@H](N)C(O)=O)[C@@H](O)CCCC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C42H67N8O23P3S2/c1-42(2,22-70-76(67,68)73-75(65,66)69-20-28-35(72-74(62,63)64)34(57)40(71-28)50-24-49-33-37(44)47-23-48-38(33)50)36(58)39(59)46-16-15-30(53)45-17-18-77-32(56)19-25(51)11-8-6-4-3-5-7-9-13-29(78-21-26(43)41(60)61)27(52)12-10-14-31(54)55/h3-5,7,9,13,23-29,34-36,40,51-52,57-58H,6,8,10-12,14-22,43H2,1-2H3,(H,45,53)(H,46,59)(H,54,55)(H,60,61)(H,65,66)(H,67,68)(H2,44,47,48)(H2,62,63,64)/p-4/b4-3-,7-5+,13-9+/t25-,26+,27-,28+,29+,34-,35-,36?,40+/m0/s1",APLMMNVXTIRDHJ,RWNJKCKMSA,J,16(S)-hydroxy-18-oxo-18-CoA-LTE4,APLMMNVXTIRDHJ-RWNJKCKMSA-J
HMDB12594,1202.250381214,C42H61N8O23P3S2,O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C42H65N8O23P3S2/c1-42(2,22-70-76(67,68)73-75(65,66)69-20-28-35(72-74(62,63)64)34(57)40(71-28)50-24-49-33-37(44)47-23-48-38(33)50)36(58)39(59)46-16-15-30(53)45-17-18-77-32(56)19-25(51)11-8-6-4-3-5-7-9-13-29(78-21-26(43)41(60)61)27(52)12-10-14-31(54)55/h3-5,7,9,13,23-24,26-29,34-36,40,52,57-58H,6,8,10-12,14-22,43H2,1-2H3,(H,45,53)(H,46,59)(H,54,55)(H,60,61)(H,65,66)(H,67,68)(H2,44,47,48)(H2,62,63,64)/p-4/b4-3-,7-5+,13-9+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1",IPTNGKBINTWILB,MOGVCQQGSA,J,"16,18-Oxo-18-CoA-dinor-LTE4",IPTNGKBINTWILB-MOGVCQQGSA-J
HMDB12597,1186.255466592,C42H61N8O22P3S2,O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C42H65N8O22P3S2/c1-42(2,23-69-75(66,67)72-74(64,65)68-21-28-35(71-73(61,62)63)34(56)40(70-28)50-25-49-33-37(44)47-24-48-38(33)50)36(57)39(58)46-18-17-30(52)45-19-20-76-32(55)16-11-9-7-5-3-4-6-8-10-14-29(77-22-26(43)41(59)60)27(51)13-12-15-31(53)54/h3-4,6,8,10-11,14,16,24-29,34-36,40,51,56-57H,5,7,9,12-13,15,17-23,43H2,1-2H3,(H,45,52)(H,46,58)(H,53,54)(H,59,60)(H,64,65)(H,66,67)(H2,44,47,48)(H2,61,62,63)/p-4/b4-3-,8-6+,14-10+,16-11+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1",UNMYUSONOSUPAJ,WCKJHTGZSA,J,16E-18-Oxo-18-CoA-dinor-LTE4,UNMYUSONOSUPAJ-WCKJHTGZSA-J
HMDB12598,320.23514489,C20H32O3,CCCC(O)C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-16-19(21)17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20(22)23/h3,5-6,8-9,11-12,14,19,21H,2,4,7,10,13,15-18H2,1H3,(H,22,23)/b5-3-,8-6-,11-9-,14-12-",OPPIPPRXLIDJKN,JPURVOHMSA,N,17-HETE,OPPIPPRXLIDJKN-JPURVOHMSA-N
HMDB12601,376.224974134,C22H32O5,CC\C=C/CC(O)\C=C\C1C(O)CC(=O)C1C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-19,21,23,25H,2,4,10-13,16H2,1H3,(H,26,27)/b7-5-,8-3-,9-6-,15-14+",ULILMUUUHYDFOW,HOGCIABESA,N,17-hydroxy-E4-neuroprostane,ULILMUUUHYDFOW-HOGCIABESA-N
HMDB12605,1230.281681342,C44H65N8O23P3S2,O[C@H](CC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@@H](N)C(O)=O)[C@@H](O)CCCC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C44H69N8O23P3S2/c1-44(2,24-72-78(69,70)75-77(67,68)71-22-30-37(74-76(64,65)66)36(59)42(73-30)52-26-51-35-39(46)49-25-50-40(35)52)38(60)41(61)48-18-17-32(55)47-19-20-79-34(58)21-27(53)13-10-8-6-4-3-5-7-9-11-15-31(80-23-28(45)43(62)63)29(54)14-12-16-33(56)57/h3,5-9,11,15,25-31,36-38,42,53-54,59-60H,4,10,12-14,16-24,45H2,1-2H3,(H,47,55)(H,48,61)(H,56,57)(H,62,63)(H,67,68)(H,69,70)(H2,46,49,50)(H2,64,65,66)/p-4/b5-3-,8-6-,9-7+,15-11+/t27-,28-,29+,30-,31-,36+,37+,38?,42-/m1/s1",LTGUFAUPEHDXRQ,ZWUKEZMXSA,J,18(R)-Hydroxy-20-oxo-20-CoA-LTE4,LTGUFAUPEHDXRQ-ZWUKEZMXSA-J
HMDB12606,1125.256846801,C41H58N7O22P3S,O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C41H62N7O22P3S/c1-41(2,23-67-73(64,65)70-72(62,63)66-22-29-35(69-71(59,60)61)34(56)40(68-29)48-25-47-33-37(42)45-24-46-38(33)48)36(57)39(58)44-18-17-30(52)43-19-20-74-32(55)21-28(51)14-9-5-8-13-26(49)11-6-3-4-7-12-27(50)15-10-16-31(53)54/h3-8,11-12,24-27,29,34-36,40,49-50,56-57H,9-10,13-23H2,1-2H3,(H,43,52)(H,44,58)(H,53,54)(H,62,63)(H,64,65)(H2,42,45,46)(H2,59,60,61)/p-4/b4-3+,8-5-,11-6+,12-7-/t26-,27+,29-,34+,35+,36?,40-/m1/s1",MWWKFDDOIUOYAX,IFCZKFNASA,J,"18,20-Dioxo-20-CoA-leukotriene B4",MWWKFDDOIUOYAX-IFCZKFNASA-J
HMDB12607,441.182123041,C21H31NO7S,N[C@H](CS[C@H](\C=C\C=C\C=C/C\C=C/CCC(O)=O)[C@@H](O)CCCC(O)=O)C(O)=O,"InChI=1S/C21H31NO7S/c22-16(21(28)29)15-30-18(17(23)11-10-14-20(26)27)12-8-6-4-2-1-3-5-7-9-13-19(24)25/h1-2,4-8,12,16-18,23H,3,9-11,13-15,22H2,(H,24,25)(H,26,27)(H,28,29)/b2-1-,6-4+,7-5-,12-8+/t16-,17+,18-/m1/s1",OXCSBZDIZXLXRX,CBAWHTJISA,N,18-Carboxy-dinor-LTE4,OXCSBZDIZXLXRX-CBAWHTJISA-N
HMDB12608,1083.246282115,C39H56N7O21P3S,O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H60N7O21P3S/c1-39(2,22-64-70(61,62)67-69(59,60)63-21-27-33(66-68(56,57)58)32(53)38(65-27)46-24-45-31-35(40)43-23-44-36(31)46)34(54)37(55)42-18-17-28(49)41-19-20-71-30(52)16-9-5-8-13-25(47)11-6-3-4-7-12-26(48)14-10-15-29(50)51/h3-8,11-12,23-27,32-34,38,47-48,53-54H,9-10,13-22H2,1-2H3,(H,41,49)(H,42,55)(H,50,51)(H,59,60)(H,61,62)(H2,40,43,44)(H2,56,57,58)/p-4/b4-3+,8-5-,11-6+,12-7-/t25-,26+,27-,32+,33+,34?,38-/m1/s1",CQLBXHGTJMWNLT,YKCOLWQXSA,J,18-CoA-18-oxo-dinorleukotriene B4,CQLBXHGTJMWNLT-YKCOLWQXSA-J
HMDB12609,1109.261932179,C41H58N7O21P3S,O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C41H62N7O21P3S/c1-41(2,24-66-72(63,64)69-71(61,62)65-23-29-35(68-70(58,59)60)34(55)40(67-29)48-26-47-33-37(42)45-25-46-38(33)48)36(56)39(57)44-20-19-30(51)43-21-22-73-32(54)18-11-5-3-4-8-13-27(49)14-9-6-7-10-15-28(50)16-12-17-31(52)53/h4,6-11,14-15,18,25-29,34-36,40,49-50,55-56H,3,5,12-13,16-17,19-24H2,1-2H3,(H,43,51)(H,44,57)(H,52,53)(H,61,62)(H,63,64)(H2,42,45,46)(H2,58,59,60)/p-4/b7-6+,8-4-,14-9+,15-10-,18-11+/t27-,28-,29+,34-,35-,36?,40+/m0/s1",PBPMTFAECBJRFW,KBPAAJSHSA,J,18E-20-oxo-20-CoA-LTB4,PBPMTFAECBJRFW-KBPAAJSHSA-J
HMDB12610,1212.271116656,C44H63N8O22P3S2,O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/C\C=C/CC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C44H67N8O22P3S2/c1-44(2,25-71-77(68,69)74-76(66,67)70-23-30-37(73-75(63,64)65)36(58)42(72-30)52-27-51-35-39(46)49-26-50-40(35)52)38(59)41(60)48-20-19-32(54)47-21-22-78-34(57)18-13-11-9-7-5-3-4-6-8-10-12-16-31(79-24-28(45)43(61)62)29(53)15-14-17-33(55)56/h4-8,10,12-13,16,18,26-31,36-38,42,53,58-59H,3,9,11,14-15,17,19-25,45H2,1-2H3,(H,47,54)(H,48,60)(H,55,56)(H,61,62)(H,66,67)(H,68,69)(H2,46,49,50)(H2,63,64,65)/p-4/b6-4-,7-5-,10-8+,16-12+,18-13+/t28-,29+,30-,31-,36+,37+,38?,42-/m1/s1",KBFUWUDFICVJDA,KIHQUBHDSA,J,18E-20-Oxo-20-CoA-LTE4,KBFUWUDFICVJDA-KIHQUBHDSA-J
HMDB12611,318.219494826,C20H30O3,CC[C@H](O)\C=C\C=C/C\C=C\C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5+,12-10-,13-11-,17-15+/t19-/m0/s1",LRWYBGFSVUBWMO,NQZHIPPKSA,N,18R-HEPE,LRWYBGFSVUBWMO-NQZHIPPKSA-N
HMDB12612,346.214409448,C21H30O4,C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(=O)CO,"InChI=1S/C21H30O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,15-18,22-23H,2-9,11-12H2,1H3/t15?,16?,17?,18-,20+,21-/m1/s1",LFISWQXWWGJHBL,RJPFGDFGSA,N,19-Hydroxydeoxycorticosterone,LFISWQXWWGJHBL-RJPFGDFGSA-N
HMDB12613,360.193674006,C21H28O5,C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)=O)C1CC[C@@H]2C(=O)CO,"InChI=1S/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14?,15?,16?,17-,20+,21-/m1/s1",RUPOMAOZPOVHQZ,TTYNRZOGSA,N,19-Oic-deoxycorticosterone,RUPOMAOZPOVHQZ-TTYNRZOGSA-N
HMDB12614,344.198759384,C21H28O4,C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=O)C1CC[C@@H]2C(=O)CO,"InChI=1S/C21H28O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,12,15-18,22H,2-9,11H2,1H3/t15?,16?,17?,18-,20+,21-/m1/s1",PDNIPWXQYQYCSU,RJPFGDFGSA,N,19-Oxo-deoxycorticosterone,PDNIPWXQYQYCSU-RJPFGDFGSA-N
HMDB12622,365.105884094,C18H21O6S,C[C@]12CCC3C(CCC4=C3C=C(O)C(OS([O-])(=O)=O)=C4)C1CCC2=O,"InChI=1S/C18H22O6S/c1-18-7-6-11-12(14(18)4-5-17(18)20)3-2-10-8-16(24-25(21,22)23)15(19)9-13(10)11/h8-9,11-12,14,19H,2-7H2,1H3,(H,21,22,23)/p-1/t11?,12?,14?,18-/m0/s1",DTMWSKSAMRZGQH,PEDDLLMLSA,M,2-Hydroxyestrone sulfate,DTMWSKSAMRZGQH-PEDDLLMLSA-M
HMDB12623,591.225050487,C28H37N3O9S,C[C@]12CCC3C(CCC4=C3C(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)=C(O)C(O)=C4)C1CCC2=O,"InChI=1S/C28H37N3O9S/c1-28-9-8-15-14(16(28)4-6-20(28)33)3-2-13-10-19(32)24(37)25(23(13)15)41-12-18(26(38)30-11-22(35)36)31-21(34)7-5-17(29)27(39)40/h10,14-18,32,37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,34)(H,35,36)(H,39,40)/t14?,15?,16?,17-,18-,28+/m1/s1",DGWRLJJHHOOYBF,DVFAMAHMSA,N,2-Hydroxyestrone-1-S-glutathione,DGWRLJJHHOOYBF-DVFAMAHMSA-N
HMDB12624,591.225050487,C28H37N3O9S,C[C@]12CCC3C(CCC4=C3C=C(O)C(O)=C4SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C1CCC2=O,"InChI=1S/C28H37N3O9S/c1-28-9-8-13-14(17(28)4-6-21(28)33)2-3-15-16(13)10-20(32)24(37)25(15)41-12-19(26(38)30-11-23(35)36)31-22(34)7-5-18(29)27(39)40/h10,13-14,17-19,32,37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,34)(H,35,36)(H,39,40)/t13?,14?,17?,18-,19-,28+/m1/s1",ZKSQMGPMDHYFMB,GEAYSQNSSA,N,2-Hydroxyestrone-4-S-glutathione,ZKSQMGPMDHYFMB-GEAYSQNSSA-N
HMDB12631,1127.272496865,C41H60N7O22P3S,O[C@@H](CC\C=C/C[C@H](O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C41H64N7O22P3S/c1-41(2,23-67-73(64,65)70-72(62,63)66-22-29-35(69-71(59,60)61)34(56)40(68-29)48-25-47-33-37(42)45-24-46-38(33)48)36(57)39(58)44-18-17-30(52)43-19-20-74-32(55)21-28(51)14-9-5-8-13-26(49)11-6-3-4-7-12-27(50)15-10-16-31(53)54/h3-8,11-12,24-29,34-36,40,49-51,56-57H,9-10,13-23H2,1-2H3,(H,43,52)(H,44,58)(H,53,54)(H,62,63)(H,64,65)(H2,42,45,46)(H2,59,60,61)/p-4/b4-3+,8-5-,11-6+,12-7-/t26-,27+,28+,29-,34+,35+,36?,40-/m1/s1",JFQGNCZAHDITHX,FDOKEUHYSA,J,20-CoA-20-oxo-18R-hydroxyleucotriene B4,JFQGNCZAHDITHX-FDOKEUHYSA-J
HMDB12632,1111.277582243,C41H60N7O21P3S,O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C41H64N7O21P3S/c1-41(2,24-66-72(63,64)69-71(61,62)65-23-29-35(68-70(58,59)60)34(55)40(67-29)48-26-47-33-37(42)45-25-46-38(33)48)36(56)39(57)44-20-19-30(51)43-21-22-73-32(54)18-11-5-3-4-8-13-27(49)14-9-6-7-10-15-28(50)16-12-17-31(52)53/h4,6-10,14-15,25-29,34-36,40,49-50,55-56H,3,5,11-13,16-24H2,1-2H3,(H,43,51)(H,44,57)(H,52,53)(H,61,62)(H,63,64)(H2,42,45,46)(H2,58,59,60)/p-4/b7-6+,8-4-,14-9+,15-10-/t27-,28-,29+,34-,35-,36?,40+/m0/s1",WLWKYZHFLKRKEU,WCOJVGLOSA,J,20-CoA-20-oxo-leukotriene B4,WLWKYZHFLKRKEU-WCOJVGLOSA-J
HMDB12633,368.219888756,C20H32O6,O[C@H](CC\C=C\C=C/[C@H](O)CCCC(O)=O)C\C=C/CCCCC(O)=O,"InChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,17-18,21-22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t17-,18-/m0/s1",BCZGHMCTSJAJRR,NSBXBVANSA,N,"20-COOH-10,11-dihydro-LTB4",BCZGHMCTSJAJRR-NSBXBVANSA-N
HMDB12634,469.213423169,C23H35NO7S,N[C@H](CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCC(O)=O)[C@@H](O)CCCC(O)=O)C(O)=O,"InChI=1S/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/b4-2-,5-3-,8-6+,14-10+/t18-,19+,20-/m1/s1",HVLRBLGTGJGVCX,RHSCJZQUSA,N,20-COOH-leukotriene E4,HVLRBLGTGJGVCX-RHSCJZQUSA-N
HMDB12635,368.219888756,C20H32O6,OC(O)CCCC\C=C/C[C@H](O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O,"InChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-19,21-24H,1,3,9-11,14-16H2,(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m0/s1",ZZSBUQYGAPWEOJ,RMQNAGPKSA,N,20-dihydroxyleukotriene B4,ZZSBUQYGAPWEOJ-RMQNAGPKSA-N
HMDB12638,376.224974134,C22H32O5,CCC(O)\C=C\C1C(O)CC(=O)C1C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+",BIHPRUQXOKWQGU,KBUBQVDUSA,N,20-hydroxy-E4-neuroprostane,BIHPRUQXOKWQGU-KBUBQVDUSA-N
HMDB12639,455.234158611,C23H37NO6S,NC(CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCCO)[C@@H](O)CCCC(O)=O)C(O)=O,"InChI=1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19?,20-,21+/m0/s1",BJRMBXPQAMDCMG,QHZDNRHLSA,N,20-Hydroxy-leukotriene E4,BJRMBXPQAMDCMG-QHZDNRHLSA-N
HMDB12641,350.20932407,C20H30O5,O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC=O,"InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1",LVLQYGYNBVIONY,PSPARDEHSA,N,20-oxo-leukotriene B4,LVLQYGYNBVIONY-PSPARDEHSA-N
HMDB12642,453.218508547,C23H35NO6S,N[C@H](CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCC=O)[C@@H](O)CCCC(O)=O)C(O)=O,"InChI=1S/C23H35NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,17,19-21,26H,1,6,8,10,12-14,16,18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20+,21-/m1/s1",DXFWBOQUFGDWDP,HEZGWBLQSA,N,20-Oxo-leukotriene E4,DXFWBOQUFGDWDP-HEZGWBLQSA-N
HMDB12643,384.214803378,C20H32O7,O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCCCC(O)(O)O,"InChI=1S/C20H32O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,17-18,21-22,25-27H,1,5,9-11,14-16H2,(H,23,24)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m0/s1",UZWWTCBNUQJEPB,WLMOLUCVSA,N,20-Trihydroxy-leukotriene-B4,UZWWTCBNUQJEPB-WLMOLUCVSA-N
HMDB12654,304.203844762,C19H28O3,C[C@]12CCC3C(CCC4=CC(=O)[C@@H](O)C[C@]34C)C1CC[C@@H]2O,"InChI=1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12?,13?,14?,16-,17-,18-,19-/m0/s1",ZOIPFFUVGMVQGE,MYLKINFHSA,N,2beta-Hydroxytestosterone,ZOIPFFUVGMVQGE-MYLKINFHSA-N
HMDB12674,959.230238121,C33H52N7O18P3S,CCCCCC\C=C/C[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h9-10,19-22,26-28,32,41,44-45H,4-8,11-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b10-9-/t21-,22+,26-,27-,28?,32+/m0/s1",AYORDFMYYBNSBO,JPJFQEQPSA,J,3(S)-3-hydroxydodecen-(5Z)-oyl-CoA,AYORDFMYYBNSBO-JPJFQEQPSA-J
HMDB12710,190.047738052,C7H10O6,O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C(O)=O,"InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1",WVMWZWGZRAXUBK,SYTVJDICSA,N,3-Dehydroquinate,WVMWZWGZRAXUBK-SYTVJDICSA-N
HMDB12715,1045.339788569,C39H66N7O18P3S,CCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t27-,28-,32+,33+,34?,38-/m1/s1",WZMAIEGYXCOYSH,AJEXUEQGSA,J,3-hydroxyoctadecanoyl-CoA,WZMAIEGYXCOYSH-AJEXUEQGSA-J
HMDB12777,376.224974134,C22H32O5,CC\C=C/C\C=C/C\C=C/CC1C(\C=C\C(O)CCC(O)=O)C(O)CC1=O,"InChI=1S/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-19,21,23,25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+",IDXBOXWUWDDSSX,GSPMAKDWSA,N,4-hydroxy-D4-neuroprostane,IDXBOXWUWDDSSX-GSPMAKDWSA-N
HMDB12779,366.113709126,C18H22O6S,C[C@@]12CCC3C(CCC4=C3C=CC(OS(O)(=O)=O)=C4O)C1CCC2=O,"InChI=1S/C18H22O6S/c1-18-9-8-11-10-4-6-15(24-25(21,22)23)17(20)13(10)3-2-12(11)14(18)5-7-16(18)19/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3,(H,21,22,23)/t11?,12?,14?,18-/m1/s1",QIJNCQNMZUTUIF,KQWCVQSUSA,N,4-Hydroxyestrone sulfate,QIJNCQNMZUTUIF-KQWCVQSUSA-N
HMDB12780,591.225050487,C28H37N3O9S,C[C@]12CCC3C(CCC4=C3C=C(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C(O)=C4O)C1CCC2=O,"InChI=1S/C28H37N3O9S/c1-28-9-8-13-14(17(28)4-6-21(28)32)2-3-15-16(13)10-20(25(37)24(15)36)41-12-19(26(38)30-11-23(34)35)31-22(33)7-5-18(29)27(39)40/h10,13-14,17-19,36-37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,33)(H,34,35)(H,39,40)/t13?,14?,17?,18-,19-,28+/m1/s1",UKCFCQKNUGHMIT,GEAYSQNSSA,N,4-Hydroxyestrone-2-S-glutathione,UKCFCQKNUGHMIT-GEAYSQNSSA-N
HMDB12782,302.188194698,C19H26O3,COC1=C2CCC3C4CC[C@H](O)[C@@]4(C)CCC3C2=CC=C1O,"InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12?,13?,15?,17-,19-/m0/s1",BCWZIZLVBYHFES,BHFCKAAKSA,N,4-Methoxy-17beta-estradiol,BCWZIZLVBYHFES-BHFCKAAKSA-N
HMDB12788,300.20893014,C20H28O2,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCC(O)C1(C)C)=C/C=O,"InChI=1S/C20H28O2/c1-15(7-6-8-16(2)13-14-21)9-11-18-17(3)10-12-19(22)20(18,4)5/h6-9,11,13-14,19,22H,10,12H2,1-5H3/b8-6+,11-9+,15-7+,16-13+",NCIHLRCJOBKKAL,ZBSJWCJSSA,N,4-OH-Retinal,NCIHLRCJOBKKAL-ZBSJWCJSSA-N
HMDB12789,314.188194698,C20H26O3,C\C(\C=C\C1=C(C)CCC(=O)C1(C)C)=C/C=C/C(/C)=C\C(O)=O,"InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-11-17-16(3)10-12-18(21)20(17,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,22,23)/b8-6+,11-9+,14-7+,15-13-",YOFBBAJVETYSCH,IWRFDTMXSA,N,4-Oxo-13-cis-retinoate,YOFBBAJVETYSCH-IWRFDTMXSA-N
HMDB12794,298.193280076,C20H26O2,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCC(=O)C1(C)C)=C/C=O,"InChI=1S/C20H26O2/c1-15(7-6-8-16(2)13-14-21)9-11-18-17(3)10-12-19(22)20(18,4)5/h6-9,11,13-14H,10,12H2,1-5H3/b8-6+,11-9+,15-7+,16-13+",ZORDCCAUKPDLPN,ZBSJWCJSSA,N,4-Oxoretinal,ZORDCCAUKPDLPN-ZBSJWCJSSA-N
HMDB12798,320.198759384,C19H28O4,CC(CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C)C(O)=O,"InChI=1S/C19H28O4/c1-11(18(21)22)7-6-9-19(5)10-8-15-14(4)16(20)12(2)13(3)17(15)23-19/h11,20H,6-10H2,1-5H3,(H,21,22)/t11?,19-/m1/s1",QWPNLVBAEZJBMI,IMFVZPHKSA,N,5'-Carboxy-alpha-chromanol,QWPNLVBAEZJBMI-IMFVZPHKSA-N
HMDB12799,306.18310932,C18H26O4,C[C@H](CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2)C(O)=O,"InChI=1S/C18H26O4/c1-11(17(20)21)6-5-8-18(4)9-7-14-10-15(19)12(2)13(3)16(14)22-18/h10-11,19H,5-9H2,1-4H3,(H,20,21)/t11-,18-/m1/s1",CNGKBUHOCIWLHJ,ADLMAVQZSA,N,5'-Carboxy-gamma-chromanol,CNGKBUHOCIWLHJ-ADLMAVQZSA-N
HMDB12815,101.084063979,C5H11NO,NCCCCC=O,"InChI=1S/C5H11NO/c6-4-2-1-3-5-7/h5H,1-4,6H2",SZBGXBOFCGNPEU,UHFFFAOYSA,N,5-Aminopentanal,SZBGXBOFCGNPEU-UHFFFAOYSA-N
HMDB12819,224.079706882,C10H12N2O4,NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O,"InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)",OTDQYOVYQQZAJL,UHFFFAOYSA,N,5-Hydroxykynurenine,OTDQYOVYQQZAJL-UHFFFAOYSA-N
HMDB12824,334.214409448,C20H30O4,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C\C(=O)CCCC(O)=O,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-/m1/s1",MLZJFLKEKVDNAZ,BEWISGCMSA,N,5-Oxo-6-trans-leukotriene B4,MLZJFLKEKVDNAZ-BEWISGCMSA-N
HMDB12838,338.245709576,C20H34O4,CCCCC\C=C/C[C@@H](O)\C=C\C=C\CC[C@H](O)CCCC(O)=O,"InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18-19,21-22H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-,19+/m1/s1",ZMZNVSWCIRFLBV,GRXSAWGRSA,N,"6,7-dihydro-12-epi-LTB4",ZMZNVSWCIRFLBV-GRXSAWGRSA-N
HMDB12839,336.230059512,C20H32O4,CCCCC\C=C/C[C@@H](O)\C=C\C=C\CCC(=O)CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18,21H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-/m1/s1",RUTQOBJLGHUCJC,ATHKOCGESA,N,"6,7-dihydro-5-oxo-12-epi-LTB4",RUTQOBJLGHUCJC-ATHKOCGESA-N
HMDB12843,132.07864425,C6H12O3,OCCCCCC(O)=O,"InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)",IWHLYPDWHHPVAA,UHFFFAOYSA,N,6-Hydroxyhexanoic acid,IWHLYPDWHHPVAA-UHFFFAOYSA-N
HMDB12848,348.230059512,C21H32O4,CC(CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C)CCC(O)=O,"InChI=1S/C21H32O4/c1-13(8-9-18(22)23)7-6-11-21(5)12-10-17-16(4)19(24)14(2)15(3)20(17)25-21/h13,24H,6-12H2,1-5H3,(H,22,23)/t13?,21-/m1/s1",RXYXCDMLSTZSRY,QUXALOBESA,N,7'-Carboxy-alpha-chromanol,RXYXCDMLSTZSRY-QUXALOBESA-N
HMDB12849,346.214409448,C21H30O4,C\C(CCC(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C21H30O4/c1-13(8-9-18(22)23)7-6-11-21(5)12-10-17-16(4)19(24)14(2)15(3)20(17)25-21/h7,24H,6,8-12H2,1-5H3,(H,22,23)/b13-7+/t21-/m1/s1",UZOSSXSASNQFOI,FAKWYAOSSA,N,7'-Carboxy-alpha-tocotrienol,UZOSSXSASNQFOI-FAKWYAOSSA-N
HMDB12850,334.214409448,C20H30O4,C[C@H](CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2)CCC(O)=O,"InChI=1S/C20H30O4/c1-13(7-8-18(22)23)6-5-10-20(4)11-9-16-12-17(21)14(2)15(3)19(16)24-20/h12-13,21H,5-11H2,1-4H3,(H,22,23)/t13-,20-/m1/s1",JFXDIXKMINYLIK,ZUOKHONESA,N,7'-Carboxy-gamma-chromanol,JFXDIXKMINYLIK-ZUOKHONESA-N
HMDB12851,332.198759384,C20H28O4,C\C(CCC(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C20H28O4/c1-13(7-8-18(22)23)6-5-10-20(4)11-9-16-12-17(21)14(2)15(3)19(16)24-20/h6,12,21H,5,7-11H2,1-4H3,(H,22,23)/b13-6+/t20-/m1/s1",NECINJBBPZOJSN,QARGNGGGSA,N,7'-Carboxy-gamma-tocotrienol,NECINJBBPZOJSN-QARGNGGGSA-N
HMDB12855,376.224974134,C22H32O5,CC\C=C/C\C=C/CC1C(\C=C\C(O)C\C=C/CCC(O)=O)C(O)CC1=O,"InChI=1S/C22H32O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-19,21,23,25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6-,15-14+",MBWYKQQOOVDDJT,UGCWMZKCSA,N,7-hydroxy-D4-neuroprostane,MBWYKQQOOVDDJT-UGCWMZKCSA-N
HMDB12866,390.277009704,C24H38O4,C[C@@H](CCCC(C)C(O)=O)CCC[C@@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C24H38O4/c1-15(9-7-11-16(2)23(26)27)10-8-13-24(6)14-12-20-19(5)21(25)17(3)18(4)22(20)28-24/h15-16,25H,7-14H2,1-6H3,(H,26,27)/t15-,16?,24-/m0/s1",CUGVBZDXUTZXJO,GCIQOJCMSA,N,9'-Carboxy-alpha-chromanol,CUGVBZDXUTZXJO-GCIQOJCMSA-N
HMDB12867,386.245709576,C24H34O4,C\C(CC\C=C(/C)C(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C24H34O4/c1-15(9-7-11-16(2)23(26)27)10-8-13-24(6)14-12-20-19(5)21(25)17(3)18(4)22(20)28-24/h10-11,25H,7-9,12-14H2,1-6H3,(H,26,27)/b15-10+,16-11+/t24-/m1/s1",MEZYOZBFEXYIKB,ASKDMKCJSA,N,9'-Carboxy-alpha-tocotrienol,MEZYOZBFEXYIKB-ASKDMKCJSA-N
HMDB12868,376.26135964,C23H36O4,C[C@@H](CCC[C@@H](C)C(O)=O)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C23H36O4/c1-15(8-6-10-16(2)22(25)26)9-7-12-23(5)13-11-19-14-20(24)17(3)18(4)21(19)27-23/h14-16,24H,6-13H2,1-5H3,(H,25,26)/t15-,16+,23+/m0/s1",ODQOKHVJIYTOQE,NXHTTZLHSA,N,9'-Carboxy-gamma-chromanol,ODQOKHVJIYTOQE-NXHTTZLHSA-N
HMDB12869,372.230059512,C23H32O4,C\C(CC\C=C(/C)C(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C23H32O4/c1-15(8-6-10-16(2)22(25)26)9-7-12-23(5)13-11-19-14-20(24)17(3)18(4)21(19)27-23/h9-10,14,24H,6-8,11-13H2,1-5H3,(H,25,26)/b15-9+,16-10+/t23-/m1/s1",QSRURDPJEKTSFH,ODPFLYRHSA,N,9'-Carboxy-gamma-tocotrienol,QSRURDPJEKTSFH-ODPFLYRHSA-N
HMDB12874,300.20893014,C20H28O2,C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C/C(O)=O,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14-",SHGAZHPCJJPHSC,CDMOMSTLSA,N,"9,13-cis-Retinoate",SHGAZHPCJJPHSC-CDMOMSTLSA-N
HMDB12880,115.063328537,C5H9NO2,CC(=O)NCCC=O,"InChI=1S/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8)",ARJPPNFIEQKVBB,UHFFFAOYSA,N,Acetamidopropanal,ARJPPNFIEQKVBB-UHFFFAOYSA-N
HMDB12881,268.11715502,C11H16N4O4,CC(=O)NCCC(=O)N[C@H](CC1=CN=CN1)C(O)=O,"InChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m1/s1",BKAYIFDRRZZKNF,SECBINFHSA,N,Acetylcarnosine,BKAYIFDRRZZKNF-SECBINFHSA-N
HMDB12882,130.062994186,C6H10O3,OC(=O)CCCCC=O,"InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9)",PNPPVRALIYXJBW,UHFFFAOYSA,N,Adipate semialdehyde,PNPPVRALIYXJBW-UHFFFAOYSA-N
HMDB12883,180.066068191,C9H10NO3,CN1CC(O)C2=C1C=C(O)C([O])=C2,"InChI=1S/C9H10NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,12-13H,4H2,1H3",YNKQTALYBHMWCC,UHFFFAOYSA,N,Adrenochrome o-semiquinone,YNKQTALYBHMWCC-UHFFFAOYSA-N
HMDB12884,179.058243159,C9H9NO3,CN1CC(O)C2=CC(=O)C(=O)C=C12,"InChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3",RPHLQSHHTJORHI,UHFFFAOYSA,N,Adrenochrome,RPHLQSHHTJORHI-UHFFFAOYSA-N
HMDB12894,1549.829985309,C69H111N23O16S,CSCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43+,44-,45-,46+,47-,48-,49+,50-,51+,52+,53-/m0/s1",XXCCRHIAIBQDPX,YHQCEEEXSA,N,Apelin-13,XXCCRHIAIBQDPX-YHQCEEEXSA-N
HMDB12895,1027.400405861,C44H61N13O12S2,NC1CSSC[C@H](NC(=O)C(CC(O)=N)NC(=O)[C@@H](CCC(O)=N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C44H61N13O12S2/c45-26-21-70-71-22-32(42(67)57-17-5-9-33(57)41(66)52-28(43(68)69)8-4-16-50-44(48)49)56-40(65)31(20-35(47)60)55-37(62)27(14-15-34(46)59)51-38(63)30(18-23-6-2-1-3-7-23)54-39(64)29(53-36(26)61)19-24-10-12-25(58)13-11-24/h1-3,6-7,10-13,26-33,58H,4-5,8-9,14-22,45H2,(H2,46,59)(H2,47,60)(H,51,63)(H,52,66)(H,53,61)(H,54,64)(H,55,62)(H,56,65)(H,68,69)(H4,48,49,50)/t26?,27-,28-,29-,30-,31?,32+,33-/m1/s1",SXYIOPJBWYQZRQ,VMPYSSHJSA,N,Arginine vasopressin 1-8,SXYIOPJBWYQZRQ-VMPYSSHJSA-N
HMDB12897,168.068748266,C11H8N2,N1C2=CC=CC=C2C2=C1C=NC=C2,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H",AIFRHYZBTHREPW,UHFFFAOYSA,N,Beta-Carboline,AIFRHYZBTHREPW-UHFFFAOYSA-N
HMDB12911,1186.255466592,C42H61N8O22P3S2,O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/CC\C=C\CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C42H65N8O22P3S2/c1-42(2,23-69-75(66,67)72-74(64,65)68-21-28-35(71-73(61,62)63)34(56)40(70-28)50-25-49-33-37(44)47-24-48-38(33)50)36(57)39(58)46-18-17-30(52)45-19-20-76-32(55)16-11-9-7-5-3-4-6-8-10-14-29(77-22-26(43)41(59)60)27(51)13-12-15-31(53)54/h3-4,6,8-11,14,24-29,34-36,40,51,56-57H,5,7,12-13,15-23,43H2,1-2H3,(H,45,52)(H,46,58)(H,53,54)(H,59,60)(H,64,65)(H,66,67)(H2,44,47,48)(H2,61,62,63)/p-4/b4-3-,8-6+,11-9+,14-10+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1",ANLFIWCXIHNIAL,CAIMCJOESA,J,CoA-18-COOH-15E-dinor-LTE4,ANLFIWCXIHNIAL-CAIMCJOESA-J
HMDB12912,1228.266031278,C44H63N8O23P3S2,O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/C\C=C/CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C44H67N8O23P3S2/c1-44(2,24-72-78(69,70)75-77(67,68)71-22-30-37(74-76(64,65)66)36(59)42(73-30)52-26-51-35-39(46)49-25-50-40(35)52)38(60)41(61)48-18-17-32(55)47-19-20-79-34(58)21-27(53)13-10-8-6-4-3-5-7-9-11-15-31(80-23-28(45)43(62)63)29(54)14-12-16-33(56)57/h3,5-9,11,15,25-26,28-31,36-38,42,54,59-60H,4,10,12-14,16-24,45H2,1-2H3,(H,47,55)(H,48,61)(H,56,57)(H,62,63)(H,67,68)(H,69,70)(H2,46,49,50)(H2,64,65,66)/p-4/b5-3-,8-6-,9-7+,15-11+/t28-,29+,30-,31-,36+,37+,38?,42-/m1/s1",HSPIWFCPBFIZFA,YXOUQQAOSA,J,CoA-20-COOH-18-oxo-LTE4,HSPIWFCPBFIZFA-YXOUQQAOSA-J
HMDB12913,1214.28676672,C44H65N8O22P3S2,O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C\C\C=C\CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C44H69N8O22P3S2/c1-44(2,25-71-77(68,69)74-76(66,67)70-23-30-37(73-75(63,64)65)36(58)42(72-30)52-27-51-35-39(46)49-26-50-40(35)52)38(59)41(60)48-20-19-32(54)47-21-22-78-34(57)18-13-11-9-7-5-3-4-6-8-10-12-16-31(79-24-28(45)43(61)62)29(53)15-14-17-33(55)56/h4-8,10,12,16,26-31,36-38,42,53,58-59H,3,9,11,13-15,17-25,45H2,1-2H3,(H,47,54)(H,48,60)(H,55,56)(H,61,62)(H,66,67)(H,68,69)(H2,46,49,50)(H2,63,64,65)/p-4/b6-4+,7-5+,10-8+,16-12+/t28-,29+,30-,31-,36+,37+,38?,42-/m1/s1",KONKGRIDBYMNKG,VSGWDHNFSA,J,CoA-20-COOH-LTE4,KONKGRIDBYMNKG-VSGWDHNFSA-J
HMDB12914,1186.255466592,C42H61N8O22P3S2,O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/C\C=C/CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C42H65N8O22P3S2/c1-42(2,23-69-75(66,67)72-74(64,65)68-21-28-35(71-73(61,62)63)34(56)40(70-28)50-25-49-33-37(44)47-24-48-38(33)50)36(57)39(58)46-18-17-30(52)45-19-20-76-32(55)16-11-9-7-5-3-4-6-8-10-14-29(77-22-26(43)41(59)60)27(51)13-12-15-31(53)54/h3-4,6-10,14,24-29,34-36,40,51,56-57H,5,11-13,15-23,43H2,1-2H3,(H,45,52)(H,46,58)(H,53,54)(H,59,60)(H,64,65)(H,66,67)(H2,44,47,48)(H2,61,62,63)/p-4/b4-3-,8-6+,9-7-,14-10+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1",QFIFJHIRXMCJMO,GVVKVPPWSA,J,CoA-omega-COOH-dinor-LTE4,QFIFJHIRXMCJMO-GVVKVPPWSA-J
HMDB12915,180.07864425,C10H12O3,COC1=CC(\C=C\CO)=CC=C1O,"InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+",JMFRWRFFLBVWSI,NSCUHMNNSA,N,Coniferyl alcohol,JMFRWRFFLBVWSI-NSCUHMNNSA-N
HMDB12916,91.980624003,CH2NO2S,O[S](O)C#N,InChI=1S/CH2NO2S/c2-1-5(3)4/h3-4H,QYFNKYSGTDITHU,UHFFFAOYSA,N,Cyanosulfurous acid anion,QYFNKYSGTDITHU-UHFFFAOYSA-N
HMDB12925,143.142247559,C7H17N3,NCCC\C=N\CCCN,"InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+",YAVLYBVKPXLZEQ,UXBLZVDNSA,N,Dehydrospermidine,YAVLYBVKPXLZEQ-UXBLZVDNSA-N
HMDB12930,1085.407474203,C43H74N7O17P3S,CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C43H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/t32-,36+,37+,38?,42-/m1/s1",NDDZLVOCGALPLR,JEAMVCTESA,J,Docosanoyl-CoA,NDDZLVOCGALPLR-JEAMVCTESA-J
HMDB12931,194.045332749,C9H8NO4,[O]C1=C(O)C=C2N[C@H](CC2=C1)C(O)=O,"InChI=1S/C9H8NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10,12H,1H2,(H,13,14)/t6-/m1/s1",YHAPBGUGQAHLME,ZCFIWIBFSA,N,Dopachrome o-semiquinone,YHAPBGUGQAHLME-ZCFIWIBFSA-N
HMDB12932,443.296850717,C18H37N9O4,CC[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(O)=O,"InChI=1S/C18H37N9O4/c1-3-10(2)13(16(30)31)27-15(29)12(7-5-9-25-18(22)23)26-14(28)11(19)6-4-8-24-17(20)21/h10-13H,3-9,19H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H4,20,21,24)(H4,22,23,25)/t10-,11-,12+,13-/m1/s1",BHSYMWWMVRPCPA,FVCCEPFGSA,N,Dynorphin A (6-8),BHSYMWWMVRPCPA-FVCCEPFGSA-N
HMDB12933,980.555584594,C46H72N14O10,CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32+,33+,34?,35+,38-/m0/s1",WRPLGMBDXVBPEG,PUGOIMMUSA,N,Dynorphin A 1-8,WRPLGMBDXVBPEG-PUGOIMMUSA-N
HMDB12934,1183.646190513,C53H85N17O14,CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=N)C(=O)N[C@@H](CCC(O)=N)C(O)=O,"InChI=1S/C53H85N17O14/c1-28(2)23-36(66-45(76)34(15-6-8-20-55)64-50(81)40-16-10-22-70(40)51(82)31(56)12-9-21-61-53(59)60)46(77)63-33(14-5-7-19-54)44(75)67-37(24-29-27-62-32-13-4-3-11-30(29)32)47(78)69-39(26-43(73)74)49(80)68-38(25-42(58)72)48(79)65-35(52(83)84)17-18-41(57)71/h3-4,11,13,27-28,31,33-40,62H,5-10,12,14-26,54-56H2,1-2H3,(H2,57,71)(H2,58,72)(H,63,77)(H,64,81)(H,65,79)(H,66,76)(H,67,75)(H,68,80)(H,69,78)(H,73,74)(H,83,84)(H4,59,60,61)/t31-,33-,34+,35-,36+,37-,38+,39+,40-/m0/s1",RBCKMCPFHXXHJN,CELVLHDCSA,N,Dynorphin A 9-17,RBCKMCPFHXXHJN-CELVLHDCSA-N
HMDB12935,1474.912295913,C69H116N23O13,CCC(C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCNC([NH3+])=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O,"InChI=1S/C69H115N23O13/c1-7-41(6)56(65(104)88-49(22-15-31-81-69(77)78)66(105)92-32-16-23-53(92)64(103)87-46(19-11-12-28-70)60(99)89-50(57(72)96)33-39(2)3)91-61(100)48(21-14-30-80-68(75)76)85-59(98)47(20-13-29-79-67(73)74)86-62(101)51(34-40(4)5)90-63(102)52(36-42-17-9-8-10-18-42)84-55(95)38-82-54(94)37-83-58(97)45(71)35-43-24-26-44(93)27-25-43/h8-10,17-18,24-27,39-41,45-53,56,93H,7,11-16,19-23,28-38,70-71H2,1-6H3,(H2,72,96)(H,82,94)(H,83,97)(H,84,95)(H,85,98)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,90,102)(H,91,100)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/p+1/t41?,45-,46+,47-,48-,49-,50+,51-,52-,53+,56+/m1/s1",ZIHYAUCIMOSJIH,QGLXRRFISA,O,Dynorphin A,ZIHYAUCIMOSJIH-QGLXRRFISA-O
HMDB12936,445.290034005,C20H39N5O6,CC(C)[C@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H]([C@H](C)O)C(O)=O,"InChI=1S/C20H39N5O6/c1-10(2)14(23-17(27)13(22)8-6-7-9-21)18(28)24-15(11(3)4)19(29)25-16(12(5)26)20(30)31/h10-16,26H,6-9,21-22H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)(H,30,31)/t12-,13+,14-,15+,16-/m0/s1",VSLCIGXQLCYQTD,NPJQDHAYSA,N,Dynorphin B (10-13),VSLCIGXQLCYQTD-NPJQDHAYSA-N
HMDB12937,605.339778163,C26H43N11O6,N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCC(O)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C26H43N11O6/c27-16(8-4-12-33-25(29)30)21(39)35-17(9-5-13-34-26(31)32)22(40)36-18(10-11-20(28)38)23(41)37-19(24(42)43)14-15-6-2-1-3-7-15/h1-3,6-7,16-19H,4-5,8-14,27H2,(H2,28,38)(H,35,39)(H,36,40)(H,37,41)(H,42,43)(H4,29,30,33)(H4,31,32,34)/t16-,17+,18-,19+/m1/s1",YTMBNLHIDIKJIU,HCXYKTFWSA,N,Dynorphin B (6-9),YTMBNLHIDIKJIU-HCXYKTFWSA-N
HMDB12938,1569.877981359,C74H115N21O17,CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O,"InChI=1S/C74H115N21O17/c1-40(2)34-53(91-68(107)54(36-44-18-10-8-11-19-44)86-58(100)39-84-57(99)38-85-62(101)48(76)35-46-25-27-47(97)28-26-46)67(106)89-51(24-17-33-83-74(80)81)63(102)87-50(23-16-32-82-73(78)79)64(103)90-52(29-30-56(77)98)65(104)92-55(37-45-20-12-9-13-21-45)69(108)88-49(22-14-15-31-75)66(105)93-59(41(3)4)70(109)94-60(42(5)6)71(110)95-61(43(7)96)72(111)112/h8-13,18-21,25-28,40-43,48-55,59-61,96-97H,14-17,22-24,29-39,75-76H2,1-7H3,(H2,77,98)(H,84,99)(H,85,101)(H,86,100)(H,87,102)(H,88,108)(H,89,106)(H,90,103)(H,91,107)(H,92,104)(H,93,105)(H,94,109)(H,95,110)(H,111,112)(H4,78,79,82)(H4,80,81,83)/t43-,48-,49+,50-,51?,52+,53-,54-,55?,59+,60+,61+/m1/s1",AGTSSZRZBSNTGQ,QHDWWRMQSA,N,Dynorphin B,AGTSSZRZBSNTGQ-QHDWWRMQSA-N
HMDB12941,284.141244506,C18H20O3,C[C@]12CCC3C(CCC4=CC(=O)C(=O)C=C34)C1CCC2=O,"InChI=1S/C18H20O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3/t11?,12?,14?,18-/m0/s1",WFPLOQDPWXNOST,PEDDLLMLSA,N,"Estrone-2,3-quinone",WFPLOQDPWXNOST-PEDDLLMLSA-N
HMDB12942,284.141244506,C18H20O3,C[C@]12CCC3C(CCC4=C3C=CC(=O)C4=O)C1CCC2=O,"InChI=1S/C18H20O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14H,2-3,5,7-9H2,1H3/t11?,12?,14?,18-/m0/s1",REMSDZFYMQQJFD,PEDDLLMLSA,N,"Estrone-3,4-quinone",REMSDZFYMQQJFD-PEDDLLMLSA-N
HMDB12943,55.934942133,Fe,[Fe+3],InChI=1S/Fe/q+3,VTLYFUHAOXGGBS,UHFFFAOYSA,N,Fe3+,VTLYFUHAOXGGBS-UHFFFAOYSA-N
HMDB12947,604.177297665,C33H32FeN4O4,CC1=C(CCC(O)=O)C2=CC3=[N]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C)C8=[N]7[Fe--]4(N2C1=C8)N56)C(C)=C3CCC(O)=O,"InChI=1S/C33H34N4O4.Fe/c1-7-21-18(4)26-13-28-20(6)23(9-11-33(40)41)31(37-28)15-30-22(8-10-32(38)39)19(5)27(36-30)12-24-16(2)17(3)25(34-24)14-29(21)35-26;/h7,12-15H,1,8-11H2,2-6H3,(H4,34,35,36,37,38,39,40,41);/p-2/b24-12-,25-14?,26-13-,27-12-,28-13-,29-14?,30-15-,31-15-;",KASOULBHUXQGJC,NHCNHRESSA,L,Ferrocytochrome,KASOULBHUXQGJC-NHCNHRESSA-L
HMDB12948,208.08479226,C10H12N2O3,NCCC(=O)C1=C(NC=O)C=CC(O)=C1,"InChI=1S/C10H12N2O3/c11-4-3-10(15)8-5-7(14)1-2-9(8)12-6-13/h1-2,5-6,14H,3-4,11H2,(H,12,13)",CKAXPTWYSHDIBN,UHFFFAOYSA,N,Formyl-5-hydroxykynurenamine,CKAXPTWYSHDIBN-UHFFFAOYSA-N
HMDB12958,410.318480588,C28H42O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1",OTXNTMVVOOBZCV,WAZJVIJMSA,N,Gamma-Tocotrienol,OTXNTMVVOOBZCV-WAZJVIJMSA-N
HMDB12965,1199.583590257,C55H77N17O14,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)C(CC1=CN=CN1)NC(=O)C(N)CCC(O)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O,"InChI=1S/C55H77N17O14/c1-29(2)19-38(49(81)67-37(9-5-17-61-55(58)59)54(86)72-18-6-10-43(72)53(85)63-25-44(57)75)66-45(76)26-64-48(80)39(20-30-11-13-33(74)14-12-30)69-52(84)42(27-73)71-50(82)40(21-31-23-62-36-8-4-3-7-34(31)36)70-51(83)41(22-32-24-60-28-65-32)68-47(79)35(56)15-16-46(77)78/h3-4,7-8,11-14,23-24,28-29,35,37-43,62,73-74H,5-6,9-10,15-22,25-27,56H2,1-2H3,(H2,57,75)(H,60,65)(H,63,85)(H,64,80)(H,66,76)(H,67,81)(H,68,79)(H,69,84)(H,70,83)(H,71,82)(H,77,78)(H4,58,59,61)/t35?,37-,38+,39+,40+,41?,42+,43-/m1/s1",KTVPQHFLYINKPT,BWHZHEQWSA,N,Gonadotropin releasing hormone,KTVPQHFLYINKPT-BWHZHEQWSA-N
HMDB12969,879.204023371,C28H48N7O17P3S,CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23?,27-/m1/s1",CHVYGJMBUXUTSX,AXEMQUGESA,N,Heptanoyl-CoA,CHVYGJMBUXUTSX-AXEMQUGESA-N
HMDB12971,102.10446507,C6H14O,CCCCCCO,"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",ZSIAUFGUXNUGDI,UHFFFAOYSA,N,1-Hexanol,ZSIAUFGUXNUGDI-UHFFFAOYSA-N
HMDB12973,32.037448138,H4N2,NN,InChI=1S/H4N2/c1-2/h1-2H2,OAKJQQAXSVQMHS,UHFFFAOYSA,N,Hydrazine,OAKJQQAXSVQMHS-UHFFFAOYSA-N
HMDB12974,74.977884349,CHNOS,OSC#N,InChI=1S/CHNOS/c2-1-4-3/h3H,ZCZCOXLLICTZAH,UHFFFAOYSA,N,Hypothiocyanite,ZCZCOXLLICTZAH-UHFFFAOYSA-N
HMDB12983,358.232853478,C15H30N6O4,CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C15H30N6O4/c1-4-8(2)11(16)13(23)20-9(3)12(22)21-10(14(24)25)6-5-7-19-15(17)18/h8-11H,4-7,16H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)(H4,17,18,19)/t8-,9-,10+,11-/m0/s1",JXUGDUWBMKIJDC,MMWGEVLESA,N,Kinetensin 1-3,JXUGDUWBMKIJDC-MMWGEVLESA-N
HMDB12984,911.508968753,C41H65N15O9,CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C41H65N15O9/c1-4-22(2)32(42)37(62)51-23(3)33(58)52-27(8-5-15-48-40(43)44)34(59)53-28(9-6-16-49-41(45)46)35(60)54-29(19-25-20-47-21-50-25)38(63)56-17-7-10-31(56)36(61)55-30(39(64)65)18-24-11-13-26(57)14-12-24/h11-14,20-23,27-32,57H,4-10,15-19,42H2,1-3H3,(H,47,50)(H,51,62)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,64,65)(H4,43,44,48)(H4,45,46,49)/t22-,23+,27-,28+,29+,30-,31-,32-/m1/s1",QMQIVQMAYCBWNH,BKRGGBFWSA,N,Kinetensin 1-7,QMQIVQMAYCBWNH-BKRGGBFWSA-N
HMDB12985,1058.577382668,C50H74N16O10,CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C50H74N16O10/c1-4-28(2)40(51)46(73)60-29(3)41(68)61-34(13-8-20-57-49(52)53)42(69)62-35(14-9-21-58-50(54)55)43(70)64-37(25-32-26-56-27-59-32)47(74)66-22-10-15-39(66)45(72)63-36(23-31-16-18-33(67)19-17-31)44(71)65-38(48(75)76)24-30-11-6-5-7-12-30/h5-7,11-12,16-19,26-29,34-40,67H,4,8-10,13-15,20-25,51H2,1-3H3,(H,56,59)(H,60,73)(H,61,68)(H,62,69)(H,63,72)(H,64,70)(H,65,71)(H,75,76)(H4,52,53,57)(H4,54,55,58)/t28-,29+,34-,35+,36+,37-,38-,39+,40-/m1/s1",KLNGALQMFAURPH,DCLZXSHISA,N,Kinetensin 1-8,KLNGALQMFAURPH-DCLZXSHISA-N
HMDB12986,571.286679961,C26H37N9O6,N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C26H37N9O6/c27-18(3-1-9-31-26(28)29)22(37)33-19(12-16-13-30-14-32-16)24(39)35-10-2-4-21(35)23(38)34-20(25(40)41)11-15-5-7-17(36)8-6-15/h5-8,13-14,18-21,36H,1-4,9-12,27H2,(H,30,32)(H,33,37)(H,34,38)(H,40,41)(H4,28,29,31)/t18-,19+,20-,21-/m1/s1",NKRLKOMBOSWILK,PLACYPQZSA,N,Kinetensin 4-7,NKRLKOMBOSWILK-PLACYPQZSA-N
HMDB12987,718.355093876,C35H46N10O7,N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C35H46N10O7/c36-25(8-4-14-40-35(37)38)30(47)43-27(18-23-19-39-20-41-23)33(50)45-15-5-9-29(45)32(49)42-26(16-22-10-12-24(46)13-11-22)31(48)44-28(34(51)52)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,19-20,25-29,46H,4-5,8-9,14-18,36H2,(H,39,41)(H,42,49)(H,43,47)(H,44,48)(H,51,52)(H4,37,38,40)/t25-,26-,27+,28+,29-/m1/s1",CCANVONJZOLPKG,MJXUZWQSSA,N,Kinetensin 4-8,CCANVONJZOLPKG-MJXUZWQSSA-N
HMDB12988,1171.661446647,C56H85N17O11,CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC(C)C)C(O)=O,"InChI=1S/C56H85N17O11/c1-6-32(4)45(57)52(81)66-33(5)46(75)67-38(15-10-22-63-55(58)59)47(76)68-39(16-11-23-64-56(60)61)48(77)71-42(28-36-29-62-30-65-36)53(82)73-24-12-17-44(73)51(80)70-41(27-35-18-20-37(74)21-19-35)49(78)69-40(26-34-13-8-7-9-14-34)50(79)72-43(54(83)84)25-31(2)3/h7-9,13-14,18-21,29-33,38-45,74H,6,10-12,15-17,22-28,57H2,1-5H3,(H,62,65)(H,66,81)(H,67,75)(H,68,76)(H,69,78)(H,70,80)(H,71,77)(H,72,79)(H,83,84)(H4,58,59,63)(H4,60,61,64)/t32-,33+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",PANUJGMSOSQAAY,HAGIGRARSA,N,Kinetensin,PANUJGMSOSQAAY-HAGIGRARSA-N
HMDB12992,151.063328537,C8H9NO2,OC1=C(O)C=C2NCCC2=C1,"InChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9-11H,1-2H2",VGSVNUGKHOVSPK,UHFFFAOYSA,N,Leukoaminochrome,VGSVNUGKHOVSPK-UHFFFAOYSA-N
HMDB12993,623.287650743,C30H45N3O9S,CC\C=C/C\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C30H45N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h3-4,6-7,9-13,16,22-25,34H,2,5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b4-3-,7-6-,10-9-,12-11+,16-13+/t22-,23+,24+,25-/m1/s1",OSBTVMNXIHRFGN,KERZFGRDSA,N,Leukotriene C5,OSBTVMNXIHRFGN-KERZFGRDSA-N
HMDB12994,494.245057648,C25H38N2O6S,CC\C=C/C\C=C/C\C=C/C=C/C=C/[C@H](SC[C@H](N)C(=O)NCC(O)=O)[C@H](O)CCCC(O)=O,"InChI=1S/C25H38N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h3-4,6-7,9-13,16,20-22,28H,2,5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b4-3-,7-6-,10-9-,12-11+,16-13+/t20-,21+,22-/m0/s1",RWLDHKGRPLNPBN,DSJHTHEWSA,N,Leukotriene D5,RWLDHKGRPLNPBN-DSJHTHEWSA-N
HMDB12996,334.138484088,C14H26N2O3S2,N[C@H](CCCCNC(=O)CCCCC1CCSS1)C(O)=O,"InChI=1S/C14H26N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11-8-10-20-21-11/h11-12H,1-10,15H2,(H,16,17)(H,18,19)/t11?,12-/m1/s1",COTIXRRJLCSLLS,PIJUOVFKSA,N,Lipoyllysine,COTIXRRJLCSLLS-PIJUOVFKSA-N
HMDB12999,1638.538798986,C60H102O51,OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O)[C@H](O[C@@H]6[C@@H](O)[C@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)C(O)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@H]6CO)O[C@H]5CO)O[C@H]4CO)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C60H102O51/c61-1-11-21(71)22(72)33(83)52(94-11)104-43-13(3-63)96-54(35(85)24(43)74)106-45-15(5-65)98-56(37(87)26(45)76)108-47-17(7-67)100-58(39(89)28(47)78)110-49-19(9-69)102-60(41(91)30(49)80)111-50-20(10-70)101-59(40(90)31(50)81)109-48-18(8-68)99-57(38(88)29(48)79)107-46-16(6-66)97-55(36(86)27(46)77)105-44-14(4-64)95-53(34(84)25(44)75)103-42-12(2-62)93-51(92)32(82)23(42)73/h11-92H,1-10H2/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-,21-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33-,34+,35-,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46+,47-,48+,49-,50-,51?,52-,53+,54-,55+,56-,57+,58-,59-,60-/m0/s1",RJQKKZNUWRIHCS,VBNQBVOGSA,N,Maltodecaose,RJQKKZNUWRIHCS-VBNQBVOGSA-N
HMDB13000,1152.380328696,C42H72O36,OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)C(O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,32+,33-,34+,35+,36?,37-,38+,39-,40+,41-,42+/m0/s1",BNABBHGYYMZMOA,IKTUXAIHSA,N,Maltoheptaose,BNABBHGYYMZMOA-IKTUXAIHSA-N
HMDB13001,1476.485975556,C54H92O46,OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)C(O)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@H]5CO)O[C@H]4CO)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C54H92O46/c55-1-10-19(64)20(65)30(75)47(85-10)94-39-12(3-57)87-49(32(77)22(39)67)96-41-14(5-59)89-51(34(79)24(41)69)98-43-16(7-61)91-53(36(81)26(43)71)100-45-18(9-63)92-54(37(82)28(45)73)99-44-17(8-62)90-52(35(80)27(44)72)97-42-15(6-60)88-50(33(78)25(42)70)95-40-13(4-58)86-48(31(76)23(40)68)93-38-11(2-56)84-46(83)29(74)21(38)66/h10-83H,1-9H2/t10-,11+,12-,13+,14-,15+,16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41-,42+,43-,44+,45-,46?,47-,48+,49-,50+,51-,52+,53-,54-/m0/s1",KEFAHNNQIPSIMC,WMKZAYDFSA,N,Maltononaose,KEFAHNNQIPSIMC-WMKZAYDFSA-N
HMDB13010,187.120843415,C9H17NO3,CCCCCCC(=O)NCC(O)=O,"InChI=1S/C9H17NO3/c1-2-3-4-5-6-8(11)10-7-9(12)13/h2-7H2,1H3,(H,10,11)(H,12,13)",RNFCYFVPNIXAHP,UHFFFAOYSA,N,N-Heptanoylglycine,RNFCYFVPNIXAHP-UHFFFAOYSA-N
HMDB13016,302.159019834,C12H22N4O5,CC(C)C[C@@H](NC(=O)[C@H](CC(O)=N)NC(=O)CN)C(O)=O,"InChI=1S/C12H22N4O5/c1-6(2)3-8(12(20)21)16-11(19)7(4-9(14)17)15-10(18)5-13/h6-8H,3-5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/t7-,8+/m0/s1",JVWPPCWUDRJGAE,JGVFFNPUSA,N,Neuromedin B (1-3),JVWPPCWUDRJGAE-JGVFFNPUSA-N
HMDB13017,847.379928417,C40H53N11O8S,CSCC[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](N)CC1=CNC2=CC=CC=C12)[C@@H](C)O)C(O)=N,"InChI=1S/C40H53N11O8S/c1-22(47-37(56)28(41)16-25-18-44-29-12-8-7-11-27(25)29)36(55)51-34(23(2)52)40(59)45-20-33(53)48-32(17-26-19-43-21-46-26)39(58)50-31(15-24-9-5-4-6-10-24)38(57)49-30(35(42)54)13-14-60-3/h4-12,18-19,21-23,28,30-32,34,44,52H,13-17,20,41H2,1-3H3,(H2,42,54)(H,43,46)(H,45,59)(H,47,56)(H,48,53)(H,49,57)(H,50,58)(H,51,55)/t22-,23-,28-,30-,31+,32-,34-/m1/s1",MVOFLIKDVHKCBK,FVNKCRITSA,N,Neuromedin B (4-10),MVOFLIKDVHKCBK-FVNKCRITSA-N
HMDB13018,1131.528383565,C52H73N15O12S,CSCC[C@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(O)=N)NC(=O)CN)[C@@H](C)O)C(O)=N,"InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29-,35+,36+,37-,38-,39+,40-,44+/m1/s1",YPFNACALNKVZNK,ICQOWDAWSA,N,Neuromedin B,YPFNACALNKVZNK-ICQOWDAWSA-N
HMDB13019,875.415068369,C39H53N15O9,CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H](CC1=CNC=N1)NC(=O)[C@@H](CC(O)=N)NC(=O)CN)C(=O)NCC(=O)N[C@H](CC1=CNC=N1)C(O)=N,"InChI=1S/C39H53N15O9/c1-19(2)33(39(63)46-16-32(57)50-26(34(42)58)9-22-14-43-17-47-22)54-35(59)20(3)49-36(60)27(8-21-13-45-25-7-5-4-6-24(21)25)52-37(61)28(10-23-15-44-18-48-23)53-38(62)29(11-30(41)55)51-31(56)12-40/h4-7,13-15,17-20,26-29,33,45H,8-12,16,40H2,1-3H3,(H2,41,55)(H2,42,58)(H,43,47)(H,44,48)(H,46,63)(H,49,60)(H,50,57)(H,51,56)(H,52,61)(H,53,62)(H,54,59)/t20-,26+,27-,28+,29+,33+/m0/s1",GGPOKZDOZLSFCF,CTQSJLOZSA,N,Neuromedin C 1-8,GGPOKZDOZLSFCF-CTQSJLOZSA-N
HMDB13020,1119.539616953,C50H73N17O11S,CSCC[C@@H](NC(=O)C(CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](CC(N)=O)NC(=O)CN)C(C)C)C(N)=O,"InChI=1S/C50H73N17O11S/c1-25(2)13-34(46(74)63-33(43(53)71)11-12-79-6)64-47(75)36(15-29-20-54-23-58-29)62-41(70)22-57-50(78)42(26(3)4)67-44(72)27(5)60-45(73)35(14-28-19-56-32-10-8-7-9-31(28)32)65-48(76)37(16-30-21-55-24-59-30)66-49(77)38(17-39(52)68)61-40(69)18-51/h7-10,19-21,23-27,33-38,42,56H,11-18,22,51H2,1-6H3,(H2,52,68)(H2,53,71)(H,54,58)(H,55,59)(H,57,78)(H,60,73)(H,61,69)(H,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)/t27-,33+,34?,35+,36-,37-,38+,42+/m0/s1",RWBLWXCGQLZKLK,FHOLMIEWSA,N,Neuromedin C,RWBLWXCGQLZKLK-FHOLMIEWSA-N
HMDB13021,504.294785032,C26H40N4O6,CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H]([C@H](C)CC)C(O)=O,"InChI=1S/C26H40N4O6/c1-5-15(3)21(27)25(34)30-13-7-8-20(30)24(33)28-19(14-17-9-11-18(31)12-10-17)23(32)29-22(26(35)36)16(4)6-2/h9-12,15-16,19-22,31H,5-8,13-14,27H2,1-4H3,(H,28,33)(H,29,32)(H,35,36)/t15-,16-,19+,20+,21-,22-/m1/s1",SKGLAZSLOGYCCA,PEFXOJROSA,N,Neuromedin N (1-4),SKGLAZSLOGYCCA-PEFXOJROSA-N
HMDB13022,617.378849011,C32H51N5O7,CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O,"InChI=1S/C32H51N5O7/c1-7-19(5)26(33)31(42)37-15-9-10-25(37)29(40)34-23(17-21-11-13-22(38)14-12-21)28(39)36-27(20(6)8-2)30(41)35-24(32(43)44)16-18(3)4/h11-14,18-20,23-27,38H,7-10,15-17,33H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)(H,43,44)/t19-,20-,23+,24+,25+,26-,27-/m1/s1",NSLIVCMCAULZET,WFJLUAAKSA,N,Neuromedin N,NSLIVCMCAULZET-WFJLUAAKSA-N
HMDB13023,1282.678218922,C57H90N18O16,CC(C)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C57H90N18O16/c1-30(2)27-38(71-47(82)34-18-20-44(78)66-34)49(84)72-39(28-31-14-16-32(76)17-15-31)50(85)67-35(19-21-45(79)80)48(83)73-40(29-43(59)77)51(86)70-36(9-3-4-22-58)53(88)74-25-7-12-41(74)52(87)68-33(10-5-23-64-56(60)61)46(81)69-37(11-6-24-65-57(62)63)54(89)75-26-8-13-42(75)55(90)91/h14-17,30,33-42,76H,3-13,18-29,58H2,1-2H3,(H2,59,77)(H,66,78)(H,67,85)(H,68,87)(H,69,81)(H,70,86)(H,71,82)(H,72,84)(H,73,83)(H,79,80)(H,90,91)(H4,60,61,64)(H4,62,63,65)/t33-,34+,35+,36+,37+,38+,39-,40+,41-,42-/m0/s1",HRJVZMYUVJBTHQ,AYDUOSKHSA,N,Neurotensin 1-10,HRJVZMYUVJBTHQ-AYDUOSKHSA-N
HMDB13024,407.242021181,C21H33N3O5,CCC(C)[C@H](NC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CC(C)C)C(O)=O,"InChI=1S/C21H33N3O5/c1-5-13(4)18(20(27)23-17(21(28)29)10-12(2)3)24-19(26)16(22)11-14-6-8-15(25)9-7-14/h6-9,12-13,16-18,25H,5,10-11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t13?,16-,17-,18+/m1/s1",HVPPEXXUDXAPOM,WOFBESPQSA,N,Neurotensin 11-13,HVPPEXXUDXAPOM-WOFBESPQSA-N
HMDB13025,355.263705364,C24H35O2,CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCCC([O-])=O,"InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23H2,1H3,(H,25,26)/p-1/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+",YHGJECVSSKXFCJ,SFGLVEFQSA,M,"6,9,12,15,18,21-Tetracosahexaenoic acid",YHGJECVSSKXFCJ-SFGLVEFQSA-M
HMDB13028,907.235323499,C30H52N7O17P3S,CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25?,29-/m1/s1",WLDUTYVSAGSKIV,YUXRTGJASA,N,Nonanoyl-CoA,WLDUTYVSAGSKIV-YUXRTGJASA-N
HMDB13029,166.050418127,C8H8NO3,[O]C1=C(O)C=C2NCC(O)C2=C1,"InChI=1S/C8H8NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,11-12H,3H2",OHRTXTGCGQYCMB,UHFFFAOYSA,N,Noradrenochrome o-semiquinone,OHRTXTGCGQYCMB-UHFFFAOYSA-N
HMDB13030,165.042593095,C8H7NO3,OC1CN=C2CC(=O)C(=O)C=C12,"InChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1,8,12H,2-3H2",PTQNKGWWIYGAAE,UHFFFAOYSA,N,Noradrenochrome,PTQNKGWWIYGAAE-UHFFFAOYSA-N
HMDB13031,239.101839307,C9H13N5O3,C[C@H]1OC23NC(CNC2=NC(N)=NC3=O)[C@H]1O,"InChI=1S/C9H13N5O3/c1-3-5(15)4-2-11-6-9(14-4,17-3)7(16)13-8(10)12-6/h3-5,14-15H,2H2,1H3,(H3,10,11,12,13,16)/t3-,4?,5+,9?/m1/s1",JZTDUNXDDUJXRZ,UPYOWCHBSA,N,O2'-4a-cyclic-tetrahydrobiopterin,JZTDUNXDDUJXRZ-UPYOWCHBSA-N
HMDB13032,338.172938564,C18H26O6,O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCC(O)=O,"InChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/b2-1+,6-3-,9-4+,10-5-/t15-,16+/m1/s1",XWRIIHRGMKHPHN,LLVPEOCGSA,N,Omega-Carboxy-trinor-leukotriene B4,XWRIIHRGMKHPHN-LLVPEOCGSA-N
HMDB13033,936.383358814,C40H60N10O12S2,CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)C(N)SSC[C@@H](NC(=O)C(CC(O)=N)NC(=O)[C@H](CCC(O)=N)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(O)=O,"InChI=1S/C40H60N10O12S2/c1-5-20(4)31-37(58)44-23(12-13-29(41)52)33(54)45-25(17-30(42)53)34(55)48-27(39(60)50-14-6-7-28(50)36(57)47-26(40(61)62)15-19(2)3)18-63-64-32(43)38(59)46-24(35(56)49-31)16-21-8-10-22(51)11-9-21/h8-11,19-20,23-28,31-32,51H,5-7,12-18,43H2,1-4H3,(H2,41,52)(H2,42,53)(H,44,58)(H,45,54)(H,46,59)(H,47,57)(H,48,55)(H,49,56)(H,61,62)/t20-,23+,24+,25?,26-,27-,28-,31+,32?/m1/s1",XGKIWGGRSRCBRX,YOKTWZFESA,N,Oxytocin 1-8,XGKIWGGRSRCBRX-YOKTWZFESA-N
HMDB13034,313.261693991,C18H35NO3,CCCCCCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)",KVTFEOAKFFQCCX,UHFFFAOYSA,N,Palmitoylglycine,KVTFEOAKFFQCCX-UHFFFAOYSA-N
HMDB13035,275.055873697,C10H14NO6P,CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3",WYMSBXTXOHUIGT,UHFFFAOYSA,N,Paraoxon,WYMSBXTXOHUIGT-UHFFFAOYSA-N
HMDB13036,88.088815006,C5H12O,CCCCCO,"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3",AMQJEAYHLZJPGS,UHFFFAOYSA,N,1-Pentanol,AMQJEAYHLZJPGS-UHFFFAOYSA-N
HMDB13037,851.172723243,C26H44N7O17P3S,CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C26H44N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1",RXUATCUKICAIOA,TVCSPYKZSA,N,Pentanoyl-CoA,RXUATCUKICAIOA-TVCSPYKZSA-N
HMDB13038,395.267173299,C22H37NO5,CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)NCCO,"InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-19,21,24-25,27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,21-/m0/s1",GKKWUSPPIQURFM,XXHBNTRVSA,N,Prostaglandin E2 ethanolamide,GKKWUSPPIQURFM-XXHBNTRVSA-N
HMDB13039,370.23553882,C20H34O6,CCCCC[C@H](OO)\C=C\[C@@H]1[C@@H]2C[C@@H](OO2)[C@H]1CCCCCCC(O)=O,"InChI=1S/C20H34O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h12-13,15-19,23H,2-11,14H2,1H3,(H,21,22)/b13-12+/t15-,16-,17-,18+,19-/m0/s1",QXCRWNZYEVOQMB,NDWDMBLISA,N,Prostaglandin G1,QXCRWNZYEVOQMB-NDWDMBLISA-N
HMDB13040,350.20932407,C20H30O5,CC\C=C/C[C@@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h3-4,6-7,12-13,15-19,21H,2,5,8-11,14H2,1H3,(H,22,23)/b6-3-,7-4-,13-12+/t15-,16-,17-,18+,19-/m1/s1",PVTQTOGPOPGQGE,LWAFXZDQSA,N,PGH3,PVTQTOGPOPGQGE-LWAFXZDQSA-N
HMDB13041,354.240624198,C20H34O5,CCCCC[C@H](O)\C=C\[C@@H]1[C@@H]2C[C@@H](OO2)[C@H]1CCCCCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/t15-,16-,17-,18+,19-/m0/s1",NTAYABHEVAQSJS,NDWDMBLISA,N,Prostaglandin H1,NTAYABHEVAQSJS-NDWDMBLISA-N
HMDB13043,426.26175357,C23H38O7,CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)OC[C@H](O)CO,"InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18+,19+,20+,22-/m0/s1",RJXVYMMSQBYEHN,SDTVLRMPSA,N,Prostaglandin PGE2 1-glyceryl ester,RJXVYMMSQBYEHN-SDTVLRMPSA-N
HMDB13045,426.26175357,C23H38O7,CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](O)CC(=O)[C@H]1C\C=C/CCCC(=O)OC(CO)CO,"InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19-,20-,22-/m0/s1",HJWDPZIOTMUWRW,KSGZNQJUSA,N,Prostaglandin PGE2 glyceryl ester,HJWDPZIOTMUWRW-KSGZNQJUSA-N
HMDB13046,541.292067419,C24H47NO10S,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[C@H]1O[C@@H](COS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O,"InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20-,21?,22+,23-,24-/m0/s1",UIEYIJKBVSNMMH,BHEXUNOXSA,N,Psychosine sulfate,UIEYIJKBVSNMMH-BHEXUNOXSA-N
HMDB13055,645.329515557,C30H51N3O10S,CCCCC[C@H](O)CC(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H]1C(O)CC[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C30H51N3O10S/c1-2-3-6-10-20(34)16-24(28-19(12-14-23(28)35)9-7-4-5-8-11-26(37)38)44-18-22(29(41)32-17-27(39)40)33-25(36)15-13-21(31)30(42)43/h4,7,19-24,28,34-35H,2-3,5-6,8-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-/t19-,20-,21+,22+,23?,24?,28+/m0/s1",BVYNXGKKWADCHD,RXULBTIMSA,N,S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione,BVYNXGKKWADCHD-RXULBTIMSA-N
HMDB13056,643.313865493,C30H49N3O10S,CCCCC[C@H](O)C\C=C1\C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H]1C\C=C/CCCC(O)=O,"InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,13,19,21-25,34-35H,2-3,5-6,8-12,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,20-13+/t19-,21-,22+,23-,24?,25?/m0/s1",QZWLKAYYUQXKSI,KBQILROESA,N,"S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione",QZWLKAYYUQXKSI-KBQILROESA-N
HMDB13057,643.313865493,C30H49N3O10S,CCCCC[C@H](O)CC(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H]1[C@@H](C\C=C/CCCC(O)=O)CCC1=O,"InChI=1S/C30H49N3O10S/c1-2-3-6-10-20(34)16-24(28-19(12-14-23(28)35)9-7-4-5-8-11-26(37)38)44-18-22(29(41)32-17-27(39)40)33-25(36)15-13-21(31)30(42)43/h4,7,19-22,24,28,34H,2-3,5-6,8-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-/t19-,20-,21+,22+,24?,28+/m0/s1",FRARAXHWXSZZOK,JXVDKITNSA,N,S-(9-deoxy-delta12-PGD2)-glutathione,FRARAXHWXSZZOK-JXVDKITNSA-N
HMDB13058,641.298215429,C30H47N3O10S,CCCCC[C@H](O)C\C=C1/[C@H](C\C=C/CCCC(O)=O)C(CC1=O)SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,13,19,21-23,25,34H,2-3,5-6,8-12,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,20-13+/t19-,21-,22+,23-,25?/m0/s1",RPHLHZIDWIFTII,RJQMMLODSA,N,"S-(9-deoxy-delta9,12-PGD2)-glutathione",RPHLHZIDWIFTII-RJQMMLODSA-N
HMDB13059,645.329515557,C30H51N3O10S,CCCCC[C@H](O)\C=C\[C@@H]1C(CC(O)[C@@H]1CCCCCCC(O)=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C30H51N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-25,34-35H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b13-12+/t19-,20+,21-,22+,23+,24?,25?/m0/s1",NQVXHXBSCJHHMO,LJAYPFBRSA,N,S-(9-hydroxy-PGA1)-glutathione,NQVXHXBSCJHHMO-LJAYPFBRSA-N
HMDB13060,643.313865493,C30H49N3O10S,CCCCC[C@H](O)\C=C\[C@@H]1C(CC(O)[C@@H]1C\C=C/CCCC(O)=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,12-13,19-25,34-35H,2-3,5-6,8-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,13-12+/t19-,20+,21-,22+,23+,24?,25?/m0/s1",KUKCWBNBPICNAJ,BTGAYFLPSA,N,S-(9-hydroxy-PGA2)-glutathione,KUKCWBNBPICNAJ-BTGAYFLPSA-N
HMDB13061,643.313865493,C30H49N3O10S,CCCCCC(O)\C=C\[C@H]1C(CC(=O)C1CCCCCCC(O)=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-23,25,34H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b13-12+/t19?,20?,21-,22+,23+,25?/m1/s1",HXBAELAEMDXAJM,NFDDWZFFSA,N,S-(PGA1)-glutathione,HXBAELAEMDXAJM-NFDDWZFFSA-N
HMDB13062,641.298215429,C30H47N3O10S,CCCCCC(O)\C=C\[C@@H]1C(CC(=O)[C@@H]1C\C=C/CCCC(O)=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,12-13,19-23,25,34H,2-3,5-6,8-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,13-12+/t19?,20-,21+,22-,23-,25?/m1/s1",XUKIKVBUXFVHNV,MFAQWRDPSA,N,S-(PGA2)-glutathione,XUKIKVBUXFVHNV-MFAQWRDPSA-N
HMDB13063,641.298215429,C30H47N3O10S,CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C(CC1=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,12-13,19-23,25,34H,2-3,5-6,8-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,13-12+/t19-,20+,21+,22+,23+,25?/m0/s1",RJCPXHXLCWWGHO,APFRPCTBSA,N,S-(PGJ2)-glutathione,RJCPXHXLCWWGHO-APFRPCTBSA-N
HMDB13067,237.100107973,C12H15NO4,COC1=C(O)C=C2CCN[C@@](C)(C(O)=O)C2=C1,"InChI=1S/C12H15NO4/c1-12(11(15)16)8-6-10(17-2)9(14)5-7(8)3-4-13-12/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)/t12-/m1/s1",CJEFWISJWQNPSZ,GFCCVEGCSA,N,Salsoline-1-carboxylate,CJEFWISJWQNPSZ-GFCCVEGCSA-N
HMDB13068,223.084457909,C11H13NO4,C[C@@]1(NCCC2=C1C=C(O)C(O)=C2)C(O)=O,"InChI=1S/C11H13NO4/c1-11(10(15)16)7-5-9(14)8(13)4-6(7)2-3-12-11/h4-5,12-14H,2-3H2,1H3,(H,15,16)/t11-/m0/s1",XHGLVMDBZZZXDP,NSHDSACASA,N,Salsolinol 1-carboxylate,XHGLVMDBZZZXDP-NSHDSACASA-N
HMDB13070,210.089208936,C11H14O4,COC1=CC(\C=C\CO)=CC(OC)=C1O,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",LZFOPEXOUVTGJS,ONEGZZNKSA,N,Sinapyl alcohol,LZFOPEXOUVTGJS-ONEGZZNKSA-N
HMDB13071,1522.67372717,C72H98N16O17S2,CC(O)C1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)CSSCC[C@H](NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O)[C@H](C)O)C(O)=O,"InChI=1S/C72H98N16O17S2/c1-40(90)59-70(102)85-54(34-44-22-10-5-11-23-44)68(100)88-60(41(2)91)71(103)86-57(38-89)69(101)80-51(72(104)105)28-31-106-107-39-47(75)61(93)78-49(26-14-16-29-73)62(94)84-56(36-58(76)92)67(99)82-52(32-42-18-6-3-7-19-42)64(96)81-53(33-43-20-8-4-9-21-43)65(97)83-55(35-45-37-77-48-25-13-12-24-46(45)48)66(98)79-50(63(95)87-59)27-15-17-30-74/h3-13,18-25,37,40-41,47,49-57,59-60,77,89-91H,14-17,26-36,38-39,73-75H2,1-2H3,(H2,76,92)(H,78,93)(H,79,98)(H,80,101)(H,81,96)(H,82,99)(H,83,97)(H,84,94)(H,85,102)(H,86,103)(H,87,95)(H,88,100)(H,104,105)/t40?,41-,47-,49+,50+,51-,52+,53+,54+,55+,56+,57+,59?,60+/m0/s1",TZTLCJNYBHBVBN,DZCACUQDSA,N,Somatostatin fragment 3-14,TZTLCJNYBHBVBN-DZCACUQDSA-N
HMDB13072,1650.73230468,C77H106N18O19S2,C[C@H](O)[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)C(CSSCC[C@H](NC(=O)[C@@H](CO)NC(=O)C(NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O)C(C)O)C(O)=O)NC(=O)CNC(=O)[C@@H](C)N,"InChI=1S/C77H106N18O19S2/c1-42(80)65(101)83-39-62(100)84-60-41-116-115-32-29-53(77(113)114)87-73(109)59(40-96)93-76(112)64(44(3)98)95-72(108)56(35-47-23-11-6-12-24-47)92-75(111)63(43(2)97)94-67(103)52(28-16-18-31-79)85-70(106)57(36-48-38-82-50-26-14-13-25-49(48)50)90-69(105)55(34-46-21-9-5-10-22-46)88-68(104)54(33-45-19-7-4-8-20-45)89-71(107)58(37-61(81)99)91-66(102)51(86-74(60)110)27-15-17-30-78/h4-14,19-26,38,42-44,51-60,63-64,82,96-98H,15-18,27-37,39-41,78-80H2,1-3H3,(H2,81,99)(H,83,101)(H,84,100)(H,85,106)(H,86,110)(H,87,109)(H,88,104)(H,89,107)(H,90,105)(H,91,102)(H,92,111)(H,93,112)(H,94,103)(H,95,108)(H,113,114)/t42-,43+,44?,51-,52-,53+,54-,55-,56-,57-,58-,59-,60?,63-,64?/m1/s1",KTEPWBJBSMMZIC,LJTSQLRWSA,N,Somatostatin,KTEPWBJBSMMZIC-LJTSQLRWSA-N
HMDB13075,232.142307138,C10H20N2O4,OC(=O)CCNCCCCNCCC(O)=O,"InChI=1S/C10H20N2O4/c13-9(14)3-7-11-5-1-2-6-12-8-4-10(15)16/h11-12H,1-8H2,(H,13,14)(H,15,16)",DGMOQCHIPOPXEK,UHFFFAOYSA,N,Spermic acid 2,DGMOQCHIPOPXEK-UHFFFAOYSA-N
HMDB13076,200.152477894,C10H20N2O2,O=CCCNCCCCNCCC=O,"InChI=1S/C10H20N2O2/c13-9-3-7-11-5-1-2-6-12-8-4-10-14/h9-12H,1-8H2",WPBJCXUUUSDQJO,UHFFFAOYSA,N,Spermine dialdehyde,WPBJCXUUUSDQJO-UHFFFAOYSA-N
HMDB13078,327.313729561,C20H41NO2,CCCCCCCCCCCCCCCCCC(=O)NCCO,"InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)",OTGQIQQTPXJQRG,UHFFFAOYSA,N,Stearoylethanolamide,OTGQIQQTPXJQRG-UHFFFAOYSA-N
HMDB13105,168.115029756,C10H16O2,CCCCCC1OC1\C=C\C=O,"InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+",HIOMEXREAUSUBP,FNORWQNLSA,N,"trans-4,5-epoxy-2(E)-decenal",HIOMEXREAUSUBP-FNORWQNLSA-N
HMDB13109,963.297923755,C34H60N7O17P3S,CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C34H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h21-23,27-29,33,44-45H,4-20H2,1-3H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t23-,27-,28-,29?,33-/m1/s1",TZKUYUHMJHEXOQ,XILBVEEWSA,N,Tridecanoyl-CoA,TZKUYUHMJHEXOQ-XILBVEEWSA-N
HMDB13111,864.699561432,C59H92O4,COC1=C(OC)C(O)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(C)=C1O,"InChI=1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+",QNTNKSLOFHEFPK,UPTCCGCDSA,N,Ubiquinol-10,QNTNKSLOFHEFPK-UPTCCGCDSA-N
HMDB13112,607.081569477,C17H27N3O17P2,CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H](CO)OC1OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10+,11-,12-,13-,14-,15-,16?/m0/s1",LFTYTUAZOPRMMI,IUPDHGCPSA,N,UDP-N-acetyl-D-mannosamine,LFTYTUAZOPRMMI-IUPDHGCPSA-N
HMDB13113,172.18271539,C11H24O,CCCCCCCCCCCO,"InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3",KJIOQYGWTQBHNH,UHFFFAOYSA,N,1-Undecanol,KJIOQYGWTQBHNH-UHFFFAOYSA-N
HMDB13114,935.266623627,C32H56N7O17P3S,CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,25-,26-,27?,31-/m1/s1",IZWCGXGZGYKDHR,WMMBNDHFSA,N,Undecanoyl-CoA,IZWCGXGZGYKDHR-WMMBNDHFSA-N
HMDB13115,893.219673435,C29H50N7O17P3S,CCCC(CCC)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C29H50N7O17P3S/c1-5-7-17(8-6-2)28(41)57-12-11-31-19(37)9-10-32-26(40)23(39)29(3,4)14-50-56(47,48)53-55(45,46)49-13-18-22(52-54(42,43)44)21(38)27(51-18)36-16-35-20-24(30)33-15-34-25(20)36/h15-18,21-23,27,38-39H,5-14H2,1-4H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,21-,22-,23?,27-/m1/s1",UCIOSJWVYJWBEO,XJJJFWNASA,N,Valproyl-CoA,UCIOSJWVYJWBEO-XJJJFWNASA-N
HMDB13116,201.136493479,C10H19NO3,CCCC(CCC)C(=O)NCC(O)=O,"InChI=1S/C10H19NO3/c1-3-5-8(6-4-2)10(14)11-7-9(12)13/h8H,3-7H2,1-2H3,(H,11,14)(H,12,13)",QBKXUUNBNHZZPK,UHFFFAOYSA,N,Valproylglycine,QBKXUUNBNHZZPK-UHFFFAOYSA-N
HMDB13117,284.214015518,C20H28O,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C=CCC1(C)C,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",XWCYDHJOKKGVHC,OVSJKPMPSA,N,Vitamin A2,XWCYDHJOKKGVHC-OVSJKPMPSA-N
HMDB13118,367.090331147,C16H17NO9,OC[C@H]1O[C@@H](OC2=C3N=C(C=C(O)C3=CC=C2)C(O)=O)[C@@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C16H17NO9/c18-5-10-12(20)13(21)14(22)16(26-10)25-9-3-1-2-6-8(19)4-7(15(23)24)17-11(6)9/h1-4,10,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)/t10-,12+,13+,14+,16-/m1/s1",MYFHOUJDPFBJLH,XGJKELJWSA,N,Xanthurenate-8-O-beta-D-glucoside,MYFHOUJDPFBJLH-XGJKELJWSA-N
HMDB13121,314.224580204,C21H30O2,CC(=O)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,15,17-19,23H,6-12H2,1-3H3/t15-,17?,18?,19?,20-,21+/m0/s1",QTVNPWWLYMFLEI,IOHSXPNESA,N,7-Dehydropregnenolone,QTVNPWWLYMFLEI-IOHSXPNESA-N
HMDB13122,507.368874977,C26H54NO6P,CCCCCCCCCCCCCCCC\C=C/OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h20,22,26,28H,5-19,21,23-25H2,1-4H3/b22-20-/t26-/m1/s1",WBOMIOWRFSPZMC,AYICAFKVSA,N,LysoPC(P-18:0),WBOMIOWRFSPZMC-AYICAFKVSA-N
HMDB13124,215.115758037,C10H17NO4,C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)C=C,"InChI=1S/C10H17NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m0/s1",YUCNWOKTRWJLGY,QMMMGPOBSA,N,Propenoylcarnitine,YUCNWOKTRWJLGY-QMMMGPOBSA-N
HMDB13125,233.126322723,C10H19NO5,C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)CCO,"InChI=1S/C10H19NO5/c1-11(2,3)7-8(6-9(13)14)16-10(15)4-5-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1",QJGJXKFJFRSERW,QMMMGPOBSA,N,Hydroxypropionylcarnitine,QJGJXKFJFRSERW-QMMMGPOBSA-N
HMDB13126,229.131408101,C11H19NO4,C\C=C\C(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C11H19NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h5-6,9H,7-8H2,1-4H3/b6-5+/t9-/m0/s1",HQDBMDGXEZLSNK,CYNONHLPSA,N,Butenylcarnitine,HQDBMDGXEZLSNK-CYNONHLPSA-N
HMDB13127,247.141972787,C11H21NO5,CC(O)CC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m0/s1",UEFRDQSMQXDWTO,GKAPJAKFSA,N,Hydroxybutyrylcarnitine,UEFRDQSMQXDWTO-GKAPJAKFSA-N
HMDB13128,245.162708229,C12H23NO4,CCCCC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C12H23NO4/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1",VSNFQQXVMPSASB,JTQLQIEISA,N,Valerylcarnitine,VSNFQQXVMPSASB-JTQLQIEISA-N
HMDB13129,273.121237345,C12H19NO6,OC(=O)C\C=C\C(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C12H19NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h4,6,9H,5,7-8H2,1-3H3,(H-,14,15,16,17)/b6-4+/t9-/m0/s1",JXVUHLILXGZLFR,DNQSNQRASA,N,Glutaconylcarnitine,JXVUHLILXGZLFR-DNQSNQRASA-N
HMDB13130,275.136887409,C12H21NO6,C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)CCCC(O)=O,"InChI=1S/C12H21NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h9H,4-8H2,1-3H3,(H-,14,15,16,17)/t9-/m0/s1",NXJAXUYOQLTISD,VIFPVBQESA,N,Glutarylcarnitine,NXJAXUYOQLTISD-VIFPVBQESA-N
HMDB13131,275.173272915,C13H25NO5,CCCC(O)CC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C13H25NO5/c1-5-6-10(15)7-13(18)19-11(8-12(16)17)9-14(2,3)4/h10-11,15H,5-9H2,1-4H3/t10?,11-/m0/s1",VYEONLJQPYRKAN,DTIOYNMSSA,N,Hydroxyhexanoycarnitine,VYEONLJQPYRKAN-DTIOYNMSSA-N
HMDB13132,263.173272915,C12H25NO5,CCC(O)CC(O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C12H25NO5/c1-5-9(14)6-12(17)18-10(7-11(15)16)8-13(2,3)4/h9-10,12,14,17H,5-8H2,1-4H3/t9?,10-,12?/m0/s1",PSRQDLCMEPQOQH,YZRBJQDESA,N,Hydroxyvalerylcarnitine,PSRQDLCMEPQOQH-YZRBJQDESA-N
HMDB13133,261.121237345,C11H19NO6,CC(C(O)=O)C(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C11H19NO6/c1-7(10(15)16)11(17)18-8(5-9(13)14)6-12(2,3)4/h7-8H,5-6H2,1-4H3,(H-,13,14,15,16)/t7?,8-/m0/s1",XROYFEWIXXCPAW,MQWKRIRWSA,N,Methylmalonylcarnitine,XROYFEWIXXCPAW-MQWKRIRWSA-N
HMDB13134,259.105587281,C11H17NO6,[O-]C(=O)C[C@H](OC(=O)\C=C\C(O)=O)C[N+](C)(C)C,"InChI=1S/C11H17NO6/c1-12(2,3)7-8(6-10(15)16)18-11(17)5-4-9(13)14/h4-5,8H,6-7H2,1-3H3,(H-,13,14,15,16)/b5-4+/t8-/m0/s1",QMRSJQVUNCCUCI,ZJELKQJVSA,N,Fumarycarnitine,QMRSJQVUNCCUCI-ZJELKQJVSA-N
HMDB13136,74.08439833,C3H10N2,CC(N)CN,"InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3",AOHJOMMDDJHIJH,UHFFFAOYSA,N,"1,2 Diaminopropane",AOHJOMMDDJHIJH-UHFFFAOYSA-N
HMDB13139,220.088815006,C16H12O,OC1C=CC2=CCC3=C4C(C=CC1=C24)=CC=C3,"InChI=1S/C16H12O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-3,5-9,14,17H,4H2",CDYIVSAQQUIYKS,UHFFFAOYSA,N,1-Hydroxypyrene,CDYIVSAQQUIYKS-UHFFFAOYSA-N
HMDB13141,150.054160834,C6H6N4O,CN1C=NC2=C(NC=N2)C1=O,"InChI=1S/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3H,1H3,(H,7,8)",KIQMCGMHGVXDFW,UHFFFAOYSA,N,1-Methylhypoxanthine,KIQMCGMHGVXDFW-UHFFFAOYSA-N
HMDB13154,443.361073683,C25H49NO5,CCCCCCC(O)CCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C25H49NO5/c1-5-6-7-14-17-22(27)18-15-12-10-8-9-11-13-16-19-25(30)31-23(20-24(28)29)21-26(2,3)4/h22-23,27H,5-21H2,1-4H3",QAIWREXEZLJMTC,UHFFFAOYSA,N,12-Hydroxy-12-octadecanoylcarnitine,QAIWREXEZLJMTC-UHFFFAOYSA-N
HMDB13156,306.219494826,C19H30O3,C[C@]12CCC3C(CCC4C[C@H](O)CC[C@]34C)C1C[C@@H](O)C2=O,"InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-16,20-21H,3-10H2,1-2H3/t11?,12-,13?,14?,15?,16-,18+,19+/m1/s1",HLQYTKUIIJTNHH,LIEJGXIJSA,N,16-alpha-Hydroxyandrosterone,HLQYTKUIIJTNHH-LIEJGXIJSA-N
HMDB13157,364.224974134,C21H32O5,C[C@]12CC[C@@H](O)CC1CCC1C3CC[C@H](C(=O)CO)[C@@]3(CO)CC(=O)C21,"InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h12-16,19,22-24H,2-11H2,1H3/t12?,13-,14?,15?,16-,19?,20+,21-/m1/s1",UQRPWWKJWZFNAE,HATFOLNYSA,N,18-Hydroxy-11-dehydrotetrahydrocorticosterone,UQRPWWKJWZFNAE-HATFOLNYSA-N
HMDB13158,424.282489012,C24H40O6,C[C@]12CCC3C(C1CCC2[C@H](O)CCCC(O)=O)[C@@H](O)CC1C[C@H](O)C[C@@H](O)[C@]31C,"InChI=1S/C24H40O6/c1-23-9-8-17-22(16(23)7-6-15(23)18(26)4-3-5-21(29)30)19(27)11-13-10-14(25)12-20(28)24(13,17)2/h13-20,22,25-28H,3-12H2,1-2H3,(H,29,30)/t13?,14-,15?,16?,17?,18+,19-,20+,22?,23+,24-/m0/s1",TVLHFFLEOSSHFT,QVLZICSDSA,N,"1b,3a,7b-Trihydroxy-5b-cholanoic acid",TVLHFFLEOSSHFT-QVLZICSDSA-N
HMDB13159,168.053492132,C7H8N2O3,NC1=CC=C(O)C(C(O)=O)=C1N,"InChI=1S/C7H8N2O3/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2,10H,8-9H2,(H,11,12)",CGKSFNAGRBJNJO,UHFFFAOYSA,N,"2,3-Diaminosalicylic acid",CGKSFNAGRBJNJO-UHFFFAOYSA-N
HMDB13161,257.162708229,C13H23NO4,CCC\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C13H23NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3/b8-7+",JUAQYRSUSCWTQK,BQYQJAHWSA,N,2-Hexenoylcarnitine,JUAQYRSUSCWTQK-BQYQJAHWSA-N
HMDB13162,200.165053953,C11H22NO2,CCC\C=C\C(=O)OCC[N+](C)(C)C,"InChI=1S/C11H22NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h7-8H,5-6,9-10H2,1-4H3/q+1/b8-7+",FEBXWAFFYJZFMS,BQYQJAHWSA,N,2-Hexenoylcholine,FEBXWAFFYJZFMS-BQYQJAHWSA-N
HMDB13163,182.073164942,C13H10O,OC1=CC2=C(C=C1)C1=CC=CC=C1C2,"InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2",ZDOIAPGLORMKTR,UHFFFAOYSA,N,2-Hydroxyfluorene,ZDOIAPGLORMKTR-UHFFFAOYSA-N
HMDB13164,359.267173299,C19H37NO5,CCCCCCCCCCC(O)C(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-13-17(21)19(24)25-16(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3",PBBJEGGNZPXIGJ,UHFFFAOYSA,N,2-Hydroxylauroylcarnitine,PBBJEGGNZPXIGJ-UHFFFAOYSA-N
HMDB13166,387.298473427,C21H41NO5,CCCCCCCCCCCCC(O)C(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-19(23)21(26)27-18(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3",WWDZVVWQNWNRDM,UHFFFAOYSA,N,2-Hydroxymyristoylcarnitine,WWDZVVWQNWNRDM-UHFFFAOYSA-N
HMDB13187,1051.313967749,C37H64N7O20P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCCCCCCCCCCCC(O)=O,"InChI=1S/C37H64N7O20P3S/c1-37(2,32(51)35(52)40-16-15-26(46)39-17-18-68-28(49)19-24(45)13-11-9-7-5-3-4-6-8-10-12-14-27(47)48)21-61-67(58,59)64-66(56,57)60-20-25-31(63-65(53,54)55)30(50)36(62-25)44-23-43-29-33(38)41-22-42-34(29)44/h22-25,30-32,36,45,50-51H,3-21H2,1-2H3,(H,39,46)(H,40,52)(H,47,48)(H,56,57)(H,58,59)(H2,38,41,42)(H2,53,54,55)/t24?,25-,30-,31-,32?,36-/m1/s1",QNUDSTASHBDCFR,BIOGMENVSA,N,3-Hydroxyhexdecanedioyl-CoA,QNUDSTASHBDCFR-BIOGMENVSA-N
HMDB13188,139.026943031,C6H5NO3,OC(=O)C1=C(O)C=CC=N1,"InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)",BRARRAHGNDUELT,UHFFFAOYSA,N,3-Hydroxypicolinic acid,BRARRAHGNDUELT-UHFFFAOYSA-N
HMDB13189,337.079766461,C15H15NO8,O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=CNC3=CC=CC=C23)OC([C@H]1O)C(O)=O,"InChI=1S/C15H15NO8/c17-9-10(18)12(13(20)21)23-15(11(9)19)24-14(22)7-5-16-8-4-2-1-3-6(7)8/h1-5,9-12,15-19H,(H,20,21)/t9-,10-,11+,12?,15-/m0/s1",BDNWJTRKUBXAGH,DOVARBIBSA,N,3-Indole carboxylic acid glucuronide,BDNWJTRKUBXAGH-DOVARBIBSA-N
HMDB13192,424.282489012,C24H40O6,C[C@]12CCC3C(C1CCC2[C@H](O)C(O)CCC(O)=O)[C@@H](O)CC1C[C@H](O)CC[C@]31C,"InChI=1S/C24H40O6/c1-23-9-7-14(25)11-13(23)12-19(27)21-15-3-4-17(24(15,2)10-8-16(21)23)22(30)18(26)5-6-20(28)29/h13-19,21-22,25-27,30H,3-12H2,1-2H3,(H,28,29)/t13?,14-,15?,16?,17?,18?,19+,21?,22+,23+,24+/m1/s1",JHBLUEHIRYMJOU,ZSFPCQDKSA,N,"3a,7b,21-Trihydroxy-5b-cholanoic acid",JHBLUEHIRYMJOU-ZSFPCQDKSA-N
HMDB13195,169.089149357,C12H11N,NC1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2",DMVOXQPQNTYEKQ,UHFFFAOYSA,N,4-Aminobiphenyl,DMVOXQPQNTYEKQ-UHFFFAOYSA-N
HMDB13198,184.037173366,C8H8O5,COC1=C(O)C=C(C=C1O)C(O)=O,"InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)",UBXDWYFLYYJQFR,UHFFFAOYSA,N,4-O-Methylgallic acid,UBXDWYFLYYJQFR-UHFFFAOYSA-N
HMDB13199,306.219494826,C19H30O3,C[C@]12CCC3C(CC=C4C[C@H](O)CC[C@]34C)C1C[C@H](O)[C@@H]2O,"InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13?,14?,15?,16+,17+,18+,19+/m1/s1",GUGSXATYPSGVAY,YAUITSCLSA,N,"5-Androstene-3alpha-16b,17b-triol",GUGSXATYPSGVAY-YAUITSCLSA-N
HMDB13200,339.131802031,C16H21NO7,OCCC1=CNC2=C1C=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C2,"InChI=1S/C16H21NO7/c18-4-3-8-6-17-11-2-1-9(5-10(8)11)23-16-15(22)14(21)13(20)12(7-19)24-16/h1-2,5-6,12-22H,3-4,7H2/t12-,13-,14+,15-,16+/m1/s1",MYNVMBICAGQOMG,LJIZCISZSA,N,5-Hydroxytryptophol glucuronide,MYNVMBICAGQOMG-LJIZCISZSA-N
HMDB13202,329.220223107,C17H31NO5,CCCCC(=O)CCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C17H31NO5/c1-5-6-9-14(19)10-7-8-11-17(22)23-15(12-16(20)21)13-18(2,3)4/h15H,5-13H2,1-4H3",DZALQUYFNHIYDL,UHFFFAOYSA,N,6-Keto-decanoylcarnitine,DZALQUYFNHIYDL-UHFFFAOYSA-N
HMDB13204,235.070539179,C9H9N5O3,OC(=O)CCC(=O)NC1=C2NC=NC2=NC=N1,"InChI=1S/C9H9N5O3/c15-5(1-2-6(16)17)14-9-7-8(11-3-10-7)12-4-13-9/h3-4H,1-2H2,(H,16,17)(H2,10,11,12,13,14,15)",PQBHLXAMWLYHTB,UHFFFAOYSA,N,6-Succinoaminopurine,PQBHLXAMWLYHTB-UHFFFAOYSA-N
HMDB13205,313.225308485,C17H31NO4,C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCC=C,"InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h5,15H,1,6-14H2,2-4H3",GOOOCIIXFLVRAG,UHFFFAOYSA,N,9-Decenoylcarnitine,GOOOCIIXFLVRAG-UHFFFAOYSA-N
HMDB13206,256.227654209,C15H30NO2,C[N+](C)(C)CCOC(=O)CCCCCCCC=C,"InChI=1S/C15H30NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5H,1,6-14H2,2-4H3/q+1",MQYYZRFTBFAKRA,UHFFFAOYSA,N,9-Decenoylcholine,MQYYZRFTBFAKRA-UHFFFAOYSA-N
HMDB13207,397.319208869,C23H43NO4,CCCCCC\C=C/CCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(24(2,3)4)19-20-22(25)26/h10-11,21H,5-9,12-20H2,1-4H3/b11-10-/t21-/m0/s1",ZVOMLLYYTWFWOA,XPTLAUCJSA,N,9-Hexadecenoylcarnitine,ZVOMLLYYTWFWOA-XPTLAUCJSA-N
HMDB13208,340.321554593,C21H42NO2,CCCCCC\C=C\CCCCCCCC(=O)OCC[N+](C)(C)C,"InChI=1S/C21H42NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22(2,3)4/h10-11H,5-9,12-20H2,1-4H3/q+1/b11-10+",KZSMYKYPFGHWQV,ZHACJKMWSA,N,9-Hexadecenoylcholine,KZSMYKYPFGHWQV-ZHACJKMWSA-N
HMDB13209,275.126991425,C14H17N3O3,C[C@H](N)C(=O)N[C@@H](CC1=CC2=C(N1)C=CC=C2)C(O)=O,"InChI=1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)7-10-6-9-4-2-3-5-11(9)16-10/h2-6,8,12,16H,7,15H2,1H3,(H,17,18)(H,19,20)/t8-,12-/m0/s1",CBUUWFVFZSZOAK,UFBFGSQYSA,N,Alanyltryptophan,CBUUWFVFZSZOAK-UFBFGSQYSA-N
HMDB13211,158.094294314,C8H14O3,CCCCCCC(=O)C(O)=O,"InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)",GPPUPQFYDYLTIY,UHFFFAOYSA,N,Alpha-Ketooctanoic acid,GPPUPQFYDYLTIY-UHFFFAOYSA-N
HMDB13213,366.337204657,C23H44NO2,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC[N+](C)(C)C,"InChI=1S/C23H44NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)26-22-21-24(2,3)4/h9-10,12-13H,5-8,11,14-22H2,1-4H3/q+1/b10-9-,13-12-",FDCFEKFQGUEBOI,UTJQPWESSA,N,Alpha-Linoleoylcholine,FDCFEKFQGUEBOI-UTJQPWESSA-N
HMDB13219,397.355594375,C24H47NO3,CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C24H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27)28/h2-22H2,1H3,(H,25,26)(H,27,28)",YQPHTLSGFSVOOM,UHFFFAOYSA,N,Behenoylglycine,YQPHTLSGFSVOOM-UHFFFAOYSA-N
HMDB13220,321.069595705,C11H15NO10,OC(=O)CCC(NC(=O)C(O)(CC(O)=O)CC(O)=O)C(O)=O,"InChI=1S/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)",GAQNUGISBQJMKO,UHFFFAOYSA,N,Beta-Citryl-L-glutamic acid,GAQNUGISBQJMKO-UHFFFAOYSA-N
HMDB13221,366.240624198,C21H34O5,C[C@]12CC(=O)C3C(CCC4C[C@@H](O)CC[C@]34C)C1CC[C@@]2(O)C(O)CO,"InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12?,13-,14?,15?,17?,18?,19-,20-,21+/m0/s1",JXCOSKURGJMQSG,YDGYSZIMSA,N,Beta-Cortolone,JXCOSKURGJMQSG-YDGYSZIMSA-N
HMDB13222,131.069476547,C4H9N3O2,NC(=N)NCCC(O)=O,"InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)",KMXXSJLYVJEBHI,UHFFFAOYSA,N,Beta-Guanidinopropionic acid,KMXXSJLYVJEBHI-UHFFFAOYSA-N
HMDB13223,174.149403889,C9H20NO2,CCCC(=O)OCC[N+](C)(C)C,"InChI=1S/C9H20NO2/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1",YRIBGSCJIMXMPJ,UHFFFAOYSA,N,Butyrylcholine,YRIBGSCJIMXMPJ-UHFFFAOYSA-N
HMDB13224,202.180704017,C11H24NO2,CCCCCC(=O)OCC[N+](C)(C)C,"InChI=1S/C11H24NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h5-10H2,1-4H3/q+1",FKJUAGXPCITGLZ,UHFFFAOYSA,N,Caproylcholine,FKJUAGXPCITGLZ-UHFFFAOYSA-N
HMDB13225,230.212004145,C13H28NO2,CCCCCCCC(=O)OCC[N+](C)(C)C,"InChI=1S/C13H28NO2/c1-5-6-7-8-9-10-13(15)16-12-11-14(2,3)4/h5-12H2,1-4H3/q+1",AKYPZHWYYXDGEW,UHFFFAOYSA,N,Capryloylcholine,AKYPZHWYYXDGEW-UHFFFAOYSA-N
HMDB13227,200.104859,C10H16O4,OC(=O)CCC\C=C/CCCC(O)=O,"InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-2H,3-8H2,(H,11,12)(H,13,14)/b2-1-",WAGQZQAZCIOEDU,UPHRSURJSA,N,cis-5-Decenedioic acid,WAGQZQAZCIOEDU-UPHRSURJSA-N
HMDB13228,258.243304273,C15H32NO2,CCCCCCCCCC(=O)OCC[N+](C)(C)C,"InChI=1S/C15H32NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5-14H2,1-4H3/q+1",VZSPWUMYXMBAJB,UHFFFAOYSA,N,Decanoylcholine,VZSPWUMYXMBAJB-UHFFFAOYSA-N
HMDB13230,368.165744696,C19H28O5S,[H][C@@]12CCC3=CC(=O)CC[C@]3(C)C1CC[C@]1(C)[C@H](CCC21)OS(O)(=O)=O,"InChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15?,16?,17-,18-,19-/m0/s1",WAQBISPOEAOCOG,FZPSTPAASA,N,Epitestosterone sulfate,WAQBISPOEAOCOG-FZPSTPAASA-N
HMDB13231,45.057849229,C2H7N,CCN,"InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3",QUSNBJAOOMFDIB,UHFFFAOYSA,N,Ethylamine,QUSNBJAOOMFDIB-UHFFFAOYSA-N
HMDB13232,370.18139476,C19H30O5S,[H][C@]12CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O,"InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14?,15?,16?,18+,19+/m1/s1",ZMITXKRGXGRMKS,ZQSLQREJSA,N,Etiocholanolone sulfate,ZMITXKRGXGRMKS-ZQSLQREJSA-N
HMDB13233,130.02660868,C5H6O4,OC(=O)CCC(=O)C=O,"InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)",YHUFRVYVNKGICT,UHFFFAOYSA,N,Gamma-delta-Dioxovaleric acid,YHUFRVYVNKGICT-UHFFFAOYSA-N
HMDB13238,273.194008357,C14H27NO4,CCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C14H27NO4/c1-5-6-7-8-9-14(18)19-12(10-13(16)17)11-15(2,3)4/h12H,5-11H2,1-4H3",VDPCTFWULDLKHT,UHFFFAOYSA,N,Heptanoylcarnitine,VDPCTFWULDLKHT-UHFFFAOYSA-N
HMDB13239,216.196354081,C12H26NO2,CCCCCCC(=O)OCC[N+](C)(C)C,"InChI=1S/C12H26NO2/c1-5-6-7-8-9-12(14)15-11-10-13(2,3)4/h5-11H2,1-4H3/q+1",XZYNWDWRUDTDCH,UHFFFAOYSA,N,Heptanoylcholine,XZYNWDWRUDTDCH-UHFFFAOYSA-N
HMDB13240,303.121906047,C15H17N3O4,NC(=O)CCC(NC(=O)CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22)",DVJIJAYHBZALOJ,UHFFFAOYSA,N,Indoleacetyl glutamine,DVJIJAYHBZALOJ-UHFFFAOYSA-N
HMDB13243,278.16304258,C15H22N2O3,CC(C)CC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)",KFKWRHQBZQICHA,UHFFFAOYSA,N,Leucyl-phenylalanine,KFKWRHQBZQICHA-UHFFFAOYSA-N
HMDB13244,1797.21939228,C94H178N2O25P2,CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(O)(O)=O,"InChI=1S/C94H178N2O25P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)115-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)119-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)114-83(102)67-61-55-49-43-36-30-24-18-12-6)93(116-79(73-97)90(92)120-122(107,108)109)113-74-80-89(106)91(118-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(94(117-80)121-123(110,111)112)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2/h75-80,87-94,97-99,106H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,107,108,109)(H2,110,111,112)/t75-,76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93-,94-/m1/s1",GZQKNULLWNGMCW,PWQABINMSA,N,Lipid A,GZQKNULLWNGMCW-PWQABINMSA-N
HMDB13245,193.073893223,C10H11NO3,CC1=CC(=CC=C1)C(=O)NCC(O)=O,"InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)",YKAKNMHEIJUKEX,UHFFFAOYSA,N,m-Methylhippuric acid,YKAKNMHEIJUKEX-UHFFFAOYSA-N
HMDB13246,327.277344055,C19H37NO3,CCCCCCCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23/h2-17H2,1H3,(H,20,21)(H,22,23)",AEKJBHKVBQSNGN,UHFFFAOYSA,N,Margaroylglycine,AEKJBHKVBQSNGN-UHFFFAOYSA-N
HMDB13247,222.089208936,C12H14O4,CCCCOC(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)",YZBOVSFWWNVKRJ,UHFFFAOYSA,N,Monobutylphthalate,YZBOVSFWWNVKRJ-UHFFFAOYSA-N
HMDB13248,278.151809192,C16H22O4,CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)",DJDSLBVSSOQSLW,UHFFFAOYSA,N,Monoethylhexyl phthalic acid,DJDSLBVSSOQSLW-UHFFFAOYSA-N
HMDB13250,285.230393863,C16H31NO3,CCCCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)",DYUGTPXLDJQBRB,UHFFFAOYSA,N,Myristoylglycine,DYUGTPXLDJQBRB-UHFFFAOYSA-N
HMDB13253,153.090211989,C7H11N3O,CC(=O)NCCC1=CN=CN1,"InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)",XJWPISBUKWZALE,UHFFFAOYSA,N,N-Acetylhistamine,XJWPISBUKWZALE-UHFFFAOYSA-N
HMDB13267,229.167793607,C12H23NO3,CCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C12H23NO3/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16/h2-10H2,1H3,(H,13,14)(H,15,16)",WRRYZYASRAUROW,UHFFFAOYSA,N,N-Decanoylglycine,WRRYZYASRAUROW-UHFFFAOYSA-N
HMDB13272,257.199093735,C14H27NO3,CCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18)",JWGGSJFIGIGFSQ,UHFFFAOYSA,N,N-Lauroylglycine,JWGGSJFIGIGFSQ-UHFFFAOYSA-N
HMDB13279,215.152143543,C11H21NO3,CCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C11H21NO3/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15)",JXDFEUKNHBHUCP,UHFFFAOYSA,N,N-Nonanoylglycine,JXDFEUKNHBHUCP-UHFFFAOYSA-N
HMDB13286,243.183443671,C13H25NO3,CCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C13H25NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)",HEUQYIQQCNOXOG,UHFFFAOYSA,N,N-Undecanoylglycine,HEUQYIQQCNOXOG-UHFFFAOYSA-N
HMDB13287,174.13682783,C8H18N2O2,CN(C)CCCCC(N)C(O)=O,"InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)",XXEWFEBMSGLYBY,UHFFFAOYSA,N,"Ne,Ne dimethyllysine",XXEWFEBMSGLYBY-UHFFFAOYSA-N
HMDB13288,301.225308485,C16H31NO4,CCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3",MPSPNFAQQQMFLK,UHFFFAOYSA,N,Nonanoylcarnitine,MPSPNFAQQQMFLK-UHFFFAOYSA-N
HMDB13292,193.073893223,C10H11NO3,CC1=CC=C(C=C1)C(=O)NCC(O)=O,"InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)",NRSCPTLHWVWLLH,UHFFFAOYSA,N,p-Methylhippuric acid,NRSCPTLHWVWLLH-UHFFFAOYSA-N
HMDB13297,439.402544567,C27H53NO3,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C27H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)28-25-27(30)31/h2-25H2,1H3,(H,28,29)(H,30,31)",VUYRTQJMRATAFS,UHFFFAOYSA,N,Pentacosanoylglycine,VUYRTQJMRATAFS-UHFFFAOYSA-N
HMDB13299,228.245315646,C15H32O,CCCCCCCCCCCCCCCO,"InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3",REIUXOLGHVXAEO,UHFFFAOYSA,N,Pentadecanol,REIUXOLGHVXAEO-UHFFFAOYSA-N
HMDB13300,299.246043927,C17H33NO3,CCCCCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18-15-17(20)21/h2-15H2,1H3,(H,18,19)(H,20,21)",GFPGAMQTXLSWHM,UHFFFAOYSA,N,Pentadecanoylglycine,GFPGAMQTXLSWHM-UHFFFAOYSA-N
HMDB13302,312.147392516,C18H20N2O3,NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)",GKZIWHRNKRBEOH,UHFFFAOYSA,N,Phenylalanylphenylalanine,GKZIWHRNKRBEOH-UHFFFAOYSA-N
HMDB13303,355.308644183,C21H41NO3,CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(O)=O,"InChI=1S/C21H41NO3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)21(25)22-15-20(23)24/h16-19H,6-15H2,1-5H3,(H,22,25)(H,23,24)",ILSMDNVBZYGMDG,UHFFFAOYSA,N,Pristanoylglycine,ILSMDNVBZYGMDG-UHFFFAOYSA-N
HMDB13305,160.133753825,C8H18NO2,CCC(=O)OCC[N+](C)(C)C,"InChI=1S/C8H18NO2/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1",VVQZRZCFJJZEKN,UHFFFAOYSA,N,Propionylcholine,VVQZRZCFJJZEKN-UHFFFAOYSA-N
HMDB13308,341.292994119,C20H39NO3,CCCCCCCCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h2-18H2,1H3,(H,21,22)(H,23,24)",UEYROBDNFIWNST,UHFFFAOYSA,N,Stearoylglycine,UEYROBDNFIWNST-UHFFFAOYSA-N
HMDB13310,425.386894503,C26H51NO3,CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C26H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(28)27-24-26(29)30/h2-24H2,1H3,(H,27,28)(H,29,30)",ALGJSAHUUYIAIZ,UHFFFAOYSA,N,Tetracosanoylglycine,ALGJSAHUUYIAIZ-UHFFFAOYSA-N
HMDB13311,144.042258744,C6H8O4,OC(=O)CC\C=C\C(O)=O,"InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)/b3-1+",HSBSUGYTMJWPAX,HNQUOIGGSA,N,trans-2-Hexenedioic acid,HSBSUGYTMJWPAX-HNQUOIGGSA-N
HMDB13312,172.073558872,C8H12O4,OC(=O)CCC\C=C\CC(O)=O,"InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1,3H,2,4-6H2,(H,9,10)(H,11,12)/b3-1+",QWWZNXBOJLOHGI,HNQUOIGGSA,N,trans-3-Octenedioic acid,QWWZNXBOJLOHGI-HNQUOIGGSA-N
HMDB13314,411.371244439,C25H49NO3,CCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C25H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)26-23-25(28)29/h2-23H2,1H3,(H,26,27)(H,28,29)",RDUKYODUVJPRLK,UHFFFAOYSA,N,Tricosanoylglycine,RDUKYODUVJPRLK-UHFFFAOYSA-N
HMDB13316,200.214015518,C13H28O,CCCCCCCCCCCCCO,"InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3",XFRVVPUIAFSTFO,UHFFFAOYSA,N,Tridecanol,XFRVVPUIAFSTFO-UHFFFAOYSA-N
HMDB13317,271.214743799,C15H29NO3,CCCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(17)16-13-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19)",BTHNNPTZHGZNAO,UHFFFAOYSA,N,Tridecanoylglycine,BTHNNPTZHGZNAO-UHFFFAOYSA-N
HMDB13318,203.105862053,C11H13N3O,NC(CC1=CNC2=CC=CC=C12)C(N)=O,"InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)",JLSKPBDKNIXMBS,UHFFFAOYSA,N,Tryptophanamide,JLSKPBDKNIXMBS-UHFFFAOYSA-N
HMDB13319,180.089877638,C9H12N2O2,NC(CC1=CC=C(O)C=C1)C(N)=O,"InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)",PQFMNVGMJJMLAE,UHFFFAOYSA,N,Tyrosinamide,PQFMNVGMJJMLAE-UHFFFAOYSA-N
HMDB13321,329.256608613,C18H35NO4,CCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C18H35NO4/c1-5-6-7-8-9-10-11-12-13-18(22)23-16(14-17(20)21)15-19(2,3)4/h16H,5-15H2,1-4H3",FPUYBGZEWPJSDX,UHFFFAOYSA,N,Undecanoylcarnitine,FPUYBGZEWPJSDX-UHFFFAOYSA-N
HMDB13322,272.258954337,C16H34NO2,CCCCCCCCCCC(=O)OCC[N+](C)(C)C,"InChI=1S/C16H34NO2/c1-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17(2,3)4/h5-15H2,1-4H3/q+1",WAKLSXXFSACOOZ,UHFFFAOYSA,N,Undecanoylcholine,WAKLSXXFSACOOZ-UHFFFAOYSA-N
HMDB13324,285.194008357,C15H27NO4,CCCCC\C=C\C(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(16(2,3)4)11-12-14(17)18/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1",YMIVWYONPRZBEJ,LXKVQUBZSA,N,2-Octenoylcarnitine,YMIVWYONPRZBEJ-LXKVQUBZSA-N
HMDB13325,311.209658421,C17H29NO4,CCCCC\C=C/C=C/C(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(18(2,3)4)13-14-16(19)20/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+/t15-/m0/s1",GDMITEPIMYKPHX,USKNYQQNSA,N,"2-trans,4-cis-Decadienoylcarnitine",GDMITEPIMYKPHX-USKNYQQNSA-N
HMDB13326,341.256608613,C19H35NO4,CCCCCCCCCC=CC(=O)O[C@@H](CCC([O-])=O)[N+](C)(C)C,"InChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(20(2,3)4)15-16-18(21)22/h13-14,17H,5-12,15-16H2,1-4H3/t17-/m0/s1",JEOZLTJHDSKQIT,KRWDZBQOSA,N,trans-2-Dodecenoylcarnitine,JEOZLTJHDSKQIT-KRWDZBQOSA-N
HMDB13327,373.246437857,C19H35NO6,C[N+](C)(C)[C@H](CCC([O-])=O)OC(=O)CCCCCCCCCCC(O)=O,"InChI=1S/C19H35NO6/c1-20(2,3)16(14-15-18(23)24)26-19(25)13-11-9-7-5-4-6-8-10-12-17(21)22/h16H,4-15H2,1-3H3,(H-,21,22,23,24)/t16-/m0/s1",VJPIDPQNAYWULC,INIZCTEOSA,N,Dodecanedioylcarnitine,VJPIDPQNAYWULC-INIZCTEOSA-N
HMDB13328,303.168187537,C14H25NO6,C[N+](C)(C)[C@H](CCC([O-])=O)OC(=O)CCCCCC(O)=O,"InChI=1S/C14H25NO6/c1-15(2,3)11(9-10-13(18)19)21-14(20)8-6-4-5-7-12(16)17/h11H,4-10H2,1-3H3,(H-,16,17,18,19)/t11-/m0/s1",AUWRHMAICBSXMC,NSHDSACASA,N,Pimelylcarnitine,AUWRHMAICBSXMC-NSHDSACASA-N
HMDB13329,369.287908741,C21H39NO4,CCCCCCCCCCC\C=C\C(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(22(2,3)4)17-18-20(23)24/h15-16,19H,5-14,17-18H2,1-4H3/b16-15+/t19-/m0/s1",VDPVQRIJJXMKLV,VVLLFNJHSA,N,trans-2-Tetradecenoylcarnitine,VDPVQRIJJXMKLV-VVLLFNJHSA-N
HMDB13330,385.282823363,C21H39NO5,CCCCCCCC\C=C/CC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C21H39NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)17-21(26)27-19(22(2,3)4)15-16-20(24)25/h12-13,18-19,23H,5-11,14-17H2,1-4H3/b13-12-/t18?,19-/m0/s1",BCZXLGKYFZTAJX,JDWANTKOSA,N,3-Hydroxy-cis-5-tetradecenoylcarnitine,BCZXLGKYFZTAJX-JDWANTKOSA-N
HMDB13331,367.272258677,C21H37NO4,CCCCCCCC\C=C\C=C\CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C21H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(22(2,3)4)17-18-20(23)24/h12-15,19H,5-11,16-18H2,1-4H3/b13-12+,15-14+/t19-/m0/s1",HXOGMKPCIDSSKJ,NKBLVAAJSA,N,"3, 5-Tetradecadiencarnitine",HXOGMKPCIDSSKJ-NKBLVAAJSA-N
HMDB13332,383.267173299,C21H37NO5,CCCCCC\C=C\C=C\CC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C21H37NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)17-21(26)27-19(22(2,3)4)15-16-20(24)25/h10-13,18-19,23H,5-9,14-17H2,1-4H3/b11-10+,13-12+/t18?,19-/m0/s1",YLCGQCCCWXNFOA,YAAUQWKMSA,N,"3-Hydroxy-5, 8-tetradecadiencarnitine",YLCGQCCCWXNFOA-YAAUQWKMSA-N
HMDB13333,413.314123491,C23H43NO5,CCCCCC\C=C/CCCCCC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C23H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h10-11,20-21,25H,5-9,12-19H2,1-4H3/b11-10-/t20?,21-/m0/s1",WAGYLURELCUJPG,RPZXQYRRSA,N,3-Hydroxy-9-hexadecenoylcarnitine,WAGYLURELCUJPG-RPZXQYRRSA-N
HMDB13334,395.303558805,C23H41NO4,CCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(24(2,3)4)19-20-22(25)26/h7-8,10-11,21H,5-6,9,12-20H2,1-4H3/b8-7-,11-10-/t21-/m0/s1",AHZCIODFJPNPKS,XBDLETADSA,N,"9,12-Hexadecadienoylcarnitine",AHZCIODFJPNPKS-XBDLETADSA-N
HMDB13335,411.298473427,C23H41NO5,CCC\C=C/C\C=C/CCCCCC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C23H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h7-8,10-11,20-21,25H,5-6,9,12-19H2,1-4H3/b8-7-,11-10-/t20?,21-/m0/s1",CBBAYEUCTOLHMQ,WLXWJKFFSA,N,3-Hydroxyhexadecadienoylcarnitine,CBBAYEUCTOLHMQ-WLXWJKFFSA-N
HMDB13336,415.329773555,C23H45NO5,CCCCCCCCCCCCCC(O)CC(=O)O[C@@H](CCC([O-])=O)[N+](C)(C)C,"InChI=1S/C23H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h20-21,25H,5-19H2,1-4H3/t20?,21-/m0/s1",MHJOYNGEDDXLLU,LBAQZLPGSA,N,3-Hydroxyhexadecanoylcarnitine,MHJOYNGEDDXLLU-LBAQZLPGSA-N
HMDB13337,415.329773555,C23H45NO5,CCCCCCCCCCCCCCC(O)C(=O)O[C@@H](CCC([O-])=O)[N+](C)(C)C,"InChI=1S/C23H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)23(28)29-21(24(2,3)4)18-19-22(26)27/h20-21,25H,5-19H2,1-4H3/t20?,21-/m0/s1",ALAYOLIEZSXQPY,LBAQZLPGSA,N,2-Hydroxyhexadecanoylcarnitine,ALAYOLIEZSXQPY-LBAQZLPGSA-N
HMDB13338,425.350508997,C25H47NO4,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h10-11,23H,5-9,12-22H2,1-4H3/b11-10-/t23-/m0/s1",HITOYGLMAFIRNI,JCKUYFFHSA,N,11Z-Octadecenylcarnitine,HITOYGLMAFIRNI-JCKUYFFHSA-N
HMDB13339,441.345423619,C25H47NO5,CCCCCC\C=C/CCCCCCCC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)21-25(30)31-23(26(2,3)4)19-20-24(28)29/h10-11,22-23,27H,5-9,12-21H2,1-4H3/b11-10-/t22?,23-/m0/s1",DGNPJQDFCXFOEZ,OEPBMOORSA,N,3-Hydroxy-11Z-octadecenoylcarnitine,DGNPJQDFCXFOEZ-OEPBMOORSA-N
HMDB13340,441.345423619,C25H47NO5,CCCCCCCC\C=C/CCCCCC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,"InChI=1S/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)21-25(30)31-23(26(2,3)4)19-20-24(28)29/h12-13,22-23,27H,5-11,14-21H2,1-4H3/b13-12-/t22?,23-/m0/s1",ARMIMRSBKXMKOF,QXZRMERTSA,N,3-Hydroxy-9Z-octadecenoylcarnitine,ARMIMRSBKXMKOF-QXZRMERTSA-N
HMDB13341,691.551590367,C38H78NO7P,[H][C@@](COCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C38H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-38(40)46-37(36-45-47(41,42)44-34-32-39(3,4)5)35-43-33-30-28-26-24-22-19-17-15-13-11-9-7-2/h37H,6-36H2,1-5H3/t37-/m1/s1",BYMZZQJJOHDZOU,DIPNUNPCSA,N,PC(o-14:0/16:0),BYMZZQJJOHDZOU-DIPNUNPCSA-N
HMDB13402,689.535940303,C38H76NO7P,CCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C38H76NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-38(40)46-37(36-45-47(41,42)44-34-32-39(3,4)5)35-43-33-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,37H,6-15,17,19-36H2,1-5H3/b18-16-/t37-/m1/s1",ZCNUNZUDXNSNRZ,WTWBAFHPSA,N,PC(o-14:0/16:1(9Z)),ZCNUNZUDXNSNRZ-WTWBAFHPSA-N
HMDB13403,689.535940303,C38H76NO7P,CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C38H76NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h13,15,37H,6-12,14,16-36H2,1-5H3/b15-13-/t37-/m1/s1",YMBXMIQDISYIFB,IEHWZJNJSA,N,PC(o-16:0/14:1(9Z)),YMBXMIQDISYIFB-IEHWZJNJSA-N
HMDB13404,717.567240431,C40H80NO7P,CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,39H,6-16,18,20-38H2,1-5H3/b19-17-/t39-/m1/s1",HJVQHTGUAIETCQ,VEAYGOGPSA,N,PC(o-16:0/16:1(9Z)),HJVQHTGUAIETCQ-VEAYGOGPSA-N
HMDB13405,747.614190623,C42H86NO7P,[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C42H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/t41-/m1/s1",PXPSGTINXJQLBR,VQJSHJPSSA,N,PC(o-16:0/18:0),PXPSGTINXJQLBR-VQJSHJPSSA-N
HMDB13406,775.645490751,C44H90NO7P,[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C44H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1",QFZSBLJYDQLBAG,VZUYHUTRSA,N,PC(o-16:0/20:0),QFZSBLJYDQLBAG-VZUYHUTRSA-N
HMDB13407,767.582890495,C44H82NO7P,CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,43H,6-7,9,11-13,15,17-19,21,23,26-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-/t43-/m1/s1",SOUZQPFUXRVDGK,KCTKZSJBSA,N,"PC(o-16:0/20:4(8Z,11Z,14Z,17Z))",SOUZQPFUXRVDGK-KCTKZSJBSA-N
HMDB13408,803.676790879,C46H94NO7P,[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C46H94NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/t45-/m1/s1",BIIIEBBIUJYGBZ,WBVITSLISA,N,PC(o-16:0/22:0),BIIIEBBIUJYGBZ-WBVITSLISA-N
HMDB13409,791.582890495,C46H82NO7P,CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,35-33-/t45-/m1/s1",QQQQNYAHSSIZBU,HIQXTUQZSA,N,"PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QQQQNYAHSSIZBU-HIQXTUQZSA-N
HMDB13410,687.520290239,C38H74NO7P,CCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C38H74NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h13,15-16,18,37H,6-12,14,17,19-36H2,1-5H3/b15-13-,18-16-/t37-/m1/s1",SPPSEAUTRSATJZ,LSVLUJLYSA,N,PC(o-16:1(9Z)/14:1(9Z)),SPPSEAUTRSATJZ-LSVLUJLYSA-N
HMDB13411,715.551590367,C40H78NO7P,CCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,39H,6-15,20-38H2,1-5H3/b18-16-,19-17-/t39-/m1/s1",MZDGVRYVGYDNAO,KETLZHFASA,N,PC(o-16:1(9Z)/16:1(9Z)),MZDGVRYVGYDNAO-KETLZHFASA-N
HMDB13412,745.598540559,C42H84NO7P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17,19,41H,6-16,18,20-40H2,1-5H3/b19-17-/t41-/m1/s1",SVSLBZPEDBYFGG,HVLKLTLRSA,N,PC(o-16:1(9Z)/18:0),SVSLBZPEDBYFGG-HVLKLTLRSA-N
HMDB13413,741.567240431,C42H80NO7P,CCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,41H,6-13,15,18,21,23-40H2,1-5H3/b16-14-,19-17-,22-20-/t41-/m1/s1",AXCLECQLCBWNLZ,KZZBVOOISA,N,"PC(o-16:1(9Z)/18:2(9Z,12Z))",AXCLECQLCBWNLZ-KZZBVOOISA-N
HMDB13414,773.629840687,C44H88NO7P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h17,19,43H,6-16,18,20-42H2,1-5H3/b19-17-/t43-/m1/s1",NEMVGIRAGVGOLH,RPBJOJELSA,N,PC(o-16:1(9Z)/20:0),NEMVGIRAGVGOLH-RPBJOJELSA-N
HMDB13415,765.567240431,C44H80NO7P,CCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,29,31,43H,6-13,15,18,21,23,26-28,30,32-42H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,31-29-/t43-/m1/s1",HOTMLHWJOWGLLX,UZKIFIPLSA,N,"PC(o-16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",HOTMLHWJOWGLLX-UZKIFIPLSA-N
HMDB13416,801.661140815,C46H92NO7P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h17,19,45H,6-16,18,20-44H2,1-5H3/b19-17-/t45-/m1/s1",BEBNKXDYOOYGGD,XMGJQEBSSA,N,PC(o-16:1(9Z)/22:0),BEBNKXDYOOYGGD-XMGJQEBSSA-N
HMDB13417,775.645490751,C44H90NO7P,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C44H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1",BKEDGKIMIUGHDV,VZUYHUTRSA,N,PC(o-18:0/18:0),BKEDGKIMIUGHDV-VZUYHUTRSA-N
HMDB13418,771.614190623,C44H86NO7P,CCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,43H,6-14,16,18-20,22,24-42H2,1-5H3/b17-15-,23-21-/t43-/m1/s1",LMGTVCKIUNTOEP,HJTCUGKVSA,N,"PC(o-18:0/18:2(9Z,12Z))",LMGTVCKIUNTOEP-HJTCUGKVSA-N
HMDB13419,803.676790879,C46H94NO7P,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C46H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/t45-/m1/s1",BVCZSMAYNCVQDT,WBVITSLISA,N,PC(o-18:0/20:0),BVCZSMAYNCVQDT-WBVITSLISA-N
HMDB13420,795.614190623,C46H86NO7P,CCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,45H,6-13,15,17-19,21,23-24,26,28-30,32,34-44H2,1-5H3/b16-14-,22-20-,27-25-,33-31-/t45-/m1/s1",GBNPCIWXLWZJGA,IGBSIYCFSA,N,"PC(o-18:0/20:4(8Z,11Z,14Z,17Z))",GBNPCIWXLWZJGA-IGBSIYCFSA-N
HMDB13421,831.708091007,C48H98NO7P,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C48H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h47H,6-46H2,1-5H3/t47-/m1/s1",UWZMUJQZEJOLID,QZNUWAOFSA,N,PC(o-18:0/22:0),UWZMUJQZEJOLID-QZNUWAOFSA-N
HMDB13422,819.614190623,C48H86NO7P,CCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-/t47-/m1/s1",QBZALASVZLFAHF,KYPHJRDXSA,N,"PC(o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QBZALASVZLFAHF-KYPHJRDXSA-N
HMDB13423,859.739391135,C50H102NO7P,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C50H102NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h49H,6-48H2,1-5H3/t49-/m1/s1",ZJMRQFZKFMJBAX,ANFMRNGASA,N,PC(o-18:0/24:0),ZJMRQFZKFMJBAX-ANFMRNGASA-N
HMDB13424,745.598540559,C42H84NO7P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16,18,41H,6-15,17,19-40H2,1-5H3/b18-16-/t41-/m1/s1",QCGUXAIDEOWPBV,SNKLRXETSA,N,PC(o-18:1(11Z)/16:0),QCGUXAIDEOWPBV-SNKLRXETSA-N
HMDB13425,769.598540559,C44H84NO7P,CCCCCC\C=C/CCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,43H,6-14,19-20,22,24-42H2,1-5H3/b17-15-,18-16-,23-21-/t43-/m1/s1",KBRIWDRDGVERBB,VXKJXORPSA,N,"PC(o-18:1(11Z)/18:2(9Z,12Z))",KBRIWDRDGVERBB-VXKJXORPSA-N
HMDB13426,745.598540559,C42H84NO7P,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,41H,6-19,22-40H2,1-5H3/b21-20-/t41-/m1/s1",IQLHTKSHLGLPMG,HFWGUVFESA,N,PC(o-18:1(9Z)/16:0),IQLHTKSHLGLPMG-HFWGUVFESA-N
HMDB13427,773.629840687,C44H88NO7P,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,43H,6-19,21,23-42H2,1-5H3/b22-20-/t43-/m1/s1",KKPRQPUSFKIYMO,GRVDSVFJSA,N,PC(o-18:1(9Z)/18:0),KKPRQPUSFKIYMO-GRVDSVFJSA-N
HMDB13428,771.614190623,C44H86NO7P,CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,43H,6-16,18,21,23-42H2,1-5H3/b19-17-,22-20-/t43-/m1/s1",GSROTDACALJGFK,YIFANWOHSA,N,PC(o-18:1(9Z)/18:1(11Z)),GSROTDACALJGFK-YIFANWOHSA-N
HMDB13429,769.598540559,C44H84NO7P,CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,43H,6-14,16,18-19,24-42H2,1-5H3/b17-15-,22-20-,23-21-/t43-/m1/s1",MFZLAZYUXHHSIA,HVODBARTSA,N,"PC(o-18:1(9Z)/18:2(9Z,12Z))",MFZLAZYUXHHSIA-HVODBARTSA-N
HMDB13430,801.661140815,C46H92NO7P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h21,23,45H,6-20,22,24-44H2,1-5H3/b23-21-/t45-/m1/s1",XKGBWHAITCMFLI,MWGCQCNTSA,N,PC(o-18:1(9Z)/20:0),XKGBWHAITCMFLI-MWGCQCNTSA-N
HMDB13431,799.645490751,C46H90NO7P,CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,45H,6-19,24-44H2,1-5H3/b22-20-,23-21-/t45-/m1/s1",OALUPVKKQYLXOY,OGPXCXTMSA,N,PC(o-18:1(9Z)/20:1(11Z)),OALUPVKKQYLXOY-OGPXCXTMSA-N
HMDB13432,793.598540559,C46H84NO7P,CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,45H,6-13,15,17-19,24,26,28-30,32,34-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-/t45-/m1/s1",VJNPDLZENXBRLB,MQEDXBOASA,N,"PC(o-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",VJNPDLZENXBRLB-MQEDXBOASA-N
HMDB13433,829.692440943,C48H96NO7P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h21,23,47H,6-20,22,24-46H2,1-5H3/b23-21-/t47-/m1/s1",VTSFZGCXFALJSV,FYAZAUILSA,N,PC(o-18:1(9Z)/22:0),VTSFZGCXFALJSV-FYAZAUILSA-N
HMDB13434,857.723741071,C50H100NO7P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h21,23,49H,6-20,22,24-48H2,1-5H3/b23-21-/t49-/m1/s1",BSQIZOZBOXYNEW,WIEGMJJDSA,N,PC(o-18:1(9Z)/24:0),BSQIZOZBOXYNEW-WIEGMJJDSA-N
HMDB13435,767.582890495,C44H82NO7P,CCCCC\C=C/C\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,43H,6-13,18-19,24-42H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t43-/m1/s1",XCCONPVPHCCYNF,KPFPPAHTSA,N,"PC(o-18:2(9Z,12Z)/18:2(9Z,12Z))",XCCONPVPHCCYNF-KPFPPAHTSA-N
HMDB13436,799.645490751,C46H90NO7P,CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,45H,6-14,16,18-20,22,24-44H2,1-5H3/b17-15-,23-21-/t45-/m1/s1",MOCFTDNEKLRJLC,HRGHQQQCSA,N,"PC(o-18:2(9Z,12Z)/20:0)",MOCFTDNEKLRJLC-HRGHQQQCSA-N
HMDB13437,827.676790879,C48H94NO7P,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,47H,6-14,16,18-20,22,24-46H2,1-5H3/b17-15-,23-21-/t47-/m1/s1",DMPIMBNFIDOLGO,DTRJYZOJSA,N,"PC(o-18:2(9Z,12Z)/22:0)",DMPIMBNFIDOLGO-DTRJYZOJSA-N
HMDB13438,855.708091007,C50H98NO7P,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,49H,6-14,16,18-20,22,24-48H2,1-5H3/b17-15-,23-21-/t49-/m1/s1",SJLRNWKFILQPDM,AARZFCJCSA,N,"PC(o-18:2(9Z,12Z)/24:0)",SJLRNWKFILQPDM-AARZFCJCSA-N
HMDB13439,797.629840687,C46H88NO7P,CCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h15,17,21,25,29,31,45H,6-14,16,18-20,22-24,26-28,30,32-44H2,1-5H3/b17-15-,25-21-,31-29-/t45-/m1/s1",XHKFHCCQLHPBPZ,WKDUQDSSSA,N,"PC(o-20:0/18:3(6Z,9Z,12Z))",XHKFHCCQLHPBPZ-WKDUQDSSSA-N
HMDB13440,797.629840687,C46H88NO7P,CCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,25,45H,6-8,10,12-14,16,18-20,22-24,26-44H2,1-5H3/b11-9-,17-15-,25-21-/t45-/m1/s1",APWUUZRAVVATRC,GBRUYZQDSA,N,"PC(o-20:0/18:3(9Z,12Z,15Z))",APWUUZRAVVATRC-GBRUYZQDSA-N
HMDB13441,831.708091007,C48H98NO7P,[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C48H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h47H,6-46H2,1-5H3/t47-/m1/s1",OZQMKPUQMDJPII,QZNUWAOFSA,N,PC(o-20:0/20:0),OZQMKPUQMDJPII-QZNUWAOFSA-N
HMDB13442,823.645490751,C48H90NO7P,CCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,33,35,47H,6-14,16,18-20,22,24-26,28,30-32,34,36-46H2,1-5H3/b17-15-,23-21-,29-27-,35-33-/t47-/m1/s1",RDNHPNJCALITSY,MBZSPAKGSA,N,"PC(o-20:0/20:4(8Z,11Z,14Z,17Z))",RDNHPNJCALITSY-MBZSPAKGSA-N
HMDB13443,859.739391135,C50H102NO7P,[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C50H102NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h49H,6-48H2,1-5H3/t49-/m1/s1",BJUWREINODTBMO,ANFMRNGASA,N,PC(o-20:0/22:0),BJUWREINODTBMO-ANFMRNGASA-N
HMDB13444,821.629840687,C48H88NO7P,CCCCCCCC\C=C/CCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,33,35,47H,6-14,16,18-19,24-26,28,30-32,34,36-46H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,35-33-/t47-/m1/s1",UNAQSIZPRIMCTB,QXUJVPJQSA,N,"PC(o-20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",UNAQSIZPRIMCTB-QXUJVPJQSA-N
HMDB13445,825.661140815,C48H92NO7P,CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h15,17,21,27,31,33,47H,6-14,16,18-20,22-26,28-30,32,34-46H2,1-5H3/b17-15-,27-21-,33-31-/t47-/m1/s1",WEFAHDSLMVUAHQ,GEVWEYGMSA,N,"PC(o-22:0/18:3(6Z,9Z,12Z))",WEFAHDSLMVUAHQ-GEVWEYGMSA-N
HMDB13446,825.661140815,C48H92NO7P,CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,27,47H,6-8,10,12-14,16,18-20,22-26,28-46H2,1-5H3/b11-9-,17-15-,27-21-/t47-/m1/s1",CPEAXNSICHTTDR,BKMBJBKQSA,N,"PC(o-22:0/18:3(9Z,12Z,15Z))",CPEAXNSICHTTDR-BKMBJBKQSA-N
HMDB13447,857.723741071,C50H100NO7P,CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C50H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h21,23,49H,6-20,22,24-48H2,1-5H3/b23-21-/t49-/m1/s1",XKPLZICHJPNOFR,WIEGMJJDSA,N,PC(o-22:0/20:1(11Z)),XKPLZICHJPNOFR-WIEGMJJDSA-N
HMDB13448,851.676790879,C50H94NO7P,CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,29,31,35,37,49H,6-14,16,18-20,22,24-28,30,32-34,36,38-48H2,1-5H3/b17-15-,23-21-,31-29-,37-35-/t49-/m1/s1",PFSAGEUWPWJOBK,QENZFRSWSA,N,"PC(o-22:0/20:4(8Z,11Z,14Z,17Z))",PFSAGEUWPWJOBK-QENZFRSWSA-N
HMDB13449,881.723741071,C52H100NO7P,CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,51H,6-14,16,18-20,22,24-26,28,30-50H2,1-5H3/b17-15-,23-21-,29-27-/t51-/m1/s1",CQBVYLALIKLMGX,TYGMOWAISA,N,"PC(o-22:0/22:3(10Z,13Z,16Z))",CQBVYLALIKLMGX-TYGMOWAISA-N
HMDB13450,875.676790879,C52H94NO7P,CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,33,35,39,41,51H,6-8,10,12-14,16,18-20,22,24-26,28,30-32,34,36-38,40,42-50H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,35-33-,41-39-/t51-/m1/s1",YLLDQHGIGWZVQP,ITBHSSNISA,N,"PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YLLDQHGIGWZVQP-ITBHSSNISA-N
HMDB13451,849.661140815,C50H92NO7P,CCCCCCCC\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,29,31,35,37,49H,6-14,16,18-19,24-28,30,32-34,36,38-48H2,1-5H3/b17-15-,22-20-,23-21-,31-29-,37-35-/t49-/m1/s1",OQRGDDBNUMCNLP,ABEXPZPBSA,N,"PC(o-22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",OQRGDDBNUMCNLP-ABEXPZPBSA-N
HMDB13452,881.723741071,C52H100NO7P,CCCCCCCC\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C52H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,51H,6-14,16,18-19,24-50H2,1-5H3/b17-15-,22-20-,23-21-/t51-/m1/s1",VCODWVLGDPOACA,DRGSQYEJSA,N,"PC(o-22:1(13Z)/22:2(13Z,16Z))",VCODWVLGDPOACA-DRGSQYEJSA-N
HMDB13453,879.708091007,C52H98NO7P,CCCCCCCC\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,51H,6-14,16,18-19,24-26,28,30-50H2,1-5H3/b17-15-,22-20-,23-21-,29-27-/t51-/m1/s1",ADCPDRAGQLKVRI,DFPONBFASA,N,"PC(o-22:1(13Z)/22:3(10Z,13Z,16Z))",ADCPDRAGQLKVRI-DFPONBFASA-N
HMDB13454,851.676790879,C50H94NO7P,CCCCC\C=C/C\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C50H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,49H,6-13,18-19,24-48H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t49-/m1/s1",HPSRKNJYXDLBIH,JBRXIROJSA,N,"PC(o-22:2(13Z,16Z)/20:2(11Z,14Z))",HPSRKNJYXDLBIH-JBRXIROJSA-N
HMDB13455,879.708091007,C52H98NO7P,CCCCC\C=C/C\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C52H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,51H,6-13,18-19,24-50H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t51-/m1/s1",GCAMFMBVIXVYSA,VIVKCUGUSA,N,"PC(o-22:2(13Z,16Z)/22:2(13Z,16Z))",GCAMFMBVIXVYSA-VIVKCUGUSA-N
HMDB13456,877.692440943,C52H96NO7P,CCCCC\C=C/C\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,51H,6-13,18-19,24-26,28,30-50H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-/t51-/m1/s1",CEZAZXUWDFPTTE,FHIJIHMSSA,N,"PC(o-22:2(13Z,16Z)/22:3(10Z,13Z,16Z))",CEZAZXUWDFPTTE-FHIJIHMSSA-N
HMDB13457,875.676790879,C52H94NO7P,CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,51H,6-13,18-19,24-25,30-50H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t51-/m1/s1",QZMFOSCFDWPISC,KQHSIIGPSA,N,"PC(o-22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))",QZMFOSCFDWPISC-KQHSIIGPSA-N
HMDB13458,853.692440943,C50H96NO7P,CCCCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-21-19-17-15-13-11-9-7-2/h15,17,21,29,33,35,49H,6-14,16,18-20,22-28,30-32,34,36-48H2,1-5H3/b17-15-,29-21-,35-33-/t49-/m1/s1",LDFITNYTODJQBW,AQBSXLNYSA,N,"PC(o-24:0/18:3(6Z,9Z,12Z))",LDFITNYTODJQBW-AQBSXLNYSA-N
HMDB13459,853.692440943,C50H96NO7P,CCCCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,29,49H,6-8,10,12-14,16,18-20,22-28,30-48H2,1-5H3/b11-9-,17-15-,29-21-/t49-/m1/s1",NIIFWBWRLRQUHB,LSTCNRAPSA,N,"PC(o-24:0/18:3(9Z,12Z,15Z))",NIIFWBWRLRQUHB-LSTCNRAPSA-N
HMDB13460,879.708091007,C52H98NO7P,CCCCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,31,33,37,39,51H,6-14,16,18-20,22,24-30,32,34-36,38,40-50H2,1-5H3/b17-15-,23-21-,33-31-,39-37-/t51-/m1/s1",AQJDGYZOTXPNFY,ZFRXABNDSA,N,"PC(o-24:0/20:4(8Z,11Z,14Z,17Z))",AQJDGYZOTXPNFY-ZFRXABNDSA-N
HMDB13461,840.708425358,C49H97N2O6P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h20-21,40,42,47-48,52H,6-19,22-39,41,43-46H2,1-5H3,(H-,50,53,54,55)/b21-20-,42-40+/t47-,48+/m0/s1",YXEXWUZHFGYOHJ,UOJCCMJYSA,N,SM(d18:0/26:1(17Z)),YXEXWUZHFGYOHJ-UOJCCMJYSA-N
HMDB13462,688.515539212,C37H73N2O7P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCC\C=C/CCCC,"InChI=1S/C37H73N2O7P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-36(41)35(33-46-47(43,44)45-31-30-39(3,4)5)38-37(42)32-34(40)28-26-24-22-20-15-13-11-9-7-2/h13,15,27,29,34-36,40-41H,6-12,14,16-26,28,30-33H2,1-5H3,(H-,38,42,43,44)/b15-13-,29-27+/t34?,35-,36+/m0/s1",ZNHNJXWKKQKMBU,POWUNZFVSA,N,SM(d18:0/14:1(9Z)(OH)),ZNHNJXWKKQKMBU-POWUNZFVSA-N
HMDB13463,716.54683934,C39H77N2O7P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCC\C=C/CCCCCC,"InChI=1S/C39H77N2O7P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(43)37(35-48-49(45,46)47-33-32-41(3,4)5)40-39(44)34-36(42)30-28-26-24-22-20-17-15-13-11-9-7-2/h17,20,29,31,36-38,42-43H,6-16,18-19,21-28,30,32-35H2,1-5H3,(H-,40,44,45,46)/b20-17-,31-29+/t36?,37-,38+/m0/s1",LPHMSPONPQCKTL,FKUNDBCPSA,N,SM(d18:0/16:1(9Z)(OH)),LPHMSPONPQCKTL-FKUNDBCPSA-N
HMDB13464,702.567574782,C39H79N2O6P,CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,37-38,42H,6-16,18,20-36H2,1-5H3,(H-,40,43,44,45)/b19-17-/t37-,38+/m0/s1",CGVOQSQIYSUXAT,PPLFXBRHSA,N,SM(d18:0/16:1(9Z)),CGVOQSQIYSUXAT-PPLFXBRHSA-N
HMDB13465,754.59887491,C43H83N2O6P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H83N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,34,36,41-42,46H,6-13,15,17-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b16-14-,21-20-,36-34+/t41-,42+/m0/s1",YVTVVJRJLRHYSJ,XJRFMCMQSA,N,"SM(d18:0/20:2(11Z,14Z))",YVTVVJRJLRHYSJ-XJRFMCMQSA-N
HMDB13466,800.640739724,C45H89N2O7P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H89N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-42(48)40-45(50)46-43(41-54-55(51,52)53-39-38-47(3,4)5)44(49)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h20-21,35,37,42-44,48-49H,6-19,22-34,36,38-41H2,1-5H3,(H-,46,50,51,52)/b21-20-,37-35+/t42?,43-,44+/m0/s1",ZUSFLIGNJFDBRL,FYGIKZFGSA,N,SM(d18:0/22:1(13Z)(OH)),ZUSFLIGNJFDBRL-FYGIKZFGSA-N
HMDB13467,798.62508966,C45H87N2O7P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H87N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-42(48)40-45(50)46-43(41-54-55(51,52)53-39-38-47(3,4)5)44(49)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,35,37,42-44,48-49H,6-13,15,17-19,22-34,36,38-41H2,1-5H3,(H-,46,50,51,52)/b16-14-,21-20-,37-35+/t42?,43-,44+/m0/s1",DRKCMBAZIYFIGX,ZWLRGCNFSA,N,"SM(d18:0/22:2(13Z,16Z)(OH))",DRKCMBAZIYFIGX-ZWLRGCNFSA-N
HMDB13468,780.614524974,C45H85N2O6P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,36,38,43-44,48H,6-13,15,17-19,22,25-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b16-14-,21-20-,24-23-,38-36+/t43-,44+/m0/s1",YTQGMICAWXIKQI,OIMFMVRSSA,N,"SM(d18:0/22:3(10Z,13Z,16Z))",YTQGMICAWXIKQI-OIMFMVRSSA-N
HMDB13469,828.672039852,C47H93N2O7P,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H93N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-44(50)42-47(52)48-45(43-56-57(53,54)55-41-40-49(3,4)5)46(51)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h20-21,37,39,44-46,50-51H,6-19,22-36,38,40-43H2,1-5H3,(H-,48,52,53,54)/b21-20-,39-37+/t44?,45-,46+/m0/s1",IOOMOQUTKQGEFH,BSZNTFKYSA,N,SM(d18:0/24:1(15Z)(OH)),IOOMOQUTKQGEFH-BSZNTFKYSA-N
HMDB13470,5224.168615516,C211H376N8O126P6,CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O[C@@]4(C[C@@H](OP(O)(=O)OCCN)[C@H](O)[C@H](O4)[C@@H](O)CO)C(O)=O)[C@H](O)[C@H](O3)[C@@H](O)CO)C(O)=O)[C@H](OC3O[C@H]([C@@H](O)CO)[C@@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](OC4O[C@H]([C@@H](O)COC5O[C@H]([C@@H](O)CO)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](OC5O[C@H](CO[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6OC6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8NC(C)=O)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO[C@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H](O)[C@H]9O)[C@H]8NC(C)=O)[C@H]7NC(C)=O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O2)[C@@H](O)CO)C(O)=O)[C@H]1OP(O)(O)=O,"InChI=1S/C211H376N8O126P6/c1-11-17-23-29-35-41-42-48-54-60-66-72-134(247)308-109(70-64-58-52-46-39-33-27-21-15-5)80-136(249)322-182-142(219-132(245)79-108(69-63-57-51-45-38-32-26-20-14-4)307-133(246)71-65-59-53-47-40-34-28-22-16-6)192(301-99-128-153(260)179(321-135(248)78-107(237)68-62-56-50-44-37-31-25-19-13-3)141(196(317-128)344-348(290,291)292)218-131(244)77-106(236)67-61-55-49-43-36-30-24-18-12-2)320-130(178(182)341-346(284,285)286)101-304-209(206(278)279)83-118(336-210(207(280)281)81-116(149(256)172(337-210)110(238)84-220)335-211(208(282)283)82-117(340-349(293,294)305-75-73-212)150(257)173(338-211)111(239)85-221)177(176(339-209)114(242)88-224)326-203-170(277)186(189(175(325-203)113(241)87-223)343-351(297,298)345-350(295,296)306-76-74-213)332-202-169(276)184(167(274)171(323-202)115(243)96-299-199-166(273)162(269)187(342-347(287,288)289)174(324-199)112(240)86-222)329-201-168(275)183(155(262)129(319-201)100-303-198-164(271)159(266)146(253)122(92-228)313-198)330-204-188(161(268)147(254)123(93-229)314-204)333-205-190(334-193-138(215-103(8)233)157(264)144(251)120(90-226)310-193)185(152(259)125(95-231)315-205)331-195-140(217-105(10)235)181(154(261)127(316-195)98-300-191-137(214-102(7)232)156(263)143(250)119(89-225)309-191)327-194-139(216-104(9)234)180(151(258)124(94-230)311-194)328-200-165(272)160(267)148(255)126(318-200)97-302-197-163(270)158(265)145(252)121(91-227)312-197/h106-130,137-205,220-231,236-243,250-277H,11-101,212-213H2,1-10H3,(H,214,232)(H,215,233)(H,216,234)(H,217,235)(H,218,244)(H,219,245)(H,278,279)(H,280,281)(H,282,283)(H,293,294)(H,295,296)(H,297,298)(H2,284,285,286)(H2,287,288,289)(H2,290,291,292)/t106-,107-,108-,109-,110+,111+,112+,113+,114+,115+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,137-,138-,139-,140-,141-,142-,143-,144-,145+,146+,147+,148+,149+,150+,151+,152-,153-,154+,155-,156-,157-,158+,159+,160+,161+,162-,163-,164-,165-,166+,167-,168-,169+,170+,171-,172-,173-,174-,175-,176-,177+,178-,179-,180-,181-,182-,183+,184+,185+,186-,187+,188-,189-,190-,191-,192-,193+,194+,195+,196-,197+,198+,199?,200-,201?,202?,203?,204-,205?,209-,210-,211-/m1/s1",BFVQTKQTUCQRPI,YYEZTRBPSA,N,LPS with O-antigen,BFVQTKQTUCQRPI-YYEZTRBPSA-N
HMDB13471,4290.824851063,C175H317N5O101P6,CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O[C@@]4(C[C@@H](OP(O)(=O)OCCN)[C@H](O)[C@H](O4)[C@@H](O)CO)C(O)=O)[C@H](O)[C@H](O3)[C@@H](O)CO)C(O)=O)[C@H](OC3O[C@H]([C@@H](O)CO)[C@@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](OC4O[C@H]([C@@H](O)COC5O[C@H]([C@@H](O)CO)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](OC5O[C@H](CO[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6OC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O2)[C@@H](O)CO)C(O)=O)[C@H]1OP(O)(O)=O,"InChI=1S/C175H317N5O101P6/c1-8-14-20-26-32-38-39-45-51-57-63-69-118(202)252-98(67-61-55-49-43-36-30-24-18-12-5)77-120(204)261-152-123(180-116(200)76-97(66-60-54-48-42-35-29-23-17-11-4)251-117(201)68-62-56-50-44-37-31-25-19-13-6)160(246-91-112-130(211)151(260-119(203)75-96(192)65-59-53-47-41-34-28-22-16-10-3)122(162(257-112)280-284(236,237)238)179-115(199)74-95(191)64-58-52-46-40-33-27-21-15-9-2)259-114(150(152)277-282(230,231)232)93-248-173(170(224)225)80-107(272-174(171(226)227)78-105(128(209)144(273-174)99(193)81-181)271-175(172(228)229)79-106(276-285(239,240)249-72-70-176)129(210)145(274-175)100(194)82-182)149(148(275-173)103(197)85-185)265-167-142(223)155(159(147(264-167)102(196)84-184)279-287(243,244)281-286(241,242)250-73-71-177)268-166-141(222)154(139(220)143(262-166)104(198)90-245-164-138(219)136(217)156(278-283(233,234)235)146(263-164)101(195)83-183)266-165-140(221)153(131(212)113(258-165)92-247-163-137(218)133(214)125(206)109(87-187)254-163)267-168-158(135(216)127(208)110(88-188)255-168)270-169-157(134(215)126(207)111(89-189)256-169)269-161-121(178-94(7)190)132(213)124(205)108(86-186)253-161/h95-114,121-169,181-189,191-198,205-223H,8-93,176-177H2,1-7H3,(H,178,190)(H,179,199)(H,180,200)(H,224,225)(H,226,227)(H,228,229)(H,239,240)(H,241,242)(H,243,244)(H2,230,231,232)(H2,233,234,235)(H2,236,237,238)/t95-,96-,97-,98-,99+,100+,101+,102+,103+,104+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,121-,122-,123-,124-,125+,126-,127+,128+,129+,130-,131-,132-,133+,134+,135+,136-,137-,138+,139-,140-,141+,142+,143-,144-,145-,146-,147-,148-,149+,150-,151-,152-,153+,154+,155-,156+,157-,158-,159-,160-,161+,162-,163+,164?,165?,166?,167?,168-,169?,173-,174-,175-/m1/s1",AAXCQFOXUJMCCW,PETQGJDISA,N,LPS core,AAXCQFOXUJMCCW-PETQGJDISA-N
HMDB13472,802.476116503,C38H76O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C38H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39H,3-34H2,1-2H3,(H,45,46)(H2,42,43,44)/t35-,36+/m0/s1",ONJBJMDJKLHMEK,MPQUPPDSSA,N,PGP(16:0/16:0),ONJBJMDJKLHMEK-MPQUPPDSSA-N
HMDB13473,800.460466439,C38H74O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C38H74O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35-36,39H,3-13,15,17-34H2,1-2H3,(H,45,46)(H2,42,43,44)/b16-14-/t35-,36+/m0/s1",RCAKEXBGCGLMOX,DCQLZOMZSA,N,PGP(16:0/16:1(9Z)),RCAKEXBGCGLMOX-DCQLZOMZSA-N
HMDB13474,830.507416632,C40H80O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C40H80O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41H,3-36H2,1-2H3,(H,47,48)(H2,44,45,46)/t37-,38+/m0/s1",MLFQGWUBXMEBIG,QPPIDDCLSA,N,PGP(16:0/18:0),MLFQGWUBXMEBIG-QPPIDDCLSA-N
HMDB13475,828.491766568,C40H78O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41H,3-12,14,16-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b15-13-/t37-,38+/m0/s1",BMNRKKFJIDDAOJ,GPJPVTGXSA,N,PGP(16:0/18:1(11Z)),BMNRKKFJIDDAOJ-GPJPVTGXSA-N
HMDB13476,828.491766568,C40H78O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1",BKRKPWQBIFVASS,HGWHEPCSSA,N,PGP(16:0/18:1(9Z)),BKRKPWQBIFVASS-HGWHEPCSSA-N
HMDB13477,826.476115542,C40H76O13P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41H,3-10,12,14-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b13-11-,18-17-/t37-,38+/m0/s1",LWWCIHFWPVLJCA,WLGRLVTESA,N,"PGP(16:0/18:2(9Z,12Z))",LWWCIHFWPVLJCA-WLGRLVTESA-N
HMDB13478,824.460465478,C40H74O13P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C40H74O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37-38,41H,3-10,12,14-16,19-21,23,25-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b13-11-,18-17-,24-22-/t37-,38+/m0/s1",LWZSKDVJRDCEQE,UIWSMAGISA,N,"PGP(16:0/18:3(6Z,9Z,12Z))",LWZSKDVJRDCEQE-UIWSMAGISA-N
HMDB13479,824.460465478,C40H74O13P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C40H74O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37-38,41H,3-4,6,8-10,12,14-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b7-5-,13-11-,18-17-/t37-,38+/m0/s1",LBTORUFGMKTUEK,FTZNWAQRSA,N,"PGP(16:0/18:3(9Z,12Z,15Z))",LBTORUFGMKTUEK-FTZNWAQRSA-N
HMDB13480,852.491765606,C42H78O13P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,26,28,39-40,43H,3-16,19,21,23-25,27,29-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b18-17-,22-20-,28-26-/t39-,40+/m0/s1",CXWVLACISIBSHX,PSQQFKKASA,N,"PGP(16:0/20:3(5Z,8Z,11Z))",CXWVLACISIBSHX-PSQQFKKASA-N
HMDB13481,852.491765606,C42H78O13P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,39-40,43H,3-10,12,14-16,19,21,23-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,18-17-,22-20-/t39-,40+/m0/s1",OFOWZJMRNRECQR,WQQWEMLQSA,N,"PGP(16:0/20:3(8Z,11Z,14Z))",OFOWZJMRNRECQR-WQQWEMLQSA-N
HMDB13482,850.476115542,C42H76O13P2,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,39-40,43H,3-10,12,14-16,19,21,23-25,27,29-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,18-17-,22-20-,28-26-/t39-,40+/m0/s1",DPHOYXSTTLCECY,NYWCEQGFSA,N,"PGP(16:0/20:4(5Z,8Z,11Z,14Z))",DPHOYXSTTLCECY-NYWCEQGFSA-N
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HMDB13497,848.460465478,C42H74O13P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H74O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,26,28,39-40,43H,3-10,12,15,19,21,23-25,27,29-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,16-14-,18-17-,22-20-,28-26-/t39-,40+/m0/s1",NTQLGVPKRSFHIQ,JHDARNQCSA,N,"PGP(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",NTQLGVPKRSFHIQ-JHDARNQCSA-N
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HMDB13499,874.476115542,C44H76O13P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,30,32,41-42,45H,3-10,12,15,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1",AQVLPNBJDCGTQQ,MZAXSNJMSA,N,"PGP(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AQVLPNBJDCGTQQ-MZAXSNJMSA-N
HMDB13500,874.476115542,C44H76O13P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,41-42,45H,3-4,6,8-10,12,15,19,22-23,25,27-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-/t41-,42+/m0/s1",LLBGUTSRDUHNBR,CJUAJECJSA,N,"PGP(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LLBGUTSRDUHNBR-CJUAJECJSA-N
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HMDB13502,830.507416632,C40H80O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C40H80O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h37-38,41H,3-36H2,1-2H3,(H,47,48)(H2,44,45,46)/t37-,38+/m0/s1",XHQRSMDNNVZHKZ,QPPIDDCLSA,N,PGP(18:0/16:0),XHQRSMDNNVZHKZ-QPPIDDCLSA-N
HMDB13503,828.491765606,C40H78O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,37-38,41H,3-13,15,17-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b16-14-/t37-,38+/m0/s1",QGNFXTQEIITQFL,QCMQKWBUSA,N,PGP(18:0/16:1(9Z)),QGNFXTQEIITQFL-QCMQKWBUSA-N
HMDB13504,858.538716761,C42H84O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C42H84O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40,43H,3-38H2,1-2H3,(H,49,50)(H2,46,47,48)/t39-,40+/m0/s1",UZNYMWWMHBZMLI,IOLBBIBUSA,N,PGP(18:0/18:0),UZNYMWWMHBZMLI-IOLBBIBUSA-N
HMDB13505,856.523065734,C42H82O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C42H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,39-40,43H,3-13,15,17-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b16-14-/t39-,40+/m0/s1",YATWIYWYMGEZHA,KBTQSRGQSA,N,PGP(18:0/18:1(11Z)),YATWIYWYMGEZHA-KBTQSRGQSA-N
HMDB13506,856.523066696,C42H82O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43H,3-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b20-18-/t39-,40+/m0/s1",BMZNSWFWGALIKJ,QIJYXWHJSA,N,PGP(18:0/18:1(9Z)),BMZNSWFWGALIKJ-QIJYXWHJSA-N
HMDB13507,854.50741567,C42H80O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,39-40,43H,3-11,13,15-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,20-18-/t39-,40+/m0/s1",BEGQHSCGKQAIAS,KKUBIFFLSA,N,"PGP(18:0/18:2(9Z,12Z))",BEGQHSCGKQAIAS-KKUBIFFLSA-N
HMDB13508,852.491765606,C42H78O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,39-40,43H,3-11,13,15-17,19,21-23,25,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,20-18-,26-24-/t39-,40+/m0/s1",RWWHGWAGIKRTIZ,MUJLYBRFSA,N,"PGP(18:0/18:3(6Z,9Z,12Z))",RWWHGWAGIKRTIZ-MUJLYBRFSA-N
HMDB13509,852.491765606,C42H78O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,39-40,43H,3-5,7,9-11,13,15-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b8-6-,14-12-,20-18-/t39-,40+/m0/s1",UREAXWRGANGTBR,MWIPVWBPSA,N,"PGP(18:0/18:3(9Z,12Z,15Z))",UREAXWRGANGTBR-MWIPVWBPSA-N
HMDB13510,880.523065734,C44H82O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C44H82O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,41-42,45H,3-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b19-17-,24-22-,30-28-/t41-,42+/m0/s1",WNLURAQNJNSLHJ,JKLLYNSPSA,N,"PGP(18:0/20:3(5Z,8Z,11Z))",WNLURAQNJNSLHJ-JKLLYNSPSA-N
HMDB13511,880.523065734,C44H82O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H82O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,41-42,45H,3-10,12,14-16,18,20-21,23,25-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,19-17-,24-22-/t41-,42+/m0/s1",CMIZWXSJHQJGCC,MNQIWUGTSA,N,"PGP(18:0/20:3(8Z,11Z,14Z))",CMIZWXSJHQJGCC-MNQIWUGTSA-N
HMDB13512,878.50741567,C44H80O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41-42,45H,3-10,12,14-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,19-17-,24-22-,30-28-/t41-,42+/m0/s1",RMHBMXNEPLYWBK,QPQYMHNXSA,N,"PGP(18:0/20:4(5Z,8Z,11Z,14Z))",RMHBMXNEPLYWBK-QPQYMHNXSA-N
HMDB13513,906.538715798,C46H84O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H84O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,43-44,47H,3-10,12,14-16,18,20,23-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,19-17-,22-21-,28-26-/t43-,44+/m0/s1",VGKFEFMDFHKEHA,RKHXCIBKSA,N,"PGP(18:0/22:4(7Z,10Z,13Z,16Z))",VGKFEFMDFHKEHA-RKHXCIBKSA-N
HMDB13514,904.523065734,C46H82O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H82O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,43-44,47H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1",IUAJYEYWYJINHM,NITOSIMZSA,N,"PGP(18:0/22:5(4Z,7Z,10Z,13Z,16Z))",IUAJYEYWYJINHM-NITOSIMZSA-N
HMDB13515,904.523065734,C46H82O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H82O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,43-44,47H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,19-17-,22-21-,28-26-/t43-,44+/m0/s1",BNISAWZRLIKREH,IFCQHGPPSA,N,"PGP(18:0/22:5(7Z,10Z,13Z,16Z,19Z))",BNISAWZRLIKREH-IFCQHGPPSA-N
HMDB13516,902.50741567,C46H80O13P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43-44,47H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1",AHTIFHAWZOGZIQ,JBZBJAAJSA,N,"PGP(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AHTIFHAWZOGZIQ-JBZBJAAJSA-N
HMDB13517,828.491765606,C40H78O13P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O,"InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,37-38,41H,3-12,14,16-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b15-13-/t37-,38+/m0/s1",YVCWXDYDUQYXEO,GPJPVTGXSA,N,PGP(18:1(11Z)/16:0),YVCWXDYDUQYXEO-GPJPVTGXSA-N
HMDB13518,826.476115542,C40H76O13P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13-16,37-38,41H,3-12,17-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b15-13-,16-14-/t37-,38+/m0/s1",SYBAZHBYRWUAOG,GFJSAGKOSA,N,PGP(18:1(11Z)/16:1(9Z)),SYBAZHBYRWUAOG-GFJSAGKOSA-N
HMDB13519,856.523065734,C42H82O13P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O,"InChI=1S/C42H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,39-40,43H,3-12,14,16-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b15-13-/t39-,40+/m0/s1",DYONCWMMYJGWET,KZUSSCLUSA,N,PGP(18:1(11Z)/18:0),DYONCWMMYJGWET-KZUSSCLUSA-N
HMDB13520,854.507416632,C42H80O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39-40,43H,3-12,17-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b15-13-,16-14-/t39-,40+/m0/s1",JUWFWNRVCXDDFB,HKFASTTNSA,N,PGP(18:1(11Z)/18:1(11Z)),JUWFWNRVCXDDFB-HKFASTTNSA-N
HMDB13521,854.50741567,C42H80O13P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O,"InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,39-40,43H,3-12,14,16-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b15-13-,20-18-/t39-,40+/m0/s1",FWPPKNNEAMDSHQ,ZRXIRQNBSA,N,PGP(18:1(11Z)/18:1(9Z)),FWPPKNNEAMDSHQ-ZRXIRQNBSA-N
HMDB13522,852.491765606,C42H78O13P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,39-40,43H,3-11,16-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,15-13-,20-18-/t39-,40+/m0/s1",KXNDXPNFUNCZCH,YRUDZPEDSA,N,"PGP(18:1(11Z)/18:2(9Z,12Z))",KXNDXPNFUNCZCH-YRUDZPEDSA-N
HMDB13523,850.476115542,C42H76O13P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,39-40,43H,3-11,16-17,19,21-23,25,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,15-13-,20-18-,26-24-/t39-,40+/m0/s1",LLCJUQDDGDERCH,FJNFSWOHSA,N,"PGP(18:1(11Z)/18:3(6Z,9Z,12Z))",LLCJUQDDGDERCH-FJNFSWOHSA-N
HMDB13524,850.476115542,C42H76O13P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,39-40,43H,3-5,7,9-11,16-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b8-6-,14-12-,15-13-,20-18-/t39-,40+/m0/s1",UPNQEJKFQCTGTN,KEXKQFALSA,N,"PGP(18:1(11Z)/18:3(9Z,12Z,15Z))",UPNQEJKFQCTGTN-KEXKQFALSA-N
HMDB13525,878.50741567,C44H80O13P2,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O,"InChI=1S/C44H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,41-42,45H,3-13,15,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b16-14-,19-17-,24-22-,30-28-/t41-,42+/m0/s1",LFQJVKDJRLVVSG,XNROCPBCSA,N,"PGP(18:1(11Z)/20:3(5Z,8Z,11Z))",LFQJVKDJRLVVSG-XNROCPBCSA-N
HMDB13526,878.50741567,C44H80O13P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,41-42,45H,3-10,12,15,18,20-21,23,25-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,16-14-,19-17-,24-22-/t41-,42+/m0/s1",ZOPLIRKUEGCDRJ,ZYJQSYMOSA,N,"PGP(18:1(11Z)/20:3(8Z,11Z,14Z))",ZOPLIRKUEGCDRJ-ZYJQSYMOSA-N
HMDB13527,876.491765606,C44H78O13P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C44H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,41-42,45H,3-10,12,15,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,16-14-,19-17-,24-22-,30-28-/t41-,42+/m0/s1",YNPFXNKKTUAYEG,FKNVVCOASA,N,"PGP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",YNPFXNKKTUAYEG-FKNVVCOASA-N
HMDB13528,904.523065734,C46H82O13P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H82O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,43-44,47H,3-10,12,15,18,20,23-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,16-14-,19-17-,22-21-,28-26-/t43-,44+/m0/s1",VSBANTSQXZKJOU,ADJDFPOESA,N,"PGP(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",VSBANTSQXZKJOU-ADJDFPOESA-N
HMDB13529,902.50741567,C46H80O13P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,32,34,43-44,47H,3-10,12,15,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1",GZTZMYPLHAFQNJ,SSGVCTBFSA,N,"PGP(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GZTZMYPLHAFQNJ-SSGVCTBFSA-N
HMDB13530,902.50741567,C46H80O13P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,43-44,47H,3-4,6,8-10,12,15,18,20,23-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-/t43-,44+/m0/s1",IHXGRGXYRVJJEV,NLRUETAPSA,N,"PGP(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IHXGRGXYRVJJEV-NLRUETAPSA-N
HMDB13531,900.491765606,C46H78O13P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,43-44,47H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1",TTWPJODCQPXFAO,SMHLWGDZSA,N,"PGP(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",TTWPJODCQPXFAO-SMHLWGDZSA-N
HMDB13532,828.491766568,C40H78O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1",WQMDYQSTTXRXLQ,HGWHEPCSSA,N,PGP(18:1(9Z)/16:0),WQMDYQSTTXRXLQ-HGWHEPCSSA-N
HMDB13533,826.476116503,C40H76O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41H,3-13,15,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b16-14-,18-17-/t37-,38+/m0/s1",VQWKGJJOWRWELC,GDNUZSQHSA,N,PGP(18:1(9Z)/16:1(9Z)),VQWKGJJOWRWELC-GDNUZSQHSA-N
HMDB13534,856.523065734,C42H82O13P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O,"InChI=1S/C42H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,39-40,43H,3-16,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b19-17-/t39-,40+/m0/s1",WHBJDPWKSQAFDI,INSSKLQOSA,N,PGP(18:1(9Z)/18:0),WHBJDPWKSQAFDI-INSSKLQOSA-N
HMDB13535,854.50741567,C42H80O13P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,39-40,43H,3-13,15,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b16-14-,19-17-/t39-,40+/m0/s1",HGTCUZQDUITQOP,MYVKIHSOSA,N,PGP(18:1(9Z)/18:1(11Z)),HGTCUZQDUITQOP-MYVKIHSOSA-N
HMDB13536,854.507416632,C42H80O13P2,[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40,43H,3-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b19-17-,20-18-/t39-,40+/m0/s1",FRKGQUQUVYQCIV,SQYFZQSCSA,N,PGP(18:1(9Z)/18:1(9Z)),FRKGQUQUVYQCIV-SQYFZQSCSA-N
HMDB13537,852.491765606,C42H78O13P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,39-40,43H,3-11,13,15-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,19-17-,20-18-/t39-,40+/m0/s1",SRDGDEIEVPTVMC,MODZKLJDSA,N,"PGP(18:1(9Z)/18:2(9Z,12Z))",SRDGDEIEVPTVMC-MODZKLJDSA-N
HMDB13538,850.476115542,C42H76O13P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,39-40,43H,3-11,13,15-16,21-23,25,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1",GZKLQKRKAHHASI,MNHFJEBCSA,N,"PGP(18:1(9Z)/18:3(6Z,9Z,12Z))",GZKLQKRKAHHASI-MNHFJEBCSA-N
HMDB13539,850.476115542,C42H76O13P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,39-40,43H,3-5,7,9-11,13,15-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b8-6-,14-12-,19-17-,20-18-/t39-,40+/m0/s1",XPIYGMWTYQZICC,SILBTBCMSA,N,"PGP(18:1(9Z)/18:3(9Z,12Z,15Z))",XPIYGMWTYQZICC-SILBTBCMSA-N
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HMDB13577,824.460465478,C40H74O13P2,CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C40H74O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37-38,41H,3-4,6,8-10,12,14-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b7-5-,13-11-,18-17-/t37-,38+/m0/s1",DXTYHNGFPZJUHO,FTZNWAQRSA,N,"PGP(18:3(9Z,12Z,15Z)/16:0)",DXTYHNGFPZJUHO-FTZNWAQRSA-N
HMDB13578,822.444815414,C40H72O13P2,CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C40H72O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,37-38,41H,3-4,6,8-10,12,15,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b7-5-,13-11-,16-14-,18-17-/t37-,38+/m0/s1",LCYRMJJWUBDAOB,NJXCWUJZSA,N,"PGP(18:3(9Z,12Z,15Z)/16:1(9Z))",LCYRMJJWUBDAOB-NJXCWUJZSA-N
HMDB13579,852.491765606,C42H78O13P2,CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,39-40,43H,3-4,6,8-10,12,14-16,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,19-17-/t39-,40+/m0/s1",YIYLOIJYHDFGPQ,ZOIXFCGWSA,N,"PGP(18:3(9Z,12Z,15Z)/18:0)",YIYLOIJYHDFGPQ-ZOIXFCGWSA-N
HMDB13580,850.476115542,C42H76O13P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,39-40,43H,3-4,6,8-10,12,15,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,16-14-,19-17-/t39-,40+/m0/s1",GHDCXBSZDAAAOU,NHQSCMECSA,N,"PGP(18:3(9Z,12Z,15Z)/18:1(11Z))",GHDCXBSZDAAAOU-NHQSCMECSA-N
HMDB13581,850.476115542,C42H76O13P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,39-40,43H,3-4,6,8-10,12,14-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,19-17-,20-18-/t39-,40+/m0/s1",HRJQFVGGGALYJM,ZKYOWWIASA,N,"PGP(18:3(9Z,12Z,15Z)/18:1(9Z))",HRJQFVGGGALYJM-ZKYOWWIASA-N
HMDB13582,848.460465478,C42H74O13P2,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C42H74O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,39-40,43H,3-4,6,8-10,15-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1",YGJPTGGFWWXCQF,MLMWWJLQSA,N,"PGP(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",YGJPTGGFWWXCQF-MLMWWJLQSA-N
HMDB13583,846.444815414,C42H72O13P2,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C42H72O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,24,26,39-40,43H,3-4,6,8-10,15-16,21-23,25,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1",RYPJVVOOMFSZDR,ZRQQEKEJSA,N,"PGP(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",RYPJVVOOMFSZDR-ZRQQEKEJSA-N
HMDB13584,846.444815414,C42H72O13P2,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C42H72O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39-40,43H,3-4,9-10,15-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1",VITLGJCFKJBCGM,BIECOUIGSA,N,"PGP(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",VITLGJCFKJBCGM-BIECOUIGSA-N
HMDB13585,874.476115542,C44H76O13P2,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24,28,30,41-42,45H,3-5,7,9-11,13,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b8-6-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1",SRIWPYORGLVDRC,ALASHDNDSA,N,"PGP(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",SRIWPYORGLVDRC-ALASHDNDSA-N
HMDB13586,874.476115542,C44H76O13P2,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,41-42,45H,3-5,7,9-10,15-16,20,23,25-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t41-,42+/m0/s1",KEKBFQFIIBLILH,BSHSJOOASA,N,"PGP(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))",KEKBFQFIIBLILH-BSHSJOOASA-N
HMDB13587,872.460465478,C44H74O13P2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C44H74O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,41-42,45H,3-5,7,9-10,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1",HNOWFLZXFOGCEN,VVJMSEJKSA,N,"PGP(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",HNOWFLZXFOGCEN-VVJMSEJKSA-N
HMDB13588,900.491765606,C46H78O13P2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C46H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,43-44,47H,3-5,7,9-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1",UGSXRRINJOXWOU,YDYSYWMXSA,N,"PGP(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",UGSXRRINJOXWOU-YDYSYWMXSA-N
HMDB13589,898.476115542,C46H76O13P2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O,"InChI=1S/C46H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,32,34,43-44,47H,3-5,7,9-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1",PYFXNAYMMXRQJR,TVFHYZSLSA,N,"PGP(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PYFXNAYMMXRQJR-TVFHYZSLSA-N
HMDB13590,898.476115542,C46H76O13P2,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,43-44,47H,3-4,9-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1",ITOOAMIXGLWMRB,VBIBJVFYSA,N,"PGP(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ITOOAMIXGLWMRB-VBIBJVFYSA-N
HMDB13591,896.460465478,C46H74O13P2,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C46H74O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,43-44,47H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1",CIVIANHBKXRQIE,JRJQDFDNSA,N,"PGP(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CIVIANHBKXRQIE-JRJQDFDNSA-N
HMDB13592,109.969005542,C3H4Cl2,ClC\C=C\Cl,"InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+",UOORRWUZONOOLO,OWOJBTEDSA,N,"1,3-Dichloropropene",UOORRWUZONOOLO-OWOJBTEDSA-N
HMDB13593,154.012220944,C4H10O2S2,O[C@@H](CS)[C@@H](O)CS,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1",VHJLVAABSRFDPM,IMJSIDKUSA,N,"1,4-Dithiothreitol",VHJLVAABSRFDPM-IMJSIDKUSA-N
HMDB13609,204.089877638,C11H12N2O2,N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",QIVBCDIJIAJPQS,SECBINFHSA,N,D-Tryptophan,QIVBCDIJIAJPQS-SECBINFHSA-N
HMDB13617,551.090955347,C18H26N5O9PS2,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(NC(=O)CCCCC1CCSS1)NC2=O,"InChI=1S/C18H26N5O9PS2/c24-11(4-2-1-3-9-5-6-34-35-9)20-18-21-15-12(16(27)22-18)19-8-23(15)17-14(26)13(25)10(32-17)7-31-33(28,29)30/h8-10,13-14,17,25-26H,1-7H2,(H2,28,29,30)(H2,20,21,22,24,27)/t9?,10-,13-,14-,17-/m1/s1",DVZGUOFXTLKZTJ,LQLSJNDNSA,N,Lipoyl-GMP,DVZGUOFXTLKZTJ-LQLSJNDNSA-N
HMDB13620,344.23514489,C22H32O3,CCC1OC1C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O3/c1-2-20-21(25-20)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(23)24/h3-4,7-10,13-16,20-21H,2,5-6,11-12,17-19H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,15-13-,16-14-",OSXOPUBJJDUAOJ,MBYQGORISA,N,19(20)-EpDPE,OSXOPUBJJDUAOJ-MBYQGORISA-N
HMDB13621,344.23514489,C22H32O3,CC\C=C/CC1OC1C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,11-15,20-21H,2,4,9-10,16-19H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-3-,15-12-",BCTXZWCPBLWCRV,ZYADFMMDSA,N,16(17)-EpDPE,BCTXZWCPBLWCRV-ZYADFMMDSA-N
HMDB13622,296.271530396,C19H36O2,CCCCCCCC\C=C/CCCCCCCCC(O)=O,"InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9-",BBOWBNGUEWHNQZ,KTKRTIGZSA,N,Nonadeca-10(Z)-enoic acid,BBOWBNGUEWHNQZ-KTKRTIGZSA-N
HMDB13623,310.214409448,C18H30O4,CCCCCC1OC1\C=C\C(=O)CCCCCCCC(O)=O,"InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+",RCMABBHQYMBYKV,BUHFOSPRSA,N,12(13)Ep-9-KODE,RCMABBHQYMBYKV-BUHFOSPRSA-N
HMDB13624,321.266779369,C20H35NO2,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCCO,"InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,22H,2,5,8,11-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-",HBJXRRXWHSHZPU,PDBXOOCHSA,N,Alpha-Linolenoyl ethanolamide,HBJXRRXWHSHZPU-PDBXOOCHSA-N
HMDB13625,349.298079497,C22H39NO2,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)NCCO,"InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-",ULQWKETUACYZLI,QNEBEIHSSA,N,Dihomo-gamma-Linolenoyl ethanolamide,ULQWKETUACYZLI-QNEBEIHSSA-N
HMDB13626,375.313729561,C24H41NO2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCO,"InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-",FMVHVRYFQIXOAF,DOFZRALJSA,N,Adrenoyl ethanolamide,FMVHVRYFQIXOAF-DOFZRALJSA-N
HMDB13627,372.266445018,C24H36O3,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCCO,"InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25/h3-4,6-7,9-10,12-13,15-16,18-19,25H,2,5,8,11,14,17,20-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",CXWASNUDKUTFPQ,KUBAVDMBSA,N,Cervonoyl ethanolamide,CXWASNUDKUTFPQ-KUBAVDMBSA-N
HMDB13628,397.282823363,C22H39NO5,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)NCCO,"InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4+,13-12+/t17-,18+,19+,20-,21+/m0/s1",XCVCLIRZZCGEMU,FPLRWIMGSA,N,PGF2a ethanolamide,XCVCLIRZZCGEMU-FPLRWIMGSA-N
HMDB13630,363.277344055,C22H37NO3,OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO,"InChI=1S/C22H37NO3/c24-20-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22(26)23-19-21-25/h1,3-4,6-7,9-10,12,24-25H,2,5,8,11,13-21H2,(H,23,26)/b3-1-,6-4-,9-7-,12-10-",QRMZDMUHHZLRMH,DTLRTWKJSA,N,20-HETE ethanolamide,QRMZDMUHHZLRMH-DTLRTWKJSA-N
HMDB13631,339.277344055,C20H37NO3,CCCCCCCC\C=C/CCCCCCCC(=O)NCC(O)=O,"InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)/b10-9-",HPFXACZRFJDURI,KTKRTIGZSA,N,Oleoyl glycine,HPFXACZRFJDURI-KTKRTIGZSA-N
HMDB13633,318.219494826,C20H30O3,CCCCC\C=C/CC(=O)\C=C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+",GURBRQGDZZKITB,VXBMJZGYSA,N,12-KETE,GURBRQGDZZKITB-VXBMJZGYSA-N
HMDB13636,330.012415178,C14H6N2O8,OC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(O)=O)C(O)=O)C(=O)C2=O,"InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)",MMXZSJMASHPLLR,UHFFFAOYSA,N,Pyrroloquinoline quinone,MMXZSJMASHPLLR-UHFFFAOYSA-N
HMDB13639,237.085720237,C9H19NO2S2,NCSCCC(S)CCCCC(O)=O,"InChI=1S/C9H19NO2S2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H,11,12)",YNZQCBXDUUGFIX,UHFFFAOYSA,N,8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid,YNZQCBXDUUGFIX-UHFFFAOYSA-N
HMDB13640,1048.375839724,C40H71N6O18P3S,CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1C=CN=C2N,"InChI=1S/C40H71N6O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(47)24-32(49)68-23-22-42-31(48)19-21-44-38(52)36(51)40(2,3)26-61-67(58,59)64-66(56,57)60-25-30-35(63-65(53,54)55)34(50)39(62-30)46-27-45-33-29(46)18-20-43-37(33)41/h18,20,27-28,30,34-36,39,47,50-51H,4-17,19,21-26H2,1-3H3,(H2,41,43)(H,42,48)(H,44,52)(H,56,57)(H,58,59)(H2,53,54,55)",OUPPHAYXPJVNAY,UHFFFAOYSA,N,(S)-Hydroxyoctadecanoyl-CoA,OUPPHAYXPJVNAY-UHFFFAOYSA-N
HMDB13642,239.101839307,C9H13N5O3,CC(=O)C(O)C1CNC2=C(N1)C(=O)NC(N)=N2,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,6,12,16H,2H2,1H3,(H4,10,11,13,14,17)",PSNIIJBQEZDDMR,UHFFFAOYSA,N,1-hydroxy-2-Oxopropyl tetrahydropterin,PSNIIJBQEZDDMR-UHFFFAOYSA-N
HMDB13643,402.349780716,C27H46O2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1",CZDKQKOAHAICSF,JSAMMMMSSA,N,4b-Hydroxycholesterol,CZDKQKOAHAICSF-JSAMMMMSSA-N
HMDB13645,327.313729561,C20H41NO2,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C,"InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1",YRXOQXUDKDCXME,YIVRLKKSSA,N,"N,N-Dimethylsphingosine",YRXOQXUDKDCXME-YIVRLKKSSA-N
HMDB13646,754.097487349,C22H31N9O13P3S,CC1=C(CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H](O)[C@H]2O)N2C=NC3=C2N=CN=C3N)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C22H30N9O13P3S/c1-11-15(48-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-40-45(34,35)43-47(38,39)44-46(36,37)41-7-14-17(32)18(33)22(42-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H6-,23,24,25,26,27,29,34,35,36,37,38,39)/p+1/t14-,17+,18+,22-/m1/s1",FGOYXNBJKMNPDH,HPXJRWHBSA,O,Adenosine thiamine triphosphate,FGOYXNBJKMNPDH-HPXJRWHBSA-O
HMDB13647,674.131156939,C22H30N9O10P2S,CC1=C(CCOP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H](O)[C@H]2O)N2C=NC3=C2N=CN=C3N)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C22H29N9O10P2S/c1-11-15(44-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-38-42(34,35)41-43(36,37)39-7-14-17(32)18(33)22(40-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H5-,23,24,25,26,27,29,34,35,36,37)/p+1/t14-,17+,18+,22-/m1/s1",YLSJMTRFGUMRTH,HPXJRWHBSA,O,Adenosine thiamine diphosphate,YLSJMTRFGUMRTH-HPXJRWHBSA-O
HMDB13648,297.266779369,C18H35NO2,CCCCCC\C=C/CCCCCCCC(=O)NCCO,"InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h7-8,20H,2-6,9-17H2,1H3,(H,19,21)/b8-7-",WFRLANWAASSSFV,FPLPWBNLSA,N,Palmitoleoyl Ethanolamide,WFRLANWAASSSFV-FPLPWBNLSA-N
HMDB13649,345.266779369,C22H35NO2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO,"InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h3-4,6-7,9-10,12-13,15-16,24H,2,5,8,11,14,17-21H2,1H3,(H,23,25)/b4-3-,7-6-,10-9-,13-12-,16-15-",OVKKNJPJQKTXIT,JLNKQSITSA,N,Eicosapentaenoyl Ethanolamide,OVKKNJPJQKTXIT-JLNKQSITSA-N
HMDB13650,377.292994119,C23H39NO3,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC(CO)CO,"InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)24-22(20-25)21-26/h6-7,9-10,12-13,15-16,22,25-26H,2-5,8,11,14,17-21H2,1H3,(H,24,27)/b7-6-,10-9-,13-12-,16-15-",QHELXIATGZYOIB,DOFZRALJSA,N,Arachidonoyl Serinol,QHELXIATGZYOIB-DOFZRALJSA-N
HMDB13651,394.271924326,C23H38O5,CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO,"InChI=1S/C23H38O5/c1-2-3-12-15-21-22(28-21)16-13-10-8-6-4-5-7-9-11-14-17-23(26)27-20(18-24)19-25/h4,6-7,9-10,13,20-22,24-25H,2-3,5,8,11-12,14-19H2,1H3/b6-4-,9-7-,13-10-",LPMVKZXODWQHGJ,ILYOTBPNSA,N,"2-(14,15-Epoxyeicosatrienoyl) Glycerol",LPMVKZXODWQHGJ-ILYOTBPNSA-N
HMDB13652,363.277344055,C22H37NO3,CCCCC\C=C/CC1OC1C\C=C/C\C=C/CCCC(=O)NCCO,"InChI=1S/C22H37NO3/c1-2-3-4-5-9-12-15-20-21(26-20)16-13-10-7-6-8-11-14-17-22(25)23-18-19-24/h6,8-10,12-13,20-21,24H,2-5,7,11,14-19H2,1H3,(H,23,25)/b8-6-,12-9-,13-10-",TYRRSRADDAROSO,KROJNAHFSA,N,(±)11(12)-EET Ethanolamide,TYRRSRADDAROSO-KROJNAHFSA-N
HMDB13653,426.26175357,C23H38O7,CCCCC[C@@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(=O)OCC(O)CO)[C@@H](O)CC1=O,"InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19-,20-,21+/m1/s1",AWSHXGOINMVSGP,CDCWMRKJSA,N,Prostaglandin D2-1-glyceryl ester,AWSHXGOINMVSGP-CDCWMRKJSA-N
HMDB13654,329.292994119,C19H39NO3,CCCCCCCCCCCCCCCC(=O)NC(CO)CO,"InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)20-18(16-21)17-22/h18,21-22H,2-17H2,1H3,(H,20,23)",MZUNFYMZKTWADX,UHFFFAOYSA,N,Palmitoyl Serinol,MZUNFYMZKTWADX-UHFFFAOYSA-N
HMDB13655,347.282429433,C22H37NO2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCN,"InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-",DLHLOYYQQGSXCC,DOFZRALJSA,N,O-Arachidonoyl Ethanolamine,DLHLOYYQQGSXCC-DOFZRALJSA-N
HMDB13656,390.240624198,C23H34O5,CCCCC\C=C/C=C1/C(=O)C=C[C@@H]1C\C=C/CCCC(=O)OC(CO)CO,"InChI=1S/C23H34O5/c1-2-3-4-5-6-10-13-21-19(15-16-22(21)26)12-9-7-8-11-14-23(27)28-20(17-24)18-25/h6-7,9-10,13,15-16,19-20,24-25H,2-5,8,11-12,14,17-18H2,1H3/b9-7-,10-6-,21-13+/t19-/m0/s1",JGKIBUMNHSZUSL,WZOKZYBXSA,N,"15-deoxy-delta12,14-Prostaglandin J2-2-glycerol ester",JGKIBUMNHSZUSL-WZOKZYBXSA-N
HMDB13657,364.297745146,C23H40O3,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)CO,"InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-",CUJUUWXZAQHCNC,DOFZRALJSA,N,2-Arachidonyl Glycerol ether,CUJUUWXZAQHCNC-DOFZRALJSA-N
HMDB13658,371.282429433,C24H37NO2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCO,"InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",GEEHOLRSGZPBSM,KUBAVDMBSA,N,Docosahexaenoyl Ethanolamide,GEEHOLRSGZPBSM-KUBAVDMBSA-N
HMDB13659,363.277344055,C22H37NO3,CCCCC\C=C/C\C=C/CC1OC1C\C=C/CCCC(=O)NCCO,"InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-12-15-20-21(26-20)16-13-10-11-14-17-22(25)23-18-19-24/h6-7,9-10,12-13,20-21,24H,2-5,8,11,14-19H2,1H3,(H,23,25)/b7-6-,12-9-,13-10-",BXHPMUQFGGSDAK,TYAUOURKSA,N,(±)8(9)-EET Ethanolamide,BXHPMUQFGGSDAK-TYAUOURKSA-N
HMDB13667,88.905847902,Y,[Y],InChI=1S/Y,VWQVUPCCIRVNHF,UHFFFAOYSA,N,Yttrium,VWQVUPCCIRVNHF-UHFFFAOYSA-N
HMDB13668,101.904349503,Ru,[Ru],InChI=1S/Ru,KJTLSVCANCCWHF,UHFFFAOYSA,N,Ruthenium,KJTLSVCANCCWHF-UHFFFAOYSA-N
HMDB13669,132.90544687,Cs,[Cs],InChI=1S/Cs,TVFDJXOCXUVLDH,UHFFFAOYSA,N,Cesium,TVFDJXOCXUVLDH-UHFFFAOYSA-N
HMDB13670,105.903483087,Pd,[Pd],InChI=1S/Pd,KDLHZDBZIXYQEI,UHFFFAOYSA,N,Palladium,KDLHZDBZIXYQEI-UHFFFAOYSA-N
HMDB13671,194.964774449,Pt,[Pt],InChI=1S/Pt,BASFCYQUMIYNBI,UHFFFAOYSA,N,Platinum,BASFCYQUMIYNBI-UHFFFAOYSA-N
HMDB13672,139.905434035,Ce,[Ce],InChI=1S/Ce,GWXLDORMOJMVQZ,UHFFFAOYSA,N,Cerium,GWXLDORMOJMVQZ-UHFFFAOYSA-N
HMDB13674,126.031694058,C6H6O3,OC1=CC=CC(O)=C1O,"InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H",WQGWDDDVZFFDIG,UHFFFAOYSA,N,"1,2,3-Trihydroxybenzene",WQGWDDDVZFFDIG-UHFFFAOYSA-N
HMDB13675,126.031694058,C6H6O3,OC1=CC(O)=CC(O)=C1,"InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H",QCDYQQDYXPDABM,UHFFFAOYSA,N,"1,3,5-Trihydroxybenzene",QCDYQQDYXPDABM-UHFFFAOYSA-N
HMDB13676,154.026608673,C7H6O4,OC(=O)C1=C(O)C=CC=C1O,"InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)",AKEUNCKRJATALU,UHFFFAOYSA,N,"2,6-Dihydroxybenzoic acid",AKEUNCKRJATALU-UHFFFAOYSA-N
HMDB13677,154.026608673,C7H6O4,OC(=O)C1=CC(O)=CC(O)=C1,"InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)",UYEMGAFJOZZIFP,UHFFFAOYSA,N,"3,5-Dihydroxybenzoic acid",UYEMGAFJOZZIFP-UHFFFAOYSA-N
HMDB13678,195.053157781,C9H9NO4,OC(=O)CNC(=O)C1=CC=C(O)C=C1,"InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)",ZMHLUFWWWPBTIU,UHFFFAOYSA,N,4-Hydroxyhippuric acid,ZMHLUFWWWPBTIU-UHFFFAOYSA-N
HMDB13679,202.026608673,C11H6O4,OC1=C2C=CC(=O)OC2=CC2=C1C=CO2,"InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H",GIJHDGJRTUSBJR,UHFFFAOYSA,N,Bergaptol,GIJHDGJRTUSBJR-UHFFFAOYSA-N
HMDB13680,312.048131982,C13H12O9,O[C@H]([C@@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)C(O)=O,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",SWGKAHCIOQPKFW,JTNORFRNSA,N,Caftaric acid,SWGKAHCIOQPKFW-JTNORFRNSA-N
HMDB13682,342.13146768,C16H22O8,COC1=CC(\C=C\CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",SFLMUHDGSQZDOW,FAOXUISGSA,N,Coniferin,SFLMUHDGSQZDOW-FAOXUISGSA-N
HMDB13687,218.167065326,C15H22O,CC1CC(=O)C=C2CCC(CC12C)C(C)=C,"InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3",WTOYNNBCKUYIKC,UHFFFAOYSA,N,Nookatone,WTOYNNBCKUYIKC-UHFFFAOYSA-N
HMDB13688,220.18271539,C15H24O,C[C@@H]1C[C@H](O)C=C2CC[C@H](C[C@@]12C)C(C)=C,"InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12,14,16H,1,5-7,9H2,2-4H3/t11-,12-,14+,15+/m1/s1",GFNWRKNVTHDNPV,UXOAXIEHSA,N,Nootkatol,GFNWRKNVTHDNPV-UXOAXIEHSA-N
HMDB13689,463.124036578,C22H23O11,COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2,"InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1",ZZWPMFROUHHAKY,OUUKCGNVSA,O,Peonidin-3-glucoside,ZZWPMFROUHHAKY-OUUKCGNVSA-O
HMDB13690,578.142426277,C30H26O12,[H][C@@]1([C@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC(O)=C(O)C=C1,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",XFZJEEAOWLFHDH,VUGKQVTMSA,N,Procyanidin,XFZJEEAOWLFHDH-VUGKQVTMSA-N
HMDB13692,362.172938564,C20H26O6,COC1=C(O)C=CC(C[C@@H](CO)[C@H](CO)CC2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",PUETUDUXMCLALY,HOTGVXAUSA,N,Secoisolariciresinol,PUETUDUXMCLALY-HOTGVXAUSA-N
HMDB13693,218.167065328,C15H22O,C\C(CC\C=C(/C)C=O)=C/C\C=C(/C)C=C,"InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+",PFSTYGCNVAVZBK,JQGMZEBDSA,N,Sinensal,PFSTYGCNVAVZBK-JQGMZEBDSA-N
HMDB13695,228.042258744,C13H8O4,OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2,"InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H",RIUPLDUFZCXCHM,UHFFFAOYSA,N,Urolithin A,RIUPLDUFZCXCHM-UHFFFAOYSA-N
HMDB13696,212.047344122,C13H8O3,OC1=CC2=C(C=C1)C1=CC=CC=C1C(=O)O2,"InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H",WXUQMTRHPNOXBV,UHFFFAOYSA,N,Urolithin B,WXUQMTRHPNOXBV-UHFFFAOYSA-N
HMDB13701,146.021523302,C5H6O5,[H]OC(=O)C([H])([H])C(=O)C([H])([H])C(=O)O[H],"InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)",OXTNCQMOKLOUAM,UHFFFAOYSA,N,3-Oxoglutaric acid,OXTNCQMOKLOUAM-UHFFFAOYSA-N
HMDB13704,150.079312952,C8H10N2O,[H]N([H])C(=O)C1=C(N=C([H])C([H])=C1[H])C([H])([H])C([H])([H])[H],"InChI=1S/C8H10N2O/c1-2-7-6(8(9)11)4-3-5-10-7/h3-5H,2H2,1H3,(H2,9,11)",GOIWNSRZUNIIRY,UHFFFAOYSA,N,6-Methylnicotinamide,GOIWNSRZUNIIRY-UHFFFAOYSA-N
HMDB13713,246.100442324,C13H14N2O3,[H][C@@](CC1=CNC2=CC=CC=C12)(N=C(C)O)C(O)=O,"InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1",DZTHIGRZJZPRDV,LBPRGKRZSA,N,N-acetyltryptophan,DZTHIGRZJZPRDV-LBPRGKRZSA-N
HMDB13715,141.907718643,Nd,[Nd],InChI=1S/Nd,QEFYFXOXNSNQGX,UHFFFAOYSA,N,Neodymium,QEFYFXOXNSNQGX-UHFFFAOYSA-N
HMDB13716,117.078978601,C5H11NO2,CCC[C@@H](N)C(O)=O,"InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1",SNDPXSYFESPGGJ,SCSAIBSYSA,N,Norvaline,SNDPXSYFESPGGJ-SCSAIBSYSA-N
HMDB13719,186.955750787,Re,[Re],InChI=1S/Re,WUAPFZMCVAUBPE,UHFFFAOYSA,N,Rhenium,WUAPFZMCVAUBPE-UHFFFAOYSA-N
HMDB13724,239.943281,ClTl,Cl[Tl],InChI=1S/ClH.Tl/h1H;/q;+1/p-1,GBECUEIQVRDUKB,UHFFFAOYSA,M,Thallium,GBECUEIQVRDUKB-UHFFFAOYSA-M
HMDB13733,120.093900384,C9H12,CC1=CC(C)=C(C)C=C1,"InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",GWHJZXXIDMPWGX,UHFFFAOYSA,N,"1,2,4-Trimethylbenzene",GWHJZXXIDMPWGX-UHFFFAOYSA-N
HMDB13742,98.036779436,C5H6O2,OCC1=CC=CO1,"InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",XPFVYQJUAUNWIW,UHFFFAOYSA,N,2-Furanmethanol,XPFVYQJUAUNWIW-UHFFFAOYSA-N
HMDB13744,150.068079564,C9H10O2,COC1=CC(C=C)=CC=C1O,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",YOMSJEATGXXYPX,UHFFFAOYSA,N,2-Methoxy-4-vinylphenol,YOMSJEATGXXYPX-UHFFFAOYSA-N
HMDB13749,82.041864814,C5H6O,CC1=CC=CO1,"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3",VQKFNUFAXTZWDK,UHFFFAOYSA,N,2-Methylfuran,VQKFNUFAXTZWDK-UHFFFAOYSA-N
HMDB13751,95.037113787,C5H5NO,OC1=CC=CC=N1,"InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)",UBQKCCHYAOITMY,UHFFFAOYSA,N,2-Hydroxypyridine,UBQKCCHYAOITMY-UHFFFAOYSA-N
HMDB13773,131.094628665,C6H13NO2,CC(C)C[C@@H](N)C(O)=O,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1",ROHFNLRQFUQHCH,RXMQYKEDSA,N,D-Leucine,ROHFNLRQFUQHCH-RXMQYKEDSA-N
HMDB13780,125.963162262,C2H6S3,CSSSC,InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3,YWHLKYXPLRWGSE,UHFFFAOYSA,N,Dimethyl trisulfide,YWHLKYXPLRWGSE-UHFFFAOYSA-N
HMDB13785,68.02621475,C4H4O,O1C=CC=C1,InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,YLQBMQCUIZJEEH,UHFFFAOYSA,N,Furan,YLQBMQCUIZJEEH-UHFFFAOYSA-N
HMDB13804,190.1357652,C13H18O,C\C=C\C(=O)C1=C(C)C=CCC1(C)C,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",POIARNZEYGURDG,FNORWQNLSA,N,beta-Damascenone,POIARNZEYGURDG-FNORWQNLSA-N
HMDB13806,162.140850576,C12H18,[H]C1=C([H])C(=C([H])C(=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],"InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3",UNEATYXSUBPPKP,UHFFFAOYSA,N,"1,3-Diisopropylbenzene",UNEATYXSUBPPKP-UHFFFAOYSA-N
HMDB13809,126.10446507,C8H14O,[H]C(=O)C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3",LVBXEMGDVWVTGY,UHFFFAOYSA,N,(E)-2-octenal,LVBXEMGDVWVTGY-UHFFFAOYSA-N
HMDB13810,156.151415262,C10H20O,[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h7-8,11H,2-6,9-10H2,1H3",MTIJDFJGPCJFKE,UHFFFAOYSA,N,(E)-3-decen-1-ol,MTIJDFJGPCJFKE-UHFFFAOYSA-N
HMDB13811,146.118103761,C7H16NO2,CCCCCCC[N+](O)=O,"InChI=1S/C7H16NO2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/q+1",FVLWFQZJXWIROM,UHFFFAOYSA,N,1-Nitroheptane,FVLWFQZJXWIROM-UHFFFAOYSA-N
HMDB13812,132.102453697,C6H14NO2,CCCCCC[N+](O)=O,"InChI=1S/C6H14NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/q+1",RPBWECFHDHMPJN,UHFFFAOYSA,N,1-Nitrohexane,RPBWECFHDHMPJN-UHFFFAOYSA-N
HMDB13813,252.245315646,C17H32O,[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C#CC([H])([H])C([H])([H])C([H])([H])[H],"InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-3,6-17H2,1H3",DZJZIJZUKAATIV,UHFFFAOYSA,N,13-Heptadecyn-1-ol,DZJZIJZUKAATIV-UHFFFAOYSA-N
HMDB13815,120.057514878,C8H8O,[H]C1=C([H])C([H])=C2C(OC([H])([H])C2([H])[H])=C1[H],"InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2",HBEDSQVIWPRPAY,UHFFFAOYSA,N,"2,3-Dihydrobenzofuran",HBEDSQVIWPRPAY-UHFFFAOYSA-N
HMDB13816,204.151415262,C14H20O,[H]OC1=C(C([H])=C(C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])=C([H])[H],"InChI=1S/C14H20O/c1-5-7-11-10-12(8-9-13(11)15)14(3,4)6-2/h5,8-10,15H,1,6-7H2,2-4H3",DFAHCHKNTOVDQQ,UHFFFAOYSA,N,"2,4-Di-tert-butylphenol",DFAHCHKNTOVDQQ-UHFFFAOYSA-N
HMDB13817,220.146329884,C14H20O2,CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C,"InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3",RDQSIADLBQFVMY,UHFFFAOYSA,N,"2,6-Di-tert-butylbenzoquinone",RDQSIADLBQFVMY-UHFFFAOYSA-N
HMDB13818,130.135765198,C8H18O,[H]OC([H])([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],"InChI=1S/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3",QCHSJPKDWOFACC,UHFFFAOYSA,N,2-Ethyl-4-methyl-1-pentanol,QCHSJPKDWOFACC-UHFFFAOYSA-N
HMDB13820,190.172150704,C14H22,[H]C1=C([H])C([H])=C(C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],"InChI=1S/C14H22/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3",CQMDBLRKZWOZIW,UHFFFAOYSA,N,2-Methyl-2-phenyl-undecane,CQMDBLRKZWOZIW-UHFFFAOYSA-N
HMDB13821,142.135765198,C9H18O,CC(C)CC(=O)CC(C)C,"InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3",PTTPXKJBFFKCEK,UHFFFAOYSA,N,2-Methyl-4-heptanone,PTTPXKJBFFKCEK-UHFFFAOYSA-N
HMDB13824,138.10446507,C9H14O,CCCCCC1=CC=CO1,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",YVBAUDVGOFCUSG,UHFFFAOYSA,N,2-Pentylfuran,YVBAUDVGOFCUSG-UHFFFAOYSA-N
HMDB13825,206.167065326,C14H22O,CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1,"InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3",ISAVYTVYFVQUDY,UHFFFAOYSA,N,"4-(1,1,3,3-Tetramethylbutyl)-phenol",ISAVYTVYFVQUDY-UHFFFAOYSA-N
HMDB13835,278.151809192,C16H22O4,CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C,"InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3",MGWAVDBGNNKXQV,UHFFFAOYSA,N,Diisobutyl phthalate,MGWAVDBGNNKXQV-UHFFFAOYSA-N
HMDB13839,217.121512117,C12H15N3O,CNC1=C(C)N(C)N(C1=O)C1=CC=CC=C1,"InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3",JILCEWWZTBBOFS,UHFFFAOYSA,N,N-Desmethylaminopyrine,JILCEWWZTBBOFS-UHFFFAOYSA-N
HMDB13840,204.089877638,C11H12N2O2,CN1N(C(=O)C=C1CO)C1=CC=CC=C1,"InChI=1S/C11H12N2O2/c1-12-10(8-14)7-11(15)13(12)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3",JBJKAGOWIZGVTR,UHFFFAOYSA,N,3-Hydroxymethylantipyrine,JBJKAGOWIZGVTR-UHFFFAOYSA-N
HMDB13842,412.128388408,C22H16N6O3,OC(=O)C1=C2N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C(O)=NC2=CC=C1,"InChI=1S/C22H16N6O3/c29-21(30)17-6-3-7-18-19(17)28(22(31)23-18)12-13-8-10-14(11-9-13)15-4-1-2-5-16(15)20-24-26-27-25-20/h1-11H,12H2,(H,23,31)(H,29,30)(H,24,25,26,27)",KLCPKPIDOPBIQW,UHFFFAOYSA,N,O-Deethylated candesartan,KLCPKPIDOPBIQW-UHFFFAOYSA-N
HMDB13843,616.191776524,C30H28N6O9,CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1C1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C30H28N6O9/c1-2-44-30-31-20-9-5-8-19(28(40)41)21(20)35(30)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)26-32-33-34-36(26)27-24(39)22(37)23(38)25(45-27)29(42)43/h3-13,22-25,27,37-39H,2,14H2,1H3,(H,40,41)(H,42,43)/t22-,23-,24+,25-,27?/m0/s1",RGWIRVSYWBHDIC,XOEMIVIESA,N,Candesartan N2-glucuronide,RGWIRVSYWBHDIC-XOEMIVIESA-N
HMDB13845,446.243024234,C25H30N6O2,CCCCC(=O)NC1(CCCC1)C(=O)NCC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,"InChI=1S/C25H30N6O2/c1-2-3-10-22(32)27-25(15-6-7-16-25)24(33)26-17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-28-30-31-29-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,26,33)(H,27,32)(H,28,29,30,31)",PAKGYCNZUGIDHV,UHFFFAOYSA,N,SR 49498,PAKGYCNZUGIDHV-UHFFFAOYSA-N
HMDB13846,420.146537031,C22H21ClN6O,CCCCC1=NC(Cl)=C(C=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1,"InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)",FQZSMTSTFMNWQF,UHFFFAOYSA,N,E-3179,FQZSMTSTFMNWQF-UHFFFAOYSA-N
HMDB13847,598.194275083,C28H31ClN6O7,CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN(N=N1)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C28H31ClN6O7/c1-2-3-8-20-30-25(29)19(14-36)34(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)26-31-33-35(32-26)27-23(39)21(37)22(38)24(42-27)28(40)41/h4-7,9-12,21-24,27,36-39H,2-3,8,13-14H2,1H3,(H,40,41)/t21-,22-,23+,24-,27+/m0/s1",NGFMQMUIOUSHGR,RTCYWULBSA,N,Losartan N2-glucuronide,NGFMQMUIOUSHGR-RTCYWULBSA-N
HMDB13848,451.221954441,C24H29N5O4,CC(O)CCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)[C@@H](C(C)C)C(O)=O,"InChI=1S/C24H29N5O4/c1-15(2)22(24(32)33)29(21(31)13-8-16(3)30)14-17-9-11-18(12-10-17)19-6-4-5-7-20(19)23-25-27-28-26-23/h4-7,9-12,15-16,22,30H,8,13-14H2,1-3H3,(H,32,33)(H,25,26,27,28)/t16?,22-/m0/s1",ICSQZMPILLPFKC,XLDIYJRPSA,N,4-Hydroxyvalsartan,ICSQZMPILLPFKC-XLDIYJRPSA-N
HMDB13852,269.047026545,C10H11N3O4S,CC1=CC(NS(=O)(=O)C2=CC=C(NO)C=C2)=NO1,"InChI=1S/C10H11N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6,11,14H,1H3,(H,12,13)",MJAMPGKHIZXVFJ,UHFFFAOYSA,N,Sulfamethoxazole N4-hydroxylamine,MJAMPGKHIZXVFJ-UHFFFAOYSA-N
HMDB13854,295.062676609,C12H13N3O4S,CC(O)=NC1=CC=C(C=C1)S(=O)(=O)NC1=NOC(C)=C1,"InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)",GXPIUNZCALHVBA,UHFFFAOYSA,N,N4-Acetylsulfamethoxazole,GXPIUNZCALHVBA-UHFFFAOYSA-N
HMDB13855,429.084199911,C16H19N3O9S,CC1=CC(=NO1)N(C1OC(C(O)C(O)C1O)C(O)=O)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C16H19N3O9S/c1-7-6-10(18-28-7)19(29(25,26)9-4-2-8(17)3-5-9)15-13(22)11(20)12(21)14(27-15)16(23)24/h2-6,11-15,20-22H,17H2,1H3,(H,23,24)",BLFOMTRQSZIMKK,UHFFFAOYSA,N,Sulfamethoxazole N1-glucuronide,BLFOMTRQSZIMKK-UHFFFAOYSA-N
HMDB13856,276.019734282,C7H15Cl2N2O3P,OC1CCOP(=O)(N1)N(CCCl)CCCl,"InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)",RANONBLIHMVXAJ,UHFFFAOYSA,N,4-Hydroxycyclophosphamide,RANONBLIHMVXAJ-UHFFFAOYSA-N
HMDB13858,198.032491857,C5H12ClN2O2P,ClCCNP1(=O)NCCCO1,"InChI=1S/C5H12ClN2O2P/c6-2-4-8-11(9)7-3-1-5-10-11/h1-5H2,(H2,7,8,9)",DZKGMGPLDJOVCX,UHFFFAOYSA,N,3-Dechloroethylifosfamide,DZKGMGPLDJOVCX-UHFFFAOYSA-N
HMDB13859,198.032491857,C5H12ClN2O2P,NP1(=O)OCCCN1CCCl,"InChI=1S/C5H12ClN2O2P/c6-2-4-8-3-1-5-10-11(8,7)9/h1-5H2,(H2,7,9)",ROGLJLJCDSTWBN,UHFFFAOYSA,N,2-Dechloroethylifosfamide,ROGLJLJCDSTWBN-UHFFFAOYSA-N
HMDB13860,77.987242425,C2H3ClO,[H]C(=O)CCl,"InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2",QSKPIOLLBIHNAC,UHFFFAOYSA,N,Chloroacetaldehyde,QSKPIOLLBIHNAC-UHFFFAOYSA-N
HMDB13861,276.019734282,C7H15Cl2N2O3P,OC1CCOP(=O)(NCCCl)N1CCCl,"InChI=1S/C7H15Cl2N2O3P/c8-2-4-10-15(13)11(5-3-9)7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)",JHUJMHKRHQPBRG,UHFFFAOYSA,N,4-Hydroxyifosfamide,JHUJMHKRHQPBRG-UHFFFAOYSA-N
HMDB13862,479.243358585,C28H29N7O,CC1=C(NC2=NC=CC(=N2)C2=CN=CC=C2)C=C(NC(=O)C2=CC=C(CN3CCNCC3)C=C2)C=C1,"InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)",BQQYXPHRXIZMDM,UHFFFAOYSA,N,N-desmethylimatinib,BQQYXPHRXIZMDM-UHFFFAOYSA-N
HMDB13863,511.269573335,C29H33N7O2,CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)C(CO)C=C2)CC1,"InChI=1S/C29H33N7O2/c1-35-13-15-36(16-14-35)19-21-4-6-22(7-5-21)28(38)32-25-9-8-24(20-37)27(17-25)34-29-31-12-10-26(33-29)23-3-2-11-30-18-23/h2-12,17-18,24,27,37H,13-16,19-20H2,1H3,(H,32,38)(H,31,33,34)",JBSTUPHUZMAVFU,UHFFFAOYSA,N,AFN911,JBSTUPHUZMAVFU-UHFFFAOYSA-N
HMDB13864,509.253923271,C29H31N7O2,CC1=CC=C(NC(=O)C2=CC=C(CN3CC[N](C)([O-])CC3)C=C2)C=C1NC1=NC=CC(=N1)C1=CC=CN=C1,"InChI=1S/C29H31N7O2/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-35-14-16-36(2,38)17-15-35/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)/q-1",NKNYQJOPWJUEFK,UHFFFAOYSA,N,CGP71422,NKNYQJOPWJUEFK-UHFFFAOYSA-N
HMDB13865,510.261748303,C29H32N7O2,CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN([O-])CC=C3)=C2)CC1,"InChI=1S/C29H32N7O2/c1-21-5-10-25(18-27(21)33-29-30-12-11-26(32-29)24-4-3-13-36(38)20-24)31-28(37)23-8-6-22(7-9-23)19-35-16-14-34(2)15-17-35/h3-12,18,20H,13-17,19H2,1-2H3,(H,31,37)(H,30,32,33)/q-1",GSGBOCDPYHFQKY,UHFFFAOYSA,N,CGP72383,GSGBOCDPYHFQKY-UHFFFAOYSA-N
HMDB13866,357.209264491,C25H27NO,CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCNC)C=C1)C1=CC=CC=C1,"InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-",NYDCDZSEEAUOHN,IZHYLOQSSA,N,N-Desmethyltamoxifen,NYDCDZSEEAUOHN-IZHYLOQSSA-N
HMDB13868,387.219829177,C26H29NO2,CC\C(=C(\C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC(O)=C1)C1=CC=CC=C1,"InChI=1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+",ZQZFYGIXNQKOAV,OCEACIFDSA,N,3-Hydroxytamoxifen (Droloxifene),ZQZFYGIXNQKOAV-OCEACIFDSA-N
HMDB13870,274.05897144,C13H10N2O5,OC1CC(N2C(=O)C3=CC=CC=C3C2=O)C(=O)NC1=O,"InChI=1S/C13H10N2O5/c16-9-5-8(10(17)14-11(9)18)15-12(19)6-3-1-2-4-7(6)13(15)20/h1-4,8-9,16H,5H2,(H,14,17,18)",HHTOWVWIVBSOKC,UHFFFAOYSA,N,"cis,trans-5'-Hydroxythalidomide",HHTOWVWIVBSOKC-UHFFFAOYSA-N
HMDB13871,274.05897144,C13H10N2O5,OC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1,"InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)",LJBQRRQTZUJWRC,UHFFFAOYSA,N,5-Hydroxythalidomide,LJBQRRQTZUJWRC-UHFFFAOYSA-N
HMDB13872,274.05897144,C13H10N2O5,O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC3OC3C=C12,"InChI=1S/C13H10N2O5/c16-10-2-1-7(11(17)14-10)15-12(18)5-3-8-9(20-8)4-6(5)13(15)19/h3-4,7-9H,1-2H2,(H,14,16,17)",MNALUCRLHVMELD,UHFFFAOYSA,N,Thalidomide arene oxide,MNALUCRLHVMELD-UHFFFAOYSA-N
HMDB13880,324.099773622,C19H16O5,[H][C@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=C(O)C=C2C1=O,"InChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21,23H,9H2,1H3/t14-/m0/s1",JFCOGWFGPAUYNK,AWEZNQCLSA,N,S-6-Hydroxywarfarin,JFCOGWFGPAUYNK-AWEZNQCLSA-N
HMDB13881,324.099773622,C19H16O5,[H][C@](CC(C)=O)(C1=CC=C(O)C=C1)C1=C(O)OC2=CC=CC=C2C1=O,"InChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21,23H,10H2,1H3/t15-/m0/s1",UNTPHJKCRGFOFJ,HNNXBMFYSA,N,S-4'-Hydroxywarfarin,UNTPHJKCRGFOFJ-HNNXBMFYSA-N
HMDB13882,324.099773622,C19H16O5,[H][C@@](CC(C)=O)(C1=CC=C(O)C=C1)C1=C(O)OC2=CC=CC=C2C1=O,"InChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21,23H,10H2,1H3/t15-/m1/s1",UNTPHJKCRGFOFJ,OAHLLOKOSA,N,R-4'-Hydroxywarfarin,UNTPHJKCRGFOFJ-OAHLLOKOSA-N
HMDB13883,324.099773622,C19H16O5,[H][C@@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=C(O)C=C2C1=O,"InChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21,23H,9H2,1H3/t14-/m1/s1",JFCOGWFGPAUYNK,CQSZACIVSA,N,R-6-Hydroxywarfarin,JFCOGWFGPAUYNK-CQSZACIVSA-N
HMDB13884,324.099773622,C19H16O5,[H][C@@](C(O)C(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O,"InChI=1S/C19H16O5/c1-11(20)17(21)15(12-7-3-2-4-8-12)16-18(22)13-9-5-6-10-14(13)24-19(16)23/h2-10,15,17,21,23H,1H3/t15-,17?/m1/s1",KLDFTXZRAPVGLB,LDCVWXEPSA,N,R-10-Hydroxywarfarin,KLDFTXZRAPVGLB-LDCVWXEPSA-N
HMDB13885,324.099773622,C19H16O5,[H][C@@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=C(O)C=CC=C2C1=O,"InChI=1S/C19H16O5/c1-11(20)10-14(12-6-3-2-4-7-12)16-17(22)13-8-5-9-15(21)18(13)24-19(16)23/h2-9,14,21,23H,10H2,1H3/t14-/m1/s1",RCTGERXIFCOAHF,CQSZACIVSA,N,R-8-Hydroxywarfarin,RCTGERXIFCOAHF-CQSZACIVSA-N
HMDB13886,324.099773622,C19H16O5,[H][C@@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC(O)=CC=C2C1=O,"InChI=1S/C19H16O5/c1-11(20)9-15(12-5-3-2-4-6-12)17-18(22)14-8-7-13(21)10-16(14)24-19(17)23/h2-8,10,15,21,23H,9H2,1H3/t15-/m1/s1",BQSUFDMOXLLKQK,OAHLLOKOSA,N,R-7-Hydroxywarfarin,BQSUFDMOXLLKQK-OAHLLOKOSA-N
HMDB13888,293.177964363,C20H23NO,CN(C)CC\C=C1/C2=CC=CC=C2CC(O)C2=CC=CC=C12,"InChI=1S/C20H23NO/c1-21(2)13-7-12-17-16-9-4-3-8-15(16)14-20(22)19-11-6-5-10-18(17)19/h3-6,8-12,20,22H,7,13-14H2,1-2H3/b17-12+",GHWBJXOKAFHZAI,SFQUDFHCSA,N,E-10-Hydroxyamitriptyline,GHWBJXOKAFHZAI-SFQUDFHCSA-N
HMDB13889,279.162314299,C19H21NO,CNCC\C=C1/C2=CC=CC=C2CC(O)C2=CC=CC=C12,"InChI=1S/C19H21NO/c1-20-12-6-11-16-15-8-3-2-7-14(15)13-19(21)18-10-5-4-9-17(16)18/h2-5,7-11,19-21H,6,12-13H2,1H3/b16-11+",VAGXZGJKNUNLHK,LFIBNONCSA,N,E-10-Hydroxynortriptyline,VAGXZGJKNUNLHK-LFIBNONCSA-N
HMDB13892,263.188529049,C16H25NO2,CNCC(C1=CC=C(OC)C=C1)C1(O)CCCCC1,"InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3",MKAFOJAJJMUXLW,UHFFFAOYSA,N,N-Desmethylvenlafaxine,MKAFOJAJJMUXLW-UHFFFAOYSA-N
HMDB13894,234.100442324,C12H14N2O3,CCC1(NC(=O)N(C)C1=O)C1=CC=C(O)C=C1,"InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)",OQPLORUDZLXXPD,UHFFFAOYSA,N,S-4-Hydroxymephenytoin,OQPLORUDZLXXPD-UHFFFAOYSA-N
HMDB13895,286.095356946,C15H14N2O4,OC1C=CC(=CC1O)[C@]1(NC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C15H14N2O4/c18-11-7-6-10(8-12(11)19)15(9-4-2-1-3-5-9)13(20)16-14(21)17-15/h1-8,11-12,18-19H,(H2,16,17,20,21)/t11?,12?,15-/m1/s1",FEEKFEKCXIDMIS,KOHJWAIASA,N,"3',4'-Dihydrodiol",FEEKFEKCXIDMIS-KOHJWAIASA-N
HMDB13896,268.08479226,C15H12N2O3,OC1=CC(=CC=C1)[C@]1(NC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C15H12N2O3/c18-12-8-4-7-11(9-12)15(10-5-2-1-3-6-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)/t15-/m1/s1",FSPRLRPJSPWQNC,OAHLLOKOSA,N,3'-HPPH,FSPRLRPJSPWQNC-OAHLLOKOSA-N
HMDB13897,142.099379692,C8H14O2,CCCC(CC=C)C(O)=O,"InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)",UMYDNZXEHYSVFY,UHFFFAOYSA,N,4-ene-Valproic acid,UMYDNZXEHYSVFY-UHFFFAOYSA-N
HMDB13898,160.109944378,C8H16O3,CCCC(CCCO)C(O)=O,"InChI=1S/C8H16O3/c1-2-4-7(8(10)11)5-3-6-9/h7,9H,2-6H2,1H3,(H,10,11)",ZIWBCJXKYKOLJK,UHFFFAOYSA,N,5-Hydroxyvalproic acid,ZIWBCJXKYKOLJK-UHFFFAOYSA-N
HMDB13899,160.109944378,C8H16O3,CCCC(C(O)CC)C(O)=O,"InChI=1S/C8H16O3/c1-3-5-6(8(10)11)7(9)4-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)",LLPFTSMZBSRZDV,UHFFFAOYSA,N,3-Hydroxyvalproic acid,LLPFTSMZBSRZDV-UHFFFAOYSA-N
HMDB13900,160.109944378,C8H16O3,CCCC(CC(C)O)C(O)=O,"InChI=1S/C8H16O3/c1-3-4-7(8(10)11)5-6(2)9/h6-7,9H,3-5H2,1-2H3,(H,10,11)",OASKNPCLIHUTTL,UHFFFAOYSA,N,4-Hydroxyvalproic acid,OASKNPCLIHUTTL-UHFFFAOYSA-N
HMDB13902,142.099379692,C8H14O2,CCC\C(=C/CC)C(O)=O,"InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+",ZKNJEOBYOLUGKJ,FNORWQNLSA,N,2-ene-Valproic acid,ZKNJEOBYOLUGKJ-FNORWQNLSA-N
HMDB13903,142.099379692,C8H14O2,CCCC(\C=C/C)C(O)=O,"InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3-",WTMAHJABDOHPDJ,HYXAFXHYSA,N,(3Z)-2-Propylpent-3-enoic acid,WTMAHJABDOHPDJ-HYXAFXHYSA-N
HMDB13904,142.099379692,C8H14O2,CCCC(\C=C\C)C(O)=O,"InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3+",WTMAHJABDOHPDJ,HWKANZROSA,N,(3E)-2-Propylpent-3-enoic acid,WTMAHJABDOHPDJ-HWKANZROSA-N
HMDB13911,282.111675712,C15H14N4O2,OCC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1,"InChI=1S/C15H14N4O2/c20-8-9-5-7-17-14-12(9)18-15(21)11-2-1-6-16-13(11)19(14)10-3-4-10/h1-2,5-7,10,20H,3-4,8H2,(H,18,21)",SEBABOMFNCVZGF,UHFFFAOYSA,N,12-Hydroxynevirapine,SEBABOMFNCVZGF-UHFFFAOYSA-N
HMDB13912,282.111675712,C15H14N4O2,CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC(O)=C1,"InChI=1S/C15H14N4O2/c1-8-7-11(20)17-14-12(8)18-15(21)10-3-2-6-16-13(10)19(14)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,17,20)(H,18,21)",LFZSOJABLBVGRJ,UHFFFAOYSA,N,2-Hydroxynevirapine,LFZSOJABLBVGRJ-UHFFFAOYSA-N
HMDB13913,282.111675712,C15H14N4O2,CC1=C2NC(=O)C3=C(N=CC(O)=C3)N(C3CC3)C2=NC=C1,"InChI=1S/C15H14N4O2/c1-8-4-5-16-14-12(8)18-15(21)11-6-10(20)7-17-13(11)19(14)9-2-3-9/h4-7,9,20H,2-3H2,1H3,(H,18,21)",DZPVEPLRIKDBFC,UHFFFAOYSA,N,8-Hydroxynevirapine,DZPVEPLRIKDBFC-UHFFFAOYSA-N
HMDB13914,282.111675712,C15H14N4O2,CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1O,"InChI=1S/C15H14N4O2/c1-8-11(20)7-17-14-12(8)18-15(21)10-3-2-6-16-13(10)19(14)9-4-5-9/h2-3,6-7,9,20H,4-5H2,1H3,(H,18,21)",DANIONWINZEYME,UHFFFAOYSA,N,3-Hydroxynevirapine,DANIONWINZEYME-UHFFFAOYSA-N
HMDB13919,368.155848712,C21H24N2O2S,O=S(=O)(CCC1=CC2=C(NC=C2C[C@H]2CCCN2)C=C1)C1=CC=CC=C1,"InChI=1S/C21H24N2O2S/c24-26(25,19-6-2-1-3-7-19)12-10-16-8-9-21-20(13-16)17(15-23-21)14-18-5-4-11-22-18/h1-3,6-9,13,15,18,22-23H,4-5,10-12,14H2/t18-/m1/s1",HHTDENYTSCXDFO,GOSISDBHSA,N,N-Desmethyleletriptan,HHTDENYTSCXDFO-GOSISDBHSA-N
HMDB13921,279.048462472,C14H14ClNOS,OC1CN(CC2=CC=CC=C2Cl)CC2=C1SC=C2,"InChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)7-16-8-11-5-6-18-14(11)13(17)9-16/h1-6,13,17H,7-9H2",GWHGEZHHJDSDMI,UHFFFAOYSA,N,7-Hydroxyticlopidine,GWHGEZHHJDSDMI-UHFFFAOYSA-N
HMDB13922,297.014575525,C14H13Cl2NS,ClC1=CC2=C(CCN(CC3=CC=CC=C3Cl)C2)S1,"InChI=1S/C14H13Cl2NS/c15-12-4-2-1-3-10(12)8-17-6-5-13-11(9-17)7-14(16)18-13/h1-4,7H,5-6,8-9H2",INYHLAYOOFHUNE,UHFFFAOYSA,N,2-Chloroticlopidine,INYHLAYOOFHUNE-UHFFFAOYSA-N
HMDB13923,279.048462472,C14H14ClNOS,ClC1=CC=CC=C1CN1CCC2SC(=O)C=C2C1,"InChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)8-16-6-5-13-11(9-16)7-14(17)18-13/h1-4,7,13H,5-6,8-9H2",DJZQIXWGIZIETJ,UHFFFAOYSA,N,2-Oxoticlopidine,DJZQIXWGIZIETJ-UHFFFAOYSA-N
HMDB13924,262.045722818,C14H13ClNS,ClC1=CC=CC=C1C[N+]1=CC2=C(CC1)SC=C2,"InChI=1S/C14H13ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8,10H,5,7,9H2/q+1",RLTCLQFOWWSHJX,UHFFFAOYSA,N,Thienodihydropyridinium,RLTCLQFOWWSHJX-UHFFFAOYSA-N
HMDB13925,279.048462472,C14H14ClNOS,[O-][S+]1C=CC2=C1CCN(CC1=CC=CC=C1Cl)C2,"InChI=1S/C14H14ClNOS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-18(14)17/h1-4,6,8H,5,7,9-10H2",SSVDYGNPKZJQKO,UHFFFAOYSA,N,Ticlopidine S-oxide,SSVDYGNPKZJQKO-UHFFFAOYSA-N
HMDB13926,261.037897786,C14H12ClNS,ClC1=CC=CC=C1CN1CC2=C(SC=C2)C=C1,"InChI=1S/C14H12ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-8H,9-10H2",BNJVHGHQYHAEDJ,UHFFFAOYSA,N,Dehydrogenated ticlopidine,BNJVHGHQYHAEDJ-UHFFFAOYSA-N
HMDB13929,337.05394178,C16H16ClNO3S,COC(=O)[C@@H](N1CCC2SC(=O)C=C2C1)C1=CC=CC=C1Cl,"InChI=1S/C16H16ClNO3S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13/h2-5,8,13,15H,6-7,9H2,1H3/t13?,15-/m0/s1",JBSAZVIMJUOBNB,WUJWULDRSA,N,2-Oxoclopidogrel,JBSAZVIMJUOBNB-WUJWULDRSA-N
HMDB13930,331.10422772,C18H18FNO2S,OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1,"InChI=1S/C18H18FNO2S/c19-14-4-2-1-3-13(14)17(18(22)11-5-6-11)20-8-7-15-12(10-20)9-16(21)23-15/h1-4,9,11,17,21H,5-8,10H2",MPLQNQUWLWGOET,UHFFFAOYSA,N,R-95913,MPLQNQUWLWGOET-UHFFFAOYSA-N
HMDB13938,300.129633962,C17H20N2OS,CN(C)CCCN1C2=CC=CC=C2S(=O)C2=CC=CC=C12,"InChI=1S/C17H20N2OS/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)21(20)17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3",KSHDHDWHIWBNHA,UHFFFAOYSA,N,Promazine 5-sulfoxide,KSHDHDWHIWBNHA-UHFFFAOYSA-N
HMDB13939,270.119069276,C16H18N2S,CNCCCN1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C16H18N2S/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18/h2-5,7-10,17H,6,11-12H2,1H3",WOCOVPRTRIBGFZ,UHFFFAOYSA,N,N-Desmethylpromazine,WOCOVPRTRIBGFZ-UHFFFAOYSA-N
HMDB13940,252.11100701,C12H16N2O4,CN1C(=O)NC(=O)C(C)(C2=CC(O)CCC2)C1=O,"InChI=1S/C12H16N2O4/c1-12(7-4-3-5-8(15)6-7)9(16)13-11(18)14(2)10(12)17/h6,8,15H,3-5H2,1-2H3,(H,13,16,18)",YHCGILGEMWNROZ,UHFFFAOYSA,N,3'-Hydroxyhexobarbital,YHCGILGEMWNROZ-UHFFFAOYSA-N
HMDB13941,252.11100701,C12H16N2O4,CN1C(=O)NC(=O)C(C)(C1=O)C12CCCCC1O2,"InChI=1S/C12H16N2O4/c1-11(12-6-4-3-5-7(12)18-12)8(15)13-10(17)14(2)9(11)16/h7H,3-6H2,1-2H3,(H,13,15,17)",WOWLNDOPAUTOTH,UHFFFAOYSA,N,Epoxy-hexobarbital,WOWLNDOPAUTOTH-UHFFFAOYSA-N
HMDB13943,324.077788765,C17H13ClN4O,OCC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2",ZURUZYHEEMDQBU,UHFFFAOYSA,N,Alpha-hydroxyalprazolam,ZURUZYHEEMDQBU-UHFFFAOYSA-N
HMDB13946,422.184171952,C24H26N2O5,COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC(O)=C1N2,"InChI=1S/C24H26N2O5/c1-29-20-9-2-3-10-21(20)30-13-12-25-14-16(27)15-31-22-11-5-7-18-23(22)17-6-4-8-19(28)24(17)26-18/h2-11,16,25-28H,12-15H2,1H3",GPPVNZVFGNMPNR,UHFFFAOYSA,N,8-Hydroxycarvedilol,GPPVNZVFGNMPNR-UHFFFAOYSA-N
HMDB13947,422.184171952,C24H26N2O5,COC1=CC(O)=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2,"InChI=1S/C24H26N2O5/c1-29-23-13-16(27)9-10-21(23)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3",ZCJHEORDHXCJNB,UHFFFAOYSA,N,4'-Hydroxycarvedilol,ZCJHEORDHXCJNB-UHFFFAOYSA-N
HMDB13948,422.184171952,C24H26N2O5,COC1=CC=C(O)C=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2,"InChI=1S/C24H26N2O5/c1-29-21-10-9-16(27)13-23(21)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3",PVUVZUBTCLBJMT,UHFFFAOYSA,N,5'-Hydroxycarvedilol,PVUVZUBTCLBJMT-UHFFFAOYSA-N
HMDB13949,392.173607266,C23H24N2O4,OC(CNCCOC1=CC=CC=C1O)COC1=CC=CC2=C1C1=CC=CC=C1N2,"InChI=1S/C23H24N2O4/c26-16(14-24-12-13-28-21-10-4-3-9-20(21)27)15-29-22-11-5-8-19-23(22)17-6-1-2-7-18(17)25-19/h1-11,16,24-27H,12-15H2",XAUKPPPYYOKVQJ,UHFFFAOYSA,N,O-Desmethylcarvedilol,XAUKPPPYYOKVQJ-UHFFFAOYSA-N
HMDB13950,422.184171952,C24H26N2O5,COC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1N2,"InChI=1S/C24H26N2O5/c1-29-20-8-4-5-9-21(20)30-13-12-25-14-16(27)15-31-22-11-10-19(28)24-23(22)17-6-2-3-7-18(17)26-24/h2-11,16,25-28H,12-15H2,1H3",UQJJKVKQRTUYJW,UHFFFAOYSA,N,1-Hydroxycarvedilol,UQJJKVKQRTUYJW-UHFFFAOYSA-N
HMDB13958,365.199093735,C23H27NO3,COC1=C(O)C=C2CC(CC3CCN(CC4=CC=CC=C4)CC3)C(=O)C2=C1,"InChI=1S/C23H27NO3/c1-27-22-14-20-18(13-21(22)25)12-19(23(20)26)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3",DSMISVLYMKJMLP,UHFFFAOYSA,N,5-O-Desmethyldonepezil,DSMISVLYMKJMLP-UHFFFAOYSA-N
HMDB13959,365.199093735,C23H27NO3,COC1=C(O)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1,"InChI=1S/C23H27NO3/c1-27-22-13-18-12-19(23(26)20(18)14-21(22)25)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3",DJRBBQJREIMIEU,UHFFFAOYSA,N,6-O-Desmethyldonepezil,DJRBBQJREIMIEU-UHFFFAOYSA-N
HMDB13960,289.167793607,C17H23NO3,COC1=C(OC)C=C2C(=O)C(CC3CCNCC3)CC2=C1,"InChI=1S/C17H23NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h9-11,13,18H,3-8H2,1-2H3",PGBZORAISITZTF,UHFFFAOYSA,N,Donepezil metabolite M4,PGBZORAISITZTF-UHFFFAOYSA-N
HMDB13961,440.26750765,C26H36N2O4,COC1=C(O)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1,"InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-24(31-5)25(17-21)32-6)13-7-14-28(3)15-12-20-8-10-23(30-4)22(29)16-20/h8-11,16-17,19,29H,7,12-15H2,1-6H3",OAAPYTCHFIIVON,UHFFFAOYSA,N,O-Desmethylverapamil (D-702),OAAPYTCHFIIVON-UHFFFAOYSA-N
HMDB13962,290.199428086,C17H26N2O2,CNCCCC(C#N)(C(C)C)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3",WLOBUUJURNEQCL,UHFFFAOYSA,N,Verapamil  metabolite D-617,WLOBUUJURNEQCL-UHFFFAOYSA-N
HMDB13968,252.05686295,C11H12N2O3S,CC(N(O)C(N)=O)C1=CC2=CC=C(O)C=C2S1,"InChI=1S/C11H12N2O3S/c1-6(13(16)11(12)15)9-4-7-2-3-8(14)5-10(7)17-9/h2-6,14,16H,1H3,(H2,12,15)",ZQQVPNNYZLDMMO,UHFFFAOYSA,N,Hydroxyzileuton,ZQQVPNNYZLDMMO-UHFFFAOYSA-N
HMDB13969,252.05686295,C11H12N2O3S,CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1=O,"InChI=1S/C11H12N2O3S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)17(10)16/h2-7,15H,1H3,(H2,12,14)",KWEAXQJUQDQMNY,UHFFFAOYSA,N,Zileuton sulfoxide,KWEAXQJUQDQMNY-UHFFFAOYSA-N
HMDB13970,220.067033706,C11H12N2OS,CC(NC(N)=O)C1=CC2=CC=CC=C2S1,"InChI=1S/C11H12N2OS/c1-7(13-11(12)14)10-6-8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H3,12,13,14)",CKVDCQYUEYONIA,UHFFFAOYSA,N,Dehydroxyzyleuton,CKVDCQYUEYONIA-UHFFFAOYSA-N
HMDB13972,283.193614427,C19H25NO,CC(C)NCC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1,"InChI=1S/C19H25NO/c1-14(2)20-12-11-17(16-7-5-4-6-8-16)18-13-15(3)9-10-19(18)21/h4-10,13-14,17,20-21H,11-12H2,1-3H3/t17-/m1/s1",CPLYUIYTJCFQJD,QGZVFWFLSA,N,N-Dealkylated tolterodine,CPLYUIYTJCFQJD-QGZVFWFLSA-N
HMDB13973,341.235479241,C22H31NO2,CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(CO)=C1)C(C)C,"InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1",DUXZAXCGJSBGDW,HXUWFJFHSA,N,5-Hydroxymethyl tolterodine,DUXZAXCGJSBGDW-HXUWFJFHSA-N
HMDB13974,311.011598637,C14H11Cl2NO3,OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=C(O)C=C1Cl,"InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)",KGVXVPRLBMWZLG,UHFFFAOYSA,N,4'-Hydroxydiclofenac,KGVXVPRLBMWZLG-UHFFFAOYSA-N
HMDB13976,311.011598637,C14H11Cl2NO3,OC(=O)CC1=CC=CC=C1NC1=C(Cl)C(O)=CC=C1Cl,"InChI=1S/C14H11Cl2NO3/c15-9-5-6-11(18)13(16)14(9)17-10-4-2-1-3-8(10)7-12(19)20/h1-6,17-18H,7H2,(H,19,20)",HYPJZSYXUWYJDG,UHFFFAOYSA,N,3'-Hydroxydiclofenac,HYPJZSYXUWYJDG-UHFFFAOYSA-N
HMDB13988,219.089543287,C12H13NO3,COC1=CC2=C(NC(C)=C2CC(O)=O)C=C1,"InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)",TXWGINUZLBAKDF,UHFFFAOYSA,N,N-Deschlorobenzoyl indomethacin,TXWGINUZLBAKDF-UHFFFAOYSA-N
HMDB13989,216.07864425,C13H12O3,CC(C(O)=O)C1=CC2=C(C=C1)C=C(O)C=C2,"InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)",XWJUDDGELKXYNO,UHFFFAOYSA,N,O-Desmethylnaproxen,XWJUDDGELKXYNO-UHFFFAOYSA-N
HMDB13991,386.975039532,C13H10ClN3O5S2,CN1C(C(=O)NC2=CC=C(O)C=N2)=C(O)C2=C(C=C(Cl)S2)S1(=O)=O,"InChI=1S/C13H10ClN3O5S2/c1-17-10(13(20)16-9-3-2-6(18)5-15-9)11(19)12-7(24(17,21)22)4-8(14)23-12/h2-5,18-19H,1H3,(H,15,16,20)",NQOMZUZLRFQVLR,UHFFFAOYSA,N,5'-Hydroxylornoxicam,NQOMZUZLRFQVLR-UHFFFAOYSA-N
HMDB13995,397.070796634,C17H14F3N3O3S,NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(CO)C=C1)C(F)(F)F,"InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)",ICRSYPPLGADZKA,UHFFFAOYSA,N,Hydroxycelecoxib,ICRSYPPLGADZKA-UHFFFAOYSA-N
HMDB13997,374.049190753,C18H15ClN2O3S,CS(=O)(=O)C1=CC=C(C=C1)C1=C(N=CC(Cl)=C1)C1=CN=C(CO)C=C1,"InChI=1S/C18H15ClN2O3S/c1-25(23,24)16-6-3-12(4-7-16)17-8-14(19)10-21-18(17)13-2-5-15(11-22)20-9-13/h2-10,22H,11H2,1H3",SCVWZQQMIZJGJY,UHFFFAOYSA,N,6-Hydroxymethyletoricoxib,SCVWZQQMIZJGJY-UHFFFAOYSA-N
HMDB14004,271.120843415,C16H17NO3,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN[C@]([H])(C4)[C@]1([H])CCC2=O,"InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1,3,9-10,15,17-18H,2,4-7H2/t9-,10+,15-,16-/m0/s1",SWIRXSKBBSJXGY,UIHHKEIPSA,N,Norhydromorphone,SWIRXSKBBSJXGY-UIHHKEIPSA-N
HMDB14008,385.070796634,C16H14F3N3O3S,CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC(O)=CC=C2N1,"InChI=1S/C16H14F3N3O3S/c1-9-13(20-5-4-14(9)25-8-16(17,18)19)7-26(24)15-21-11-3-2-10(23)6-12(11)22-15/h2-6,23H,7-8H2,1H3,(H,21,22)",IDCLTMRSSAXUNY,UHFFFAOYSA,N,Hydroxylansoprazole,IDCLTMRSSAXUNY-UHFFFAOYSA-N
HMDB14009,385.070796634,C16H14F3N3O3S,CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)(=O)C1=NC2=CC=CC=C2N1,"InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)",TVMJMCGRSSSSDJ,UHFFFAOYSA,N,Lansoprazole sulfone,TVMJMCGRSSSSDJ-UHFFFAOYSA-N
HMDB14010,361.109626801,C17H19N3O4S,COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(CO)C(OC)=C1C,"InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)",CMZHQFXXAAIBKE,UHFFFAOYSA,N,5-Hydroxyomeprazole,CMZHQFXXAAIBKE-UHFFFAOYSA-N
HMDB14011,331.099062115,C16H17N3O3S,COC1=C(C)C(CS(=O)C2=NC3=C(N2)C=C(O)C=C3)=NC=C1C,"InChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)22-3)8-23(21)16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)",TWXDTVZNDQKCOS,UHFFFAOYSA,N,5'-O-Desmethyl omeprazole,TWXDTVZNDQKCOS-UHFFFAOYSA-N
HMDB14012,361.109626801,C17H19N3O4S,COC1=CC2=C(C=C1)N=C(N2)S(=O)(=O)CC1=NC=C(C)C(OC)=C1C,"InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",IXEQEYRTSRFZEO,UHFFFAOYSA,N,Omeprazole sulfone,IXEQEYRTSRFZEO-UHFFFAOYSA-N
HMDB14013,361.109626801,C17H19N3O4S,COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1CO,"InChI=1S/C17H19N3O4S/c1-10-7-18-15(12(8-21)16(10)24-3)9-25(22)17-19-13-5-4-11(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)",IGVYIWUGJPECAJ,UHFFFAOYSA,N,3-Hydroxyomeprazole,IGVYIWUGJPECAJ-UHFFFAOYSA-N
HMDB14016,253.086956468,C13H16ClNO2,CNC1(CCC(O)CC1=O)C1=CC=CC=C1Cl,"InChI=1S/C13H16ClNO2/c1-15-13(7-6-9(16)8-12(13)17)10-4-2-3-5-11(10)14/h2-5,9,15-16H,6-8H2,1H3",GJRAGJDIUMHOLU,UHFFFAOYSA,N,5-Hydroxyketamine,GJRAGJDIUMHOLU-UHFFFAOYSA-N
HMDB14017,253.086956468,C13H16ClNO2,CNC1(CC(O)CCC1=O)C1=CC=CC=C1Cl,"InChI=1S/C13H16ClNO2/c1-15-13(8-9(16)6-7-12(13)17)10-4-2-3-5-11(10)14/h2-5,9,15-16H,6-8H2,1H3",RHZRNGQIDYHQPV,UHFFFAOYSA,N,4-Hydroxyketamine,RHZRNGQIDYHQPV-UHFFFAOYSA-N
HMDB14018,194.13067982,C12H18O2,CC(C)C1=CC(O)=CC(C(C)C)=C1O,"InChI=1S/C12H18O2/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,13-14H,1-4H3",UFWIJKBKROBWTG,UHFFFAOYSA,N,4-Hydroxypropofol,UFWIJKBKROBWTG-UHFFFAOYSA-N
HMDB14021,310.148141445,C19H19FN2O,CNCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,"InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3",PTJADDMMFYXMMG,UHFFFAOYSA,N,N-Desmethylcitalopram,PTJADDMMFYXMMG-UHFFFAOYSA-N
HMDB14023,162.029249397,C7H5F3O,OC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H",BAYGVMXZJBFEMB,UHFFFAOYSA,N,para-Trifluoromethylphenol,BAYGVMXZJBFEMB-UHFFFAOYSA-N
HMDB14024,292.028455311,C10H13ClN2O4S,CCCNC(=O)NS(=O)(=O)C1=C(O)C=C(Cl)C=C1,"InChI=1S/C10H13ClN2O4S/c1-2-5-12-10(15)13-18(16,17)9-4-3-7(11)6-8(9)14/h3-4,6,14H,2,5H2,1H3,(H2,12,13,15)",QRXRPQPWKRLTQX,UHFFFAOYSA,N,2-Hydroxychlorpropamide,QRXRPQPWKRLTQX-UHFFFAOYSA-N
HMDB14025,292.028455311,C10H13ClN2O4S,CCCNC(=O)NS(=O)(=O)C1=CC(O)=C(Cl)C=C1,"InChI=1S/C10H13ClN2O4S/c1-2-5-12-10(15)13-18(16,17)7-3-4-8(11)9(14)6-7/h3-4,6,14H,2,5H2,1H3,(H2,12,13,15)",RXFPYNAVFFDUJE,UHFFFAOYSA,N,3-Hydroxychlorpropamide,RXFPYNAVFFDUJE-UHFFFAOYSA-N
HMDB14026,233.986590497,C7H7ClN2O3S,NC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C7H7ClN2O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,(H3,9,10,11)",AZEPYUPSYWCRBG,UHFFFAOYSA,N,p-Chlorobenzene sulfonyl urea,AZEPYUPSYWCRBG-UHFFFAOYSA-N
HMDB14027,339.125276865,C15H21N3O4S,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CC(O)CC2C1,"InChI=1S/C15H21N3O4S/c1-10-2-4-14(5-3-10)23(21,22)17-15(20)16-18-8-11-6-13(19)7-12(11)9-18/h2-5,11-13,19H,6-9H2,1H3,(H2,16,17,20)",JMHDCYDSYHLATB,UHFFFAOYSA,N,7-Hydroxygliclazide,JMHDCYDSYHLATB-UHFFFAOYSA-N
HMDB14028,339.125276865,C15H21N3O4S,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCC(O)C2C1,"InChI=1S/C15H21N3O4S/c1-10-2-5-12(6-3-10)23(21,22)17-15(20)16-18-8-11-4-7-14(19)13(11)9-18/h2-3,5-6,11,13-14,19H,4,7-9H2,1H3,(H2,16,17,20)",VUUZEWXIRFGRFE,UHFFFAOYSA,N,6-Hydroxygliclazide,VUUZEWXIRFGRFE-UHFFFAOYSA-N
HMDB14029,339.125276865,C15H21N3O4S,OCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1,"InChI=1S/C15H21N3O4S/c19-10-11-4-6-14(7-5-11)23(21,22)17-15(20)16-18-8-12-2-1-3-13(12)9-18/h4-7,12-13,19H,1-3,8-10H2,(H2,16,17,20)",IHCHVBQHVIUSTM,UHFFFAOYSA,N,Methylhydroxygliclazide,IHCHVBQHVIUSTM-UHFFFAOYSA-N
HMDB14037,427.179501152,C24H26FNO5,CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C2=CC=C(O)C=C12,"InChI=1S/C24H26FNO5/c1-14(2)26-21(10-8-17(27)11-19(29)13-23(30)31)24(15-3-5-16(25)6-4-15)20-9-7-18(28)12-22(20)26/h3-10,12,14,17,19,27-29H,11,13H2,1-2H3,(H,30,31)/b10-8+/t17-,19-/m0/s1",WSYBZSUCJJHTIP,CLFQVBOOSA,N,6-Hydroxyfluvastatin,WSYBZSUCJJHTIP-CLFQVBOOSA-N
HMDB14038,369.137636338,C21H20FNO4,O[C@@H](C[C@@H](O)\C=C\C1=C(C2=CC=CC=C2N1)C1=CC=C(F)C=C1)CC(O)=O,"InChI=1S/C21H20FNO4/c22-14-7-5-13(6-8-14)21-17-3-1-2-4-18(17)23-19(21)10-9-15(24)11-16(25)12-20(26)27/h1-10,15-16,23-25H,11-12H2,(H,26,27)/b10-9+/t15-,16-/m0/s1",POFAWBXODXSMNI,IGXNXKSNSA,N,N-Deisopropyl-fluvastatin,POFAWBXODXSMNI-IGXNXKSNSA-N
HMDB14039,427.179501152,C24H26FNO5,CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C2=CC(O)=CC=C12,"InChI=1S/C24H26FNO5/c1-14(2)26-21-9-7-18(28)12-20(21)24(15-3-5-16(25)6-4-15)22(26)10-8-17(27)11-19(29)13-23(30)31/h3-10,12,14,17,19,27-29H,11,13H2,1-2H3,(H,30,31)/b10-8+/t17-,19-/m0/s1",YCXJQQVRCVXLTP,CLFQVBOOSA,N,5-Hydroxyfluvastatin,YCXJQQVRCVXLTP-CLFQVBOOSA-N
HMDB14045,257.177964363,C17H23NO,COC1=CC2=C(C[C@@H]3NCC[C@]22CCCC[C@H]32)C=C1,"InChI=1S/C17H23NO/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13/h5-6,11,14,16,18H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1",ILNSWVUXAPSPEH,PVAVHDDUSA,N,3-Methoxymorphinan,ILNSWVUXAPSPEH-PVAVHDDUSA-N
HMDB14096,347.057591231,C15H13N3O5S,CN1C(C(=O)NC2=NC=C(O)C=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O,"InChI=1S/C15H13N3O5S/c1-18-13(15(21)17-12-7-6-9(19)8-16-12)14(20)10-4-2-3-5-11(10)24(18,22)23/h2-8,19-20H,1H3,(H,16,17,21)",CCKOORANQAQKKV,UHFFFAOYSA,N,5'-Hydroxypiroxicam,CCKOORANQAQKKV-UHFFFAOYSA-N
HMDB14098,353.014011857,C13H11N3O5S2,CN1\C(=C(/O)NC2=CC=C(O)C=N2)C(=O)C2=C(C=CS2)S1(=O)=O,"InChI=1S/C13H11N3O5S2/c1-16-10(13(19)15-9-3-2-7(17)6-14-9)11(18)12-8(4-5-22-12)23(16,20)21/h2-6,17,19H,1H3,(H,14,15)/b13-10-",INPPRTDYEGRTIU,RAXLEYEMSA,N,5'-Hydroxytenoxicam,INPPRTDYEGRTIU-RAXLEYEMSA-N
HMDB14118,113.992863891,C2HF3O2,OC(=O)C(F)(F)F,"InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)",DTQVDTLACAAQTR,UHFFFAOYSA,N,Trifluoroacetic acid,DTQVDTLACAAQTR-UHFFFAOYSA-N
HMDB14246,440.26750765,C26H36N2O4,COC1=C(O)C=CC(=C1)C(CCCN(C)CCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C,"InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-10-22(29)24(17-21)31-5)13-7-14-28(3)15-12-20-8-11-23(30-4)25(16-20)32-6/h8-11,16-17,19,29H,7,12-15H2,1-6H3",WLKVZSXOMGNZLB,UHFFFAOYSA,N,O-Desmethylverapamil (D-703),WLKVZSXOMGNZLB-UHFFFAOYSA-N
HMDB14256,410.190480416,C22H28F2O5,OC1CC(O)C(\C=C\C(F)(F)COC2=CC=CC=C2)C1C\C=C/CCCC(O)=O,"InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+",KIQXRQVVYTYYAZ,MTNCBHNASA,N,Tafluprost free acid,KIQXRQVVYTYYAZ-MTNCBHNASA-N
HMDB14257,265.146664235,C18H19NO,NCC\C=C1/C2=CC=CC=C2CC(O)C2=CC=CC=C12,"InChI=1S/C18H19NO/c19-11-5-10-15-14-7-2-1-6-13(14)12-18(20)17-9-4-3-8-16(15)17/h1-4,6-10,18,20H,5,11-12,19H2/b15-10+",PIEVJGJKDMQGSG,XNTDXEJSSA,N,E-10-Hydroxydesmethylnortriptyline,PIEVJGJKDMQGSG-XNTDXEJSSA-N
HMDB14258,349.114792406,C18H20FNO3S,OC(=O)CC1=C(S)CCN(C1)C(C(=O)C1CC1)C1=CC=CC=C1F,"InChI=1S/C18H20FNO3S/c19-14-4-2-1-3-13(14)17(18(23)11-5-6-11)20-8-7-15(24)12(10-20)9-16(21)22/h1-4,11,17,24H,5-10H2,(H,21,22)",HLJDDPUMYDOUGR,UHFFFAOYSA,N,R-138727,HLJDDPUMYDOUGR-UHFFFAOYSA-N
HMDB14259,1268.641439486,C59H84N18O14,CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O,"InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38-,39-,40-,41-,42-,43-,44-,45+,46-/m0/s1",BLCLNMBMMGCOAS,URPVMXJPSA,N,Goserelin,BLCLNMBMMGCOAS-URPVMXJPSA-N
HMDB14260,1068.426954962,C46H64N14O12S2,NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O,"InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29-,30-,31-,32-,33-,34-/m0/s1",NFLWUMRGJYTJIN,NXBWRCJVSA,N,Desmopressin,NFLWUMRGJYTJIN-NXBWRCJVSA-N
HMDB14261,1429.669818444,C70H92ClN17O14,CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,"InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1",SBNPWPIBESPSIF,MHWMIDJBSA,N,Cetrorelix,SBNPWPIBESPSIF-MHWMIDJBSA-N
HMDB14262,1018.440479762,C49H66N10O10S2,C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N1,"InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29?,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1",DEQANNDTNATYII,RRCPSWKPSA,N,Octreotide,DEQANNDTNATYII-RRCPSWKPSA-N
HMDB14284,568.428031036,C40H56O2,C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",KBPHJBAIARWVSC,DKLMTRRASA,N,Xanthophyll,KBPHJBAIARWVSC-DKLMTRRASA-N
HMDB14291,385.113782505,C13H24NO10P,CCCC(=O)O[C@H](COC(=O)CC)COP(O)(=O)OC[C@H](N)C(O)=O,"InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1",UNJJBGNPUUVVFQ,ZJUUUORDSA,N,Phosphatidylserine,UNJJBGNPUUVVFQ-ZJUUUORDSA-N
HMDB14312,206.043521072,C8H14O2S2,OC(=O)CCCC[C@@H]1CCSS1,"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1",AGBQKNBQESQNJD,SSDOTTSWSA,N,(S)-lipoic acid,AGBQKNBQESQNJD-SSDOTTSWSA-N
HMDB14315,384.33921603,C27H44O,CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1",QYSXJUFSXHHAJI,YRZJJWOYSA,N,Cholecalciferol,QYSXJUFSXHHAJI-YRZJJWOYSA-N
HMDB14322,318.155512541,C15H21F3N2O2,COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3",CJOFXWAVKWHTFT,UHFFFAOYSA,N,Fluvoxamine,CJOFXWAVKWHTFT-UHFFFAOYSA-N
HMDB14323,435.227039819,C24H29N5O3,CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O,"InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1",ACWBQPMHZXGDFX,QFIPXVFZSA,N,Valsartan,ACWBQPMHZXGDFX-QFIPXVFZSA-N
HMDB14324,416.231122144,C23H32N2O5,[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC,"InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1",HDACQVRGBOVJII,JBDAPHQKSA,N,Ramipril,HDACQVRGBOVJII-JBDAPHQKSA-N
HMDB14325,302.151809192,C18H22O4,C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1,"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+",HCZKYJDFEPMADG,TXEJJXNPSA,N,Masoprocol,HCZKYJDFEPMADG-TXEJJXNPSA-N
HMDB14326,434.210466929,C24H31FO6,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,"InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",XSFJVAJPIHIPKU,XWCQMRHXSA,N,Flunisolide,XSFJVAJPIHIPKU-XWCQMRHXSA-N
HMDB14327,213.05565634,C10H12ClNO2,NCC(CC(O)=O)C1=CC=C(Cl)C=C1,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)",KPYSYYIEGFHWSV,UHFFFAOYSA,N,Baclofen,KPYSYYIEGFHWSV-UHFFFAOYSA-N
HMDB14328,135.104799421,C9H13N,CC(N)CC1=CC=CC=C1,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",KWTSXDURSIMDCE,UHFFFAOYSA,N,Amphetamine,KWTSXDURSIMDCE-UHFFFAOYSA-N
HMDB14329,767.331246891,C37H49N7O9S,CSCC[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CCNC(=O)OCC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C37H49N7O9S/c1-22(2)21-53-37(52)39-15-13-31(45)41-29(18-24-20-40-26-12-8-7-11-25(24)26)35(50)42-27(14-16-54-3)34(49)44-30(19-32(46)47)36(51)43-28(33(38)48)17-23-9-5-4-6-10-23/h4-12,20,22,27-30,40H,13-19,21H2,1-3H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t27-,28-,29-,30-/m0/s1",ALXRNCVIQSDJAO,KRCBVYEFSA,N,Pentagastrin,ALXRNCVIQSDJAO-KRCBVYEFSA-N
HMDB14330,162.115698458,C10H14N2,CN1CCCC1C1=CN=CC=C1,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV,UHFFFAOYSA,N,Nicotine,SNICXCGAKADSCV-UHFFFAOYSA-N
HMDB14331,199.103084861,C10H17NOS,CC1O[C@@]2(CS1)CN1CCC2CC1,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8?,10-/m1/s1",WUTYZMFRCNBCHQ,LHIURRSHSA,N,Cevimeline,WUTYZMFRCNBCHQ-LHIURRSHSA-N
HMDB14332,320.011932988,C15H10Cl2N2O2,OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2,"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",DIWRORZWFLOCLC,UHFFFAOYSA,N,Lorazepam,DIWRORZWFLOCLC-UHFFFAOYSA-N
HMDB14333,295.178358293,C16H25NO4,COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1,"InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3",AQNDDEOPVVGCPG,UHFFFAOYSA,N,Esmolol,AQNDDEOPVVGCPG-UHFFFAOYSA-N
HMDB14334,384.196885774,C19H25BN4O4,CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O,"InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1",GXJABQQUPOEUTA,RDJZCZTQSA,N,Bortezomib,GXJABQQUPOEUTA-RDJZCZTQSA-N
HMDB14335,144.034192617,C7H9ClO,[H]C(Cl)=CC(O)(CC)C#C,"InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3",ZEHYJZXQEQOSON,UHFFFAOYSA,N,Ethchlorvynol,ZEHYJZXQEQOSON-UHFFFAOYSA-N
HMDB14336,244.105921632,C10H16N2O5,O.C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O,"InChI=1S/C10H14N2O4.H2O/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;/h2-4,12-14H,5,11H2,1H3,(H,15,16);1H2/t10-;/m0./s1",QTAOMKOIBXZKND,PPHPATTJSA,N,Carbidopa,QTAOMKOIBXZKND-PPHPATTJSA-N
HMDB14337,149.120449485,C10H15N,CC(C)(N)CC1=CC=CC=C1,"InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3",DHHVAGZRUROJKS,UHFFFAOYSA,N,Phentermine,DHHVAGZRUROJKS-UHFFFAOYSA-N
HMDB14338,308.1888634,C20H24N2O,CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12,"InChI=1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23)",UCEWGESNIULAGX,UHFFFAOYSA,N,Indecainide,UCEWGESNIULAGX-UHFFFAOYSA-N
HMDB14339,263.188529049,C16H25NO2,COC1=CC=CC(=C1)[C@@]1(O)CCCC[C@@H]1CN(C)C,"InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1",TVYLLZQTGLZFBW,ZBFHGGJFSA,N,Tramadol,TVYLLZQTGLZFBW-ZBFHGGJFSA-N
HMDB14340,267.096753929,C10H13N5O4,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1",OIRDTQYFTABQOQ,UHTZMRCNSA,N,Vidarabine,OIRDTQYFTABQOQ-UHTZMRCNSA-N
HMDB14341,307.214743799,C18H29NO3,CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3",NWIUTZDMDHAVTP,UHFFFAOYSA,N,Betaxolol,NWIUTZDMDHAVTP-UHFFFAOYSA-N
HMDB14342,306.104065446,C13H12F2N6O,OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,"InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2",RFHAOTPXVQNOHP,UHFFFAOYSA,N,Fluconazole,RFHAOTPXVQNOHP-UHFFFAOYSA-N
HMDB14343,312.204907394,C16H28N2O4,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,"InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1",VSZGPKBBMSAYNT,RRFJBIMHSA,N,Oseltamivir,VSZGPKBBMSAYNT-RRFJBIMHSA-N
HMDB14344,733.461241235,C37H67NO13,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",ULGZDMOVFRHVEP,RWJQBGPGSA,N,Erythromycin,ULGZDMOVFRHVEP-RWJQBGPGSA-N
HMDB14345,1345.567070949,C62H89CoN13O15P,[H]O[Co+]N1\C2=C(C)/C3=N/C(=C\C4=N\C(=C(C)/C5=N[C@@](C)([C@@]1([H])[C@H](CC(=O)N)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO)N1C=NC2=CC(C)=C(C)C=C12)[C@@](C)(CC(N)=O)[C@@H]5CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)/C(C)(C)[C@@H]3CCC(=O)N,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",YOZNUFWCRFCGIH,WZHZPDAFSA,K,Hydroxocobalamin,YOZNUFWCRFCGIH-WZHZPDAFSA-K
HMDB14347,290.220557458,C14H30N2O4,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,"InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2",AXOIZCJOOAYSMI,UHFFFAOYSA,N,Succinylcholine,AXOIZCJOOAYSMI-UHFFFAOYSA-N
HMDB14349,441.139212369,C19H27N3O5S2,CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1,"InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3",IXTMWRCNAAVVAI,UHFFFAOYSA,N,Dofetilide,IXTMWRCNAAVVAI-UHFFFAOYSA-N
HMDB14350,248.082874143,C12H13ClN4,CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1,"InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)",WKSAUQYGYAYLPV,UHFFFAOYSA,N,Pyrimethamine,WKSAUQYGYAYLPV-UHFFFAOYSA-N
HMDB14351,608.273380888,C33H40N2O9,[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2,"InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1",QEVHRUUCFGRFIF,MDEJGZGSSA,N,Reserpine,QEVHRUUCFGRFIF-MDEJGZGSSA-N
HMDB14352,748.508525778,C38H72N2O12,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",MQTOSJVFKKJCRP,BICOPXKESA,N,Azithromycin,MQTOSJVFKKJCRP-BICOPXKESA-N
HMDB14353,263.05354785,C14H14ClNS,ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2,"InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2",PHWBOXQYWZNQIN,UHFFFAOYSA,N,Ticlopidine,PHWBOXQYWZNQIN-UHFFFAOYSA-N
HMDB14354,392.222568831,C25H30NO3,OC(C(=O)OC1CC2CCC(C1)[N+]21CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1",OYYDSUSKLWTMMQ,UHFFFAOYSA,N,Trospium,OYYDSUSKLWTMMQ-UHFFFAOYSA-N
HMDB14355,412.203844762,C28H28O3,COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2,"InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)",LZCDAPDGXCYOEH,UHFFFAOYSA,N,Adapalene,LZCDAPDGXCYOEH-UHFFFAOYSA-N
HMDB14356,254.126657074,C12H18N2O4,COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1,"InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)",PTKSEFOSCHHMPD,UHFFFAOYSA,N,Midodrine,PTKSEFOSCHHMPD-UHFFFAOYSA-N
HMDB14357,630.345106042,C33H50N4O6S,CC(C)(C)S(=O)(=O)C[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](O)C1CC1,"InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28-,29+,30-/m0/s1",UXIGZRQVLGFTOU,PUNKFERVSA,N,Remikiren,UXIGZRQVLGFTOU-PUNKFERVSA-N
HMDB14359,348.125611216,C16H20N4O3S,CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1,"InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)",NGBFQHCMQULJNZ,UHFFFAOYSA,N,Torasemide,NGBFQHCMQULJNZ-UHFFFAOYSA-N
HMDB14361,382.171498776,C22H26N2O2S,CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2,"InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1",PWVXXGRKLHYWKM,LJQANCHMSA,N,Eletriptan,PWVXXGRKLHYWKM-LJQANCHMSA-N
HMDB14362,177.126597495,C10H15N3,CN\C(NCC1=CC=CC=C1)=N/C,"InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)",NIVZHWNOUVJHKV,UHFFFAOYSA,N,Bethanidine,NIVZHWNOUVJHKV-UHFFFAOYSA-N
HMDB14363,401.175084476,C21H24FN3O4,[H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1",FABPRXSRWADJSP,MEDUHNTESA,N,Moxifloxacin,FABPRXSRWADJSP-MEDUHNTESA-N
HMDB14364,348.253868959,C21H34NO3,CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1",GFRUPHOKLBPHTQ,UHFFFAOYSA,N,Oxyphenonium,GFRUPHOKLBPHTQ-UHFFFAOYSA-N
HMDB14365,567.313077633,C32H45N3O4S,[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C,"InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1",QAGYKUNXZHXKMR,HKWSIXNMSA,N,Nelfinavir,QAGYKUNXZHXKMR-HKWSIXNMSA-N
HMDB14366,239.152143543,C13H21NO3,CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1,"InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3",HUYWAWARQUIQLE,UHFFFAOYSA,N,Isoetharine,HUYWAWARQUIQLE-UHFFFAOYSA-N
HMDB14367,490.224990908,C24H34N4O5S,CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O,"InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)",WIGIZIANZCJQQY,UHFFFAOYSA,N,Glimepiride,WIGIZIANZCJQQY-UHFFFAOYSA-N
HMDB14368,410.190480416,C22H28F2O5,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1",WXURHACBFYSXBI,XHIJKXOTSA,N,Diflorasone,WXURHACBFYSXBI-XHIJKXOTSA-N
HMDB14369,613.362805017,C36H47N5O4,CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12,"InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1",CBVCZFGXHXORBI,PXQQMZJSSA,N,Indinavir,CBVCZFGXHXORBI-PXQQMZJSSA-N
HMDB14370,592.11281,C16H28GdN5O9,[Gd+3]1234567[N](CC(=[O]1)NC)(CC[N]2(CC(=O)[O-]3)CC[N]4(CC(=[O]5)NC)CC(=O)[O-]6)CC(=O)[O-]7.[H]O[H],"InChI=1S/C16H29N5O8.Gd.H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;1H2/q;+3;/p-3",XPCLDSMKWNNKOM,UHFFFAOYSA,K,Gadodiamide,XPCLDSMKWNNKOM-UHFFFAOYSA-K
HMDB14371,213.147726867,C10H19N3O2,NC(N)=NCC1COC2(CCCCC2)O1,"InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)",HPBNRIOWIXYZFK,UHFFFAOYSA,N,Guanadrel Sulfate,HPBNRIOWIXYZFK-UHFFFAOYSA-N
HMDB14372,404.256274262,C24H36O5,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC,"InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1",PCZOHLXUXFIOCF,BXMDZJJMSA,N,Lovastatin,PCZOHLXUXFIOCF-BXMDZJJMSA-N
HMDB14373,183.971433418,C3H2ClF5O,FC(F)OC(F)(F)C(F)Cl,"InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H",JPGQOUSTVILISH,UHFFFAOYSA,N,Enflurane,JPGQOUSTVILISH-UHFFFAOYSA-N
HMDB14374,525.103512339,C18H23N9O4S3,[H][C@]12SCC(CSC3=NN=NN3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)CC1=CSC(N)=N1)C(O)=O,"InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1",QYQDKDWGWDOFFU,IUODEOHRSA,N,Cefotiam,QYQDKDWGWDOFFU-IUODEOHRSA-N
HMDB14375,159.125928793,C8H17NO2,CC(C)C[C@H](CN)CC(O)=O,"InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1",AYXYPKUFHZROOJ,ZETCQYMHSA,N,Pregabalin,AYXYPKUFHZROOJ-ZETCQYMHSA-N
HMDB14376,300.066555377,C16H13ClN2O2,CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1,"InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3",SEQDDYPDSLOBDC,UHFFFAOYSA,N,Temazepam,SEQDDYPDSLOBDC-UHFFFAOYSA-N
HMDB14377,358.956802649,C9H11Cl2N3O4S2,CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O,"InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)",CESYKOGBSMNBPD,UHFFFAOYSA,N,Methyclothiazide,CESYKOGBSMNBPD-UHFFFAOYSA-N
HMDB14378,153.042593095,C7H7NO3,NC1=CC(O)=C(C=C1)C(O)=O,"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)",WUBBRNOQWQTFEX,UHFFFAOYSA,N,Aminosalicylic Acid,WUBBRNOQWQTFEX-UHFFFAOYSA-N
HMDB14379,313.167793607,C19H23NO3,[H][C@]1(CNCCO1)[C@@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1,"InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1",CBQGYUDMJHNJBX,OALUTQOASA,N,Reboxetine,CBQGYUDMJHNJBX-OALUTQOASA-N
HMDB14380,211.074561925,C12H9N3O,CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1,"InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)",PZRHRDRVRGEVNW,UHFFFAOYSA,N,Milrinone,PZRHRDRVRGEVNW-UHFFFAOYSA-N
HMDB14381,353.95785306,C10H16Br2N2O2,BrCCC(=O)N1CCN(CC1)C(=O)CCBr,InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2,NJBFOOCLYDNZJN,UHFFFAOYSA,N,Pipobroman,NJBFOOCLYDNZJN-UHFFFAOYSA-N
HMDB14382,212.116092388,C10H16N2O3,CCC(C)C1(CC)C(=O)NC(=O)NC1=O,"InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)",ZRIHAIZYIMGOAB,UHFFFAOYSA,N,Butabarbital,ZRIHAIZYIMGOAB-UHFFFAOYSA-N
HMDB14383,266.11676109,C15H14N4O,CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1,"InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)",NQDJXKOVJZTUJA,UHFFFAOYSA,N,Nevirapine,NQDJXKOVJZTUJA-UHFFFAOYSA-N
HMDB14384,426.981272881,C18H13Cl4N3O,ClC1=CC(Cl)=C(CO\N=C(\CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18-",QRJJEGAJXVEBNE,MOHJPFBDSA,N,Oxiconazole,QRJJEGAJXVEBNE-MOHJPFBDSA-N
HMDB14385,408.170351745,C22H29ClO5,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1",FJXOGVLKCZQRDN,PHCHRAKRSA,N,Alclometasone,FJXOGVLKCZQRDN-PHCHRAKRSA-N
HMDB14386,224.116092388,C11H16N2O3,CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",UZVHFVZFNXBMQJ,UHFFFAOYSA,N,Butalbital,UZVHFVZFNXBMQJ-UHFFFAOYSA-N
HMDB14387,285.062866982,C10H12ClN5O3,NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1,"InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1",PTOAARAWEBMLNO,KVQBGUIXSA,N,Cladribine,PTOAARAWEBMLNO-KVQBGUIXSA-N
HMDB14388,427.247106559,C24H33N3O4,COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1,"InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)",XKLMZUWKNUAPSZ,UHFFFAOYSA,N,Ranolazine,XKLMZUWKNUAPSZ-UHFFFAOYSA-N
HMDB14389,153.042593095,C7H7NO3,NC1=CC(C(O)=O)=C(O)C=C1,"InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)",KBOPZPXVLCULAV,UHFFFAOYSA,N,Mesalazine,KBOPZPXVLCULAV-UHFFFAOYSA-N
HMDB14390,307.193614427,C21H25NO,[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C,"InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+",GIJXKZJWITVLHI,PMOLBWCYSA,N,Benzatropine,GIJXKZJWITVLHI-PMOLBWCYSA-N
HMDB14391,412.112459711,C21H21ClN4OS,ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1,"InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)",MVWVFYHBGMAFLY,UHFFFAOYSA,N,Ziprasidone,MVWVFYHBGMAFLY-UHFFFAOYSA-N
HMDB14392,353.210327123,C21H27N3O2,[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO,"InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15?,19-/m1/s1",KPJZHOPZRAFDTN,NQUBZZJWSA,N,Methysergide,KPJZHOPZRAFDTN-NQUBZZJWSA-N
HMDB14393,451.294725453,C26H37N5O2,[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC,"InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1",KORNTPPJEAJQIU,KJXAQDMKSA,N,Cabergoline,KORNTPPJEAJQIU-KJXAQDMKSA-N
HMDB14394,353.971264892,C9H11IN2O5,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(I)C(=O)NC1=O,"InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",XQFRJNBWHJMXHO,RRKCRQDMSA,N,Idoxuridine,XQFRJNBWHJMXHO-RRKCRQDMSA-N
HMDB14395,248.061948328,C12H12N2O2S,NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",MQJKPEGWNLWLTK,UHFFFAOYSA,N,Dapsone,MQJKPEGWNLWLTK-UHFFFAOYSA-N
HMDB14396,531.180395297,C26H31Cl2N5O3,CC(C)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1",BLSQLHNBWJLIBQ,OZXSUGGESA,N,Terconazole,BLSQLHNBWJLIBQ-OZXSUGGESA-N
HMDB14397,252.089877638,C15H12N2O2,O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)",CXOFVDLJLONNDW,UHFFFAOYSA,N,Phenytoin,CXOFVDLJLONNDW-UHFFFAOYSA-N
HMDB14398,344.23514489,C22H32O3,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C,"InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1",GZENKSODFLBBHQ,ILSZZQPISA,N,Medrysone,GZENKSODFLBBHQ-ILSZZQPISA-N
HMDB14399,444.153265754,C22H24N2O8,[H][C@@]12[C@@H](C)C3=C(C(O)=CC=C3)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1",JBIWCJUYHHGXTC,AKNGSSGZSA,N,Doxycycline,JBIWCJUYHHGXTC-AKNGSSGZSA-N
HMDB14400,268.146329884,C18H20O2,CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3",RGLYKWWBQGJZGM,UHFFFAOYSA,N,Diethylstilbestrol,RGLYKWWBQGJZGM-UHFFFAOYSA-N
HMDB14401,602.258793456,C29H38N4O10,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C,"InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34,36-37,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1",AHEVKYYGXVEWNO,UEPZRUIBSA,N,Lymecycline,AHEVKYYGXVEWNO-UEPZRUIBSA-N
HMDB14404,172.0306482,C6H8N2O2S,NC1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",FDDDEECHVMSUSB,UHFFFAOYSA,N,Sulfanilamide,FDDDEECHVMSUSB-UHFFFAOYSA-N
HMDB14405,102.042927446,C3H6N2O2,N[C@@H]1CONC1=O,"InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1",DYDCUQKUCUHJBH,UWTATZPHSA,N,Cycloserine,DYDCUQKUCUHJBH-UWTATZPHSA-N
HMDB14406,254.996617275,C10H7Cl2N3O,ClC1=CC=C2N=C3NC(=O)CN3CC2=C1Cl,"InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)",OTBXOEAOVRKTNQ,UHFFFAOYSA,N,Anagrelide,OTBXOEAOVRKTNQ-UHFFFAOYSA-N
HMDB14407,213.007181961,C5H9Cl2N3O2,ClCCNC(=O)N(CCCl)N=O,"InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)",DLGOEMSEDOSKAD,UHFFFAOYSA,N,Carmustine,DLGOEMSEDOSKAD-UHFFFAOYSA-N
HMDB14408,267.067761987,C11H13N3O3S,CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C,"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3",NHUHCSRWZMLRLA,UHFFFAOYSA,N,Sulfisoxazole,NHUHCSRWZMLRLA-UHFFFAOYSA-N
HMDB14410,203.131014171,C13H17NO,CCN(C(=O)C=CC)C1=CC=CC=C1C,"InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3",DNTGGZPQPQTDQF,UHFFFAOYSA,N,Crotamiton,DNTGGZPQPQTDQF-UHFFFAOYSA-N
HMDB14411,336.063388116,C19H12O6,OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC2=C1C=CC=C2,"InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2",DOBMPNYZJYQDGZ,UHFFFAOYSA,N,Dicumarol,DOBMPNYZJYQDGZ-UHFFFAOYSA-N
HMDB14412,511.051476769,C16H17N9O5S3,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1",HJJDBAOLQAWBMH,YCRCPZNHSA,N,Cefmenoxime,HJJDBAOLQAWBMH-YCRCPZNHSA-N
HMDB14413,260.1888634,C16H24N2O,CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1,"InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)",UHSKFQJFRQCDBE,UHFFFAOYSA,N,Ropinirole,UHSKFQJFRQCDBE-UHFFFAOYSA-N
HMDB14414,380.117922245,C23H21ClO3,COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1,"InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3",BFPSDSIWYFKGBC,UHFFFAOYSA,N,Chlorotrianisene,BFPSDSIWYFKGBC-UHFFFAOYSA-N
HMDB14415,371.148120797,C19H21N3O5,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C,"InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3",HMJIYCCIJYRONP,UHFFFAOYSA,N,Isradipine,HMJIYCCIJYRONP-UHFFFAOYSA-N
HMDB14416,613.769637046,C11H9I3N2O4,CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",YVPYQUNUQOZFHG,UHFFFAOYSA,N,Diatrizoate,YVPYQUNUQOZFHG-UHFFFAOYSA-N
HMDB14417,111.079647303,C5H9N3,NCCC1=CC=NN1,"InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)",JXDFEQONERDKSS,UHFFFAOYSA,N,Betazole,JXDFEQONERDKSS-UHFFFAOYSA-N
HMDB14419,471.045328759,C15H17N7O5S3,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O,"InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1",SNBUBQHDYVFSQF,HIFRSBDPSA,N,Cefmetazole,SNBUBQHDYVFSQF-HIFRSBDPSA-N
HMDB14420,446.206638728,C24H26N6O3,CCCC1=NC(=C(N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)C(O)=O)C(C)(C)O,"InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)",VTRAEEWXHOVJFV,UHFFFAOYSA,N,Olmesartan,VTRAEEWXHOVJFV-UHFFFAOYSA-N
HMDB14421,393.114712179,C21H19N3O3S,COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=CC(NS(C)(=O)=O)=C1,"InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)",XCPGHVQEEXUHNC,UHFFFAOYSA,N,Amsacrine,XCPGHVQEEXUHNC-UHFFFAOYSA-N
HMDB14423,508.246788982,C23H36N6O5S,C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=C1NC[C@H](C)C2,"InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15-,17+,18-/m1/s1",KXNPVXPOPUZYGB,XYVMCAHJSA,N,Argatroban,KXNPVXPOPUZYGB-XYVMCAHJSA-N
HMDB14425,339.231062565,C21H29N3O,CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C,"InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)",UVTNFZQICZKOEM,UHFFFAOYSA,N,Disopyramide,UVTNFZQICZKOEM-UHFFFAOYSA-N
HMDB14426,234.173213336,C14H22N2O,CCN(CC)CC(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)",NNJVILVZKWQKPM,UHFFFAOYSA,N,Lidocaine,NNJVILVZKWQKPM-UHFFFAOYSA-N
HMDB14427,235.001074735,C3H11NO7P2,NCCC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)",WRUUGTRCQOWXEG,UHFFFAOYSA,N,Pamidronate,WRUUGTRCQOWXEG-UHFFFAOYSA-N
HMDB14428,343.170292166,C21H26ClNO,CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1",YNNUSGIPVFPVBX,NHCUHLMSSA,N,Clemastine,YNNUSGIPVFPVBX-NHCUHLMSSA-N
HMDB14429,645.248013577,C25H43NO18,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1",XUFXOAAUWZOOIT,JMPDRRIHSA,N,Acarbose,XUFXOAAUWZOOIT-JMPDRRIHSA-N
HMDB14432,500.238573467,C26H35F3O6,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1",MKPLKVHSHYCHOC,AHTXBMBWSA,N,Travoprost,MKPLKVHSHYCHOC-AHTXBMBWSA-N
HMDB14433,502.236681679,C28H35FO7,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC1(CCCC1)O2)C(=O)COC(C)=O,"InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1",ILKJAFIWWBXGDU,MOGDOJJUSA,N,Amcinonide,ILKJAFIWWBXGDU-MOGDOJJUSA-N
HMDB14434,255.162314299,C17H21NO,CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1,"InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1",VHGCDTVCOLNTBX,QGZVFWFLSA,N,Atomoxetine,VHGCDTVCOLNTBX-QGZVFWFLSA-N
HMDB14435,1414.518979905,C55H84N17O21S3,C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)C1=C(C)C(N)=NC(=N1)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CN=CN1)C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C,"InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,53?,54?/m0/s1",OYVAGSVQBOHSSS,WXFSZRTFSA,O,Bleomycin,OYVAGSVQBOHSSS-WXFSZRTFSA-O
HMDB14436,303.079284271,C14H19Cl2NO2,OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl,"InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)",JCKYGMPEJWAADB,UHFFFAOYSA,N,Chlorambucil,JCKYGMPEJWAADB-UHFFFAOYSA-N
HMDB14437,244.121177766,C14H16N2O2,CCOC(=O)C1=CN=CN1[C@H](C)C1=CC=CC=C1,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1",NPUKDXXFDDZOKR,LLVKDONJSA,N,Etomidate,NPUKDXXFDDZOKR-LLVKDONJSA-N
HMDB14438,458.126005146,C21H22N4O6S,CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1",IVTVGDXNLFLDRM,HNNXBMFYSA,N,Raltitrexed,IVTVGDXNLFLDRM-HNNXBMFYSA-N
HMDB14439,324.20893014,C22H28O2,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",GCKFUYQCUCGESZ,BPIQYHPVSA,N,Etonogestrel,GCKFUYQCUCGESZ-BPIQYHPVSA-N
HMDB14440,285.136493479,C17H19NO3,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1",BQJCRHHNABKAKU,KBQPJGBKSA,N,Morphine,BQJCRHHNABKAKU-KBQPJGBKSA-N
HMDB14441,274.204513464,C17H26N2O,CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1",ZKMNUMMKYBVTFN,HNNXBMFYSA,N,Ropivacaine,ZKMNUMMKYBVTFN-HNNXBMFYSA-N
HMDB14442,288.220163528,C18H28N2O,CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)",LEBVLXFERQHONN,UHFFFAOYSA,N,Bupivacaine,LEBVLXFERQHONN-UHFFFAOYSA-N
HMDB14443,325.226645889,C19H27N5,CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1,"InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3",RFWZESUMWJKKRN,UHFFFAOYSA,N,Dapiprazole,RFWZESUMWJKKRN-UHFFFAOYSA-N
HMDB14444,253.117489371,C10H15N5O3,NC1=NC(=O)C2=C(N1)N(CCC(CO)CO)C=N2,"InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)",JNTOCHDNEULJHD,UHFFFAOYSA,N,Penciclovir,JNTOCHDNEULJHD-UHFFFAOYSA-N
HMDB14445,287.078340473,C9H14N5O4P,C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(O)(O)=O,"InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1",SGOIRFVFHAKUTI,ZCFIWIBFSA,N,Tenofovir,SGOIRFVFHAKUTI-ZCFIWIBFSA-N
HMDB14446,453.056147271,C19H17ClFN3O5S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(F)C=CC=C1Cl)C(O)=O,"InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",UIOFUWFRIANQPC,JKIFEVAISA,N,Flucloxacillin,UIOFUWFRIANQPC-JKIFEVAISA-N
HMDB14447,157.110278729,C8H15NO2,NC[C@H]1CC[C@@H](CC1)C(O)=O,"InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-",GYDJEQRTZSCIOI,LJGSYFOKSA,N,Tranexamic Acid,GYDJEQRTZSCIOI-LJGSYFOKSA-N
HMDB14448,475.141320859,C22H25N3O7S,[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@@]([H])(C3)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,"InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1",JUZNIMUFDBIJCM,ANEDZVCMSA,N,Ertapenem,JUZNIMUFDBIJCM-ANEDZVCMSA-N
HMDB14449,310.229665582,C22H30O,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H],"InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",RPLCPCMSCLEKRS,BPIQYHPVSA,N,Desogestrel,RPLCPCMSCLEKRS-BPIQYHPVSA-N
HMDB14450,334.127719706,C15H18N4O5,CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O,"InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1",NWIBSHFKIJFRCO,WUDYKRTCSA,N,Mitomycin,NWIBSHFKIJFRCO-WUDYKRTCSA-N
HMDB14451,252.147392516,C13H20N2O3,CCC(C)C1(CC=C)C(=O)N(C)C(=O)N(C)C1=O,"InChI=1S/C13H20N2O3/c1-6-8-13(9(3)7-2)10(16)14(4)12(18)15(5)11(13)17/h6,9H,1,7-8H2,2-5H3",CDKJETHMMUVSNV,UHFFFAOYSA,N,Talbutal,CDKJETHMMUVSNV-UHFFFAOYSA-N
HMDB14452,348.20893014,C24H28O2,CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C,"InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)",NAVMQTYZDKMPEU,UHFFFAOYSA,N,Bexarotene,NAVMQTYZDKMPEU-UHFFFAOYSA-N
HMDB14453,384.244663718,C20H36N2O3S,CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1,"InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3",ALOBUEHUHMBRLE,UHFFFAOYSA,N,Ibutilide,ALOBUEHUHMBRLE-UHFFFAOYSA-N
HMDB14454,753.410149139,C43H55N5O7,[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC,"InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1",HHJUWIANJFBDHT,KOTLKJBCSA,N,Vindesine,HHJUWIANJFBDHT-KOTLKJBCSA-N
HMDB14455,338.012805247,C14H11ClN2O4S,NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12,"InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)",JIVPVXMEBJLZRO,UHFFFAOYSA,N,Chlorthalidone,JIVPVXMEBJLZRO-UHFFFAOYSA-N
HMDB14456,258.013283576,C9H10N2O3S2,CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O,"InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)",OUZWUKMCLIBBOG,UHFFFAOYSA,N,Ethoxzolamide,OUZWUKMCLIBBOG-UHFFFAOYSA-N
HMDB14457,226.131742452,C11H18N2O3,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",WEXRUCMBJFQVBZ,UHFFFAOYSA,N,Pentobarbital,WEXRUCMBJFQVBZ-UHFFFAOYSA-N
HMDB14459,1320.698394286,C50H88N28O15,[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O,"InChI=1S/C25H44N14O8.C25H44N14O7/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b15-9+;16-10+/t11-,12-,13+,14-,16-,18-;11-,12-,13-,14+,15-,18-/m00/s1",VCOPTHOUUNAYKQ,WBTCAYNUSA,N,Capreomycin,VCOPTHOUUNAYKQ-WBTCAYNUSA-N
HMDB14460,287.163376931,C16H21N3O2,CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12,"InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1",ULSDMUVEXKOYBU,ZDUSSCGKSA,N,Zolmitriptan,ULSDMUVEXKOYBU-ZDUSSCGKSA-N
HMDB14462,446.152096566,C22H24ClFN4O3,COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1,"InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)",XGALLCVXEZPNRQ,UHFFFAOYSA,N,Gefitinib,XGALLCVXEZPNRQ-UHFFFAOYSA-N
HMDB14464,517.163118933,C23H27N5O7S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1",IVBHGBMCVLDMKU,GXNBUGAJSA,N,Piperacillin,IVBHGBMCVLDMKU-GXNBUGAJSA-N
HMDB14465,583.279469319,C33H37N5O5,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O,"InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1",LUZRJRNZXALNLM,JGRZULCMSA,N,Dihydroergotamine,LUZRJRNZXALNLM-JGRZULCMSA-N
HMDB14466,277.183049741,C20H23N,CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3",KRMDCWKBEZIMAB,UHFFFAOYSA,N,Amitriptyline,KRMDCWKBEZIMAB-UHFFFAOYSA-N
HMDB14467,246.065199677,C9H11FN2O5,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O,"InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",ODKNJVUHOIMIIZ,RRKCRQDMSA,N,Floxuridine,ODKNJVUHOIMIIZ-RRKCRQDMSA-N
HMDB14468,273.063722467,C14H11NO5,CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(O)=C1)[N+]([O-])=O,"InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3",MIQPIUSUKVNLNT,UHFFFAOYSA,N,Tolcapone,MIQPIUSUKVNLNT-UHFFFAOYSA-N
HMDB14469,376.204987621,C22H29FO4,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1",FAOZLTXFLGPHNG,KNAQIMQKSA,N,Fluorometholone,FAOZLTXFLGPHNG-KNAQIMQKSA-N
HMDB14470,215.948300785,C5FeN6O,O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N,InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1,ASPOIVQEUUCDQT,UHFFFAOYSA,N,Nitroprusside,ASPOIVQEUUCDQT-UHFFFAOYSA-N
HMDB14471,490.084675939,C14H26CaO16,[Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O,"InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1",FATUQANACHZLRT,KMRXSBRUSA,L,Calcium Gluceptate,FATUQANACHZLRT-KMRXSBRUSA-L
HMDB14472,285.136493479,C17H19NO3,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1",WVLOADHCBXTIJK,YNHQPCIGSA,N,Hydromorphone,WVLOADHCBXTIJK-YNHQPCIGSA-N
HMDB14473,357.076785712,C19H16ClNO4,COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",CGIGDMFJXJATDK,UHFFFAOYSA,N,Indomethacin,CGIGDMFJXJATDK-UHFFFAOYSA-N
HMDB14474,204.183778022,C10H24N2O2,CC[C@@H](CO)NCCN[C@@H](CC)CO,"InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1",AEUTYOVWOVBAKS,UWVGGRQHSA,N,Ethambutol,AEUTYOVWOVBAKS-UWVGGRQHSA-N
HMDB14476,411.140906478,C20H30BrNO3,[Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N@+]2(C)C(C)C,"InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21+;",LHLMOSXCXGLMMN,VVQPYUEFSA,M,Ipratropium bromide,LHLMOSXCXGLMMN-VVQPYUEFSA-M
HMDB14477,309.209264491,C21H27NO,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3",USSIQXCVUWKGNF,UHFFFAOYSA,N,Methadone,USSIQXCVUWKGNF-UHFFFAOYSA-N
HMDB14480,198.0389047,C6H6N4O4,NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O,"InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+",IAIWVQXQOWNYOU,FPYGCLRLSA,N,Nitrofurazone,IAIWVQXQOWNYOU-FPYGCLRLSA-N
HMDB14481,809.44808973,C43H68ClNO11,[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@@H](C)[C@@H](O)CC(=O)[C@H](CC)\C=C(C)/C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@H](Cl)[C@@H](C1)OC,"InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18-,26-20+/t25-,27+,28-,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1",KASDHRXLYQOAKZ,KDCWXYOMSA,N,Pimecrolimus,KASDHRXLYQOAKZ-KDCWXYOMSA-N
HMDB14483,123.043261797,C5H5N3O,NC(=O)C1=NC=CN=C1,"InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)",IPEHBUMCGVEMRF,UHFFFAOYSA,N,Pyrazinamide,IPEHBUMCGVEMRF-UHFFFAOYSA-N
HMDB14484,309.155120431,C20H23NS,CN1CCCC(CC2C3=CC=CC=C3SC3=CC=CC=C23)C1,"InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3",MJFJKKXQDNNUJF,UHFFFAOYSA,N,Metixene,MJFJKKXQDNNUJF-UHFFFAOYSA-N
HMDB14486,471.313729561,C32H41NO2,CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3",GUGOEEXESWIERI,UHFFFAOYSA,N,Terfenadine,GUGOEEXESWIERI-UHFFFAOYSA-N
HMDB14487,414.16132802,C22H26N2O4S,COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O,"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1",HSUGRBWQSSZJOP,RTWAWAEBSA,N,Diltiazem,HSUGRBWQSSZJOP-RTWAWAEBSA-N
HMDB14488,263.167399677,C19H21N,CNCCCC1C2=CC=CC=C2C=CC2=CC=CC=C12,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3",BWPIARFWQZKAIA,UHFFFAOYSA,N,Protriptyline,BWPIARFWQZKAIA-UHFFFAOYSA-N
HMDB14490,389.206304377,C19H27N5O4,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N(C)CCCNC(=O)C1CCCO1,"InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)",WNMJYKCGWZFFKR,UHFFFAOYSA,N,Alfuzosin,WNMJYKCGWZFFKR-UHFFFAOYSA-N
HMDB14491,143.058243159,C6H9NO3,CN1C(=O)OC(C)(C)C1=O,InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3,IRYJRGCIQBGHIV,UHFFFAOYSA,N,Trimethadione,IRYJRGCIQBGHIV-UHFFFAOYSA-N
HMDB14492,329.05110705,C14H10F3NO5,[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O,"InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2",OUBCNLGXQFSTLU,UHFFFAOYSA,N,Nitisinone,OUBCNLGXQFSTLU-UHFFFAOYSA-N
HMDB14493,300.066555377,C16H13ClN2O2,CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O,"InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3",CXOXHMZGEKVPMT,UHFFFAOYSA,N,Clobazam,CXOXHMZGEKVPMT-UHFFFAOYSA-N
HMDB14494,209.127660127,C9H15N5O,NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1,"InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)",ZFMITUMMTDLWHR,UHFFFAOYSA,N,Minoxidil,ZFMITUMMTDLWHR-UHFFFAOYSA-N
HMDB14495,328.203844762,C21H28O3,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,"InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4-5,12,16-18,24H,6-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",JBVNBBXAMBZTMQ,CEGNMAFCSA,N,Megestrol,JBVNBBXAMBZTMQ-CEGNMAFCSA-N
HMDB14496,167.026565875,C5H5N5S,NC1=NC(=S)C2=C(N1)N=CN2,"InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",WYWHKKSPHMUBEB,UHFFFAOYSA,N,Thioguanine,WYWHKKSPHMUBEB-UHFFFAOYSA-N
HMDB14497,339.194677059,C20H25N3O2,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO,"InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1",UNBRKDKAWYKMIV,QWQRMKEZSA,N,Methylergonovine,UNBRKDKAWYKMIV-QWQRMKEZSA-N
HMDB14498,432.233226773,C28H33ClN2,CC(C)(C)C1=CC=C(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3",MOYGZHXDRJNJEP,UHFFFAOYSA,N,Buclizine,MOYGZHXDRJNJEP-UHFFFAOYSA-N
HMDB14499,435.051853925,C13H17N5O8S2,C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(=O)O)\C2=CSC([NH3+])=N2)C(=O)N1S([O-])(=O)=O,"InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1",WZPBZJONDBGPKJ,VEHQQRBSSA,N,Aztreonam,WZPBZJONDBGPKJ-VEHQQRBSSA-N
HMDB14500,168.993056084,C7H4ClNO2,ClC1=CC2=C(OC(=O)N2)C=C1,"InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)",TZFWDZFKRBELIQ,UHFFFAOYSA,N,Chlorzoxazone,TZFWDZFKRBELIQ-UHFFFAOYSA-N
HMDB14501,232.121177766,C13H16N2O2,CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1,"InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)",ROBVIMPUHSLWNV,UHFFFAOYSA,N,Aminoglutethimide,ROBVIMPUHSLWNV-UHFFFAOYSA-N
HMDB14502,378.116682374,C17H16F6N2O,OC(C1CCCCN1)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F,"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2",XEEQGYMUWCZPDN,UHFFFAOYSA,N,Mefloquine,XEEQGYMUWCZPDN-UHFFFAOYSA-N
HMDB14503,250.052446274,C10H10N4O2S,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",SEEPANYCNGTZFQ,UHFFFAOYSA,N,Sulfadiazine,SEEPANYCNGTZFQ-UHFFFAOYSA-N
HMDB14505,778.394164724,C45H54N4O8,[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(CC(CC)=C2)CC2=C1NC1=CC=CC=C21)C(=O)OC,"InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45+/m0/s1",GBABOYUKABKIAF,GHYRFKGUSA,N,Vinorelbine,GBABOYUKABKIAF-GHYRFKGUSA-N
HMDB14506,1139.506293945,C58H73N7O17,[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O,"InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1",JHVAMHSQVVQIOT,MFAJLEFUSA,N,Anidulafungin,JHVAMHSQVVQIOT-MFAJLEFUSA-N
HMDB14507,326.129824335,C18H19ClN4,CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12,"InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3",QZUDBNBUXVUHMW,UHFFFAOYSA,N,Clozapine,QZUDBNBUXVUHMW-UHFFFAOYSA-N
HMDB14508,1447.588619666,C11H28Al8O51S8,O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O,"InChI=1S/C11H20O35S8.8Al.16H2O/c12-47(13,14)36-1-3-4(41-49(18,19)20)5(42-50(21,22)23)6(43-51(24,25)26)9(38-3)39-11(2-37-48(15,16)17)8(45-53(30,31)32)7(44-52(27,28)29)10(40-11)46-54(33,34)35;;;;;;;;;;;;;;;;;;;;;;;;/h3-10H,1-2H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;;;;;;16*1H2/q;8*+3;;;;;;;;;;;;;;;;/p-24/t3-,4-,5+,6-,7+,8+,9+,10-,11-;;;;;;;;;;;;;;;;;;;;;;;;/m1......................../s1",MNQYNQBOVCBZIQ,JQOFMKNESA,A,Sucralfate,MNQYNQBOVCBZIQ-JQOFMKNESA-A
HMDB14509,359.16451979,C19H22FN3O3,CC1CN(CCN1)C1=C(F)C(C)=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O,"InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)",AIJTTZAVMXIJGM,UHFFFAOYSA,N,Grepafloxacin,AIJTTZAVMXIJGM-UHFFFAOYSA-N
HMDB14511,312.20893014,C21H28O2,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",WWYNJERNGUHSAO,XUDSTZEESA,N,Levonorgestrel,WWYNJERNGUHSAO-XUDSTZEESA-N
HMDB14513,279.062021707,C8H14N3O6P,NC1=NC(=O)N(C[C@@H](CO)OCP(O)(O)=O)C=C1,"InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1",VWFCHDSQECPREK,LURJTMIESA,N,Cidofovir,VWFCHDSQECPREK-LURJTMIESA-N
HMDB14514,265.157897623,C17H19N3,CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1,"InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3",RONZAEMNMFQXRA,UHFFFAOYSA,N,Mirtazapine,RONZAEMNMFQXRA-UHFFFAOYSA-N
HMDB14515,218.126657074,C9H18N2O4,CCCC(C)(COC(N)=O)COC(N)=O,"InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)",NPPQSCRMBWNHMW,UHFFFAOYSA,N,Meprobamate,NPPQSCRMBWNHMW-UHFFFAOYSA-N
HMDB14516,399.180289323,C22H29N3S2,CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1,"InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3",XCTYLCDETUVOIP,UHFFFAOYSA,N,Thiethylperazine,XCTYLCDETUVOIP-UHFFFAOYSA-N
HMDB14517,316.156911344,C13H24N4O3S,CC(C)(C)NCC(O)COC1=NSN=C1N1CCOCC1,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3",BLJRIMJGRPQVNF,UHFFFAOYSA,N,Timolol,BLJRIMJGRPQVNF-UHFFFAOYSA-N
HMDB14518,390.240624198,C23H34O5,[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1,"InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1",PAJMKGZZBBTTOY,ZFORQUDYSA,N,Treprostinil,PAJMKGZZBBTTOY-ZFORQUDYSA-N
HMDB14519,281.19823825,C11H28ClN5O,ClCC1CO1.NCCNCCNCCNCCN,"InChI=1S/C8H23N5.C3H5ClO/c9-1-3-11-5-7-13-8-6-12-4-2-10;4-1-3-2-5-3/h11-13H,1-10H2;3H,1-2H2",GMRWGQCZJGVHKL,UHFFFAOYSA,N,Colestipol,GMRWGQCZJGVHKL-UHFFFAOYSA-N
HMDB14520,301.240564619,C20H31NO,OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2",HWHLPVGTWGOCJO,UHFFFAOYSA,N,Trihexyphenidyl,HWHLPVGTWGOCJO-UHFFFAOYSA-N
HMDB14521,296.1888634,C19H24N2O,[H][C@@]12CCCC3=C1C(=CC=C3)C(=O)N(C2)[C@@H]1CN2CCC1CC2,"InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17+/m0/s1",CPZBLNMUGSZIPR,DOTOQJQBSA,N,Palonosetron,CPZBLNMUGSZIPR-DOTOQJQBSA-N
HMDB14522,312.20893014,C21H28O2,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C,"InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1",JGMOKGBVKVMRFX,HQZYFCCVSA,N,Dydrogesterone,JGMOKGBVKVMRFX-HQZYFCCVSA-N
HMDB14523,179.131014171,C11H17NO,CC(N)COC1=C(C)C=CC=C1C,"InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3",VLPIATFUUWWMKC,UHFFFAOYSA,N,Mexiletine,VLPIATFUUWWMKC-UHFFFAOYSA-N
HMDB14524,268.11715502,C11H16N4O4,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1",BMKDZUISNHGIBY,ZETCQYMHSA,N,Dexrazoxane,BMKDZUISNHGIBY-ZETCQYMHSA-N
HMDB14526,198.115698458,C13H14N2,NC1=C2CCCCC2=NC2=CC=CC=C12,"InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)",YLJREFDVOIBQDA,UHFFFAOYSA,N,Tacrine,YLJREFDVOIBQDA-UHFFFAOYSA-N
HMDB14527,344.209992772,C20H28N2O3,CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3",DUDKAZCAISNGQN,UHFFFAOYSA,N,Oxyphencyclimine,DUDKAZCAISNGQN-UHFFFAOYSA-N
HMDB14529,723.213874858,C34H36F3NO13,CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)C2=C(C1)C(O)=C1C(=O)C3=C(C(=O)C1=C2O)C(OC)=CC=C3,"InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14?,17?,19-,22?,27?,33-/m0/s1",ZOCKGBMQLCSHFP,ZQUOIQDWSA,N,Valrubicin,ZOCKGBMQLCSHFP-ZQUOIQDWSA-N
HMDB14531,287.224914555,C19H29NO,OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2",WYDUSKDSKCASEF,UHFFFAOYSA,N,Procyclidine,WYDUSKDSKCASEF-UHFFFAOYSA-N
HMDB14533,186.046298264,C7H10N2O2S,CCOC(=O)N1C=CN(C)C1=S,"InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3",CFOYWRHIYXMDOT,UHFFFAOYSA,N,Carbimazole,CFOYWRHIYXMDOT-UHFFFAOYSA-N
HMDB14535,341.140926929,C15H23N3O4S,CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O,"InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)",BGRJTUBHPOOWDU,UHFFFAOYSA,N,Sulpiride,BGRJTUBHPOOWDU-UHFFFAOYSA-N
HMDB14536,312.166019468,C19H24N2S,CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3",CDOZDBSBBXSXLB,UHFFFAOYSA,N,Ethopropazine,CDOZDBSBBXSXLB-UHFFFAOYSA-N
HMDB14537,418.174001196,C21H26N2O7,COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C,"InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3",UIAGMCDKSXEBJQ,UHFFFAOYSA,N,Nimodipine,UIAGMCDKSXEBJQ-UHFFFAOYSA-N
HMDB14538,520.222781245,C28H37ClO7,[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",KUVIULQEHSCUHY,XYWKZLDCSA,N,Beclometasone dipropionate,KUVIULQEHSCUHY-XYWKZLDCSA-N
HMDB14539,260.173607266,C12H24N2O4,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,"InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)",OFZCIYFFPZCNJE,UHFFFAOYSA,N,Carisoprodol,OFZCIYFFPZCNJE-UHFFFAOYSA-N
HMDB14542,464.08630272,C21H16ClF3N4O3,CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1,"InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)",MLDQJTXFUGDVEO,UHFFFAOYSA,N,Sorafenib,MLDQJTXFUGDVEO-UHFFFAOYSA-N
HMDB14543,271.996323708,C5H10N2O7P2,OC(CN1C=CN=C1)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)",XRASPMIURGNCCH,UHFFFAOYSA,N,Zoledronate,XRASPMIURGNCCH-UHFFFAOYSA-N
HMDB14544,352.071365983,C17H17ClO6,COC1=CC(OC)=C(Cl)C2=C1C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC,"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1",DDUHZTYCFQRHIY,RBHXEPJQSA,N,Griseofulvin,DDUHZTYCFQRHIY-RBHXEPJQSA-N
HMDB14545,388.16343651,C20H24N2O6,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C,"InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3",VKQFCGNPDRICFG,UHFFFAOYSA,N,Nisoldipine,VKQFCGNPDRICFG-UHFFFAOYSA-N
HMDB14546,388.105066147,C17H17ClN6O3,CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1",GBBSUAFBMRNDJC,INIZCTEOSA,N,Eszopiclone,GBBSUAFBMRNDJC-INIZCTEOSA-N
HMDB14547,1351.448537843,C58H73N13O21S2,[H][C@](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1",YRALAIOMGQZKOW,HYAOXDFASA,N,Ceruletide,YRALAIOMGQZKOW-HYAOXDFASA-N
HMDB14548,308.082874143,C17H13ClN4,CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3",VREFGVBLTWBCJP,UHFFFAOYSA,N,Alprazolam,VREFGVBLTWBCJP-UHFFFAOYSA-N
HMDB14549,318.073161265,C16H19BrN2,CN(C)CC[C@@H](C1=CC=C(Br)C=C1)C1=CC=CC=N1,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1",ZDIGNSYAACHWNL,HNNXBMFYSA,N,Dexbrompheniramine,ZDIGNSYAACHWNL-HNNXBMFYSA-N
HMDB14550,372.243972975,C25H30N3,CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C,"InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1",LGLFFNDHMLKUMI,UHFFFAOYSA,N,Gentian Violet,LGLFFNDHMLKUMI-UHFFFAOYSA-N
HMDB14551,1134.006993818,C26H42N2O37S5,CC(=O)NC1C(O)OC(COS(O)(=O)=O)C(OC2OC(C(OC3OC(CO)C(OC4OC(C(O)C(O)C4OS(O)(=O)=O)C(O)=O)C(OS(O)(=O)=O)C3NS(O)(=O)=O)C(O)C2OS(O)(=O)=O)C(O)=O)C1O,"InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)",HTTJABKRGRZYRN,UHFFFAOYSA,N,Ardeparin,HTTJABKRGRZYRN-UHFFFAOYSA-N
HMDB14552,327.11383992,C18H18ClN3O,CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2,"InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3",XJGVXQDUIWGIRW,UHFFFAOYSA,N,Loxapine,XJGVXQDUIWGIRW-UHFFFAOYSA-N
HMDB14553,370.089205259,C16H23BrN2O3,CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC,"InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1",GUJRSXAPGDDABA,NSHDSACASA,N,Remoxipride,GUJRSXAPGDDABA-NSHDSACASA-N
HMDB14554,500.298533006,C26H44O9,C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O,"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1",MINDHVHHQZYEEK,HBBNESRFSA,N,Mupirocin,MINDHVHHQZYEEK-HBBNESRFSA-N
HMDB14555,182.082205441,C6H15ClN2O2,[Cl-].C[N+](C)(C)CCOC(N)=O,"InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H",AIXAANGOTKPUOY,UHFFFAOYSA,N,Carbachol,AIXAANGOTKPUOY-UHFFFAOYSA-N
HMDB14557,211.114318249,C10H17N3S,CCCN[C@H]1CCC2=C(C1)SC(N)=N2,"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1",FASDKYOPVNHBLU,ZETCQYMHSA,N,Pramipexole,FASDKYOPVNHBLU-ZETCQYMHSA-N
HMDB14558,324.114377828,C15H20N2O4S,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,"InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)",VGZSUPCWNCWDAN,UHFFFAOYSA,N,Acetohexamide,VGZSUPCWNCWDAN-UHFFFAOYSA-N
HMDB14559,349.109626801,C16H19N3O4S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1",AVKUERGKIZMTKX,NJBDSQKTSA,N,Ampicillin,AVKUERGKIZMTKX-NJBDSQKTSA-N
HMDB14560,906.160174118,C40H48I2N2O6,[I-].[I-].[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3,"InChI=1S/C40H48N2O6.2HI/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1",DIGFQJFCDPKEPF,OIUSMDOTSA,L,Metocurine Iodide,DIGFQJFCDPKEPF-OIUSMDOTSA-L
HMDB14561,350.093642386,C16H18N2O5S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",BPLBGHOLXOTWMN,MBNYWOFBSA,N,Penicillin V,BPLBGHOLXOTWMN-MBNYWOFBSA-N
HMDB14562,238.131742452,C12H18N2O3,CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",KQPKPCNLIDLUMF,UHFFFAOYSA,N,Secobarbital,KQPKPCNLIDLUMF-UHFFFAOYSA-N
HMDB14563,219.147058165,C10H21NO4,CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,"InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1",UQRORFVVSGFNRO,UTINFBMNSA,N,Miglustat,UQRORFVVSGFNRO-UTINFBMNSA-N
HMDB14564,284.13471934,C17H20N2S,CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3",ZGUGWUXLJSTTMA,UHFFFAOYSA,N,Promazine,ZGUGWUXLJSTTMA-UHFFFAOYSA-N
HMDB14565,416.202130202,C24H32O4S,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O,"InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1",LXMSZDCAJNLERA,ZHYRCANASA,N,Spironolactone,LXMSZDCAJNLERA-ZHYRCANASA-N
HMDB14566,233.141578857,C14H19NO2,COC(=O)C(C1CCCCN1)C1=CC=CC=C1,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3",DUGOZIWVEXMGBE,UHFFFAOYSA,N,Methylphenidate,DUGOZIWVEXMGBE-UHFFFAOYSA-N
HMDB14567,241.095022595,C11H15NO5,COC1=CC=CC=C1OCC(O)COC(N)=O,"InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)",GNXFOGHNGIVQEH,UHFFFAOYSA,N,Methocarbamol,GNXFOGHNGIVQEH-UHFFFAOYSA-N
HMDB14568,289.167793607,C17H23NO3,CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1",RKUNBYITZUJHSG,FXUDXRNXSA,N,Hyoscyamine,RKUNBYITZUJHSG-FXUDXRNXSA-N
HMDB14570,321.143704121,C14H19N5O4,CC(=O)OCC(CCN1C=NC2=CN=C(N)N=C12)COC(C)=O,"InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)",GGXKWVWZWMLJEH,UHFFFAOYSA,N,Famciclovir,GGXKWVWZWMLJEH-UHFFFAOYSA-N
HMDB14571,278.178298714,C19H22N2,CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1,"InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+",CBEQULMOCCWAQT,WOJGMQOQSA,N,Triprolidine,CBEQULMOCCWAQT-WOJGMQOQSA-N
HMDB14572,265.090999849,C8H15N3O7,CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1",ZSJLQEPLLKMAKR,GKHCUFPYSA,N,Streptozocin,ZSJLQEPLLKMAKR-GKHCUFPYSA-N
HMDB14573,489.330167485,C25H47NO8,OCC([NH3+])(CO)CO.CCCCC[C@@](O)(C)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)[O-],"InChI=1S/C21H36O5.C4H11NO3/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25);6-8H,1-3,5H2/b7-5-,14-12+;/t16-,17-,18+,19+,21+;/m1./s1",UMMADZJLZAPZAW,OVXHCKHTSA,N,Carboprost Tromethamine,UMMADZJLZAPZAW-OVXHCKHTSA-N
HMDB14574,612.120936542,C25H24N8O7S2,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)C1=C(O)C=C(C)N=C1)C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1",PWAUCHMQEXVFJR,PMAPCBKXSA,N,Cefpiramide,PWAUCHMQEXVFJR-PMAPCBKXSA-N
HMDB14575,287.860066434,C6H6Cl6,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+",JLYXXMFPNIAWKQ,GNIYUCBRSA,N,Lindane,JLYXXMFPNIAWKQ-GNIYUCBRSA-N
HMDB14576,296.062006087,C10H11F3N2O5,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)F,"InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1",VSQQQLOSPVPRAZ,RRKCRQDMSA,N,Trifluridine,VSQQQLOSPVPRAZ-RRKCRQDMSA-N
HMDB14577,373.13794618,C20H24ClN3S,CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3",WIKYUJGCLQQFNW,UHFFFAOYSA,N,Prochlorperazine,WIKYUJGCLQQFNW-UHFFFAOYSA-N
HMDB14578,287.167399677,C21H21N,CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12,"InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3",JJCFRYNCJDLXIK,UHFFFAOYSA,N,Cyproheptadine,JJCFRYNCJDLXIK-UHFFFAOYSA-N
HMDB14580,421.037781946,C15H14F3N3O4S2,NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F,"InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)",HDWIHXWEUNVBIY,UHFFFAOYSA,N,Bendroflumethiazide,HDWIHXWEUNVBIY-UHFFFAOYSA-N
HMDB14581,136.03851077,C5H4N4O,O=C1N=CN=C2NNC=C12,"InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)",OFCNXPDARWKPPY,UHFFFAOYSA,N,Allopurinol,OFCNXPDARWKPPY-UHFFFAOYSA-N
HMDB14582,546.099138468,C22H22N6O7S2,[O-]C(=O)C1=C(CS[C@]2([H])[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C3=CSC(N)=N3)C(=O)N12)C[N+]1=CC=CC=C1,"InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1",ORFOPKXBNMVMKC,DWVKKRMSSA,N,Ceftazidime,ORFOPKXBNMVMKC-DWVKKRMSSA-N
HMDB14583,290.137890462,C14H18N4O3,COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",IEDVJHCEMCRBQM,UHFFFAOYSA,N,Trimethoprim,IEDVJHCEMCRBQM-UHFFFAOYSA-N
HMDB14584,263.071762265,C9H11F2N3O4,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F,"InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1",SDUQYLNIPVEERB,QPPQHZFASA,N,Gemcitabine,SDUQYLNIPVEERB-QPPQHZFASA-N
HMDB14585,277.117489371,C12H15N5O3,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)C1=C,"InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1",QDGZDCVAUDNJFG,FXQIFTODSA,N,Entecavir,QDGZDCVAUDNJFG-FXQIFTODSA-N
HMDB14586,392.199902243,C22H29FO5,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",UREBDLICKHMUKA,DVTGEIKXSA,N,Betamethasone,UREBDLICKHMUKA-DVTGEIKXSA-N
HMDB14587,656.1563618,C32H32O13S,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])COC(O[C@@]2([H])[C@H](O)[C@H]1O)C1=CC=CS1,"InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31?,32-/m0/s1",NRUKOCRGYNPUPR,PSZSYXFXSA,N,Teniposide,NRUKOCRGYNPUPR-PSZSYXFXSA-N
HMDB14588,543.174060775,C27H29NO11,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1",AOJJSUZBOXZQNB,VTZDEGQISA,N,Epirubicin,AOJJSUZBOXZQNB-VTZDEGQISA-N
HMDB14589,322.012326918,C11H12Cl2N2O5,OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1",WIIZWVCIJKGZOK,RKDXNWHRSA,N,Chloramphenicol,WIIZWVCIJKGZOK-RKDXNWHRSA-N
HMDB14590,349.082933722,C16H16ClN3O4,N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1,"InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1",JAPHQRWPEGVNBT,UTUOFQBUSA,N,Loracarbef,JAPHQRWPEGVNBT-UTUOFQBUSA-N
HMDB14592,351.204573043,C19H29NO5,CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1,"InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3",OCUJLLGVOUDECM,UHFFFAOYSA,N,Dipivefrin,OCUJLLGVOUDECM-UHFFFAOYSA-N
HMDB14593,379.169605168,C22H22FN3O2,FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12,"InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)",RMEDXOLNCUSCGS,UHFFFAOYSA,N,Droperidol,RMEDXOLNCUSCGS-UHFFFAOYSA-N
HMDB14596,508.124858115,C23H25ClN2O9,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O,"InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1",GJGDLRSSCNAKGL,KMVLDZISSA,N,Clomocycline,GJGDLRSSCNAKGL-KMVLDZISSA-N
HMDB14597,247.157228921,C15H21NO2,CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1,"InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3",XADCESSVHJOZHK,UHFFFAOYSA,N,Meperidine,XADCESSVHJOZHK-UHFFFAOYSA-N
HMDB14599,396.044977634,C16H16N2O6S2,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CS1)C(O)=O,"InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1",XIURVHNZVLADCM,IUODEOHRSA,N,Cefalotin,XIURVHNZVLADCM-IUODEOHRSA-N
HMDB14600,383.159354185,C19H21N5O4,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1,"InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)",IENZQIKPVFGBNW,UHFFFAOYSA,N,Prazosin,IENZQIKPVFGBNW-UHFFFAOYSA-N
HMDB14602,326.188194698,C21H26O3,COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1,"InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+",IHUNBGSDBOWDMA,AQFIFDHZSA,N,Acitretin,IHUNBGSDBOWDMA-AQFIFDHZSA-N
HMDB14603,718.30026434,C41H42N4O8,COC(=O)CCC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5C)C(C=C)=C4C)C2=CC=C([C@@H](C(=O)OC)[C@@]32C)C(=O)OC)=C1C,"InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,42,44H,1,11-12,14-15H2,2-8H3,(H,46,47)/b28-16-,29-17-,30-19-,31-16-,32-18-,33-18-,34-17-,35-19-/t38-,41+/m0/s1",YTZALCGQUPRCGW,MXVXOLGGSA,N,Verteporfin,YTZALCGQUPRCGW-MXVXOLGGSA-N
HMDB14604,228.115029756,C15H16O2,COC1=CC2=C(C=C1)C=C(CCC(C)=O)C=C2,"InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3",BLXXJMDCKKHMKV,UHFFFAOYSA,N,Nabumetone,BLXXJMDCKKHMKV-UHFFFAOYSA-N
HMDB14605,397.088870908,C18H24BrNO4,[Br-].[H][C@]12C[C@@H](C[C@@]([H])(C3OC13)[N+]2(C)C)OC(=O)[C@H](CO)C1=CC=CC=C1,"InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14+,15+,16?,17?;/m1./s1",CXYRUNPLKGGUJF,JIRGPDKYSA,M,Methylscopolamine,CXYRUNPLKGGUJF-JIRGPDKYSA-M
HMDB14606,198.100442324,C9H14N2O3,CCC1(CC)C(=O)NC(=O)N(C)C1=O,"InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)",FWJKNZONDWOGMI,UHFFFAOYSA,N,Metharbital,FWJKNZONDWOGMI-UHFFFAOYSA-N
HMDB14607,316.168424781,C14H29NaO4S,[Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O,"InChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1",UPUIQOIQVMNQAP,UHFFFAOYSA,M,Sodium Tetradecyl Sulfate,UPUIQOIQVMNQAP-UHFFFAOYSA-M
HMDB14608,255.089543287,C15H13NO3,OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1,"InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)",OZWKMVRBQXNZKK,UHFFFAOYSA,N,Ketorolac,OZWKMVRBQXNZKK-UHFFFAOYSA-N
HMDB14609,602.199941174,C30H34O13,[H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O,"InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14+,15-/m10/s1",VJKUPQSHOVKBCO,ZTYBEOBUSA,N,Picrotoxin,VJKUPQSHOVKBCO-ZTYBEOBUSA-N
HMDB14610,320.128468635,C15H17FN4O3,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1,"InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)",IDYZIJYBMGIQMJ,UHFFFAOYSA,N,Enoxacin,IDYZIJYBMGIQMJ-UHFFFAOYSA-N
HMDB14611,324.183778022,C20H24N2O2,[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1",LOUPRKONTZGTKE,WZBLMQSHSA,N,Quinine,LOUPRKONTZGTKE-WZBLMQSHSA-N
HMDB14612,337.019097235,C13H11N3O4S2,CN1\C(=C(/O)NC2=CC=CC=N2)C(=O)C2=C(C=CS2)S1(=O)=O,"InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,18H,1H3,(H,14,15)/b13-10-",WZWYJBNHTWCXIM,RAXLEYEMSA,N,Tenoxicam,WZWYJBNHTWCXIM-RAXLEYEMSA-N
HMDB14613,314.224580204,C21H30O2,[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=C2C(O)=CC(CCCCC)=C1,"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1",CYQFCXCEBYINGO,IAGOWNOFSA,N,Dronabinol,CYQFCXCEBYINGO-IAGOWNOFSA-N
HMDB14614,585.21044242,C35H36ClNO3S,OC(=O)CC1(CC1)CS[C@H](CCC1=CC=CC=C1C(O)(C)C)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1,"InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1",UCHDWCPVSPXUMX,TZIWLTJVSA,N,Montelukast,UCHDWCPVSPXUMX-TZIWLTJVSA-N
HMDB14615,309.134048818,C17H18F3NO,CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3",RTHCYVBBDHJXIQ,UHFFFAOYSA,N,Fluoxetine,RTHCYVBBDHJXIQ-UHFFFAOYSA-N
HMDB14616,261.172878985,C16H23NO2,CC(CNC1CCCCC1)OC(=O)C1=CC=CC=C1,"InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3",DKLKMKYDWHYZTD,UHFFFAOYSA,N,Hexylcaine,DKLKMKYDWHYZTD-UHFFFAOYSA-N
HMDB14617,262.131742452,C14H18N2O3,CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O,"InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)",NZXKDOXHBHYTKP,UHFFFAOYSA,N,Methohexital,NZXKDOXHBHYTKP-UHFFFAOYSA-N
HMDB14618,299.082539792,C16H14ClN3O,CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=N(=O)C1,"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)",ANTSCNMPPGJYLG,UHFFFAOYSA,N,Chlordiazepoxide,ANTSCNMPPGJYLG-UHFFFAOYSA-N
HMDB14619,297.118734925,C18H19NOS,CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1,"InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1",ZEUITGRIYCTCEM,KRWDZBQOSA,N,Duloxetine,ZEUITGRIYCTCEM-KRWDZBQOSA-N
HMDB14620,318.095747015,C17H19ClN2S,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3",ZPEIMTDSQAKGNT,UHFFFAOYSA,N,Chlorpromazine,ZPEIMTDSQAKGNT-UHFFFAOYSA-N
HMDB14621,179.167399677,C12H21N,CC(N)C12CC3CC(CC(C3)C1)C2,"InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3",UBCHPRBFMUDMNC,UHFFFAOYSA,N,Rimantadine,UBCHPRBFMUDMNC-UHFFFAOYSA-N
HMDB14622,585.285736487,C22H43N5O13,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",LKCWBDHBTVXHDL,RMDFUYIESA,N,Amikacin,LKCWBDHBTVXHDL-RMDFUYIESA-N
HMDB14623,259.095691297,C13H13N3O3,NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O,"InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)",GOTYRUGSSMKFNF,UHFFFAOYSA,N,Lenalidomide,GOTYRUGSSMKFNF-UHFFFAOYSA-N
HMDB14624,473.166079047,C28H27NO4S,OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2,"InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2",GZUITABIAKMVPG,UHFFFAOYSA,N,Raloxifene,GZUITABIAKMVPG-UHFFFAOYSA-N
HMDB14626,891.176873061,C30H60I3N3O3,[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC,"InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3",REEUVFCVXKWOFE,UHFFFAOYSA,K,Gallamine Triethiodide,REEUVFCVXKWOFE-UHFFFAOYSA-K
HMDB14627,291.011957992,C11H10BrN5,BrC1=C(NC2=NCCN2)C=CC2=NC=CN=C12,"InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)",XYLJNLCSTIOKRM,UHFFFAOYSA,N,Brimonidine,XYLJNLCSTIOKRM-UHFFFAOYSA-N
HMDB14628,469.026596773,C19H17Cl2N3O5S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1Cl)C(O)=O,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",YFAGHNZHGGCZAX,JKIFEVAISA,N,Dicloxacillin,YFAGHNZHGGCZAX-JKIFEVAISA-N
HMDB14629,372.266445018,C24H36O3,[H][C@@]12CC(=O)CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC,"InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1",GECBBEABIDMGGL,RTBURBONSA,N,Nabilone,GECBBEABIDMGGL-RTBURBONSA-N
HMDB14630,333.148869726,C17H20FN3O3,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1,"InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)",FHFYDNQZQSQIAI,UHFFFAOYSA,N,Pefloxacin,FHFYDNQZQSQIAI-UHFFFAOYSA-N
HMDB14631,210.159294606,C9H18N6,CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C,InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3,UUVWYPNAQBNQJQ,UHFFFAOYSA,N,Altretamine,UUVWYPNAQBNQJQ-UHFFFAOYSA-N
HMDB14632,272.119463206,C12H20N2O3S,CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1,"InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3",ZBMZVLHSJCTVON,UHFFFAOYSA,N,Sotalol,ZBMZVLHSJCTVON-UHFFFAOYSA-N
HMDB14633,385.247775261,C21H31N5O2,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1,"InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2",QWCRAEMEVRGPNT,UHFFFAOYSA,N,Buspirone,QWCRAEMEVRGPNT-UHFFFAOYSA-N
HMDB14634,207.110672659,C8H17NO5,OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,"InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1",IBAQFPQHRJAVAV,ULAWRXDQSA,N,Miglitol,IBAQFPQHRJAVAV-ULAWRXDQSA-N
HMDB14635,563.301189343,C30H46NO7P,CCC(=O)OC(OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C,"InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30?,39?/m1/s1",BIDNLKIUORFRQP,FKDWWROVSA,N,Fosinopril,BIDNLKIUORFRQP-FKDWWROVSA-N
HMDB14636,455.056939303,C16H17N5O7S2,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1",GPRBEKHLDVQUJE,QSWIMTSFSA,N,Cefotaxime,GPRBEKHLDVQUJE-QSWIMTSFSA-N
HMDB14638,267.096753929,C10H13N5O4,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O,"InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1",HBOMLICNUCNMMY,XLPZGREQSA,N,Zidovudine,HBOMLICNUCNMMY-XLPZGREQSA-N
HMDB14639,426.230728214,C28H30N2O2,NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1",HXGBXQDTNZMWGS,RUZDIDTESA,N,Darifenacin,HXGBXQDTNZMWGS-RUZDIDTESA-N
HMDB14640,315.147058165,C18H21NO4,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1",BRUQQQPBMZOVGD,XFKAJCMBSA,N,Oxycodone,BRUQQQPBMZOVGD-XFKAJCMBSA-N
HMDB14641,222.068079564,C15H10O2,O=C1C(C(=O)C2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H",NFBAXHOPROOJAW,UHFFFAOYSA,N,Phenindione,NFBAXHOPROOJAW-UHFFFAOYSA-N
HMDB14642,276.072176843,C11H11F3N2O3,CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,"InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)",MKXKFYHWDHIYRV,UHFFFAOYSA,N,Flutamide,MKXKFYHWDHIYRV-UHFFFAOYSA-N
HMDB14643,257.105193351,C15H15NO3,CN1C(CC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1,"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)",UPSPUYADGBWSHF,UHFFFAOYSA,N,Tolmetin,UPSPUYADGBWSHF-UHFFFAOYSA-N
HMDB14644,252.115715232,C10H16N6S,C\N=C(\NCCSCC1=C(C)NC=N1)NC#N,"InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)",AQIXAKUUQRKLND,UHFFFAOYSA,N,Cimetidine,AQIXAKUUQRKLND-UHFFFAOYSA-N
HMDB14645,375.140134897,C21H23ClFNO2,OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1,"InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",LNEPOXFFQSENCJ,UHFFFAOYSA,N,Haloperidol,LNEPOXFFQSENCJ-UHFFFAOYSA-N
HMDB14646,720.312760056,C37H48N6O5S2,CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1,"InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1",NCDNCNXCDXHOMX,XGKFQTDJSA,N,Ritonavir,NCDNCNXCDXHOMX-XGKFQTDJSA-N
HMDB14647,283.193614427,C19H25NO,[H][C@@]12CCCC[C@@]11CCN(CC=C)[C@@H]2CC2=C1C=C(O)C=C2,"InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1",OZYUPQUCAUTOBP,QXAKKESOSA,N,Levallorphan,OZYUPQUCAUTOBP-QXAKKESOSA-N
HMDB14648,318.279689779,C21H36NO,CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1",NPRHVSBSZMAEIN,UHFFFAOYSA,N,Tridihexethyl,NPRHVSBSZMAEIN-UHFFFAOYSA-N
HMDB14649,307.026291103,C12H9N3O5S,CC(=O)OC1=CC=CC=C1C(=O)NC1=NC=C(S1)[N+]([O-])=O,"InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)",YQNQNVDNTFHQSW,UHFFFAOYSA,N,Nitazoxanide,YQNQNVDNTFHQSW-UHFFFAOYSA-N
HMDB14650,352.122103923,C18H19F3N2S,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F,"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3",XSCGXQMFQXDFCW,UHFFFAOYSA,N,Triflupromazine,XSCGXQMFQXDFCW-UHFFFAOYSA-N
HMDB14651,776.686681525,C15H11I4NO4,N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O,"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1",XUIIKFGFIJCVMT,GFCCVEGCSA,N,Dextrothyroxine,XUIIKFGFIJCVMT-GFCCVEGCSA-N
HMDB14652,806.44525682,C43H66O14,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1,"InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1",HPMZBILYSWLILX,UMDUKNJSSA,N,Acetyldigitoxin,HPMZBILYSWLILX-UMDUKNJSSA-N
HMDB14653,1447.430199787,C66H75Cl2N9O24,CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@](C)(N)[C@H](O)[C@H](C)O4)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2,"InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1",MYPYJXKWCTUITO,LYRMYLQWSA,N,Vancomycin,MYPYJXKWCTUITO-LYRMYLQWSA-N
HMDB14656,296.939928001,Cl2H4N2Pt,N[Pt](N)(Cl)Cl,InChI=1S/2ClH.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+4/p-2,DQLATGHUWYMOKM,UHFFFAOYSA,L,Cisplatin,DQLATGHUWYMOKM-UHFFFAOYSA-L
HMDB14657,179.925141211,Al2H2O6Si,O.O=[Si]=O.O=[Al]O[Al]=O,InChI=1S/2Al.O2Si.H2O.3O/c;;1-3-2;;;;/h;;;1H2;;;,SVPXDRXYRYOSEX,UHFFFAOYSA,N,Bentoquatam,SVPXDRXYRYOSEX-UHFFFAOYSA-N
HMDB14658,361.16164192,C17H32BrNO2,[Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C,"InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1",QSFKGMJOKUZAJM,UHFFFAOYSA,M,Anisotropine Methylbromide,QSFKGMJOKUZAJM-UHFFFAOYSA-M
HMDB14659,265.088497429,C12H15N3O2S,CCCSC1=CC2=C(C=C1)N=C(NC(=O)OC)N2,"InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",HXHWSAZORRCQMX,UHFFFAOYSA,N,Albendazole,HXHWSAZORRCQMX-UHFFFAOYSA-N
HMDB14660,430.246772208,C24H34N2O5,[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O,"InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1",VXFJYXUZANRPDJ,WTNASJBWSA,N,Trandolapril,VXFJYXUZANRPDJ-WTNASJBWSA-N
HMDB14661,1092.643062196,C52H88N10O15,CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@H](O)CCN,"InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34?,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1",JYIKNQVWKBUSNH,QWDBRQCVSA,N,Caspofungin,JYIKNQVWKBUSNH-QWDBRQCVSA-N
HMDB14662,292.178692644,C16H24N2O3,CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2,"InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)",LWAFSWPYPHEXKX,UHFFFAOYSA,N,Carteolol,LWAFSWPYPHEXKX-UHFFFAOYSA-N
HMDB14663,404.13722176,C23H20N2O5,OC(=O)C1=CC=C(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)C2=CC=CC=C2)C=C1,"InChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)/t20-/m0/s1",SPPTWHFVYKCNNK,FQEVSTJZSA,N,Bentiromide,SPPTWHFVYKCNNK-FQEVSTJZSA-N
HMDB14665,365.06008979,C16H16ClN3O3S,CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O,"InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)",AQCHWTWZEMGIFD,UHFFFAOYSA,N,Metolazone,AQCHWTWZEMGIFD-UHFFFAOYSA-N
HMDB14667,395.044481331,C8H12N2O4Pt,O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O,"InChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+4/p-2/t5-,6-;;/m1../s1",DWAFYCQODLXJNR,BNTLRKBRSA,L,Oxaliplatin,DWAFYCQODLXJNR-BNTLRKBRSA-L
HMDB14668,343.225977187,C20H29N3O2,CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)",PUFQVTATUTYEAL,UHFFFAOYSA,N,Dibucaine,PUFQVTATUTYEAL-UHFFFAOYSA-N
HMDB14669,611.299536059,C36H41N3O6,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3",ZDXUKAKRHYTAKV,UHFFFAOYSA,N,Lercanidipine,ZDXUKAKRHYTAKV-UHFFFAOYSA-N
HMDB14670,125.971809718,CH3O5P,OC(=O)P(O)(O)=O,"InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)",ZJAOAACCNHFJAH,UHFFFAOYSA,N,Foscarnet,ZJAOAACCNHFJAH-UHFFFAOYSA-N
HMDB14671,393.168856239,C22H23N3O4,COCCOC1=C(OCCOC)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1,"InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)",AAKJLRGGTJKAMG,UHFFFAOYSA,N,Erlotinib,AAKJLRGGTJKAMG-UHFFFAOYSA-N
HMDB14672,260.02481966,C7H15Cl2N2O2P,ClCCN(CCCl)P1(=O)NCCCO1,"InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)",CMSMOCZEIVJLDB,UHFFFAOYSA,N,Cyclophosphamide,CMSMOCZEIVJLDB-UHFFFAOYSA-N
HMDB14673,218.105527702,C12H14N2O2,CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1,"InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)",GMHKMTDVRCWUDX,UHFFFAOYSA,N,Mephenytoin,GMHKMTDVRCWUDX-UHFFFAOYSA-N
HMDB14674,368.021530917,C5H11ClHgN2O2,COC(CNC(N)=O)C[Hg]Cl,"InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1",BJFGVYCULWBXKF,UHFFFAOYSA,M,Chlormerodrin,BJFGVYCULWBXKF-UHFFFAOYSA-M
HMDB14675,395.035809931,C14H13N5O5S2,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1",RTXOFQZKPXMALH,GHXIOONMSA,N,Cefdinir,RTXOFQZKPXMALH-GHXIOONMSA-N
HMDB14677,331.133219662,C17H18FN3O3,OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)",MYSWGUAQZAJSOK,UHFFFAOYSA,N,Ciprofloxacin,MYSWGUAQZAJSOK-UHFFFAOYSA-N
HMDB14678,662.154667866,C20H34GdN5O10,[Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O,"InChI=1S/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33);/q;+3/p-3",HBEAOBRDTOXWRZ,UHFFFAOYSA,K,Gadoversetamide,HBEAOBRDTOXWRZ-UHFFFAOYSA-K
HMDB14679,405.18594223,C26H28ClNO,CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1,"InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-",XFCLJVABOIYOMF,QPLCGJKRSA,N,Toremifene,XFCLJVABOIYOMF-QPLCGJKRSA-N
HMDB14680,263.167399677,C19H21N,CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3",PHVGLTMQBUFIQQ,UHFFFAOYSA,N,Nortriptyline,PHVGLTMQBUFIQQ-UHFFFAOYSA-N
HMDB14681,824.399644032,C46H56N4O10,[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC,"InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1",OGWKCGZFUXNPDA,XQKSVPLYSA,N,Vincristine,OGWKCGZFUXNPDA-XQKSVPLYSA-N
HMDB14682,424.199822016,C24H28N2O5,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O,"InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1",XPCFTKFZXHTYIP,PMACEKPBSA,N,Benazepril,XPCFTKFZXHTYIP-PMACEKPBSA-N
HMDB14683,313.098189856,C17H16ClN3O,ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1,"InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2",QWGDMFLQWFTERH,UHFFFAOYSA,N,Amoxapine,QWGDMFLQWFTERH-UHFFFAOYSA-N
HMDB14684,130.017855555,C4H3FN2O2,FC1=CNC(=O)NC1=O,"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",GHASVSINZRGABV,UHFFFAOYSA,N,Fluorouracil,GHASVSINZRGABV-UHFFFAOYSA-N
HMDB14685,181.09770267,C9H13N2O2,CN(C)C(=O)OC1=C[N+](C)=CC=C1,"InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1",RVOLLAQWKVFTGE,UHFFFAOYSA,N,Pyridostigmine,RVOLLAQWKVFTGE-UHFFFAOYSA-N
HMDB14686,351.125073308,C19H18ClN5,CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3",GJSLOMWRLALDCT,UHFFFAOYSA,N,Adinazolam,GJSLOMWRLALDCT-UHFFFAOYSA-N
HMDB14687,376.204987621,C22H29FO4,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1",VWVSBHGCDBMOOT,IIEHVVJPSA,N,Desoximetasone,VWVSBHGCDBMOOT-IIEHVVJPSA-N
HMDB14689,575.209006493,C31H33N3O6S,COC1=C(CC2=CN(C)C3=C2C=C(NC(=O)OC2CCCC2)C=C3)C=CC(=C1)C(=O)NS(=O)(=O)C1=CC=CC=C1C,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)",YEEZWCHGZNKEEK,UHFFFAOYSA,N,Zafirlukast,YEEZWCHGZNKEEK-UHFFFAOYSA-N
HMDB14690,170.051383642,C7H10N2OS,CCCC1=CC(=O)NC(=S)N1,"InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)",KNAHARQHSZJURB,UHFFFAOYSA,N,Propylthiouracil,KNAHARQHSZJURB-UHFFFAOYSA-N
HMDB14691,75.032028409,C2H5NO2,CC(=O)NO,"InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)",RRUDCFGSUDOHDG,UHFFFAOYSA,N,Acetohydroxamic Acid,RRUDCFGSUDOHDG-UHFFFAOYSA-N
HMDB14692,268.11715502,C11H16N4O4,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O,"InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1",FPVKHBSQESCIEP,JQCXWYLXSA,N,Pentostatin,FPVKHBSQESCIEP-JQCXWYLXSA-N
HMDB14693,216.042258738,C12H8O4,COC1=C2OC(=O)C=CC2=CC2=C1OC=C2,"InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3",QXKHYNVANLEOEG,UHFFFAOYSA,N,Methoxsalen,QXKHYNVANLEOEG-UHFFFAOYSA-N
HMDB14694,331.062676609,C15H13N3O4S,CN1C(C(=O)NC2=NC=CC=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O,"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",QYSPLQLAKJAUJT,UHFFFAOYSA,N,Piroxicam,QYSPLQLAKJAUJT-UHFFFAOYSA-N
HMDB14695,255.007850663,C9H7Cl2N5,NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1,"InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)",PYZRQGJRPPTADH,UHFFFAOYSA,N,Lamotrigine,PYZRQGJRPPTADH-UHFFFAOYSA-N
HMDB14696,187.98722564,C3F8,FC(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11",QYSGYZVSCZSLHT,UHFFFAOYSA,N,Perflutren,QYSGYZVSCZSLHT-UHFFFAOYSA-N
HMDB14697,374.176105825,C21H27ClN2O2,OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2",ZQDWXGKKHFNSQK,UHFFFAOYSA,N,Hydroxyzine,ZQDWXGKKHFNSQK-UHFFFAOYSA-N
HMDB14698,332.133199014,C12H20N4O7,[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1",ARAIBEBZBOPLMB,UFGQHTETSA,N,Zanamivir,ARAIBEBZBOPLMB-UFGQHTETSA-N
HMDB14699,551.183854375,C27H29N5O6S,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1,"InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)",GJPICJJJRGTNOD,UHFFFAOYSA,N,Bosentan,GJPICJJJRGTNOD-UHFFFAOYSA-N
HMDB14700,585.279863249,C29H39N5O8,[H][C@@]12CC3=C(C=C(NC(=O)CNC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C,"InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1",FPZLLRFZJZRHSY,HJYUBDRYSA,N,Tigecycline,FPZLLRFZJZRHSY-HJYUBDRYSA-N
HMDB14701,378.230728214,C24H30N2O2,CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3",XFDJYSQDBULQSI,UHFFFAOYSA,N,Doxapram,XFDJYSQDBULQSI-UHFFFAOYSA-N
HMDB14702,430.983495728,C15H14ClN3O4S3,NS(=O)(=O)C1=C(Cl)C=C2NC(CSCC3=CC=CC=C3)=NS(=O)(=O)C2=C1,"InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)",NDTSRXAMMQDVSW,UHFFFAOYSA,N,Benzthiazide,NDTSRXAMMQDVSW-UHFFFAOYSA-N
HMDB14703,454.171315854,C20H22N8O5,CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1",FBOZXECLQNJBKD,ZDUSSCGKSA,N,Methotrexate,FBOZXECLQNJBKD-ZDUSSCGKSA-N
HMDB14704,236.094963016,C15H12N2O,NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12,"InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)",FFGPTBGBLSHEPO,UHFFFAOYSA,N,Carbamazepine,FFGPTBGBLSHEPO-UHFFFAOYSA-N
HMDB14705,1242.50040521,C65H82N2O18S2,[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C1=CC=CC=C1.COC1=C(OC)C=C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C=C2)C=C1,"InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t42-,43-,54-,55-;;/m1../s1",XXZSQOVSEBAPGS,DONVQRBFSA,L,Cisatracurium Besylate,XXZSQOVSEBAPGS-DONVQRBFSA-L
HMDB14706,181.97075006,C4H6O4S2,OC(=O)C(S)C(S)C(O)=O,"InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)",ACTRVOBWPAIOHC,UHFFFAOYSA,N,Succimer,ACTRVOBWPAIOHC-UHFFFAOYSA-N
HMDB14707,347.093976737,C16H17N3O4S,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",ZAIPMKNFIOOWCQ,UEKVPHQBSA,N,Cephalexin,ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
HMDB14708,368.225248906,C26H28N2,C(C=CC1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2",DERZBLKQOCDDDZ,UHFFFAOYSA,N,Cinnarizine,DERZBLKQOCDDDZ-UHFFFAOYSA-N
HMDB14709,1728.786427203,C31H45N3Na10O49S8,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H](OS([O-])(=O)=O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)C(O)=O)[C@H](O)[C@H]1NS([O-])(=O)=O,"InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-8/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1",XEKSTYNIJLDDAZ,JASSWCPGSA,F,Fondaparinux sodium,XEKSTYNIJLDDAZ-JASSWCPGSA-F
HMDB14710,810.420379474,C46H58N4O9,[H][C@@]12N(C)C3=C(C=C(C(OC)=C3)[C@]3(C[C@@H]4CN(C[C@](O)(CC)C4)CCC4=C3NC3=CC=CC=C43)C(=O)OC)[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H],"InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1",JXLYSJRDGCGARV,XQKSVPLYSA,N,Vinblastine,JXLYSJRDGCGARV-XQKSVPLYSA-N
HMDB14712,289.167793607,C17H23NO3,CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?",RKUNBYITZUJHSG,SPUOUPEWSA,N,Atropine,RKUNBYITZUJHSG-SPUOUPEWSA-N
HMDB14713,242.094294314,C15H14O3,CC(C(O)=O)C1=CC(OC2=CC=CC=C2)=CC=C1,"InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)",RDJGLLICXDHJDY,UHFFFAOYSA,N,Fenoprofen,RDJGLLICXDHJDY-UHFFFAOYSA-N
HMDB14714,229.017352717,C9H9Cl2N3,ClC1=CC=CC(Cl)=C1NC1=NCCN1,"InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)",GJSURZIOUXUGAL,UHFFFAOYSA,N,Clonidine,GJSURZIOUXUGAL-UHFFFAOYSA-N
HMDB14715,270.024516964,C9H10N4O2S2,CC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1,"InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)",VACCAVUAMIDAGB,UHFFFAOYSA,N,Sulfamethizole,VACCAVUAMIDAGB-UHFFFAOYSA-N
HMDB14716,324.154603158,C13H20N6O4,CC(C)[C@H](N)C(=O)OCCOCN1C=NC2=C1NC(N)=NC2=O,"InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1",HDOVUKNUBWVHOX,QMMMGPOBSA,N,Valaciclovir,HDOVUKNUBWVHOX-QMMMGPOBSA-N
HMDB14717,378.088557008,C17H18N2O6S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(O)=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1",FPPNZSSZRUTDAP,UWFZAAFLSA,N,Carbenicillin,FPPNZSSZRUTDAP-UWFZAAFLSA-N
HMDB14718,284.071640755,C16H13ClN2O,OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1,"InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2",ZPXSCAKFGYXMGA,UHFFFAOYSA,N,Mazindol,ZPXSCAKFGYXMGA-UHFFFAOYSA-N
HMDB14720,349.11504471,C16H14F3N5O,C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,"InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1",BCEHBSKCWLPMDN,MGPLVRAMSA,N,Voriconazole,BCEHBSKCWLPMDN-MGPLVRAMSA-N
HMDB14722,376.199822016,C20H28N2O5,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1",GBXSMTUPTTWBMN,XIRDDKMYSA,N,Enalapril,GBXSMTUPTTWBMN-XIRDDKMYSA-N
HMDB14723,331.113666321,C12H21N5O2S2,CN\C(NCCSCC1=CSC(CN(C)C)=N1)=C/[N+]([O-])=O,"InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+",SGXXNSQHWDMGGP,IZZDOVSWSA,N,Nizatidine,SGXXNSQHWDMGGP-IZZDOVSWSA-N
HMDB14724,295.016684015,C14H11Cl2NO2,OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",DCOPUUMXTXDBNB,UHFFFAOYSA,N,Diclofenac,DCOPUUMXTXDBNB-UHFFFAOYSA-N
HMDB14725,412.182063462,C23H28N2O3S,CCC(CC)(CC(=O)NC1=CC=CC(\C=C\C2=NC(=CS2)C2CCC2)=C1)C(O)=O,"InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+",BZMKNPGKXJAIDV,VAWYXSNFSA,N,Cinalukast,BZMKNPGKXJAIDV-VAWYXSNFSA-N
HMDB14726,500.184429407,C25H31F3O5S,[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1",WMWTYOKRWGGJOA,CENSZEJFSA,N,Fluticasone Propionate,WMWTYOKRWGGJOA-CENSZEJFSA-N
HMDB14727,338.210661474,C20H26N4O,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC,"InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1",BKRGVLQUQGGVSM,KBXCAEBGSA,N,Lisuride,BKRGVLQUQGGVSM-KBXCAEBGSA-N
HMDB14728,451.185568935,C23H25N5O5,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1,"InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)",RUZYUOTYCVRMRZ,UHFFFAOYSA,N,Doxazosin,RUZYUOTYCVRMRZ-UHFFFAOYSA-N
HMDB14729,452.201045102,C24H30F2O6,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",FEBLZLNTKCEFIT,VSXGLTOVSA,N,Fluocinolone Acetonide,FEBLZLNTKCEFIT-VSXGLTOVSA-N
HMDB14730,86.08439833,C4H10N2,C1CNCCN1,"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2",GLUUGHFHXGJENI,UHFFFAOYSA,N,Piperazine,GLUUGHFHXGJENI-UHFFFAOYSA-N
HMDB14731,141.078978601,C7H11NO2,CCC1(C)CC(=O)NC1=O,"InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)",HAPOVYFOVVWLRS,UHFFFAOYSA,N,Ethosuximide,HAPOVYFOVVWLRS-UHFFFAOYSA-N
HMDB14732,229.04788562,C6H8ClN7O,NC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N1,"InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)",XSDQTOBWRPYKKA,UHFFFAOYSA,N,Amiloride,XSDQTOBWRPYKKA-UHFFFAOYSA-N
HMDB14733,460.148180376,C22H24N2O9,[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)C4=C(O)C=CC=C4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-28,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1",JLGOGFIHBRJQHY,PXOLEDIWSA,N,Oxytetracycline,JLGOGFIHBRJQHY-PXOLEDIWSA-N
HMDB14734,484.182808219,C25H31ClF2O5,[H][C@]1(F)CC2C3C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)C3(C)CC(O)[C@]2(F)C2(C)C=CC(=O)C=C12,"InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15?,16?,18-,19?,22?,23?,24-,25-/m0/s1",BDSYKGHYMJNPAB,YKQIDFLYSA,N,Halobetasol Propionate,BDSYKGHYMJNPAB-YKQIDFLYSA-N
HMDB14735,559.127724835,C17H29GdN4O7,[Gd+3].CC(O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1,"InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3",DPNNNPAKRZOSMO,UHFFFAOYSA,K,Gadoteridol,DPNNNPAKRZOSMO-UHFFFAOYSA-K
HMDB14736,328.178692644,C19H24N2O3,CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1,"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)",SGUAFYQXFOLMHL,UHFFFAOYSA,N,Labetalol,SGUAFYQXFOLMHL-UHFFFAOYSA-N
HMDB14737,242.10889852,C11H18N2O2S,CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,"InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",IUJDSEJGGMCXSG,UHFFFAOYSA,N,Thiopental,IUJDSEJGGMCXSG-UHFFFAOYSA-N
HMDB14738,200.083729628,C13H12O2,OC1=CC=C(OCC2=CC=CC=C2)C=C1,"InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2",VYQNWZOUAUKGHI,UHFFFAOYSA,N,Monobenzone,VYQNWZOUAUKGHI-UHFFFAOYSA-N
HMDB14739,337.143784348,C16H20FN3O4,CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)N1CCOCC1,"InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1",TYZROVQLWOKYKF,ZDUSSCGKSA,N,Linezolid,TYZROVQLWOKYKF-ZDUSSCGKSA-N
HMDB14740,1735.000064088,C95H146O28,CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]1[C@@H](C)\C=C\C=C2/CO[C@@H]3[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]4C[C@@H](C\C=C1/C)O[C@@]1(CC[C@H](C)[C@@H](C(C)C)O1)C4)[C@]23O.CC[C@@H](C)[C@H]1O[C@@]2(CC[C@@H]1C)O[C@@H]1C\C=C(C)\[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC)C4)[C@@H](OC)C3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O[C@@H](C1)C2)[C@]34O,"InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25-,26+,28+,30+,31+,33-,34+,35+,36+,37+,38+,39+,40-,41+,42+,43-,44+,45-,47-,48-;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m10/s1",SPBDXSGPUHCETR,CVSKBELMSA,N,Ivermectin,SPBDXSGPUHCETR-CVSKBELMSA-N
HMDB14742,465.183062343,C23H29ClFN3O4,CO[C@H]1CN(CCCOC2=CC=C(F)C=C2)CC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC,"InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1",DCSUBABJRXZOMT,IRLDBZIGSA,N,Cisapride,DCSUBABJRXZOMT-IRLDBZIGSA-N
HMDB14743,356.088243305,C20H17FO3S,CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O,"InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-",MLKXDPUZXIRXEP,MFOYZWKCSA,N,Sulindac,MLKXDPUZXIRXEP-MFOYZWKCSA-N
HMDB14744,389.027075102,C14H16ClN3O4S2,NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2,"InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)",BOCUKUHCLICSIY,UHFFFAOYSA,N,Cyclothiazide,BOCUKUHCLICSIY-UHFFFAOYSA-N
HMDB14745,414.124942514,C21H22N2O5S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OCC)C=CC2=CC=CC=C12)C(O)=O,"InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1",GPXLMGHLHQJAGZ,JTDSTZFVSA,N,Nafcillin,GPXLMGHLHQJAGZ-JTDSTZFVSA-N
HMDB14746,319.181525554,C18H26ClN3,CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1,"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)",WHTVZRBIWZFKQO,UHFFFAOYSA,N,Chloroquine,WHTVZRBIWZFKQO-UHFFFAOYSA-N
HMDB14747,166.05646902,C8H10N2S,CCC1=NC=CC(=C1)C(N)=S,"InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)",AEOCXXJPGCBFJA,UHFFFAOYSA,N,Ethionamide,AEOCXXJPGCBFJA-UHFFFAOYSA-N
HMDB14748,167.094628665,C9H13NO2,C[C@H](N)[C@H](O)C1=CC(O)=CC=C1,"InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1",WXFIGDLSSYIKKV,RCOVLWMOSA,N,Metaraminol,WXFIGDLSSYIKKV-RCOVLWMOSA-N
HMDB14749,327.219829177,C21H29NO2,[H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2CC1CCC1,"InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21+/m0/s1",IFKLAQQSCNILHL,PWRODBHTSA,N,Butorphanol,IFKLAQQSCNILHL-PWRODBHTSA-N
HMDB14750,325.225308485,C18H31NO4,CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1,"InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3",VHYCDWMUTMEGQY,UHFFFAOYSA,N,Bisoprolol,VHYCDWMUTMEGQY-UHFFFAOYSA-N
HMDB14751,355.145140048,C20H22ClN3O,CCN(CC)CC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1,"InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)",OVCDSSHSILBFBN,UHFFFAOYSA,N,Amodiaquine,OVCDSSHSILBFBN-UHFFFAOYSA-N
HMDB14752,225.038570337,C8H7N3O5,[O-][N+](=O)C1=CC=C(O1)\C=N\N1CCOC1=O,"InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+",PLHJDBGFXBMTGZ,WEVVVXLNSA,N,Furazolidone,PLHJDBGFXBMTGZ-WEVVVXLNSA-N
HMDB14753,846.441508846,C46H62N4O11,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC3)CC(C)C)N=C21,"InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1",ATEBXHFBFRCZMA,VXTBVIBXSA,N,Rifabutin,ATEBXHFBFRCZMA-VXTBVIBXSA-N
HMDB14754,515.288302671,C29H41NO7,COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1,"InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1",ZTWZVMIYIIVABD,OEMFJLHTSA,N,Candoxatril,ZTWZVMIYIIVABD-OEMFJLHTSA-N
HMDB14755,157.073893223,C7H11NO3,CCC1(C)OC(=O)N(C)C1=O,"InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3",VQASKUSHBVDKGU,UHFFFAOYSA,N,Paramethadione,VQASKUSHBVDKGU-UHFFFAOYSA-N
HMDB14756,464.098643365,C21H21ClN2O8,[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C([C@H]2O)C(Cl)=CC=C1O,"InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1",FMTDIUIBLCQGJB,SEYHBJAFSA,N,Demeclocycline,FMTDIUIBLCQGJB-SEYHBJAFSA-N
HMDB14757,493.259008649,C29H31N7O,CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1,"InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)",KTUFNOKKBVMGRW,UHFFFAOYSA,N,Imatinib,KTUFNOKKBVMGRW-UHFFFAOYSA-N
HMDB14758,394.179166801,C21H27FO6,[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",GFNANZIMVAIWHM,OBYCQNJPSA,N,Triamcinolone,GFNANZIMVAIWHM-OBYCQNJPSA-N
HMDB14759,306.219494826,C19H30O3,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)OC[C@]12C,"InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1",QSLJIVKCVHQPLV,PEMPUTJUSA,N,Oxandrolone,QSLJIVKCVHQPLV-PEMPUTJUSA-N
HMDB14760,479.205635675,C26H29N3O6,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1,"InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3",ZBBHBTPTTSWHBA,UHFFFAOYSA,N,Nicardipine,ZBBHBTPTTSWHBA-UHFFFAOYSA-N
HMDB14761,437.174867774,C22H26F3N3OS,OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1,"InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2",PLDUPXSUYLZYBN,UHFFFAOYSA,N,Fluphenazine,PLDUPXSUYLZYBN-UHFFFAOYSA-N
HMDB14763,315.027390859,C14H9ClF3NO2,FC(F)(F)[C@]1(OC(=O)NC2=C1C=C(Cl)C=C2)C#CC1CC1,"InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1",XPOQHMRABVBWPR,ZDUSSCGKSA,N,Efavirenz,XPOQHMRABVBWPR-ZDUSSCGKSA-N
HMDB14764,1421.748941023,C66H103N17O16S,CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC,"InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1",CLKOFPXJLQSYAH,ABRJDSQDSA,N,Bacitracin,CLKOFPXJLQSYAH-ABRJDSQDSA-N
HMDB14766,314.045819935,C16H11ClN2O3,OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,"InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)",XDDJGVMJFWAHJX,UHFFFAOYSA,N,Clorazepate,XDDJGVMJFWAHJX-UHFFFAOYSA-N
HMDB14767,230.01260169,C8H8Cl2N4,NC(N)=NN=CC1=C(Cl)C=CC=C1Cl,"InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)",WDZVGELJXXEGPV,UHFFFAOYSA,N,Guanabenz,WDZVGELJXXEGPV-UHFFFAOYSA-N
HMDB14769,303.053445155,C10H11ClFN5O3,[H][C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=C(Cl)N=C12,"InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1",WDDPHFBMKLOVOX,AYQXTPAHSA,N,Clofarabine,WDDPHFBMKLOVOX-AYQXTPAHSA-N
HMDB14770,326.354866094,C22H46O,CCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3",NOPFSRXAKWQILS,UHFFFAOYSA,N,Docosanol,NOPFSRXAKWQILS-UHFFFAOYSA-N
HMDB14771,200.131348522,C13H16N2,C[C@H](C1=CNC=N1)C1=C(C)C(C)=CC=C1,"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1",CUHVIMMYOGQXCV,NSHDSACASA,N,Dexmedetomidine,CUHVIMMYOGQXCV-NSHDSACASA-N
HMDB14772,214.041212886,C8H10N2O3S,CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",SKIVFJLNDNKQPD,UHFFFAOYSA,N,Sulfacetamide,SKIVFJLNDNKQPD-UHFFFAOYSA-N
HMDB14773,358.178023942,C21H26O5,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",XOFYZVNMUHMLCC,ZPOLXVRWSA,N,Prednisone,XOFYZVNMUHMLCC-ZPOLXVRWSA-N
HMDB14774,242.070972053,C12H15ClO3,CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1,"InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3",KNHUKKLJHYUCFP,UHFFFAOYSA,N,Clofibrate,KNHUKKLJHYUCFP-UHFFFAOYSA-N
HMDB14775,458.248189839,C28H31FN4O,COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1,"InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)",GXDALQBWZGODGZ,UHFFFAOYSA,N,Astemizole,GXDALQBWZGODGZ-UHFFFAOYSA-N
HMDB14776,6176.017855026,C228H382O191,OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(OC[C@@]4(OC[C@@]5(OC[C@@]6(OC[C@@]7(OC[C@@]8(OC[C@@]9(OC[C@@]%10(OC[C@@]%11(OC[C@@]%12(OC[C@@]%13(OC[C@@]%14(OC[C@@]%15(OC[C@@]%16(OC[C@@]%17(OC[C@@]%18(OC[C@@]%19(OC[C@@]%20(OC[C@@]%21(OC[C@@]%22(OC[C@@]%23(OC[C@@]%24(OC[C@@]%25(OC[C@@]%26(OC[C@@]%27(OC[C@@]%28(OC[C@@]%29(OC[C@@]%30(OC[C@@]%31(OC[C@@]%32(OC[C@@]%33(OC[C@@]%34(OC[C@@]%35(OC[C@@]%36(OC[C@@]%37(O[C@H]%38O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%38O)O[C@H](CO)[C@@H](O)[C@@H]%37O)O[C@H](CO)[C@@H](O)[C@@H]%36O)O[C@H](CO)[C@@H](O)[C@@H]%35O)O[C@H](CO)[C@@H](O)[C@@H]%34O)O[C@H](CO)[C@@H](O)[C@@H]%33O)O[C@H](CO)[C@@H](O)[C@@H]%32O)O[C@H](CO)[C@@H](O)[C@@H]%31O)O[C@H](CO)[C@@H](O)[C@@H]%30O)O[C@H](CO)[C@@H](O)[C@@H]%29O)O[C@H](CO)[C@@H](O)[C@@H]%28O)O[C@H](CO)[C@@H](O)[C@@H]%27O)O[C@H](CO)[C@@H](O)[C@@H]%26O)O[C@H](CO)[C@@H](O)[C@@H]%25O)O[C@H](CO)[C@@H](O)[C@@H]%24O)O[C@H](CO)[C@@H](O)[C@@H]%23O)O[C@H](CO)[C@@H](O)[C@@H]%22O)O[C@H](CO)[C@@H](O)[C@@H]%21O)O[C@H](CO)[C@@H](O)[C@@H]%20O)O[C@H](CO)[C@@H](O)[C@@H]%19O)O[C@H](CO)[C@@H](O)[C@@H]%18O)O[C@H](CO)[C@@H](O)[C@@H]%17O)O[C@H](CO)[C@@H](O)[C@@H]%16O)O[C@H](CO)[C@@H](O)[C@@H]%15O)O[C@H](CO)[C@@H](O)[C@@H]%14O)O[C@H](CO)[C@@H](O)[C@@H]%13O)O[C@H](CO)[C@@H](O)[C@@H]%12O)O[C@H](CO)[C@@H](O)[C@@H]%11O)O[C@H](CO)[C@@H](O)[C@@H]%10O)O[C@H](CO)[C@@H](O)[C@@H]9O)O[C@H](CO)[C@@H](O)[C@@H]8O)O[C@H](CO)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@@H](O)[C@@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/C228H382O191/c229-1-76-114(268)152(306)153(307)191(381-76)419-228(190(344)151(305)113(38-266)418-228)75-380-227(189(343)150(304)112(37-265)417-227)74-379-226(188(342)149(303)111(36-264)416-226)73-378-225(187(341)148(302)110(35-263)415-225)72-377-224(186(340)147(301)109(34-262)414-224)71-376-223(185(339)146(300)108(33-261)413-223)70-375-222(184(338)145(299)107(32-260)412-222)69-374-221(183(337)144(298)106(31-259)411-221)68-373-220(182(336)143(297)105(30-258)410-220)67-372-219(181(335)142(296)104(29-257)409-219)66-371-218(180(334)141(295)103(28-256)408-218)65-370-217(179(333)140(294)102(27-255)407-217)64-369-216(178(332)139(293)101(26-254)406-216)63-368-215(177(331)138(292)100(25-253)405-215)62-367-214(176(330)137(291)99(24-252)404-214)61-366-213(175(329)136(290)98(23-251)403-213)60-365-212(174(328)135(289)97(22-250)402-212)59-364-211(173(327)134(288)96(21-249)401-211)58-363-210(172(326)133(287)95(20-248)400-210)57-362-209(171(325)132(286)94(19-247)399-209)56-361-208(170(324)131(285)93(18-246)398-208)55-360-207(169(323)130(284)92(17-245)397-207)54-359-206(168(322)129(283)91(16-244)396-206)53-358-205(167(321)128(282)90(15-243)395-205)52-357-204(166(320)127(281)89(14-242)394-204)51-356-203(165(319)126(280)88(13-241)393-203)50-355-202(164(318)125(279)87(12-240)392-202)49-354-201(163(317)124(278)86(11-239)391-201)48-353-200(162(316)123(277)85(10-238)390-200)47-352-199(161(315)122(276)84(9-237)389-199)46-351-198(160(314)121(275)83(8-236)388-198)45-350-197(159(313)120(274)82(7-235)387-197)44-349-196(158(312)119(273)81(6-234)386-196)43-348-195(157(311)118(272)80(5-233)385-195)42-347-194(156(310)117(271)79(4-232)384-194)41-346-193(155(309)116(270)78(3-231)383-193)40-345-192(39-267)154(308)115(269)77(2-230)382-192/h76-191,229-344H,1-75H2/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152+,153-,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228+/m1/s1",JYJIGFIDKWBXDU,MNNPPOADSA,N,Inulin,JYJIGFIDKWBXDU-MNNPPOADSA-N
HMDB14777,410.017802365,C19H17Cl3N2S,ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1,"InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2",SWLMUYACZKCSHZ,UHFFFAOYSA,N,Butoconazole,SWLMUYACZKCSHZ-UHFFFAOYSA-N
HMDB14780,427.149183429,C20H21N5O6,NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)N1,"InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1",WBXPDJSOTKVWSJ,CYBMUJFWSA,N,Pemetrexed,WBXPDJSOTKVWSJ-CYBMUJFWSA-N
HMDB14781,295.095691297,C16H13N3O3,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=CC=C1,"InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)",OPXLLQIJSORQAM,UHFFFAOYSA,N,Mebendazole,OPXLLQIJSORQAM-UHFFFAOYSA-N
HMDB14782,1181.573025571,C55H75N17O13,CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O,"InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)",XLXSAKCOAKORKW,UHFFFAOYSA,N,Gonadorelin,XLXSAKCOAKORKW-UHFFFAOYSA-N
HMDB14783,289.204179113,C18H27NO2,CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1,"InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3",BZEWSEKUUPWQDQ,UHFFFAOYSA,N,Dyclonine,BZEWSEKUUPWQDQ-UHFFFAOYSA-N
HMDB14784,925.503499979,C47H75NO17,C[C@H]1OC(OC2CC(O)C(C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)C(O)=O)[C@@H](O)[C@@H](N)[C@@H]1O,"InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47?/m1/s1",ZDFDJJJGIRGMBE,AFARJNEBSA,N,Nystatin,ZDFDJJJGIRGMBE-AFARJNEBSA-N
HMDB14785,339.219829177,C22H29NO2,CCC(=O)OC(CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1,"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22?/m1/s1",XLMALTXPSGQGBX,ZZWBGTBQSA,N,Propoxyphene,XLMALTXPSGQGBX-ZZWBGTBQSA-N
HMDB14786,317.953661148,C14H10Cl4,ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl,"InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H",JWBOIMRXGHLCPP,UHFFFAOYSA,N,Mitotane,JWBOIMRXGHLCPP-UHFFFAOYSA-N
HMDB14787,224.079706882,C10H12N2O4,CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O,"InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1",XNKLLVCARDGLGL,JGVFFNPUSA,N,Stavudine,XNKLLVCARDGLGL-JGVFFNPUSA-N
HMDB14789,254.101504956,C10H14N4O4,CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O,"InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3",KSCFJBIXMNOVSH,UHFFFAOYSA,N,Dyphylline,KSCFJBIXMNOVSH-UHFFFAOYSA-N
HMDB14790,285.209264491,C19H27NO,C[C@H]1[C@H]2CC3=CC=C(O)C=C3[C@]1(C)CCN2CC=C(C)C,"InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1",VOKSWYLNZZRQPF,GDIGMMSISA,N,Pentazocine,VOKSWYLNZZRQPF-GDIGMMSISA-N
HMDB14791,119.936771076,MgO4S,[Mg++].[O-]S([O-])(=O)=O,"InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",CSNNHWWHGAXBCP,UHFFFAOYSA,L,Magnesium Sulfate,CSNNHWWHGAXBCP-UHFFFAOYSA-L
HMDB14792,432.28757439,C26H40O5,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1,"InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1",GGXICVAJURFBLW,CEYXHVGTSA,N,Latanoprost,GGXICVAJURFBLW-CEYXHVGTSA-N
HMDB14794,371.151288058,C19H22ClN5O,ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1,"InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2",PHLBKPHSAVXXEF,UHFFFAOYSA,N,Trazodone,PHLBKPHSAVXXEF-UHFFFAOYSA-N
HMDB14795,167.167399677,C11H21N,CNC1(C)C2CCC(C2)C1(C)C,"InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3",IMYZQPCYWPFTAG,UHFFFAOYSA,N,Mecamylamine,IMYZQPCYWPFTAG-UHFFFAOYSA-N
HMDB14796,149.060741718,C6H12ClNO,NCC=C.ClCC1CO1,"InChI=1S/C3H5ClO.C3H7N/c4-1-3-2-5-3;1-2-3-4/h3H,1-2H2;2H,1,3-4H2",ZNSIZMQNQCNRBW,UHFFFAOYSA,N,Sevelamer,ZNSIZMQNQCNRBW-UHFFFAOYSA-N
HMDB14797,181.040878535,C5H11NO4S,CC(=O)NCCCS(O)(=O)=O,"InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)",AFCGFAGUEYAMAO,UHFFFAOYSA,N,Acamprosate,AFCGFAGUEYAMAO-UHFFFAOYSA-N
HMDB14798,221.105193351,C12H15NO3,CC1=CC(OCC2CNC(=O)O2)=CC(C)=C1,"InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)",IMWZZHHPURKASS,UHFFFAOYSA,N,Metaxalone,IMWZZHHPURKASS-UHFFFAOYSA-N
HMDB14800,388.199822016,C21H28N2O5,COC1=CC(=CC(OC)=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1,"InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)",FEZBIKUBAYAZIU,UHFFFAOYSA,N,Trimethobenzamide,FEZBIKUBAYAZIU-UHFFFAOYSA-N
HMDB14801,494.247995205,C27H36F2O6,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1",JWRMHDSINXPDHB,OJAGFMMFSA,N,Flumethasone Pivalate,JWRMHDSINXPDHB-OJAGFMMFSA-N
HMDB14802,280.06301096,C11H12N4O3S,COC1=NC=CN=C1NS(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",KXRZBTAEDBELFD,UHFFFAOYSA,N,Sulfametopyrazine,KXRZBTAEDBELFD-UHFFFAOYSA-N
HMDB14803,317.062340438,C12H10F3N3O4,CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,"InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)",XWXYUMMDTVBTOU,UHFFFAOYSA,N,Nilutamide,XWXYUMMDTVBTOU-UHFFFAOYSA-N
HMDB14804,1321.635625827,C66H83N17O13,CC(C)CC(NC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC=N1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)NCC(N)=O,"InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)",RWHUEXWOYVBUCI,UHFFFAOYSA,N,Nafarelin,RWHUEXWOYVBUCI-UHFFFAOYSA-N
HMDB14805,307.033437495,C5H15N3O8P2,OP(O)(O)=O.OP(O)(O)=O.NCCC1=CN=CN1,"InChI=1S/C5H9N3.2H3O4P/c6-2-1-5-3-7-4-8-5;2*1-5(2,3)4/h3-4H,1-2,6H2,(H,7,8);2*(H3,1,2,3,4)",ZHIBQGJKHVBLJJ,UHFFFAOYSA,N,Histamine Phosphate,ZHIBQGJKHVBLJJ-UHFFFAOYSA-N
HMDB14808,351.169524941,C19H21N5O2,CN1CCN(CC(=O)N2C3=CC=CC=C3C(=O)NC3=C2N=CC=C3)CC1,"InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)",RMHMFHUVIITRHF,UHFFFAOYSA,N,Pirenzepine,RMHMFHUVIITRHF-UHFFFAOYSA-N
HMDB14809,453.041289239,C16H15N5O7S2,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1",OKBVVJOGVLARMR,QSWIMTSFSA,N,Cefixime,OKBVVJOGVLARMR-QSWIMTSFSA-N
HMDB14810,276.033540689,C10H13ClN2O3S,CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)",RKWGIWYCVPQPMF,UHFFFAOYSA,N,Chlorpropamide,RKWGIWYCVPQPMF-UHFFFAOYSA-N
HMDB14811,534.150187993,C23H21F7N4O3,C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1",ATALOFNDEOCMKK,OITMNORJSA,N,Aprepitant,ATALOFNDEOCMKK-OITMNORJSA-N
HMDB14812,287.152143543,C17H21NO3,[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3,"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1",ASUTZQLVASHGKV,JDFRZJQESA,N,Galantamine,ASUTZQLVASHGKV-JDFRZJQESA-N
HMDB14813,371.224914555,C26H29NO,CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1,"InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-",NKANXQFJJICGDU,QPLCGJKRSA,N,Tamoxifen,NKANXQFJJICGDU-QPLCGJKRSA-N
HMDB14814,212.083729628,C14H12O2,O=C(OCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",SESFRYSPDFLNCH,UHFFFAOYSA,N,Benzyl Benzoate,SESFRYSPDFLNCH-UHFFFAOYSA-N
HMDB14815,184.066459031,C6H14FO3P,CC(C)OP(F)(=O)OC(C)C,"InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3",MUCZHBLJLSDCSD,UHFFFAOYSA,N,Isoflurophate,MUCZHBLJLSDCSD-UHFFFAOYSA-N
HMDB14816,422.162187095,C22H23ClN6O,CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,"InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)",PSIFNNKUMBGKDQ,UHFFFAOYSA,N,Losartan,PSIFNNKUMBGKDQ-UHFFFAOYSA-N
HMDB14817,370.153740222,C21H26N2S2,CSC1=CC2=C(SC3=CC=CC=C3N2CCC2CCCCN2C)C=C1,"InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",KLBQZWRITKRQQV,UHFFFAOYSA,N,Thioridazine,KLBQZWRITKRQQV-UHFFFAOYSA-N
HMDB14818,427.156576993,C22H25N3O4S,CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN2CCOCC2)C=C1,"InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)",FUBVWMNBEHXPSU,UHFFFAOYSA,N,Moricizine,FUBVWMNBEHXPSU-UHFFFAOYSA-N
HMDB14819,923.487849915,C47H73NO17,[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1",APKFDSVGJQXUKY,INPOYWNPSA,N,Amphotericin B,APKFDSVGJQXUKY-INPOYWNPSA-N
HMDB14821,325.078203343,C18H13ClFN3,CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3",DDLIGBOFAVUZHB,UHFFFAOYSA,N,Midazolam,DDLIGBOFAVUZHB-UHFFFAOYSA-N
HMDB14822,467.259127807,C18H37N5O9,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O,"InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",NLVFBUXFDBBNBW,PBSUHMDJSA,N,Tobramycin,NLVFBUXFDBBNBW-PBSUHMDJSA-N
HMDB14823,416.109624981,C20H15F3N4O3,[H][C@@]12CN(C[C@]1([H])C2N)C1=C(F)C=C2C(=O)C(=CN(C3=C(F)C=C(F)C=C3)C2=N1)C(O)=O,"InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16?",WVPSKSLAZQPAKQ,SOSAQKQKSA,N,Trovafloxacin,WVPSKSLAZQPAKQ-SOSAQKQKSA-N
HMDB14824,601.922340398,C10H18O21S4,O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O,"InChI=1S/C10H18O21S4/c11-3-1-26-10(8(31-35(22,23)24)5(3)28-32(13,14)15)27-4-2-25-9(12)7(30-34(19,20)21)6(4)29-33(16,17)18/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1",FCCNSUIJIOOXEZ,SJYYZXOBSA,N,Pentosan Polysulfate,FCCNSUIJIOOXEZ-SJYYZXOBSA-N
HMDB14825,380.199902243,C21H29FO5,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1",AAXVEMMRQDVLJB,BULBTXNYSA,N,Fludrocortisone,AAXVEMMRQDVLJB-BULBTXNYSA-N
HMDB14826,433.210052351,C23H31NO7,COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C,"InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+",RTGDFNSFWBGLEC,SYZQJQIISA,N,Mycophenolate mofetil,RTGDFNSFWBGLEC-SYZQJQIISA-N
HMDB14827,405.099456045,C18H19N3O6S,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,"InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1",FUBBGQLTSCSAON,PBFPGSCMSA,N,Cephaloglycin,FUBBGQLTSCSAON-PBFPGSCMSA-N
HMDB14828,387.151368285,C21H23ClFN3O,CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F,"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3",SAADBVWGJQAEFS,UHFFFAOYSA,N,Flurazepam,SAADBVWGJQAEFS-UHFFFAOYSA-N
HMDB14829,498.236601452,C27H34N2O7,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC(OC)=C(OC)C=C2C[C@H]1C(O)=O,"InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1",UWWDHYUMIORJTA,HSQYWUDLSA,N,Moexipril,UWWDHYUMIORJTA-HSQYWUDLSA-N
HMDB14830,281.152812245,C17H19N3O,CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1,"InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)",MRBDMNSDAVCSSF,UHFFFAOYSA,N,Phentolamine,MRBDMNSDAVCSSF-UHFFFAOYSA-N
HMDB14831,332.068473494,C20H12O5,OC1=CC2=C(C=C1)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C=C(O)C=C1,"InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H",GNBHRKFJIUUOQI,UHFFFAOYSA,N,Fluorescein,GNBHRKFJIUUOQI-UHFFFAOYSA-N
HMDB14832,527.179146153,C27H29NO10,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1",STQGQHZAVUOBTE,VGBVRHCVSA,N,Daunorubicin,STQGQHZAVUOBTE-VGBVRHCVSA-N
HMDB14834,581.263819255,C33H35N5O5,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O,"InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1",XCGSFFUVFURLIX,VFGNJEKYSA,N,Ergotamine,XCGSFFUVFURLIX-VFGNJEKYSA-N
HMDB14835,253.018893678,C9H8ClN5S,ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1,"InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)",XFYDIVBRZNQMJC,UHFFFAOYSA,N,Tizanidine,XFYDIVBRZNQMJC-UHFFFAOYSA-N
HMDB14836,238.033819322,C8H6N4O5,[O-][N+](=O)C1=CC=C(O1)\C=N/N1CC(=O)NC1=O,"InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3-",NXFQHRVNIOXGAQ,OQFOIZHKSA,N,Nitrofurantoin,NXFQHRVNIOXGAQ-OQFOIZHKSA-N
HMDB14837,483.11575436,C24H26BrN3O3,[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@]1(C[C@@H](COC(=O)C1=CC(Br)=CN=C1)CN2C)OC,"InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1",YSEXMKHXIOCEJA,FVFQAYNVSA,N,Nicergoline,YSEXMKHXIOCEJA-FVFQAYNVSA-N
HMDB14838,414.204238692,C24H30O6,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)C(=O)OC,"InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1",JUKPWJGBANNWMW,VWBFHTRKSA,N,Eplerenone,JUKPWJGBANNWMW-VWBFHTRKSA-N
HMDB14839,505.224656557,C25H35N3O6S,CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1",YMARZQAQMVYCKC,OEMFJLHTSA,N,Amprenavir,YMARZQAQMVYCKC-OEMFJLHTSA-N
HMDB14841,236.003781522,C5H8N4O3S2,CN1N=C(S\C1=N/C(C)=O)S(N)(=O)=O,"InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-",FLOSMHQXBMRNHR,DAXSKMNVSA,N,Methazolamide,FLOSMHQXBMRNHR-DAXSKMNVSA-N
HMDB14842,341.162708229,C20H23NO4,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O,"InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1",DQCKKXVULJGBQN,XFWGSAIBSA,N,Naltrexone,DQCKKXVULJGBQN-XFWGSAIBSA-N
HMDB14843,456.194359482,C22H28N6O3S,CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2,"InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3",WHBIGIKBNXZKFE,UHFFFAOYSA,N,Delavirdine,WHBIGIKBNXZKFE-UHFFFAOYSA-N
HMDB14844,408.171892706,C20H28N2O5S,CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O,"InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1",DRHKJLXJIQTDTD,OAHLLOKOSA,N,Tamsulosin,DRHKJLXJIQTDTD-OAHLLOKOSA-N
HMDB14846,386.202798904,C22H30N2O2S,CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1,"InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3",GGCSSNBKKAUURC,UHFFFAOYSA,N,Sufentanil,GGCSSNBKKAUURC-UHFFFAOYSA-N
HMDB14847,229.052111923,C8H11N3O3S,NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1,"InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1",JTEGQNOMFQHVDC,NKWVEPMBSA,N,Lamivudine,JTEGQNOMFQHVDC-NKWVEPMBSA-N
HMDB14848,319.094975119,C9H23NO7P2,CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)",MPBVHIBUJCELCL,UHFFFAOYSA,N,Ibandronate,MPBVHIBUJCELCL-UHFFFAOYSA-N
HMDB14849,199.168462309,C10H21N3O,CCN(CC)C(=O)N1CCN(C)CC1,"InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3",RCKMWOKWVGPNJF,UHFFFAOYSA,N,Diethylcarbamazine,RCKMWOKWVGPNJF-UHFFFAOYSA-N
HMDB14850,244.089957865,C15H13FO2,CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)",SYTBZMRGLBWNTM,UHFFFAOYSA,N,Flurbiprofen,SYTBZMRGLBWNTM-UHFFFAOYSA-N
HMDB14851,401.104541423,C19H19N3O5S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O,"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1",UWYHMGVUTGAWSP,JKIFEVAISA,N,Oxacillin,UWYHMGVUTGAWSP-JKIFEVAISA-N
HMDB14852,267.125928793,C17H17NO2,[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23,"InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1",VMWNQDUVQKEIOC,CYBMUJFWSA,N,Apomorphine,VMWNQDUVQKEIOC-CYBMUJFWSA-N
HMDB14853,329.142721716,C19H20FNO3,FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1,"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1",AHOUBRCZNHFOSL,YOEHRIQHSA,N,Paroxetine,AHOUBRCZNHFOSL-YOEHRIQHSA-N
HMDB14854,371.100501903,C19H17NO7,CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",RQTOOFIXOKYGAN,UHFFFAOYSA,N,Nedocromil,RQTOOFIXOKYGAN-UHFFFAOYSA-N
HMDB14855,298.193280076,C20H26O2,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",VIKNJXKGJWUCNN,XGXHKTLJSA,N,Norethindrone,VIKNJXKGJWUCNN-XGXHKTLJSA-N
HMDB14856,501.198849537,C20H32N5O8P,CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCOC(=O)C(C)(C)C,"InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)",WOZSCQDILHKSGG,UHFFFAOYSA,N,Adefovir Dipivoxil,WOZSCQDILHKSGG-UHFFFAOYSA-N
HMDB14857,290.178298714,C20H22N2,CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2,"InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3",SEBMTIQKRHYNIT,UHFFFAOYSA,N,Azatadine,SEBMTIQKRHYNIT-UHFFFAOYSA-N
HMDB14858,243.886016298,CH4Cl2O6P2,OP(O)(=O)C(Cl)(Cl)P(O)(O)=O,"InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)",ACSIXWWBWUQEHA,UHFFFAOYSA,N,Clodronate,ACSIXWWBWUQEHA-UHFFFAOYSA-N
HMDB14859,236.152477894,C13H20N2O2,CCN(CC)CCOC(=O)C1=CC=C(N)C=C1,"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3",MFDFERRIHVXMIY,UHFFFAOYSA,N,Procaine,MFDFERRIHVXMIY-UHFFFAOYSA-N
HMDB14861,211.120843415,C11H17NO3,COC1=CC(C(O)C(C)N)=C(OC)C=C1,"InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3",WJAJPNHVVFWKKL,UHFFFAOYSA,N,Methoxamine,WJAJPNHVVFWKKL-UHFFFAOYSA-N
HMDB14862,240.137496532,C14H16N4,CC(C)CN1C=NC2=C1C1=CC=CC=C1N=C2N,"InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)",DOUYETYNHWVLEO,UHFFFAOYSA,N,Imiquimod,DOUYETYNHWVLEO-UHFFFAOYSA-N
HMDB14863,369.093956286,C17H24BrNO3,[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1,"InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1",FUFVKLQESJNNAN,UHFFFAOYSA,M,Homatropine Methylbromide,FUFVKLQESJNNAN-UHFFFAOYSA-M
HMDB14864,294.209598842,C20H26N2,CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3",ZSCDBOWYZJWBIY,UHFFFAOYSA,N,Trimipramine,ZSCDBOWYZJWBIY-UHFFFAOYSA-N
HMDB14865,227.002578773,C3H5N3O9,[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O,"InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2",SNIOPGDIGTZGOP,UHFFFAOYSA,N,Nitroglycerin,SNIOPGDIGTZGOP-UHFFFAOYSA-N
HMDB14866,529.400533194,C32H53N2O4,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1,"InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1",YXRDKMPIGHSVRX,OOJCLDBCSA,N,Rocuronium,YXRDKMPIGHSVRX-OOJCLDBCSA-N
HMDB14867,389.166079047,C21H27NO4S,COS([O-])(=O)=O.C[N+]1(C)CCC(CC1)=C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",BREMLQBSKCSNNH,UHFFFAOYSA,M,Diphemanil Methylsulfate,BREMLQBSKCSNNH-UHFFFAOYSA-M
HMDB14868,201.036067929,C10H7N3S,N1C2=CC=CC=C2N=C1C1=CSC=N1,"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)",WJCNZQLZVWNLKY,UHFFFAOYSA,N,Thiabendazole,WJCNZQLZVWNLKY-UHFFFAOYSA-N
HMDB14869,317.199093735,C19H27NO3,CC(C)C1CC[C@@H](CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15?,16-,17-/m1/s1",OELFLUMRDSZNSF,YJEKIOLLSA,N,Nateglinide,OELFLUMRDSZNSF-YJEKIOLLSA-N
HMDB14870,928.508525778,C53H72N2O12,COC1=C(OC)C=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3C2CC2=CC(OC)=C(OC)C=C2)C=C1,"InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2",YXSLJKQTIDHPOT,UHFFFAOYSA,N,Atracurium,YXSLJKQTIDHPOT-UHFFFAOYSA-N
HMDB14871,137.07148792,C7H9N2O,C[N+]1=C(\C=N\O)C=CC=C1,"InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1",JBKPUQTUERUYQE,UHFFFAOYSA,O,Pralidoxime,JBKPUQTUERUYQE-UHFFFAOYSA-O
HMDB14873,287.167399677,C21H21N,CN(CC=CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C12,"InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3",OZGNYLLQHRPOBR,UHFFFAOYSA,N,Naftifine,OZGNYLLQHRPOBR-UHFFFAOYSA-N
HMDB14874,345.114712179,C17H19N3O3S,COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1",SUBDBMMJDZJVOS,DEOSSOPVSA,N,Esomeprazole,SUBDBMMJDZJVOS-DEOSSOPVSA-N
HMDB14875,390.186276581,C25H27ClN2,CC1=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1,"InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3",OCJYIGYOJCODJL,UHFFFAOYSA,N,Meclizine,OCJYIGYOJCODJL-UHFFFAOYSA-N
HMDB14876,340.189926032,C19H24N4O2,NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1,"InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)",XDRYMKDFEDOLFX,UHFFFAOYSA,N,Pentamidine,XDRYMKDFEDOLFX-UHFFFAOYSA-N
HMDB14877,389.140926929,C19H23N3O4S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)C1=CC=CC=C1)C(O)=O,"InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1",DXVUYOAEDJXBPY,NFFDBFGFSA,N,Hetacillin,DXVUYOAEDJXBPY-NFFDBFGFSA-N
HMDB14878,234.007468097,C8H5F3N2OS,NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2,"InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)",FTALBRSUTCGOEG,UHFFFAOYSA,N,Riluzole,FTALBRSUTCGOEG-UHFFFAOYSA-N
HMDB14879,362.20932407,C21H30O5,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",JYGXADMDTFJGBT,VWUMJDOOSA,N,Hydrocortisone,JYGXADMDTFJGBT-VWUMJDOOSA-N
HMDB14881,1058.317829604,C36H62GdN5O21,[Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)CN(CCN(CCN(CC(O)=O)C(COCC1=CC=CC=C1)C([O-])=O)CC([O-])=O)CC([O-])=O,"InChI=1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1",OCDAWJYGVOLXGZ,VPVMAENOSA,K,Gadobenate Dimeglumine,OCDAWJYGVOLXGZ-VPVMAENOSA-K
HMDB14882,236.061948328,C11H12N2O2S,CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1,"InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)",MWLSOWXNZPKENC,UHFFFAOYSA,N,Zileuton,MWLSOWXNZPKENC-UHFFFAOYSA-N
HMDB14883,273.082349419,C15H15NO2S,NC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)",YFGHCGITMMYXAQ,UHFFFAOYSA,N,Modafinil,YFGHCGITMMYXAQ-UHFFFAOYSA-N
HMDB14884,560.353362542,C25H48N6O8,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,"InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)",UBQYURCVBFRUQT,UHFFFAOYSA,N,Deferoxamine,UBQYURCVBFRUQT-UHFFFAOYSA-N
HMDB14886,290.118590947,C16H19ClN2O,CN(C)CCOC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,"InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3",OJFSXZCBGQGRNV,UHFFFAOYSA,N,Carbinoxamine,OJFSXZCBGQGRNV-UHFFFAOYSA-N
HMDB14887,287.152143543,C17H21NO3,CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1,"InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)",NNYBQONXHNTVIJ,UHFFFAOYSA,N,Etodolac,NNYBQONXHNTVIJ-UHFFFAOYSA-N
HMDB14888,220.157563272,C13H20N2O,CCCNC(C)C(=O)NC1=CC=CC=C1C,"InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)",MVFGUOIZUNYYSO,UHFFFAOYSA,N,Prilocaine,MVFGUOIZUNYYSO-UHFFFAOYSA-N
HMDB14889,249.126597495,C16H15N3,NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21,"InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)",WHWZLSFABNNENI,UHFFFAOYSA,N,Epinastine,WHWZLSFABNNENI-UHFFFAOYSA-N
HMDB14890,133.089149357,C9H11N,N[C@@H]1CC1C1=CC=CC=C1,"InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8?,9-/m1/s1",AELCINSCMGFISI,YGPZHTELSA,N,Tranylcypromine,AELCINSCMGFISI-YGPZHTELSA-N
HMDB14891,183.971433418,C3H2ClF5O,FC(F)OC(Cl)C(F)(F)F,"InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H",PIWKPBJCKXDKJR,UHFFFAOYSA,N,Isoflurane,PIWKPBJCKXDKJR-UHFFFAOYSA-N
HMDB14892,204.089877638,C11H12N2O2,CCN1C(=O)NC(C1=O)C1=CC=CC=C1,"InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)",SZQIFWWUIBRPBZ,UHFFFAOYSA,N,Ethotoin,SZQIFWWUIBRPBZ-UHFFFAOYSA-N
HMDB14894,403.849895678,C13H6Cl6O2,OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl,"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2",ACGUYXCXAPNIKK,UHFFFAOYSA,N,Hexachlorophene,ACGUYXCXAPNIKK-UHFFFAOYSA-N
HMDB14895,324.147392516,C19H20N2O3,[H][C@]12CC(CC3CC(C1)C(=O)CN23)OC(=O)C1=CNC2=CC=CC=C12,"InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13?,14?/m1/s1",UKTAZPQNNNJVKR,DBBXXEFVSA,N,Dolasetron,UKTAZPQNNNJVKR-DBBXXEFVSA-N
HMDB14897,444.153265754,C22H24N2O8,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1",OFVLGDICTFRJMM,WESIUVDSSA,N,Tetracycline,OFVLGDICTFRJMM-WESIUVDSSA-N
HMDB14898,383.151491615,C17H25N3O5S,[H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H],"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1",DMJNNHOOLUXYBV,PQTSNVLCSA,N,Meropenem,DMJNNHOOLUXYBV-PQTSNVLCSA-N
HMDB14900,586.279134968,C33H38N4O6,CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=C1C=C(OC(=O)N1CCC(CC1)N1CCCCC1)C=C2,"InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1",UWKQSNNFCGGAFS,XIFFEERXSA,N,Irinotecan,UWKQSNNFCGGAFS-XIFFEERXSA-N
HMDB14901,114.025168892,C4H6N2S,CN1C=CNC1=S,"InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)",PMRYVIKBURPHAH,UHFFFAOYSA,N,Methimazole,PMRYVIKBURPHAH-UHFFFAOYSA-N
HMDB14902,426.136464798,C22H28Cl2O4,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",QLIIKPVHVRXHRI,CXSFZGCWSA,N,Mometasone,QLIIKPVHVRXHRI-CXSFZGCWSA-N
HMDB14903,195.089543287,C10H13NO3,C[C@](N)(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1",NHTGHBARYWONDQ,JTQLQIEISA,N,Metyrosine,NHTGHBARYWONDQ-JTQLQIEISA-N
HMDB14904,199.048072403,C8H9NO5,[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO,"InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1",HZZVJAQRINQKSD,PBFISZAISA,N,Clavulanate,HZZVJAQRINQKSD-PBFISZAISA-N
HMDB14905,404.231122144,C22H32N2O5,CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O,"InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3",JSZILQVIPPROJI,UHFFFAOYSA,N,Benzquinamide,JSZILQVIPPROJI-UHFFFAOYSA-N
HMDB14906,337.167793607,C21H23NO3,CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2,"InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-",JBIMVDZLSHOPLA,LSCVHKIXSA,N,Olopatadine,JBIMVDZLSHOPLA-LSCVHKIXSA-N
HMDB14907,475.293388049,C27H41NO6,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C27H41NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",FWFVLWGEFDIZMJ,FOMYWIRZSA,N,Hydrocortamate,FWFVLWGEFDIZMJ-FOMYWIRZSA-N
HMDB14909,352.191268703,C22H26NO3,C[N@@+]12CC[C@@H](CC1)C(C2)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1/t17-,20?,23+",HOOSGZJRQIVJSZ,NNBUQUNQSA,N,Clidinium,HOOSGZJRQIVJSZ-NNBUQUNQSA-N
HMDB14910,330.036066232,C10H19O6PS2,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3",JXSJBGJIGXNWCI,UHFFFAOYSA,N,Malathion,JXSJBGJIGXNWCI-UHFFFAOYSA-N
HMDB14911,588.18429111,C29H32O13,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O,"InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1",VJJPUSNTGOMMGY,MRVIYFEKSA,N,Etoposide,VJJPUSNTGOMMGY-MRVIYFEKSA-N
HMDB14912,330.990831754,C8H8F3N3O4S2,NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F,"InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)",DMDGGSIALPNSEE,UHFFFAOYSA,N,Hydroflumethiazide,DMDGGSIALPNSEE-UHFFFAOYSA-N
HMDB14913,440.234492962,C22H36N2O5S,CCCCS(=O)(=O)N[C@@H](CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(O)=O,"InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1",COKMIXFXJJXBQG,NRFANRHFSA,N,Tirofiban,COKMIXFXJJXBQG-NRFANRHFSA-N
HMDB14914,252.089877638,C15H12N2O2,NC(=O)N1C2=CC=CC=C2CC(=O)C2=CC=CC=C12,"InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)",CTRLABGOLIVAIY,UHFFFAOYSA,N,Oxcarbazepine,CTRLABGOLIVAIY-UHFFFAOYSA-N
HMDB14915,340.16093409,C20H24N2OS,CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1,"InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3",UVOIBTBFPOZKGP,UHFFFAOYSA,N,Propiomazine,UVOIBTBFPOZKGP-UHFFFAOYSA-N
HMDB14916,836.524569772,C41H76N2O15,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1",RXZBMPWDPOLZGW,HITVVWEBSA,N,Roxithromycin,RXZBMPWDPOLZGW-HITVVWEBSA-N
HMDB14917,232.08479226,C12H12N2O3,CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2,"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)",MHWLWQUZZRMNGJ,UHFFFAOYSA,N,Nalidixic Acid,MHWLWQUZZRMNGJ-UHFFFAOYSA-N
HMDB14918,136.100048394,C8H12N2,NNCCC1=CC=CC=C1,"InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2",RMUCZJUITONUFY,UHFFFAOYSA,N,Phenelzine,RMUCZJUITONUFY-UHFFFAOYSA-N
HMDB14919,1202.749927302,C56H98N16O13,CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCN)NC1=O)C(C)O,"InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)",WQVJHHACXVLGBL,UHFFFAOYSA,N,Polymyxin B Sulfate,WQVJHHACXVLGBL-UHFFFAOYSA-N
HMDB14920,368.222568831,C23H30NO3,CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C,"InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1",VVWYOYDLCMFIEM,UHFFFAOYSA,N,Propantheline,VVWYOYDLCMFIEM-UHFFFAOYSA-N
HMDB14922,241.110278729,C15H15NO2,CC1=C(C)C(NC2=CC=CC=C2C(O)=O)=CC=C1,"InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)",HYYBABOKPJLUIN,UHFFFAOYSA,N,Mefenamic acid,HYYBABOKPJLUIN-UHFFFAOYSA-N
HMDB14924,331.210721053,C15H29N3O5,CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C,"InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1",OCSMOTCMPXTDND,OUAUKWLOSA,N,Marimastat,OCSMOTCMPXTDND-OUAUKWLOSA-N
HMDB14925,225.086189243,C8H11N5O3,NC1=NC(=O)C2=C(N1)N(COCCO)C=N2,"InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)",MKUXAQIIEYXACX,UHFFFAOYSA,N,Aciclovir,MKUXAQIIEYXACX-UHFFFAOYSA-N
HMDB14927,938.260314726,C28H54GdN5O20,[Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O,"InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1",LGMLJQFQKXPRGA,VPVMAENOSA,K,Gadopentetate dimeglumine,LGMLJQFQKXPRGA-VPVMAENOSA-K
HMDB14928,368.231122144,C19H32N2O5,[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O,"InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1",IPVQLZZIHOAWMC,QXKUPLGCSA,N,Perindopril,IPVQLZZIHOAWMC-QXKUPLGCSA-N
HMDB14929,251.022832025,C8H11Cl2N3O2,ClCCN(CCCl)C1=CNC(=O)NC1=O,"InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)",IDPUKCWIGUEADI,UHFFFAOYSA,N,Uracil mustard,IDPUKCWIGUEADI-UHFFFAOYSA-N
HMDB14930,255.173547687,C16H21N3,CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1,"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",UFLGIAIHIAPJJC,UHFFFAOYSA,N,Tripelennamine,UFLGIAIHIAPJJC-UHFFFAOYSA-N
HMDB14931,359.837241291,C9H4Cl3IO,ClC1=CC(Cl)=C(Cl)C=C1OCC#CI,"InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2",CTETYYAZBPJBHE,UHFFFAOYSA,N,Haloprogin,CTETYYAZBPJBHE-UHFFFAOYSA-N
HMDB14932,218.105527702,C12H14N2O2,CCC1(C(=O)NCNC1=O)C1=CC=CC=C1,"InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)",DQMZLTXERSFNPB,UHFFFAOYSA,N,Primidone,DQMZLTXERSFNPB-UHFFFAOYSA-N
HMDB14933,398.068490268,C18H14N4O5S,OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1,"InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+",NCEXYHBECQHGNR,QZQOTICOSA,N,Sulfasalazine,NCEXYHBECQHGNR-QZQOTICOSA-N
HMDB14934,440.159688536,C24H20N6O3,CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,"InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)",HTQMVQVXFRQIKW,UHFFFAOYSA,N,Candesartan,HTQMVQVXFRQIKW-UHFFFAOYSA-N
HMDB14935,160.100048394,C10H12N2,C(C1=NCCN1)C1=CC=CC=C1,"InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)",JIVZKJJQOZQXQB,UHFFFAOYSA,N,Tolazoline,JIVZKJJQOZQXQB-UHFFFAOYSA-N
HMDB14936,477.316248755,C21H43N5O7,CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1,"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3",CEAZRRDELHUEMR,UHFFFAOYSA,N,Gentamicin,CEAZRRDELHUEMR-UHFFFAOYSA-N
HMDB14937,351.129299611,C21H21NO2S,CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1,"InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3",OGQICQVSFDPSEI,UHFFFAOYSA,N,Tazarotene,OGQICQVSFDPSEI-UHFFFAOYSA-N
HMDB14938,305.08187109,C16H16ClNO3,OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(O)=C(O)C=C12,"InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2",TVURRHSHRRELCG,UHFFFAOYSA,N,Fenoldopam,TVURRHSHRRELCG-UHFFFAOYSA-N
HMDB14939,352.059025338,C17H12ClF3N2O,FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1,"InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2",WYCLKVQLVUQKNZ,UHFFFAOYSA,N,Halazepam,WYCLKVQLVUQKNZ-UHFFFAOYSA-N
HMDB14940,416.25358892,C21H32N6O3,CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O,"InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3",IDBPHNDTYPBSNI,UHFFFAOYSA,N,Alfentanil,IDBPHNDTYPBSNI-UHFFFAOYSA-N
HMDB14941,1154.749927302,C52H98N16O13,[H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCC(C)CC)[C@@H](C)O)[C@@H](C)O,"InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1",YKQOSKADJPQZHB,QNPLFGSASA,N,Colistin,YKQOSKADJPQZHB-QNPLFGSASA-N
HMDB14942,309.266779369,C19H35NO2,CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1,"InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3",CURUTKGFNZGFSE,UHFFFAOYSA,N,Dicyclomine,CURUTKGFNZGFSE-UHFFFAOYSA-N
HMDB14943,298.179361346,C17H22N4O,CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1,"InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)",LDMWSLGGVTVJPG,UHFFFAOYSA,N,Minaprine,LDMWSLGGVTVJPG-UHFFFAOYSA-N
HMDB14944,278.137890462,C13H18N4O3,CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C,"InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3",BYPFEZZEUUWMEJ,UHFFFAOYSA,N,Pentoxifylline,BYPFEZZEUUWMEJ-UHFFFAOYSA-N
HMDB14945,294.194342708,C16H26N2O3,CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC,"InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3",KCLANYCVBBTKTO,UHFFFAOYSA,N,Proparacaine,KCLANYCVBBTKTO-UHFFFAOYSA-N
HMDB14946,365.06008979,C16H16ClN3O3S,CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O,"InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)",NDDAHWYSQHTHNT,UHFFFAOYSA,N,Indapamide,NDDAHWYSQHTHNT-UHFFFAOYSA-N
HMDB14947,284.152477894,C17H20N2O2,CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1,"InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3",BGDKAVGWHJFAGW,UHFFFAOYSA,N,Tropicamide,BGDKAVGWHJFAGW-UHFFFAOYSA-N
HMDB14948,311.224914555,C21H29NO,OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1,"InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2",YSXKPIUOCJLQIE,UHFFFAOYSA,N,Biperiden,YSXKPIUOCJLQIE-UHFFFAOYSA-N
HMDB14949,244.080769514,C8H12N4O5,NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1",IWUCXVSUMQZMFG,AFCXAGJDSA,N,Ribavirin,IWUCXVSUMQZMFG-AFCXAGJDSA-N
HMDB14950,308.152477894,C19H20N2O2,CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",VYMDGNCVAMGZFE,UHFFFAOYSA,N,Phenylbutazone,VYMDGNCVAMGZFE-UHFFFAOYSA-N
HMDB14951,336.220163528,C22H28N2O,CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3",PJMPHNIQZUBGLI,UHFFFAOYSA,N,Fentanyl,PJMPHNIQZUBGLI-UHFFFAOYSA-N
HMDB14952,351.034747299,C14H13N3O4S2,CN1C(C(=O)NC2=NC=C(C)S2)=C(O)C2=C(C=CC=C2)S1(=O)=O,"InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)",ZRVUJXDFFKFLMG,UHFFFAOYSA,N,Meloxicam,ZRVUJXDFFKFLMG-UHFFFAOYSA-N
HMDB14954,211.120843415,C11H17NO3,CC(C)NCC(O)C1=CC(O)=CC(O)=C1,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3",LMOINURANNBYCM,UHFFFAOYSA,N,Orciprenaline,LMOINURANNBYCM-UHFFFAOYSA-N
HMDB14955,294.100442324,C17H14N2O3,CCN1C=C(C(O)=O)C(=O)C2=C1C=C(C=C2)C1=CC=NC=C1,"InChI=1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)",XBPZXDSZHPDXQU,UHFFFAOYSA,N,Rosoxacin,XBPZXDSZHPDXQU-UHFFFAOYSA-N
HMDB14956,178.135765198,C12H18O,CC(C)C1=CC=CC(C(C)C)=C1O,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3",OLBCVFGFOZPWHH,UHFFFAOYSA,N,Propofol,OLBCVFGFOZPWHH-UHFFFAOYSA-N
HMDB14957,221.988131458,C4H6N4O3S2,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,"InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)",BZKPWHYZMXOIDC,UHFFFAOYSA,N,Acetazolamide,BZKPWHYZMXOIDC-UHFFFAOYSA-N
HMDB14958,389.137556111,C22H19N3O4,[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1,"InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1",WOXKDUGGOYFFRN,IIBYNOLFSA,N,Tadalafil,WOXKDUGGOYFFRN-IIBYNOLFSA-N
HMDB14959,273.05565634,C15H12ClNO2,CC(C(O)=O)C1=CC2=C(C=C1)C1=C(N2)C=CC(Cl)=C1,"InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)",PUXBGTOOZJQSKH,UHFFFAOYSA,N,Carprofen,PUXBGTOOZJQSKH-UHFFFAOYSA-N
HMDB14960,296.05093141,C10H20N2S4,CCN(CC)C(=S)SSC(=S)N(CC)CC,"InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3",AUZONCFQVSMFAP,UHFFFAOYSA,N,Disulfiram,AUZONCFQVSMFAP-UHFFFAOYSA-N
HMDB14961,384.230059512,C24H32O4,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H],"InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1",ONKUMRGIYFNPJW,KIEAKMPYSA,N,Ethynodiol Diacetate,ONKUMRGIYFNPJW-KIEAKMPYSA-N
HMDB14962,194.080375584,C8H10N4O2,CCCN1C2=C(NC=N2)C(=O)NC1=O,"InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)",SIQPXVQCUCHWDI,UHFFFAOYSA,N,Enprofylline,SIQPXVQCUCHWDI-UHFFFAOYSA-N
HMDB14964,665.304740595,C33H47NO13,C[C@H]1OC(O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O,"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32?,33-/m1/s1",NCXMLFZGDNKEPB,BQGNJOPGSA,N,Natamycin,NCXMLFZGDNKEPB-BQGNJOPGSA-N
HMDB14965,262.05897144,C12H10N2O5,CCN1N=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12,"InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)",VDUWPHTZYNWKRN,UHFFFAOYSA,N,Cinoxacin,VDUWPHTZYNWKRN-UHFFFAOYSA-N
HMDB14966,138.008195224,C3H7O4P,C[C@@H]1O[C@@H]1P(O)(O)=O,"InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1",YMDXZJFXQJVXBF,STHAYSLISA,N,Fosfomycin,YMDXZJFXQJVXBF-STHAYSLISA-N
HMDB14967,284.071640755,C16H13ClN2O,CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",AAOVKJBEBIDNHE,UHFFFAOYSA,N,Diazepam,AAOVKJBEBIDNHE-UHFFFAOYSA-N
HMDB14968,177.115364107,C11H15NO,CC1NCCOC1C1=CC=CC=C1,"InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3",OOBHFESNSZDWIU,UHFFFAOYSA,N,Phenmetrazine,OOBHFESNSZDWIU-UHFFFAOYSA-N
HMDB14969,407.164303088,C21H24F3N3S,CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1,"InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3",ZEWQUBUPAILYHI,UHFFFAOYSA,N,Trifluoperazine,ZEWQUBUPAILYHI-UHFFFAOYSA-N
HMDB14970,189.078978601,C11H11NO2,CN1C(=O)CC(C1=O)C1=CC=CC=C1,"InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",WLWFNJKHKGIJNW,UHFFFAOYSA,N,Phensuximide,WLWFNJKHKGIJNW-UHFFFAOYSA-N
HMDB14971,367.039354348,C15H14ClN3O4S,[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,"InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1",QYIYFLOTGYLRGG,GPCCPHFNSA,N,Cefaclor,QYIYFLOTGYLRGG-GPCCPHFNSA-N
HMDB14972,429.266779369,C29H35NO2,[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1",VKHAHZOOUSRJNA,GCNJZUOMSA,N,Mifepristone,VKHAHZOOUSRJNA-GCNJZUOMSA-N
HMDB14975,334.088433678,C17H16ClFN2O2,NC(=O)CCCN\C(C1=CC=C(Cl)C=C1)=C1/C=C(F)C=CC1=O,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,21H,1-2,9H2,(H2,20,23)/b17-14+",DWEQWXSKOHHBNT,SAPNQHFASA,N,Progabide,DWEQWXSKOHHBNT-SAPNQHFASA-N
HMDB14976,410.166015296,C22H28ClFO4,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1",YMTMADLUXIRMGX,RFPWEZLHSA,N,Clocortolone,YMTMADLUXIRMGX-RFPWEZLHSA-N
HMDB14977,311.130362243,C14H21N3O3S,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1,"InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)",OUDSBRTVNLOZBN,UHFFFAOYSA,N,Tolazamide,OUDSBRTVNLOZBN-UHFFFAOYSA-N
HMDB14979,301.167793607,C18H23NO3,CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3",JRWZLRBJNMZMFE,UHFFFAOYSA,N,Dobutamine,JRWZLRBJNMZMFE-UHFFFAOYSA-N
HMDB14980,286.050905313,C15H11ClN2O2,OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)",ADIMAYPTOBDMTL,UHFFFAOYSA,N,Oxazepam,ADIMAYPTOBDMTL-UHFFFAOYSA-N
HMDB14982,357.194008357,C21H27NO4,O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5,"InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1",NETZHAKZCGBWSS,CEDHKZHLSA,N,Nalbuphine,NETZHAKZCGBWSS-CEDHKZHLSA-N
HMDB14983,472.122152138,C27H22Cl2N4,CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1,"InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3",WDQPAMHFFCXSNU,UHFFFAOYSA,N,Clofazimine,WDQPAMHFFCXSNU-UHFFFAOYSA-N
HMDB14984,436.226116993,C24H33FO6,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,"InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",POPFMWWJOGLOIF,XWCQMRHXSA,N,Flurandrenolide,POPFMWWJOGLOIF-XWCQMRHXSA-N
HMDB14986,204.072119084,C11H12N2S,C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1,"InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1",HLFSDGLLUJUHTE,SNVBAGLBSA,N,Levamisole,HLFSDGLLUJUHTE-SNVBAGLBSA-N
HMDB14987,246.100442324,C13H14N2O3,CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1,"InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)",ALARQZQTBTVLJV,UHFFFAOYSA,N,Methylphenobarbital,ALARQZQTBTVLJV-UHFFFAOYSA-N
HMDB14988,403.148510866,C21H26ClN3OS,OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2",RGCVKNLCSQQDEP,UHFFFAOYSA,N,Perphenazine,RGCVKNLCSQQDEP-UHFFFAOYSA-N
HMDB14989,182.091608972,C6H10N6O,CN(C)N=NC1=C(N=CN1)C(N)=O,"InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)",FDKXTQMXEQVLRF,UHFFFAOYSA,N,Dacarbazine,FDKXTQMXEQVLRF-UHFFFAOYSA-N
HMDB14991,194.055223466,C6H6N6O2,CN1N=NC2=C(N=CN2C1=O)C(N)=O,"InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)",BPEGJWRSRHCHSN,UHFFFAOYSA,N,Temozolomide,BPEGJWRSRHCHSN-UHFFFAOYSA-N
HMDB14992,257.177964363,C17H23NO,[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1",JAQUASYNZVUNQP,USXIJHARSA,N,Levorphanol,JAQUASYNZVUNQP-USXIJHARSA-N
HMDB14994,202.039671925,C9H11ClO3,OCC(O)COC1=CC=C(Cl)C=C1,"InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2",MXOAEAUPQDYUQM,UHFFFAOYSA,N,Chlorphenesin,MXOAEAUPQDYUQM-UHFFFAOYSA-N
HMDB14995,291.198699805,C21H25N,CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12,"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+",DOMXUEMWDBAQBQ,WEVVVXLNSA,N,Terbinafine,DOMXUEMWDBAQBQ-WEVVVXLNSA-N
HMDB14996,304.240230268,C20H32O2,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C,"InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20+/m1/s1",IKXILDNPCZPPRV,RFMGOVQKSA,N,Drostanolone,IKXILDNPCZPPRV-RFMGOVQKSA-N
HMDB14997,149.051049291,C5H11NO2S,CC(C)(S)C(N)C(O)=O,"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)",VVNCNSJFMMFHPL,UHFFFAOYSA,N,Penicillamine,VVNCNSJFMMFHPL-UHFFFAOYSA-N
HMDB14998,360.193674006,C21H28O5,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",OIGNJSKKLXVSLS,VWUMJDOOSA,N,Prednisolone,OIGNJSKKLXVSLS-VWUMJDOOSA-N
HMDB14999,250.044150532,C13H8F2O3,OC(=O)C1=C(O)C=CC(=C1)C1=C(F)C=C(F)C=C1,"InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)",HUPFGZXOMWLGNK,UHFFFAOYSA,N,Diflunisal,HUPFGZXOMWLGNK-UHFFFAOYSA-N
HMDB15000,488.220574232,C23H32N6O4S,CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1,"InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)",SECKRCOLJRRGGV,UHFFFAOYSA,N,Vardenafil,SECKRCOLJRRGGV-UHFFFAOYSA-N
HMDB15002,803.481976677,C44H69NO12,CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",QJJXYPPXXYFBGM,LFZNUXCKSA,N,Tacrolimus,QJJXYPPXXYFBGM-LFZNUXCKSA-N
HMDB15003,239.167399677,C17H21N,C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1,"InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1",YXKTVDFXDRQTKV,HNNXBMFYSA,N,Benzphetamine,YXKTVDFXDRQTKV-HNNXBMFYSA-N
HMDB15004,249.172878985,C15H23NO2,CC(C)NCC(O)COC1=CC=CC=C1CC=C,"InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3",PAZJSJFMUHDSTF,UHFFFAOYSA,N,Alprenolol,PAZJSJFMUHDSTF-UHFFFAOYSA-N
HMDB15005,287.152143543,C17H21NO3,C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1,"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1",IOVGROKTTNBUGK,SJCJKPOMSA,N,Ritodrine,IOVGROKTTNBUGK-SJCJKPOMSA-N
HMDB15006,603.361861543,C30H53NO11,CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,"InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3",MAFMQEKGGFWBAB,UHFFFAOYSA,N,Benzonatate,MAFMQEKGGFWBAB-UHFFFAOYSA-N
HMDB15007,324.02721908,C10H16N2O4S3,CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,"InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1",IAVUPMFITXYVAF,XPUUQOCRSA,N,Dorzolamide,IAVUPMFITXYVAF-XPUUQOCRSA-N
HMDB15008,260.05071494,C14H12O3S,CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1,"InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)",MDKGKXOCJGEUJW,UHFFFAOYSA,N,Suprofen,MDKGKXOCJGEUJW-UHFFFAOYSA-N
HMDB15009,225.136493479,C12H19NO3,CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3",XWTYSIMOBUGWOL,UHFFFAOYSA,N,Terbutaline,XWTYSIMOBUGWOL-UHFFFAOYSA-N
HMDB15010,498.205576096,C32H26N4O2,CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1,"InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)",IKENVDNFQMCRTR,UHFFFAOYSA,N,Conivaptan,IKENVDNFQMCRTR-UHFFFAOYSA-N
HMDB15011,394.154701681,C21H27ClO5,[H][C@@]12CC[C@](O)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C21H27ClO5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,14-17,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1",YPZVAYHNBBHPTO,MXRBDKCISA,N,Loteprednol,YPZVAYHNBBHPTO-MXRBDKCISA-N
HMDB15013,436.179618801,C23H27F3N2OS,[H]C(CCN1CCN(CCO)CC1)=C1C2C=C(C=CC2SC2=C1C=CC=C2)C(F)(F)F,"InChI=1S/C23H27F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,20,22,29H,3,9-15H2",DTTVNHWDONBIKE,UHFFFAOYSA,N,Flupenthixol,DTTVNHWDONBIKE-UHFFFAOYSA-N
HMDB15014,424.145677956,C23H24N2O4S,CCCCC1=NC=C(\C=C(/CC2=CC=CS2)C(O)=O)N1CC1=CC=C(C=C1)C(O)=O,"InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+",OROAFUQRIXKEMV,LDADJPATSA,N,Eprosartan,OROAFUQRIXKEMV-LDADJPATSA-N
HMDB15015,913.555141619,C51H79NO13,[H][C@@]1(C[C@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC,"InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33+,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1",QFJCIRLUMZQUOT,KLHQEZAJSA,N,Sirolimus,QFJCIRLUMZQUOT-KLHQEZAJSA-N
HMDB15016,504.203196424,C22H30Cl2N10,ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)",GHXZTYHSJHQHIJ,UHFFFAOYSA,N,Chlorhexidine,GHXZTYHSJHQHIJ-UHFFFAOYSA-N
HMDB15017,247.042690096,C8H10FN3O3S,NC1=NC(=O)N(C=C1F)[C@@H]1CS[C@H](CO)O1,"InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1",XQSPYNMVSIKCOC,NTSWFWBYSA,N,Emtricitabine,XQSPYNMVSIKCOC-NTSWFWBYSA-N
HMDB15018,294.948824782,C7H6ClN3O4S2,NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1,"InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)",JBMKAUGHUNFTOL,UHFFFAOYSA,N,Chlorothiazide,JBMKAUGHUNFTOL-UHFFFAOYSA-N
HMDB15019,438.21547208,C25H30N2O5,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O,"InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1",JSDRRTOADPPCHY,HSQYWUDLSA,N,Quinapril,JSDRRTOADPPCHY-HSQYWUDLSA-N
HMDB15020,405.18594223,C26H28ClNO,CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3",GKIRPKYJQBWNGO,UHFFFAOYSA,N,Clomifene,GKIRPKYJQBWNGO-UHFFFAOYSA-N
HMDB15021,236.028065242,C6H8N2O8,[H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O,"InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1",MOYKHGMNXAOIAT,JGWLITMVSA,N,Isosorbide Dinitrate,MOYKHGMNXAOIAT-JGWLITMVSA-N
HMDB15022,283.001074735,C7H11NO7P2,OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)",IIDJRNMFWXDHID,UHFFFAOYSA,N,Risedronate,IIDJRNMFWXDHID-UHFFFAOYSA-N
HMDB15023,228.075958908,C10H8N6O,CC1=CC=CN2C(=O)C(=CN=C12)C1=NNN=N1,"InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)",HIANJWSAHKJQTH,UHFFFAOYSA,N,Pemirolast,HIANJWSAHKJQTH-UHFFFAOYSA-N
HMDB15024,364.10929245,C17H20N2O5S,CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O,"InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)",MAEIEVLCKWDQJH,UHFFFAOYSA,N,Bumetanide,MAEIEVLCKWDQJH-UHFFFAOYSA-N
HMDB15025,155.026854771,C5H11Cl2N,CN(CCCl)CCCl,"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3",HAWPXGHAZFHHAD,UHFFFAOYSA,N,Mechlorethamine,HAWPXGHAZFHHAD-UHFFFAOYSA-N
HMDB15026,312.19501141,C18H24N4O,CN1N=C(C(=O)NC2CC3CCCC(C2)N3C)C2=CC=CC=C12,"InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)",MFWNKCLOYSRHCJ,UHFFFAOYSA,N,Granisetron,MFWNKCLOYSRHCJ-UHFFFAOYSA-N
HMDB15027,266.13067982,C18H18O2,CC=C(C(=CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3",NFDFQCUYFHCNBW,UHFFFAOYSA,N,Dienestrol,NFDFQCUYFHCNBW-UHFFFAOYSA-N
HMDB15028,249.057197301,C11H11N3O2S,NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1,"InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)",GECHUMIMRBOMGK,UHFFFAOYSA,N,Sulfapyridine,GECHUMIMRBOMGK-UHFFFAOYSA-N
HMDB15029,308.209992772,C17H28N2O3,CCCCOC1=C(N)C=CC(=C1)C(=O)OCCN(CC)CC,"InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3",CMHHMUWAYWTMGS,UHFFFAOYSA,N,Oxybuprocaine,CMHHMUWAYWTMGS-UHFFFAOYSA-N
HMDB15031,300.172544634,C19H24O3,[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H],"InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1",BPEWUONYVDABNZ,DZBHQSCQSA,N,Testolactone,BPEWUONYVDABNZ-DZBHQSCQSA-N
HMDB15033,370.250794954,C24H34O3,CCC(=O)[C@@]1(C)[C@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@]12C,"InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17?,18?,19+,21?,22+,23+,24-/m1/s1",QTTRZHGPGKRAFB,PAIWTFDUSA,N,Rimexolone,QTTRZHGPGKRAFB-PAIWTFDUSA-N
HMDB15034,342.043901818,C17H12Cl2N4,CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3",JOFWLTCLBGQGBO,UHFFFAOYSA,N,Triazolam,JOFWLTCLBGQGBO-UHFFFAOYSA-N
HMDB15036,376.199822016,C20H28N2O5,CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC,"InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3",ZTVQQQVZCWLTDF,UHFFFAOYSA,N,Remifentanil,ZTVQQQVZCWLTDF-UHFFFAOYSA-N
HMDB15037,236.09094027,C10H12N4O3,OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1NC=NC2=O,"InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1",BXZVVICBKDXVGW,NKWVEPMBSA,N,Didanosine,BXZVVICBKDXVGW-NKWVEPMBSA-N
HMDB15038,296.13471934,C18H20N2S,CN1CCC(CN2C3=CC=CC=C3SC3=CC=CC=C23)C1,"InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3",HTMIBDQKFHUPSX,UHFFFAOYSA,N,Methdilazine,HTMIBDQKFHUPSX-UHFFFAOYSA-N
HMDB15039,302.011264286,C13H12Cl2O4,CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1,"InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)",AVOLMBLBETYQHX,UHFFFAOYSA,N,Ethacrynic acid,AVOLMBLBETYQHX-UHFFFAOYSA-N
HMDB15041,415.272258677,C25H37NO4,CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1,"InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1",AQOKCDNYWBIDND,FTOWTWDKSA,N,Bimatoprost,AQOKCDNYWBIDND-FTOWTWDKSA-N
HMDB15042,375.132670429,C20H25NO2S2,CC1=C(SC=C1)C(=CCCN1CCC[C@H](C1)C(O)=O)C1=C(C)C=CS1,"InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1",PBJUNZJWGZTSKL,MRXNPFEDSA,N,Tiagabine,PBJUNZJWGZTSKL-MRXNPFEDSA-N
HMDB15043,303.147058165,C17H21NO4,[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1",ZPUCINDJVBIVPJ,LJISPDSOSA,N,Cocaine,ZPUCINDJVBIVPJ-LJISPDSOSA-N
HMDB15044,324.183778022,C20H24N2O2,[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1",LOUPRKONTZGTKE,LHHVKLHASA,N,Quinidine,LOUPRKONTZGTKE-LHHVKLHASA-N
HMDB15045,212.025562822,C8H8N2O3S,NS(=O)(=O)CC1=NOC2=CC=CC=C12,"InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)",UBQNRHZMVUUOMG,UHFFFAOYSA,N,Zonisamide,UBQNRHZMVUUOMG-UHFFFAOYSA-N
HMDB15046,416.329045274,C27H44O3,[H]C1CC[C@]2(C)[C@]([H])(CC[C@@]2([H])\C1=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(O)(C)C,"InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1",BPKAHTKRCLCHEA,UBFJEZKGSA,N,Paricalcitol,BPKAHTKRCLCHEA-UBFJEZKGSA-N
HMDB15047,247.062676609,C8H13N3O4S,CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O,"InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3",HJLSLZFTEKNLFI,UHFFFAOYSA,N,Tinidazole,HJLSLZFTEKNLFI-UHFFFAOYSA-N
HMDB15048,452.26750765,C27H36N2O4,CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O,"InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1",FAEKWTJYAYMJKF,QHCPKHFHSA,N,Repaglinide,FAEKWTJYAYMJKF-QHCPKHFHSA-N
HMDB15049,352.21507815,C22H28N2O2,CCOC(=O)C1(CCN(CCC2=CC=C(N)C=C2)CC1)C1=CC=CC=C1,"InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3",LKYQLAWMNBFNJT,UHFFFAOYSA,N,Anileridine,LKYQLAWMNBFNJT-UHFFFAOYSA-N
HMDB15050,205.132745505,C10H15N5,NC(=N)NC(=N)NCCC1=CC=CC=C1,"InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)",ICFJFFQQTFMIBG,UHFFFAOYSA,N,Phenformin,ICFJFFQQTFMIBG-UHFFFAOYSA-N
HMDB15051,151.136099549,C10H17N,NC12CC3CC(CC(C3)C1)C2,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2",DKNWSYNQZKUICI,UHFFFAOYSA,N,Amantadine,DKNWSYNQZKUICI-UHFFFAOYSA-N
HMDB15052,171.064391169,C6H9N3O3,CC1=NC=C(N1CCO)[N+]([O-])=O,"InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3",VAOCPAMSLUNLGC,UHFFFAOYSA,N,Metronidazole,VAOCPAMSLUNLGC-UHFFFAOYSA-N
HMDB15054,335.166747749,C17H25N3O2S,CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2,"InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3",WKEMJKQOLOHJLZ,UHFFFAOYSA,N,Almotriptan,WKEMJKQOLOHJLZ-UHFFFAOYSA-N
HMDB15055,332.158351132,C14H24N2O7,[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2,"InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1",UNFWWIHTNXNPBV,WXKVUWSESA,N,Spectinomycin,UNFWWIHTNXNPBV-WXKVUWSESA-N
HMDB15056,309.118734925,C19H19NOS,CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12,"InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3",ZCVMWBYGMWKGHF,UHFFFAOYSA,N,Ketotifen,ZCVMWBYGMWKGHF-UHFFFAOYSA-N
HMDB15057,467.303558805,C29H41NO4,CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4,"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1",RMRJXGBAOAMLHD,IHFGGWKQSA,N,Buprenorphine,RMRJXGBAOAMLHD-IHFGGWKQSA-N
HMDB15058,280.107259036,C14H12N6O,C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1,"InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1",WHXMKTBCFHIYNQ,SECBINFHSA,N,Levosimendan,WHXMKTBCFHIYNQ-SECBINFHSA-N
HMDB15059,519.099472819,C20H21N7O6S2,[H][C@]12SCC(CSC3=NN=NN3CC(O)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1CN)C(O)=O,"InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1",SLAYUXIURFNXPG,CRAIPNDOSA,N,Ceforanide,SLAYUXIURFNXPG-CRAIPNDOSA-N
HMDB15060,275.167399677,C20H21N,CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12,"InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3",JURKNVYFZMSNLP,UHFFFAOYSA,N,Cyclobenzaprine,JURKNVYFZMSNLP-UHFFFAOYSA-N
HMDB15061,303.138992038,C18H22ClNO,CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1,"InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3",QZVCTJOXCFMACW,UHFFFAOYSA,N,Phenoxybenzamine,QZVCTJOXCFMACW-UHFFFAOYSA-N
HMDB15063,244.080769514,C8H12N4O5,NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1",NMUSYJAQQFHJEW,KVTDHHQDSA,N,Azacitidine,NMUSYJAQQFHJEW-KVTDHHQDSA-N
HMDB15064,382.271924326,C22H38O5,CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC,"InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1",OJLOPKGSLYJEMD,URPKTTJQSA,N,Misoprostol,OJLOPKGSLYJEMD-URPKTTJQSA-N
HMDB15066,442.13761569,C22H22N2O8,CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)C1=O,"InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,13-15,17,25,27,29,32H,1H2,2-3H3,(H2,23,31)/t10-,13?,14-,15+,17+,22+/m1/s1",IWFHNYCDKMICPE,LKTMJOCVSA,N,Methacycline,IWFHNYCDKMICPE-LKTMJOCVSA-N
HMDB15067,602.206227481,C31H33F3N2O5S,CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C([C@H](CC)C2=CC(NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=CC=C2)=C(O)O1,"InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36,38H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1",NZPXPXAGXYTROM,FYBSXPHGSA,N,Tipranavir,NZPXPXAGXYTROM-FYBSXPHGSA-N
HMDB15068,386.148654844,C21H26N2OS2,CN1CCCCC1CCN1C2=CC=CC=C2SC2=C1C=C(C=C2)S(C)=O,"InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",SLVMESMUVMCQIY,UHFFFAOYSA,N,Mesoridazine,SLVMESMUVMCQIY-UHFFFAOYSA-N
HMDB15069,277.183049741,C20H23N,CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21,"InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3",QSLMDECMDJKHMQ,UHFFFAOYSA,N,Maprotiline,QSLMDECMDJKHMQ-UHFFFAOYSA-N
HMDB15070,260.1888634,C16H24N2O,CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C,"InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)",WYWIFABBXFUGLM,UHFFFAOYSA,N,Oxymetazoline,WYWIFABBXFUGLM-UHFFFAOYSA-N
HMDB15072,205.146664235,C13H19NO,CCN(CC)C(C)C(=O)C1=CC=CC=C1,"InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3",XXEPPPIWZFICOJ,UHFFFAOYSA,N,Diethylpropion,XXEPPPIWZFICOJ-UHFFFAOYSA-N
HMDB15073,415.272258677,C25H37NO4,OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1,"InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2",GIIZNNXWQWCKIB,UHFFFAOYSA,N,Salmeterol,GIIZNNXWQWCKIB-UHFFFAOYSA-N
HMDB15074,295.016684015,C14H11Cl2NO2,CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",SBDNJUWAMKYJOX,UHFFFAOYSA,N,Meclofenamic acid,SBDNJUWAMKYJOX-UHFFFAOYSA-N
HMDB15075,340.191268703,C21H26NO3,CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12,"InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1",GZHFODJQISUKAY,UHFFFAOYSA,N,Methantheline,GZHFODJQISUKAY-UHFFFAOYSA-N
HMDB15076,532.381749546,C38H48N2,CC.C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2,"InChI=1S/C36H42N2.C2H6/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;1-2/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;1-2H3/q+2;",UUNOBWWOFTYQRY,UHFFFAOYSA,N,Hexafluronium,UUNOBWWOFTYQRY-UHFFFAOYSA-N
HMDB15077,287.224914555,C19H29NO,OC(CCN1CCCCC1)(C1CCCC1)C1=CC=CC=C1,"InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2",SWRUZBWLEWHWRI,UHFFFAOYSA,N,Cycrimine,SWRUZBWLEWHWRI-UHFFFAOYSA-N
HMDB15078,211.095691297,C9H13N3O3,NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O1,"InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1",WREGKURFCTUGRC,POYBYMJQSA,N,Zalcitabine,WREGKURFCTUGRC-POYBYMJQSA-N
HMDB15079,556.398856172,C32H52N4O4,CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C,"InChI=1S/C32H52N4O4/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8/h17-22,25-26H,9-16,23-24H2,1-8H3/q+2",RWZVPVOZTJJMNU,UHFFFAOYSA,N,Demecarium,RWZVPVOZTJJMNU-UHFFFAOYSA-N
HMDB15081,280.109944378,C18H16O3,CCC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,"InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3",DQDAYGNAKTZFIW,UHFFFAOYSA,N,Phenprocoumon,DQDAYGNAKTZFIW-UHFFFAOYSA-N
HMDB15082,606.316607085,C32H47F5O3S,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])C2[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC2=CC(O)=CC=C12,"InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29?,30+,41?/m1/s1",VWUXBMIQPBEWFH,LQKBAPIOSA,N,Fulvestrant,VWUXBMIQPBEWFH-LQKBAPIOSA-N
HMDB15083,539.114454181,C21H25N5O8S2,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1",YPBATNHYBCGSSN,VWPFQQQWSA,N,Mezlocillin,YPBATNHYBCGSSN-VWPFQQQWSA-N
HMDB15084,238.095356946,C11H14N2O4,NC(=O)OCC(COC(N)=O)C1=CC=CC=C1,"InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)",WKGXYQFOCVYPAC,UHFFFAOYSA,N,Felbamate,WKGXYQFOCVYPAC-UHFFFAOYSA-N
HMDB15086,137.058911861,C6H7N3O,NNC(=O)C1=CC=NC=C1,"InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)",QRXWMOHMRWLFEY,UHFFFAOYSA,N,Isoniazid,QRXWMOHMRWLFEY-UHFFFAOYSA-N
HMDB15087,335.166747749,C17H25N3O2S,CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1,"InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3",AMKVXSZCKVJAGH,UHFFFAOYSA,N,Naratriptan,AMKVXSZCKVJAGH-UHFFFAOYSA-N
HMDB15088,269.164045633,C15H19N5,CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2,"InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3",ULFRLSNUDGIQQP,UHFFFAOYSA,N,Rizatriptan,ULFRLSNUDGIQQP-UHFFFAOYSA-N
HMDB15089,834.545305214,C42H78N2O14,CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@@H]([C@@H]2C)[C@]1(C)O,"InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,39+,40-,41-,42-/m1/s1",WLOHNSSYAXHWNR,PBIGORBISA,N,Dirithromycin,WLOHNSSYAXHWNR-PBIGORBISA-N
HMDB15090,475.300598691,C21H41N5O7,CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](NC)[C@@]1(C)O,"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)15(28)17(13)33-20-21(2,29)18(25-3)14(27)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15+,16-,17+,18-,19-,20-,21-/m1/s1",ZBGPYVZLYBDXKO,HILBYHGXSA,N,Netilmicin,ZBGPYVZLYBDXKO-HILBYHGXSA-N
HMDB15091,299.152143543,C18H21NO3,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1",LLPOLZWFYMWNKH,CMKMFDCUSA,N,Hydrocodone,LLPOLZWFYMWNKH-CMKMFDCUSA-N
HMDB15092,369.230393863,C23H31NO3,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O,"InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1",KIQQMECNKUGGKA,NMYWJIRASA,N,Norgestimate,KIQQMECNKUGGKA-NMYWJIRASA-N
HMDB15093,371.044481331,C6H12N2O4Pt,N.N.O=C1O[Pt]OC(=O)C11CCC1,"InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2",OLESAACUTLOWQZ,UHFFFAOYSA,L,Carboplatin,OLESAACUTLOWQZ-UHFFFAOYSA-L
HMDB15094,374.20932407,C22H30O5,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",VHRSUDSXCMQTMA,PJHHCJLFSA,N,Methylprednisolone,VHRSUDSXCMQTMA-PJHHCJLFSA-N
HMDB15095,248.152477894,C14H20N2O2,CC(C)NCC(O)COC1=CC=CC2=C1C=CN2,"InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3",JZQKKSLKJUAGIC,UHFFFAOYSA,N,Pindolol,JZQKKSLKJUAGIC-UHFFFAOYSA-N
HMDB15096,246.173213336,C15H22N2O,CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)",INWLQCZOYSRPNW,UHFFFAOYSA,N,Mepivacaine,INWLQCZOYSRPNW-UHFFFAOYSA-N
HMDB15097,305.127660127,C17H15N5O,CCN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3",HUNXMJYCHXQEGX,UHFFFAOYSA,N,Zaleplon,HUNXMJYCHXQEGX-UHFFFAOYSA-N
HMDB15098,333.000055902,C15H12BrNO3,NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1,"InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)",ZBPLOVFIXSTCRZ,UHFFFAOYSA,N,Bromfenac,ZBPLOVFIXSTCRZ-UHFFFAOYSA-N
HMDB15099,244.028251754,C9H10Cl2N4,NC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1,"InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)",IEJXVRYNEISIKR,UHFFFAOYSA,N,Apraclonidine,IEJXVRYNEISIKR-UHFFFAOYSA-N
HMDB15101,514.236876224,C33H30N4O2,CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O,"InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)",RMMXLENWKUUMAY,UHFFFAOYSA,N,Telmisartan,RMMXLENWKUUMAY-UHFFFAOYSA-N
HMDB15102,310.123676325,C19H19ClN2,ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1,"InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2",JAUOIFJMECXRGI,UHFFFAOYSA,N,Desloratadine,JAUOIFJMECXRGI-UHFFFAOYSA-N
HMDB15104,294.148061218,C17H18N4O,CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)NC=N1)CC2,"InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)",JSWZEAMFRNKZNL,UHFFFAOYSA,N,Alosetron,JSWZEAMFRNKZNL-UHFFFAOYSA-N
HMDB15105,1254.628474764,C62H86N12O16,[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C,"InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1",RJURFGZVJUQBHK,IIXSONLDSA,N,Dactinomycin,RJURFGZVJUQBHK-IIXSONLDSA-N
HMDB15106,111.888592518,SSe,S=[Se],InChI=1S/SSe/c1-2,VIDTVPHHDGRGAF,UHFFFAOYSA,N,Selenium Sulfide,VIDTVPHHDGRGAF-UHFFFAOYSA-N
HMDB15107,381.160790112,C22H24ClN3O,CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O,"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3",MBUVEWMHONZEQD,UHFFFAOYSA,N,Azelastine,MBUVEWMHONZEQD-UHFFFAOYSA-N
HMDB15108,409.148949953,C24H21F2NO3,O[C@@H](CC[C@@H]1[C@H](N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1,"InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1",OLNTVTPDXPETLC,XPWALMASSA,N,Ezetimibe,OLNTVTPDXPETLC-XPWALMASSA-N
HMDB15109,292.090665498,C10H16N2O8,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)",KCXVZYZYPLLWCC,UHFFFAOYSA,N,Edetic Acid,KCXVZYZYPLLWCC-UHFFFAOYSA-N
HMDB15110,504.317251808,C24H40N8O4,OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1,"InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2",IZEKFCXSFNUWAM,UHFFFAOYSA,N,Dipyridamole,IZEKFCXSFNUWAM-UHFFFAOYSA-N
HMDB15111,811.473143325,C43H65N5O10,CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCN3C=NC(=C3)C3=CC=CN=C3)C(=O)O[C@@]12C)OC,"InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33+,36-,37-,38-,40+,42-,43+/m1/s1",LJVAJPDWBABPEJ,RMNISARHSA,N,Telithromycin,LJVAJPDWBABPEJ-RMNISARHSA-N
HMDB15113,351.139447899,C17H19F2N3O3,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12,"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)",ZEKZLJVOYLTDKK,UHFFFAOYSA,N,Lomefloxacin,ZEKZLJVOYLTDKK-UHFFFAOYSA-N
HMDB15114,291.183443671,C17H25NO3,CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1,"InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3",SKYSRIRYMSLOIN,UHFFFAOYSA,N,Cyclopentolate,SKYSRIRYMSLOIN-UHFFFAOYSA-N
HMDB15115,259.157228921,C16H21NO2,CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2,"InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1",YLXDSYKOBKBWJQ,LBPRGKRZSA,N,Ramelteon,YLXDSYKOBKBWJQ-LBPRGKRZSA-N
HMDB15116,275.163376931,C15H21N3O2,[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1",PIJVFDBKTWXHHD,HIFRSBDPSA,N,Physostigmine,PIJVFDBKTWXHHD-HIFRSBDPSA-N
HMDB15118,344.173607266,C19H24N2O4,COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)",BPZSYCZIITTYBL,UHFFFAOYSA,N,Formoterol,BPZSYCZIITTYBL-UHFFFAOYSA-N
HMDB15119,406.250794954,C27H34O3,[H][C@@]12CC[C@H](OC(=O)CCC3=CC=CC=C3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1",UBWXUGDQUBIEIZ,QNTYDACNSA,N,Nandrolone phenpropionate,UBWXUGDQUBIEIZ-QNTYDACNSA-N
HMDB15120,469.188067494,C24H28ClN5O3,CN1C2=C([N-]C(Cl)=N2)C(=O)N(C)C1=O.C[NH+](C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10,13)",DKHVTDUUNTVKOW,UHFFFAOYSA,N,Dimenhydrinate,DKHVTDUUNTVKOW-UHFFFAOYSA-N
HMDB15121,318.206918767,C19H28NO3,C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1,"InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1",ANGKOCUUWGHLCE,UHFFFAOYSA,N,Glycopyrrolate,ANGKOCUUWGHLCE-UHFFFAOYSA-N
HMDB15122,243.085520541,C9H13N3O5,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1",UHDGCWIWMRVCDJ,CCXZUQQUSA,N,Cytarabine,UHDGCWIWMRVCDJ-CCXZUQQUSA-N
HMDB15124,250.168127958,C14H22N2O2,CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C,"InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1",XSVMFMHYUFZWBK,NSHDSACASA,N,Rivastigmine,XSVMFMHYUFZWBK-NSHDSACASA-N
HMDB15125,296.177630012,C20H24O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C,"InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1",BFYIZQONLCFLEV,DAELLWKTSA,N,Exemestane,BFYIZQONLCFLEV-DAELLWKTSA-N
HMDB15126,293.105193351,C18H15NO3,OC(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)",OFPXSFXSNFPTHF,UHFFFAOYSA,N,Oxaprozin,OFPXSFXSNFPTHF-UHFFFAOYSA-N
HMDB15127,145.073893223,C6H11NO3,COC(=O)CCC(=O)CN,"InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3",YUUAYBAIHCDHHD,UHFFFAOYSA,N,Methyl aminolevulinate,YUUAYBAIHCDHHD-UHFFFAOYSA-N
HMDB15128,277.038193193,C9H7N7O2S,CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O,"InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)",LMEKQMALGUDUQG,UHFFFAOYSA,N,Azathioprine,LMEKQMALGUDUQG-UHFFFAOYSA-N
HMDB15129,614.312285588,C23H46N6O13,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",PGBHMTALBVVCIT,VCIWKGPPSA,N,Neomycin,PGBHMTALBVVCIT-VCIWKGPPSA-N
HMDB15130,678.132685,C20H34AuO9PS,CC[P+](CC)(CC)[Au-]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,"InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1",AUJRCFUBUPVWSZ,XTZHGVARSA,M,Auranofin,AUJRCFUBUPVWSZ-XTZHGVARSA-M
HMDB15132,543.174060775,C27H29NO11,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1",AOJJSUZBOXZQNB,TZSSRYMLSA,N,Doxorubicin,AOJJSUZBOXZQNB-TZSSRYMLSA-N
HMDB15133,243.137162181,C14H17N3O,CN[C@@H]1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(N)=O,"InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1",XPSQPHWEGNHMSK,SECBINFHSA,N,Frovatriptan,XPSQPHWEGNHMSK-SECBINFHSA-N
HMDB15135,341.140926929,C15H23N3O4S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1(N)CCCCC1)C(O)=O,"InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1",HGBLNBBNRORJKI,WCABBAIRSA,N,Cyclacillin,HGBLNBBNRORJKI-WCABBAIRSA-N
HMDB15137,288.220163528,C18H28N2O,CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1",LEBVLXFERQHONN,INIZCTEOSA,N,Levobupivacaine,LEBVLXFERQHONN-INIZCTEOSA-N
HMDB15138,468.069261354,C23H16O11,OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O)COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",IMZMKUWMOSJXDT,UHFFFAOYSA,N,Cromoglicic acid,IMZMKUWMOSJXDT-UHFFFAOYSA-N
HMDB15139,255.096753929,C9H13N5O4,NC1=NC2=C(N=CN2COC(CO)CO)C(=O)N1,"InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)",IRSCQMHQWWYFCW,UHFFFAOYSA,N,Ganciclovir,IRSCQMHQWWYFCW-UHFFFAOYSA-N
HMDB15140,76.027277382,CH4N2O2,NC(=O)NO,"InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)",VSNHCAURESNICA,UHFFFAOYSA,N,Hydroxyurea,VSNHCAURESNICA-UHFFFAOYSA-N
HMDB15141,285.101445377,C17H11N5,N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N,"InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H",HPJKCIUCZWXJDR,UHFFFAOYSA,N,Letrozole,HPJKCIUCZWXJDR-UHFFFAOYSA-N
HMDB15142,385.981416859,C16H13Cl3N2OS,ClC1=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=CS1,"InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2",QXHHHPZILQDDPS,UHFFFAOYSA,N,Tioconazole,QXHHHPZILQDDPS-UHFFFAOYSA-N
HMDB15143,246.02317956,C6H14O6S2,CS(=O)(=O)OCCCCOS(C)(=O)=O,"InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3",COVZYZSDYWQREU,UHFFFAOYSA,N,Busulfan,COVZYZSDYWQREU-UHFFFAOYSA-N
HMDB15144,254.094294314,C16H14O3,CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",DKYWVDODHFEZIM,UHFFFAOYSA,N,Ketoprofen,DKYWVDODHFEZIM-UHFFFAOYSA-N
HMDB15145,166.123189139,C10H16NO,CC[N+](C)(C)C1=CC(O)=CC=C1,"InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1",VWLHWLSRQJQWRG,UHFFFAOYSA,O,Edrophonium,VWLHWLSRQJQWRG-UHFFFAOYSA-O
HMDB15146,226.11061308,C14H14N2O,CC(C)(C(=O)C1=CN=CC=C1)C1=CN=CC=C1,"InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3",FJLBFSROUSIWMA,UHFFFAOYSA,N,Metyrapone,FJLBFSROUSIWMA-UHFFFAOYSA-N
HMDB15147,357.170434324,C22H22F3N,C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12,"InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1",VDHAWDNDOKGFTD,MRXNPFEDSA,N,Cinacalcet,VDHAWDNDOKGFTD-MRXNPFEDSA-N
HMDB15148,410.166015296,C22H28ClFO4,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",FCSHDIVRCWTZOX,DVTGEIKXSA,N,Clobetasol,FCSHDIVRCWTZOX-DVTGEIKXSA-N
HMDB15149,357.096085227,C17H15N3O6,OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O,"InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-19+",IPOKCKJONYRRHP,FMQUCBEESA,N,Balsalazide,IPOKCKJONYRRHP-FMQUCBEESA-N
HMDB15150,253.052111923,C10H11N3O3S,CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1,"InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",JLKIGFTWXXRPMT,UHFFFAOYSA,N,Sulfamethoxazole,JLKIGFTWXXRPMT-UHFFFAOYSA-N
HMDB15151,493.143819418,C23H28ClN3O5S,COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,"InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)",ZNNLBTZKUZBEKO,UHFFFAOYSA,N,Glyburide,ZNNLBTZKUZBEKO-UHFFFAOYSA-N
HMDB15152,457.184900233,C23H27N3O7,[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1",DYKFCLLONBREIL,KVUCHLLUSA,N,Minocycline,DYKFCLLONBREIL-KVUCHLLUSA-N
HMDB15153,245.012267339,C9H9Cl2N3O,NC(=N)NC(=O)CC1=C(Cl)C=CC=C1Cl,"InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)",INJOMKTZOLKMBF,UHFFFAOYSA,N,Guanfacine,INJOMKTZOLKMBF-UHFFFAOYSA-N
HMDB15154,161.129002798,C7H17N2O2,CC(C[N+](C)(C)C)OC(N)=O,"InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1",NZUPCNDJBJXXRF,UHFFFAOYSA,O,Bethanechol,NZUPCNDJBJXXRF-UHFFFAOYSA-O
HMDB15155,191.042987025,C6H9NO6,[H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O,"InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1",YWXYYJSYQOXTPL,SLPGGIOYSA,N,Isosorbide Mononitrate,YWXYYJSYQOXTPL-SLPGGIOYSA-N
HMDB15156,378.90218026,C8H8Cl3N3O4S2,NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl,"InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)",LMJSLTNSBFUCMU,UHFFFAOYSA,N,Trichlormethiazide,LMJSLTNSBFUCMU-UHFFFAOYSA-N
HMDB15157,450.349780716,C31H46O2,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",MBWXNTAXLNYFJB,NKFFZRIASA,N,Phytonadione,MBWXNTAXLNYFJB-NKFFZRIASA-N
HMDB15158,383.069113515,C18H19Cl2NO4,CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC,"InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3",RZTAMFZIAATZDJ,UHFFFAOYSA,N,Felodipine,RZTAMFZIAATZDJ-UHFFFAOYSA-N
HMDB15159,320.125988372,C17H20O6,COC1=C(C\C=C(/C)CCC(O)=O)C(O)=C2C(=O)OCC2=C1C,"InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+",HPNSFSBZBAHARI,RUDMXATFSA,N,Mycophenolic acid,HPNSFSBZBAHARI-RUDMXATFSA-N
HMDB15160,298.095356946,C16H14N2O4,CC(C)C1=CC2=C(OC3=NC(N)=C(C=C3C2=O)C(O)=O)C=C1,"InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)",SGRYPYWGNKJSDL,UHFFFAOYSA,N,Amlexanox,SGRYPYWGNKJSDL-UHFFFAOYSA-N
HMDB15162,163.960726574,C3H4Cl2F2O,COC(F)(F)C(Cl)Cl,"InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3",RFKMCNOHBTXSMU,UHFFFAOYSA,N,Methoxyflurane,RFKMCNOHBTXSMU-UHFFFAOYSA-N
HMDB15163,428.232459548,C25H28N6O,CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,"InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)",YOSHYTLCDANDAN,UHFFFAOYSA,N,Irbesartan,YOSHYTLCDANDAN-UHFFFAOYSA-N
HMDB15164,421.163770861,C23H23N3O5,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O,"InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1",UCFGDBYHRUNTLO,QHCPKHFHSA,N,Topotecan,UCFGDBYHRUNTLO-QHCPKHFHSA-N
HMDB15165,167.094628665,C9H13NO2,NC(=O)OC1(CCCCC1)C#C,"InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)",GXRZIMHKGDIBEW,UHFFFAOYSA,N,Ethinamate,GXRZIMHKGDIBEW-UHFFFAOYSA-N
HMDB15166,285.103478791,C13H19NO4S,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)",DBABZHXKTCFAPX,UHFFFAOYSA,N,Probenecid,DBABZHXKTCFAPX-UHFFFAOYSA-N
HMDB15167,152.015666838,C5H4N4S,S=C1N=CNC2=C1NC=N2,"InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",GLVAUDGFNGKCSF,UHFFFAOYSA,N,Mercaptopurine,GLVAUDGFNGKCSF-UHFFFAOYSA-N
HMDB15168,223.120843415,C12H17NO3,CC=CCC=CCCC(=O)[C@H]1O[C@H]1C(N)=O,"InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/t10-,11-/m1/s1",GVEZIHKRYBHEFX,GHMZBOCLSA,N,Cerulenin,GVEZIHKRYBHEFX-GHMZBOCLSA-N
HMDB15169,235.168462309,C13H21N3O,CCN(CC)CCNC(=O)C1=CC=C(N)C=C1,"InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)",REQCZEXYDRLIBE,UHFFFAOYSA,N,Procainamide,REQCZEXYDRLIBE-UHFFFAOYSA-N
HMDB15170,325.240564619,C22H31NO,CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C,"InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1",OOGJQPCLVADCPB,HXUWFJFHSA,N,Tolterodine,OOGJQPCLVADCPB-HXUWFJFHSA-N
HMDB15171,187.136099549,C13H17N,CC(CC1=CC=CC=C1)N(C)CC#C,"InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3",MEZLKOACVSPNER,UHFFFAOYSA,N,Selegiline,MEZLKOACVSPNER-UHFFFAOYSA-N
HMDB15172,411.198047877,C23H29N3O2S,CCC(=O)C1=CC2=C(SC3=C(C=CC=C3)N2CCN2CCN(CCO)CC2)C=C1,"InChI=1S/C23H29N3O2S/c1-2-21(28)18-7-8-23-20(17-18)26(19-5-3-4-6-22(19)29-23)14-13-24-9-11-25(12-10-24)15-16-27/h3-8,17,27H,2,9-16H2,1H3",DYCNETKPCXPXNW,UHFFFAOYSA,N,Carphenazine,DYCNETKPCXPXNW-UHFFFAOYSA-N
HMDB15173,360.112836867,C20H21ClO4,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3",YMTINGFKWWXKFG,UHFFFAOYSA,N,Fenofibrate,YMTINGFKWWXKFG-UHFFFAOYSA-N
HMDB15174,532.129769894,C20H28N4O9S2,OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(N)=C1C=CC(=C\C=C2\C=CC(=CC2=O)C(N)=N)C=C1,"InChI=1S/C16H16N4O.2C2H6O4S/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21;2*3-1-2-7(4,5)6/h1-9H,17-18H2,(H3,19,20);2*3H,1-2H2,(H,4,5,6)/b11-4-;;",VIDDZUWWPMDEHU,LTTFOTGMSA,N,Hydroxystilbamidine Isethionate,VIDDZUWWPMDEHU-LTTFOTGMSA-N
HMDB15175,258.064056818,C13H10N2O4,O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12,"InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)",UEJJHQNACJXSKW,UHFFFAOYSA,N,Thalidomide,UEJJHQNACJXSKW-UHFFFAOYSA-N
HMDB15176,304.074533244,C13H18Cl2N2O2,N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O,"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1",SGDBTWWWUNNDEQ,LBPRGKRZSA,N,Melphalan,SGDBTWWWUNNDEQ-LBPRGKRZSA-N
HMDB15177,179.167399677,C12H21N,CC12CC3CC(C)(C1)CC(N)(C3)C2,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3",BUGYDGFZZOZRHP,UHFFFAOYSA,N,Memantine,BUGYDGFZZOZRHP-UHFFFAOYSA-N
HMDB15178,375.159434412,C19H22FN3O4,COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1,"InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)",XUBOMFCQGDBHNK,UHFFFAOYSA,N,Gatifloxacin,XUBOMFCQGDBHNK-UHFFFAOYSA-N
HMDB15179,822.40512334,C43H58N4O12,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C(O)=C3C,"InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1",JQXXHWHPUNPDRT,WLSIYKJHSA,N,Rifampin,JQXXHWHPUNPDRT-WLSIYKJHSA-N
HMDB15180,390.221780544,C20H32F2O5,[H][C@@]12CC(=O)[C@@H](CCCCCCC(O)=O)[C@@]1([H])CC[C@@](O)(O2)C(F)(F)CCCC,"InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15+,17+,20+/m0/s1",WGFOBBZOWHGYQH,DKYLXPRQSA,N,Lubiprostone,WGFOBBZOWHGYQH-DKYLXPRQSA-N
HMDB15181,494.211609788,C26H32F2O7,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O,"InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1",WJOHZNCJWYWUJD,IUGZLZTKSA,N,Fluocinonide,WJOHZNCJWYWUJD-IUGZLZTKSA-N
HMDB15182,286.154209228,C14H18N6O,NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1,"InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1",MCGSCOLBFJQGHM,SCZZXKLOSA,N,Abacavir,MCGSCOLBFJQGHM-SCZZXKLOSA-N
HMDB15183,631.267584003,C30H41N5O8S,CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,"InChI=1S/C29H37N5O5.CH4O3S/c1-15(2)28(27(37)34-16(3)26(36)33-10-6-9-23(33)29(34,38)39-28)31-25(35)18-11-20-19-7-5-8-21-24(19)17(13-30-21)12-22(20)32(4)14-18;1-5(2,3)4/h5,7-8,13,15-16,18,20,22-23,30,38H,6,9-12,14H2,1-4H3,(H,31,35);1H3,(H,2,3,4)/t16-,18+,20+,22+,23-,28+,29-;/m0./s1",FQHMMOGHDWAXDI,WUQHHHCFSA,N,Ergoloid mesylate,FQHMMOGHDWAXDI-WUQHHHCFSA-N
HMDB15185,612.231910004,C31H36N2O11,CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=CC=C(O)C(CC=C(C)C)=C2)C(=O)O3)OC1(C)C,"InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1",YJQPYGGHQPGBLI,KGSXXDOSSA,N,Novobiocin,YJQPYGGHQPGBLI-KGSXXDOSSA-N
HMDB15186,334.098727764,C16H18N2O4S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",JGSARLDLIJGVTE,MBNYWOFBSA,N,Penicillin G,JGSARLDLIJGVTE-MBNYWOFBSA-N
HMDB15187,360.132136382,C18H20N2O6,CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC,"InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3",PVHUJELLJLJGLN,UHFFFAOYSA,N,Nitrendipine,PVHUJELLJLJGLN-UHFFFAOYSA-N
HMDB15188,198.064056818,C8H10N2O4,N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O,"InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1",WZNJWVWKTVETCG,YFKPBYRVSA,N,Mimosine,WZNJWVWKTVETCG-YFKPBYRVSA-N
HMDB15189,192.126263144,C11H16N2O,CC(N)C(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)",BUJAGSGYPOAWEI,UHFFFAOYSA,N,Tocainide,BUJAGSGYPOAWEI-UHFFFAOYSA-N
HMDB15190,256.113625809,C9H23NO3PS,CCOP(=O)(OCC)SCC[N+](C)(C)C,"InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1",BJOLKYGKSZKIGU,UHFFFAOYSA,N,Echothiophate,BJOLKYGKSZKIGU-UHFFFAOYSA-N
HMDB15191,312.183778022,C19H24N2O2,O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1,"InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2",FSVJFNAIGNNGKK,UHFFFAOYSA,N,Praziquantel,FSVJFNAIGNNGKK-UHFFFAOYSA-N
HMDB15192,319.133219662,C16H18FN3O3,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)",OGJPXUAPXNRGGI,UHFFFAOYSA,N,Norfloxacin,OGJPXUAPXNRGGI-UHFFFAOYSA-N
HMDB15193,365.104541423,C16H19N3O5S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1",LSQZJLSUYDQPKJ,NJBDSQKTSA,N,Amoxicillin,LSQZJLSUYDQPKJ-NJBDSQKTSA-N
HMDB15194,461.136904183,C20H23N5O6S,[H][C@](NC(=O)N1CCNC1=O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])C1=CC=CC=C1,"InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13+,16-/m1/s1",JTWOMNBEOCYFNV,NFFDBFGFSA,N,Azlocillin,JTWOMNBEOCYFNV-NFFDBFGFSA-N
HMDB15195,357.230393863,C22H31NO3,CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3",XIQVNETUBQGFHX,UHFFFAOYSA,N,Oxybutynin,XIQVNETUBQGFHX-UHFFFAOYSA-N
HMDB15196,411.198047877,C23H29N3O2S,CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1,"InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3",WNTYBHLDCKXEOT,UHFFFAOYSA,N,Acetophenazine,WNTYBHLDCKXEOT-UHFFFAOYSA-N
HMDB15197,211.120843415,C11H17NO3,CC(C)NCC(O)C1=CC(O)=C(O)C=C1,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3",JWZZKOKVBUJMES,UHFFFAOYSA,N,Isoproterenol,JWZZKOKVBUJMES-UHFFFAOYSA-N
HMDB15199,506.050079786,C19H18N6O5S3,[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1",KMIPKYQIOVAHOP,YLGJWRNMSA,N,Cefditoren,KMIPKYQIOVAHOP-YLGJWRNMSA-N
HMDB15200,445.178375067,C21H27N5O4S,CC1=CN=C(C=N1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,"InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)",ZJJXGWJIGJFDTL,UHFFFAOYSA,N,Glipizide,ZJJXGWJIGJFDTL-UHFFFAOYSA-N
HMDB15201,315.041068908,C15H10ClN3O3,[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)",DGBIGWXXNGSACT,UHFFFAOYSA,N,Clonazepam,DGBIGWXXNGSACT-UHFFFAOYSA-N
HMDB15202,284.13471934,C17H20N2S,CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3",PWWVAXIEGOYWEE,UHFFFAOYSA,N,Promethazine,PWWVAXIEGOYWEE-UHFFFAOYSA-N
HMDB15203,398.354866094,C28H46O,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C,"InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1",ILYCWAKSDCYMBB,OPCMSESCSA,N,Dihydrotachysterol,ILYCWAKSDCYMBB-OPCMSESCSA-N
HMDB15204,322.150369404,C20H22N2S,C(C1CN2CCC1CC2)N1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2",HOKDBMAJZXIPGC,UHFFFAOYSA,N,Mequitazine,HOKDBMAJZXIPGC-UHFFFAOYSA-N
HMDB15205,704.389748048,C38H52N6O7,COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC1=CC=C(C=C1)C1=CC=CC=N1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C,"InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1",AXRYRYVKAWYZBR,GASGPIRDSA,N,Atazanavir,AXRYRYVKAWYZBR-GASGPIRDSA-N
HMDB15206,365.053662512,C10H13FN5O7P,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]3O)C2=NC(F)=N1,"InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1",GIUYCYHIANZCFB,FJFJXFQQSA,N,Fludarabine,GIUYCYHIANZCFB-FJFJXFQQSA-N
HMDB15207,277.276950125,C19H35N,C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1,"InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2",CYXKNKQEMFBLER,UHFFFAOYSA,N,Perhexiline,CYXKNKQEMFBLER-UHFFFAOYSA-N
HMDB15210,205.974526594,C2H8O7P2,CC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)",DBVJJBKOTRCVKF,UHFFFAOYSA,N,Etidronic acid,DBVJJBKOTRCVKF-UHFFFAOYSA-N
HMDB15211,942.482430186,C47H74O19,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1,"InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1",OBATZBGFDSVCJD,LALPQLPRSA,N,Deslanoside,OBATZBGFDSVCJD-LALPQLPRSA-N
HMDB15212,129.078978601,C6H11NO2,NC(CCC(O)=O)C=C,"InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)",PJDFLNIOAUIZSL,UHFFFAOYSA,N,Vigabatrin,PJDFLNIOAUIZSL-UHFFFAOYSA-N
HMDB15213,452.246378278,C30H32N2O2,CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3",HYPPXZBJBPSRLK,UHFFFAOYSA,N,Diphenoxylate,HYPPXZBJBPSRLK-UHFFFAOYSA-N
HMDB15214,581.265669747,C21H39N7O12,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O,"InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",UCSJYZPVAKXKNQ,HZYVHMACSA,N,Streptomycin,UCSJYZPVAKXKNQ-HZYVHMACSA-N
HMDB15215,495.392373811,C29H53NO5,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,"InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1",AHLBNYSZXLDEJQ,FWEHEUNISA,N,Orlistat,AHLBNYSZXLDEJQ-FWEHEUNISA-N
HMDB15216,302.210661474,C17H26N4O,CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1,"InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3",KBUZBQVCBVDWKX,UHFFFAOYSA,N,Emedastine,KBUZBQVCBVDWKX-UHFFFAOYSA-N
HMDB15217,208.121177766,C11H16N2O2,CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",QCHFTSOMWOSFHM,WPRPVWTQSA,N,Pilocarpine,QCHFTSOMWOSFHM-WPRPVWTQSA-N
HMDB15219,259.168462309,C15H21N3O,COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1,"InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3",INDBQLZJXZLFIT,UHFFFAOYSA,N,Primaquine,INDBQLZJXZLFIT-UHFFFAOYSA-N
HMDB15220,478.271924326,C30H38O5,CC#CCC(C)C(O)\C=C\C1C(O)CC2C\C(CC12)=C\CCCC(=O)OCC(=O)C1=CC=CC=C1,"InChI=1S/C30H38O5/c1-3-4-10-21(2)27(31)16-15-25-26-18-22(17-24(26)19-28(25)32)11-8-9-14-30(34)35-20-29(33)23-12-6-5-7-13-23/h5-7,11-13,15-16,21,24-28,31-32H,8-10,14,17-20H2,1-2H3/b16-15+,22-11-",CZUMMMDKQYRZDP,JCAXBLPDSA,N,Iloprost,CZUMMMDKQYRZDP-JCAXBLPDSA-N
HMDB15221,578.262816202,C32H38N2O8,[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2,"InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1",CVBMAZKKCSYWQR,WCGOZPBSSA,N,Deserpidine,CVBMAZKKCSYWQR-WCGOZPBSSA-N
HMDB15222,240.256549034,C15H32N2,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,"InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2",XSBSKEQEUFOSDD,UHFFFAOYSA,N,Pentolinium,XSBSKEQEUFOSDD-UHFFFAOYSA-N
HMDB15223,317.214349869,C23H27N,CN(CC1=CC=C(C=C1)C(C)(C)C)CC1=CC=CC2=CC=CC=C12,"InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3",ABJKWBDEJIDSJZ,UHFFFAOYSA,N,Butenafine,ABJKWBDEJIDSJZ-UHFFFAOYSA-N
HMDB15224,584.283276872,C29H44O12,[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",LPMXVESGRSUGHW,HBYQJFLCSA,N,Ouabain,LPMXVESGRSUGHW-HBYQJFLCSA-N
HMDB15227,411.18458653,C24H26FNO4,CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C2=CC=CC=C12,"InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m0/s1",FJLGEFLZQAZZCD,JUFISIKESA,N,Fluvastatin,FJLGEFLZQAZZCD-JUFISIKESA-N
HMDB15228,279.158291553,C14H21N3O3,CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O,"InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3",XCGYUJZMCCFSRP,UHFFFAOYSA,N,Oxamniquine,XCGYUJZMCCFSRP-UHFFFAOYSA-N
HMDB15229,270.061612157,C12H9F3N2O2,CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)",VHOGYURTWQBHIL,UHFFFAOYSA,N,Leflunomide,VHOGYURTWQBHIL-UHFFFAOYSA-N
HMDB15230,481.168284538,C22H28FN3O6S,CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O,"InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1",BPRHUIZQVSMCRT,VEUZHWNKSA,N,Rosuvastatin,BPRHUIZQVSMCRT-VEUZHWNKSA-N
HMDB15231,129.03383997,C4H4FN3O,NC1=C(F)C=NC(=O)N1,"InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)",XRECTZIEBJDKEO,UHFFFAOYSA,N,Flucytosine,XRECTZIEBJDKEO-UHFFFAOYSA-N
HMDB15232,461.227868975,C28H29F2N3O,FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1,"InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)",YVUQSNJEYSNKRX,UHFFFAOYSA,N,Pimozide,YVUQSNJEYSNKRX-UHFFFAOYSA-N
HMDB15233,359.149263656,C15H22FN3O6,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O,"InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1",GAGWJHPBXLXJQN,UORFTKCHSA,N,Capecitabine,GAGWJHPBXLXJQN-UORFTKCHSA-N
HMDB15234,317.162708229,C18H23NO4,O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C18H23NO4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14/h4-9,11,18-23H,1-3,10,12H2/t18-/m0/s1",IIRWWTKISYTTBL,SFHVURJKSA,N,Arbutamine,IIRWWTKISYTTBL-SFHVURJKSA-N
HMDB15235,399.207740304,C23H30ClN3O,CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2,"InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)",GPKJTRJOBQGKQK,UHFFFAOYSA,N,Quinacrine,GPKJTRJOBQGKQK-UHFFFAOYSA-N
HMDB15237,279.175377544,C17H26ClN,CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1,"InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3",UNAANXDKBXWMLN,UHFFFAOYSA,N,Sibutramine,UNAANXDKBXWMLN-UHFFFAOYSA-N
HMDB15238,420.221306387,C26H29FN2O2,C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)C1CCC(CC1)(C#N)C1=CC=C(F)C=C1,"InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23?,25?,26-/m1/s1",ZCGOMHNNNFPNMX,YHYDXASRSA,N,Levocabastine,ZCGOMHNNNFPNMX-YHYDXASRSA-N
HMDB15239,183.125928793,C10H17NO2,CCC1(CC)C(=O)NCC(C)C1=O,"InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)",SIDLZWOQUZRBRU,UHFFFAOYSA,N,Methyprylon,SIDLZWOQUZRBRU-UHFFFAOYSA-N
HMDB15240,329.199093735,C20H27NO3,[H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C#N)=C2O,"InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1",KVJXBPDAXMEYOA,CXANFOAXSA,N,Trilostane,KVJXBPDAXMEYOA-CXANFOAXSA-N
HMDB15242,413.986023908,C18H14Cl4N2O,ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2",BYBLEWFAAKGYCD,UHFFFAOYSA,N,Miconazole,BYBLEWFAAKGYCD-UHFFFAOYSA-N
HMDB15243,1633.588775306,C58H105N16O28S5,CCC(C)CCCCC(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC(C(C)O)C(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS([O-])(=O)=O)NC1=O)C(C)O,"InChI=1S/C58H110N16O28S5/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)/p-5",BSSIRFLGSWHWDE,UHFFFAOYSA,I,Colistimethate,BSSIRFLGSWHWDE-UHFFFAOYSA-I
HMDB15244,424.068884198,C16H16N4O8S,[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O,"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1",JFPVXVDWJQMJEE,IZRZKJBUSA,N,Cefuroxime,JFPVXVDWJQMJEE-IZRZKJBUSA-N
HMDB15245,339.147058165,C20H21NO4,COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",XQYZDYMELSJDRZ,UHFFFAOYSA,N,Papaverine,XQYZDYMELSJDRZ-UHFFFAOYSA-N
HMDB15247,346.116486318,C17H18N2O6,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC,"InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3",HYIMSNHJOBLJNT,UHFFFAOYSA,N,Nifedipine,HYIMSNHJOBLJNT-UHFFFAOYSA-N
HMDB15248,365.168759122,C22H25N2OS,O=C1N(CC2=CC=CC=C2)C2C[S+]3CCCC3C2N1CC1=CC=CC=C1,"InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1",CHQOEHPMXSHGCL,UHFFFAOYSA,N,Trimethaphan,CHQOEHPMXSHGCL-UHFFFAOYSA-N
HMDB15249,366.102272181,C22H19ClO3,OC1=C([C@H]2CC[C@@H](CC2)C2=CC=C(Cl)C=C2)C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-",KUCQYCKVKVOKAY,CTYIDZIISA,N,Atovaquone,KUCQYCKVKVOKAY-CTYIDZIISA-N
HMDB15250,645.023680639,C25H29I2NO3,CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=CC=CC=C2O1,"InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3",IYIKLHRQXLHMJQ,UHFFFAOYSA,N,Amiodarone,IYIKLHRQXLHMJQ-UHFFFAOYSA-N
HMDB15251,229.991675875,C8H7ClN2O2S,CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2,"InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)",GDLBFKVLRPITMI,UHFFFAOYSA,N,Diazoxide,GDLBFKVLRPITMI-UHFFFAOYSA-N
HMDB15252,323.130362243,C15H21N3O3S,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1,"InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)",BOVGTQGAOIONJV,UHFFFAOYSA,N,Gliclazide,BOVGTQGAOIONJV-UHFFFAOYSA-N
HMDB15253,178.074227574,C9H10N2O2,NC(=O)NC(=O)CC1=CC=CC=C1,"InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)",XPFRXWCVYUEORT,UHFFFAOYSA,N,Phenacemide,XPFRXWCVYUEORT-UHFFFAOYSA-N
HMDB15254,536.268482022,C28H42Cl2N4O2,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC1=CC=CC=C1Cl,"InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2",OMHBPUNFVFNHJK,UHFFFAOYSA,P,Ambenonium,OMHBPUNFVFNHJK-UHFFFAOYSA-P
HMDB15255,209.095297367,C13H11N3,NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR,UHFFFAOYSA,N,Proflavine,WDVSHHCDHLJJJR-UHFFFAOYSA-N
HMDB15256,270.103813142,C12H18N2O3S,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1,"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",JLRGJRBPOGGCBT,UHFFFAOYSA,N,Tolbutamide,JLRGJRBPOGGCBT-UHFFFAOYSA-N
HMDB15257,252.07864425,C16H12O3,COC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3",XRCFXMGQEVUZFC,UHFFFAOYSA,N,Anisindione,XRCFXMGQEVUZFC-UHFFFAOYSA-N
HMDB15258,528.221147444,C27H30F6N2O2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F,"InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1",JWJOTENAMICLJG,QWBYCMEYSA,N,Dutasteride,JWJOTENAMICLJG-QWBYCMEYSA-N
HMDB15259,380.024996233,C18H15Cl3N2O,ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2",LEZWWPYKPKIXLL,UHFFFAOYSA,N,Econazole,LEZWWPYKPKIXLL-UHFFFAOYSA-N
HMDB15260,430.061040456,C18H14F4N2O4S,CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F,"InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)",LKJPYSCBVHEWIU,UHFFFAOYSA,N,Bicalutamide,LKJPYSCBVHEWIU-UHFFFAOYSA-N
HMDB15262,488.241018128,C27H36O8,CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)COC(=O)CC,"InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3",FNPXMHRZILFCKX,UHFFFAOYSA,N,Prednicarbate,FNPXMHRZILFCKX-UHFFFAOYSA-N
HMDB15263,253.109423244,C11H16ClN5,CC(C)\N=C(/N)N=C(N)NC1=CC=C(Cl)C=C1,"InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)",SSOLNOMRVKKSON,UHFFFAOYSA,N,Proguanil,SSOLNOMRVKKSON-UHFFFAOYSA-N
HMDB15264,356.119463206,C19H20N2O3S,CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1,"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)",HYAFETHFCAUJAY,UHFFFAOYSA,N,Pioglitazone,HYAFETHFCAUJAY-UHFFFAOYSA-N
HMDB15265,317.928359441,C7H9ClO6P2S,OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O,"InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)",DKJJVAGXPKPDRL,UHFFFAOYSA,N,Tiludronate,DKJJVAGXPKPDRL-UHFFFAOYSA-N
HMDB15266,1034.535134458,C56H78N2O16,COC1=CC(CC2C3=C(CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC4=C(C2CC2=CC(OC)=C(OC)C(OC)=C2)C(OC)=C(OC)C(OC)=C4)C=C(OC)C(OC)=C3OC)=CC(OC)=C1OC,"InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2",GBLRQXKSCRCLBZ,UHFFFAOYSA,N,Doxacurium chloride,GBLRQXKSCRCLBZ-UHFFFAOYSA-N
HMDB15267,406.18925733,C24H26N2O4,COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2,"InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3",OGHNVEJMJSYVRP,UHFFFAOYSA,N,Carvedilol,OGHNVEJMJSYVRP-UHFFFAOYSA-N
HMDB15269,404.119463206,C23H20N2O3S,O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2",MBGGBVCUIVRRBF,UHFFFAOYSA,N,Sulfinpyrazone,MBGGBVCUIVRRBF-UHFFFAOYSA-N
HMDB15270,423.055876671,C17H17N3O6S2,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSC1=CC=NC=C1)C(O)=O,"InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1",UQLLWWBDSUHNEB,CZUORRHYSA,N,Cephapirin,UQLLWWBDSUHNEB-CZUORRHYSA-N
HMDB15271,363.088891359,C16H17N3O5S,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1",BOEGTKLJZSQCCD,UEKVPHQBSA,N,Cefadroxil,BOEGTKLJZSQCCD-UEKVPHQBSA-N
HMDB15272,1269.438350313,C56H71N9O23S,CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O,"InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1",PIEUQSKUWLMALL,YABMTYFHSA,N,Micafungin,PIEUQSKUWLMALL-YABMTYFHSA-N
HMDB15273,279.162314299,C19H21NO,[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12,"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3",ODQWQRRAPPTVAG,UHFFFAOYSA,N,Doxepin,ODQWQRRAPPTVAG-UHFFFAOYSA-N
HMDB15274,214.054099558,C5H15N2O3PS,NCCCNCCSP(O)(O)=O,"InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)",JKOQGQFVAUAYPM,UHFFFAOYSA,N,Amifostine,JKOQGQFVAUAYPM-UHFFFAOYSA-N
HMDB15275,303.914603484,C6H6Cl2N2O4S2,NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O,"InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)",GJQPMPFPNINLKP,UHFFFAOYSA,N,Dichlorphenamide,GJQPMPFPNINLKP-UHFFFAOYSA-N
HMDB15276,404.017048324,C14H16N2O6S3,OS(=O)CNC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCS(O)=O)C=C1,"InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20)",NEDPPCHNEOMTJV,UHFFFAOYSA,N,Sulfoxone,NEDPPCHNEOMTJV-UHFFFAOYSA-N
HMDB15277,281.177964363,C19H23NO,CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3",OWQUZNMMYNAXSL,UHFFFAOYSA,N,Diphenylpyraline,OWQUZNMMYNAXSL-UHFFFAOYSA-N
HMDB15278,435.065569098,C19H18ClN3O5S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1Cl)C(O)=O,"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1",LQOLIRLGBULYKD,JKIFEVAISA,N,Cloxacillin,LQOLIRLGBULYKD-JKIFEVAISA-N
HMDB15279,391.178358293,C24H25NO4,CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1,"InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3",SPIUTQOUKAMGCX,UHFFFAOYSA,N,Flavoxate,SPIUTQOUKAMGCX-UHFFFAOYSA-N
HMDB15280,469.224453,C25H32ClN5O2,CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1,"InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3",VRBKIVRKKCLPHA,UHFFFAOYSA,N,Nefazodone,VRBKIVRKKCLPHA-UHFFFAOYSA-N
HMDB15281,389.104541423,C18H19N3O5S,[H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1",WDLWHQDACQUCJR,PBFPGSCMSA,N,Cefprozil,WDLWHQDACQUCJR-PBFPGSCMSA-N
HMDB15282,266.178298714,C18H22N2,CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3",HCYAFALTSJYZDH,UHFFFAOYSA,N,Desipramine,HCYAFALTSJYZDH-UHFFFAOYSA-N
HMDB15283,1108.571913894,C59H84N2O18,CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC2(O)CC(O)C(C(CC(OC3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C/C=C\C=C/C=C\C=C/C=C\C=C/C1C)O2)C(O)=O)C(O)CC(=O)C1=CC=C(N)C=C1,"InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-46(77-58-55(72)53(61)54(71)38(4)76-58)31-50-52(57(73)74)49(69)34-59(75,79-50)33-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)30-51(70)78-56(35)37(3)26-36(2)47(67)32-48(68)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-47,49-50,52-56,58,64-67,69,71-72,75H,17,19-20,26-34,60-61H2,1-4H3,(H,73,74)/b6-5-,9-7-,10-8-,13-11-,14-12-,18-15-,21-16-/t35?,36?,37?,38-,43?,44?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,58?,59?/m1/s1",YKSVGLFNJPQDJE,WDANKXQLSA,N,Candicidin,YKSVGLFNJPQDJE-WDANKXQLSA-N
HMDB15284,435.997066923,C20H15Cl3N2OS,ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CSC2=C1C=CC=C2Cl,"InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2",JLGKQTAYUIMGRK,UHFFFAOYSA,N,Sertaconazole,JLGKQTAYUIMGRK-UHFFFAOYSA-N
HMDB15285,254.10889852,C12H18N2O2S,CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O,"InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",XLOMZPUITCYLMJ,UHFFFAOYSA,N,Thiamylal,XLOMZPUITCYLMJ-UHFFFAOYSA-N
HMDB15286,389.149932358,C18H20FN5O4,CO\N=C1/CN(CC1CN)C1=NC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O,"InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+",ZRCVYEYHRGVLOC,HYARGMPZSA,N,Gemifloxacin,ZRCVYEYHRGVLOC-HYARGMPZSA-N
HMDB15288,369.180089627,C19H23N5O3,COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC,"InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)",NOYPYLRCIDNJJB,UHFFFAOYSA,N,Trimetrexate,NOYPYLRCIDNJJB-UHFFFAOYSA-N
HMDB15289,242.054437196,C11H17BrN,CC[N+](C)(C)CC1=CC=CC=C1Br,"InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1",AAQOQKQBGPPFNS,UHFFFAOYSA,N,Bretylium,AAQOQKQBGPPFNS-UHFFFAOYSA-N
HMDB15290,195.890225001,C2HBrClF3,FC(F)(F)C(Cl)Br,"InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H",BCQZXOMGPXTTIC,UHFFFAOYSA,N,Halothane,BCQZXOMGPXTTIC-UHFFFAOYSA-N
HMDB15291,475.314517421,C24H45NO8,OCC(N)(CO)CO.CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1",IYGXEHDCSOYNKY,RZHHZEQLSA,N,Dinoprost Tromethamine,IYGXEHDCSOYNKY-RZHHZEQLSA-N
HMDB15292,270.113505569,C13H19ClN2O2,CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1,"InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3",VDANGULDQQJODZ,UHFFFAOYSA,N,Chloroprocaine,VDANGULDQQJODZ-UHFFFAOYSA-N
HMDB15293,387.190654313,C19H25N5O4,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1,"InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)",VCKUSRYTPJJLNI,UHFFFAOYSA,N,Terazosin,VCKUSRYTPJJLNI-UHFFFAOYSA-N
HMDB15294,325.146012307,C15H23N3O3S,[H]C(=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])N1CCCCCC1,"InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1",BWWVAEOLVKTZFQ,NTZNESFSSA,N,Amdinocillin,BWWVAEOLVKTZFQ-NTZNESFSSA-N
HMDB15296,361.143784348,C18H20FN3O4,CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)",GSDSWSVVBLHKDQ,UHFFFAOYSA,N,Ofloxacin,GSDSWSVVBLHKDQ-UHFFFAOYSA-N
HMDB15297,369.216475133,C20H27N5O2,O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2,"InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)",RRGUKTPIGVIEKM,UHFFFAOYSA,N,Cilostazol,RRGUKTPIGVIEKM-UHFFFAOYSA-N
HMDB15298,704.239307158,C35H38Cl2N8O4,CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1",VHVPQPYKVGDNFY,ZPGVKDDISA,N,Itraconazole,VHVPQPYKVGDNFY-ZPGVKDDISA-N
HMDB15299,221.152812245,C12H19N3O,CNNCC1=CC=C(C=C1)C(=O)NC(C)C,"InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)",CPTBDICYNRMXFX,UHFFFAOYSA,N,Procarbazine,CPTBDICYNRMXFX-UHFFFAOYSA-N
HMDB15300,197.8279367,As2O3,O1[As]2O[As]1O2,InChI=1S/As2O3/c3-1-4-2(3)5-1,GOLCXWYRSKYTSP,UHFFFAOYSA,N,Arsenic trioxide,GOLCXWYRSKYTSP-UHFFFAOYSA-N
HMDB15301,198.184446724,C10H22N4,NC(N)=NCCN1CCCCCCC1,"InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)",ACGDKVXYNVEAGU,UHFFFAOYSA,N,Guanethidine,ACGDKVXYNVEAGU-UHFFFAOYSA-N
HMDB15302,268.097855505,C13H17ClN2O2,ClC1=CC=C(C=C1)C(=O)NCCN1CCOCC1,"InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)",YHXISWVBGDMDLQ,UHFFFAOYSA,N,Moclobemide,YHXISWVBGDMDLQ-UHFFFAOYSA-N
HMDB15303,484.238058014,C18H36N4O11,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1",SBUJHOSQTJFQJX,NOAMYHISSA,N,Kanamycin,SBUJHOSQTJFQJX-NOAMYHISSA-N
HMDB15304,269.177964363,C18H23NO,CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3",QVYRGXJJSLMXQH,UHFFFAOYSA,N,Orphenadrine,QVYRGXJJSLMXQH-UHFFFAOYSA-N
HMDB15305,232.08479226,C12H12N2O3,CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",DDBREPKUVSBGFI,UHFFFAOYSA,N,Phenobarbital,DDBREPKUVSBGFI-UHFFFAOYSA-N
HMDB15307,266.178298714,C18H22N2,CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3",UVKZSORBKUEBAZ,UHFFFAOYSA,N,Cyclizine,UVKZSORBKUEBAZ-UHFFFAOYSA-N
HMDB15308,497.168581467,C26H27NO9,C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O,"InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1",XDXDZDZNSLXDNA,TZNDIEGXSA,N,Idarubicin,XDXDZDZNSLXDNA-TZNDIEGXSA-N
HMDB15309,273.022641652,C11H12ClNO3S,CN1C(C2=CC=C(Cl)C=C2)S(=O)(=O)CCC1=O,"InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3",WEQAYVWKMWHEJO,UHFFFAOYSA,N,Chlormezanone,WEQAYVWKMWHEJO-UHFFFAOYSA-N
HMDB15310,414.13146768,C22H22O8,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@H]2O,"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1",YJGVMLPVUAXIQN,XVVDYKMHSA,N,Podofilox,YJGVMLPVUAXIQN-XVVDYKMHSA-N
HMDB15311,634.289030952,C35H42N2O9,[H][C@]12C[C@@H](OC(=O)C=CC3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2,"InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/t20-,24+,26-,29-,31+,34+/m1/s1",SZLZWPPUNLXJEA,LAFLMMDJSA,N,Rescinnamine,SZLZWPPUNLXJEA-LAFLMMDJSA-N
HMDB15312,260.02481966,C7H15Cl2N2O2P,ClCCNP1(=O)OCCCN1CCCl,"InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)",HOMGKSMUEGBAAB,UHFFFAOYSA,N,Ifosfamide,HOMGKSMUEGBAAB-UHFFFAOYSA-N
HMDB15313,341.199093735,C21H27NO3,CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1,"InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3",JWHAUXFOSRPERK,UHFFFAOYSA,N,Propafenone,JWHAUXFOSRPERK-UHFFFAOYSA-N
HMDB15314,327.147058165,C19H21NO4,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC=C)[C@]([H])(C4)[C@]1(O)CCC2=O,"InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1",UZHSEJADLWPNLE,GRGSLBFTSA,N,Naloxone,UZHSEJADLWPNLE-GRGSLBFTSA-N
HMDB15315,425.161852744,C22H24ClN5O2,ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2,"InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)",FGXWKSZFVQUSTL,UHFFFAOYSA,N,Domperidone,FGXWKSZFVQUSTL-UHFFFAOYSA-N
HMDB15316,336.210072999,C20H29FO3,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1",YLRFCQOZQXIBAB,RBZZARIASA,N,Fluoxymesterone,YLRFCQOZQXIBAB-RBZZARIASA-N
HMDB15317,314.181669532,C19H26N2S,[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC,"InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1",YEHCICAEULNIGD,MZMPZRCHSA,N,Pergolide,YEHCICAEULNIGD-MZMPZRCHSA-N
HMDB15318,416.121223592,C19H29IO2,CCOC(=O)CCCCCCCCC(C)C1=CC=CC=C1I,"InChI=1S/C19H29IO2/c1-3-22-19(21)15-9-7-5-4-6-8-12-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,16H,3-9,12,15H2,1-2H3",IWRUDYQZPTVTPA,UHFFFAOYSA,N,Iophendylate,IWRUDYQZPTVTPA-UHFFFAOYSA-N
HMDB15319,207.125928793,C12H17NO2,CC1=CC(=O)N(O)C(=C1)C1CCCCC1,"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3",SCKYRAXSEDYPSA,UHFFFAOYSA,N,Ciclopirox,SCKYRAXSEDYPSA-UHFFFAOYSA-N
HMDB15320,168.000983916,C3H2F6O,FC(F)OC(F)C(F)(F)F,"InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H",DPYMFVXJLLWWEU,UHFFFAOYSA,N,Desflurane,DPYMFVXJLLWWEU-UHFFFAOYSA-N
HMDB15321,424.179870573,C18H33ClN2O5S,CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1",KDLRVYVGXIQJDK,NOWPCOIGSA,N,Clindamycin,KDLRVYVGXIQJDK-NOWPCOIGSA-N
HMDB15322,231.123484132,C12H16F3N,CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1",DBGIVFWFUFKIQN,VIFPVBQESA,N,Dexfenfluramine,DBGIVFWFUFKIQN-VIFPVBQESA-N
HMDB15323,301.131408101,C17H19NO4,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O,"InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1",UQCNKQCJZOAFTQ,ISWURRPUSA,N,Oxymorphone,UQCNKQCJZOAFTQ-ISWURRPUSA-N
HMDB15324,336.204907394,C18H28N2O4,CCCC(=O)NC1=CC(C(C)=O)=C(OCC(O)CNC(C)C)C=C1,"InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)",GOEMGAFJFRBGGG,UHFFFAOYSA,N,Acebutolol,GOEMGAFJFRBGGG-UHFFFAOYSA-N
HMDB15325,383.064332867,C12H21N3O5S3,CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,"InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1",HCRKCZRJWPKOAR,JTQLQIEISA,N,Brinzolamide,HCRKCZRJWPKOAR-JTQLQIEISA-N
HMDB15326,414.137811746,C17H20F6N2O3,FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1,"InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)",DJBNUMBKLMJRSA,UHFFFAOYSA,N,Flecainide,DJBNUMBKLMJRSA-UHFFFAOYSA-N
HMDB15327,439.168099277,C23H31Cl2NO3,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H],"InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1",FRPJXPJMRWBBIH,RBRWEJTLSA,N,Estramustine,FRPJXPJMRWBBIH-RBRWEJTLSA-N
HMDB15328,217.077264041,C9H15NO3S,C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1",FAKRSMQSSFJEIM,RQJHMYQMSA,N,Captopril,FAKRSMQSSFJEIM-RQJHMYQMSA-N
HMDB15329,388.105066147,C17H17ClN6O3,CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3",GBBSUAFBMRNDJC,UHFFFAOYSA,N,Zopiclone,GBBSUAFBMRNDJC-UHFFFAOYSA-N
HMDB15330,609.296462054,C37H41N2O6,[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1",JFJZZMVDLULRGK,URLMMPGGSA,O,Tubocurarine,JFJZZMVDLULRGK-URLMMPGGSA-O
HMDB15331,653.221282062,C32H40BrN5O5,[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C,"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1",OZVBMTJYIDMWIL,AYFBDAFISA,N,Bromocriptine,OZVBMTJYIDMWIL-AYFBDAFISA-N
HMDB15332,876.452073532,C47H64N4O12,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(\C=N\N1CCN(CC1)C1CCCC1)=C2O,"InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1",WDZCUPBHRAEYDL,GZAUEHORSA,N,Rifapentine,WDZCUPBHRAEYDL-GZAUEHORSA-N
HMDB15333,170.105527702,C8H14N2O2,CC[C@@H](N1CCCC1=O)C(N)=O,"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1",HPHUVLMMVZITSG,ZCFIWIBFSA,N,Levetiracetam,HPHUVLMMVZITSG-ZCFIWIBFSA-N
HMDB15334,309.194008357,C17H27NO4,CC(C)(C)NCC(O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2,"InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1",VWPOSFSPZNDTMJ,UCWKZMIHSA,N,Nadolol,VWPOSFSPZNDTMJ-UCWKZMIHSA-N
HMDB15335,444.200884648,C22H28N4O6,OCCNCCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCCNCCO)C=C1,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM,UHFFFAOYSA,N,Mitoxantrone,KKZJGLLVHKMTCM-UHFFFAOYSA-N
HMDB15336,303.101919534,C15H14FN3O3,CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3",OFBIFZUFASYYRE,UHFFFAOYSA,N,Flumazenil,OFBIFZUFASYYRE-UHFFFAOYSA-N
HMDB15337,233.093104478,C9H16ClN3O2,ClCCN(N=O)C(=O)NC1CCCCC1,"InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)",GQYIWUVLTXOXAJ,UHFFFAOYSA,N,Lomustine,GQYIWUVLTXOXAJ-UHFFFAOYSA-N
HMDB15338,366.119127035,C18H17F3N2O3,OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F,"InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+",GLLPUTYLZIKEGF,HAVVHWLPSA,N,Ridogrel,GLLPUTYLZIKEGF-HAVVHWLPSA-N
HMDB15339,392.165997,C19H22F2N4O3,C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O,"InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+",DZZWHBIBMUVIIW,DTORHVGOSA,N,Sparfloxacin,DZZWHBIBMUVIIW-DTORHVGOSA-N
HMDB15340,245.177964363,C16H23NO,[H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N,"InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1",VTMVHDZWSFQSQP,VBNZEHGJSA,N,Dezocine,VTMVHDZWSFQSQP-VBNZEHGJSA-N
HMDB15341,291.183443671,C17H25NO3,CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O,"InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1",IXHBTMCLRNMKHZ,LBPRGKRZSA,N,Levobunolol,IXHBTMCLRNMKHZ-LBPRGKRZSA-N
HMDB15342,747.476891299,C38H69NO13,[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC,"InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",AGOYDEPGAOXOCK,KCBOHYOISA,N,Clarithromycin,AGOYDEPGAOXOCK-KCBOHYOISA-N
HMDB15343,554.04605704,C18H18N8O7S3,[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1",VAAUVRVFOQPIGI,SPQHTLEESA,N,Ceftriaxone,VAAUVRVFOQPIGI-SPQHTLEESA-N
HMDB15344,82.053098202,C4H6N2,CC1=CNN=C1,"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)",RIKMMFOAQPJVMX,UHFFFAOYSA,N,Fomepizole,RIKMMFOAQPJVMX-UHFFFAOYSA-N
HMDB15345,309.194008357,C17H27NO4,CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1,"InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3",BQIPXWYNLPYNHW,UHFFFAOYSA,N,Metipranolol,BQIPXWYNLPYNHW-UHFFFAOYSA-N
HMDB15346,294.067224079,C16H11ClN4,ClC1=CC2=C(C=C1)N1C=NN=C1CN=C2C1=CC=CC=C1,"InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2",CDCHDCWJMGXXRH,UHFFFAOYSA,N,Estazolam,CDCHDCWJMGXXRH-UHFFFAOYSA-N
HMDB15348,293.164045633,C17H19N5,CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N,"InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3",YBBLVLTVTVSKRW,UHFFFAOYSA,N,Anastrozole,YBBLVLTVTVSKRW-UHFFFAOYSA-N
HMDB15349,499.165654616,C26H30Cl2F3NO,CCCCN(CCCC)CCC(O)C1=C2C=CC(=CC2=C2C=C(Cl)C=C(Cl)C2=C1)C(F)(F)F,"InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3",FOHHNHSLJDZUGQ,UHFFFAOYSA,N,Halofantrine,FOHHNHSLJDZUGQ-UHFFFAOYSA-N
HMDB15350,314.06511945,C14H10N4O5,[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)C=NN1CC(=O)NC1=O,"InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)",OZOMQRBLCMDCEG,UHFFFAOYSA,N,Dantrolene,OZOMQRBLCMDCEG-UHFFFAOYSA-N
HMDB15351,785.352359489,C43H51N3O11,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C1=C(N=C5C=C(C)C=CN15)C4=C3C2=O,"InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1",NZCRJKRKKOLAOJ,XRCRFVBUSA,N,Rifaximin,NZCRJKRKKOLAOJ-XRCRFVBUSA-N
HMDB15352,237.092041846,C13H16ClNO,CNC1(CCCCC1=O)C1=CC=CC=C1Cl,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3",YQEZLKZALYSWHR,UHFFFAOYSA,N,Ketamine,YQEZLKZALYSWHR-UHFFFAOYSA-N
HMDB15353,430.23553882,C25H34O6,[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1",VOVIALXJUBGFJZ,KWVAZRHASA,N,Budesonide,VOVIALXJUBGFJZ-KWVAZRHASA-N
HMDB15354,420.198199306,C16H24N10O4,NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O,"InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2",FQPFAHBPWDRTLU,UHFFFAOYSA,N,Aminophylline,FQPFAHBPWDRTLU-UHFFFAOYSA-N
HMDB15356,1134.006993818,C26H42N2O37S5,CC(=O)NC1C(O)OC(COS(O)(=O)=O)C(OC2OC(C(OC3OC(CO)C(OC4OC(C(O)C(O)C4OS(O)(=O)=O)C(O)=O)C(OS(O)(=O)=O)C3NS(O)(=O)=O)C(O)C2OS(O)(=O)=O)C(O)=O)C1O,"InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)",HTTJABKRGRZYRN,UHFFFAOYSA,N,Enoxaparin,HTTJABKRGRZYRN-UHFFFAOYSA-N
HMDB15357,1028.560955278,C58H80N2O14,COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,"InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1",ILVYCEVXHALBSC,OTBYEXOQSA,N,Mivacurium,ILVYCEVXHALBSC-OTBYEXOQSA-N
HMDB15358,353.235479241,C23H31NO2,CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1",XBMIVRRWGCYBTQ,AVRDEDQJSA,N,Levomethadyl Acetate,XBMIVRRWGCYBTQ-AVRDEDQJSA-N
HMDB15359,352.21507815,C22H28N2O2,COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C,"InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)",PJWPNDMDCLXCOM,UHFFFAOYSA,N,Encainide,PJWPNDMDCLXCOM-UHFFFAOYSA-N
HMDB15360,853.330955345,C47H51NO14,[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C,"InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1",RCINICONZNJXQF,MZXODVADSA,N,Paclitaxel,RCINICONZNJXQF-MZXODVADSA-N
HMDB15361,309.209264491,C21H27NO,OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2",OGAKLTJNUQRZJU,UHFFFAOYSA,N,Diphenidol,OGAKLTJNUQRZJU-UHFFFAOYSA-N
HMDB15362,670.38426874,C38H50N6O5,CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1,"InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26?,27?,30-,31-,32-,33+/m0/s1",QWAXKHKRTORLEM,LINFGICFSA,N,Saquinavir,QWAXKHKRTORLEM-LINFGICFSA-N
HMDB15363,299.14005467,C14H22ClN3O2,CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC,"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",TTWJBBZEZQICBI,UHFFFAOYSA,N,Metoclopramide,TTWJBBZEZQICBI-UHFFFAOYSA-N
HMDB15364,392.199902243,C22H29FO5,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",UREBDLICKHMUKA,CXSFZGCWSA,N,Dexamethasone,UREBDLICKHMUKA-CXSFZGCWSA-N
HMDB15366,200.007212153,C4H3F7O,FCOC(C(F)(F)F)C(F)(F)F,"InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2",DFEYYRMXOJXZRJ,UHFFFAOYSA,N,Sevoflurane,DFEYYRMXOJXZRJ-UHFFFAOYSA-N
HMDB15367,333.072826914,C17H20BrNO,CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1,"InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3",NUNIWXHYABYXKF,UHFFFAOYSA,N,Bromodiphenhydramine,NUNIWXHYABYXKF-UHFFFAOYSA-N
HMDB15369,315.084847978,C18H18ClNS,[H]C(CCN(C)C)=C1C2=CC(Cl)=CC=C2SC2=C1C=CC=C2,"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3",WSPOMRSOLSGNFJ,UHFFFAOYSA,N,Chlorprothixene,WSPOMRSOLSGNFJ-UHFFFAOYSA-N
HMDB15371,250.15689457,C15H22O3,CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1,"InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)",HEMJJKBWTPKOJG,UHFFFAOYSA,N,Gemfibrozil,HEMJJKBWTPKOJG-UHFFFAOYSA-N
HMDB15372,314.154976453,C19H23ClN2,CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2,"InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3",GDLIGKIOYRNHDA,UHFFFAOYSA,N,Clomipramine,GDLIGKIOYRNHDA-UHFFFAOYSA-N
HMDB15373,212.974819201,C9H5Cl2NO,OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2,"InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",WDFKMLRRRCGAKS,UHFFFAOYSA,N,Chloroxine,WDFKMLRRRCGAKS-UHFFFAOYSA-N
HMDB15374,366.26711372,C24H34N2O,CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1,"InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3",UIEATEWHFDRYRU,UHFFFAOYSA,N,Bepridil,UIEATEWHFDRYRU-UHFFFAOYSA-N
HMDB15375,258.303499226,C16H38N2,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,"InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2",MTCUAOILFDZKCO,UHFFFAOYSA,N,Decamethonium,MTCUAOILFDZKCO-UHFFFAOYSA-N
HMDB15376,298.150369404,C18H22N2S,CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3",ZZHLYYDVIOPZBE,UHFFFAOYSA,N,Trimeprazine,ZZHLYYDVIOPZBE-UHFFFAOYSA-N
HMDB15377,231.100776675,C12H13N3O2,CC1=CC(=NO1)C(=O)NNCC1=CC=CC=C1,"InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)",XKFPYPQQHFEXRZ,UHFFFAOYSA,N,Isocarboxazid,XKFPYPQQHFEXRZ-UHFFFAOYSA-N
HMDB15378,807.346605409,C43H53NO14,[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1,"InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1",ZDZOTLJHXYCWBA,VCVYQWHSSA,N,Docetaxel,ZDZOTLJHXYCWBA-VCVYQWHSSA-N
HMDB15379,1549.713275288,C35H44I6N6O15,CC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,"InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)",NBQNWMBBSKPBAY,UHFFFAOYSA,N,Iodixanol,NBQNWMBBSKPBAY-UHFFFAOYSA-N
HMDB15380,302.053886062,C14H10N2O6,OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(O)C(=C1)C(O)=O,"InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+",QQBDLJCYGRGAKP,FOCLMDBBSA,N,Olsalazine,QQBDLJCYGRGAKP-FOCLMDBBSA-N
HMDB15381,527.209006493,C27H33N3O6S,COC1=CC2=C(C=C1)C(C)(C)C(=O)N(CCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1)C2=O,"InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)",LLJFMFZYVVLQKT,UHFFFAOYSA,N,Gliquidone,LLJFMFZYVVLQKT-UHFFFAOYSA-N
HMDB15382,315.183443671,C19H25NO3,OC(=O)C(CC(=O)N1CC2CCCCC2C1)CC1=CC=CC=C1,"InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)",WPGGHFDDFPHPOB,UHFFFAOYSA,N,Mitiglinide,WPGGHFDDFPHPOB-UHFFFAOYSA-N
HMDB15383,325.179026995,C19H23N3O2,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](C)CO,"InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1",WVVSZNPYNCNODU,XTQGRXLLSA,N,Ergonovine,WVVSZNPYNCNODU-XTQGRXLLSA-N
HMDB15384,487.155721508,C22H26ClN7O2S,CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1,"InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)",ZBNZXTGUTAYRHI,UHFFFAOYSA,N,Dasatinib,ZBNZXTGUTAYRHI-UHFFFAOYSA-N
HMDB15385,263.199762437,C15H25N3O,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN,"InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1",VOBHXZCDAVEXEY,JSGCOSHPSA,N,Lisdexamfetamine,VOBHXZCDAVEXEY-JSGCOSHPSA-N
HMDB15386,517.322579687,C30H47NO4S,C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CSC1C[C@@H]2CC[C@H](C1)N2C,"InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1",STZYTFJPGGDRJD,FJJJPKKESA,N,Retapamulin,STZYTFJPGGDRJD-FJJJPKKESA-N
HMDB15387,551.393436443,C30H53N3O6,COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1,"InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1",UXOWGYHJODZGMF,QORCZRPOSA,N,Aliskiren,UXOWGYHJODZGMF-QORCZRPOSA-N
HMDB15388,580.134731942,C29H26ClFN4O4S,CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1,"InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)",BCFGMOOMADDAQU,UHFFFAOYSA,N,Lapatinib,BCFGMOOMADDAQU-UHFFFAOYSA-N
HMDB15389,416.219888756,C24H32O6,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,"InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1",WBGKWQHBNHJJPZ,LECWWXJVSA,N,Desonide,WBGKWQHBNHJJPZ-LECWWXJVSA-N
HMDB15390,407.118079357,C16H15F6N5O,N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F,"InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1",MFFMDFFZMYYVKS,SECBINFHSA,N,Sitagliptin,MFFMDFFZMYYVKS-SECBINFHSA-N
HMDB15391,228.085854892,C8H12N4O4,NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1,"InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1",XAUDJQYHKZQPEU,KVQBGUIXSA,N,Decitabine,XAUDJQYHKZQPEU-KVQBGUIXSA-N
HMDB15392,700.329708282,C37H42F2N8O4,CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OCC2CO[C@](CN3C=NC=N3)(C2)C2=C(F)C=C(F)C=C2)C=C1,"InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27?,35-,37-/m0/s1",RAGOYPUPXAKGKH,AGDNISCASA,N,Posaconazole,RAGOYPUPXAKGKH-AGDNISCASA-N
HMDB15393,547.235221243,C27H37N3O7S,[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1",CJBJHOAVZSMMDJ,HEXNFIEUSA,N,Darunavir,CJBJHOAVZSMMDJ-HEXNFIEUSA-N
HMDB15394,242.090271568,C10H14N2O5,CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1",IQFYYKKMVGJFEH,CSMHCCOUSA,N,Telbivudine,IQFYYKKMVGJFEH-CSMHCCOUSA-N
HMDB15396,426.206718955,C23H27FN4O3,CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1,"InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3",PMXMIIMHBWHSKN,UHFFFAOYSA,N,Paliperidone,PMXMIIMHBWHSKN-UHFFFAOYSA-N
HMDB15397,398.211804333,C22H27FN4O2,CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C,"InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-",WINHZLLDWRZWRT,ATVHPVEESA,N,Sunitinib,WINHZLLDWRZWRT-ATVHPVEESA-N
HMDB15398,211.110947431,C13H13N3,[H][C@]12C[C@]([H])(CNC1)C1=CC3=NC=CN=C3C=C21,"InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+",JQSHBVHOMNKWFT,DTORHVGOSA,N,Varenicline,JQSHBVHOMNKWFT-DTORHVGOSA-N
HMDB15399,344.173607266,C19H24N2O4,COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC(NC=O)=C(O)C=C2)C=C1,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1",BPZSYCZIITTYBL,YJYMSZOUSA,N,Arformoterol,BPZSYCZIITTYBL-YJYMSZOUSA-N
HMDB15400,160.074896276,C8H8N4,NNC1=NN=CC2=CC=CC=C12,"InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)",RPTUSVTUFVMDQK,UHFFFAOYSA,N,Hydralazine,RPTUSVTUFVMDQK-UHFFFAOYSA-N
HMDB15401,297.107318615,C11H15N5O5,COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1",IXOXBSCIXZEQEQ,UHTZMRCNSA,N,Nelarabine,IXOXBSCIXZEQEQ-UHTZMRCNSA-N
HMDB15402,987.484787417,C45H69N11O12S,[H][C@]1(NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC,"InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1",NSTRIRCPWQHTIA,DTRKZRJBSA,N,Carbetocin,NSTRIRCPWQHTIA-DTRKZRJBSA-N
HMDB15403,293.061884577,C15H13ClFNO2,CC1=CC=C(NC2=C(Cl)C=CC=C2F)C(CC(O)=O)=C1,"InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)",KHPKQFYUPIUARC,UHFFFAOYSA,N,Lumiracoxib,KHPKQFYUPIUARC-UHFFFAOYSA-N
HMDB15404,679.267584003,C34H41N5O8S,CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@@H]3CC4C5=C6C(C[C@@]4([H])N(C)C3)=CNC6=CC=C5)O[C@@]21O,"InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23?,25-,26+,27+,32-,33+;/m1./s1",ADYPXRFPBQGGAH,WVVAGBSPSA,N,Dihydroergotoxine,ADYPXRFPBQGGAH-WVVAGBSPSA-N
HMDB15405,303.147058165,C17H21NO4,CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3",LSLYOANBFKQKPT,UHFFFAOYSA,N,Fenoterol,LSLYOANBFKQKPT-UHFFFAOYSA-N
HMDB15406,449.173289689,C20H27N5O5S,CC1=CC(=NO1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1,"InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)",ZKUDBRCEOBOWLF,UHFFFAOYSA,N,Glisoxepide,ZKUDBRCEOBOWLF-UHFFFAOYSA-N
HMDB15407,240.147392516,C12H20N2O3,CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1,"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3",VQDBNKDJNJQRDG,UHFFFAOYSA,N,Pirbuterol,VQDBNKDJNJQRDG-UHFFFAOYSA-N
HMDB15408,361.999166889,C7H5BiO4,O[Bi]1OC(=O)C2=CC=CC=C2O1,"InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3",ZREIPSZUJIFJNP,UHFFFAOYSA,K,Bismuth Subsalicylate,ZREIPSZUJIFJNP-UHFFFAOYSA-K
HMDB15409,345.194008357,C20H27NO4,COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1,"InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3",HXLAFSUPPDYFEO,UHFFFAOYSA,N,Bevantolol,HXLAFSUPPDYFEO-UHFFFAOYSA-N
HMDB15411,266.16304258,C14H22N2O3,CC(C)NCC(O)COC1=CC=C(NC(C)=O)C=C1,"InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)",DURULFYMVIFBIR,UHFFFAOYSA,N,Practolol,DURULFYMVIFBIR-UHFFFAOYSA-N
HMDB15412,294.078661024,C12H14N4O3S,CCN1C=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC1=O,"InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)",SIBQAECNSSQUOD,UHFFFAOYSA,N,Sulfacytine,SIBQAECNSSQUOD-UHFFFAOYSA-N
HMDB15413,310.073575646,C12H14N4O4S,COC1=NC=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1OC,"InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",PJSFRIWCGOHTNF,UHFFFAOYSA,N,Sulfadoxine,PJSFRIWCGOHTNF-UHFFFAOYSA-N
HMDB15414,527.226765047,C27H33N3O8,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C,"InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14-,15-,20-,26+,27-/m0/s1",HMEYVGGHISAPJR,IAHYZSEUSA,N,Rolitetracycline,HMEYVGGHISAPJR-IAHYZSEUSA-N
HMDB15415,283.164439563,C12H21N5O3,C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O,"InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9,12);7H,4-5H2,1-3H3/q;+1/p-1",RLANKEDHRWMNRO,UHFFFAOYSA,M,Oxtriphylline,RLANKEDHRWMNRO-UHFFFAOYSA-M
HMDB15416,585.190986967,C25H36N3O9PS,CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1",MLBVMOWEQCZNCC,OEMFJLHTSA,N,Fosamprenavir,MLBVMOWEQCZNCC-OEMFJLHTSA-N
HMDB15417,362.066772734,C16H15N2O6P,OP(O)(=O)OCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)",XWLUWCNOOVRFPX,UHFFFAOYSA,N,Fosphenytoin,XWLUWCNOOVRFPX-UHFFFAOYSA-N
HMDB15418,827.466720543,C42H69NO15,CO[C@H]1[C@H](OC(=O)C)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)CC(C)C)[C@](C)(O)C2)[C@H](N(C)C)[C@H]1O,"InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1",XJSFLOJWULLJQS,NGVXBBESSA,N,Josamycin,XJSFLOJWULLJQS-NGVXBBESSA-N
HMDB15419,438.970880311,C11H13ClF3N3O4S3,CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O,"InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)",CYLWJCABXYDINA,UHFFFAOYSA,N,Polythiazide,CYLWJCABXYDINA-UHFFFAOYSA-N
HMDB15420,289.028789662,C10H12ClN3O3S,CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O,"InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)",AGMMTXLNIQSRCG,UHFFFAOYSA,N,Quinethazone,AGMMTXLNIQSRCG-UHFFFAOYSA-N
HMDB15421,462.078009096,C18H18N6O5S2,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1",OLVCFLKTBJRLHI,AXAPSJFSSA,N,Cefamandole,OLVCFLKTBJRLHI-AXAPSJFSSA-N
HMDB15422,454.030013046,C14H14N8O4S3,[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O,"InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1",MLYYVTUWGNIJIB,BXKDBHETSA,N,Cefazolin,MLYYVTUWGNIJIB-BXKDBHETSA-N
HMDB15423,542.034823652,C18H18N6O8S3,[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1",DYAIAHUQIPBDIP,AXAPSJFSSA,N,Cefonicid,DYAIAHUQIPBDIP-AXAPSJFSSA-N
HMDB15424,645.142400265,C25H27N9O8S2,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15?,16-,22-/m1/s1",GCFBRXLSHGKWDP,WTKTZPJXSA,N,Cefoperazone,GCFBRXLSHGKWDP-WTKTZPJXSA-N
HMDB15425,575.002143315,C17H17N7O8S4,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O,"InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1",SRZNHPXWXCNNDU,IXOPCIAXSA,N,Cefotetan,SRZNHPXWXCNNDU-IXOPCIAXSA-N
HMDB15426,427.050791293,C16H17N3O7S2,[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)CC1=CC=CS1)OC)C(O)=O,"InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1",WZOZEZRFJCJXNZ,ZBFHGGJFSA,N,Cefoxitin,WZOZEZRFJCJXNZ-ZBFHGGJFSA-N
HMDB15427,383.035809931,C13H13N5O5S2,[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1",NNULBSISHYWZJU,LLKWHZGFSA,N,Ceftizoxime,NNULBSISHYWZJU-LLKWHZGFSA-N
HMDB15428,349.109626801,C16H19N3O4S,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O,"InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",RDLPVSKMFDYCOR,UEKVPHQBSA,N,Cefradine,RDLPVSKMFDYCOR-UEKVPHQBSA-N
HMDB15429,652.351237278,C40H48N2O6,[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3,"InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1",JFXBEKISTKFVAB,AJQTZOPKSA,N,Metocurine,JFXBEKISTKFVAB-AJQTZOPKSA-N
HMDB15430,572.455308418,C35H60N2O4,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1,"InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",GVEAYVLWDAFXET,XGHATYIMSA,N,Pancuronium,GVEAYVLWDAFXET-XGHATYIMSA-N
HMDB15431,602.477106492,C35H62N4O4,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1,"InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",OWWLUIWOFHMHOQ,XGHATYIMSA,N,Pipecuronium,OWWLUIWOFHMHOQ-XGHATYIMSA-N
HMDB15432,557.431833322,C34H57N2O4,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1,"InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",BGSZAXLLHYERSY,XQIGCQGXSA,N,Vecuronium,BGSZAXLLHYERSY-XQIGCQGXSA-N
HMDB15433,417.226371117,C22H31N3O5,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O,"InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1",HHHKFGXWKKUNCY,FHWLQOOXSA,N,Cilazapril,HHHKFGXWKKUNCY-FHWLQOOXSA-N
HMDB15434,416.243692936,C23H28N8,CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1,"InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)",YONOBYIBNBCDSJ,UHFFFAOYSA,N,Forasartan,YONOBYIBNBCDSJ-UHFFFAOYSA-N
HMDB15436,556.268570282,C32H36N4O5,CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C,"InChI=1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)",YHRUERMOPBDCFD,UHFFFAOYSA,N,Quinidine barbiturate,YHRUERMOPBDCFD-UHFFFAOYSA-N
HMDB15437,610.049723164,C25H22BrF3N4O4S,CCC1=NC(C2CC2)=C(N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2NS(=O)(=O)C(F)(F)F)C=C1)C(N)=O,"InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)",DUEWVPTZCSAMNB,UHFFFAOYSA,N,Saprisartan,DUEWVPTZCSAMNB-UHFFFAOYSA-N
HMDB15438,466.15961346,C22H30N2O5S2,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2,"InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1",HRWCVUIFMSZDJS,SZMVWBNQSA,N,Spirapril,HRWCVUIFMSZDJS-SZMVWBNQSA-N
HMDB15439,411.180758329,C23H21N7O,CC1=NC(C)=C2CCC(=O)N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C2=N1,"InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)",ADXGNEYLLLSOAR,UHFFFAOYSA,N,Tasosartan,ADXGNEYLLLSOAR-UHFFFAOYSA-N
HMDB15440,226.131742452,C11H18N2O3,CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,"InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",VIROVYVQCGLCII,UHFFFAOYSA,N,Amobarbital,VIROVYVQCGLCII-UHFFFAOYSA-N
HMDB15441,210.100442324,C10H14N2O3,CC(C)C1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)",UORJNBVJVRLXMQ,UHFFFAOYSA,N,Aprobarbital,UORJNBVJVRLXMQ-UHFFFAOYSA-N
HMDB15442,212.116092388,C10H16N2O3,CCCCC1(CC)C(=O)NC(=O)NC1=O,"InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)",STDBAQMTJLUMFW,UHFFFAOYSA,N,Butethal,STDBAQMTJLUMFW-UHFFFAOYSA-N
HMDB15443,250.131742452,C13H18N2O3,CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1,"InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)",PAZQYDJGLKSCSI,UHFFFAOYSA,N,Heptabarbital,PAZQYDJGLKSCSI-UHFFFAOYSA-N
HMDB15444,236.116092388,C12H16N2O3,CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1,"InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)",UYXAWHWODHRRMR,UHFFFAOYSA,N,Hexobarbital,UYXAWHWODHRRMR-UHFFFAOYSA-N
HMDB15446,310.193280076,C21H26O2,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3,"InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1",IMSSROKUHAOUJS,MJCUULBUSA,N,Mestranol,IMSSROKUHAOUJS-MJCUULBUSA-N
HMDB15447,291.219829177,C18H29NO2,CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1,"InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1",KQXKVJAGOJTNJS,HNNXBMFYSA,N,Penbutolol,KQXKVJAGOJTNJS-HNNXBMFYSA-N
HMDB15448,813.451070479,C41H67NO15,CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O,"InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1",LQCLVBQBTUVCEQ,QTFUVMRISA,N,Troleandomycin,LQCLVBQBTUVCEQ-QTFUVMRISA-N
HMDB15449,820.880309705,C19H26I3N3O9,CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,"InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)",NTHXOOBQLCIOLC,UHFFFAOYSA,N,Iohexol,NTHXOOBQLCIOLC-UHFFFAOYSA-N
HMDB15451,165.115364107,C10H15NO,CN[C@@H](C)[C@H](O)C1=CC=CC=C1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1",KWGRBVOPPLSCSI,WPRPVWTQSA,N,Ephedrine,KWGRBVOPPLSCSI-WPRPVWTQSA-N
HMDB15452,163.136099549,C11H17N,CNC(C)(C)CC1=CC=CC=C1,"InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3",RXQCGGRTAILOIN,UHFFFAOYSA,N,Mephentermine,RXQCGGRTAILOIN-UHFFFAOYSA-N
HMDB15453,290.16304258,C16H22N2O3,CC[C@H](NC(C)C)[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1,"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m0/s1",FKNXQNWAXFXVNW,BLLLJJGKSA,N,Procaterol,FKNXQNWAXFXVNW-BLLLJJGKSA-N
HMDB15454,171.104799421,C12H13N,C#CCN[C@@H]1CCC2=CC=CC=C12,"InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1",RUOKEQAAGRXIBM,GFCCVEGCSA,N,Rasagiline,RUOKEQAAGRXIBM-GFCCVEGCSA-N
HMDB15455,1021.473160099,C53H67N9O10S,CC[C@H]1NC(=O)[C@@H](NC(=O)C2=NC=CC=C2O)[C@@H](C)OC(=O)[C@@H](NC(=O)C2CC(=O)C(CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](CC2=CC=C(C=C2)N(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O)C1=CC=CC=C1,"InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35?,37-,38+,39?,40+,43-,44+,45+/m1/s1",WTHRRGMBUAHGNI,MJWHERSYSA,N,Quinupristin,WTHRRGMBUAHGNI-MJWHERSYSA-N
HMDB15456,26.981538441,Al,[Al],InChI=1S/Al,XAGFODPZIPBFFR,UHFFFAOYSA,N,Aluminium,XAGFODPZIPBFFR-UHFFFAOYSA-N
HMDB15457,137.02687119,C2H8AlNO4,O.O.NCC(=O)O[Al],"InChI=1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+1;;/p-1",RBNPZEHAODHBPZ,UHFFFAOYSA,M,Dihydroxyaluminium,RBNPZEHAODHBPZ-UHFFFAOYSA-M
HMDB15458,39.97995652,MgO,O=[Mg],InChI=1S/Mg.O,CPLXHLVBOLITMK,UHFFFAOYSA,N,Magnesium oxide,CPLXHLVBOLITMK-UHFFFAOYSA-N
HMDB15459,402.204238692,C23H30O6,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",ITRJWOMZKQRYTA,RFZYENFJSA,N,Cortisone acetate,ITRJWOMZKQRYTA-RFZYENFJSA-N
HMDB15461,309.078326673,C13H15N3O4S,COCCOC1=CN=C(NS(=O)(=O)C2=CC=CC=C2)N=C1,"InChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)",QFWPJPIVLCBXFJ,UHFFFAOYSA,N,Glycodiazine,QFWPJPIVLCBXFJ-UHFFFAOYSA-N
HMDB15462,392.199902243,C22H29FO5,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@]([H])(F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1",MKPDWECBUAZOHP,AFYJWTTESA,N,Paramethasone,MKPDWECBUAZOHP-AFYJWTTESA-N
HMDB15464,354.194342708,C21H26N2O3,[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2,"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1",BLGXFZZNTVWLAY,SCYLSFHTSA,N,Yohimbine,BLGXFZZNTVWLAY-SCYLSFHTSA-N
HMDB15465,361.10808584,C19H20ClNO4,CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O,"InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)",IIBYAHWJQTYFKB,UHFFFAOYSA,N,Bezafibrate,IIBYAHWJQTYFKB-UHFFFAOYSA-N
HMDB15466,399.168187537,C22H25NO6,COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1C(CC2)NC(C)=O,"InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)",IAKHMKGGTNLKSZ,UHFFFAOYSA,N,Colchicine,IAKHMKGGTNLKSZ-UHFFFAOYSA-N
HMDB15467,366.219494826,C24H30O3,[H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21,"InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1",METQSPRSQINEEU,HXCATZOESA,N,Drospirenone,METQSPRSQINEEU-HXCATZOESA-N
HMDB15468,764.434692134,C41H64O13,[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1,"InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1",WDJUZGPOPHTGOT,XUDUSOBPSA,N,Digitoxin,WDJUZGPOPHTGOT-XUDUSOBPSA-N
HMDB15469,298.03277995,C14H10MgO6,[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O,"InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",MQHWFIOJQSCFNM,UHFFFAOYSA,L,Magnesium salicylate,MQHWFIOJQSCFNM-UHFFFAOYSA-L
HMDB15470,160.013638701,C7H5NaO3,[Na+].OC1=CC=CC=C1C([O-])=O,"InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",ABBQHOQBGMUPJH,UHFFFAOYSA,M,Salicylate-sodium,ABBQHOQBGMUPJH-UHFFFAOYSA-M
HMDB15471,258.05282343,C14H10O5,OC(=O)C1=CC=CC=C1OC(=O)C1=CC=CC=C1O,"InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)",WVYADZUPLLSGPU,UHFFFAOYSA,N,Salsalate,WVYADZUPLLSGPU-UHFFFAOYSA-N
HMDB15472,223.144652862,C12H19N2O2,CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C,"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1",ALWKGYPQUAPLQC,UHFFFAOYSA,N,Neostigmine,ALWKGYPQUAPLQC-UHFFFAOYSA-N
HMDB15473,539.164188051,C26H29MgNO10,[Mg++].C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O,"InChI=1S/3C7H6O3.C5H14NO.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h3*1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;;;+1;+2/p-3",FQCQGOZEWWPOKI,UHFFFAOYSA,K,Trisalicylate-choline,FQCQGOZEWWPOKI-UHFFFAOYSA-K
HMDB15474,328.16093409,C19H24N2OS,COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1,"InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1",VRQVVMDWGGWHTJ,CQSZACIVSA,N,Methotrimeprazine,VRQVVMDWGGWHTJ-CQSZACIVSA-N
HMDB15477,276.079618622,C12H18Cl2N2O,CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1,"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",STJMRWALKKWQGH,UHFFFAOYSA,N,Clenbuterol,STJMRWALKKWQGH-UHFFFAOYSA-N
HMDB15478,367.210721053,C18H29N3O5,CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C,"InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3",ANZXOIAKUNOVQU,UHFFFAOYSA,N,Bambuterol,ANZXOIAKUNOVQU-UHFFFAOYSA-N
HMDB15479,392.099024577,C19H22NO4S2,C[N+]1(C)[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1,"InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11?,12-,13+,16+,17-",LERNTVKEWCAPOY,KYQOMENCSA,N,Tiotropium,LERNTVKEWCAPOY-KYQOMENCSA-N
HMDB15480,540.308703762,C32H44O7,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(O2)C1CCCCC1)C(=O)COC(=O)C(C)C,"InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29?,30-,31-,32+/m0/s1",LUKZNWIVRBCLON,FOMURGDPSA,N,Ciclesonide,LUKZNWIVRBCLON-FOMURGDPSA-N
HMDB15481,481.175004249,C27H23N5O4,O=C(NC1=CC2=C(C=C1)C(=O)C=C(O2)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1,"InChI=1S/C27H23N5O4/c33-23-17-25(26-29-31-32-30-26)36-24-16-20(11-14-22(23)24)28-27(34)19-9-12-21(13-10-19)35-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14,16-17H,4-5,8,15H2,(H,28,34)(H,29,30,31,32)",UAJUXJSXCLUTNU,UHFFFAOYSA,N,Pranlukast,UAJUXJSXCLUTNU-UHFFFAOYSA-N
HMDB15483,480.124959288,C19H24N6O5S2,CO\N=C(/C(=O)N[C@@H]1C(=O)N2[C@]1([H])SCC(C[N+]1(C)CCCC1)=C2C([O-])=O)C1=CSC(N)=N1,"InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1",HVFLCNVBZFFHBT,ZKDACBOMSA,N,Cefepime,HVFLCNVBZFFHBT-ZKDACBOMSA-N
HMDB15484,339.052505853,C13H13N3O6S,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC#N)C(O)=O,"InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1",RRYMAQUWDLIUPV,BXKDBHETSA,N,Cefacetrile,RRYMAQUWDLIUPV-BXKDBHETSA-N
HMDB15485,410.03547558,C15H14N4O6S2,[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1",UNJFKXSSGBWRBZ,BJCIPQKHSA,N,Ceftibuten,UNJFKXSSGBWRBZ-BJCIPQKHSA-N
HMDB15486,427.062024681,C15H17N5O6S2,[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1",WYUSVOMTXWRGEK,HBWVYFAYSA,N,Cefpodoxime,WYUSVOMTXWRGEK-HBWVYFAYSA-N
HMDB15487,353.089937217,C19H15NO6,CC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C1=C(O)C2=CC=CC=C2OC1=O,"InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3",VABCILAOYCMVPS,UHFFFAOYSA,N,Acenocoumarol,VABCILAOYCMVPS-UHFFFAOYSA-N
HMDB15488,588.195995326,C30H26F6N4O2,FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1,"InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)",NWGGKKGAFZIVBJ,UHFFFAOYSA,N,Antrafenine,NWGGKKGAFZIVBJ-UHFFFAOYSA-N
HMDB15489,344.23514489,C22H32O3,[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1",PDMMFKSKQVNJMI,BLQWBTBKSA,N,Testosterone Propionate,PDMMFKSKQVNJMI-BLQWBTBKSA-N
HMDB15490,615.296301173,C23H45N5O14,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",UOZODPSAJZTQNH,LSWIJEOBSA,N,Paromomycin,UOZODPSAJZTQNH-LSWIJEOBSA-N
HMDB15491,190.037842068,C9H6N2O3,OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O,"InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H",RJIWZDNTCBHXAL,UHFFFAOYSA,N,Nitroxoline,RJIWZDNTCBHXAL-UHFFFAOYSA-N
HMDB15492,273.012949225,C10H11NO4S2,CC(SC(=O)C1=CC=CS1)C(=O)NCC(O)=O,"InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)",JNYSEDHQJCOWQU,UHFFFAOYSA,N,Stepronin,JNYSEDHQJCOWQU-UHFFFAOYSA-N
HMDB15493,231.137162181,C13H17N3O,CN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1,"InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3",RMMXTBMQSGEXHJ,UHFFFAOYSA,N,Aminophenazone,RMMXTBMQSGEXHJ-UHFFFAOYSA-N
HMDB15494,315.169524941,C16H21N5O2,COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C,"InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)",KSEYRUGYKHXGFW,UHFFFAOYSA,N,Alizapride,KSEYRUGYKHXGFW-UHFFFAOYSA-N
HMDB15495,326.199428086,C20H26N2O2,CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)C5=CC=CC=C5[C@]44C[C@@H](C2[C@H]4O)N3[C@@H]1O,"InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16?,17-,18+,19+,20+/m0/s1",CJDRUOGAGYHKKD,HEFSZTOGSA,N,Ajmaline,CJDRUOGAGYHKKD-HEFSZTOGSA-N
HMDB15496,187.074561925,C10H9N3O,NC1=CC(=CNC1=O)C1=CC=NC=C1,"InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)",RNLQIBCLLYYYFJ,UHFFFAOYSA,N,Amrinone,RNLQIBCLLYYYFJ-UHFFFAOYSA-N
HMDB15497,228.07864425,C14H12O3,COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3",DXGLGDHPHMLXJC,UHFFFAOYSA,N,Oxybenzone,DXGLGDHPHMLXJC-UHFFFAOYSA-N
HMDB15498,322.24089897,C22H30N2,CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1,"InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3",NZLBHDRPUJLHCE,UHFFFAOYSA,N,Aprindine,NZLBHDRPUJLHCE-UHFFFAOYSA-N
HMDB15499,477.245250373,C26H29F2N7,FC1=CC=C(C=C1)C(N1CCN(CC1)C1=NC(NCC=C)=NC(NCC=C)=N1)C1=CC=C(F)C=C1,"InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)",OBDOVFRMEYHSQB,UHFFFAOYSA,N,Almitrine,OBDOVFRMEYHSQB-UHFFFAOYSA-N
HMDB15500,300.245315646,C21H32O,[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H],"InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1",ATXHVCQZZJYMCF,XUDSTZEESA,N,Allylestrenol,ATXHVCQZZJYMCF-XUDSTZEESA-N
HMDB15502,353.235479241,C23H31NO2,CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3",XBMIVRRWGCYBTQ,UHFFFAOYSA,N,Methadyl Acetate,XBMIVRRWGCYBTQ-UHFFFAOYSA-N
HMDB15503,188.094963016,C11H12N2O,CN1N(C(=O)C=C1C)C1=CC=CC=C1,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",VEQOALNAAJBPNY,UHFFFAOYSA,N,Antipyrine,VEQOALNAAJBPNY-UHFFFAOYSA-N
HMDB15504,400.334130652,C27H44O2,CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1",OFHCOWSQAMBJIW,AVJTYSNKSA,N,Alfacalcidol,OFHCOWSQAMBJIW-AVJTYSNKSA-N
HMDB15505,217.110278729,C13H15NO2,CCC1(CCC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)",JMBQKKAJIKAWKF,UHFFFAOYSA,N,Glutethimide,JMBQKKAJIKAWKF-UHFFFAOYSA-N
HMDB15506,213.101445377,C11H11N5,NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1,"InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+",QPFYXYFORQJZEC,FOCLMDBBSA,N,Phenazopyridine,QPFYXYFORQJZEC-FOCLMDBBSA-N
HMDB15507,103.03951909,C4H7O3,OCCCC([O-])=O,"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/p-1",SJZRECIVHVDYJC,UHFFFAOYSA,M,Gamma Hydroxybutyric Acid,SJZRECIVHVDYJC-UHFFFAOYSA-M
HMDB15508,215.167399677,C15H21N,CCNC1C2CCC(C2)C1C1=CC=CC=C1,"InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3",IKFBPFGUINLYQI,UHFFFAOYSA,N,Fencamfamine,IKFBPFGUINLYQI-UHFFFAOYSA-N
HMDB15509,313.167793607,C19H23NO3,[H][C@@]12OC3=C(OCC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1",OGDVEMNWJVYAJL,LEPYJNQMSA,N,Ethylmorphine,OGDVEMNWJVYAJL-LEPYJNQMSA-N
HMDB15510,313.08626947,C16H12FN3O3,CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3",PPTYJKAXVCCBDU,UHFFFAOYSA,N,Flunitrazepam,PPTYJKAXVCCBDU-UHFFFAOYSA-N
HMDB15511,315.000724604,C14H10BrN3O,BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1,"InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)",VMIYHDSEFNYJSL,UHFFFAOYSA,N,Bromazepam,VMIYHDSEFNYJSL-UHFFFAOYSA-N
HMDB15512,318.059361509,C16H15ClN2OS,CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl,"InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3",CHBRHODLKOZEPZ,UHFFFAOYSA,N,Clotiazepam,CHBRHODLKOZEPZ-UHFFFAOYSA-N
HMDB15513,302.062218928,C16H12ClFN2O,CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F,"InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3",ROYOYTLGDLIGBX,UHFFFAOYSA,N,Fludiazepam,ROYOYTLGDLIGBX-UHFFFAOYSA-N
HMDB15516,135.104799421,C9H13N,C[C@H](N)CC1=CC=CC=C1,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1",KWTSXDURSIMDCE,QMMMGPOBSA,N,Dextroamphetamine,KWTSXDURSIMDCE-QMMMGPOBSA-N
HMDB15517,149.120449485,C10H15N,CN[C@@H](C)CC1=CC=CC=C1,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1",MYWUZJCMWCOHBA,VIFPVBQESA,N,Methamphetamine,MYWUZJCMWCOHBA-VIFPVBQESA-N
HMDB15518,788.854094955,C18H22I3N3O8,CN(C(C)=O)C1=C(I)C(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C(I)C(NC(C)=O)=C1I,"InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1",BAQCROVBDNBEEB,UBYUBLNFSA,N,Metrizamide,BAQCROVBDNBEEB-UBYUBLNFSA-N
HMDB15519,191.131014171,C12H17NO,CC1C(OCCN1C)C1=CC=CC=C1,"InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3",MFOCDFTXLCYLKU,UHFFFAOYSA,N,Phendimetrazine,MFOCDFTXLCYLKU-UHFFFAOYSA-N
HMDB15520,265.167793607,C15H23NO3,CC(C)NCC(O)COC1=CC=CC=C1OCC=C,"InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3",CEMAWMOMDPGJMB,UHFFFAOYSA,N,Oxprenolol,CEMAWMOMDPGJMB-UHFFFAOYSA-N
HMDB15521,264.068096338,C11H12N4O2S,CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC=C1,"InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",QPPBRPIAZZHUNT,UHFFFAOYSA,N,Sulfamerazine,QPPBRPIAZZHUNT-UHFFFAOYSA-N
HMDB15522,278.083746402,C12H14N4O2S,CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",ASWVTGNCAZCNNR,UHFFFAOYSA,N,Sulfamethazine,ASWVTGNCAZCNNR-UHFFFAOYSA-N
HMDB15523,1471.440608948,C30H21I7N2Na2O8,[Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O,"InChI=1S/C15H11I4NO4.C15H12I3NO4.2Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);1-4,6,12,20H,5,19H2,(H,21,22);;/q;;2*+1/p-2/t2*12-;;/m00../s1",LKYWLLWWYBVUPP,XOCLESOZSA,L,Liotrix,LKYWLLWWYBVUPP-XOCLESOZSA-L
HMDB15526,368.092770127,C20H17ClN2O3,CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1,"InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3",PWAJCNITSBZRBL,UHFFFAOYSA,N,Ketazolam,PWAJCNITSBZRBL-UHFFFAOYSA-N
HMDB15527,324.102940883,C19H17ClN2O,ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1,"InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2",MWQCHHACWWAQLJ,UHFFFAOYSA,N,Prazepam,MWQCHHACWWAQLJ-UHFFFAOYSA-N
HMDB15528,386.026759579,C17H11ClF4N2S,FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2,"InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2",IKMPWMZBZSAONZ,UHFFFAOYSA,N,Quazepam,IKMPWMZBZSAONZ-UHFFFAOYSA-N
HMDB15529,957.581356369,C53H83NO14,CO[C@@H]1C[C@H](C[C@H](C)C2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@@H](C)C[C@@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@H]3CC[C@H](C)[C@](O)(O3)C(=O)C(=O)N3CCCC[C@@H]3C(=O)O2)OC)CC[C@H]1OCCO,"InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34+,35-,36-,38-,39-,40+,41+,43+,44-,45?,46+,48+,49-,53-/m0/s1",HKVAMNSJSFKALM,CYUZEOOHSA,N,Everolimus,HKVAMNSJSFKALM-CYUZEOOHSA-N
HMDB15530,480.226036766,C27H32N2O6,OC(=O)CCC(O)=O.O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1,"InChI=1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22-;/m0./s1",RXZMMZZRUPYENV,VROPFNGYSA,N,Solifenacin,RXZMMZZRUPYENV-VROPFNGYSA-N
HMDB15531,55.934942133,Fe,[Fe],InChI=1S/Fe,XEEYBQQBJWHFJM,UHFFFAOYSA,N,Iron,XEEYBQQBJWHFJM-UHFFFAOYSA-N
HMDB15532,63.929146578,Zn,[Zn],InChI=1S/Zn,HCHKCACWOHOZIP,UHFFFAOYSA,N,Zinc,HCHKCACWOHOZIP-UHFFFAOYSA-N
HMDB15533,357.068032587,C18H13ClFN3O2,OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O,"InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,17,24H,3,9H2",XAXMYHMKTCNRRZ,UHFFFAOYSA,N,Cinolazepam,XAXMYHMKTCNRRZ-UHFFFAOYSA-N
HMDB15534,281.080041233,C15H11N3O3,[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1,"InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)",KJONHKAYOJNZEC,UHFFFAOYSA,N,Nitrazepam,KJONHKAYOJNZEC-UHFFFAOYSA-N
HMDB15535,358.156242642,C16H26N2O5S,N[C@@H](CSCCCC\C=C(/NC(=O)[C@H]1CC1(C)C)C(=O)O)C(=O)O,"InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1",DHSUYTOATWAVLW,WFVMDLQDSA,N,Cilastatin,DHSUYTOATWAVLW-WFVMDLQDSA-N
HMDB15536,299.093976737,C12H17N3O4S,[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,"InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1",ZSKVGTPCRGIANV,ZXFLCMHBSA,N,Imipenem,ZSKVGTPCRGIANV-ZXFLCMHBSA-N
HMDB15537,516.30957216,C31H48O2S2,CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3",FYPMFJGVHOHGLL,UHFFFAOYSA,N,Probucol,FYPMFJGVHOHGLL-UHFFFAOYSA-N
HMDB15538,260.05071494,C14H12O3S,CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1,"InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)",GUHPRPJDBZHYCJ,UHFFFAOYSA,N,Tiaprofenic acid,GUHPRPJDBZHYCJ-UHFFFAOYSA-N
HMDB15539,628.362470666,C37H48N4O5,CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1,"InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1",KJHKTHWMRKYKJE,SUGCFTRWSA,N,Lopinavir,KJHKTHWMRKYKJE-SUGCFTRWSA-N
HMDB15540,465.156970923,C21H27N3O7S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OC(C)OC(=O)OCC,"InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14-,15+,18-/m1/s1",PFOLLRNADZZWEX,FFGRCDKISA,N,Bacampicillin,PFOLLRNADZZWEX-FFGRCDKISA-N
HMDB15541,380.104207072,C17H20N2O6S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OC)C=CC=C1OC)C(O)=O,"InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1",RJQXTJLFIWVMTO,TYNCELHUSA,N,Meticillin,RJQXTJLFIWVMTO-TYNCELHUSA-N
HMDB15542,463.177706365,C22H29N3O6S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)C(C)(C)C,"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1",ZEMIJUDPLILVNQ,ZXFNITATSA,N,Pivampicillin,ZEMIJUDPLILVNQ-ZXFNITATSA-N
HMDB15543,439.214091871,C21H33N3O5S,[H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S[C@]12[H])N1CCCCCC1,"InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/t14-,15+,17-/m1/s1",NPGNOVNWUSPMDP,HLLBOEOZSA,N,Pivmecillinam,NPGNOVNWUSPMDP-HLLBOEOZSA-N
HMDB15544,300.052840204,C10H12N4O5S,[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CN1C=CN=N1)S2(=O)=O,"InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1",LPQZKKCYTLCDGQ,WEDXCCLWSA,N,Tazobactam,LPQZKKCYTLCDGQ-WEDXCCLWSA-N
HMDB15545,384.044977634,C15H16N2O6S2,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C(O)=O)C1=CSC=C1)C(O)=O,"InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1",OHKOGUYZJXTSFX,KZFFXBSXSA,N,Ticarcillin,OHKOGUYZJXTSFX-KZFFXBSXSA-N
HMDB15546,365.156183063,C21H23N3OS,OC1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C#N)CC1,"InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2",LUALIOATIOESLM,UHFFFAOYSA,N,Propericiazine,LUALIOATIOESLM-UHFFFAOYSA-N
HMDB15547,373.106255983,C21H15N3O4,OC(=O)C1=CC=C(C=C1)N1N=C(N=C1C1=CC=CC=C1O)C1=CC=CC=C1O,"InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)",BOFQWVMAQOTZIW,UHFFFAOYSA,N,Deferasirox,BOFQWVMAQOTZIW-UHFFFAOYSA-N
HMDB15548,354.165167844,C14H22N6O5,CC(C)[C@H](N)C(=O)OCC(CO)OCN1C=NC2=C1NC(N)=NC2=O,"InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1",WPVFJKSGQUFQAP,GKAPJAKFSA,N,Valganciclovir,WPVFJKSGQUFQAP-GKAPJAKFSA-N
HMDB15549,335.176440176,C18H26ClN3O,CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1,"InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)",XXSMGPRMXLTPCZ,UHFFFAOYSA,N,Hydroxychloroquine,XXSMGPRMXLTPCZ-UHFFFAOYSA-N
HMDB15550,117.078978601,C5H11NO2,CCCCCON=O,"InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3",CSDTZUBPSYWZDX,UHFFFAOYSA,N,Amyl Nitrite,CSDTZUBPSYWZDX-UHFFFAOYSA-N
HMDB15551,301.998221676,C4H6N4O12,[O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O,"InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2/t3-,4+",SNFOERUNNSHUGP,ZXZARUISSA,N,Erythrityl Tetranitrate,SNFOERUNNSHUGP-ZXZARUISSA-N
HMDB15552,326.145284026,C19H22N2OS,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O,"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3",NOSIYYJFMPDDSA,UHFFFAOYSA,N,Acepromazine,NOSIYYJFMPDDSA-UHFFFAOYSA-N
HMDB15553,326.145284026,C19H22N2OS,CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O)N(C)C,"InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3",XLOQNFNTQIRSOX,UHFFFAOYSA,N,Aceprometazine,XLOQNFNTQIRSOX-UHFFFAOYSA-N
HMDB15554,281.214349869,C20H27N,CCN(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1,"InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3",ZPFXAOWNKLFJDN,UHFFFAOYSA,N,Alverine,ZPFXAOWNKLFJDN-UHFFFAOYSA-N
HMDB15555,276.183778022,C16H24N2O2,CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2,"InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3",KLPWJLBORRMFGK,UHFFFAOYSA,N,Molindone,KLPWJLBORRMFGK-UHFFFAOYSA-N
HMDB15556,261.151749613,C19H19N,CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1,"InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3",ISFHAYSTHMVOJR,UHFFFAOYSA,N,Phenindamine,ISFHAYSTHMVOJR-UHFFFAOYSA-N
HMDB15557,240.16264865,C16H20N2,CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=N1,"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3",IJHNSHDBIRRJRN,UHFFFAOYSA,N,Pheniramine,IJHNSHDBIRRJRN-UHFFFAOYSA-N
HMDB15558,475.196333317,C24H33N3O3S2,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCC(CCO)CC2)C=C1,"InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3",JOMHSQGEWSNUKU,UHFFFAOYSA,N,Pipotiazine,JOMHSQGEWSNUKU-UHFFFAOYSA-N
HMDB15559,446.181017604,C22H30N4O2S2,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1,"InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3",VZYCZNZBPPHOFY,UHFFFAOYSA,N,Thioproperazine,VZYCZNZBPPHOFY-UHFFFAOYSA-N
HMDB15560,443.170118567,C23H29N3O2S2,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C\CCN2CCN(C)CC2)C=C1,"InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-",GFBKORZTTCHDGY,UWVJOHFNSA,N,Thiothixene,GFBKORZTTCHDGY-UWVJOHFNSA-N
HMDB15561,400.137611829,C22H25ClN2OS,OCCN1CCN(CC\C=C2\C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-",WFPIAZLQTJBIFN,DVZOWYKESA,N,Zuclopenthixol,WFPIAZLQTJBIFN-DVZOWYKESA-N
HMDB15562,353.259288688,C23H33N2O,CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C,"InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1",JTPUMZTWMWIVPA,UHFFFAOYSA,O,Isopropamide,JTPUMZTWMWIVPA-UHFFFAOYSA-O
HMDB15563,159.104799421,C11H13N,CN(CC#C)CC1=CC=CC=C1,"InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3",DPWPWRLQFGFJFI,UHFFFAOYSA,N,Pargyline,DPWPWRLQFGFJFI-UHFFFAOYSA-N
HMDB15564,406.21375752,C18H34N2O6S,[H][C@@]1(O[C@]([H])([C@H](NC(=O)C2C[C@@H](CCC)CN2C)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O)SC,"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11?,12-,13+,14-,15-,16-,18-/m1/s1",OJMMVQQUTAEWLP,ISVUEQNNSA,N,Lincomycin,OJMMVQQUTAEWLP-ISVUEQNNSA-N
HMDB15565,358.054276131,C18H15ClN2O2S,CC1=NC=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3",MNJVRJDLRVPLFE,UHFFFAOYSA,N,Etoricoxib,MNJVRJDLRVPLFE-UHFFFAOYSA-N
HMDB15566,690.329849908,C34H50N4O9S,CCN(CC)CCS(=O)(=O)[C@]1([H])CCN2C(=O)C3=COC(=N3)CC(=O)C[C@H](O)\C=C(\C)/C=C\CNC(=O)\C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)C12,"InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9-,12-11-,23-18-/t24-,25-,28-,31?,32-/m1/s1",SUYRLXYYZQTJHF,FUODUHIRSA,N,Dalfopristin,SUYRLXYYZQTJHF-FUODUHIRSA-N
HMDB15567,412.297745146,C27H40O3,O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1,"InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1",LWQQLNNNIPYSNX,UROSTWAQSA,N,Calcipotriol,LWQQLNNNIPYSNX-UROSTWAQSA-N
HMDB15568,264.147392516,C14H20N2O3,ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1,"InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)",WAEXFXRVDQXREF,UHFFFAOYSA,N,Vorinostat,WAEXFXRVDQXREF-UHFFFAOYSA-N
HMDB15569,1226.496097158,C52H74N16O15S2,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,"InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1",BENFXAYNYRLAIU,QSVFAHTRSA,N,Terlipressin,BENFXAYNYRLAIU-QSVFAHTRSA-N
HMDB15570,516.345089268,C31H48O6,O[C@@H]1CC[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@]2([H])[C@H](O)C[C@@]2([H])\C([C@@H](OC(=O)C)C[C@]32C)=C(/CCC=C(C)C)C(O)=O)[C@@H]1C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",IECPWNUMDGFDKC,MZJAQBGESA,N,Fusidic Acid,IECPWNUMDGFDKC-MZJAQBGESA-N
HMDB15571,220.08479226,C11H12N2O3,N[C@@H](CC1=CNC2=C1C=C(O)C=C2)C(O)=O,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1",LDCYZAJDBXYCGN,VIFPVBQESA,N,Oxitriptan,LDCYZAJDBXYCGN-VIFPVBQESA-N
HMDB15573,282.061612157,C13H9F3N2O2,OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)N=CC=C1,"InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)",JZFPYUNJRRFVQU,UHFFFAOYSA,N,Niflumic Acid,JZFPYUNJRRFVQU-UHFFFAOYSA-N
HMDB15574,520.101246958,C20H20N6O9S,[H][C@]12OCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C(C(O)=O)C1=CC=C(O)C=C1)OC)C(O)=O,"InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1",JWCSIUVGFCSJCK,CAVRMKNVSA,N,Latamoxef,JWCSIUVGFCSJCK-CAVRMKNVSA-N
HMDB15575,228.07864425,C14H12O3,CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1,"InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3",FMHHVULEAZTJMA,UHFFFAOYSA,N,Trioxsalen,FMHHVULEAZTJMA-UHFFFAOYSA-N
HMDB15576,189.048954601,C6H12N3PS,S=P(N1CC1)(N1CC1)N1CC1,"InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2",FOCVUCIESVLUNU,UHFFFAOYSA,N,Thiotepa,FOCVUCIESVLUNU-UHFFFAOYSA-N
HMDB15579,364.240230268,C25H32O2,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1CCCC1)C=C3,"InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1",PWZUUYSISTUNDW,VAFBSOEGSA,N,Quinestrol,PWZUUYSISTUNDW-VAFBSOEGSA-N
HMDB15581,1139.51199671,C20H14I6N2O6,OC(=O)C1=C(I)C(NC(=O)CCCCC(=O)NC2=C(I)C=C(I)C(C(O)=O)=C2I)=C(I)C=C1I,"InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)",FFINMCNLQNTKLU,UHFFFAOYSA,N,Iodipamide,FFINMCNLQNTKLU-UHFFFAOYSA-N
HMDB15582,1296.046905756,C51H40N6O23S6,CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O,"InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)",FIAFUQMPZJWCLV,UHFFFAOYSA,N,Suramin,FIAFUQMPZJWCLV-UHFFFAOYSA-N
HMDB15583,310.146998586,C22H18N2,C1=CN(C=N1)C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H",OCAPBUJLXMYKEJ,UHFFFAOYSA,N,Bifonazole,OCAPBUJLXMYKEJ-UHFFFAOYSA-N
HMDB15584,513.327917369,C29H41F2N5O,[H][C@]12CC[C@]([H])(CC(C1)N1C(C)=NN=C1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)C1=CC=CC=C1,"InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1",GSNHKUDZZFZSJB,HLMSNRGBSA,N,Maraviroc,GSNHKUDZZFZSJB-HLMSNRGBSA-N
HMDB15585,289.123341974,C17H20ClNO,CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl,"InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3",WRCHFMBCVFFYEQ,UHFFFAOYSA,N,Chlophedianol,WRCHFMBCVFFYEQ-UHFFFAOYSA-N
HMDB15586,276.172544634,C17H24O3,CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1,"InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3",WZHCOOQXZCIUNC,UHFFFAOYSA,N,Cyclandelate,WZHCOOQXZCIUNC-UHFFFAOYSA-N
HMDB15587,374.164872437,C22H27ClO3,[H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@]12[H],"InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1",DUSHUSLJJMDGTE,ZJPMUUANSA,N,Cyproterone,DUSHUSLJJMDGTE-ZJPMUUANSA-N
HMDB15589,404.206405252,C26H26F2N2,FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1,"InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+",SMANXXCATUTDDT,QPJJXVBHSA,N,Flunarizine,SMANXXCATUTDDT-QPJJXVBHSA-N
HMDB15590,475.243519039,C29H31F2N3O,FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1,"InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)",QOYHHIBFXOOADH,UHFFFAOYSA,N,Fluspirilene,QOYHHIBFXOOADH-UHFFFAOYSA-N
HMDB15591,340.191268703,C21H26NO3,C[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1",GKNPSSNBBWDAGH,UHFFFAOYSA,N,Mepenzolate,GKNPSSNBBWDAGH-UHFFFAOYSA-N
HMDB15592,317.199093735,C19H27NO3,COC1=C(OC)C=C2C3CC(=O)C(CC(C)C)CN3CCC2=C1,"InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3",MKJIEFSOBYUXJB,UHFFFAOYSA,N,Tetrabenazine,MKJIEFSOBYUXJB-UHFFFAOYSA-N
HMDB15593,506.281443154,C27H42N2O5S,C[C@H]1CCC[C@@]2(C)O[C@@]2([H])C[C@H](NC(=O)C[C@@H](O)C(C)(C)C(=O)[C@@H](C)[C@H]1O)C(\C)=C\C1=CSC(C)=N1,"InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17-,20-,21+,22-,24-,27+/m0/s1",FABUFPQFXZVHFB,CFWQTKTJSA,N,Ixabepilone,FABUFPQFXZVHFB-CFWQTKTJSA-N
HMDB15594,405.175164703,C22H25F2NO4,OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2,"InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2",KOHIRBRYDXPAMZ,UHFFFAOYSA,N,Nebivolol,KOHIRBRYDXPAMZ-UHFFFAOYSA-N
HMDB15595,529.183792976,C28H22F3N7O,CC1=CN(C=N1)C1=CC(=CC(NC(=O)C2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)=C1)C(F)(F)F,"InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)",HHZIURLSWUIHRB,UHFFFAOYSA,N,Nilotinib,HHZIURLSWUIHRB-UHFFFAOYSA-N
HMDB15596,303.194677059,C17H25N3O2,OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N,"InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1",SYOKIDBDQMKNDQ,XWTIBIIYSA,N,Vildagliptin,SYOKIDBDQMKNDQ-XWTIBIIYSA-N
HMDB15597,704.393770794,C43H52N4O5,[H][C@@]12C[C@H](CC)[C@]3([H])N(C1)CCC1=C(NC4=CC(=C(OC)C=C14)[C@@]1([H])C[C@]4([H])C(C(=O)OC)[C@@]([H])(CC5=C1NC1=CC=CC=C51)N(C)C\C4=C\C)[C@@]3(C2)C(=O)OC,"InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28-,31+,35+,37?,40-,43+/m0/s1",VCMIRXRRQJNZJT,XRMSBCOFSA,N,Voacamine,VCMIRXRRQJNZJT-XRMSBCOFSA-N
HMDB15598,267.131802031,C10H21NO7,OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1",FZNCGRZWXLXZSZ,CIQUZCHMSA,N,Voglibose,FZNCGRZWXLXZSZ-CIQUZCHMSA-N
HMDB15599,248.061948328,C12H12N2O2S,CSC1=CC=C(C=C1)C(=O)C1=C(C)NC(=O)N1,"InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)",ZJKNESGOIKRXQY,UHFFFAOYSA,N,Enoximone,ZJKNESGOIKRXQY-UHFFFAOYSA-N
HMDB15600,388.155370383,C21H25ClN2O3,OC(=O)CCCN1CCC(CC1)OC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,"InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)",YWGDOWXRIALTES,UHFFFAOYSA,N,Bepotastine,YWGDOWXRIALTES-UHFFFAOYSA-N
HMDB15601,1130.483013278,C57H70N12O9S2,CC(C)C1NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(CC1=CC2=CC=CC=C2N1)C(N)=O)NC(=O)C(N)CC1=CC=CC=C1,"InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)28-37-26-35-14-6-8-16-41(35)62-37)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-38(70)22-20-34)53(74)66-46(27-36-29-61-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,26,29,32,40,43-49,61-62,70H,10-11,18,23-25,27-28,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)",GAWXLRUZZFSQON,UHFFFAOYSA,N,Vapreotide,GAWXLRUZZFSQON-UHFFFAOYSA-N
HMDB15602,246.173213336,C15H22N2O,CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C1=CC=CC=C1,"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1",GJJFMKBJSRMPLA,HIFRSBDPSA,N,Milnacipran,GJJFMKBJSRMPLA-HIFRSBDPSA-N
HMDB15603,473.263819255,C24H35N5O5,CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCC1=CC=C(C=C1)C(\N)=N\O)C1CCCCC1,"InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1",ZXIBCJHYVWYIKI,PZJWPPBQSA,N,Ximelagatran,ZXIBCJHYVWYIKI-PZJWPPBQSA-N
HMDB15604,390.07894992,C21H20Cl2O3,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1,"InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",RLLPVAHGXHCWKJ,UHFFFAOYSA,N,Permethrin,RLLPVAHGXHCWKJ-UHFFFAOYSA-N
HMDB15605,351.183443671,C22H25NO3,CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2,"InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)",MUTNCGKQJGXKEM,UHFFFAOYSA,N,Tamibarotene,MUTNCGKQJGXKEM-UHFFFAOYSA-N
HMDB15606,258.03266843,C11H12Cl2N2O,CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1,"InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)",KSMAGQUYOIHWFS,UHFFFAOYSA,N,Lofexidine,KSMAGQUYOIHWFS-UHFFFAOYSA-N
HMDB15607,340.16093409,C20H24N2OS,CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1,"InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3",FBQPGGIHOFZRGH,UHFFFAOYSA,N,Lucanthone,FBQPGGIHOFZRGH-UHFFFAOYSA-N
HMDB15608,392.209992772,C24H28N2O3,CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1,"InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1",QZZUEBNBZAPZLX,QFIPXVFZSA,N,Indacaterol,QZZUEBNBZAPZLX-QFIPXVFZSA-N
HMDB15609,761.261829923,C39H43N3O11S,[H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4C=C(OC)C(O)=C5)C(=O)OC[C@H](N1[C@@H](O)[C@@H]1CC4=CC(C)=C(OC)C(O)=C4[C@H]2N1C)C1=C2OCOC2=C(C)C(OC(C)=O)=C31,"InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1",PKVRCIRHQMSYJX,AIFWHQITSA,N,Trabectedin,PKVRCIRHQMSYJX-AIFWHQITSA-N
HMDB15610,355.949714262,C10H9AgN4O2S,[Ag+].NC1=CC=C(C=C1)S(=O)(=O)[N-]C1=NC=CC=N1,"InChI=1S/C10H9N4O2S.Ag/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1",UEJSSZHHYBHCEL,UHFFFAOYSA,N,Silver sulfadiazine,UEJSSZHHYBHCEL-UHFFFAOYSA-N
HMDB15611,203.094628665,C12H13NO2,CN1C(=O)CC(C)(C1=O)C1=CC=CC=C1,"InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3",AJXPJJZHWIXJCJ,UHFFFAOYSA,N,Methsuximide,AJXPJJZHWIXJCJ-UHFFFAOYSA-N
HMDB15612,254.889034525,GaN3O9,[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O,InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1,CHPZKNULDCNCBW,UHFFFAOYSA,N,Gallium nitrate,CHPZKNULDCNCBW-UHFFFAOYSA-N
HMDB15613,380.165744696,C20H28O5S,[H][C@@]12CCC3=CC(C(C)C)=C(C=C3[C@@]1(C)CCC[C@@]2(C)C(O)=O)S(O)(=O)=O,"InChI=1S/C20H28O5S/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25)/t17-,19-,20-/m1/s1",IWCWQNVIUXZOMJ,MISYRCLQSA,N,Ecabet,IWCWQNVIUXZOMJ-MISYRCLQSA-N
HMDB15614,230.141913208,C14H18N2O,CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C,"InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3",ZJVFLBOZORBYFE,UHFFFAOYSA,N,Ibudilast,ZJVFLBOZORBYFE-UHFFFAOYSA-N
HMDB15615,315.165685117,C19H25NOS,CCCN(CCC1=CC=CS1)C1CCC2=C(C1)C=CC=C2O,"InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3",KFQYTPMOWPVWEJ,UHFFFAOYSA,N,Rotigotine,KFQYTPMOWPVWEJ-UHFFFAOYSA-N
HMDB15616,679.405732463,C36H53N7O6,[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1,"InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1",BBAWEDCPNXPBQM,GDEBMMAJSA,N,Telaprevir,BBAWEDCPNXPBQM-GDEBMMAJSA-N
HMDB15617,905.918601405,C12H35Na3O26Sb2,O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[H][C@@]1(O[Sb]2(O)(O[Sb]34([O-])O[C@@H](C([O-])=O)[C@@]([H])(O3)[C@]([H])(O4)[C@H](O)CO)O[C@@H](C([O-])=O)[C@@]1([H])O2)[C@H](O)CO,"InChI=1S/2C6H9O7.3Na.10H2O.2O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;/h2*2-5,7-8H,1H2,(H,12,13);;;;10*1H2;;;;/q2*-3;3*+1;;;;;;;;;;;;-1;+3;+4/p-3/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;/m11................./s1",YQDGWZZYGYKDLR,UZVLBLASSA,K,Sodium stibogluconate,YQDGWZZYGYKDLR-UZVLBLASSA-K
HMDB15618,440.177917386,C24H26ClFN4O,FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2,"InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)",GZKLJWGUPQBVJQ,UHFFFAOYSA,N,Sertindole,GZKLJWGUPQBVJQ-UHFFFAOYSA-N
HMDB15619,255.013617927,C9H9N3O2S2,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,"InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",JNMRHUJNCSQMMB,UHFFFAOYSA,N,Sulfathiazole,JNMRHUJNCSQMMB-UHFFFAOYSA-N
HMDB15620,264.16264865,C18H20N2,CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21,"InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3",UEQUQVLFIPOEMF,UHFFFAOYSA,N,Mianserin,UEQUQVLFIPOEMF-UHFFFAOYSA-N
HMDB15621,310.073575646,C12H14N4O4S,COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1,"InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",ZZORFUFYDOWNEF,UHFFFAOYSA,N,Sulfadimethoxine,ZZORFUFYDOWNEF-UHFFFAOYSA-N
HMDB15623,462.078094435,C22H21Cl3N4O,CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)",JZCPYUJPEARBJL,UHFFFAOYSA,N,Rimonabant,JZCPYUJPEARBJL-UHFFFAOYSA-N
HMDB15624,1303.660794719,C59H89N19O13S,[H][C@]12CC(N(C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CS3)NC(=O)CNC(=O)C3C[C@@H](O)CN3C(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O,"InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38?,39-,40-,41-,42-,43?,44?,45?,46?/m0/s1",QURWXBZNHXJZBE,MCDGZUPGSA,N,Icatibant,QURWXBZNHXJZBE-MCDGZUPGSA-N
HMDB15625,373.114792406,C20H20FNO3S,CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1,"InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3",DTGLZDAWLRGWQN,UHFFFAOYSA,N,Prasugrel,DTGLZDAWLRGWQN-UHFFFAOYSA-N
HMDB15627,213.063722467,C9H11NO5,N[C@H]([C@@H](O)C1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m1/s1",QXWYKJLNLSIPIN,SFYZADRCSA,N,Droxidopa,QXWYKJLNLSIPIN-SFYZADRCSA-N
HMDB15628,516.25187436,C25H36N6O4S,CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC1CCCN1C)C1=NC(=O)C2=C(N1)C(CCC)=NN2C,"InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)",IYFNEFQTYQPVOC,UHFFFAOYSA,N,Udenafil,IYFNEFQTYQPVOC-UHFFFAOYSA-N
HMDB15629,454.006005309,C18H15ClN2O6S2,CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl,"InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3",PHWXUGHIIBDVKD,UHFFFAOYSA,N,Sitaxentan,PHWXUGHIIBDVKD-UHFFFAOYSA-N
HMDB15631,424.236207522,C25H32N2O4,C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C1=CC(O)=CC=C1,"InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1",UPNUIXSCZBYVBB,JVFUWBCBSA,N,Alvimopan,UPNUIXSCZBYVBB-JVFUWBCBSA-N
HMDB15632,1029.602485741,C56H87NO16,OCC(C)(CO)C(=O)O[C@@H]1CC[C@@H](C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](OC)C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC,"InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1",CBPNZQVSJQDFBE,FUXHJELOSA,N,Temsirolimus,CBPNZQVSJQDFBE-FUXHJELOSA-N
HMDB15633,369.172227057,C17H27N3O4S,CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC,"InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)",NTJOBXMMWNYJFB,UHFFFAOYSA,N,Amisulpride,NTJOBXMMWNYJFB-UHFFFAOYSA-N
HMDB15634,315.194677059,C18H25N3O2,N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2,"InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1",QGJUIPDUBHWZPV,SGTAVMJGSA,N,Saxagliptin,QGJUIPDUBHWZPV-SGTAVMJGSA-N
HMDB15636,243.125928793,C15H17NO2,COC1=CC2=C(C=CC=C2CCNC(C)=O)C=C1,"InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)",YJYPHIXNFHFHND,UHFFFAOYSA,N,Agomelatine,YJYPHIXNFHFHND-UHFFFAOYSA-N
HMDB15637,441.216475133,C26H27N5O2,NC(=O)C1=CC2=C(O1)C=CC(=C2)N1CCN(CCCCC2=CNC3=C2C=C(C=C3)C#N)CC1,"InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)",SGEGOXDYSFKCPT,UHFFFAOYSA,N,Vilazodone,SGEGOXDYSFKCPT-UHFFFAOYSA-N
HMDB15638,343.308644183,C20H41NO3,NCCO.CCCCCCCC\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;",KGWDUNBJIMUFAP,KVVVOXFISA,N,Ethanolamine Oleate,KGWDUNBJIMUFAP-KVVVOXFISA-N
HMDB15639,285.184112373,C17H23N3O,COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1,"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3",YECBIJXISLIIDS,UHFFFAOYSA,N,Mepyramine,YECBIJXISLIIDS-UHFFFAOYSA-N
HMDB15640,244.193948778,C16H24N2,CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C,"InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)",HUCJFAOMUPXHDK,UHFFFAOYSA,N,Xylometazoline,HUCJFAOMUPXHDK-UHFFFAOYSA-N
HMDB15641,627.316917457,C34H41N7O5,CCCCCCOC(=O)N=C(N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C3=CC=CC=N3)N2C)C=C1,"InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)",KSGXQBZTULBEEQ,UHFFFAOYSA,N,Dabigatran etexilate,KSGXQBZTULBEEQ-UHFFFAOYSA-N
HMDB15642,552.311891658,C22H44N6O10,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,"InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1",MKKYBZZTJQGVCD,XTCKQBCOSA,N,Arbekacin,MKKYBZZTJQGVCD-XTCKQBCOSA-N
HMDB15643,298.178023942,C16H26O5,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC)[C@@H]2C)O4,"InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1",SXYIRMFQILZOAM,HVNFFKDJSA,N,Artemether,SXYIRMFQILZOAM-HVNFFKDJSA-N
HMDB15644,136.100048394,C8H12N2,CNCCC1=CC=CC=N1,"InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3",UUQMNUMQCIQDMZ,UHFFFAOYSA,N,Betahistine,UUQMNUMQCIQDMZ-UHFFFAOYSA-N
HMDB15645,1630.748797045,C82H103ClN18O16,CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(=O)[C@H]2CC(=O)NC(=O)N2)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCCC1C(=O)N[C@H](C)C(N)=O,"InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66-,67+,68?/m1/s1",MEUCPCLKGZSHTA,RHCWOGDZSA,N,Degarelix,MEUCPCLKGZSHTA-RHCWOGDZSA-N
HMDB15646,263.188529049,C16H25NO2,CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1,"InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3",KYYIDSXMWOZKMP,UHFFFAOYSA,N,Desvenlafaxine,KYYIDSXMWOZKMP-UHFFFAOYSA-N
HMDB15647,233.141578857,C14H19NO2,COC(=O)[C@@H]([C@H]1CCCCN1)C1=CC=CC=C1,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1",DUGOZIWVEXMGBE,CHWSQXEVSA,N,Dexmethylphenidate,DUGOZIWVEXMGBE-CHWSQXEVSA-N
HMDB15648,411.277344055,C26H37NO3,CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C,"InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1",DCCSDBARQIPTGU,HSZRJFAPSA,N,Fesoterodine,DCCSDBARQIPTGU-HSZRJFAPSA-N
HMDB15649,605.133204143,C18H31GdN4O9,[Gd+3].OCC(O)C(CO)N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1,"InChI=1S/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3",ZPDFIIGFYAHNSK,UHFFFAOYSA,K,Gadobutrol,ZPDFIIGFYAHNSK-UHFFFAOYSA-K
HMDB15650,976.113113695,C33H40GdN3Na3O15P,O.[Na+].[Na+].[Na+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC(COP([O-])(=O)OC1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1)N(CC([O-])=O)CC([O-])=O,"InChI=1S/C33H44N3O14P.Gd.3Na.H2O/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;;;;;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);;;;;1H2/q;+3;3*+1;/p-6",PIZALBORPSCYJU,UHFFFAOYSA,H,Gadofosveset trisodium,PIZALBORPSCYJU-UHFFFAOYSA-H
HMDB15651,141.151749613,C9H19N,CNC(C)CCC=C(C)C,"InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3",XVQUOJBERHHONY,UHFFFAOYSA,N,Isometheptene,XVQUOJBERHHONY-UHFFFAOYSA-N
HMDB15652,183.089543287,C9H13NO3,C[C@H](N)[C@H](O)C1=CC(O)=C(O)C=C1,"InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1",GEFQWZLICWMTKF,CDUCUWFYSA,N,Levonordefrin,GEFQWZLICWMTKF-CDUCUWFYSA-N
HMDB15653,527.154947772,C30H32Cl3NO,CCCCN(CCCC)CC(O)C1=C2C(=CC(Cl)=C1)\C(=C/C1=CC=C(Cl)C=C1)C1=C2C=CC(Cl)=C1,"InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-",DYLGFOYVTXJFJP,MYYYXRDXSA,N,Lumefantrine,DYLGFOYVTXJFJP-MYYYXRDXSA-N
HMDB15654,160.133753825,C8H18NO2,CC(C[N+](C)(C)C)OC(C)=O,"InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1",NZWOPGCLSHLLPA,UHFFFAOYSA,N,Methacholine,NZWOPGCLSHLLPA-UHFFFAOYSA-N
HMDB15655,302.224580204,C20H30O2,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",GCKMFJBGXUYNAG,HLXURNFRSA,N,Methyltestosterone,GCKMFJBGXUYNAG-HLXURNFRSA-N
HMDB15656,210.115698458,C14H14N2,C(C1=NCCN1)C1=CC=CC2=CC=CC=C12,"InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)",CNIIGCLFLJGOGP,UHFFFAOYSA,N,Naphazoline,CNIIGCLFLJGOGP-UHFFFAOYSA-N
HMDB15657,385.127385355,C19H19N3O6,COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N,"InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3",FAIIFDPAEUKBEP,UHFFFAOYSA,N,Nilvadipine,FAIIFDPAEUKBEP-UHFFFAOYSA-N
HMDB15658,327.219829177,C21H29NO2,CCC12CCC3C(CCC4=CC(CCC34)=NO)C1CCC2(O)C#C,"InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3",ISHXLNHNDMZNMC,UHFFFAOYSA,N,Norelgestromin,ISHXLNHNDMZNMC-UHFFFAOYSA-N
HMDB15659,155.167399677,C10H21N,CNC(C)CC1CCCCC1,"InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3",JCRIVQIOJSSCQD,UHFFFAOYSA,N,Propylhexedrine,JCRIVQIOJSSCQD-UHFFFAOYSA-N
HMDB15661,332.07654958,C13H19Na2O5P,[Na+].[Na+].CC(C)C1=CC=CC(C(C)C)=C1OCOP([O-])([O-])=O,"InChI=1S/C13H21O5P.2Na/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16;;/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16);;/q;2*+1/p-2",LWYLQNWMSGFCOZ,UHFFFAOYSA,L,Fospropofol,LWYLQNWMSGFCOZ-UHFFFAOYSA-L
HMDB15662,614.116518403,C23H22F7N4O6P,C[C@@H](O[C@H]1OCCN(CC2=NC(=O)N(N2)P(O)(O)=O)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1",BARDROPHSZEBKC,OITMNORJSA,N,Fosaprepitant,BARDROPHSZEBKC-OITMNORJSA-N
HMDB15666,370.98012491,C13H10ClN3O4S2,CN1\C(=C(\O)NC2=CC=CC=N2)C(=O)C2=C(C=C(Cl)S2)S1(=O)=O,"InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,19H,1H3,(H,15,16)/b13-10+",OXROWJKCGCOJDO,JLHYYAGUSA,N,Lornoxicam,OXROWJKCGCOJDO-JLHYYAGUSA-N
HMDB15667,314.083746402,C15H14N4O2S,NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1,"InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2",QWCJHSGMANYXCW,UHFFFAOYSA,N,Sulfaphenazole,QWCJHSGMANYXCW-UHFFFAOYSA-N
HMDB15668,310.193280076,C21H26O2,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C,"InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",SIGSPDASOTUPFS,XUDSTZEESA,N,Gestodene,SIGSPDASOTUPFS-XUDSTZEESA-N
HMDB15669,397.225308485,C24H31NO4,CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1,"InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3/b20-13-",OMFNSKIUKYOYRG,MOSHPQCFSA,N,Drotaverine,OMFNSKIUKYOYRG-MOSHPQCFSA-N
HMDB15670,307.168462309,C19H21N3O,CN1CCC(CC1)=C1C2=NC=C(C=O)N2CCC2=CC=CC=C12,"InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3",MWTBKTRZPHJQLH,UHFFFAOYSA,N,Alcaftadine,MWTBKTRZPHJQLH-UHFFFAOYSA-N
HMDB15671,107.058243159,C3H9NO3,[NH4+].CC(O)C([O-])=O,"InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3",RZOBLYBZQXQGFY,UHFFFAOYSA,N,Ammonium lactate,RZOBLYBZQXQGFY-UHFFFAOYSA-N
HMDB15672,835.377905537,C45H57NO14,[H][C@@](O)([C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1)C(=O)O[C@@]1([H])C[C@@]2(O)[C@@]([H])(OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@]4([H])C[C@]([H])(OC)[C@@]3(C)C(=O)[C@]([H])(OC)C(=C1C)C2(C)C)OC(C)=O,"InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1",BMQGVNUXMIRLCK,OAGWZNDDSA,N,Cabazitaxel,BMQGVNUXMIRLCK-OAGWZNDDSA-N
HMDB15673,190.05897144,C6H10N2O5,NC(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1",LCQLHJZYVOQKHU,VKHMYHEASA,N,Carglumic acid,LCQLHJZYVOQKHU-VKHMYHEASA-N
HMDB15676,508.227259852,C27H34F2O7,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1",WYQPLTPSGFELIB,JTQPXKBDSA,N,Difluprednate,WYQPLTPSGFELIB-JTQPXKBDSA-N
HMDB15677,124.001656258,C3H8OS2,OCC(S)CS,"InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2",WQABCVAJNWAXTE,UHFFFAOYSA,N,Dimercaprol,WQABCVAJNWAXTE-UHFFFAOYSA-N
HMDB15678,254.105527702,C15H14N2O2,NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N,"InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)",QEFAQIPZVLVERP,UHFFFAOYSA,N,Nepafenac,QEFAQIPZVLVERP-UHFFFAOYSA-N
HMDB15679,325.986112168,C13H8Cl2N2O4,OC1=C(C=C(Cl)C=C1)C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O,"InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)",RJMUSRYZPJIFPJ,UHFFFAOYSA,N,Niclosamide,RJMUSRYZPJIFPJ-UHFFFAOYSA-N
HMDB15680,616.41864814,C33H60O10,CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1,"InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3",FBWNMEQMRUMQSO,UHFFFAOYSA,N,Nonoxynol-9,FBWNMEQMRUMQSO-UHFFFAOYSA-N
HMDB15681,502.447143768,C28H54N8,C(N1CCCNCCNCCCNCC1)C1=CC=C(CN2CCCNCCNCCCNCC2)C=C1,"InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2",YIQPUIGJQJDJOS,UHFFFAOYSA,N,Plerixafor,YIQPUIGJQJDJOS-UHFFFAOYSA-N
HMDB15682,1084.47265336,C52H76O24,CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(=O)[C@@H](O)[C@@H](C)O,"InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1",CFCUWKMKBJTWLW,BKHRDMLASA,N,Plicamycin,CFCUWKMKBJTWLW-BKHRDMLASA-N
HMDB15684,327.006513259,C14H11Cl2NO4,CN(C(=O)C(Cl)Cl)C1=CC=C(OC(=O)C2=CC=CO2)C=C1,"InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3",BDYYDXJSHYEDGB,UHFFFAOYSA,N,Diloxanide,BDYYDXJSHYEDGB-UHFFFAOYSA-N
HMDB15685,375.100124747,C16H17N5O4S,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=[N+]=[N-])C1=CC=CC=C1)C(O)=O,"InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14-/m1/s1",ODFHGIPNGIAMDK,NJBDSQKTSA,N,Azidocillin,ODFHGIPNGIAMDK-NJBDSQKTSA-N
HMDB15686,399.161662371,C21H25N3O3S,O=C(OCCOCCN1CCCCC1)N1C2=CC=CC=C2SC2=C1N=CC=C2,"InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2",DTVJXCOMJLLMAK,UHFFFAOYSA,N,Pipazethate,DTVJXCOMJLLMAK-UHFFFAOYSA-N
HMDB15687,137.047678473,C7H7NO2,NC(=O)C1=CC=CC=C1O,"InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)",SKZKKFZAGNVIMN,UHFFFAOYSA,N,Salicylamide,SKZKKFZAGNVIMN-UHFFFAOYSA-N
HMDB15688,267.067761987,C11H13N3O3S,CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1,"InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)",CYFLXLSBHQBMFT,UHFFFAOYSA,N,Sulfamoxole,CYFLXLSBHQBMFT-UHFFFAOYSA-N
HMDB15689,265.157897623,C17H19N3,C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1,"InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)",REYFJDPCWQRWAA,UHFFFAOYSA,N,Antazoline,REYFJDPCWQRWAA-UHFFFAOYSA-N
HMDB15690,289.134575362,C16H20ClN3,CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1,"InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3",ICKFFNBDFNZJSX,UHFFFAOYSA,N,Chloropyramine,ICKFFNBDFNZJSX-UHFFFAOYSA-N
HMDB15691,292.193948778,C20H24N2,CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1,"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3",MVMQESMQSYOVGV,UHFFFAOYSA,N,Dimethindene,MVMQESMQSYOVGV-UHFFFAOYSA-N
HMDB15692,285.129968313,C16H19N3S,CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C,"InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3",OQJBSDFFQWMKBQ,UHFFFAOYSA,N,Isothipendyl,OQJBSDFFQWMKBQ-UHFFFAOYSA-N
HMDB15693,232.157563272,C14H20N2O,CC(C)C1=C(OCC2=NCCN2)C=C(C)C=C1,"InChI=1S/C14H20N2O/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16)",QRORCRWSRPKEHR,UHFFFAOYSA,N,Tymazoline,QRORCRWSRPKEHR-UHFFFAOYSA-N
HMDB15694,428.329045274,C28H44O3,CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1",JKWKMORAXJQQSR,MOPIKTETSA,N,Nandrolone decanoate,JKWKMORAXJQQSR-MOPIKTETSA-N
HMDB15695,348.204907394,C19H28N2O4,CC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1,"InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)",SMTZFNFIKUPEJC,UHFFFAOYSA,N,Roxatidine acetate,SMTZFNFIKUPEJC-UHFFFAOYSA-N
HMDB15696,380.209992772,C23H28N2O3,CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1,"InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3",UUOJIACWOAYWEZ,UHFFFAOYSA,N,Bopindolol,UUOJIACWOAYWEZ-UHFFFAOYSA-N
HMDB15697,271.13390666,C14H22ClNO2,CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1,"InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3",HQIRNZOQPUAHHV,UHFFFAOYSA,N,Bupranolol,HQIRNZOQPUAHHV-UHFFFAOYSA-N
HMDB15698,402.226705468,C21H30N4O4,CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O,"InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)",ZDLBNXXKDMLZMF,UHFFFAOYSA,N,Cinitapride,ZDLBNXXKDMLZMF-UHFFFAOYSA-N
HMDB15699,382.18925733,C22H26N2O4,CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3",RUJBDQSFYCKFAA,UHFFFAOYSA,N,Tofisopam,RUJBDQSFYCKFAA-UHFFFAOYSA-N
HMDB15702,522.186080514,C23H28F2N6O4S,CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1,"InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1",OEKWJQXRCDYSHL,FNOIDJSQSA,N,Ticagrelor,OEKWJQXRCDYSHL-FNOIDJSQSA-N
HMDB15704,452.237430608,C25H34F2O5,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COC1=CC=CC=C1,"InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1",WSNODXPBBALQOF,VEJSHDCNSA,N,Tafluprost,WSNODXPBBALQOF-VEJSHDCNSA-N
HMDB15705,392.209992772,C24H28N2O3,CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C,"InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)",PURKAOJPTOLRMP,UHFFFAOYSA,N,Ivacaftor,PURKAOJPTOLRMP-UHFFFAOYSA-N
HMDB28680,160.08479226,C6H12N2O3,CC(N)C(O)=NC(C)C(O)=O,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)",DEFJQIDDEAULHB,UHFFFAOYSA,N,Alanyl-Alanine,DEFJQIDDEAULHB-UHFFFAOYSA-N
HMDB28681,245.148789499,C9H19N5O3,CC(N)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C9H19N5O3/c1-5(10)7(15)14-6(8(16)17)3-2-4-13-9(11)12/h5-6H,2-4,10H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13)",SITWEMZOJNKJCH,UHFFFAOYSA,N,Alanyl-Arginine,SITWEMZOJNKJCH-UHFFFAOYSA-N
HMDB28682,203.090605919,C7H13N3O4,CC(N)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C7H13N3O4/c1-3(8)6(12)10-4(7(13)14)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)",CCUAQNUWXLYFRA,UHFFFAOYSA,N,Alanyl-Asparagine,CCUAQNUWXLYFRA-UHFFFAOYSA-N
HMDB28683,204.074621504,C7H12N2O5,CC(N)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)",XAEWTDMGFGHWFK,UHFFFAOYSA,N,Alanyl-Aspartate,XAEWTDMGFGHWFK-UHFFFAOYSA-N
HMDB28684,192.05686295,C6H12N2O3S,CC(N)C(=O)NC(CS)C(O)=O,"InChI=1S/C6H12N2O3S/c1-3(7)5(9)8-4(2-12)6(10)11/h3-4,12H,2,7H2,1H3,(H,8,9)(H,10,11)",JQDFGZKKXBEANU,UHFFFAOYSA,N,Alanyl-Cysteine,JQDFGZKKXBEANU-UHFFFAOYSA-N
HMDB28685,217.106255983,C8H15N3O4,CC(N)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)",HJCMDXDYPOUFDY,UHFFFAOYSA,N,Alanyl-Glutamine,HJCMDXDYPOUFDY-UHFFFAOYSA-N
HMDB28686,217.082446536,C8H13N2O5,CC(N)C(O)=NC(CCC([O-])=O)C(O)=O,"InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/p-1",VYZAGTDAHUIRQA,UHFFFAOYSA,M,Alanyl-Glutamate,VYZAGTDAHUIRQA-UHFFFAOYSA-M
HMDB28687,146.069142196,C5H10N2O3,CC(N)C(=O)NCC(O)=O,"InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)",CXISPYVYMQWFLE,UHFFFAOYSA,N,Alanyl-Glycine,CXISPYVYMQWFLE-UHFFFAOYSA-N
HMDB28688,202.095356946,C8H14N2O4,CC(N)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C8H14N2O4/c1-4(9)7(12)10-3-5(11)2-6(10)8(13)14/h4-6,11H,2-3,9H2,1H3,(H,13,14)",KYHSUPXEBSYFGK,UHFFFAOYSA,N,Alanyl-Hydroxyproline,KYHSUPXEBSYFGK-UHFFFAOYSA-N
HMDB28689,226.106590334,C9H14N4O3,CC(N)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)",XZWXFWBHYRFLEF,UHFFFAOYSA,N,Alanyl-Histidine,XZWXFWBHYRFLEF-UHFFFAOYSA-N
HMDB28690,202.131742452,C9H18N2O3,CCC(C)C(NC(=O)C(C)N)C(O)=O,"InChI=1S/C9H18N2O3/c1-4-5(2)7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)",ZSOICJZJSRWNHX,UHFFFAOYSA,N,Alanyl-Isoleucine,ZSOICJZJSRWNHX-UHFFFAOYSA-N
HMDB28691,202.131742452,C9H18N2O3,CC(C)CC(NC(=O)C(C)N)C(O)=O,"InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)",RDIKFPRVLJLMER,UHFFFAOYSA,N,Alanyl-Leucine,RDIKFPRVLJLMER-UHFFFAOYSA-N
HMDB28692,217.142641489,C9H19N3O3,CC(N)C(=O)NC(CCCCN)C(O)=O,"InChI=1S/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)",QXRNAOYBCYVZCD,UHFFFAOYSA,N,Alanyl-Lysine,QXRNAOYBCYVZCD-UHFFFAOYSA-N
HMDB28693,220.088163078,C8H16N2O3S,CSCCC(NC(=O)C(C)N)C(O)=O,"InChI=1S/C8H16N2O3S/c1-5(9)7(11)10-6(8(12)13)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)",FSHURBQASBLAPO,UHFFFAOYSA,N,Alanyl-Methionine,FSHURBQASBLAPO-UHFFFAOYSA-N
HMDB28694,236.116092388,C12H16N2O3,CC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)",OMNVYXHOSHNURL,UHFFFAOYSA,N,Alanyl-Phenylalanine,OMNVYXHOSHNURL-UHFFFAOYSA-N
HMDB28695,186.100442324,C8H14N2O3,CC(N)C(=O)N1CCCC1C(O)=O,"InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)",WPWUFUBLGADILS,UHFFFAOYSA,N,Alanyl-Proline,WPWUFUBLGADILS-UHFFFAOYSA-N
HMDB28696,176.079706882,C6H12N2O4,CC(N)C(=O)NC(CO)C(O)=O,"InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)",IPWKGIFRRBGCJO,UHFFFAOYSA,N,Alanyl-Serine,IPWKGIFRRBGCJO-UHFFFAOYSA-N
HMDB28697,190.095356946,C7H14N2O4,CC(O)C(NC(=O)C(C)N)C(O)=O,"InChI=1S/C7H14N2O4/c1-3(8)6(11)9-5(4(2)10)7(12)13/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)",BUQICHWNXBIBOG,UHFFFAOYSA,N,Alanyl-Threonine,BUQICHWNXBIBOG-UHFFFAOYSA-N
HMDB28698,275.126991425,C14H17N3O3,CC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)",WUGMRIBZSVSJNP,UHFFFAOYSA,N,Alanyl-Tryptophan,WUGMRIBZSVSJNP-UHFFFAOYSA-N
HMDB28699,252.11100701,C12H16N2O4,CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)",ALZVPLKYDKJKQU,UHFFFAOYSA,N,Alanyl-Tyrosine,ALZVPLKYDKJKQU-UHFFFAOYSA-N
HMDB28700,188.116092388,C8H16N2O3,CC(C)C(NC(=O)C(C)N)C(O)=O,"InChI=1S/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)",LIWMQSWFLXEGMA,UHFFFAOYSA,N,Alanyl-Valine,LIWMQSWFLXEGMA-UHFFFAOYSA-N
HMDB28701,217.106255983,C8H15N3O4,CC(N)C(=O)NC(=O)CCC(N)C(O)=O,"InChI=1S/C8H15N3O4/c1-4(9)7(13)11-6(12)3-2-5(10)8(14)15/h4-5H,2-3,9-10H2,1H3,(H,14,15)(H,11,12,13)",XEMDRWVKLPUYDR,UHFFFAOYSA,N,Alanyl-Gamma-glutamate,XEMDRWVKLPUYDR-UHFFFAOYSA-N
HMDB28702,245.148789499,C9H19N5O3,CC(NC(=O)C(N)CCCNC(N)=N)C(O)=O,"InChI=1S/C9H19N5O3/c1-5(8(16)17)14-7(15)6(10)3-2-4-13-9(11)12/h5-6H,2-4,10H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13)",WVRUNFYJIHNFKD,UHFFFAOYSA,N,Arginyl-Alanine,WVRUNFYJIHNFKD-UHFFFAOYSA-N
HMDB28703,330.212786738,C12H26N8O3,NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C12H26N8O3/c13-7(3-1-5-18-11(14)15)9(21)20-8(10(22)23)4-2-6-19-12(16)17/h7-8H,1-6,13H2,(H,20,21)(H,22,23)(H4,14,15,18)(H4,16,17,19)",OMLWNBVRVJYMBQ,UHFFFAOYSA,N,Arginyl-Arginine,OMLWNBVRVJYMBQ-UHFFFAOYSA-N
HMDB28704,288.154603158,C10H20N6O4,NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C10H20N6O4/c11-5(2-1-3-15-10(13)14)8(18)16-6(9(19)20)4-7(12)17/h5-6H,1-4,11H2,(H2,12,17)(H,16,18)(H,19,20)(H4,13,14,15)",JSLGXODUIAFWCF,UHFFFAOYSA,N,Arginyl-Asparagine,JSLGXODUIAFWCF-UHFFFAOYSA-N
HMDB28705,289.138618743,C10H19N5O5,NC(CCCNC(N)=N)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)",SIFXMYAHXJGAFC,UHFFFAOYSA,N,Arginyl-Aspartate,SIFXMYAHXJGAFC-UHFFFAOYSA-N
HMDB28706,277.120860189,C9H19N5O3S,NC(CCCNC(N)=N)C(=O)NC(CS)C(O)=O,"InChI=1S/C9H19N5O3S/c10-5(2-1-3-13-9(11)12)7(15)14-6(4-18)8(16)17/h5-6,18H,1-4,10H2,(H,14,15)(H,16,17)(H4,11,12,13)",OSASDIVHOSJVII,UHFFFAOYSA,N,Arginyl-Cysteine,OSASDIVHOSJVII-UHFFFAOYSA-N
HMDB28707,302.170253222,C11H22N6O4,NC(CCCNC(N)=N)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C11H22N6O4/c12-6(2-1-5-16-11(14)15)9(19)17-7(10(20)21)3-4-8(13)18/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)",PMGDADKJMCOXHX,UHFFFAOYSA,N,Arginyl-Glutamine,PMGDADKJMCOXHX-UHFFFAOYSA-N
HMDB28708,302.146443775,C11H20N5O5,NC(CCCNC(N)=N)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C11H21N5O5/c12-6(2-1-5-15-11(13)14)9(19)16-7(10(20)21)3-4-8(17)18/h6-7H,1-5,12H2,(H,16,19)(H,17,18)(H,20,21)(H4,13,14,15)/p-1",HFKJBCPRWWGPEY,UHFFFAOYSA,M,Arginyl-Glutamate,HFKJBCPRWWGPEY-UHFFFAOYSA-M
HMDB28709,231.133139435,C8H17N5O3,NC(CCCNC(N)=N)C(=O)NCC(O)=O,"InChI=1S/C8H17N5O3/c9-5(2-1-3-12-8(10)11)7(16)13-4-6(14)15/h5H,1-4,9H2,(H,13,16)(H,14,15)(H4,10,11,12)",XUUXCWCKKCZEAW,UHFFFAOYSA,N,Arginyl-Glycine,XUUXCWCKKCZEAW-UHFFFAOYSA-N
HMDB28710,287.159354185,C11H21N5O4,NC(CCCNC(N)=N)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C11H21N5O4/c12-7(2-1-3-15-11(13)14)9(18)16-5-6(17)4-8(16)10(19)20/h6-8,17H,1-5,12H2,(H,19,20)(H4,13,14,15)",MRSWIKOMENDNCQ,UHFFFAOYSA,N,Arginyl-Hydroxyproline,MRSWIKOMENDNCQ-UHFFFAOYSA-N
HMDB28711,311.170587573,C12H21N7O3,NC(CCCNC(N)=N)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C12H21N7O3/c13-8(2-1-3-17-12(14)15)10(20)19-9(11(21)22)4-7-5-16-6-18-7/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)",BNODVYXZAAXSHW,UHFFFAOYSA,N,Arginyl-Histidine,BNODVYXZAAXSHW-UHFFFAOYSA-N
HMDB28712,287.195739691,C12H25N5O3,CCC(C)C(NC(=O)C(N)CCCNC(N)=N)C(O)=O,"InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)",QYLJIYOGHRGUIH,UHFFFAOYSA,N,Arginyl-Isoleucine,QYLJIYOGHRGUIH-UHFFFAOYSA-N
HMDB28713,287.195739691,C12H25N5O3,CC(C)CC(NC(=O)C(N)CCCNC(N)=N)C(O)=O,"InChI=1S/C12H25N5O3/c1-7(2)6-9(11(19)20)17-10(18)8(13)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)",WYBVBIHNJWOLCJ,UHFFFAOYSA,N,Arginyl-Leucine,WYBVBIHNJWOLCJ-UHFFFAOYSA-N
HMDB28714,302.206638728,C12H26N6O3,NCCCCC(NC(=O)C(N)CCCNC(N)=N)C(O)=O,"InChI=1S/C12H26N6O3/c13-6-2-1-5-9(11(20)21)18-10(19)8(14)4-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)",JQFZHHSQMKZLRU,UHFFFAOYSA,N,Arginyl-Lysine,JQFZHHSQMKZLRU-UHFFFAOYSA-N
HMDB28715,305.152160317,C11H23N5O3S,CSCCC(NC(=O)C(N)CCCNC(N)=N)C(O)=O,"InChI=1S/C11H23N5O3S/c1-20-6-4-8(10(18)19)16-9(17)7(12)3-2-5-15-11(13)14/h7-8H,2-6,12H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15)",ROWCTNFEMKOIFQ,UHFFFAOYSA,N,Arginyl-Methionine,ROWCTNFEMKOIFQ-UHFFFAOYSA-N
HMDB28716,321.180089627,C15H23N5O3,NC(CCCNC(N)=N)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C15H23N5O3/c16-11(7-4-8-19-15(17)18)13(21)20-12(14(22)23)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19)",PQBHGSGQZSOLIR,UHFFFAOYSA,N,Arginyl-Phenylalanine,PQBHGSGQZSOLIR-UHFFFAOYSA-N
HMDB28717,271.164439563,C11H21N5O3,NC(CCCNC(N)=N)C(=O)N1CCCC1C(O)=O,"InChI=1S/C11H21N5O3/c12-7(3-1-5-15-11(13)14)9(17)16-6-2-4-8(16)10(18)19/h7-8H,1-6,12H2,(H,18,19)(H4,13,14,15)",LQJAALCCPOTJGB,UHFFFAOYSA,N,Arginyl-Proline,LQJAALCCPOTJGB-UHFFFAOYSA-N
HMDB28718,261.143704121,C9H19N5O4,NC(CCCNC(N)=N)C(=O)NC(CO)C(O)=O,"InChI=1S/C9H19N5O4/c10-5(2-1-3-13-9(11)12)7(16)14-6(4-15)8(17)18/h5-6,15H,1-4,10H2,(H,14,16)(H,17,18)(H4,11,12,13)",IJYZHIOOBGIINM,UHFFFAOYSA,N,Arginyl-Serine,IJYZHIOOBGIINM-UHFFFAOYSA-N
HMDB28719,275.159354185,C10H21N5O4,CC(O)C(NC(=O)C(N)CCCNC(N)=N)C(O)=O,"InChI=1S/C10H21N5O4/c1-5(16)7(9(18)19)15-8(17)6(11)3-2-4-14-10(12)13/h5-7,16H,2-4,11H2,1H3,(H,15,17)(H,18,19)(H4,12,13,14)",XNSKSTRGQIPTSE,UHFFFAOYSA,N,Arginyl-Threonine,XNSKSTRGQIPTSE-UHFFFAOYSA-N
HMDB28720,360.190988664,C17H24N6O3,NC(CCCNC(N)=N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C17H24N6O3/c18-12(5-3-7-21-17(19)20)15(24)23-14(16(25)26)8-10-9-22-13-6-2-1-4-11(10)13/h1-2,4,6,9,12,14,22H,3,5,7-8,18H2,(H,23,24)(H,25,26)(H4,19,20,21)",QADCERNTBWTXFV,UHFFFAOYSA,N,Arginyl-Tryptophan,QADCERNTBWTXFV-UHFFFAOYSA-N
HMDB28721,337.175004249,C15H23N5O4,NC(CCCNC(N)=N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C15H23N5O4/c16-11(2-1-7-19-15(17)18)13(22)20-12(14(23)24)8-9-3-5-10(21)6-4-9/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)",XTWSWDJMIKUJDQ,UHFFFAOYSA,N,Arginyl-Tyrosine,XTWSWDJMIKUJDQ-UHFFFAOYSA-N
HMDB28722,273.180089627,C11H23N5O3,CC(C)C(NC(=O)C(N)CCCNC(N)=N)C(O)=O,"InChI=1S/C11H23N5O3/c1-6(2)8(10(18)19)16-9(17)7(12)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)",DAQIJMOLTMGJLO,UHFFFAOYSA,N,Arginyl-Valine,DAQIJMOLTMGJLO-UHFFFAOYSA-N
HMDB28723,302.170253222,C11H22N6O4,NC(CCC(=O)NC(=O)C(N)CCCNC(N)=N)C(O)=O,"InChI=1S/C11H22N6O4/c12-6(2-1-5-16-11(14)15)9(19)17-8(18)4-3-7(13)10(20)21/h6-7H,1-5,12-13H2,(H,20,21)(H4,14,15,16)(H,17,18,19)",NSSFBLAWOMFCOV,UHFFFAOYSA,N,Arginyl-Gamma-glutamate,NSSFBLAWOMFCOV-UHFFFAOYSA-N
HMDB28724,203.090605919,C7H13N3O4,CC(NC(=O)C(N)CC(N)=O)C(O)=O,"InChI=1S/C7H13N3O4/c1-3(7(13)14)10-6(12)4(8)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)",SJUXYGVRSGTPMC,UHFFFAOYSA,N,Asparaginyl-Alanine,SJUXYGVRSGTPMC-UHFFFAOYSA-N
HMDB28725,288.154603158,C10H20N6O4,NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C10H20N6O4/c11-5(4-7(12)17)8(18)16-6(9(19)20)2-1-3-15-10(13)14/h5-6H,1-4,11H2,(H2,12,17)(H,16,18)(H,19,20)(H4,13,14,15)",NPDLYUOYAGBHFB,UHFFFAOYSA,N,Asparaginyl-Arginine,NPDLYUOYAGBHFB-UHFFFAOYSA-N
HMDB28726,246.096419578,C8H14N4O5,NC(CC(N)=O)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C8H14N4O5/c9-3(1-5(10)13)7(15)12-4(8(16)17)2-6(11)14/h3-4H,1-2,9H2,(H2,10,13)(H2,11,14)(H,12,15)(H,16,17)",RJUHZPRQRQLCFL,UHFFFAOYSA,N,Asparaginyl-Asparagine,RJUHZPRQRQLCFL-UHFFFAOYSA-N
HMDB28727,247.080435163,C8H13N3O6,NC(CC(N)=O)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C8H13N3O6/c9-3(1-5(10)12)7(15)11-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H2,10,12)(H,11,15)(H,13,14)(H,16,17)",HZYFHQOWCFUSOV,UHFFFAOYSA,N,Asparaginyl-Aspartate,HZYFHQOWCFUSOV-UHFFFAOYSA-N
HMDB28728,235.062676609,C7H13N3O4S,NC(CC(N)=O)C(=O)NC(CS)C(O)=O,"InChI=1S/C7H13N3O4S/c8-3(1-5(9)11)6(12)10-4(2-15)7(13)14/h3-4,15H,1-2,8H2,(H2,9,11)(H,10,12)(H,13,14)",TWXZVVXRRRRSLT,UHFFFAOYSA,N,Asparaginyl-Cysteine,TWXZVVXRRRRSLT-UHFFFAOYSA-N
HMDB28729,260.112069642,C9H16N4O5,NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C9H16N4O5/c10-4(3-7(12)15)8(16)13-5(9(17)18)1-2-6(11)14/h4-5H,1-3,10H2,(H2,11,14)(H2,12,15)(H,13,16)(H,17,18)",QCWJKJLNCFEVPQ,UHFFFAOYSA,N,Asparaginyl-Glutamine,QCWJKJLNCFEVPQ-UHFFFAOYSA-N
HMDB28730,260.088260195,C9H14N3O6,NC(CC(N)=O)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C9H15N3O6/c10-4(3-6(11)13)8(16)12-5(9(17)18)1-2-7(14)15/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)/p-1",IIFDPDVJAHQFSR,UHFFFAOYSA,M,Asparaginyl-Glutamate,IIFDPDVJAHQFSR-UHFFFAOYSA-M
HMDB28731,189.074955855,C6H11N3O4,NC(CC(N)=O)C(=O)NCC(O)=O,"InChI=1S/C6H11N3O4/c7-3(1-4(8)10)6(13)9-2-5(11)12/h3H,1-2,7H2,(H2,8,10)(H,9,13)(H,11,12)",KLKHFFMNGWULBN,UHFFFAOYSA,N,Asparaginyl-Glycine,KLKHFFMNGWULBN-UHFFFAOYSA-N
HMDB28732,245.101170605,C9H15N3O5,NC(CC(N)=O)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C9H15N3O5/c10-5(2-7(11)14)8(15)12-3-4(13)1-6(12)9(16)17/h4-6,13H,1-3,10H2,(H2,11,14)(H,16,17)",LMVFAFXAMGAFOO,UHFFFAOYSA,N,Asparaginyl-Hydroxyproline,LMVFAFXAMGAFOO-UHFFFAOYSA-N
HMDB28733,269.112403993,C10H15N5O4,NC(CC(N)=O)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C10H15N5O4/c11-6(2-8(12)16)9(17)15-7(10(18)19)1-5-3-13-4-14-5/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)",FFMIYIMKQIMDPK,UHFFFAOYSA,N,Asparaginyl-Histidine,FFMIYIMKQIMDPK-UHFFFAOYSA-N
HMDB28734,245.137556111,C10H19N3O4,CCC(C)C(NC(=O)C(N)CC(N)=O)C(O)=O,"InChI=1S/C10H19N3O4/c1-3-5(2)8(10(16)17)13-9(15)6(11)4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)",MQLZLIYPFDIDMZ,UHFFFAOYSA,N,Asparaginyl-Isoleucine,MQLZLIYPFDIDMZ-UHFFFAOYSA-N
HMDB28735,245.137556111,C10H19N3O4,CC(C)CC(NC(=O)C(N)CC(N)=O)C(O)=O,"InChI=1S/C10H19N3O4/c1-5(2)3-7(10(16)17)13-9(15)6(11)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)",HXWUJJADFMXNKA,UHFFFAOYSA,N,Asparaginyl-Leucine,HXWUJJADFMXNKA-UHFFFAOYSA-N
HMDB28736,260.148455148,C10H20N4O4,NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O,"InChI=1S/C10H20N4O4/c11-4-2-1-3-7(10(17)18)14-9(16)6(12)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)",QJMCHPGWFZZRID,UHFFFAOYSA,N,Asparaginyl-Lysine,QJMCHPGWFZZRID-UHFFFAOYSA-N
HMDB28737,263.093976737,C9H17N3O4S,CSCCC(NC(=O)C(N)CC(N)=O)C(O)=O,"InChI=1S/C9H17N3O4S/c1-17-3-2-6(9(15)16)12-8(14)5(10)4-7(11)13/h5-6H,2-4,10H2,1H3,(H2,11,13)(H,12,14)(H,15,16)",IQTUDDBANZYMAR,UHFFFAOYSA,N,Asparaginyl-Methionine,IQTUDDBANZYMAR-UHFFFAOYSA-N
HMDB28738,279.121906047,C13H17N3O4,NC(CC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C13H17N3O4/c14-9(7-11(15)17)12(18)16-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H2,15,17)(H,16,18)(H,19,20)",OMSMPWHEGLNQOD,UHFFFAOYSA,N,Asparaginyl-Phenylalanine,OMSMPWHEGLNQOD-UHFFFAOYSA-N
HMDB28739,229.106255983,C9H15N3O4,NC(CC(N)=O)C(=O)N1CCCC1C(O)=O,"InChI=1S/C9H15N3O4/c10-5(4-7(11)13)8(14)12-3-1-2-6(12)9(15)16/h5-6H,1-4,10H2,(H2,11,13)(H,15,16)",GADKFYNESXNRLC,UHFFFAOYSA,N,Asparaginyl-Proline,GADKFYNESXNRLC-UHFFFAOYSA-N
HMDB28740,219.085520541,C7H13N3O5,NC(CC(N)=O)C(=O)NC(CO)C(O)=O,"InChI=1S/C7H13N3O5/c8-3(1-5(9)12)6(13)10-4(2-11)7(14)15/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)",SONUFGRSSMFHFN,UHFFFAOYSA,N,Asparaginyl-Serine,SONUFGRSSMFHFN-UHFFFAOYSA-N
HMDB28741,233.101170605,C8H15N3O5,CC(O)C(NC(=O)C(N)CC(N)=O)C(O)=O,"InChI=1S/C8H15N3O5/c1-3(12)6(8(15)16)11-7(14)4(9)2-5(10)13/h3-4,6,12H,2,9H2,1H3,(H2,10,13)(H,11,14)(H,15,16)",VBKIFHUVGLOJKT,UHFFFAOYSA,N,Asparaginyl-Threonine,VBKIFHUVGLOJKT-UHFFFAOYSA-N
HMDB28742,318.132805084,C15H18N4O4,NC(CC(N)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C15H18N4O4/c16-10(6-13(17)20)14(21)19-12(15(22)23)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)",RGGVDKVXLBOLNS,UHFFFAOYSA,N,Asparaginyl-Tryptophan,RGGVDKVXLBOLNS-UHFFFAOYSA-N
HMDB28743,295.116820669,C13H17N3O5,NC(CC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C13H17N3O5/c14-9(6-11(15)18)12(19)16-10(13(20)21)5-7-1-3-8(17)4-2-7/h1-4,9-10,17H,5-6,14H2,(H2,15,18)(H,16,19)(H,20,21)",FYRVDDJMNISIKJ,UHFFFAOYSA,N,Asparaginyl-Tyrosine,FYRVDDJMNISIKJ-UHFFFAOYSA-N
HMDB28744,231.121906047,C9H17N3O4,CC(C)C(NC(=O)C(N)CC(N)=O)C(O)=O,"InChI=1S/C9H17N3O4/c1-4(2)7(9(15)16)12-8(14)5(10)3-6(11)13/h4-5,7H,3,10H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)",KWBQPGIYEZKDEG,UHFFFAOYSA,N,Asparaginyl-Valine,KWBQPGIYEZKDEG-UHFFFAOYSA-N
HMDB28745,260.112069642,C9H16N4O5,NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(O)=O,"InChI=1S/C9H16N4O5/c10-4(9(17)18)1-2-7(15)13-8(16)5(11)3-6(12)14/h4-5H,1-3,10-11H2,(H2,12,14)(H,17,18)(H,13,15,16)",CXTYHSFBRYPJED,UHFFFAOYSA,N,Asparaginyl-Gamma-glutamate,CXTYHSFBRYPJED-UHFFFAOYSA-N
HMDB28746,204.074621504,C7H12N2O5,CC(NC(=O)C(N)CC(O)=O)C(O)=O,"InChI=1S/C7H12N2O5/c1-3(7(13)14)9-6(12)4(8)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)",DVUFTQLHHHJEMK,UHFFFAOYSA,N,Aspartyl-Alanine,DVUFTQLHHHJEMK-UHFFFAOYSA-N
HMDB28747,289.138618743,C10H19N5O5,NC(CC(O)=O)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C10H19N5O5/c11-5(4-7(16)17)8(18)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)",PSZNHSNIGMJYOZ,UHFFFAOYSA,N,Aspartyl-Arginine,PSZNHSNIGMJYOZ-UHFFFAOYSA-N
HMDB28748,247.080435163,C8H13N3O6,NC(CC(O)=O)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C8H13N3O6/c9-3(1-6(13)14)7(15)11-4(8(16)17)2-5(10)12/h3-4H,1-2,9H2,(H2,10,12)(H,11,15)(H,13,14)(H,16,17)",VGRHZPNRCLAHQA,UHFFFAOYSA,N,Aspartyl-Asparagine,VGRHZPNRCLAHQA-UHFFFAOYSA-N
HMDB28749,248.064450748,C8H12N2O7,NC(CC(O)=O)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C8H12N2O7/c9-3(1-5(11)12)7(15)10-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H,10,15)(H,11,12)(H,13,14)(H,16,17)",FRYULLIZUDQONW,UHFFFAOYSA,N,Aspartyl-Aspartate,FRYULLIZUDQONW-UHFFFAOYSA-N
HMDB28750,236.046692194,C7H12N2O5S,NC(CC(O)=O)C(=O)NC(CS)C(O)=O,"InChI=1S/C7H12N2O5S/c8-3(1-5(10)11)6(12)9-4(2-15)7(13)14/h3-4,15H,1-2,8H2,(H,9,12)(H,10,11)(H,13,14)",FKBFDTRILNZGAI,UHFFFAOYSA,N,Aspartyl-Cysteine,FKBFDTRILNZGAI-UHFFFAOYSA-N
HMDB28751,261.096085227,C9H15N3O6,NC(CC(O)=O)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C9H15N3O6/c10-4(3-7(14)15)8(16)12-5(9(17)18)1-2-6(11)13/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)",GSMPSRPMQQDRIB,UHFFFAOYSA,N,Aspartyl-Glutamine,GSMPSRPMQQDRIB-UHFFFAOYSA-N
HMDB28752,261.07227578,C9H13N2O7,NC(CC(O)=O)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C9H14N2O7/c10-4(3-7(14)15)8(16)11-5(9(17)18)1-2-6(12)13/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/p-1",CKAJHWFHHFSCDT,UHFFFAOYSA,M,Aspartyl-Glutamate,CKAJHWFHHFSCDT-UHFFFAOYSA-M
HMDB28753,190.05897144,C6H10N2O5,NC(CC(O)=O)C(=O)NCC(O)=O,"InChI=1S/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)",JHFNSBBHKSZXKB,UHFFFAOYSA,N,Aspartyl-Glycine,JHFNSBBHKSZXKB-UHFFFAOYSA-N
HMDB28754,246.08518619,C9H14N2O6,NC(CC(O)=O)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C9H14N2O6/c10-5(2-7(13)14)8(15)11-3-4(12)1-6(11)9(16)17/h4-6,12H,1-3,10H2,(H,13,14)(H,16,17)",WJDUWENBTQEKDZ,UHFFFAOYSA,N,Aspartyl-Hydroxyproline,WJDUWENBTQEKDZ-UHFFFAOYSA-N
HMDB28755,270.096419578,C10H14N4O5,NC(CC(O)=O)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C10H14N4O5/c11-6(2-8(15)16)9(17)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)",HSPSXROIMXIJQW,UHFFFAOYSA,N,Aspartyl-Histidine,HSPSXROIMXIJQW-UHFFFAOYSA-N
HMDB28756,246.121571696,C10H18N2O5,CCC(C)C(NC(=O)C(N)CC(O)=O)C(O)=O,"InChI=1S/C10H18N2O5/c1-3-5(2)8(10(16)17)12-9(15)6(11)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)",BSWHERGFUNMWGS,UHFFFAOYSA,N,Aspartyl-Isoleucine,BSWHERGFUNMWGS-UHFFFAOYSA-N
HMDB28757,246.121571696,C10H18N2O5,CC(C)CC(NC(=O)C(N)CC(O)=O)C(O)=O,"InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-9(15)6(11)4-8(13)14/h5-7H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)",ZVDPYSVOZFINEE,UHFFFAOYSA,N,Aspartyl-Leucine,ZVDPYSVOZFINEE-UHFFFAOYSA-N
HMDB28758,261.132470733,C10H19N3O5,NCCCCC(NC(=O)C(N)CC(O)=O)C(O)=O,"InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)",OAMLVOVXNKILLQ,UHFFFAOYSA,N,Aspartyl-Lysine,OAMLVOVXNKILLQ-UHFFFAOYSA-N
HMDB28759,264.077992322,C9H16N2O5S,CSCCC(NC(=O)C(N)CC(O)=O)C(O)=O,"InChI=1S/C9H16N2O5S/c1-17-3-2-6(9(15)16)11-8(14)5(10)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)",DYDKXJWQCIVTMR,UHFFFAOYSA,N,Aspartyl-Methionine,DYDKXJWQCIVTMR-UHFFFAOYSA-N
HMDB28760,280.105921632,C13H16N2O5,NC(CC(O)=O)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)",YZQCXOFQZKCETR,UHFFFAOYSA,N,Aspartyl-Phenylalanine,YZQCXOFQZKCETR-UHFFFAOYSA-N
HMDB28761,230.090271568,C9H14N2O5,NC(CC(O)=O)C(=O)N1CCCC1C(O)=O,"InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)",UKGGPJNBONZZCM,UHFFFAOYSA,N,Aspartyl-Proline,UKGGPJNBONZZCM-UHFFFAOYSA-N
HMDB28762,220.069536126,C7H12N2O6,NC(CC(O)=O)C(=O)NC(CO)C(O)=O,"InChI=1S/C7H12N2O6/c8-3(1-5(11)12)6(13)9-4(2-10)7(14)15/h3-4,10H,1-2,8H2,(H,9,13)(H,11,12)(H,14,15)",DWBZEJHQQIURML,UHFFFAOYSA,N,Aspartyl-Serine,DWBZEJHQQIURML-UHFFFAOYSA-N
HMDB28763,234.08518619,C8H14N2O6,CC(O)C(NC(=O)C(N)CC(O)=O)C(O)=O,"InChI=1S/C8H14N2O6/c1-3(11)6(8(15)16)10-7(14)4(9)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)",NTQDELBZOMWXRS,UHFFFAOYSA,N,Aspartyl-Threonine,NTQDELBZOMWXRS-UHFFFAOYSA-N
HMDB28764,319.116820669,C15H17N3O5,NC(CC(O)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C15H17N3O5/c16-10(6-13(19)20)14(21)18-12(15(22)23)5-8-7-17-11-4-2-1-3-9(8)11/h1-4,7,10,12,17H,5-6,16H2,(H,18,21)(H,19,20)(H,22,23)",ZARXTZFGQZBYFO,UHFFFAOYSA,N,Aspartyl-Tryptophan,ZARXTZFGQZBYFO-UHFFFAOYSA-N
HMDB28765,296.100836254,C13H16N2O6,NC(CC(O)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C13H16N2O6/c14-9(6-11(17)18)12(19)15-10(13(20)21)5-7-1-3-8(16)4-2-7/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)",NALWOULWGHTVDA,UHFFFAOYSA,N,Aspartyl-Tyrosine,NALWOULWGHTVDA-UHFFFAOYSA-N
HMDB28766,232.105921632,C9H16N2O5,CC(C)C(NC(=O)C(N)CC(O)=O)C(O)=O,"InChI=1S/C9H16N2O5/c1-4(2)7(9(15)16)11-8(14)5(10)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)",CPMKYMGGYUFOHS,UHFFFAOYSA,N,Aspartyl-Valine,CPMKYMGGYUFOHS-UHFFFAOYSA-N
HMDB28767,261.096085227,C9H15N3O6,NC(CCC(=O)NC(=O)C(N)CC(O)=O)C(O)=O,"InChI=1S/C9H15N3O6/c10-4(9(17)18)1-2-6(13)12-8(16)5(11)3-7(14)15/h4-5H,1-3,10-11H2,(H,14,15)(H,17,18)(H,12,13,16)",BEVYCXGDASRHRK,UHFFFAOYSA,N,Aspartyl-Gamma-glutamate,BEVYCXGDASRHRK-UHFFFAOYSA-N
HMDB28768,192.05686295,C6H12N2O3S,CC(NC(=O)C(N)CS)C(O)=O,"InChI=1S/C6H12N2O3S/c1-3(6(10)11)8-5(9)4(7)2-12/h3-4,12H,2,7H2,1H3,(H,8,9)(H,10,11)",HAYVTMHUNMMXCV,UHFFFAOYSA,N,Cysteinyl-Alanine,HAYVTMHUNMMXCV-UHFFFAOYSA-N
HMDB28769,277.120860189,C9H19N5O3S,NC(CS)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C9H19N5O3S/c10-5(4-18)7(15)14-6(8(16)17)2-1-3-13-9(11)12/h5-6,18H,1-4,10H2,(H,14,15)(H,16,17)(H4,11,12,13)",RGTVXXNMOGHRAY,UHFFFAOYSA,N,Cysteinyl-Arginine,RGTVXXNMOGHRAY-UHFFFAOYSA-N
HMDB28770,235.062676609,C7H13N3O4S,NC(CS)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C7H13N3O4S/c8-3(2-15)6(12)10-4(7(13)14)1-5(9)11/h3-4,15H,1-2,8H2,(H2,9,11)(H,10,12)(H,13,14)",AYKQJQVWUYEZNU,UHFFFAOYSA,N,Cysteinyl-Asparagine,AYKQJQVWUYEZNU-UHFFFAOYSA-N
HMDB28771,236.046692194,C7H12N2O5S,NC(CS)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C7H12N2O5S/c8-3(2-15)6(12)9-4(7(13)14)1-5(10)11/h3-4,15H,1-2,8H2,(H,9,12)(H,10,11)(H,13,14)",TULNGKSILXCZQT,UHFFFAOYSA,N,Cysteinyl-Aspartate,TULNGKSILXCZQT-UHFFFAOYSA-N
HMDB28772,224.02893364,C6H12N2O3S2,NC(CS)C(=O)NC(CS)C(O)=O,"InChI=1S/C6H12N2O3S2/c7-3(1-12)5(9)8-4(2-13)6(10)11/h3-4,12-13H,1-2,7H2,(H,8,9)(H,10,11)",OABOXRPGTFRBFZ,UHFFFAOYSA,N,Cysteinyl-Cysteine,OABOXRPGTFRBFZ-UHFFFAOYSA-N
HMDB28773,249.078326673,C8H15N3O4S,NC(CS)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C8H15N3O4S/c9-4(3-16)7(13)11-5(8(14)15)1-2-6(10)12/h4-5,16H,1-3,9H2,(H2,10,12)(H,11,13)(H,14,15)",YHDXIZKDOIWPBW,UHFFFAOYSA,N,Cysteinyl-Glutamine,YHDXIZKDOIWPBW-UHFFFAOYSA-N
HMDB28774,249.054517226,C8H13N2O5S,NC(CS)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C8H14N2O5S/c9-4(3-16)7(13)10-5(8(14)15)1-2-6(11)12/h4-5,16H,1-3,9H2,(H,10,13)(H,11,12)(H,14,15)/p-1",BUXAPSQPMALTOY,UHFFFAOYSA,M,Cysteinyl-Glutamate,BUXAPSQPMALTOY-UHFFFAOYSA-M
HMDB28775,178.041212886,C5H10N2O3S,NC(CS)C(=O)NCC(O)=O,"InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)",ZUKPVRWZDMRIEO,UHFFFAOYSA,N,Cysteinyl-Glycine,ZUKPVRWZDMRIEO-UHFFFAOYSA-N
HMDB28776,234.067427636,C8H14N2O4S,NC(CS)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C8H14N2O4S/c9-5(3-15)7(12)10-2-4(11)1-6(10)8(13)14/h4-6,11,15H,1-3,9H2,(H,13,14)",JQNFSWJEERESHM,UHFFFAOYSA,N,Cysteinyl-Hydroxyproline,JQNFSWJEERESHM-UHFFFAOYSA-N
HMDB28777,258.078661024,C9H14N4O3S,NC(CS)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C9H14N4O3S/c10-6(3-17)8(14)13-7(9(15)16)1-5-2-11-4-12-5/h2,4,6-7,17H,1,3,10H2,(H,11,12)(H,13,14)(H,15,16)",LVNMAAGSAUGNIC,UHFFFAOYSA,N,Cysteinyl-Histidine,LVNMAAGSAUGNIC-UHFFFAOYSA-N
HMDB28778,234.103813142,C9H18N2O3S,CCC(C)C(NC(=O)C(N)CS)C(O)=O,"InChI=1S/C9H18N2O3S/c1-3-5(2)7(9(13)14)11-8(12)6(10)4-15/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)",VBIIZCXWOZDIHS,UHFFFAOYSA,N,Cysteinyl-Isoleucine,VBIIZCXWOZDIHS-UHFFFAOYSA-N
HMDB28779,234.103813142,C9H18N2O3S,CC(C)CC(NC(=O)C(N)CS)C(O)=O,"InChI=1S/C9H18N2O3S/c1-5(2)3-7(9(13)14)11-8(12)6(10)4-15/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)",NXTYATMDWQYLGJ,UHFFFAOYSA,N,Cysteinyl-Leucine,NXTYATMDWQYLGJ-UHFFFAOYSA-N
HMDB28780,249.114712179,C9H19N3O3S,NCCCCC(NC(=O)C(N)CS)C(O)=O,"InChI=1S/C9H19N3O3S/c10-4-2-1-3-7(9(14)15)12-8(13)6(11)5-16/h6-7,16H,1-5,10-11H2,(H,12,13)(H,14,15)",WXOFKRKAHJQKLT,UHFFFAOYSA,N,Cysteinyl-Lysine,WXOFKRKAHJQKLT-UHFFFAOYSA-N
HMDB28781,252.060233768,C8H16N2O3S2,CSCCC(NC(=O)C(N)CS)C(O)=O,"InChI=1S/C8H16N2O3S2/c1-15-3-2-6(8(12)13)10-7(11)5(9)4-14/h5-6,14H,2-4,9H2,1H3,(H,10,11)(H,12,13)",OOULJWDSSVOMHX,UHFFFAOYSA,N,Cysteinyl-Methionine,OOULJWDSSVOMHX-UHFFFAOYSA-N
HMDB28782,268.088163078,C12H16N2O3S,NC(CS)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C12H16N2O3S/c13-9(7-18)11(15)14-10(12(16)17)6-8-4-2-1-3-5-8/h1-5,9-10,18H,6-7,13H2,(H,14,15)(H,16,17)",XZFYRXDAULDNFX,UHFFFAOYSA,N,Cysteinyl-Phenylalanine,XZFYRXDAULDNFX-UHFFFAOYSA-N
HMDB28783,218.072513014,C8H14N2O3S,NC(CS)C(=O)N1CCCC1C(O)=O,"InChI=1S/C8H14N2O3S/c9-5(4-14)7(11)10-3-1-2-6(10)8(12)13/h5-6,14H,1-4,9H2,(H,12,13)",ZSRSLWKGWFFVCM,UHFFFAOYSA,N,Cysteinyl-Proline,ZSRSLWKGWFFVCM-UHFFFAOYSA-N
HMDB28784,208.051777572,C6H12N2O4S,NC(CS)C(=O)NC(CO)C(O)=O,"InChI=1S/C6H12N2O4S/c7-3(2-13)5(10)8-4(1-9)6(11)12/h3-4,9,13H,1-2,7H2,(H,8,10)(H,11,12)",YXQDRIRSAHTJKM,UHFFFAOYSA,N,Cysteinyl-Serine,YXQDRIRSAHTJKM-UHFFFAOYSA-N
HMDB28785,222.067427636,C7H14N2O4S,CC(O)C(NC(=O)C(N)CS)C(O)=O,"InChI=1S/C7H14N2O4S/c1-3(10)5(7(12)13)9-6(11)4(8)2-14/h3-5,10,14H,2,8H2,1H3,(H,9,11)(H,12,13)",WYVKPHCYMTWUCW,UHFFFAOYSA,N,Cysteinyl-Threonine,WYVKPHCYMTWUCW-UHFFFAOYSA-N
HMDB28786,307.099062115,C14H17N3O3S,NC(CS)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C14H17N3O3S/c15-10(7-21)13(18)17-12(14(19)20)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,21H,5,7,15H2,(H,17,18)(H,19,20)",SYELGNBERZZXAG,UHFFFAOYSA,N,Cysteinyl-Tryptophan,SYELGNBERZZXAG-UHFFFAOYSA-N
HMDB28787,284.0830777,C12H16N2O4S,NC(CS)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C12H16N2O4S/c13-9(6-19)11(16)14-10(12(17)18)5-7-1-3-8(15)4-2-7/h1-4,9-10,15,19H,5-6,13H2,(H,14,16)(H,17,18)",DSTWKJOBKSMVCV,UHFFFAOYSA,N,Cysteinyl-Tyrosine,DSTWKJOBKSMVCV-UHFFFAOYSA-N
HMDB28788,220.088163078,C8H16N2O3S,CC(C)C(NC(=O)C(N)CS)C(O)=O,"InChI=1S/C8H16N2O3S/c1-4(2)6(8(12)13)10-7(11)5(9)3-14/h4-6,14H,3,9H2,1-2H3,(H,10,11)(H,12,13)",OELDIVRKHTYFNG,UHFFFAOYSA,N,Cysteinyl-Valine,OELDIVRKHTYFNG-UHFFFAOYSA-N
HMDB28789,249.078326673,C8H15N3O4S,NC(CCC(=O)NC(=O)C(N)CS)C(O)=O,"InChI=1S/C8H15N3O4S/c9-4(8(14)15)1-2-6(12)11-7(13)5(10)3-16/h4-5,16H,1-3,9-10H2,(H,14,15)(H,11,12,13)",XPAFFAFOIOJDEH,UHFFFAOYSA,N,Cysteinyl-Gamma-glutamate,XPAFFAFOIOJDEH-UHFFFAOYSA-N
HMDB28790,217.106255983,C8H15N3O4,CC(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C8H15N3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)",FAQVCWVVIYYWRR,UHFFFAOYSA,N,Glutaminyl-Alanine,FAQVCWVVIYYWRR-UHFFFAOYSA-N
HMDB28791,302.170253222,C11H22N6O4,NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C11H22N6O4/c12-6(3-4-8(13)18)9(19)17-7(10(20)21)2-1-5-16-11(14)15/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)",OPINTGHFESTVAX,UHFFFAOYSA,N,Glutaminyl-Arginine,OPINTGHFESTVAX-UHFFFAOYSA-N
HMDB28792,260.112069642,C9H16N4O5,NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C9H16N4O5/c10-4(1-2-6(11)14)8(16)13-5(9(17)18)3-7(12)15/h4-5H,1-3,10H2,(H2,11,14)(H2,12,15)(H,13,16)(H,17,18)",DXJZITDUDUPINW,UHFFFAOYSA,N,Glutaminyl-Asparagine,DXJZITDUDUPINW-UHFFFAOYSA-N
HMDB28793,261.096085227,C9H15N3O6,NC(CCC(N)=O)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C9H15N3O6/c10-4(1-2-6(11)13)8(16)12-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)",SSHIXEILTLPAQT,UHFFFAOYSA,N,Glutaminyl-Aspartate,SSHIXEILTLPAQT-UHFFFAOYSA-N
HMDB28794,249.078326673,C8H15N3O4S,NC(CCC(N)=O)C(=O)NC(CS)C(O)=O,"InChI=1S/C8H15N3O4S/c9-4(1-2-6(10)12)7(13)11-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H2,10,12)(H,11,13)(H,14,15)",XIPZDANNDPMZGQ,UHFFFAOYSA,N,Glutaminyl-Cysteine,XIPZDANNDPMZGQ-UHFFFAOYSA-N
HMDB28795,274.127719706,C10H18N4O5,NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)",LOJYQMFIIJVETK,UHFFFAOYSA,N,Glutaminyl-Glutamine,LOJYQMFIIJVETK-UHFFFAOYSA-N
HMDB28796,274.103910259,C10H16N3O6,NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C10H17N3O6/c11-5(1-3-7(12)14)9(17)13-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/p-1",OWOFCNWTMWOOJJ,UHFFFAOYSA,M,Glutaminyl-Glutamate,OWOFCNWTMWOOJJ-UHFFFAOYSA-M
HMDB28797,203.090605919,C7H13N3O4,NC(CCC(N)=O)C(=O)NCC(O)=O,"InChI=1S/C7H13N3O4/c8-4(1-2-5(9)11)7(14)10-3-6(12)13/h4H,1-3,8H2,(H2,9,11)(H,10,14)(H,12,13)",JEFZIKRIDLHOIF,UHFFFAOYSA,N,Glutaminyl-Glycine,JEFZIKRIDLHOIF-UHFFFAOYSA-N
HMDB28798,259.116820669,C10H17N3O5,NC(CCC(N)=O)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C10H17N3O5/c11-6(1-2-8(12)15)9(16)13-4-5(14)3-7(13)10(17)18/h5-7,14H,1-4,11H2,(H2,12,15)(H,17,18)",HNXKAWFNQGNMNH,UHFFFAOYSA,N,Glutaminyl-Hydroxyproline,HNXKAWFNQGNMNH-UHFFFAOYSA-N
HMDB28799,283.128054057,C11H17N5O4,NC(CCC(N)=O)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C11H17N5O4/c12-7(1-2-9(13)17)10(18)16-8(11(19)20)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)",JZOYFBPIEHCDFV,UHFFFAOYSA,N,Glutaminyl-Histidine,JZOYFBPIEHCDFV-UHFFFAOYSA-N
HMDB28800,259.153206175,C11H21N3O4,CCC(C)C(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C11H21N3O4/c1-3-6(2)9(11(17)18)14-10(16)7(12)4-5-8(13)15/h6-7,9H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)",XITLYYAIPBBHPX,UHFFFAOYSA,N,Glutaminyl-Isoleucine,XITLYYAIPBBHPX-UHFFFAOYSA-N
HMDB28801,259.153206175,C11H21N3O4,CC(C)CC(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C11H21N3O4/c1-6(2)5-8(11(17)18)14-10(16)7(12)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)",ARPVSMCNIDAQBO,UHFFFAOYSA,N,Glutaminyl-Leucine,ARPVSMCNIDAQBO-UHFFFAOYSA-N
HMDB28802,274.164105212,C11H22N4O4,NCCCCC(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C11H22N4O4/c12-6-2-1-3-8(11(18)19)15-10(17)7(13)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)",CLSDNFWKGFJIBZ,UHFFFAOYSA,N,Glutaminyl-Lysine,CLSDNFWKGFJIBZ-UHFFFAOYSA-N
HMDB28803,277.109626801,C10H19N3O4S,CSCCC(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C10H19N3O4S/c1-18-5-4-7(10(16)17)13-9(15)6(11)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)",SIGGQAHUPUBWNF,UHFFFAOYSA,N,Glutaminyl-Methionine,SIGGQAHUPUBWNF-UHFFFAOYSA-N
HMDB28804,293.137556111,C14H19N3O4,NC(CCC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C14H19N3O4/c15-10(6-7-12(16)18)13(19)17-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H2,16,18)(H,17,19)(H,20,21)",VHLZDSUANXBJHW,UHFFFAOYSA,N,Glutaminyl-Phenylalanine,VHLZDSUANXBJHW-UHFFFAOYSA-N
HMDB28805,243.121906047,C10H17N3O4,NC(CCC(N)=O)C(=O)N1CCCC1C(O)=O,"InChI=1S/C10H17N3O4/c11-6(3-4-8(12)14)9(15)13-5-1-2-7(13)10(16)17/h6-7H,1-5,11H2,(H2,12,14)(H,16,17)",NJMYZEJORPYOTO,UHFFFAOYSA,N,Glutaminyl-Proline,NJMYZEJORPYOTO-UHFFFAOYSA-N
HMDB28806,233.101170605,C8H15N3O5,NC(CCC(N)=O)C(=O)NC(CO)C(O)=O,"InChI=1S/C8H15N3O5/c9-4(1-2-6(10)13)7(14)11-5(3-12)8(15)16/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)",UKKNTTCNGZLJEX,UHFFFAOYSA,N,Glutaminyl-Serine,UKKNTTCNGZLJEX-UHFFFAOYSA-N
HMDB28807,247.116820669,C9H17N3O5,CC(O)C(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C9H17N3O5/c1-4(13)7(9(16)17)12-8(15)5(10)2-3-6(11)14/h4-5,7,13H,2-3,10H2,1H3,(H2,11,14)(H,12,15)(H,16,17)",HHSJMSCOLJVTCX,UHFFFAOYSA,N,Glutaminyl-Threonine,HHSJMSCOLJVTCX-UHFFFAOYSA-N
HMDB28808,332.148455148,C16H20N4O4,NC(CCC(N)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C16H20N4O4/c17-11(5-6-14(18)21)15(22)20-13(16(23)24)7-9-8-19-12-4-2-1-3-10(9)12/h1-4,8,11,13,19H,5-7,17H2,(H2,18,21)(H,20,22)(H,23,24)",ZQFAGNFSIZZYBA,UHFFFAOYSA,N,Glutaminyl-Tryptophan,ZQFAGNFSIZZYBA-UHFFFAOYSA-N
HMDB28809,309.132470733,C14H19N3O5,NC(CCC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C14H19N3O5/c15-10(5-6-12(16)19)13(20)17-11(14(21)22)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)",KGNSGRRALVIRGR,UHFFFAOYSA,N,Glutaminyl-Tyrosine,KGNSGRRALVIRGR-UHFFFAOYSA-N
HMDB28810,245.137556111,C10H19N3O4,CC(C)C(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C10H19N3O4/c1-5(2)8(10(16)17)13-9(15)6(11)3-4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)",MRVYVEQPNDSWLH,UHFFFAOYSA,N,Glutaminyl-Valine,MRVYVEQPNDSWLH-UHFFFAOYSA-N
HMDB28811,274.127719706,C10H18N4O5,NC(CCC(=O)NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C10H18N4O5/c11-5(1-3-7(13)15)9(17)14-8(16)4-2-6(12)10(18)19/h5-6H,1-4,11-12H2,(H2,13,15)(H,18,19)(H,14,16,17)",YWPMFELGYPTDIO,UHFFFAOYSA,N,Glutaminyl-Gamma-glutamate,YWPMFELGYPTDIO-UHFFFAOYSA-N
HMDB28812,217.082446536,C8H13N2O5,CC(NC(=O)C(N)CCC([O-])=O)C(O)=O,"InChI=1S/C8H14N2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/p-1",JZDHUJAFXGNDSB,UHFFFAOYSA,M,Glutamyl-Alanine,JZDHUJAFXGNDSB-UHFFFAOYSA-M
HMDB28813,302.146443775,C11H20N5O5,NC(CCC([O-])=O)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C11H21N5O5/c12-6(3-4-8(17)18)9(19)16-7(10(20)21)2-1-5-15-11(13)14/h6-7H,1-5,12H2,(H,16,19)(H,17,18)(H,20,21)(H4,13,14,15)/p-1",MPZWMIIOPAPAKE,UHFFFAOYSA,M,Glutamyl-Arginine,MPZWMIIOPAPAKE-UHFFFAOYSA-M
HMDB28814,260.088260195,C9H14N3O6,NC(CCC([O-])=O)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C9H15N3O6/c10-4(1-2-7(14)15)8(16)12-5(9(17)18)3-6(11)13/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)/p-1",TUTIHHSZKFBMHM,UHFFFAOYSA,M,Glutamyl-Asparagine,TUTIHHSZKFBMHM-UHFFFAOYSA-M
HMDB28815,261.07227578,C9H13N2O7,NC(CCC([O-])=O)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C9H14N2O7/c10-4(1-2-6(12)13)8(16)11-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/p-1",FYYSIASRLDJUNP,UHFFFAOYSA,M,Glutamyl-Aspartate,FYYSIASRLDJUNP-UHFFFAOYSA-M
HMDB28816,249.054517226,C8H13N2O5S,NC(CCC([O-])=O)C(=O)NC(CS)C(O)=O,"InChI=1S/C8H14N2O5S/c9-4(1-2-6(11)12)7(13)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,13)(H,11,12)(H,14,15)/p-1",PABVKUJVLNMOJP,UHFFFAOYSA,M,Glutamyl-Cysteine,PABVKUJVLNMOJP-UHFFFAOYSA-M
HMDB28817,274.103910259,C10H16N3O6,NC(CCC([O-])=O)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C10H17N3O6/c11-5(1-4-8(15)16)9(17)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/p-1",MGHKSHCBDXNTHX,UHFFFAOYSA,M,Glutamyl-Glutamine,MGHKSHCBDXNTHX-UHFFFAOYSA-M
HMDB28818,274.080100812,C10H14N2O7,NC(CCC([O-])=O)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-2",KOSRFJWDECSPRO,UHFFFAOYSA,L,Glutamyl-Glutamate,KOSRFJWDECSPRO-UHFFFAOYSA-L
HMDB28819,203.066796472,C7H11N2O5,NC(CCC([O-])=O)C(=O)NCC(O)=O,"InChI=1S/C7H12N2O5/c8-4(1-2-5(10)11)7(14)9-3-6(12)13/h4H,1-3,8H2,(H,9,14)(H,10,11)(H,12,13)/p-1",LSPKYLAFTPBWIL,UHFFFAOYSA,M,Glutamyl-Glycine,LSPKYLAFTPBWIL-UHFFFAOYSA-M
HMDB28820,259.093011222,C10H15N2O6,NC(CCC([O-])=O)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C10H16N2O6/c11-6(1-2-8(14)15)9(16)12-4-5(13)3-7(12)10(17)18/h5-7,13H,1-4,11H2,(H,14,15)(H,17,18)/p-1",NRSOKLBABRGMGJ,UHFFFAOYSA,M,Glutamyl-Hydroxyproline,NRSOKLBABRGMGJ-UHFFFAOYSA-M
HMDB28821,283.10424461,C11H15N4O5,NC(CCC([O-])=O)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C11H16N4O5/c12-7(1-2-9(16)17)10(18)15-8(11(19)20)3-6-4-13-5-14-6/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/p-1",HKTRDWYCAUTRRL,UHFFFAOYSA,M,Glutamyl-Histidine,HKTRDWYCAUTRRL-UHFFFAOYSA-M
HMDB28822,259.129396728,C11H19N2O5,CCC(C)C(NC(=O)C(N)CCC([O-])=O)C(O)=O,"InChI=1S/C11H20N2O5/c1-3-6(2)9(11(17)18)13-10(16)7(12)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/p-1",SNFUTDLOCQQRQD,UHFFFAOYSA,M,Glutamyl-Isoleucine,SNFUTDLOCQQRQD-UHFFFAOYSA-M
HMDB28823,259.129396728,C11H19N2O5,CC(C)CC(NC(=O)C(N)CCC([O-])=O)C(O)=O,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-10(16)7(12)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/p-1",YBAFDPFAUTYYRW,UHFFFAOYSA,M,Glutamyl-Leucine,YBAFDPFAUTYYRW-UHFFFAOYSA-M
HMDB28824,274.140295765,C11H20N3O5,NCCCCC(NC(=O)C(N)CCC([O-])=O)C(O)=O,"InChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-10(17)7(13)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/p-1",BBBXWRGITSUJPB,UHFFFAOYSA,M,Glutamyl-Lysine,BBBXWRGITSUJPB-UHFFFAOYSA-M
HMDB28825,277.085817354,C10H17N2O5S,CSCCC(NC(=O)C(N)CCC([O-])=O)C(O)=O,"InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-9(15)6(11)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/p-1",SXGAGTVDWKQYCX,UHFFFAOYSA,M,Glutamyl-Methionine,SXGAGTVDWKQYCX-UHFFFAOYSA-M
HMDB28826,293.113746664,C14H17N2O5,NC(CCC([O-])=O)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C14H18N2O5/c15-10(6-7-12(17)18)13(19)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,17,18)(H,20,21)/p-1",XMBSYZWANAQXEV,UHFFFAOYSA,M,Glutamyl-Phenylalanine,XMBSYZWANAQXEV-UHFFFAOYSA-M
HMDB28827,243.0980966,C10H15N2O5,NC(CCC([O-])=O)C(=O)N1CCCC1C(O)=O,"InChI=1S/C10H16N2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7H,1-5,11H2,(H,13,14)(H,16,17)/p-1",YBTCBQBIJKGSJP,UHFFFAOYSA,M,Glutamyl-Proline,YBTCBQBIJKGSJP-UHFFFAOYSA-M
HMDB28828,233.077361158,C8H13N2O6,NC(CCC([O-])=O)C(=O)NC(CO)C(O)=O,"InChI=1S/C8H14N2O6/c9-4(1-2-6(12)13)7(14)10-5(3-11)8(15)16/h4-5,11H,1-3,9H2,(H,10,14)(H,12,13)(H,15,16)/p-1",UQHGAYSULGRWRG,UHFFFAOYSA,M,Glutamyl-Serine,UQHGAYSULGRWRG-UHFFFAOYSA-M
HMDB28829,247.093011222,C9H15N2O6,CC(O)C(NC(=O)C(N)CCC([O-])=O)C(O)=O,"InChI=1S/C9H16N2O6/c1-4(12)7(9(16)17)11-8(15)5(10)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/p-1",JSIQVRIXMINMTA,UHFFFAOYSA,M,Glutamyl-Threonine,JSIQVRIXMINMTA-UHFFFAOYSA-M
HMDB28830,332.124645701,C16H18N3O5,NC(CCC([O-])=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/p-1",LLEUXCDZPQOJMY,UHFFFAOYSA,M,Glutamyl-Tryptophan,LLEUXCDZPQOJMY-UHFFFAOYSA-M
HMDB28831,309.108661286,C14H17N2O6,NC(CCC([O-])=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C14H18N2O6/c15-10(5-6-12(18)19)13(20)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)/p-1",YSWHPLCDIMUKFE,UHFFFAOYSA,M,Glutamyl-Tyrosine,YSWHPLCDIMUKFE-UHFFFAOYSA-M
HMDB28832,245.113746664,C10H17N2O5,CC(C)C(NC(=O)C(N)CCC([O-])=O)C(O)=O,"InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-9(15)6(11)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/p-1",SITLTJHOQZFJGG,UHFFFAOYSA,M,Glutamyl-Valine,SITLTJHOQZFJGG-UHFFFAOYSA-M
HMDB28833,274.103910259,C10H16N3O6,NC(CCC(=O)NC(=O)C(N)CCC([O-])=O)C(O)=O,"InChI=1S/C10H17N3O6/c11-5(2-4-8(15)16)9(17)13-7(14)3-1-6(12)10(18)19/h5-6H,1-4,11-12H2,(H,15,16)(H,18,19)(H,13,14,17)/p-1",UDXGQZURTGBEOD,UHFFFAOYSA,M,Glutamyl-Gamma-glutamate,UDXGQZURTGBEOD-UHFFFAOYSA-M
HMDB28835,231.133139435,C8H17N5O3,NCC(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C8H17N5O3/c9-4-6(14)13-5(7(15)16)2-1-3-12-8(10)11/h5H,1-4,9H2,(H,13,14)(H,15,16)(H4,10,11,12)",JLXVRFDTDUGQEE,UHFFFAOYSA,N,Glycyl-Arginine,JLXVRFDTDUGQEE-UHFFFAOYSA-N
HMDB28836,189.074955855,C6H11N3O4,NCC(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)",FUESBOMYALLFNI,UHFFFAOYSA,N,Glycyl-Asparagine,FUESBOMYALLFNI-UHFFFAOYSA-N
HMDB28837,190.05897144,C6H10N2O5,NCC(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)",SCCPDJAQCXWPTF,UHFFFAOYSA,N,Glycyl-Aspartate,SCCPDJAQCXWPTF-UHFFFAOYSA-N
HMDB28838,178.041212886,C5H10N2O3S,NCC(=O)NC(CS)C(O)=O,"InChI=1S/C5H10N2O3S/c6-1-4(8)7-3(2-11)5(9)10/h3,11H,1-2,6H2,(H,7,8)(H,9,10)",MFBYPDKTAJXHNI,UHFFFAOYSA,N,Glycyl-Cysteine,MFBYPDKTAJXHNI-UHFFFAOYSA-N
HMDB28839,203.090605919,C7H13N3O4,NCC(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)",PNMUAGGSDZXTHX,UHFFFAOYSA,N,Glycyl-Glutamine,PNMUAGGSDZXTHX-UHFFFAOYSA-N
HMDB28840,203.066796472,C7H11N2O5,NCC(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/p-1",IEFJWDNGDZAYNZ,UHFFFAOYSA,M,Glycyl-Glutamate,IEFJWDNGDZAYNZ-UHFFFAOYSA-M
HMDB28842,188.079706882,C7H12N2O4,NCC(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)",ZJQXGJBINIMBOY,UHFFFAOYSA,N,Glycyl-Hydroxyproline,ZJQXGJBINIMBOY-UHFFFAOYSA-N
HMDB28843,212.09094027,C8H12N4O3,NCC(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)",YIWFXZNIBQBFHR,UHFFFAOYSA,N,Glycyl-Histidine,YIWFXZNIBQBFHR-UHFFFAOYSA-N
HMDB28844,188.116092388,C8H16N2O3,CCC(C)C(NC(=O)CN)C(O)=O,"InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)",KGVHCTWYMPWEGN,UHFFFAOYSA,N,Glycyl-Isoleucine,KGVHCTWYMPWEGN-UHFFFAOYSA-N
HMDB28846,203.126991425,C8H17N3O3,NCCCCC(NC(=O)CN)C(O)=O,"InChI=1S/C8H17N3O3/c9-4-2-1-3-6(8(13)14)11-7(12)5-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14)",IKAIKUBBJHFNBZ,UHFFFAOYSA,N,Glycyl-Lysine,IKAIKUBBJHFNBZ-UHFFFAOYSA-N
HMDB28847,206.072513014,C7H14N2O3S,CSCCC(NC(=O)CN)C(O)=O,"InChI=1S/C7H14N2O3S/c1-13-3-2-5(7(11)12)9-6(10)4-8/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)",PFMUCCYYAAFKTH,UHFFFAOYSA,N,Glycyl-Methionine,PFMUCCYYAAFKTH-UHFFFAOYSA-N
HMDB28848,222.100442324,C11H14N2O3,NCC(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)",JBCLFWXMTIKCCB,UHFFFAOYSA,N,Glycyl-Phenylalanine,JBCLFWXMTIKCCB-UHFFFAOYSA-N
HMDB28850,162.064056818,C5H10N2O4,NCC(=O)NC(CO)C(O)=O,"InChI=1S/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11)",BCCRXDTUTZHDEU,UHFFFAOYSA,N,Glycyl-Serine,BCCRXDTUTZHDEU-UHFFFAOYSA-N
HMDB28851,176.079706882,C6H12N2O4,CC(O)C(NC(=O)CN)C(O)=O,"InChI=1S/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)",OLIFSFOFKGKIRH,UHFFFAOYSA,N,Glycyl-Threonine,OLIFSFOFKGKIRH-UHFFFAOYSA-N
HMDB28852,261.111341361,C13H15N3O3,NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19)",AJHCSUXXECOXOY,UHFFFAOYSA,N,Glycyl-Tryptophan,AJHCSUXXECOXOY-UHFFFAOYSA-N
HMDB28853,238.095356946,C11H14N2O4,NCC(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)",XBGGUPMXALFZOT,UHFFFAOYSA,N,Glycyl-Tyrosine,XBGGUPMXALFZOT-UHFFFAOYSA-N
HMDB28854,174.100442324,C7H14N2O3,CC(C)C(NC(=O)CN)C(O)=O,"InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)",STKYPAFSDFAEPH,UHFFFAOYSA,N,Glycyl-Valine,STKYPAFSDFAEPH-UHFFFAOYSA-N
HMDB28855,203.090605919,C7H13N3O4,NCC(=O)NC(=O)CCC(N)C(O)=O,"InChI=1S/C7H13N3O4/c8-3-6(12)10-5(11)2-1-4(9)7(13)14/h4H,1-3,8-9H2,(H,13,14)(H,10,11,12)",WNDNXCYHNXBXNK,UHFFFAOYSA,N,Glycyl-Gamma-glutamate,WNDNXCYHNXBXNK-UHFFFAOYSA-N
HMDB28856,202.095356946,C8H14N2O4,CC(NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C8H14N2O4/c1-4(8(13)14)10-7(12)6-2-5(11)3-9-6/h4-6,9,11H,2-3H2,1H3,(H,10,12)(H,13,14)",PHMGRHJWVYZMPA,UHFFFAOYSA,N,Hydroxyprolyl-Alanine,PHMGRHJWVYZMPA-UHFFFAOYSA-N
HMDB28857,287.159354185,C11H21N5O4,NC(=N)NCCCC(NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C11H21N5O4/c12-11(13)14-3-1-2-7(10(19)20)16-9(18)8-4-6(17)5-15-8/h6-8,15,17H,1-5H2,(H,16,18)(H,19,20)(H4,12,13,14)",AZDCVMCXGLWYHN,UHFFFAOYSA,N,Hydroxyprolyl-Arginine,AZDCVMCXGLWYHN-UHFFFAOYSA-N
HMDB28858,245.101170605,C9H15N3O5,NC(=O)CC(NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C9H15N3O5/c10-7(14)2-6(9(16)17)12-8(15)5-1-4(13)3-11-5/h4-6,11,13H,1-3H2,(H2,10,14)(H,12,15)(H,16,17)",GUZRMGFLLJQHCW,UHFFFAOYSA,N,Hydroxyprolyl-Asparagine,GUZRMGFLLJQHCW-UHFFFAOYSA-N
HMDB28860,234.067427636,C8H14N2O4S,OC1CNC(C1)C(=O)NC(CS)C(O)=O,"InChI=1S/C8H14N2O4S/c11-4-1-5(9-2-4)7(12)10-6(3-15)8(13)14/h4-6,9,11,15H,1-3H2,(H,10,12)(H,13,14)",DTCRAYVKSFZQIQ,UHFFFAOYSA,N,Hydroxyprolyl-Cysteine,DTCRAYVKSFZQIQ-UHFFFAOYSA-N
HMDB28861,259.116820669,C10H17N3O5,NC(=O)CCC(NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C10H17N3O5/c11-8(15)2-1-6(10(17)18)13-9(16)7-3-5(14)4-12-7/h5-7,12,14H,1-4H2,(H2,11,15)(H,13,16)(H,17,18)",BCLVLAZXTOULCD,UHFFFAOYSA,N,Hydroxyprolyl-Glutamine,BCLVLAZXTOULCD-UHFFFAOYSA-N
HMDB28862,259.093011222,C10H15N2O6,OC1CNC(C1)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C10H16N2O6/c13-5-3-7(11-4-5)9(16)12-6(10(17)18)1-2-8(14)15/h5-7,11,13H,1-4H2,(H,12,16)(H,14,15)(H,17,18)/p-1",ZVPLGKIMIRTBMQ,UHFFFAOYSA,M,Hydroxyprolyl-Glutamate,ZVPLGKIMIRTBMQ-UHFFFAOYSA-M
HMDB28864,244.105921632,C10H16N2O5,OC1CNC(C1)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C10H16N2O5/c13-5-1-7(11-3-5)9(15)12-4-6(14)2-8(12)10(16)17/h5-8,11,13-14H,1-4H2,(H,16,17)",HXWNRESJYUCPRA,UHFFFAOYSA,N,Hydroxyprolyl-Hydroxyproline,HXWNRESJYUCPRA-UHFFFAOYSA-N
HMDB28865,268.11715502,C11H16N4O4,OC1CNC(C1)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C11H16N4O4/c16-7-2-8(13-4-7)10(17)15-9(11(18)19)1-6-3-12-5-14-6/h3,5,7-9,13,16H,1-2,4H2,(H,12,14)(H,15,17)(H,18,19)",JZJSKYCAKGGJBO,UHFFFAOYSA,N,Hydroxyprolyl-Histidine,JZJSKYCAKGGJBO-UHFFFAOYSA-N
HMDB28866,244.142307138,C11H20N2O4,CCC(C)C(NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C11H20N2O4/c1-3-6(2)9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)",JKCPTRCNCMWJJG,UHFFFAOYSA,N,Hydroxyprolyl-Isoleucine,JKCPTRCNCMWJJG-UHFFFAOYSA-N
HMDB28867,244.142307138,C11H20N2O4,CC(C)CC(NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C11H20N2O4/c1-6(2)3-9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)",LQFJGLSIESIIOM,UHFFFAOYSA,N,Hydroxyprolyl-Leucine,LQFJGLSIESIIOM-UHFFFAOYSA-N
HMDB28868,259.153206175,C11H21N3O4,NCCCCC(NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C11H21N3O4/c12-4-2-1-3-8(11(17)18)14-10(16)9-5-7(15)6-13-9/h7-9,13,15H,1-6,12H2,(H,14,16)(H,17,18)",BXAQOKHDAYJQPA,UHFFFAOYSA,N,Hydroxyprolyl-Lysine,BXAQOKHDAYJQPA-UHFFFAOYSA-N
HMDB28869,262.098727764,C10H18N2O4S,CSCCC(NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C10H18N2O4S/c1-17-3-2-7(10(15)16)12-9(14)8-4-6(13)5-11-8/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)",XTTZAXBOUXWPAU,UHFFFAOYSA,N,Hydroxyprolyl-Methionine,XTTZAXBOUXWPAU-UHFFFAOYSA-N
HMDB28871,228.11100701,C10H16N2O4,OC1CNC(C1)C(=O)N1CCCC1C(O)=O,"InChI=1S/C10H16N2O4/c13-6-4-7(11-5-6)9(14)12-3-1-2-8(12)10(15)16/h6-8,11,13H,1-5H2,(H,15,16)",GIOMWAZJQDYWEU,UHFFFAOYSA,N,Hydroxyprolyl-Proline,GIOMWAZJQDYWEU-UHFFFAOYSA-N
HMDB28872,218.090271568,C8H14N2O5,OCC(NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)",UVSBYUFDCGZIMR,UHFFFAOYSA,N,Hydroxyprolyl-Serine,UVSBYUFDCGZIMR-UHFFFAOYSA-N
HMDB28873,232.105921632,C9H16N2O5,CC(O)C(NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-8(14)6-2-5(13)3-10-6/h4-7,10,12-13H,2-3H2,1H3,(H,11,14)(H,15,16)",HBWOJLKKRRLNRN,UHFFFAOYSA,N,Hydroxyprolyl-Threonine,HBWOJLKKRRLNRN-UHFFFAOYSA-N
HMDB28874,317.137556111,C16H19N3O4,OC1CNC(C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C16H19N3O4/c20-10-6-13(18-8-10)15(21)19-14(16(22)23)5-9-7-17-12-4-2-1-3-11(9)12/h1-4,7,10,13-14,17-18,20H,5-6,8H2,(H,19,21)(H,22,23)",PMCORMXOLUUGHL,UHFFFAOYSA,N,Hydroxyprolyl-Tryptophan,PMCORMXOLUUGHL-UHFFFAOYSA-N
HMDB28875,294.121571696,C14H18N2O5,OC1CNC(C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C14H18N2O5/c17-9-3-1-8(2-4-9)5-12(14(20)21)16-13(19)11-6-10(18)7-15-11/h1-4,10-12,15,17-18H,5-7H2,(H,16,19)(H,20,21)",KYOLCXJAAOGMSB,UHFFFAOYSA,N,Hydroxyprolyl-Tyrosine,KYOLCXJAAOGMSB-UHFFFAOYSA-N
HMDB28876,230.126657074,C10H18N2O4,CC(C)C(NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C10H18N2O4/c1-5(2)8(10(15)16)12-9(14)7-3-6(13)4-11-7/h5-8,11,13H,3-4H2,1-2H3,(H,12,14)(H,15,16)",OBSIPTVJSOCDLZ,UHFFFAOYSA,N,Hydroxyprolyl-Valine,OBSIPTVJSOCDLZ-UHFFFAOYSA-N
HMDB28877,259.116820669,C10H17N3O5,NC(CCC(=O)NC(=O)C1CC(O)CN1)C(O)=O,"InChI=1S/C10H17N3O5/c11-6(10(17)18)1-2-8(15)13-9(16)7-3-5(14)4-12-7/h5-7,12,14H,1-4,11H2,(H,17,18)(H,13,15,16)",NPKNLZYTSOWNFP,UHFFFAOYSA,N,Hydroxyprolyl-Gamma-glutamate,NPKNLZYTSOWNFP-UHFFFAOYSA-N
HMDB28878,226.106590334,C9H14N4O3,CC(NC(=O)C(N)CC1=CN=CN1)C(O)=O,"InChI=1S/C9H14N4O3/c1-5(9(15)16)13-8(14)7(10)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)",FRJIAZKQGSCKPQ,UHFFFAOYSA,N,Histidinyl-Alanine,FRJIAZKQGSCKPQ-UHFFFAOYSA-N
HMDB28879,311.170587573,C12H21N7O3,NC(CC1=CN=CN1)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C12H21N7O3/c13-8(4-7-5-16-6-18-7)10(20)19-9(11(21)22)2-1-3-17-12(14)15/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)",NIKBMHGRNAPJFW,UHFFFAOYSA,N,Histidinyl-Arginine,NIKBMHGRNAPJFW-UHFFFAOYSA-N
HMDB28880,269.112403993,C10H15N5O4,NC(CC1=CN=CN1)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C10H15N5O4/c11-6(1-5-3-13-4-14-5)9(17)15-7(10(18)19)2-8(12)16/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)",WSDOHRLQDGAOGU,UHFFFAOYSA,N,Histidinyl-Asparagine,WSDOHRLQDGAOGU-UHFFFAOYSA-N
HMDB28881,270.096419578,C10H14N4O5,NC(CC1=CN=CN1)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C10H14N4O5/c11-6(1-5-3-12-4-13-5)9(17)14-7(10(18)19)2-8(15)16/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)",MDCTVRUPVLZSPG,UHFFFAOYSA,N,Histidinyl-Aspartate,MDCTVRUPVLZSPG-UHFFFAOYSA-N
HMDB28882,258.078661024,C9H14N4O3S,NC(CC1=CN=CN1)C(=O)NC(CS)C(O)=O,"InChI=1S/C9H14N4O3S/c10-6(1-5-2-11-4-12-5)8(14)13-7(3-17)9(15)16/h2,4,6-7,17H,1,3,10H2,(H,11,12)(H,13,14)(H,15,16)",MAJYPBAJPNUFPV,UHFFFAOYSA,N,Histidinyl-Cysteine,MAJYPBAJPNUFPV-UHFFFAOYSA-N
HMDB28883,283.128054057,C11H17N5O4,NC(CC1=CN=CN1)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C11H17N5O4/c12-7(3-6-4-14-5-15-6)10(18)16-8(11(19)20)1-2-9(13)17/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)",CTCFZNBRZBNKAX,UHFFFAOYSA,N,Histidinyl-Glutamine,CTCFZNBRZBNKAX-UHFFFAOYSA-N
HMDB28884,283.10424461,C11H15N4O5,NC(CC1=CN=CN1)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C11H16N4O5/c12-7(3-6-4-13-5-14-6)10(18)15-8(11(19)20)1-2-9(16)17/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/p-1",VHOLZZKNEBBHTH,UHFFFAOYSA,M,Histidinyl-Glutamate,VHOLZZKNEBBHTH-UHFFFAOYSA-M
HMDB28885,212.09094027,C8H12N4O3,NC(CC1=CN=CN1)C(=O)NCC(O)=O,"InChI=1S/C8H12N4O3/c9-6(1-5-2-10-4-12-5)8(15)11-3-7(13)14/h2,4,6H,1,3,9H2,(H,10,12)(H,11,15)(H,13,14)",LYCVKHSJGDMDLM,UHFFFAOYSA,N,Histidinyl-Glycine,LYCVKHSJGDMDLM-UHFFFAOYSA-N
HMDB28886,268.11715502,C11H16N4O4,NC(CC1=CN=CN1)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C11H16N4O4/c12-8(1-6-3-13-5-14-6)10(17)15-4-7(16)2-9(15)11(18)19/h3,5,7-9,16H,1-2,4,12H2,(H,13,14)(H,18,19)",WEUKYXZXBBLBOY,UHFFFAOYSA,N,Histidinyl-Hydroxyproline,WEUKYXZXBBLBOY-UHFFFAOYSA-N
HMDB28887,292.128388408,C12H16N6O3,NC(CC1=CN=CN1)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C12H16N6O3/c13-9(1-7-3-14-5-16-7)11(19)18-10(12(20)21)2-8-4-15-6-17-8/h3-6,9-10H,1-2,13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)",SGCGMORCWLEJNZ,UHFFFAOYSA,N,Histidinyl-Histidine,SGCGMORCWLEJNZ-UHFFFAOYSA-N
HMDB28888,268.153540526,C12H20N4O3,CCC(C)C(NC(=O)C(N)CC1=CN=CN1)C(O)=O,"InChI=1S/C12H20N4O3/c1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)",IDXZDKMBEXLFMB,UHFFFAOYSA,N,Histidinyl-Isoleucine,IDXZDKMBEXLFMB-UHFFFAOYSA-N
HMDB28889,268.153540526,C12H20N4O3,CC(C)CC(NC(=O)C(N)CC1=CN=CN1)C(O)=O,"InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)",MMFKFJORZBJVNF,UHFFFAOYSA,N,Histidinyl-Leucine,MMFKFJORZBJVNF-UHFFFAOYSA-N
HMDB28890,283.164439563,C12H21N5O3,NCCCCC(NC(=O)C(N)CC1=CN=CN1)C(O)=O,"InChI=1S/C12H21N5O3/c13-4-2-1-3-10(12(19)20)17-11(18)9(14)5-8-6-15-7-16-8/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)",CZVQSYNVUHAILZ,UHFFFAOYSA,N,Histidinyl-Lysine,CZVQSYNVUHAILZ-UHFFFAOYSA-N
HMDB28891,286.109961152,C11H18N4O3S,CSCCC(NC(=O)C(N)CC1=CN=CN1)C(O)=O,"InChI=1S/C11H18N4O3S/c1-19-3-2-9(11(17)18)15-10(16)8(12)4-7-5-13-6-14-7/h5-6,8-9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)",AYIZHKDZYOSOGY,UHFFFAOYSA,N,Histidinyl-Methionine,AYIZHKDZYOSOGY-UHFFFAOYSA-N
HMDB28892,302.137890462,C15H18N4O3,NC(CC1=CN=CN1)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C15H18N4O3/c16-12(7-11-8-17-9-18-11)14(20)19-13(15(21)22)6-10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)",XMAUFHMAAVTODF,UHFFFAOYSA,N,Histidinyl-Phenylalanine,XMAUFHMAAVTODF-UHFFFAOYSA-N
HMDB28893,252.122240398,C11H16N4O3,NC(CC1=CN=CN1)C(=O)N1CCCC1C(O)=O,"InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)",LNCFUHAPNTYMJB,UHFFFAOYSA,N,Histidinyl-Proline,LNCFUHAPNTYMJB-UHFFFAOYSA-N
HMDB28894,242.101504956,C9H14N4O4,NC(CC1=CN=CN1)C(=O)NC(CO)C(O)=O,"InChI=1S/C9H14N4O4/c10-6(1-5-2-11-4-12-5)8(15)13-7(3-14)9(16)17/h2,4,6-7,14H,1,3,10H2,(H,11,12)(H,13,15)(H,16,17)",KRBMQYPTDYSENE,UHFFFAOYSA,N,Histidinyl-Serine,KRBMQYPTDYSENE-UHFFFAOYSA-N
HMDB28895,256.11715502,C10H16N4O4,CC(O)C(NC(=O)C(N)CC1=CN=CN1)C(O)=O,"InChI=1S/C10H16N4O4/c1-5(15)8(10(17)18)14-9(16)7(11)2-6-3-12-4-13-6/h3-5,7-8,15H,2,11H2,1H3,(H,12,13)(H,14,16)(H,17,18)",WRPDZHJNLYNFFT,UHFFFAOYSA,N,Histidinyl-Threonine,WRPDZHJNLYNFFT-UHFFFAOYSA-N
HMDB28896,341.148789499,C17H19N5O3,NC(CC1=CN=CN1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C17H19N5O3/c18-13(6-11-8-19-9-21-11)16(23)22-15(17(24)25)5-10-7-20-14-4-2-1-3-12(10)14/h1-4,7-9,13,15,20H,5-6,18H2,(H,19,21)(H,22,23)(H,24,25)",FBTYOQIYBULKEH,UHFFFAOYSA,N,Histidinyl-Tryptophan,FBTYOQIYBULKEH-UHFFFAOYSA-N
HMDB28897,318.132805084,C15H18N4O4,NC(CC1=CN=CN1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C15H18N4O4/c16-12(6-10-7-17-8-18-10)14(21)19-13(15(22)23)5-9-1-3-11(20)4-2-9/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)",HTOOKGDPMXSJSY,UHFFFAOYSA,N,Histidinyl-Tyrosine,HTOOKGDPMXSJSY-UHFFFAOYSA-N
HMDB28898,254.137890462,C11H18N4O3,CC(C)C(NC(=O)C(N)CC1=CN=CN1)C(O)=O,"InChI=1S/C11H18N4O3/c1-6(2)9(11(17)18)15-10(16)8(12)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)",VLDVBZICYBVQHB,UHFFFAOYSA,N,Histidinyl-Valine,VLDVBZICYBVQHB-UHFFFAOYSA-N
HMDB28899,283.128054057,C11H17N5O4,NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1)C(O)=O,"InChI=1S/C11H17N5O4/c12-7(11(19)20)1-2-9(17)16-10(18)8(13)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12-13H2,(H,14,15)(H,19,20)(H,16,17,18)",PFZUBGMULASFDW,UHFFFAOYSA,N,Histidinyl-Gamma-glutamate,PFZUBGMULASFDW-UHFFFAOYSA-N
HMDB28900,202.131742452,C9H18N2O3,CCC(C)C(N)C(=O)NC(C)C(O)=O,"InChI=1S/C9H18N2O3/c1-4-5(2)7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)",RCFDOSNHHZGBOY,UHFFFAOYSA,N,Isoleucyl-Alanine,RCFDOSNHHZGBOY-UHFFFAOYSA-N
HMDB28901,287.195739691,C12H25N5O3,CCC(C)C(N)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C12H25N5O3/c1-3-7(2)9(13)10(18)17-8(11(19)20)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)",HYXQKVOADYPQEA,UHFFFAOYSA,N,Isoleucyl-Arginine,HYXQKVOADYPQEA-UHFFFAOYSA-N
HMDB28902,245.137556111,C10H19N3O4,CCC(C)C(N)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C10H19N3O4/c1-3-5(2)8(12)9(15)13-6(10(16)17)4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)",HZYHBDVRCBDJJV,UHFFFAOYSA,N,Isoleucyl-Asparagine,HZYHBDVRCBDJJV-UHFFFAOYSA-N
HMDB28903,246.121571696,C10H18N2O5,CCC(C)C(N)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C10H18N2O5/c1-3-5(2)8(11)9(15)12-6(10(16)17)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)",WKXVAXOSIPTXEC,UHFFFAOYSA,N,Isoleucyl-Aspartate,WKXVAXOSIPTXEC-UHFFFAOYSA-N
HMDB28904,234.103813142,C9H18N2O3S,CCC(C)C(N)C(=O)NC(CS)C(O)=O,"InChI=1S/C9H18N2O3S/c1-3-5(2)7(10)8(12)11-6(4-15)9(13)14/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)",JSZMKEYEVLDPDO,UHFFFAOYSA,N,Isoleucyl-Cysteine,JSZMKEYEVLDPDO-UHFFFAOYSA-N
HMDB28905,259.153206175,C11H21N3O4,CCC(C)C(N)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-7(11(17)18)4-5-8(12)15/h6-7,9H,3-5,13H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)",CNPNWGHRMBQHBZ,UHFFFAOYSA,N,Isoleucyl-Glutamine,CNPNWGHRMBQHBZ-UHFFFAOYSA-N
HMDB28906,259.129396728,C11H19N2O5,CCC(C)C(N)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C11H20N2O5/c1-3-6(2)9(12)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/p-1",KTGFOCFYOZQVRJ,UHFFFAOYSA,M,Isoleucyl-Glutamate,KTGFOCFYOZQVRJ-UHFFFAOYSA-M
HMDB28907,188.116092388,C8H16N2O3,CCC(C)C(N)C(=O)NCC(O)=O,"InChI=1S/C8H16N2O3/c1-3-5(2)7(9)8(13)10-4-6(11)12/h5,7H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)",UCGDDTHMMVWVMV,UHFFFAOYSA,N,Isoleucyl-Glycine,UCGDDTHMMVWVMV-UHFFFAOYSA-N
HMDB28908,244.142307138,C11H20N2O4,CCC(C)C(N)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C11H20N2O4/c1-3-6(2)9(12)10(15)13-5-7(14)4-8(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)",IFZSZULHIWFRSB,UHFFFAOYSA,N,Isoleucyl-Hydroxyproline,IFZSZULHIWFRSB-UHFFFAOYSA-N
HMDB28909,268.153540526,C12H20N4O3,CCC(C)C(N)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)",QNBYCZTZNOVDMI,UHFFFAOYSA,N,Isoleucyl-Histidine,QNBYCZTZNOVDMI-UHFFFAOYSA-N
HMDB28910,244.178692644,C12H24N2O3,CCC(C)C(N)C(=O)NC(C(C)CC)C(O)=O,"InChI=1S/C12H24N2O3/c1-5-7(3)9(13)11(15)14-10(12(16)17)8(4)6-2/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)",BCVIOZZGJNOEQS,UHFFFAOYSA,N,Isoleucyl-Isoleucine,BCVIOZZGJNOEQS-UHFFFAOYSA-N
HMDB28911,244.178692644,C12H24N2O3,CCC(C)C(N)C(=O)NC(CC(C)C)C(O)=O,"InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)",JWBXCSQZLLIOCI,UHFFFAOYSA,N,Isoleucyl-Leucine,JWBXCSQZLLIOCI-UHFFFAOYSA-N
HMDB28912,259.189591681,C12H25N3O3,CCC(C)C(N)C(=O)NC(CCCCN)C(O)=O,"InChI=1S/C12H25N3O3/c1-3-8(2)10(14)11(16)15-9(12(17)18)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)",UWBDLNOCIDGPQE,UHFFFAOYSA,N,Isoleucyl-Lysine,UWBDLNOCIDGPQE-UHFFFAOYSA-N
HMDB28913,262.13511327,C11H22N2O3S,CCC(C)C(N)C(=O)NC(CCSC)C(O)=O,"InChI=1S/C11H22N2O3S/c1-4-7(2)9(12)10(14)13-8(11(15)16)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)",TUYOFUHICRWDGA,UHFFFAOYSA,N,Isoleucyl-Methionine,TUYOFUHICRWDGA-UHFFFAOYSA-N
HMDB28914,278.16304258,C15H22N2O3,CCC(C)C(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C15H22N2O3/c1-3-10(2)13(16)14(18)17-12(15(19)20)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20)",WMDZARSFSMZOQO,UHFFFAOYSA,N,Isoleucyl-Phenylalanine,WMDZARSFSMZOQO-UHFFFAOYSA-N
HMDB28915,228.147392516,C11H20N2O3,CCC(C)C(N)C(=O)N1CCCC1C(O)=O,"InChI=1S/C11H20N2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)",BBIXOODYWPFNDT,UHFFFAOYSA,N,Isoleucyl-Proline,BBIXOODYWPFNDT-UHFFFAOYSA-N
HMDB28916,218.126657074,C9H18N2O4,CCC(C)C(N)C(=O)NC(CO)C(O)=O,"InChI=1S/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)",TWVKGYNQQAUNRN,UHFFFAOYSA,N,Isoleucyl-Serine,TWVKGYNQQAUNRN-UHFFFAOYSA-N
HMDB28917,232.142307138,C10H20N2O4,CCC(C)C(N)C(=O)NC(C(C)O)C(O)=O,"InChI=1S/C10H20N2O4/c1-4-5(2)7(11)9(14)12-8(6(3)13)10(15)16/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)",DRCKHKZYDLJYFQ,UHFFFAOYSA,N,Isoleucyl-Threonine,DRCKHKZYDLJYFQ-UHFFFAOYSA-N
HMDB28918,317.173941617,C17H23N3O3,CCC(C)C(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C17H23N3O3/c1-3-10(2)15(18)16(21)20-14(17(22)23)8-11-9-19-13-7-5-4-6-12(11)13/h4-7,9-10,14-15,19H,3,8,18H2,1-2H3,(H,20,21)(H,22,23)",BVRPESWOSNFUCJ,UHFFFAOYSA,N,Isoleucyl-Tryptophan,BVRPESWOSNFUCJ-UHFFFAOYSA-N
HMDB28919,294.157957202,C15H22N2O4,CCC(C)C(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)",MUFXDFWAJSPHIQ,UHFFFAOYSA,N,Isoleucyl-Tyrosine,MUFXDFWAJSPHIQ-UHFFFAOYSA-N
HMDB28920,230.16304258,C11H22N2O3,CCC(C)C(N)C(=O)NC(C(C)C)C(O)=O,"InChI=1S/C11H22N2O3/c1-5-7(4)8(12)10(14)13-9(6(2)3)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)",BCXBIONYYJCSDF,UHFFFAOYSA,N,Isoleucyl-Valine,BCXBIONYYJCSDF-UHFFFAOYSA-N
HMDB28921,259.153206175,C11H21N3O4,CCC(C)C(N)C(=O)NC(=O)CCC(N)C(O)=O,"InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-8(15)5-4-7(12)11(17)18/h6-7,9H,3-5,12-13H2,1-2H3,(H,17,18)(H,14,15,16)",PFUZINYUQIJPNG,UHFFFAOYSA,N,Isoleucyl-Gamma-glutamate,PFUZINYUQIJPNG-UHFFFAOYSA-N
HMDB28922,202.131742452,C9H18N2O3,CC(C)CC(N)C(=O)NC(C)C(O)=O,"InChI=1S/C9H18N2O3/c1-5(2)4-7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)",HSQGMTRYSIHDAC,UHFFFAOYSA,N,Leucyl-Alanine,HSQGMTRYSIHDAC-UHFFFAOYSA-N
HMDB28923,287.195739691,C12H25N5O3,CC(C)CC(N)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C12H25N5O3/c1-7(2)6-8(13)10(18)17-9(11(19)20)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)",SENJXOPIZNYLHU,UHFFFAOYSA,N,Leucyl-Arginine,SENJXOPIZNYLHU-UHFFFAOYSA-N
HMDB28924,245.137556111,C10H19N3O4,CC(C)CC(N)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C10H19N3O4/c1-5(2)3-6(11)9(15)13-7(10(16)17)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)",MLTRLIITQPXHBJ,UHFFFAOYSA,N,Leucyl-Asparagine,MLTRLIITQPXHBJ-UHFFFAOYSA-N
HMDB28925,246.121571696,C10H18N2O5,CC(C)CC(N)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C10H18N2O5/c1-5(2)3-6(11)9(15)12-7(10(16)17)4-8(13)14/h5-7H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)",DVCSNHXRZUVYAM,UHFFFAOYSA,N,Leucyl-Aspartate,DVCSNHXRZUVYAM-UHFFFAOYSA-N
HMDB28926,234.103813142,C9H18N2O3S,CC(C)CC(N)C(=O)NC(CS)C(O)=O,"InChI=1S/C9H18N2O3S/c1-5(2)3-6(10)8(12)11-7(4-15)9(13)14/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)",HIZYETOZLYFUFF,UHFFFAOYSA,N,Leucyl-Cysteine,HIZYETOZLYFUFF-UHFFFAOYSA-N
HMDB28927,259.153206175,C11H21N3O4,CC(C)CC(N)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C11H21N3O4/c1-6(2)5-7(12)10(16)14-8(11(17)18)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)",JYOAXOMPIXKMKK,UHFFFAOYSA,N,Leucyl-Glutamine,JYOAXOMPIXKMKK-UHFFFAOYSA-N
HMDB28928,259.129396728,C11H19N2O5,CC(C)CC(N)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C11H20N2O5/c1-6(2)5-7(12)10(16)13-8(11(17)18)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/p-1",NFNVDJGXRFEYTK,UHFFFAOYSA,M,Leucyl-Glutamate,NFNVDJGXRFEYTK-UHFFFAOYSA-M
HMDB28929,188.116092388,C8H16N2O3,CC(C)CC(N)C(=O)NCC(O)=O,"InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)",LESXFEZIFXFIQR,UHFFFAOYSA,N,Leucyl-Glycine,LESXFEZIFXFIQR-UHFFFAOYSA-N
HMDB28930,244.142307138,C11H20N2O4,CC(C)CC(N)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C11H20N2O4/c1-6(2)3-8(12)10(15)13-5-7(14)4-9(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)",JCCZCUUYYHWRGX,UHFFFAOYSA,N,Leucyl-Hydroxyproline,JCCZCUUYYHWRGX-UHFFFAOYSA-N
HMDB28931,268.153540526,C12H20N4O3,CC(C)CC(N)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C12H20N4O3/c1-7(2)3-9(13)11(17)16-10(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)",XWOBNBRUDDUEEY,UHFFFAOYSA,N,Leucyl-Histidine,XWOBNBRUDDUEEY-UHFFFAOYSA-N
HMDB28932,244.178692644,C12H24N2O3,CCC(C)C(NC(=O)C(N)CC(C)C)C(O)=O,"InChI=1S/C12H24N2O3/c1-5-8(4)10(12(16)17)14-11(15)9(13)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)",AZLASBBHHSLQDB,UHFFFAOYSA,N,Leucyl-Isoleucine,AZLASBBHHSLQDB-UHFFFAOYSA-N
HMDB28933,244.178692644,C12H24N2O3,CC(C)CC(N)C(=O)NC(CC(C)C)C(O)=O,"InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)",LCPYQJIKPJDLLB,UHFFFAOYSA,N,Leucyl-Leucine,LCPYQJIKPJDLLB-UHFFFAOYSA-N
HMDB28934,259.189591681,C12H25N3O3,CC(C)CC(N)C(=O)NC(CCCCN)C(O)=O,"InChI=1S/C12H25N3O3/c1-8(2)7-9(14)11(16)15-10(12(17)18)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)",OTXBNHIUIHNGAO,UHFFFAOYSA,N,Leucyl-Lysine,OTXBNHIUIHNGAO-UHFFFAOYSA-N
HMDB28935,262.13511327,C11H22N2O3S,CSCCC(NC(=O)C(N)CC(C)C)C(O)=O,"InChI=1S/C11H22N2O3S/c1-7(2)6-8(12)10(14)13-9(11(15)16)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)",NTISAKGPIGTIJJ,UHFFFAOYSA,N,Leucyl-Methionine,NTISAKGPIGTIJJ-UHFFFAOYSA-N
HMDB28937,228.147392516,C11H20N2O3,CC(C)CC(N)C(=O)N1CCCC1C(O)=O,"InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)",VTJUNIYRYIAIHF,UHFFFAOYSA,N,Leucyl-Proline,VTJUNIYRYIAIHF-UHFFFAOYSA-N
HMDB28938,218.126657074,C9H18N2O4,CC(C)CC(N)C(=O)NC(CO)C(O)=O,"InChI=1S/C9H18N2O4/c1-5(2)3-6(10)8(13)11-7(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)",XGDCYUQSFDQISZ,UHFFFAOYSA,N,Leucyl-Serine,XGDCYUQSFDQISZ-UHFFFAOYSA-N
HMDB28939,232.142307138,C10H20N2O4,CC(C)CC(N)C(=O)NC(C(C)O)C(O)=O,"InChI=1S/C10H20N2O4/c1-5(2)4-7(11)9(14)12-8(6(3)13)10(15)16/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)",LRKCBIUDWAXNEG,UHFFFAOYSA,N,Leucyl-Threonine,LRKCBIUDWAXNEG-UHFFFAOYSA-N
HMDB28940,317.173941617,C17H23N3O3,CC(C)CC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C17H23N3O3/c1-10(2)7-13(18)16(21)20-15(17(22)23)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)",BQVUABVGYYSDCJ,UHFFFAOYSA,N,Leucyl-Tryptophan,BQVUABVGYYSDCJ-UHFFFAOYSA-N
HMDB28941,294.157957202,C15H22N2O4,CC(C)CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C15H22N2O4/c1-9(2)7-12(16)14(19)17-13(15(20)21)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)",LHSGPCFBGJHPCY,UHFFFAOYSA,N,Leucyl-Tyrosine,LHSGPCFBGJHPCY-UHFFFAOYSA-N
HMDB28942,230.16304258,C11H22N2O3,CC(C)CC(N)C(=O)NC(C(C)C)C(O)=O,"InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)",MDSUKZSLOATHMH,UHFFFAOYSA,N,Leucyl-Valine,MDSUKZSLOATHMH-UHFFFAOYSA-N
HMDB28943,259.153206175,C11H21N3O4,CC(C)CC(N)C(=O)NC(=O)CCC(N)C(O)=O,"InChI=1S/C11H21N3O4/c1-6(2)5-8(13)10(16)14-9(15)4-3-7(12)11(17)18/h6-8H,3-5,12-13H2,1-2H3,(H,17,18)(H,14,15,16)",GSRPWCGECLOSNH,UHFFFAOYSA,N,Leucyl-Gamma-glutamate,GSRPWCGECLOSNH-UHFFFAOYSA-N
HMDB28944,217.142641489,C9H19N3O3,CC(NC(=O)C(N)CCCCN)C(O)=O,"InChI=1S/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)",QOOWRKBDDXQRHC,UHFFFAOYSA,N,Lysyl-Alanine,QOOWRKBDDXQRHC-UHFFFAOYSA-N
HMDB28945,302.206638728,C12H26N6O3,NCCCCC(N)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C12H26N6O3/c13-6-2-1-4-8(14)10(19)18-9(11(20)21)5-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)",NPBGTPKLVJEOBE,UHFFFAOYSA,N,Lysyl-Arginine,NPBGTPKLVJEOBE-UHFFFAOYSA-N
HMDB28946,260.148455148,C10H20N4O4,NCCCCC(N)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C10H20N4O4/c11-4-2-1-3-6(12)9(16)14-7(10(17)18)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)",JPNRPAJITHRXRH,UHFFFAOYSA,N,Lysyl-Asparagine,JPNRPAJITHRXRH-UHFFFAOYSA-N
HMDB28947,261.132470733,C10H19N3O5,NCCCCC(N)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C10H19N3O5/c11-4-2-1-3-6(12)9(16)13-7(10(17)18)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)",CIOWSLJGLSUOME,UHFFFAOYSA,N,Lysyl-Aspartate,CIOWSLJGLSUOME-UHFFFAOYSA-N
HMDB28948,249.114712179,C9H19N3O3S,NCCCCC(N)C(=O)NC(CS)C(O)=O,"InChI=1S/C9H19N3O3S/c10-4-2-1-3-6(11)8(13)12-7(5-16)9(14)15/h6-7,16H,1-5,10-11H2,(H,12,13)(H,14,15)",QBGPXOGXCVKULO,UHFFFAOYSA,N,Lysyl-Cysteine,QBGPXOGXCVKULO-UHFFFAOYSA-N
HMDB28949,274.164105212,C11H22N4O4,NCCCCC(N)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-8(11(18)19)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)",OAPNERBWQWUPTI,UHFFFAOYSA,N,Lysyl-Glutamine,OAPNERBWQWUPTI-UHFFFAOYSA-N
HMDB28950,274.140295765,C11H20N3O5,NCCCCC(N)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C11H21N3O5/c12-6-2-1-3-7(13)10(17)14-8(11(18)19)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/p-1",UGTZHPSKYRIGRJ,UHFFFAOYSA,M,Lysyl-Glutamate,UGTZHPSKYRIGRJ-UHFFFAOYSA-M
HMDB28951,203.126991425,C8H17N3O3,NCCCCC(N)C(=O)NCC(O)=O,"InChI=1S/C8H17N3O3/c9-4-2-1-3-6(10)8(14)11-5-7(12)13/h6H,1-5,9-10H2,(H,11,14)(H,12,13)",HGNRJCINZYHNOU,UHFFFAOYSA,N,Lysyl-Glycine,HGNRJCINZYHNOU-UHFFFAOYSA-N
HMDB28952,259.153206175,C11H21N3O4,NCCCCC(N)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C11H21N3O4/c12-4-2-1-3-8(13)10(16)14-6-7(15)5-9(14)11(17)18/h7-9,15H,1-6,12-13H2,(H,17,18)",BFDLYDRHDPSQHM,UHFFFAOYSA,N,Lysyl-Hydroxyproline,BFDLYDRHDPSQHM-UHFFFAOYSA-N
HMDB28953,283.164439563,C12H21N5O3,NCCCCC(N)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C12H21N5O3/c13-4-2-1-3-9(14)11(18)17-10(12(19)20)5-8-6-15-7-16-8/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)",IGRMTQMIDNDFAA,UHFFFAOYSA,N,Lysyl-Histidine,IGRMTQMIDNDFAA-UHFFFAOYSA-N
HMDB28954,259.189591681,C12H25N3O3,CCC(C)C(NC(=O)C(N)CCCCN)C(O)=O,"InChI=1S/C12H25N3O3/c1-3-8(2)10(12(17)18)15-11(16)9(14)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)",FMIIKPHLJKUXGE,UHFFFAOYSA,N,Lysyl-Isoleucine,FMIIKPHLJKUXGE-UHFFFAOYSA-N
HMDB28955,259.189591681,C12H25N3O3,CC(C)CC(NC(=O)C(N)CCCCN)C(O)=O,"InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)",ATIPDCIQTUXABX,UHFFFAOYSA,N,Lysyl-Leucine,ATIPDCIQTUXABX-UHFFFAOYSA-N
HMDB28956,274.200490718,C12H26N4O3,NCCCCC(N)C(=O)NC(CCCCN)C(O)=O,"InChI=1S/C12H26N4O3/c13-7-3-1-5-9(15)11(17)16-10(12(18)19)6-2-4-8-14/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19)",NVGBPTNZLWRQSY,UHFFFAOYSA,N,Lysyl-Lysine,NVGBPTNZLWRQSY-UHFFFAOYSA-N
HMDB28957,277.146012307,C11H23N3O3S,CSCCC(NC(=O)C(N)CCCCN)C(O)=O,"InChI=1S/C11H23N3O3S/c1-18-7-5-9(11(16)17)14-10(15)8(13)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)",XBZOQGHZGQLEQO,UHFFFAOYSA,N,Lysyl-Methionine,XBZOQGHZGQLEQO-UHFFFAOYSA-N
HMDB28958,293.173941617,C15H23N3O3,NCCCCC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C15H23N3O3/c16-9-5-4-8-12(17)14(19)18-13(15(20)21)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,16-17H2,(H,18,19)(H,20,21)",QCZYYEFXOBKCNQ,UHFFFAOYSA,N,Lysyl-Phenylalanine,QCZYYEFXOBKCNQ-UHFFFAOYSA-N
HMDB28959,243.158291553,C11H21N3O3,NCCCCC(N)C(=O)N1CCCC1C(O)=O,"InChI=1S/C11H21N3O3/c12-6-2-1-4-8(13)10(15)14-7-3-5-9(14)11(16)17/h8-9H,1-7,12-13H2,(H,16,17)",AIXUQKMMBQJZCU,UHFFFAOYSA,N,Lysyl-Proline,AIXUQKMMBQJZCU-UHFFFAOYSA-N
HMDB28960,233.137556111,C9H19N3O4,NCCCCC(N)C(=O)NC(CO)C(O)=O,"InChI=1S/C9H19N3O4/c10-4-2-1-3-6(11)8(14)12-7(5-13)9(15)16/h6-7,13H,1-5,10-11H2,(H,12,14)(H,15,16)",YSZNURNVYFUEHC,UHFFFAOYSA,N,Lysyl-Serine,YSZNURNVYFUEHC-UHFFFAOYSA-N
HMDB28961,247.153206175,C10H21N3O4,CC(O)C(NC(=O)C(N)CCCCN)C(O)=O,"InChI=1S/C10H21N3O4/c1-6(14)8(10(16)17)13-9(15)7(12)4-2-3-5-11/h6-8,14H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)",ZOKVLMBYDSIDKG,UHFFFAOYSA,N,Lysyl-Threonine,ZOKVLMBYDSIDKG-UHFFFAOYSA-N
HMDB28962,332.184840654,C17H24N4O3,NCCCCC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C17H24N4O3/c18-8-4-3-6-13(19)16(22)21-15(17(23)24)9-11-10-20-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,15,20H,3-4,6,8-9,18-19H2,(H,21,22)(H,23,24)",RVKIPWVMZANZLI,UHFFFAOYSA,N,Lysyl-Tryptophan,RVKIPWVMZANZLI-UHFFFAOYSA-N
HMDB28963,309.168856239,C15H23N3O4,NCCCCC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C15H23N3O4/c16-8-2-1-3-12(17)14(20)18-13(15(21)22)9-10-4-6-11(19)7-5-10/h4-7,12-13,19H,1-3,8-9,16-17H2,(H,18,20)(H,21,22)",MYTOTTSMVMWVJN,UHFFFAOYSA,N,Lysyl-Tyrosine,MYTOTTSMVMWVJN-UHFFFAOYSA-N
HMDB28964,245.173941617,C11H23N3O3,CC(C)C(NC(=O)C(N)CCCCN)C(O)=O,"InChI=1S/C11H23N3O3/c1-7(2)9(11(16)17)14-10(15)8(13)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)",YQAIUOWPSUOINN,UHFFFAOYSA,N,Lysyl-Valine,YQAIUOWPSUOINN-UHFFFAOYSA-N
HMDB28965,274.164105212,C11H22N4O4,NCCCCC(N)C(=O)NC(=O)CCC(N)C(O)=O,"InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-9(16)5-4-8(14)11(18)19/h7-8H,1-6,12-14H2,(H,18,19)(H,15,16,17)",MEFNTMKESSGLSP,UHFFFAOYSA,N,Lysyl-Gamma-glutamate,MEFNTMKESSGLSP-UHFFFAOYSA-N
HMDB28966,220.088163078,C8H16N2O3S,CSCCC(N)C(=O)NC(C)C(O)=O,"InChI=1S/C8H16N2O3S/c1-5(8(12)13)10-7(11)6(9)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)",JHKXZYLNVJRAAJ,UHFFFAOYSA,N,Methionyl-Alanine,JHKXZYLNVJRAAJ-UHFFFAOYSA-N
HMDB28967,305.152160317,C11H23N5O3S,CSCCC(N)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C11H23N5O3S/c1-20-6-4-7(12)9(17)16-8(10(18)19)3-2-5-15-11(13)14/h7-8H,2-6,12H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15)",UASDAHIAHBRZQV,UHFFFAOYSA,N,Methionyl-Arginine,UASDAHIAHBRZQV-UHFFFAOYSA-N
HMDB28968,263.093976737,C9H17N3O4S,CSCCC(N)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C9H17N3O4S/c1-17-3-2-5(10)8(14)12-6(9(15)16)4-7(11)13/h5-6H,2-4,10H2,1H3,(H2,11,13)(H,12,14)(H,15,16)",JMEWFDUAFKVAAT,UHFFFAOYSA,N,Methionyl-Asparagine,JMEWFDUAFKVAAT-UHFFFAOYSA-N
HMDB28969,264.077992322,C9H16N2O5S,CSCCC(N)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)",QTZXSYBVOSXBEJ,UHFFFAOYSA,N,Methionyl-Aspartate,QTZXSYBVOSXBEJ-UHFFFAOYSA-N
HMDB28970,252.060233768,C8H16N2O3S2,CSCCC(N)C(=O)NC(CS)C(O)=O,"InChI=1S/C8H16N2O3S2/c1-15-3-2-5(9)7(11)10-6(4-14)8(12)13/h5-6,14H,2-4,9H2,1H3,(H,10,11)(H,12,13)",NDYNTQWSJLPEMK,UHFFFAOYSA,N,Methionyl-Cysteine,NDYNTQWSJLPEMK-UHFFFAOYSA-N
HMDB28971,277.109626801,C10H19N3O4S,CSCCC(N)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C10H19N3O4S/c1-18-5-4-6(11)9(15)13-7(10(16)17)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)",MUMXFARPYQTTSL,UHFFFAOYSA,N,Methionyl-Glutamine,MUMXFARPYQTTSL-UHFFFAOYSA-N
HMDB28972,277.085817354,C10H17N2O5S,CSCCC(N)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C10H18N2O5S/c1-18-5-4-6(11)9(15)12-7(10(16)17)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/p-1",ADHNYKZHPOEULM,UHFFFAOYSA,M,Methionyl-Glutamate,ADHNYKZHPOEULM-UHFFFAOYSA-M
HMDB28973,206.072513014,C7H14N2O3S,CSCCC(N)C(=O)NCC(O)=O,"InChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)",QXOHLNCNYLGICT,UHFFFAOYSA,N,Methionyl-Glycine,QXOHLNCNYLGICT-UHFFFAOYSA-N
HMDB28974,262.098727764,C10H18N2O4S,CSCCC(N)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C10H18N2O4S/c1-17-3-2-7(11)9(14)12-5-6(13)4-8(12)10(15)16/h6-8,13H,2-5,11H2,1H3,(H,15,16)",SQTUSSZUUTULQX,UHFFFAOYSA,N,Methionyl-Hydroxyproline,SQTUSSZUUTULQX-UHFFFAOYSA-N
HMDB28975,286.109961152,C11H18N4O3S,CSCCC(N)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C11H18N4O3S/c1-19-3-2-8(12)10(16)15-9(11(17)18)4-7-5-13-6-14-7/h5-6,8-9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)",MWAYJIAKVUBKKP,UHFFFAOYSA,N,Methionyl-Histidine,MWAYJIAKVUBKKP-UHFFFAOYSA-N
HMDB28976,262.13511327,C11H22N2O3S,CCC(C)C(NC(=O)C(N)CCSC)C(O)=O,"InChI=1S/C11H22N2O3S/c1-4-7(2)9(11(15)16)13-10(14)8(12)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)",OGGRSJFVXREKOR,UHFFFAOYSA,N,Methionyl-Isoleucine,OGGRSJFVXREKOR-UHFFFAOYSA-N
HMDB28977,262.13511327,C11H22N2O3S,CSCCC(N)C(=O)NC(CC(C)C)C(O)=O,"InChI=1S/C11H22N2O3S/c1-7(2)6-9(11(15)16)13-10(14)8(12)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)",PBOUVYGPDSARIS,UHFFFAOYSA,N,Methionyl-Leucine,PBOUVYGPDSARIS-UHFFFAOYSA-N
HMDB28978,277.146012307,C11H23N3O3S,CSCCC(N)C(=O)NC(CCCCN)C(O)=O,"InChI=1S/C11H23N3O3S/c1-18-7-5-8(13)10(15)14-9(11(16)17)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)",IMTUWVJPCQPJEE,UHFFFAOYSA,N,Methionyl-Lysine,IMTUWVJPCQPJEE-UHFFFAOYSA-N
HMDB28979,280.091533896,C10H20N2O3S2,CSCCC(N)C(=O)NC(CCSC)C(O)=O,"InChI=1S/C10H20N2O3S2/c1-16-5-3-7(11)9(13)12-8(10(14)15)4-6-17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)",ZYTPOUNUXRBYGW,UHFFFAOYSA,N,Methionyl-Methionine,ZYTPOUNUXRBYGW-UHFFFAOYSA-N
HMDB28980,296.119463206,C14H20N2O3S,CSCCC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C14H20N2O3S/c1-20-8-7-11(15)13(17)16-12(14(18)19)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)",HGCNKOLVKRAVHD,UHFFFAOYSA,N,Methionyl-Phenylalanine,HGCNKOLVKRAVHD-UHFFFAOYSA-N
HMDB28981,246.103813142,C10H18N2O3S,CSCCC(N)C(=O)N1CCCC1C(O)=O,"InChI=1S/C10H18N2O3S/c1-16-6-4-7(11)9(13)12-5-2-3-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)",DZMGFGQBRYWJOR,UHFFFAOYSA,N,Methionyl-Proline,DZMGFGQBRYWJOR-UHFFFAOYSA-N
HMDB28982,236.0830777,C8H16N2O4S,CSCCC(N)C(=O)NC(CO)C(O)=O,"InChI=1S/C8H16N2O4S/c1-15-3-2-5(9)7(12)10-6(4-11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)",WEDDFMCSUNNZJR,UHFFFAOYSA,N,Methionyl-Serine,WEDDFMCSUNNZJR-UHFFFAOYSA-N
HMDB28983,250.098727764,C9H18N2O4S,CSCCC(N)C(=O)NC(C(C)O)C(O)=O,"InChI=1S/C9H18N2O4S/c1-5(12)7(9(14)15)11-8(13)6(10)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)",KAKJTZWHIUWTTD,UHFFFAOYSA,N,Methionyl-Threonine,KAKJTZWHIUWTTD-UHFFFAOYSA-N
HMDB28984,335.130362243,C16H21N3O3S,CSCCC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C16H21N3O3S/c1-23-7-6-12(17)15(20)19-14(16(21)22)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)",XYVRXLDSCKEYES,UHFFFAOYSA,N,Methionyl-Tryptophan,XYVRXLDSCKEYES-UHFFFAOYSA-N
HMDB28985,312.114377828,C14H20N2O4S,CSCCC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C14H20N2O4S/c1-21-7-6-11(15)13(18)16-12(14(19)20)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)",PESQCPHRXOFIPX,UHFFFAOYSA,N,Methionyl-Tyrosine,PESQCPHRXOFIPX-UHFFFAOYSA-N
HMDB28986,248.119463206,C10H20N2O3S,CSCCC(N)C(=O)NC(C(C)C)C(O)=O,"InChI=1S/C10H20N2O3S/c1-6(2)8(10(14)15)12-9(13)7(11)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)",BJFJQOMZCSHBMY,UHFFFAOYSA,N,Methionyl-Valine,BJFJQOMZCSHBMY-UHFFFAOYSA-N
HMDB28987,277.109626801,C10H19N3O4S,CSCCC(N)C(=O)NC(=O)CCC(N)C(O)=O,"InChI=1S/C10H19N3O4S/c1-18-5-4-6(11)9(15)13-8(14)3-2-7(12)10(16)17/h6-7H,2-5,11-12H2,1H3,(H,16,17)(H,13,14,15)",YVSZXQHOADMOLO,UHFFFAOYSA,N,Methionyl-Gamma-glutamate,YVSZXQHOADMOLO-UHFFFAOYSA-N
HMDB28988,236.116092388,C12H16N2O3,CC(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)",MIDZLCFIAINOQN,UHFFFAOYSA,N,Phenylalanyl-Alanine,MIDZLCFIAINOQN-UHFFFAOYSA-N
HMDB28989,321.180089627,C15H23N5O3,NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C15H23N5O3/c16-11(9-10-5-2-1-3-6-10)13(21)20-12(14(22)23)7-4-8-19-15(17)18/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19)",OZILORBBPKKGRI,UHFFFAOYSA,N,Phenylalanyl-Arginine,OZILORBBPKKGRI-UHFFFAOYSA-N
HMDB28990,279.121906047,C13H17N3O4,NC(CC1=CC=CC=C1)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C13H17N3O4/c14-9(6-8-4-2-1-3-5-8)12(18)16-10(13(19)20)7-11(15)17/h1-5,9-10H,6-7,14H2,(H2,15,17)(H,16,18)(H,19,20)",BXNGIHFNNNSEOS,UHFFFAOYSA,N,Phenylalanyl-Asparagine,BXNGIHFNNNSEOS-UHFFFAOYSA-N
HMDB28991,280.105921632,C13H16N2O5,NC(CC1=CC=CC=C1)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C13H16N2O5/c14-9(6-8-4-2-1-3-5-8)12(18)15-10(13(19)20)7-11(16)17/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)",HWMGTNOVUDIKRE,UHFFFAOYSA,N,Phenylalanyl-Aspartate,HWMGTNOVUDIKRE-UHFFFAOYSA-N
HMDB28992,268.088163078,C12H16N2O3S,NC(CC1=CC=CC=C1)C(=O)NC(CS)C(O)=O,"InChI=1S/C12H16N2O3S/c13-9(6-8-4-2-1-3-5-8)11(15)14-10(7-18)12(16)17/h1-5,9-10,18H,6-7,13H2,(H,14,15)(H,16,17)",KNPVDQMEHSCAGX,UHFFFAOYSA,N,Phenylalanyl-Cysteine,KNPVDQMEHSCAGX-UHFFFAOYSA-N
HMDB28993,293.137556111,C14H19N3O4,NC(CC1=CC=CC=C1)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C14H19N3O4/c15-10(8-9-4-2-1-3-5-9)13(19)17-11(14(20)21)6-7-12(16)18/h1-5,10-11H,6-8,15H2,(H2,16,18)(H,17,19)(H,20,21)",KLAONOISLHWJEE,UHFFFAOYSA,N,Phenylalanyl-Glutamine,KLAONOISLHWJEE-UHFFFAOYSA-N
HMDB28994,293.113746664,C14H17N2O5,NC(CC1=CC=CC=C1)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C14H18N2O5/c15-10(8-9-4-2-1-3-5-9)13(19)16-11(14(20)21)6-7-12(17)18/h1-5,10-11H,6-8,15H2,(H,16,19)(H,17,18)(H,20,21)/p-1",JXWLMUIXUXLIJR,UHFFFAOYSA,M,Phenylalanyl-Glutamate,JXWLMUIXUXLIJR-UHFFFAOYSA-M
HMDB28995,222.100442324,C11H14N2O3,NC(CC1=CC=CC=C1)C(=O)NCC(O)=O,"InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)",GLUBLISJVJFHQS,UHFFFAOYSA,N,Phenylalanyl-Glycine,GLUBLISJVJFHQS-UHFFFAOYSA-N
HMDB28996,278.126657074,C14H18N2O4,NC(CC1=CC=CC=C1)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C14H18N2O4/c15-11(6-9-4-2-1-3-5-9)13(18)16-8-10(17)7-12(16)14(19)20/h1-5,10-12,17H,6-8,15H2,(H,19,20)",WJSNJMXOBDSZDL,UHFFFAOYSA,N,Phenylalanyl-Hydroxyproline,WJSNJMXOBDSZDL-UHFFFAOYSA-N
HMDB28997,302.137890462,C15H18N4O3,NC(CC1=CC=CC=C1)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C15H18N4O3/c16-12(6-10-4-2-1-3-5-10)14(20)19-13(15(21)22)7-11-8-17-9-18-11/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)",OHUXOEXBXPZKPT,UHFFFAOYSA,N,Phenylalanyl-Histidine,OHUXOEXBXPZKPT-UHFFFAOYSA-N
HMDB28998,278.16304258,C15H22N2O3,CCC(C)C(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C15H22N2O3/c1-3-10(2)13(15(19)20)17-14(18)12(16)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20)",JWBLQDDHSDGEGR,UHFFFAOYSA,N,Phenylalanyl-Isoleucine,JWBLQDDHSDGEGR-UHFFFAOYSA-N
HMDB29000,293.173941617,C15H23N3O3,NCCCCC(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C15H23N3O3/c16-9-5-4-8-13(15(20)21)18-14(19)12(17)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,16-17H2,(H,18,19)(H,20,21)",FADYJNXDPBKVCA,UHFFFAOYSA,N,Phenylalanyl-Lysine,FADYJNXDPBKVCA-UHFFFAOYSA-N
HMDB29001,296.119463206,C14H20N2O3S,CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C14H20N2O3S/c1-20-8-7-12(14(18)19)16-13(17)11(15)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)",PYOHODCEOHCZBM,UHFFFAOYSA,N,Phenylalanyl-Methionine,PYOHODCEOHCZBM-UHFFFAOYSA-N
HMDB29004,252.11100701,C12H16N2O4,NC(CC1=CC=CC=C1)C(=O)NC(CO)C(O)=O,"InChI=1S/C12H16N2O4/c13-9(6-8-4-2-1-3-5-8)11(16)14-10(7-15)12(17)18/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)",ROHDXJUFQVRDAV,UHFFFAOYSA,N,Phenylalanyl-Serine,ROHDXJUFQVRDAV-UHFFFAOYSA-N
HMDB29005,266.126657074,C13H18N2O4,CC(O)C(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C13H18N2O4/c1-8(16)11(13(18)19)15-12(17)10(14)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)",NYQBYASWHVRESG,UHFFFAOYSA,N,Phenylalanyl-Threonine,NYQBYASWHVRESG-UHFFFAOYSA-N
HMDB29006,351.158291553,C20H21N3O3,NC(CC1=CC=CC=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C20H21N3O3/c21-16(10-13-6-2-1-3-7-13)19(24)23-18(20(25)26)11-14-12-22-17-9-5-4-8-15(14)17/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)",JMCOUWKXLXDERB,UHFFFAOYSA,N,Phenylalanyl-Tryptophan,JMCOUWKXLXDERB-UHFFFAOYSA-N
HMDB29007,328.142307138,C18H20N2O4,NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C18H20N2O4/c19-15(10-12-4-2-1-3-5-12)17(22)20-16(18(23)24)11-13-6-8-14(21)9-7-13/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)",FSXRLASFHBWESK,UHFFFAOYSA,N,Phenylalanyl-Tyrosine,FSXRLASFHBWESK-UHFFFAOYSA-N
HMDB29008,264.147392516,C14H20N2O3,CC(C)C(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C14H20N2O3/c1-9(2)12(14(18)19)16-13(17)11(15)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)",IEHDJWSAXBGJIP,UHFFFAOYSA,N,Phenylalanyl-Valine,IEHDJWSAXBGJIP-UHFFFAOYSA-N
HMDB29009,293.137556111,C14H19N3O4,NC(CCC(=O)NC(=O)C(N)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C14H19N3O4/c15-10(14(20)21)6-7-12(18)17-13(19)11(16)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15-16H2,(H,20,21)(H,17,18,19)",XWHWNYMBZXDFRP,UHFFFAOYSA,N,Phenylalanyl-Gamma-glutamate,XWHWNYMBZXDFRP-UHFFFAOYSA-N
HMDB29010,186.100442324,C8H14N2O3,CC(NC(=O)C1CCCN1)C(O)=O,"InChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)",FELJDCNGZFDUNR,UHFFFAOYSA,N,Prolyl-Alanine,FELJDCNGZFDUNR-UHFFFAOYSA-N
HMDB29011,271.164439563,C11H21N5O3,NC(=N)NCCCC(NC(=O)C1CCCN1)C(O)=O,"InChI=1S/C11H21N5O3/c12-11(13)15-6-2-4-8(10(18)19)16-9(17)7-3-1-5-14-7/h7-8,14H,1-6H2,(H,16,17)(H,18,19)(H4,12,13,15)",HMNSRTLZAJHSIK,UHFFFAOYSA,N,Prolyl-Arginine,HMNSRTLZAJHSIK-UHFFFAOYSA-N
HMDB29012,229.106255983,C9H15N3O4,NC(=O)CC(NC(=O)C1CCCN1)C(O)=O,"InChI=1S/C9H15N3O4/c10-7(13)4-6(9(15)16)12-8(14)5-2-1-3-11-5/h5-6,11H,1-4H2,(H2,10,13)(H,12,14)(H,15,16)",JQOHKCDMINQZRV,UHFFFAOYSA,N,Prolyl-Asparagine,JQOHKCDMINQZRV-UHFFFAOYSA-N
HMDB29013,230.090271568,C9H14N2O5,OC(=O)CC(NC(=O)C1CCCN1)C(O)=O,"InChI=1S/C9H14N2O5/c12-7(13)4-6(9(15)16)11-8(14)5-2-1-3-10-5/h5-6,10H,1-4H2,(H,11,14)(H,12,13)(H,15,16)",GLEOIKLQBZNKJZ,UHFFFAOYSA,N,Prolyl-Aspartate,GLEOIKLQBZNKJZ-UHFFFAOYSA-N
HMDB29014,218.072513014,C8H14N2O3S,OC(=O)C(CS)NC(=O)C1CCCN1,"InChI=1S/C8H14N2O3S/c11-7(5-2-1-3-9-5)10-6(4-14)8(12)13/h5-6,9,14H,1-4H2,(H,10,11)(H,12,13)",HXNYBZQLBWIADP,UHFFFAOYSA,N,Prolyl-Cysteine,HXNYBZQLBWIADP-UHFFFAOYSA-N
HMDB29015,243.121906047,C10H17N3O4,NC(=O)CCC(NC(=O)C1CCCN1)C(O)=O,"InChI=1S/C10H17N3O4/c11-8(14)4-3-7(10(16)17)13-9(15)6-2-1-5-12-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)",SHAQGFGGJSLLHE,UHFFFAOYSA,N,Prolyl-Glutamine,SHAQGFGGJSLLHE-UHFFFAOYSA-N
HMDB29016,243.0980966,C10H15N2O5,OC(=O)CCC(NC(=O)C1CCCN1)C([O-])=O,"InChI=1S/C10H16N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,12,15)(H,13,14)(H,16,17)/p-1",QLROSWPKSBORFJ,UHFFFAOYSA,M,Prolyl-Glutamate,QLROSWPKSBORFJ-UHFFFAOYSA-M
HMDB29018,228.11100701,C10H16N2O4,OC1CC(N(C1)C(=O)C1CCCN1)C(O)=O,"InChI=1S/C10H16N2O4/c13-6-4-8(10(15)16)12(5-6)9(14)7-2-1-3-11-7/h6-8,11,13H,1-5H2,(H,15,16)",ONPXCLZMBSJLSP,UHFFFAOYSA,N,Prolyl-Hydroxyproline,ONPXCLZMBSJLSP-UHFFFAOYSA-N
HMDB29019,252.122240398,C11H16N4O3,OC(=O)C(CC1=CN=CN1)NC(=O)C1CCCN1,"InChI=1S/C11H16N4O3/c16-10(8-2-1-3-13-8)15-9(11(17)18)4-7-5-12-6-14-7/h5-6,8-9,13H,1-4H2,(H,12,14)(H,15,16)(H,17,18)",BEPSGCXDIVACBU,UHFFFAOYSA,N,Prolyl-Histidine,BEPSGCXDIVACBU-UHFFFAOYSA-N
HMDB29022,243.158291553,C11H21N3O3,NCCCCC(NC(=O)C1CCCN1)C(O)=O,"InChI=1S/C11H21N3O3/c12-6-2-1-4-9(11(16)17)14-10(15)8-5-3-7-13-8/h8-9,13H,1-7,12H2,(H,14,15)(H,16,17)",RVQDZELMXZRSSI,UHFFFAOYSA,N,Prolyl-Lysine,RVQDZELMXZRSSI-UHFFFAOYSA-N
HMDB29023,246.103813142,C10H18N2O3S,CSCCC(NC(=O)C1CCCN1)C(O)=O,"InChI=1S/C10H18N2O3S/c1-16-6-4-8(10(14)15)12-9(13)7-3-2-5-11-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)",MTWJTFBVRDGROD,UHFFFAOYSA,N,Prolyl-Methionine,MTWJTFBVRDGROD-UHFFFAOYSA-N
HMDB29026,202.095356946,C8H14N2O4,OCC(NC(=O)C1CCCN1)C(O)=O,"InChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)",AFWBWPCXSWUCLB,UHFFFAOYSA,N,Prolyl-Serine,AFWBWPCXSWUCLB-UHFFFAOYSA-N
HMDB29027,216.11100701,C9H16N2O4,CC(O)C(NC(=O)C1CCCN1)C(O)=O,"InChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)",GVUVRRPYYDHHGK,UHFFFAOYSA,N,Prolyl-Threonine,GVUVRRPYYDHHGK-UHFFFAOYSA-N
HMDB29028,301.142641489,C16H19N3O3,OC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCCN1,"InChI=1S/C16H19N3O3/c20-15(13-6-3-7-17-13)19-14(16(21)22)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17-18H,3,6-8H2,(H,19,20)(H,21,22)",UEKYKRQIAQHOOZ,UHFFFAOYSA,N,Prolyl-Tryptophan,UEKYKRQIAQHOOZ-UHFFFAOYSA-N
HMDB29029,278.126657074,C14H18N2O4,OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C1CCCN1,"InChI=1S/C14H18N2O4/c17-10-5-3-9(4-6-10)8-12(14(19)20)16-13(18)11-2-1-7-15-11/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18)(H,19,20)",OIDKVWTWGDWMHY,UHFFFAOYSA,N,Prolyl-Tyrosine,OIDKVWTWGDWMHY-UHFFFAOYSA-N
HMDB29030,214.131742452,C10H18N2O3,CC(C)C(NC(=O)C1CCCN1)C(O)=O,"InChI=1S/C10H18N2O3/c1-6(2)8(10(14)15)12-9(13)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)",AWJGUZSYVIVZGP,UHFFFAOYSA,N,Prolyl-Valine,AWJGUZSYVIVZGP-UHFFFAOYSA-N
HMDB29031,243.121906047,C10H17N3O4,NC(CCC(=O)NC(=O)C1CCCN1)C(O)=O,"InChI=1S/C10H17N3O4/c11-6(10(16)17)3-4-8(14)13-9(15)7-2-1-5-12-7/h6-7,12H,1-5,11H2,(H,16,17)(H,13,14,15)",FSGFZJVYAZKWHO,UHFFFAOYSA,N,Prolyl-Gamma-glutamate,FSGFZJVYAZKWHO-UHFFFAOYSA-N
HMDB29032,176.079706882,C6H12N2O4,CC(NC(=O)C(N)CO)C(O)=O,"InChI=1S/C6H12N2O4/c1-3(6(11)12)8-5(10)4(7)2-9/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)",SSJMZMUVNKEENT,UHFFFAOYSA,N,Serinyl-Alanine,SSJMZMUVNKEENT-UHFFFAOYSA-N
HMDB29033,261.143704121,C9H19N5O4,NC(CO)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C9H19N5O4/c10-5(4-15)7(16)14-6(8(17)18)2-1-3-13-9(11)12/h5-6,15H,1-4,10H2,(H,14,16)(H,17,18)(H4,11,12,13)",RZEQTVHJZCIUBT,UHFFFAOYSA,N,Serinyl-Arginine,RZEQTVHJZCIUBT-UHFFFAOYSA-N
HMDB29034,219.085520541,C7H13N3O5,NC(CO)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C7H13N3O5/c8-3(2-11)6(13)10-4(7(14)15)1-5(9)12/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)",LTFSLKWFMWZEBD,UHFFFAOYSA,N,Serinyl-Asparagine,LTFSLKWFMWZEBD-UHFFFAOYSA-N
HMDB29035,220.069536126,C7H12N2O6,NC(CO)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C7H12N2O6/c8-3(2-10)6(13)9-4(7(14)15)1-5(11)12/h3-4,10H,1-2,8H2,(H,9,13)(H,11,12)(H,14,15)",VBKBDLMWICBSCY,UHFFFAOYSA,N,Serinyl-Aspartate,VBKBDLMWICBSCY-UHFFFAOYSA-N
HMDB29036,208.051777572,C6H12N2O4S,NC(CO)C(=O)NC(CS)C(O)=O,"InChI=1S/C6H12N2O4S/c7-3(1-9)5(10)8-4(2-13)6(11)12/h3-4,9,13H,1-2,7H2,(H,8,10)(H,11,12)",FFOKMZOAVHEWET,UHFFFAOYSA,N,Serinyl-Cysteine,FFOKMZOAVHEWET-UHFFFAOYSA-N
HMDB29037,233.101170605,C8H15N3O5,NC(CO)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C8H15N3O5/c9-4(3-12)7(14)11-5(8(15)16)1-2-6(10)13/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)",UJTZHGHXJKIAOS,UHFFFAOYSA,N,Serinyl-Glutamine,UJTZHGHXJKIAOS-UHFFFAOYSA-N
HMDB29038,233.077361158,C8H13N2O6,NC(CO)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C8H14N2O6/c9-4(3-11)7(14)10-5(8(15)16)1-2-6(12)13/h4-5,11H,1-3,9H2,(H,10,14)(H,12,13)(H,15,16)/p-1",LAFKUZYWNCHOHT,UHFFFAOYSA,M,Serinyl-Glutamate,LAFKUZYWNCHOHT-UHFFFAOYSA-M
HMDB29039,162.064056818,C5H10N2O4,NC(CO)C(=O)NCC(O)=O,"InChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)",WOUIMBGNEUWXQG,UHFFFAOYSA,N,Serinyl-Glycine,WOUIMBGNEUWXQG-UHFFFAOYSA-N
HMDB29040,218.090271568,C8H14N2O5,NC(CO)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C8H14N2O5/c9-5(3-11)7(13)10-2-4(12)1-6(10)8(14)15/h4-6,11-12H,1-3,9H2,(H,14,15)",IISAHBYOIFITKV,UHFFFAOYSA,N,Serinyl-Hydroxyproline,IISAHBYOIFITKV-UHFFFAOYSA-N
HMDB29041,242.101504956,C9H14N4O4,NC(CO)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C9H14N4O4/c10-6(3-14)8(15)13-7(9(16)17)1-5-2-11-4-12-5/h2,4,6-7,14H,1,3,10H2,(H,11,12)(H,13,15)(H,16,17)",YZMPDHTZJJCGEI,UHFFFAOYSA,N,Serinyl-Histidine,YZMPDHTZJJCGEI-UHFFFAOYSA-N
HMDB29042,218.126657074,C9H18N2O4,CCC(C)C(NC(=O)C(N)CO)C(O)=O,"InChI=1S/C9H18N2O4/c1-3-5(2)7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)",BXLYSRPHVMCOPS,UHFFFAOYSA,N,Serinyl-Isoleucine,BXLYSRPHVMCOPS-UHFFFAOYSA-N
HMDB29043,218.126657074,C9H18N2O4,CC(C)CC(NC(=O)C(N)CO)C(O)=O,"InChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)",NFDYGNFETJVMSE,UHFFFAOYSA,N,Serinyl-Leucine,NFDYGNFETJVMSE-UHFFFAOYSA-N
HMDB29044,233.137556111,C9H19N3O4,NCCCCC(NC(=O)C(N)CO)C(O)=O,"InChI=1S/C9H19N3O4/c10-4-2-1-3-7(9(15)16)12-8(14)6(11)5-13/h6-7,13H,1-5,10-11H2,(H,12,14)(H,15,16)",SBMNPABNWKXNBJ,UHFFFAOYSA,N,Serinyl-Lysine,SBMNPABNWKXNBJ-UHFFFAOYSA-N
HMDB29045,236.0830777,C8H16N2O4S,CSCCC(NC(=O)C(N)CO)C(O)=O,"InChI=1S/C8H16N2O4S/c1-15-3-2-6(8(13)14)10-7(12)5(9)4-11/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)",PBUXMVYWOSKHMF,UHFFFAOYSA,N,Serinyl-Methionine,PBUXMVYWOSKHMF-UHFFFAOYSA-N
HMDB29046,252.11100701,C12H16N2O4,NC(CO)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C12H16N2O4/c13-9(7-15)11(16)14-10(12(17)18)6-8-4-2-1-3-5-8/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)",PPQRSMGDOHLTBE,UHFFFAOYSA,N,Serinyl-Phenylalanine,PPQRSMGDOHLTBE-UHFFFAOYSA-N
HMDB29047,202.095356946,C8H14N2O4,NC(CO)C(=O)N1CCCC1C(O)=O,"InChI=1S/C8H14N2O4/c9-5(4-11)7(12)10-3-1-2-6(10)8(13)14/h5-6,11H,1-4,9H2,(H,13,14)",WBAXJMCUFIXCNI,UHFFFAOYSA,N,Serinyl-Proline,WBAXJMCUFIXCNI-UHFFFAOYSA-N
HMDB29048,192.074621504,C6H12N2O5,NC(CO)C(=O)NC(CO)C(O)=O,"InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)",XZKQVQKUZMAADP,UHFFFAOYSA,N,Serinyl-Serine,XZKQVQKUZMAADP-UHFFFAOYSA-N
HMDB29049,206.090271568,C7H14N2O5,CC(O)C(NC(=O)C(N)CO)C(O)=O,"InChI=1S/C7H14N2O5/c1-3(11)5(7(13)14)9-6(12)4(8)2-10/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)",LDEBVRIURYMKQS,UHFFFAOYSA,N,Serinyl-Threonine,LDEBVRIURYMKQS-UHFFFAOYSA-N
HMDB29050,291.121906047,C14H17N3O4,NC(CO)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C14H17N3O4/c15-10(7-18)13(19)17-12(14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)",LZLREEUGSYITMX,UHFFFAOYSA,N,Serinyl-Tryptophan,LZLREEUGSYITMX-UHFFFAOYSA-N
HMDB29051,268.105921632,C12H16N2O5,NC(CO)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C12H16N2O5/c13-9(6-15)11(17)14-10(12(18)19)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)",MALNXHYEPCSPPU,UHFFFAOYSA,N,Serinyl-Tyrosine,MALNXHYEPCSPPU-UHFFFAOYSA-N
HMDB29052,204.11100701,C8H16N2O4,CC(C)C(NC(=O)C(N)CO)C(O)=O,"InChI=1S/C8H16N2O4/c1-4(2)6(8(13)14)10-7(12)5(9)3-11/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)",ILVGMCVCQBJPSH,UHFFFAOYSA,N,Serinyl-Valine,ILVGMCVCQBJPSH-UHFFFAOYSA-N
HMDB29053,233.101170605,C8H15N3O5,NC(CCC(=O)NC(=O)C(N)CO)C(O)=O,"InChI=1S/C8H15N3O5/c9-4(8(15)16)1-2-6(13)11-7(14)5(10)3-12/h4-5,12H,1-3,9-10H2,(H,15,16)(H,11,13,14)",XSBSFWZOXUFADP,UHFFFAOYSA,N,Serinyl-Gamma-glutamate,XSBSFWZOXUFADP-UHFFFAOYSA-N
HMDB29054,190.095356946,C7H14N2O4,CC(O)C(N)C(=O)NC(C)C(O)=O,"InChI=1S/C7H14N2O4/c1-3(7(12)13)9-6(11)5(8)4(2)10/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)",VPZKQTYZIVOJDV,UHFFFAOYSA,N,Threoninyl-Alanine,VPZKQTYZIVOJDV-UHFFFAOYSA-N
HMDB29055,275.159354185,C10H21N5O4,CC(O)C(N)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C10H21N5O4/c1-5(16)7(11)8(17)15-6(9(18)19)3-2-4-14-10(12)13/h5-7,16H,2-4,11H2,1H3,(H,15,17)(H,18,19)(H4,12,13,14)",HYLXOQURIOCKIH,UHFFFAOYSA,N,Threoninyl-Arginine,HYLXOQURIOCKIH-UHFFFAOYSA-N
HMDB29056,233.101170605,C8H15N3O5,CC(O)C(N)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C8H15N3O5/c1-3(12)6(10)7(14)11-4(8(15)16)2-5(9)13/h3-4,6,12H,2,10H2,1H3,(H2,9,13)(H,11,14)(H,15,16)",UQTNIFUCMBFWEJ,UHFFFAOYSA,N,Threoninyl-Asparagine,UQTNIFUCMBFWEJ-UHFFFAOYSA-N
HMDB29057,234.08518619,C8H14N2O6,CC(O)C(N)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C8H14N2O6/c1-3(11)6(9)7(14)10-4(8(15)16)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)",IOWJRKAVLALBQB,UHFFFAOYSA,N,Threoninyl-Aspartate,IOWJRKAVLALBQB-UHFFFAOYSA-N
HMDB29058,222.067427636,C7H14N2O4S,CC(O)C(N)C(=O)NC(CS)C(O)=O,"InChI=1S/C7H14N2O4S/c1-3(10)5(8)6(11)9-4(2-14)7(12)13/h3-5,10,14H,2,8H2,1H3,(H,9,11)(H,12,13)",CUTPSEKWUPZFLV,UHFFFAOYSA,N,Threoninyl-Cysteine,CUTPSEKWUPZFLV-UHFFFAOYSA-N
HMDB29059,247.116820669,C9H17N3O5,CC(O)C(N)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C9H17N3O5/c1-4(13)7(11)8(15)12-5(9(16)17)2-3-6(10)14/h4-5,7,13H,2-3,11H2,1H3,(H2,10,14)(H,12,15)(H,16,17)",BWUHENPAEMNGQJ,UHFFFAOYSA,N,Threoninyl-Glutamine,BWUHENPAEMNGQJ-UHFFFAOYSA-N
HMDB29060,247.093011222,C9H15N2O6,CC(O)C(N)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C9H16N2O6/c1-4(12)7(10)8(15)11-5(9(16)17)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/p-1",BECPPKYKPSRKCP,UHFFFAOYSA,M,Threoninyl-Glutamate,BECPPKYKPSRKCP-UHFFFAOYSA-M
HMDB29061,176.079706882,C6H12N2O4,CC(O)C(N)C(=O)NCC(O)=O,"InChI=1S/C6H12N2O4/c1-3(9)5(7)6(12)8-2-4(10)11/h3,5,9H,2,7H2,1H3,(H,8,12)(H,10,11)",BIYXEUAFGLTAEM,UHFFFAOYSA,N,Threoninyl-Glycine,BIYXEUAFGLTAEM-UHFFFAOYSA-N
HMDB29062,232.105921632,C9H16N2O5,CC(O)C(N)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C9H16N2O5/c1-4(12)7(10)8(14)11-3-5(13)2-6(11)9(15)16/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)",LARRWQRLUSYTHC,UHFFFAOYSA,N,Threoninyl-Hydroxyproline,LARRWQRLUSYTHC-UHFFFAOYSA-N
HMDB29063,256.11715502,C10H16N4O4,CC(O)C(N)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C10H16N4O4/c1-5(15)8(11)9(16)14-7(10(17)18)2-6-3-12-4-13-6/h3-5,7-8,15H,2,11H2,1H3,(H,12,13)(H,14,16)(H,17,18)",WXVIGTAUZBUDPZ,UHFFFAOYSA,N,Threoninyl-Histidine,WXVIGTAUZBUDPZ-UHFFFAOYSA-N
HMDB29064,232.142307138,C10H20N2O4,CCC(C)C(NC(=O)C(N)C(C)O)C(O)=O,"InChI=1S/C10H20N2O4/c1-4-5(2)8(10(15)16)12-9(14)7(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)",LUMXICQAOKVQOB,UHFFFAOYSA,N,Threoninyl-Isoleucine,LUMXICQAOKVQOB-UHFFFAOYSA-N
HMDB29065,232.142307138,C10H20N2O4,CC(C)CC(NC(=O)C(N)C(C)O)C(O)=O,"InChI=1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)",BQBCIBCLXBKYHW,UHFFFAOYSA,N,Threoninyl-Leucine,BQBCIBCLXBKYHW-UHFFFAOYSA-N
HMDB29066,247.153206175,C10H21N3O4,CC(O)C(N)C(=O)NC(CCCCN)C(O)=O,"InChI=1S/C10H21N3O4/c1-6(14)8(12)9(15)13-7(10(16)17)4-2-3-5-11/h6-8,14H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)",YKRQRPFODDJQTC,UHFFFAOYSA,N,Threoninyl-Lysine,YKRQRPFODDJQTC-UHFFFAOYSA-N
HMDB29067,250.098727764,C9H18N2O4S,CSCCC(NC(=O)C(N)C(C)O)C(O)=O,"InChI=1S/C9H18N2O4S/c1-5(12)7(10)8(13)11-6(9(14)15)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)",APIDTRXFGYOLLH,UHFFFAOYSA,N,Threoninyl-Methionine,APIDTRXFGYOLLH-UHFFFAOYSA-N
HMDB29068,266.126657074,C13H18N2O4,CC(O)C(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C13H18N2O4/c1-8(16)11(14)12(17)15-10(13(18)19)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)",IQHUITKNHOKGFC,UHFFFAOYSA,N,Threoninyl-Phenylalanine,IQHUITKNHOKGFC-UHFFFAOYSA-N
HMDB29069,216.11100701,C9H16N2O4,CC(O)C(N)C(=O)N1CCCC1C(O)=O,"InChI=1S/C9H16N2O4/c1-5(12)7(10)8(13)11-4-2-3-6(11)9(14)15/h5-7,12H,2-4,10H2,1H3,(H,14,15)",QOLYAJSZHIJCTO,UHFFFAOYSA,N,Threoninyl-Proline,QOLYAJSZHIJCTO-UHFFFAOYSA-N
HMDB29070,206.090271568,C7H14N2O5,CC(O)C(N)C(=O)NC(CO)C(O)=O,"InChI=1S/C7H14N2O5/c1-3(11)5(8)6(12)9-4(2-10)7(13)14/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)",GXDLGHLJTHMDII,UHFFFAOYSA,N,Threoninyl-Serine,GXDLGHLJTHMDII-UHFFFAOYSA-N
HMDB29071,220.105921632,C8H16N2O5,CC(O)C(N)C(=O)NC(C(C)O)C(O)=O,"InChI=1S/C8H16N2O5/c1-3(11)5(9)7(13)10-6(4(2)12)8(14)15/h3-6,11-12H,9H2,1-2H3,(H,10,13)(H,14,15)",DSGIVWSDDRDJIO,UHFFFAOYSA,N,Threoninyl-Threonine,DSGIVWSDDRDJIO-UHFFFAOYSA-N
HMDB29072,305.137556111,C15H19N3O4,CC(O)C(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C15H19N3O4/c1-8(19)13(16)14(20)18-12(15(21)22)6-9-7-17-11-5-3-2-4-10(9)11/h2-5,7-8,12-13,17,19H,6,16H2,1H3,(H,18,20)(H,21,22)",KAFKKRJQHOECGW,UHFFFAOYSA,N,Threoninyl-Tryptophan,KAFKKRJQHOECGW-UHFFFAOYSA-N
HMDB29073,282.121571696,C13H18N2O5,CC(O)C(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C13H18N2O5/c1-7(16)11(14)12(18)15-10(13(19)20)6-8-2-4-9(17)5-3-8/h2-5,7,10-11,16-17H,6,14H2,1H3,(H,15,18)(H,19,20)",WCRFXRIWBFRZBR,UHFFFAOYSA,N,Threoninyl-Tyrosine,WCRFXRIWBFRZBR-UHFFFAOYSA-N
HMDB29074,218.126657074,C9H18N2O4,CC(C)C(NC(=O)C(N)C(C)O)C(O)=O,"InChI=1S/C9H18N2O4/c1-4(2)7(9(14)15)11-8(13)6(10)5(3)12/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)",CKHWEVXPLJBEOZ,UHFFFAOYSA,N,Threoninyl-Valine,CKHWEVXPLJBEOZ-UHFFFAOYSA-N
HMDB29075,247.116820669,C9H17N3O5,CC(O)C(N)C(=O)NC(=O)CCC(N)C(O)=O,"InChI=1S/C9H17N3O5/c1-4(13)7(11)8(15)12-6(14)3-2-5(10)9(16)17/h4-5,7,13H,2-3,10-11H2,1H3,(H,16,17)(H,12,14,15)",BTVBLYICTTUOEJ,UHFFFAOYSA,N,Threoninyl-Gamma-glutamate,BTVBLYICTTUOEJ-UHFFFAOYSA-N
HMDB29076,275.126991425,C14H17N3O3,CC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C14H17N3O3/c1-8(14(19)20)17-13(18)11(15)6-9-7-16-12-5-3-2-4-10(9)12/h2-5,7-8,11,16H,6,15H2,1H3,(H,17,18)(H,19,20)",OHGNSVACHBZKSS,UHFFFAOYSA,N,Tryptophyl-Alanine,OHGNSVACHBZKSS-UHFFFAOYSA-N
HMDB29077,360.190988664,C17H24N6O3,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C17H24N6O3/c18-12(8-10-9-22-13-5-2-1-4-11(10)13)15(24)23-14(16(25)26)6-3-7-21-17(19)20/h1-2,4-5,9,12,14,22H,3,6-8,18H2,(H,23,24)(H,25,26)(H4,19,20,21)",LCPVBXOHXMBLFW,UHFFFAOYSA,N,Tryptophyl-Arginine,LCPVBXOHXMBLFW-UHFFFAOYSA-N
HMDB29078,318.132805084,C15H18N4O4,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C15H18N4O4/c16-10(14(21)19-12(15(22)23)6-13(17)20)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)",GRQCSEWEPIHLBI,UHFFFAOYSA,N,Tryptophyl-Asparagine,GRQCSEWEPIHLBI-UHFFFAOYSA-N
HMDB29079,319.116820669,C15H17N3O5,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C15H17N3O5/c16-10(14(21)18-12(15(22)23)6-13(19)20)5-8-7-17-11-4-2-1-3-9(8)11/h1-4,7,10,12,17H,5-6,16H2,(H,18,21)(H,19,20)(H,22,23)",PEEAINPHPNDNGE,UHFFFAOYSA,N,Tryptophyl-Aspartate,PEEAINPHPNDNGE-UHFFFAOYSA-N
HMDB29080,307.099062115,C14H17N3O3S,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CS)C(O)=O,"InChI=1S/C14H17N3O3S/c15-10(13(18)17-12(7-21)14(19)20)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,21H,5,7,15H2,(H,17,18)(H,19,20)",SMDQRGAERNMJJF,UHFFFAOYSA,N,Tryptophyl-Cysteine,SMDQRGAERNMJJF-UHFFFAOYSA-N
HMDB29081,332.148455148,C16H20N4O4,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C16H20N4O4/c17-11(7-9-8-19-12-4-2-1-3-10(9)12)15(22)20-13(16(23)24)5-6-14(18)21/h1-4,8,11,13,19H,5-7,17H2,(H2,18,21)(H,20,22)(H,23,24)",NZCPCJCJZHKFGZ,UHFFFAOYSA,N,Tryptophyl-Glutamine,NZCPCJCJZHKFGZ-UHFFFAOYSA-N
HMDB29082,332.124645701,C16H18N3O5,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/p-1",PWIQCLSQVQBOQV,UHFFFAOYSA,M,Tryptophyl-Glutamate,PWIQCLSQVQBOQV-UHFFFAOYSA-M
HMDB29083,261.111341361,C13H15N3O3,NC(CC1=CNC2=C1C=CC=C2)C(=O)NCC(O)=O,"InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)",UYKREHOKELZSPB,UHFFFAOYSA,N,Tryptophyl-Glycine,UYKREHOKELZSPB-UHFFFAOYSA-N
HMDB29084,317.137556111,C16H19N3O4,NC(CC1=CNC2=C1C=CC=C2)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C16H19N3O4/c17-12(5-9-7-18-13-4-2-1-3-11(9)13)15(21)19-8-10(20)6-14(19)16(22)23/h1-4,7,10,12,14,18,20H,5-6,8,17H2,(H,22,23)",XMEUQXQNFRSXLF,UHFFFAOYSA,N,Tryptophyl-Hydroxyproline,XMEUQXQNFRSXLF-UHFFFAOYSA-N
HMDB29085,341.148789499,C17H19N5O3,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C17H19N5O3/c18-13(5-10-7-20-14-4-2-1-3-12(10)14)16(23)22-15(17(24)25)6-11-8-19-9-21-11/h1-4,7-9,13,15,20H,5-6,18H2,(H,19,21)(H,22,23)(H,24,25)",KBUBZAMBIVEFEI,UHFFFAOYSA,N,Tryptophyl-Histidine,KBUBZAMBIVEFEI-UHFFFAOYSA-N
HMDB29086,317.173941617,C17H23N3O3,CCC(C)C(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C17H23N3O3/c1-3-10(2)15(17(22)23)20-16(21)13(18)8-11-9-19-14-7-5-4-6-12(11)14/h4-7,9-10,13,15,19H,3,8,18H2,1-2H3,(H,20,21)(H,22,23)",PITVQFJBUFDJDD,UHFFFAOYSA,N,Tryptophyl-Isoleucine,PITVQFJBUFDJDD-UHFFFAOYSA-N
HMDB29087,317.173941617,C17H23N3O3,CC(C)CC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C17H23N3O3/c1-10(2)7-15(17(22)23)20-16(21)13(18)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)",LYMVXFSTACVOLP,UHFFFAOYSA,N,Tryptophyl-Leucine,LYMVXFSTACVOLP-UHFFFAOYSA-N
HMDB29088,332.184840654,C17H24N4O3,NCCCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C17H24N4O3/c18-8-4-3-7-15(17(23)24)21-16(22)13(19)9-11-10-20-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,15,20H,3-4,7-9,18-19H2,(H,21,22)(H,23,24)",DZHDVYLBNKMLMB,UHFFFAOYSA,N,Tryptophyl-Lysine,DZHDVYLBNKMLMB-UHFFFAOYSA-N
HMDB29089,335.130362243,C16H21N3O3S,CSCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C16H21N3O3S/c1-23-7-6-14(16(21)22)19-15(20)12(17)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)",BVZABQIRMYTKCF,UHFFFAOYSA,N,Tryptophyl-Methionine,BVZABQIRMYTKCF-UHFFFAOYSA-N
HMDB29090,351.158291553,C20H21N3O3,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)",IMMPMHKLUUZKAZ,UHFFFAOYSA,N,Tryptophyl-Phenylalanine,IMMPMHKLUUZKAZ-UHFFFAOYSA-N
HMDB29091,301.142641489,C16H19N3O3,NC(CC1=CNC2=C1C=CC=C2)C(=O)N1CCCC1C(O)=O,"InChI=1S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)",DXYQIGZZWYBXSD,UHFFFAOYSA,N,Tryptophyl-Proline,DXYQIGZZWYBXSD-UHFFFAOYSA-N
HMDB29092,291.121906047,C14H17N3O4,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CO)C(O)=O,"InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)",MYVYPSWUSKCCHG,UHFFFAOYSA,N,Tryptophyl-Serine,MYVYPSWUSKCCHG-UHFFFAOYSA-N
HMDB29093,305.137556111,C15H19N3O4,CC(O)C(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C15H19N3O4/c1-8(19)13(15(21)22)18-14(20)11(16)6-9-7-17-12-5-3-2-4-10(9)12/h2-5,7-8,11,13,17,19H,6,16H2,1H3,(H,18,20)(H,21,22)",YBRHKUNWEYBZGT,UHFFFAOYSA,N,Tryptophyl-Threonine,YBRHKUNWEYBZGT-UHFFFAOYSA-N
HMDB29094,390.16919059,C22H22N4O3,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)",NQIHMZLGCZNZBN,UHFFFAOYSA,N,Tryptophyl-Tryptophan,NQIHMZLGCZNZBN-UHFFFAOYSA-N
HMDB29095,367.153206175,C20H21N3O4,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C20H21N3O4/c21-16(10-13-11-22-17-4-2-1-3-15(13)17)19(25)23-18(20(26)27)9-12-5-7-14(24)8-6-12/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)",TYYLDKGBCJGJGW,UHFFFAOYSA,N,Tryptophyl-Tyrosine,TYYLDKGBCJGJGW-UHFFFAOYSA-N
HMDB29096,303.158291553,C16H21N3O3,CC(C)C(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C16H21N3O3/c1-9(2)14(16(21)22)19-15(20)12(17)7-10-8-18-13-6-4-3-5-11(10)13/h3-6,8-9,12,14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)",LWFWZRANSFAJDR,UHFFFAOYSA,N,Tryptophyl-Valine,LWFWZRANSFAJDR-UHFFFAOYSA-N
HMDB29097,332.148455148,C16H20N4O4,NC(CCC(=O)NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C16H20N4O4/c17-11(16(23)24)5-6-14(21)20-15(22)12(18)7-9-8-19-13-4-2-1-3-10(9)13/h1-4,8,11-12,19H,5-7,17-18H2,(H,23,24)(H,20,21,22)",FNGTUNXVLUYBPN,UHFFFAOYSA,N,Tryptophyl-Gamma-glutamate,FNGTUNXVLUYBPN-UHFFFAOYSA-N
HMDB29098,252.11100701,C12H16N2O4,CC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)",NLKUJNGEGZDXGO,UHFFFAOYSA,N,Tyrosyl-Alanine,NLKUJNGEGZDXGO-UHFFFAOYSA-N
HMDB29099,337.175004249,C15H23N5O4,NC(CC1=CC=C(O)C=C1)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)",JXNRXNCCROJZFB,UHFFFAOYSA,N,Tyrosyl-Arginine,JXNRXNCCROJZFB-UHFFFAOYSA-N
HMDB29100,295.116820669,C13H17N3O5,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C13H17N3O5/c14-9(5-7-1-3-8(17)4-2-7)12(19)16-10(13(20)21)6-11(15)18/h1-4,9-10,17H,5-6,14H2,(H2,15,18)(H,16,19)(H,20,21)",ONWMQORSVZYVNH,UHFFFAOYSA,N,Tyrosyl-Asparagine,ONWMQORSVZYVNH-UHFFFAOYSA-N
HMDB29101,296.100836254,C13H16N2O6,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C13H16N2O6/c14-9(5-7-1-3-8(16)4-2-7)12(19)15-10(13(20)21)6-11(17)18/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)",QZOSVNLXLSNHQK,UHFFFAOYSA,N,Tyrosyl-Aspartate,QZOSVNLXLSNHQK-UHFFFAOYSA-N
HMDB29102,284.0830777,C12H16N2O4S,NC(CC1=CC=C(O)C=C1)C(=O)NC(CS)C(O)=O,"InChI=1S/C12H16N2O4S/c13-9(5-7-1-3-8(15)4-2-7)11(16)14-10(6-19)12(17)18/h1-4,9-10,15,19H,5-6,13H2,(H,14,16)(H,17,18)",WJKJJGXZRHDNTN,UHFFFAOYSA,N,Tyrosyl-Cysteine,WJKJJGXZRHDNTN-UHFFFAOYSA-N
HMDB29103,309.132470733,C14H19N3O5,NC(CC1=CC=C(O)C=C1)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C14H19N3O5/c15-10(7-8-1-3-9(18)4-2-8)13(20)17-11(14(21)22)5-6-12(16)19/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)",UBAQSAUDKMIEQZ,UHFFFAOYSA,N,Tyrosyl-Glutamine,UBAQSAUDKMIEQZ-UHFFFAOYSA-N
HMDB29104,309.108661286,C14H17N2O6,NC(CC1=CC=C(O)C=C1)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C14H18N2O6/c15-10(7-8-1-3-9(17)4-2-8)13(20)16-11(14(21)22)5-6-12(18)19/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)/p-1",PDSLRCZINIDLMU,UHFFFAOYSA,M,Tyrosyl-Glutamate,PDSLRCZINIDLMU-UHFFFAOYSA-M
HMDB29105,238.095356946,C11H14N2O4,NC(CC1=CC=C(O)C=C1)C(=O)NCC(O)=O,"InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16)",HPYDSVWYXXKHRD,UHFFFAOYSA,N,Tyrosyl-Glycine,HPYDSVWYXXKHRD-UHFFFAOYSA-N
HMDB29106,294.121571696,C14H18N2O5,NC(CC1=CC=C(O)C=C1)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C14H18N2O5/c15-11(5-8-1-3-9(17)4-2-8)13(19)16-7-10(18)6-12(16)14(20)21/h1-4,10-12,17-18H,5-7,15H2,(H,20,21)",FTWOPDCJCRFTHX,UHFFFAOYSA,N,Tyrosyl-Hydroxyproline,FTWOPDCJCRFTHX-UHFFFAOYSA-N
HMDB29107,318.132805084,C15H18N4O4,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C15H18N4O4/c16-12(5-9-1-3-11(20)4-2-9)14(21)19-13(15(22)23)6-10-7-17-8-18-10/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)",ZQOOYCZQENFIMC,UHFFFAOYSA,N,Tyrosyl-Histidine,ZQOOYCZQENFIMC-UHFFFAOYSA-N
HMDB29108,294.157957202,C15H22N2O4,CCC(C)C(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C15H22N2O4/c1-3-9(2)13(15(20)21)17-14(19)12(16)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)",QJKMCQRFHJRIPU,UHFFFAOYSA,N,Tyrosyl-Isoleucine,QJKMCQRFHJRIPU-UHFFFAOYSA-N
HMDB29109,294.157957202,C15H22N2O4,CC(C)CC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C15H22N2O4/c1-9(2)7-13(15(20)21)17-14(19)12(16)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)",AUEJLPRZGVVDNU,UHFFFAOYSA,N,Tyrosyl-Leucine,AUEJLPRZGVVDNU-UHFFFAOYSA-N
HMDB29110,309.168856239,C15H23N3O4,NCCCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C15H23N3O4/c16-8-2-1-3-13(15(21)22)18-14(20)12(17)9-10-4-6-11(19)7-5-10/h4-7,12-13,19H,1-3,8-9,16-17H2,(H,18,20)(H,21,22)",AOLHUMAVONBBEZ,UHFFFAOYSA,N,Tyrosyl-Lysine,AOLHUMAVONBBEZ-UHFFFAOYSA-N
HMDB29111,312.114377828,C14H20N2O4S,CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C14H20N2O4S/c1-21-7-6-12(14(19)20)16-13(18)11(15)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)",KYPMKDGKAYQCHO,UHFFFAOYSA,N,Tyrosyl-Methionine,KYPMKDGKAYQCHO-UHFFFAOYSA-N
HMDB29112,328.142307138,C18H20N2O4,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C18H20N2O4/c19-15(10-13-6-8-14(21)9-7-13)17(22)20-16(18(23)24)11-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)",CGWAPUBOXJWXMS,UHFFFAOYSA,N,Tyrosyl-Phenylalanine,CGWAPUBOXJWXMS-UHFFFAOYSA-N
HMDB29113,278.126657074,C14H18N2O4,NC(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(O)=O,"InChI=1S/C14H18N2O4/c15-11(8-9-3-5-10(17)6-4-9)13(18)16-7-1-2-12(16)14(19)20/h3-6,11-12,17H,1-2,7-8,15H2,(H,19,20)",VNYDHJARLHNEGA,UHFFFAOYSA,N,Tyrosyl-Proline,VNYDHJARLHNEGA-UHFFFAOYSA-N
HMDB29114,268.105921632,C12H16N2O5,NC(CC1=CC=C(O)C=C1)C(=O)NC(CO)C(O)=O,"InChI=1S/C12H16N2O5/c13-9(5-7-1-3-8(16)4-2-7)11(17)14-10(6-15)12(18)19/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)",ZSXJENBJGRHKIG,UHFFFAOYSA,N,Tyrosyl-Serine,ZSXJENBJGRHKIG-UHFFFAOYSA-N
HMDB29115,282.121571696,C13H18N2O5,CC(O)C(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C13H18N2O5/c1-7(16)11(13(19)20)15-12(18)10(14)6-8-2-4-9(17)5-3-8/h2-5,7,10-11,16-17H,6,14H2,1H3,(H,15,18)(H,19,20)",MFEVVAXTBZELLL,UHFFFAOYSA,N,Tyrosyl-Threonine,MFEVVAXTBZELLL-UHFFFAOYSA-N
HMDB29116,367.153206175,C20H21N3O4,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C20H21N3O4/c21-16(9-12-5-7-14(24)8-6-12)19(25)23-18(20(26)27)10-13-11-22-17-4-2-1-3-15(13)17/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)",BMPPMAOOKQJYIP,UHFFFAOYSA,N,Tyrosyl-Tryptophan,BMPPMAOOKQJYIP-UHFFFAOYSA-N
HMDB29117,344.13722176,C18H20N2O5,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)",JAQGKXUEKGKTKX,UHFFFAOYSA,N,Tyrosyl-Tyrosine,JAQGKXUEKGKTKX-UHFFFAOYSA-N
HMDB29118,280.142307138,C14H20N2O4,CC(C)C(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C14H20N2O4/c1-8(2)12(14(19)20)16-13(18)11(15)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)",OYOQKMOWUDVWCR,UHFFFAOYSA,N,Tyrosyl-Valine,OYOQKMOWUDVWCR-UHFFFAOYSA-N
HMDB29119,309.132470733,C14H19N3O5,NC(CCC(=O)NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C14H19N3O5/c15-10(14(21)22)5-6-12(19)17-13(20)11(16)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15-16H2,(H,21,22)(H,17,19,20)",NHXCEHCKISFORA,UHFFFAOYSA,N,Tyrosyl-Gamma-glutamate,NHXCEHCKISFORA-UHFFFAOYSA-N
HMDB29120,188.116092388,C8H16N2O3,CC(C)C(N)C(=O)NC(C)C(O)=O,"InChI=1S/C8H16N2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)",HSRXSKHRSXRCFC,UHFFFAOYSA,N,Valyl-Alanine,HSRXSKHRSXRCFC-UHFFFAOYSA-N
HMDB29121,273.180089627,C11H23N5O3,CC(C)C(N)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C11H23N5O3/c1-6(2)8(12)9(17)16-7(10(18)19)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)",IBIDRSSEHFLGSD,UHFFFAOYSA,N,Valyl-Arginine,IBIDRSSEHFLGSD-UHFFFAOYSA-N
HMDB29122,231.121906047,C9H17N3O4,CC(C)C(N)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C9H17N3O4/c1-4(2)7(11)8(14)12-5(9(15)16)3-6(10)13/h4-5,7H,3,11H2,1-2H3,(H2,10,13)(H,12,14)(H,15,16)",WITCOKQIPFWQQD,UHFFFAOYSA,N,Valyl-Asparagine,WITCOKQIPFWQQD-UHFFFAOYSA-N
HMDB29123,232.105921632,C9H16N2O5,CC(C)C(N)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C9H16N2O5/c1-4(2)7(10)8(14)11-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)",OBTCMSPFOITUIJ,UHFFFAOYSA,N,Valyl-Aspartate,OBTCMSPFOITUIJ-UHFFFAOYSA-N
HMDB29124,220.088163078,C8H16N2O3S,CC(C)C(N)C(=O)NC(CS)C(O)=O,"InChI=1S/C8H16N2O3S/c1-4(2)6(9)7(11)10-5(3-14)8(12)13/h4-6,14H,3,9H2,1-2H3,(H,10,11)(H,12,13)",WPSXZFTVLIAPCN,UHFFFAOYSA,N,Valyl-Cysteine,WPSXZFTVLIAPCN-UHFFFAOYSA-N
HMDB29125,245.137556111,C10H19N3O4,CC(C)C(N)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)",XXDVDTMEVBYRPK,UHFFFAOYSA,N,Valyl-Glutamine,XXDVDTMEVBYRPK-UHFFFAOYSA-N
HMDB29126,245.113746664,C10H17N2O5,CC(C)C(N)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C10H18N2O5/c1-5(2)8(11)9(15)12-6(10(16)17)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/p-1",UPJONISHZRADBH,UHFFFAOYSA,M,Valyl-Glutamate,UPJONISHZRADBH-UHFFFAOYSA-M
HMDB29127,174.100442324,C7H14N2O3,CC(C)C(N)C(=O)NCC(O)=O,"InChI=1S/C7H14N2O3/c1-4(2)6(8)7(12)9-3-5(10)11/h4,6H,3,8H2,1-2H3,(H,9,12)(H,10,11)",IOUPEELXVYPCPG,UHFFFAOYSA,N,Valyl-Glycine,IOUPEELXVYPCPG-UHFFFAOYSA-N
HMDB29128,230.126657074,C10H18N2O4,CC(C)C(N)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C10H18N2O4/c1-5(2)8(11)9(14)12-4-6(13)3-7(12)10(15)16/h5-8,13H,3-4,11H2,1-2H3,(H,15,16)",IMOKOCYUKGZZAG,UHFFFAOYSA,N,Valyl-Hydroxyproline,IMOKOCYUKGZZAG-UHFFFAOYSA-N
HMDB29129,254.137890462,C11H18N4O3,CC(C)C(N)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C11H18N4O3/c1-6(2)9(12)10(16)15-8(11(17)18)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)",BNQVUHQWZGTIBX,UHFFFAOYSA,N,Valyl-Histidine,BNQVUHQWZGTIBX-UHFFFAOYSA-N
HMDB29130,230.16304258,C11H22N2O3,CCC(C)C(NC(=O)C(N)C(C)C)C(O)=O,"InChI=1S/C11H22N2O3/c1-5-7(4)9(11(15)16)13-10(14)8(12)6(2)3/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)",PNVLWFYAPWAQMU,UHFFFAOYSA,N,Valyl-Isoleucine,PNVLWFYAPWAQMU-UHFFFAOYSA-N
HMDB29131,230.16304258,C11H22N2O3,CC(C)CC(NC(=O)C(N)C(C)C)C(O)=O,"InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)",XCTHZFGSVQBHBW,UHFFFAOYSA,N,Valyl-Leucine,XCTHZFGSVQBHBW-UHFFFAOYSA-N
HMDB29132,245.173941617,C11H23N3O3,CC(C)C(N)C(=O)NC(CCCCN)C(O)=O,"InChI=1S/C11H23N3O3/c1-7(2)9(13)10(15)14-8(11(16)17)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)",JKHXYJKMNSSFFL,UHFFFAOYSA,N,Valyl-Lysine,JKHXYJKMNSSFFL-UHFFFAOYSA-N
HMDB29133,248.119463206,C10H20N2O3S,CSCCC(NC(=O)C(N)C(C)C)C(O)=O,"InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)",YSGSDAIMSCVPHG,UHFFFAOYSA,N,Valyl-Methionine,YSGSDAIMSCVPHG-UHFFFAOYSA-N
HMDB29134,264.147392516,C14H20N2O3,CC(C)C(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)",GJNDXQBALKCYSZ,UHFFFAOYSA,N,Valyl-Phenylalanine,GJNDXQBALKCYSZ-UHFFFAOYSA-N
HMDB29135,214.131742452,C10H18N2O3,CC(C)C(N)C(=O)N1CCCC1C(O)=O,"InChI=1S/C10H18N2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)",GIAZPLMMQOERPN,UHFFFAOYSA,N,Valyl-Proline,GIAZPLMMQOERPN-UHFFFAOYSA-N
HMDB29136,204.11100701,C8H16N2O4,CC(C)C(N)C(=O)NC(CO)C(O)=O,"InChI=1S/C8H16N2O4/c1-4(2)6(9)7(12)10-5(3-11)8(13)14/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)",STTYIMSDIYISRG,UHFFFAOYSA,N,Valyl-Serine,STTYIMSDIYISRG-UHFFFAOYSA-N
HMDB29137,218.126657074,C9H18N2O4,CC(C)C(N)C(=O)NC(C(C)O)C(O)=O,"InChI=1S/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)",GVRKWABULJAONN,UHFFFAOYSA,N,Valyl-Threonine,GVRKWABULJAONN-UHFFFAOYSA-N
HMDB29138,303.158291553,C16H21N3O3,CC(C)C(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)",LZDNBBYBDGBADK,UHFFFAOYSA,N,Valyl-Tryptophan,LZDNBBYBDGBADK-UHFFFAOYSA-N
HMDB29139,280.142307138,C14H20N2O4,CC(C)C(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)",VEYJKJORLPYVLO,UHFFFAOYSA,N,Valyl-Tyrosine,VEYJKJORLPYVLO-UHFFFAOYSA-N
HMDB29140,216.147392516,C10H20N2O3,CC(C)C(N)C(=O)NC(C(C)C)C(O)=O,"InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)",KRNYOVHEKOBTEF,UHFFFAOYSA,N,Valyl-Valine,KRNYOVHEKOBTEF-UHFFFAOYSA-N
HMDB29141,245.137556111,C10H19N3O4,CC(C)C(N)C(=O)NC(=O)CCC(N)C(O)=O,"InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-7(14)4-3-6(11)10(16)17/h5-6,8H,3-4,11-12H2,1-2H3,(H,16,17)(H,13,14,15)",RNVIUPLZMWAIQD,UHFFFAOYSA,N,Valyl-Gamma-glutamate,RNVIUPLZMWAIQD-UHFFFAOYSA-N
HMDB29142,217.106255983,C8H15N3O4,CC(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C8H15N3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)",FAQVCWVVIYYWRR,UHFFFAOYSA,N,Gamma-glutamyl-Alanine,FAQVCWVVIYYWRR-UHFFFAOYSA-N
HMDB29143,302.170253222,C11H22N6O4,NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C11H22N6O4/c12-6(3-4-8(13)18)9(19)17-7(10(20)21)2-1-5-16-11(14)15/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)",OPINTGHFESTVAX,UHFFFAOYSA,N,Gamma-glutamyl-Arginine,OPINTGHFESTVAX-UHFFFAOYSA-N
HMDB29144,260.112069642,C9H16N4O5,NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(O)=O,"InChI=1S/C9H16N4O5/c10-4(1-2-6(11)14)8(16)13-5(9(17)18)3-7(12)15/h4-5H,1-3,10H2,(H2,11,14)(H2,12,15)(H,13,16)(H,17,18)",DXJZITDUDUPINW,UHFFFAOYSA,N,Gamma-glutamyl-Asparagine,DXJZITDUDUPINW-UHFFFAOYSA-N
HMDB29145,261.096085227,C9H15N3O6,NC(CCC(N)=O)C(=O)NC(CC(O)=O)C(O)=O,"InChI=1S/C9H15N3O6/c10-4(1-2-6(11)13)8(16)12-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)",SSHIXEILTLPAQT,UHFFFAOYSA,N,Gamma-glutamyl-Aspartate,SSHIXEILTLPAQT-UHFFFAOYSA-N
HMDB29146,249.078326673,C8H15N3O4S,NC(CCC(N)=O)C(=O)NC(CS)C(O)=O,"InChI=1S/C8H15N3O4S/c9-4(1-2-6(10)12)7(13)11-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H2,10,12)(H,11,13)(H,14,15)",XIPZDANNDPMZGQ,UHFFFAOYSA,N,Gamma-glutamyl-Cysteine,XIPZDANNDPMZGQ-UHFFFAOYSA-N
HMDB29147,274.127719706,C10H18N4O5,NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(O)=O,"InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)",LOJYQMFIIJVETK,UHFFFAOYSA,N,Gamma-glutamyl-Glutamine,LOJYQMFIIJVETK-UHFFFAOYSA-N
HMDB29148,274.103910259,C10H16N3O6,NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C([O-])=O,"InChI=1S/C10H17N3O6/c11-5(1-3-7(12)14)9(17)13-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/p-1",OWOFCNWTMWOOJJ,UHFFFAOYSA,M,Gamma-glutamyl-Glutamate,OWOFCNWTMWOOJJ-UHFFFAOYSA-M
HMDB29149,203.090605919,C7H13N3O4,NC(CCC(N)=O)C(=O)NCC(O)=O,"InChI=1S/C7H13N3O4/c8-4(1-2-5(9)11)7(14)10-3-6(12)13/h4H,1-3,8H2,(H2,9,11)(H,10,14)(H,12,13)",JEFZIKRIDLHOIF,UHFFFAOYSA,N,Gamma-glutamyl-Glycine,JEFZIKRIDLHOIF-UHFFFAOYSA-N
HMDB29150,259.116820669,C10H17N3O5,NC(CCC(N)=O)C(=O)N1CC(O)CC1C(O)=O,"InChI=1S/C10H17N3O5/c11-6(1-2-8(12)15)9(16)13-4-5(14)3-7(13)10(17)18/h5-7,14H,1-4,11H2,(H2,12,15)(H,17,18)",HNXKAWFNQGNMNH,UHFFFAOYSA,N,Gamma-glutamyl-Hydroxyproline,HNXKAWFNQGNMNH-UHFFFAOYSA-N
HMDB29151,283.128054057,C11H17N5O4,NC(CCC(N)=O)C(=O)NC(CC1=CN=CN1)C(O)=O,"InChI=1S/C11H17N5O4/c12-7(1-2-9(13)17)10(18)16-8(11(19)20)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)",JZOYFBPIEHCDFV,UHFFFAOYSA,N,Gamma-glutamyl-Histidine,JZOYFBPIEHCDFV-UHFFFAOYSA-N
HMDB29152,259.153206175,C11H21N3O4,CCC(C)C(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C11H21N3O4/c1-3-6(2)9(11(17)18)14-10(16)7(12)4-5-8(13)15/h6-7,9H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)",XITLYYAIPBBHPX,UHFFFAOYSA,N,Gamma-glutamyl-Isoleucine,XITLYYAIPBBHPX-UHFFFAOYSA-N
HMDB29153,259.153206175,C11H21N3O4,CC(C)CC(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C11H21N3O4/c1-6(2)5-8(11(17)18)14-10(16)7(12)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)",ARPVSMCNIDAQBO,UHFFFAOYSA,N,Gamma-glutamyl-Leucine,ARPVSMCNIDAQBO-UHFFFAOYSA-N
HMDB29154,274.164105212,C11H22N4O4,NCCCCC(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C11H22N4O4/c12-6-2-1-3-8(11(18)19)15-10(17)7(13)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)",CLSDNFWKGFJIBZ,UHFFFAOYSA,N,Gamma-glutamyl-Lysine,CLSDNFWKGFJIBZ-UHFFFAOYSA-N
HMDB29155,277.109626801,C10H19N3O4S,CSCCC(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C10H19N3O4S/c1-18-5-4-7(10(16)17)13-9(15)6(11)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)",SIGGQAHUPUBWNF,UHFFFAOYSA,N,Gamma-glutamyl-Methionine,SIGGQAHUPUBWNF-UHFFFAOYSA-N
HMDB29156,293.137556111,C14H19N3O4,NC(CCC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C14H19N3O4/c15-10(6-7-12(16)18)13(19)17-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H2,16,18)(H,17,19)(H,20,21)",VHLZDSUANXBJHW,UHFFFAOYSA,N,Gamma-glutamyl-Phenylalanine,VHLZDSUANXBJHW-UHFFFAOYSA-N
HMDB29157,243.121906047,C10H17N3O4,NC(CCC(N)=O)C(=O)N1CCCC1C(O)=O,"InChI=1S/C10H17N3O4/c11-6(3-4-8(12)14)9(15)13-5-1-2-7(13)10(16)17/h6-7H,1-5,11H2,(H2,12,14)(H,16,17)",NJMYZEJORPYOTO,UHFFFAOYSA,N,Gamma-glutamyl-Proline,NJMYZEJORPYOTO-UHFFFAOYSA-N
HMDB29158,233.101170605,C8H15N3O5,NC(CCC(N)=O)C(=O)NC(CO)C(O)=O,"InChI=1S/C8H15N3O5/c9-4(1-2-6(10)13)7(14)11-5(3-12)8(15)16/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)",UKKNTTCNGZLJEX,UHFFFAOYSA,N,Gamma-glutamyl-Serine,UKKNTTCNGZLJEX-UHFFFAOYSA-N
HMDB29159,247.116820669,C9H17N3O5,CC(O)C(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C9H17N3O5/c1-4(13)7(9(16)17)12-8(15)5(10)2-3-6(11)14/h4-5,7,13H,2-3,10H2,1H3,(H2,11,14)(H,12,15)(H,16,17)",HHSJMSCOLJVTCX,UHFFFAOYSA,N,Gamma-glutamyl-Threonine,HHSJMSCOLJVTCX-UHFFFAOYSA-N
HMDB29160,332.148455148,C16H20N4O4,NC(CCC(N)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C16H20N4O4/c17-11(5-6-14(18)21)15(22)20-13(16(23)24)7-9-8-19-12-4-2-1-3-10(9)12/h1-4,8,11,13,19H,5-7,17H2,(H2,18,21)(H,20,22)(H,23,24)",ZQFAGNFSIZZYBA,UHFFFAOYSA,N,Gamma-glutamyl-Tryptophan,ZQFAGNFSIZZYBA-UHFFFAOYSA-N
HMDB29161,309.132470733,C14H19N3O5,NC(CCC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C14H19N3O5/c15-10(5-6-12(16)19)13(20)17-11(14(21)22)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)",KGNSGRRALVIRGR,UHFFFAOYSA,N,gln-tyr,KGNSGRRALVIRGR-UHFFFAOYSA-N
HMDB29162,245.137556111,C10H19N3O4,CC(C)C(NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C10H19N3O4/c1-5(2)8(10(16)17)13-9(15)6(11)3-4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)",MRVYVEQPNDSWLH,UHFFFAOYSA,N,Gamma-glutamyl-Valine,MRVYVEQPNDSWLH-UHFFFAOYSA-N
HMDB29163,274.127719706,C10H18N4O5,NC(CCC(=O)NC(=O)C(N)CCC(N)=O)C(O)=O,"InChI=1S/C10H18N4O5/c11-5(1-3-7(13)15)9(17)14-8(16)4-2-6(12)10(18)19/h5-6H,1-4,11-12H2,(H2,13,15)(H,18,19)(H,14,16,17)",YWPMFELGYPTDIO,UHFFFAOYSA,N,Gamma-glutamyl-Gamma-glutamate,YWPMFELGYPTDIO-UHFFFAOYSA-N
HMDB29164,452.13186161,C21H24O11,OCC1OC(OC2=CC(=CC=C2O)C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16?,17+,18-,19-,20?,21?/m0/s1",ZZTOVZGFHZQEAT,JUZNXHDUSA,N,(-)-epicatechin-3'-O-glucuronide,ZZTOVZGFHZQEAT-JUZNXHDUSA-N
HMDB29165,128.083729628,C7H12O2,CC(=O)CCCC(C)=O,"InChI=1S/C7H12O2/c1-6(8)4-3-5-7(2)9/h3-5H2,1-2H3",VAIFYHGFLAPCON,UHFFFAOYSA,N,"1,3-Diacetylpropane",VAIFYHGFLAPCON-UHFFFAOYSA-N
HMDB29166,132.07864425,C6H12O3,CCC(O)C(C)C(O)=O,"InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)",NVIHALDXJWGLFD,UHFFFAOYSA,N,2-Methyl-3-hydroxyvaleric acid,NVIHALDXJWGLFD-UHFFFAOYSA-N
HMDB29167,160.073558872,C7H12O4,CC(CCCC(O)=O)C(O)=O,"InChI=1S/C7H12O4/c1-5(7(10)11)3-2-4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)",JZUMVFMLJGSMRF,UHFFFAOYSA,N,2-Methyladipic acid,JZUMVFMLJGSMRF-UHFFFAOYSA-N
HMDB29168,131.094628665,C6H13NO2,CCCC(N)CC(O)=O,"InChI=1S/C6H13NO2/c1-2-3-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",YIJFIIXHVSHQEN,UHFFFAOYSA,N,3-Aminocaproic acid,YIJFIIXHVSHQEN-UHFFFAOYSA-N
HMDB29169,176.068473494,C7H12O5,CCC(C(O)CC(O)=O)C(O)=O,"InChI=1S/C7H12O5/c1-2-4(7(11)12)5(8)3-6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)",WOBKEWPFNDXDDF,UHFFFAOYSA,N,3-Hydroxy-2-methylglutarate,WOBKEWPFNDXDDF-UHFFFAOYSA-N
HMDB29170,198.05282343,C9H10O5,COC1=C(O)C=C(C=C1)[C@@H](O)C(O)=O,"InChI=1S/C9H10O5/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m1/s1",PXMUSCHKJYFZFD,MRVPVSSYSA,N,3-Hydroxy-4-methoxymandelate,PXMUSCHKJYFZFD-MRVPVSSYSA-N
HMDB29171,144.042258744,C6H8O4,[H]OC(=O)CC1([H])CCC(=O)O1,"InChI=1S/C6H8O4/c7-5(8)3-4-1-2-6(9)10-4/h4H,1-3H2,(H,7,8)",BWEICTHJUIJQPH,UHFFFAOYSA,N,"3-Hydroxyadipic acid 3,6-lactone",BWEICTHJUIJQPH-UHFFFAOYSA-N
HMDB29172,115.03951909,C5H7O3,CC(C(C)=O)C([O-])=O,"InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)/p-1",GCXJINGJZAOJHR,UHFFFAOYSA,M,3-keto-2-Methylbutyrate,GCXJINGJZAOJHR-UHFFFAOYSA-M
HMDB29174,691.515204861,C37H74NO8P,[H][N]([H])([H+])CCOP([O-])(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)",RFJQNULIDFTTLL,UHFFFAOYSA,N,3-Sn-phosphatidylethanolamine,RFJQNULIDFTTLL-UHFFFAOYSA-N
HMDB29175,304.094688244,C16H16O6,COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2,"InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1",NJHJXXLBWQXMRO,CZUORRHYSA,N,3'-O-methyl-(-)-epicatechin,NJHJXXLBWQXMRO-CZUORRHYSA-N
HMDB29176,351.053848524,C16H15O7S,COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(=CC(O)=C2)S([O-])=O,"InChI=1S/C16H16O7S/c1-22-14-4-8(2-3-11(14)18)16-12(19)7-10-13(23-16)5-9(17)6-15(10)24(20)21/h2-6,12,16-19H,7H2,1H3,(H,20,21)/p-1/t12-,16-/m1/s1",OMVRUQZBAZIVBR,MLGOLLRUSA,M,3'-O-Methyl-(-)-epicatechin-5-O-sulphate,OMVRUQZBAZIVBR-MLGOLLRUSA-M
HMDB29177,367.048763146,C16H15O8S,COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OS([O-])=O)=C2,"InChI=1S/C16H16O8S/c1-22-15-4-8(2-3-11(15)17)16-13(19)7-10-12(18)5-9(24-25(20)21)6-14(10)23-16/h2-6,13,16-19H,7H2,1H3,(H,20,21)/p-1/t13-,16-/m1/s1",HWSSTYCNIRKMBH,CZUORRHYSA,M,3'-O-Methyl-(-)-epicatechin-7-O-sulphate,HWSSTYCNIRKMBH-CZUORRHYSA-M
HMDB29178,164.061948328,C5H12N2O2S,[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])SC([H])([H])C([H])([H])N([H])[H],"InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",GHSJKUNUIHUPDF,BYPYZUCNSA,N,4-Thialysine,GHSJKUNUIHUPDF-BYPYZUCNSA-N
HMDB29179,304.094688244,C16H16O6,COC1=CC=C(C=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2,"InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1",ZHDMPVIDHWJGTN,CZUORRHYSA,N,4'-O-methyl-(-)-epicatechin,ZHDMPVIDHWJGTN-CZUORRHYSA-N
HMDB29180,494.142426296,C23H26O12,COCC1=CC=C(C=C1O[C@@H]1OC([C@@H](O)[C@H](O)C1O)C(O)=O)C1OC2=CC(O)=CC(O)=C2C[C@@H]1O,"InChI=1S/C23H26O12/c1-32-8-10-3-2-9(20-14(26)7-12-13(25)5-11(24)6-16(12)33-20)4-15(10)34-23-19(29)17(27)18(28)21(35-23)22(30)31/h2-6,14,17-21,23-29H,7-8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1",FSEFRWXTJLHUBQ,QHZMYPFFSA,N,4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,FSEFRWXTJLHUBQ-QHZMYPFFSA-N
HMDB29181,478.147511674,C23H26O11,CCC1=CC=C(C=C1O)C1OC2=CC(O)=CC(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)=C2C[C@@H]1O,"InChI=1S/C23H26O11/c1-2-9-3-4-10(5-13(9)25)20-14(26)8-12-15(32-20)6-11(24)7-16(12)33-23-19(29)17(27)18(28)21(34-23)22(30)31/h3-7,14,17-21,23-29H,2,8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1",MUYXNRKLXILZTM,QHZMYPFFSA,N,4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,MUYXNRKLXILZTM-QHZMYPFFSA-N
HMDB29182,351.053848524,C16H15O7S,COC1=CC=C(C=C1O)[C@H]1OC2=C(C[C@H]1O)C(=CC(O)=C2)S([O-])=O,"InChI=1S/C16H16O7S/c1-22-13-3-2-8(4-11(13)18)16-12(19)7-10-14(23-16)5-9(17)6-15(10)24(20)21/h2-6,12,16-19H,7H2,1H3,(H,20,21)/p-1/t12-,16-/m1/s1",HRNHDBYAOGNRGL,MLGOLLRUSA,M,4'-O-Methyl-(-)-epicatechin-5-O-sulphate,HRNHDBYAOGNRGL-MLGOLLRUSA-M
HMDB29183,478.147511674,C23H26O11,CCC1=CC=C(C=C1O)C1OC2=CC(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)=CC(O)=C2C[C@@H]1O,"InChI=1S/C23H26O11/c1-2-9-3-4-10(5-13(9)24)20-15(26)8-12-14(25)6-11(7-16(12)33-20)32-23-19(29)17(27)18(28)21(34-23)22(30)31/h3-7,15,17-21,23-29H,2,8H2,1H3,(H,30,31)/t15-,17-,18-,19?,20?,21?,23+/m0/s1",WWUOCDVEANIMJR,PJNUPCPCSA,N,4'-O-methyl-(-)-epicatechin-7-O-beta-glucuronide,WWUOCDVEANIMJR-PJNUPCPCSA-N
HMDB29184,351.053848524,C16H15O7S,COC1=CC=C(C=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(=C2)S([O-])=O,"InChI=1S/C16H16O7S/c1-22-14-3-2-8(4-12(14)18)16-13(19)7-10-11(17)5-9(24(20)21)6-15(10)23-16/h2-6,13,16-19H,7H2,1H3,(H,20,21)/p-1/t13-,16-/m1/s1",JENKBLJXTTYNTJ,CZUORRHYSA,M,4'-O-Methyl-(-)-epicatechin-7-O-sulphate,JENKBLJXTTYNTJ-CZUORRHYSA-M
HMDB29185,208.073558872,C11H12O4,OC1=C(O)C=C(CC2CCC(=O)O2)C=C1,"InChI=1S/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2",ZNXXWTPQHVLMQT,UHFFFAOYSA,N,"5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone",ZNXXWTPQHVLMQT-UHFFFAOYSA-N
HMDB29187,210.089208936,C11H14O4,OC1CCC(CC2=CC(O)=CC(O)=C2)O1,"InChI=1S/C11H14O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10-14H,1-2,5H2",NYNURYJSLOFNTQ,UHFFFAOYSA,N,"5-(3',5')-Dihydroxyphenyl-gamma-valerolactone",NYNURYJSLOFNTQ-UHFFFAOYSA-N
HMDB29188,141.018783648,C6H5O4,OCC1=CC=C(O1)C([O-])=O,"InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)/p-1",PCSKKIUURRTAEM,UHFFFAOYSA,M,5-Hydroxymethyl-2-furanoate,PCSKKIUURRTAEM-UHFFFAOYSA-M
HMDB29189,217.107598654,C10H17O5,OC(CCCCC([O-])=O)CCCC(O)=O,"InChI=1S/C10H18O5/c11-8(5-3-7-10(14)15)4-1-2-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)/p-1",QDRVFLVAMSWLBA,UHFFFAOYSA,M,5-Hydroxysebacate,QDRVFLVAMSWLBA-UHFFFAOYSA-M
HMDB29190,398.121296924,C18H22O10,OC1C(O)C(O)C(C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C1O)C(O)=O,"InChI=1S/C18H22O10/c19-9-3-1-7(5-8-2-4-11(20)27-8)6-10(9)28-17-12(18(25)26)13(21)14(22)15(23)16(17)24/h1,3,6,8,12-17,19,21-24H,2,4-5H2,(H,25,26)",RALBOGKBFZBDKY,UHFFFAOYSA,N,"5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide",RALBOGKBFZBDKY-UHFFFAOYSA-N
HMDB29191,288.030373428,C11H12O7S,OC1=CC=C(CC2CCC(=O)O2)C=C1OS(O)(=O)=O,"InChI=1S/C11H12O7S/c12-9-3-1-7(5-8-2-4-11(13)17-8)6-10(9)18-19(14,15)16/h1,3,6,8,12H,2,4-5H2,(H,14,15,16)",YAXFVDUJDAQPTJ,UHFFFAOYSA,N,"5'-(3',4'-Dihydroxyphenyl)-gamma-valerolactone sulfate",YAXFVDUJDAQPTJ-UHFFFAOYSA-N
HMDB29194,454.066674535,C20H19ClO10,[Cl-].OC1COC(OC2=CC3=C(O)C=C(O)C=C3[O]=C2C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C20H19O10.ClH/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8;/h1-6,14,17-18,20-27H,7H2;1H/p-1",SUWQOXQHTBNOSP,UHFFFAOYSA,M,Cyanidin-3-arabinoside,SUWQOXQHTBNOSP-UHFFFAOYSA-M
HMDB29195,484.077239221,C21H21ClO11,[Cl-].OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O]=C2C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H21O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-29H,7H2;1H/p-1",FYKHPEAKNQVJNQ,UHFFFAOYSA,M,Cyanidin-3-galactoside,FYKHPEAKNQVJNQ-UHFFFAOYSA-M
HMDB29196,164.068473494,C6H12O5,C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1",SHZGCJCMOBCMKK,PHYPRBDBSA,N,D-Fucose,SHZGCJCMOBCMKK-PHYPRBDBSA-N
HMDB29198,88.063662888,C3H8N2O,CNC(=O)NC,"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)",MGJKQDOBUOMPEZ,UHFFFAOYSA,N,Dimethylurea,MGJKQDOBUOMPEZ-UHFFFAOYSA-N
HMDB29199,326.063782046,C14H14O9,COC1=CC(\C=C\C(=O)OC(C(O)C(O)=O)C(O)=O)=CC=C1O,"InChI=1S/C14H14O9/c1-22-9-6-7(2-4-8(9)15)3-5-10(16)23-12(14(20)21)11(17)13(18)19/h2-6,11-12,15,17H,1H3,(H,18,19)(H,20,21)/b5-3+",XIWXUSFCUBAMFH,HWKANZROSA,N,Fertaric acid,XIWXUSFCUBAMFH-HWKANZROSA-N
HMDB29200,274.014723364,C10H10O7S,COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1,"InChI=1S/C10H10O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+",PZPATWACAAOHTJ,HWKANZROSA,N,Ferulic acid 4-sulfate,PZPATWACAAOHTJ-HWKANZROSA-N
HMDB29201,179.94654876,Hf,[Hf],InChI=1S/Hf,VBJZVLUMGGDVMO,UHFFFAOYSA,N,Hafnium,VBJZVLUMGGDVMO-UHFFFAOYSA-N
HMDB29202,382.035852736,C16H14O9S,COC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O1)C=C(O)C=C2O,"InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)",AXWNOFHBYPBYNO,UHFFFAOYSA,N,hesperetin 3'-O-sulfate,AXWNOFHBYPBYNO-UHFFFAOYSA-N
HMDB29203,466.111126168,C21H22O12,COC1=CC=C(C=C1O)C1COC2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1,"InChI=1S/C21H22O12/c1-29-12-3-2-8(4-10(12)22)14-7-30-18-11(23)5-9(6-13(18)32-14)31-21-17(26)15(24)16(25)19(33-21)20(27)28/h2-6,14-17,19,21-26H,7H2,1H3,(H,27,28)",PLNORHFXCFFTRD,UHFFFAOYSA,N,hesperetin-7-O-glucuronide,PLNORHFXCFFTRD-UHFFFAOYSA-N
HMDB29205,635.488990111,C34H70NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C34H70NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(37)40-31-33(36)32-42-43(38,39)41-30-29-35(2,3)4/h33,36H,5-32H2,1-4H3/t33-/m1/s1",WSDKRPCAPHRNNZ,MGBGTMOVSA,N,lysoPC(26:0),WSDKRPCAPHRNNZ-MGBGTMOVSA-N
HMDB29206,663.520290239,C36H74NO7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C36H74NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36(39)42-33-35(38)34-44-45(40,41)43-32-31-37(2,3)4/h35,38H,5-34H2,1-4H3/t35-/m1/s1",VPAMUPUPKCTFGJ,PGUFJCEWSA,N,lysoPC(28:0),VPAMUPUPKCTFGJ-PGUFJCEWSA-N
HMDB29207,355.175988831,C14H30NO7P,[H][C@@](O)(COC(=O)CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C14H30NO7P/c1-5-6-7-8-14(17)20-11-13(16)12-22-23(18,19)21-10-9-15(2,3)4/h13,16H,5-12H2,1-4H3/t13-/m1/s1",WDNDPXJAUNUOFK,CYBMUJFWSA,N,lysoPC(6:0),WDNDPXJAUNUOFK-CYBMUJFWSA-N
HMDB29208,448.100561482,C21H20O11,OC1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)OC([C@H]1O)C(O)=O,"InChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16?,17-,18+,19?,21+/m0/s1",DFIUUCDSSKATFP,GUOJJKSBSA,N,naringenin-4'-O-glucuronide,DFIUUCDSSKATFP-GUOJJKSBSA-N
HMDB29209,448.100561482,C21H20O11,OC1C(O)C(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)OC(C1O)C(O)=O,"InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)",BDCRTIDKZGEVEN,UHFFFAOYSA,N,naringenin-7-O-glucuronide,BDCRTIDKZGEVEN-UHFFFAOYSA-N
HMDB29210,498.092889285,C22H23ClO11,[Cl-].COC1=C(O)C=CC(=C1)C1=[O]C2=CC(O)=CC(O)=C2C=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C22H23O11.ClH/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22;/h2-7,17-20,22-29H,8H2,1H3;1H/p-1",YLVGAYNXJPNMFQ,UHFFFAOYSA,M,Peonidin-3-galactoside,YLVGAYNXJPNMFQ-UHFFFAOYSA-M
HMDB29212,478.074740662,C21H18O13,OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)",DUBCCGAQYVUYEU,UHFFFAOYSA,N,Quercetin 3-O-glucuronide,DUBCCGAQYVUYEU-UHFFFAOYSA-N
HMDB29213,480.090390726,C21H20O13,OC1C(O)C(OC2=C(O)C=CC(=C2)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)OC(C1O)C(O)=O,"InChI=1S/C21H20O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14-19,21-24,26-29H,(H,30,31)",HXJMVCQRRSNMPB,UHFFFAOYSA,N,Quercetin-3'-glucuronide,HXJMVCQRRSNMPB-UHFFFAOYSA-N
HMDB29214,478.074740662,C21H18O13,OC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O,"InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)",OUQZCILJSVDJFB,UHFFFAOYSA,N,Quercetin-4'-glucuronide,OUQZCILJSVDJFB-UHFFFAOYSA-N
HMDB29215,232.03805036,Th,[Th],InChI=1S/Th,ZSLUVFAKFWKJRC,UHFFFAOYSA,N,Thorium,ZSLUVFAKFWKJRC-UHFFFAOYSA-N
HMDB29216,715.575399814,C40H80N2O6P,CCCCCCC\C=C\CCCCCCC[C@@H](O)[C@H](COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C\CCCCCC,"InChI=1S/C40H79N2O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-39(43)38(37-48-49(45,46)47-36-35-42(3,4)5)41-40(44)34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17-20,38-39,43H,6-16,21-37H2,1-5H3,(H-,41,44,45,46)/p+1/b19-17+,20-18+/t38-,39+/m0/s1",ZKIVREDSEABFBU,NDBDZNEVSA,O,SM C16:1,ZKIVREDSEABFBU-NDBDZNEVSA-O
HMDB29217,195.089543287,C10H13NO3,COC(=O)[C@@H](N)CC1=CC=C(O)C=C1,"InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1",MWZPENIJLUWBSY,VIFPVBQESA,N,Tyrosine methylester,MWZPENIJLUWBSY-VIFPVBQESA-N
HMDB29218,244.037173366,C13H8O5,OC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1)C(=O)O2,"InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H",HHXMEXZVPJFAIJ,UHFFFAOYSA,N,Urolithin C,HHXMEXZVPJFAIJ-UHFFFAOYSA-N
HMDB29219,260.032087988,C13H8O6,OC1=CC2=C(C=C1O)C1=CC=C(O)C(O)=C1OC2=O,"InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H",NEZDQSKPNPRYAW,UHFFFAOYSA,N,Urolithin D,NEZDQSKPNPRYAW-UHFFFAOYSA-N
HMDB29220,633.473340047,C34H68NO7P,CCCCCCCCCCCCCCCCCCCC\C=C\CCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C34H68NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(37)40-31-33(36)32-42-43(38,39)41-30-29-35(2,3)4/h24-25,33,36H,5-23,26-32H2,1-4H3/b25-24+/t33-/m1/s1",HHNUOPXCCKOIPL,VTFFUMFSSA,N,lysoPC(26:1(5Z)),HHNUOPXCCKOIPL-VTFFUMFSSA-N
HMDB29221,661.504640175,C36H72NO7P,CCCCCCCCCCCCCCCCCCCCCC\C=C\CCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C36H72NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36(39)42-33-35(38)34-44-45(40,41)43-32-31-37(2,3)4/h26-27,35,38H,5-25,28-34H2,1-4H3/b27-26+/t35-/m1/s1",VCXKVGMRVJRCIV,XRKADIMJSA,N,lysoPC(28:1(5Z)),VCXKVGMRVJRCIV-XRKADIMJSA-N
HMDB29222,404.074346732,C19H16O10,OC1C(O)C(OC2=CC=C3C(OC(=O)C4=CC(O)=CC=C34)=C2)OC(C1O)C(O)=O,"InChI=1S/C19H16O10/c20-7-1-3-9-10-4-2-8(6-12(10)28-18(26)11(9)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)",KXBXNRJGUDTJQS,UHFFFAOYSA,N,Urolithin A-3-O-glucuronide,KXBXNRJGUDTJQS-UHFFFAOYSA-N
HMDB29223,179.094628665,C10H13NO2,CC(N)(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)",HYOWVAAEQCNGLE,UHFFFAOYSA,N,alpha-Methylphenylalanine,HYOWVAAEQCNGLE-UHFFFAOYSA-N
HMDB29224,179.094628665,C10H13NO2,CNC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)",SCIFESDRCALIIM,UHFFFAOYSA,N,N-methylphenylalanine,SCIFESDRCALIIM-UHFFFAOYSA-N
HMDB29225,349.200156367,C18H27N3O4,CCC(CC)NC1=C(C=CC(=C1)C(O)=O)N1C(=O)CC[C@@]1(CN)CO,"InChI=1S/C18H27N3O4/c1-3-13(4-2)20-14-9-12(17(24)25)5-6-15(14)21-16(23)7-8-18(21,10-19)11-22/h5-6,9,13,20,22H,3-4,7-8,10-11,19H2,1-2H3,(H,24,25)/t18-/m1/s1",ZEZFFRWWHKSMEB,GOSISDBHSA,N,Coutaric acid,ZEZFFRWWHKSMEB-GOSISDBHSA-N
HMDB29226,222.089208936,C12H14O4,COC1=C(O)C=CC(CC2CCC(=O)O2)=C1,"InChI=1S/C12H14O4/c1-15-11-7-8(2-4-10(11)13)6-9-3-5-12(14)16-9/h2,4,7,9,13H,3,5-6H2,1H3",GCIFEQYZDROELP,UHFFFAOYSA,N,5'-(3'-Methoxy-4'-hydroxyphenyl)-gamma-valerolactone,GCIFEQYZDROELP-UHFFFAOYSA-N
HMDB29227,388.115817616,C20H20O8,COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(O1)C(OC)=C(OC)C=C2O,"InChI=1S/C20H20O8/c1-23-12-7-6-10(8-13(12)24-2)17-20(27-5)16(22)15-11(21)9-14(25-3)18(26-4)19(15)28-17/h6-9,21H,1-5H3",NPMMYTVKEWLZKD,UHFFFAOYSA,N,"5-Hydroxy-3,3',4',7,8-pentamethoxyflavone",NPMMYTVKEWLZKD-UHFFFAOYSA-N
HMDB29228,304.094688244,C16H16O6,CC1[C@@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC=C(O)C(O)=C1,"InChI=1S/C16H16O6/c1-7-14-12(20)5-9(17)6-13(14)22-16(15(7)21)8-2-3-10(18)11(19)4-8/h2-7,15-21H,1H3/t7?,15-,16-/m1/s1",NLCHNUHNZBPKDF,WLZLGPGOSA,N,4-Methyl-epicatechin,NLCHNUHNZBPKDF-WLZLGPGOSA-N
HMDB29229,248.035458806,C9H12O6S,[O-]S([O-])(=O)=O.COC1=CC=C(CCO)C=C1,"InChI=1S/C9H12O2.H2O4S/c1-11-9-4-2-8(3-5-9)6-7-10;1-5(2,3)4/h2-5,10H,6-7H2,1H3;(H2,1,2,3,4)/p-2",SRZCRBFHVMZXGO,UHFFFAOYSA,L,4-Methoxyphenylethanol sulfate,SRZCRBFHVMZXGO-UHFFFAOYSA-L
HMDB29230,159.089543287,C7H13NO3,[H]OC1C[C@H](C([O-])=O)[N+](C)(C)C1,"InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5?,6-/m1/s1",MUNWAHDYFVYIKH,PRJDIBJQSA,N,4-Hydroxystachydrine,MUNWAHDYFVYIKH-PRJDIBJQSA-N
HMDB29231,304.094688244,C16H16O6,C[C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1,"InChI=1S/C16H16O6/c1-16(21)7-10-12(19)5-9(17)6-14(10)22-15(16)8-2-3-11(18)13(20)4-8/h2-6,15,17-21H,7H2,1H3/t15-,16-/m1/s1",BBDWMQGDVLQOSW,HZPDHXFCSA,N,3-Methyl-epicatechin,BBDWMQGDVLQOSW-HZPDHXFCSA-N
HMDB29232,182.057908808,C9H10O4,OC(C(O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C9H10O4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,10-11H,(H,12,13)",BNOUUNAFHCJIJD,UHFFFAOYSA,N,3-Hydroxyphenyllactate,BNOUUNAFHCJIJD-UHFFFAOYSA-N
HMDB29233,210.089208936,C11H14O4,OC(=O)CCCCC1=CC=C(O)C(O)=C1,"InChI=1S/C11H14O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)",KTDWBJGUMIZRHU,UHFFFAOYSA,N,"3,4-Dihydroxyphenylvaleric acid",KTDWBJGUMIZRHU-UHFFFAOYSA-N
HMDB29234,279.074287153,C13H13NO6,OC(=O)CC(NC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C13H13NO6/c15-9-4-1-8(2-5-9)3-6-11(16)14-10(13(19)20)7-12(17)18/h1-6,10,15H,7H2,(H,14,16)(H,17,18)(H,19,20)/b6-3+",FKBRNPNAUOXZMQ,ZZXKWVIFSA,N,N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,FKBRNPNAUOXZMQ-ZZXKWVIFSA-N
HMDB29235,574.126382302,C34H22O9,CC1=C(O)C2=C3C(=C1)C1=C(O)C=C(C=C1OC3(OC1=C2C=CC(O)=C1)C1=C(O)C=C(O)C=C1)C1=CC2=C(O1)C(O)=CC=C2,"InChI=1S/C34H22O9/c1-15-9-21-29-25(39)10-17(26-11-16-3-2-4-23(37)33(16)41-26)12-28(29)43-34(22-8-6-18(35)13-24(22)38)31(21)30(32(15)40)20-7-5-19(36)14-27(20)42-34/h2-14,35-40H,1H3",FWGPZPDSNMFTHJ,UHFFFAOYSA,N,Mulberrofuran P,FWGPZPDSNMFTHJ-UHFFFAOYSA-N
HMDB29236,491.1189512,C23H23O12,CC(=O)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19+,20+,21-,23-/m1/s1",HBXXDBKJLPLXPR,DLBZZEGUSA,O,Cyanidin 3-(6''-acetyl-galactoside),HBXXDBKJLPLXPR-DLBZZEGUSA-O
HMDB29237,549.124430508,C25H25O14,O[C@@H]1[C@@H](COC(=O)CCC(O)=O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O,"InChI=1S/C25H24O14/c26-11-6-14(28)12-8-17(24(37-16(12)7-11)10-1-2-13(27)15(29)5-10)38-25-23(35)22(34)21(33)18(39-25)9-36-20(32)4-3-19(30)31/h1-2,5-8,18,21-23,25,33-35H,3-4,9H2,(H4-,26,27,28,29,30,31)/p+1/t18-,21-,22+,23-,25-/m1/s1",MIYGQTFETYBMKF,WVXUANQFSA,O,Cyanidin 3-(6''-succinyl-glucoside),MIYGQTFETYBMKF-WVXUANQFSA-O
HMDB29238,461.108386514,C22H21O11,CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O,"InChI=1S/C22H20O11/c1-9(23)30-8-18-19(28)20(29)22(33-18)32-17-7-12-14(26)5-11(24)6-16(12)31-21(17)10-2-3-13(25)15(27)4-10/h2-7,18-20,22,28-29H,8H2,1H3,(H3-,24,25,26,27)/p+1/t18-,19-,20+,22+/m1/s1",LKLWQWKPLGSQMZ,JBPLPALLSA,O,Cyanidin 3-O-(6''-acetyl-arabinoside),LKLWQWKPLGSQMZ-JBPLPALLSA-O
HMDB29239,707.161209944,C35H31O16,COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1OC1O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=CC(O)=C2,"InChI=1S/C35H30O16/c1-45-22-9-16(10-23(46-2)28(22)39)32-33(19-13-24(34(43)44)48-20-11-18(37)12-21(49-32)27(19)20)51-35-31(42)30(41)29(40)25(50-35)14-47-26(38)8-5-15-3-6-17(36)7-4-15/h3-13,25,29-31,35,40-42H,14H2,1-2H3,(H3-,36,37,38,39,43,44)/p+1/t25-,29-,30+,31-,35?/m1/s1",GOINLVYYMYVHAQ,CJKUAQFFSA,O,p-Coumaroyl vitisin A,GOINLVYYMYVHAQ-CJKUAQFFSA-O
HMDB29240,625.155730636,C31H29O14,COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(O)C(O)=C1)=CC(O)=C2,"InChI=1S/C31H28O14/c1-40-21-6-13(7-22(41-2)25(21)36)29-30(45-31-28(39)27(38)26(37)23(11-32)44-31)15-10-18(12-3-4-16(34)17(35)5-12)42-19-8-14(33)9-20(43-29)24(15)19/h3-10,23,26-28,31-32,37-39H,11H2,1-2H3,(H3-,33,34,35,36)/p+1/t23-,26-,27+,28-,31+/m1/s1",RFTHDRVOYDHSOC,BGXVWEPQSA,O,Pinotin A,RFTHDRVOYDHSOC-BGXVWEPQSA-O
HMDB29241,549.124430508,C25H25O14,COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2,"InChI=1S/C25H24O14/c1-35-16-4-10(2-3-13(16)27)24-17(7-12-14(28)5-11(26)6-15(12)37-24)38-25-23(34)22(33)21(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,21-23,25,32-34H,8-9H2,1H3,(H3-,26,27,28,29,30)/p+1/t18-,21-,22+,23-,25-/m1/s1",CKJPGRXYFVEMFF,WVXUANQFSA,O,Peonidin 3-(6''-malonyl-glucoside),CKJPGRXYFVEMFF-WVXUANQFSA-O
HMDB29242,783.161997804,C33H35O22,O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)[C@@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C33H34O22/c34-12-4-15(36)13-6-18(30(51-17(13)5-12)11-1-2-14(35)16(37)3-11)52-33-29(48)31(26(45)20(54-33)10-50-24(43)8-22(40)41)55-32-28(47)27(46)25(44)19(53-32)9-49-23(42)7-21(38)39/h1-6,19-20,25-29,31-33,44-48H,7-10H2,(H5-,34,35,36,37,38,39,40,41)/p+1/t19-,20-,25-,26-,27+,28-,29-,31+,32+,33-/m1/s1",CZWPTLXHQVGOCX,ANCFEZFISA,O,Cyanidin 3-O-dimalonyl-laminaribioside,CZWPTLXHQVGOCX-ANCFEZFISA-O
HMDB29243,505.098215758,C23H21O13,O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H]1O,"InChI=1S/C23H20O13/c24-10-4-13(26)11-6-16(22(34-15(11)5-10)9-1-2-12(25)14(27)3-9)35-23-21(32)20(31)17(36-23)8-33-19(30)7-18(28)29/h1-6,17,20-21,23,31-32H,7-8H2,(H4-,24,25,26,27,28,29)/p+1/t17-,20-,21+,23+/m1/s1",VXFDROQYRNLBSO,CPDIYIAASA,O,Cyanidin 3-O-(6''-malonyl-arabinoside),VXFDROQYRNLBSO-CPDIYIAASA-O
HMDB29244,905.235162746,C41H45O23,O[C@@H]1OC(CO[C@H]2[C@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)O[C@H](CO[C@@H]3O[C@H](COC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C41H44O23/c42-17-9-21(45)18-11-25(37(60-24(18)10-17)16-3-5-20(44)23(47)8-16)62-41-38(58-13-26-32(51)35(54)39(56)61-26)34(53)31(50)28(64-41)14-59-40-36(55)33(52)30(49)27(63-40)12-57-29(48)6-2-15-1-4-19(43)22(46)7-15/h1-11,26-28,30-36,38-41,49-56H,12-14H2,(H5-,42,43,44,45,46,47,48)/p+1/t26?,27-,28-,30-,31+,32+,33+,34+,35-,36-,38-,39-,40-,41-/m1/s1",FQGVVPPCIZXSFN,SYBXGXIYSA,O,"Cyanidin 3-O-(2""-xylosyl-6""-(6""'-caffeoyl-glucosyl)-galactoside)",FQGVVPPCIZXSFN-SYBXGXIYSA-O
HMDB29245,949.261377496,C43H49O24,COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC4=CC5=C(O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)[C@H](OCC4O[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O,"InChI=1S/C43H48O24/c1-58-24-7-16(8-25(59-2)31(24)49)3-6-30(48)60-13-28-32(50)35(53)38(56)42(66-28)62-15-29-33(51)36(54)40(61-14-27-34(52)37(55)41(57)64-27)43(67-29)65-26-12-19-21(46)10-18(44)11-23(19)63-39(26)17-4-5-20(45)22(47)9-17/h3-12,27-29,32-38,40-43,50-57H,13-15H2,1-2H3,(H4-,44,45,46,47,48,49)/p+1/t27?,28-,29-,32-,33+,34+,35+,36+,37-,38-,40-,41-,42-,43-/m1/s1",ATUAHHCEJMJXSV,UHLYJCSBSA,O,"Cyanidin 3-O-(2""-xylosyl-6""-(6""'-sinapoyl-glucosyl)-galactoside)",ATUAHHCEJMJXSV-UHLYJCSBSA-O
HMDB29246,919.25081281,C42H47O23,COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC4=CC5=C(O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)[C@H](OCC4O[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O,"InChI=1S/C42H46O23/c1-57-25-8-16(2-5-21(25)45)3-7-30(48)58-13-28-31(49)34(52)37(55)41(64-28)60-15-29-32(50)35(53)39(59-14-27-33(51)36(54)40(56)62-27)42(65-29)63-26-12-19-22(46)10-18(43)11-24(19)61-38(26)17-4-6-20(44)23(47)9-17/h2-12,27-29,31-37,39-42,49-56H,13-15H2,1H3,(H4-,43,44,45,46,47,48)/p+1/t27?,28-,29-,31-,32+,33+,34+,35+,36-,37-,39-,40-,41-,42-/m1/s1",LTQBSQHGAPPKMB,RCSPAENHSA,O,"Cyanidin 3-O-(2""-xylosyl-6""-(6""'-feruloyl-glucosyl)-galactoside)",LTQBSQHGAPPKMB-RCSPAENHSA-O
HMDB29247,551.103695066,C24H23O15,O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O,"InChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/p+1/t16-,20-,21+,22-,24-/m1/s1",FNFHDAUGLIPVPU,XQKZCQIMSA,O,Delphinidin 3-(6''-malonyl-glucoside),FNFHDAUGLIPVPU-XQKZCQIMSA-O
HMDB29248,433.113471892,C21H21O10,OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=CC=C23)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H20O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1-7,17-22,26-28H,8H2,(H2-,23,24,25)/p+1/t17-,18-,19+,20-,21-/m1/s1",RXQNESSHTIRLBK,YMQHIKHWSA,O,Luteolinidin 3-O-glucoside,RXQNESSHTIRLBK-YMQHIKHWSA-O
HMDB29249,271.060648462,C15H11O5,OC1=CC2=[O+]C(=CC=C2C(O)=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C15H10O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1-7H,(H3-,16,17,18,19)/p+1",GDNIGMNXEKGFIP,UHFFFAOYSA,O,Luteolinidin,GDNIGMNXEKGFIP-UHFFFAOYSA-O
HMDB29250,447.107992584,C25H19O8,COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O)C1=CC=C(O)C=C1)=CC(O)=C2,"InChI=1S/C25H18O8/c1-30-20-7-13(8-21(31-2)24(20)29)25-23(28)16-11-17(12-3-5-14(26)6-4-12)32-18-9-15(27)10-19(33-25)22(16)18/h3-11H,1-2H3,(H3-,26,27,28,29)/p+1",PDRWPABNSNPHHW,UHFFFAOYSA,O,Pigment A aglycone,PDRWPABNSNPHHW-UHFFFAOYSA-O
HMDB29251,463.102907206,C25H19O9,COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O)C1=CC=C(O)C(O)=C1)=CC(O)=C2,"InChI=1S/C25H18O9/c1-31-20-6-12(7-21(32-2)24(20)30)25-23(29)14-10-17(11-3-4-15(27)16(28)5-11)33-18-8-13(26)9-19(34-25)22(14)18/h3-10H,1-2H3,(H4-,26,27,28,29,30)/p+1",WFTCHKAQOPLTQR,UHFFFAOYSA,O,Pinotin A aglycone,WFTCHKAQOPLTQR-UHFFFAOYSA-O
HMDB29252,568.179205732,C26H32O14,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2OC2=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=CC(O)=C2)[C@H](O)[C@H]1O,"InChI=1S/C26H32O14/c27-9-17-20(33)22(35)24(40-25-23(36)21(34)18(10-28)38-25)26(39-17)37-16-8-13(30)7-15(32)19(16)14(31)6-3-11-1-4-12(29)5-2-11/h1-2,4-5,7-8,17-18,20-30,32-36H,3,6,9-10H2/t17-,18-,20+,21+,22+,23-,24-,25+,26-/m1/s1",ZPVXZDCYCDBKAJ,UZIOSSNQSA,N,Phloretin xylosyl-galactoside,ZPVXZDCYCDBKAJ-UZIOSSNQSA-N
HMDB29253,290.07903818,C15H14O6,OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1,"InChI=1S/C15H14O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1,3,5-7,16-17,19-21H,2,4H2",CNABJBYLQABXJR,UHFFFAOYSA,N,3-Hydroxyphloretin,CNABJBYLQABXJR-UHFFFAOYSA-N
HMDB29254,716.137734848,C36H28O16,O[C@H]1CC2=C(OC1C1=C3C=C(C=C(O)C(=O)C3=C(O)C(O)=C1)C1OC3=C(C[C@@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C3)C=C(O)C=C2O,"InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34?,35?/m0/s1",KMJPKUVSXFVQGZ,QUWMGRMQSA,N,Isoneotheaflavin 3-O-gallate,KMJPKUVSXFVQGZ-QUWMGRMQSA-N
HMDB29255,442.089996796,C22H18O10,OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1",LSHVYAFMTMFKBA,CTNGQTDRSA,N,(-)-Catechin 3-O-gallate,LSHVYAFMTMFKBA-CTNGQTDRSA-N
HMDB29256,564.126776232,C29H24O12,O[C@H]1CC2=C(OC1C1=CC(O)=C(O)C3=C1C=C(C=C(O)C3=O)C1OC3=C(C[C@@H]1O)C(O)=CC(O)=C3)C=C(O)C=C2O,"InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28?,29?/m0/s1",IPMYMEWFZKHGAX,YFVLFDEISA,N,Isoneotheaflavin,IPMYMEWFZKHGAX-YFVLFDEISA-N
HMDB29258,610.153384912,C27H30O16,OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C(O)=C1,"InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13-,17-,18-,21+,22+,23-,24-,26?,27?/m1/s1",ZLPSOQFIIQIIAX,DAMJSERUSA,N,Luteolin 6-C-glucoside 8-C-arabinoside,ZLPSOQFIIQIIAX-DAMJSERUSA-N
HMDB29259,828.196037586,C35H40O23,OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](COC(=O)CC(O)=O)O[C@@H](OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C(O)=C3)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C35H40O23/c36-8-20-25(45)26(46)27(47)32(55-20)57-29-21(9-51-23(44)7-22(42)43)56-33(30(28(29)48)58-34-31(49)35(50,10-37)11-52-34)53-13-4-16(40)24-17(41)6-18(54-19(24)5-13)12-1-2-14(38)15(39)3-12/h1-6,20-21,25-34,36-40,45-50H,7-11H2,(H,42,43)/t20-,21+,25+,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+/m0/s1",UAGBVLJNVRPERW,FBGGEYGISA,N,Luteolin 7-O-(2-apiosyl-4-glucosyl-6-malonyl)-glucoside,UAGBVLJNVRPERW-FBGGEYGISA-N
HMDB29260,564.147905604,C26H28O14,OC[C@@H]1OC([C@H](O)[C@H]1O)C1=C2OC(=CC(=O)C2=C(O)C(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O)C1=CC=C(O)C=C1,"InChI=1S/C26H28O14/c27-6-12-17(31)21(35)23(37)25(39-12)15-19(33)14-10(30)5-11(8-1-3-9(29)4-2-8)38-24(14)16(20(15)34)26-22(36)18(32)13(7-28)40-26/h1-5,12-13,17-18,21-23,25-29,31-37H,6-7H2/t12-,13+,17-,18+,21+,22-,23-,25?,26?/m1/s1",TUIJPUWSXVFWSH,FBMRRHFKSA,N,Apigenin 6-C-glucoside 8-C-arabinoside,TUIJPUWSXVFWSH-FBMRRHFKSA-N
HMDB29261,418.089996796,C20H18O10,OC[C@@H]1O[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@H]1O,"InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2/t13-,15-,17+,20+/m0/s1",POQICXMTUPVZMX,BQCJVYABSA,N,Kaempferol 3-O-arabinoside,POQICXMTUPVZMX-BQCJVYABSA-N
HMDB29262,788.201122964,C33H40O22,OCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=C(O3)C2=CC(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-10-4-12(38)18-14(5-10)50-29(30(22(18)42)55-33-28(48)25(45)21(41)17(8-36)54-33)9-1-2-13(11(37)3-9)51-32-27(47)24(44)20(40)16(7-35)53-32/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2",JWSWVKOHVSHWQA,UHFFFAOYSA,N,"Quercetin 3,7,4'-O-triglucoside",JWSWVKOHVSHWQA-UHFFFAOYSA-N
HMDB29263,330.073952802,C17H14O7,COC1=CC2=C(C(O)=C1)C(=O)C(OC)=C(O2)C1=CC(O)=C(O)C=C1,"InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3",LUJAXSNNYBCFEE,UHFFFAOYSA,N,"3,7-Dimethylquercetin",LUJAXSNNYBCFEE-UHFFFAOYSA-N
HMDB29264,1096.311855202,C45H60O31,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C45H60O31/c46-7-17-23(53)29(59)34(64)41(68-17)74-38-31(61)25(55)19(9-48)70-43(38)66-14-5-15(52)22-16(6-14)67-36(12-1-3-13(51)4-2-12)37(28(22)58)73-44-40(33(63)27(57)20(10-49)71-44)76-45-39(32(62)26(56)21(11-50)72-45)75-42-35(65)30(60)24(54)18(8-47)69-42/h1-6,17-21,23-27,29-35,38-57,59-65H,7-11H2",DLZIWIUFISZZLL,UHFFFAOYSA,N,Kaempferol 3-O-sophorotrioside 7-O-sophoroside,DLZIWIUFISZZLL-UHFFFAOYSA-N
HMDB29265,1140.295811208,C53H56O28,COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@@H](OC4=C(OC5=CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)O[C@H](COC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O,"InChI=1S/C53H56O28/c1-71-30-14-22(15-31(72-2)38(30)61)5-12-36(60)73-19-33-40(63)44(67)47(70)52(78-33)81-50-45(68)41(64)34(20-74-35(59)11-4-21-3-10-26(56)27(57)13-21)79-53(50)80-49-42(65)37-28(58)16-25(75-51-46(69)43(66)39(62)32(18-54)77-51)17-29(37)76-48(49)23-6-8-24(55)9-7-23/h3-17,32-34,39-41,43-47,50-58,61-64,66-70H,18-20H2,1-2H3/b11-4+,12-5+/t32-,33-,34-,39-,40-,41-,43+,44+,45+,46-,47-,50-,51-,52+,53-/m1/s1",GINCECVAGAWZPZ,LXWFTQFXSA,N,Kaempferol 3-O-sinapoyl-caffeoyl-sophoroside 7-O-glucoside,GINCECVAGAWZPZ-LXWFTQFXSA-N
HMDB29266,1110.285246522,C52H54O27,COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@@H](OC4=C(OC5=CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)O[C@H](COC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O,"InChI=1S/C52H54O27/c1-70-30-15-22(3-11-27(30)56)5-13-36(60)71-19-33-39(62)43(66)46(69)51(76-33)79-49-44(67)40(63)34(20-72-35(59)12-4-21-2-10-26(55)28(57)14-21)77-52(49)78-48-41(64)37-29(58)16-25(73-50-45(68)42(65)38(61)32(18-53)75-50)17-31(37)74-47(48)23-6-8-24(54)9-7-23/h2-17,32-34,38-40,42-46,49-58,61-63,65-69H,18-20H2,1H3/b12-4+,13-5+/t32-,33-,34-,38-,39-,40-,42+,43+,44+,45-,46-,49-,50-,51+,52-/m1/s1",UICLSFURXKZJDP,XVAZHBMXSA,N,Kaempferol 3-O-feruloyl-caffeoyl-sophoroside 7-O-glucoside,UICLSFURXKZJDP-XVAZHBMXSA-N
HMDB29267,978.26411715,C44H50O25,COC1=CC(\C=C\C(=O)OC[C@H]2O[C@H](OC3=C(OC4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O,"InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)50)3-8-27(49)62-15-26-32(53)36(57)41(69-43-38(59)35(56)31(52)25(14-46)66-43)44(67-26)68-40-33(54)28-20(48)11-19(63-42-37(58)34(55)30(51)24(13-45)65-42)12-21(28)64-39(40)17-4-6-18(47)7-5-17/h3-12,24-26,30-32,34-38,41-48,50-53,55-59H,13-15H2,1-2H3/b8-3+/t24-,25-,26-,30-,31-,32-,34+,35+,36+,37-,38-,41-,42-,43+,44-/m1/s1",BKNOQASHVWHHNO,ZMOSUBDASA,N,Kaempferol 3-O-sinapoyl-sophoroside 7-O-glucoside,BKNOQASHVWHHNO-ZMOSUBDASA-N
HMDB29268,934.2379024,C42H46O24,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\C=C\C3=CC=C(O)C(O)=C3)O[C@@H]2OC2=C(OC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C42H46O24/c43-12-23-28(50)32(54)35(57)40(62-23)60-18-10-21(48)27-22(11-18)61-37(16-3-5-17(45)6-4-16)38(31(27)53)65-42-39(66-41-36(58)33(55)29(51)24(13-44)63-41)34(56)30(52)25(64-42)14-59-26(49)8-2-15-1-7-19(46)20(47)9-15/h1-11,23-25,28-30,32-36,39-48,50-52,54-58H,12-14H2/b8-2+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,36-,39-,40-,41+,42-/m1/s1",MXOAIKMAXCNIJH,FOTKSCGOSA,N,Kaempferol 3-O-caffeoyl-sophoroside 7-O-glucoside,MXOAIKMAXCNIJH-FOTKSCGOSA-N
HMDB29269,948.253552464,C43H48O24,COC1=CC(\C=C\C(=O)OC[C@H]2O[C@H](OC3=C(OC4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)=CC=C1O,"InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)60-15-26-31(52)35(56)40(67-42-37(58)34(55)30(51)25(14-45)64-42)43(65-26)66-39-32(53)28-21(48)11-19(61-41-36(57)33(54)29(50)24(13-44)63-41)12-23(28)62-38(39)17-4-6-18(46)7-5-17/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3/b9-3+/t24-,25-,26-,29-,30-,31-,33+,34+,35+,36-,37-,40-,41-,42+,43-/m1/s1",IZYVWRVNTCGCKC,YDGQQEEZSA,N,Kaempferol 3-O-feruloyl-sophoroside 7-O-glucoside,IZYVWRVNTCGCKC-YDGQQEEZSA-N
HMDB29270,712.148693464,C30H32O20,OCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(OC2OC(COC(=O)CC(O)=O)C(O)C(O)C2O)=C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C30H32O20/c31-7-15-20(38)23(41)25(43)29(48-15)46-10-4-13(34)19-14(5-10)47-27(9-1-2-11(32)12(33)3-9)28(22(19)40)50-30-26(44)24(42)21(39)16(49-30)8-45-18(37)6-17(35)36/h1-5,15-16,20-21,23-26,29-34,38-39,41-44H,6-8H2,(H,35,36)",ZLQYEKDHCDLAGO,UHFFFAOYSA,N,"Quercetin 3-O-(6""-malonyl-glucoside) 7-O-glucoside",ZLQYEKDHCDLAGO-UHFFFAOYSA-N
HMDB29271,506.10604079,C23H22O13,CC(=O)OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",IGLUNMMNDNWZOA,LNNZMUSMSA,N,Quercetin 3-O-(6''-acetyl-glucoside),IGLUNMMNDNWZOA-LNNZMUSMSA-N
HMDB29272,358.068867424,C18H14O8,COC1=C(O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O1)C=C1OCOC1=C2O,"InChI=1S/C18H14O8/c1-22-10-5-8(3-4-9(10)19)16-18(23-2)15(21)13-11(26-16)6-12-17(14(13)20)25-7-24-12/h3-6,19-20H,7H2,1-2H3",QDUQFPNXGXDSQJ,UHFFFAOYSA,N,"5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone",QDUQFPNXGXDSQJ-UHFFFAOYSA-N
HMDB29273,182.057908808,C9H10O4,COC1=CC=CC(OC)=C1C(O)=O,"InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)",MBIZFBDREVRUHY,UHFFFAOYSA,N,"2,6-Dimethoxybenzoic acid",MBIZFBDREVRUHY-UHFFFAOYSA-N
HMDB29274,470.012140406,C21H10O13,OC(=O)C1=CC(OC2=C3C(=O)OC4=C(O)C(O)=CC5=C4C3=C(OC5=O)C(O)=C2O)=C(O)C(O)=C1,"InChI=1S/C21H10O13/c22-6-1-4(19(28)29)2-8(12(6)24)32-18-11-10-9-5(20(30)33-17(10)14(26)15(18)27)3-7(23)13(25)16(9)34-21(11)31/h1-3,22-27H,(H,28,29)",DBLLWHYTKRSJEV,UHFFFAOYSA,N,Sanguisorbic acid dilactone,DBLLWHYTKRSJEV-UHFFFAOYSA-N
HMDB29275,604.012534336,C28H12O16,OC1=CC2=C(C3C(OC2=O)C(O)=C2OC(=O)C4=C5C(OC(=O)C3=C25)=C(O)C2=C4C3=C(C=C(O)C(O)=C3O)C(=O)O2)C(O)=C1O,"InChI=1S/C28H12O16/c29-5-1-3-7(17(33)15(5)31)9-13-11-12-14(28(40)44-23(11)19(35)21(9)41-25(3)37)10-8-4(2-6(30)16(32)18(8)34)26(38)42-22(10)20(36)24(12)43-27(13)39/h1-2,9,21,29-36H",FMQVGTFRDKFGPD,UHFFFAOYSA,N,Gallagic acid,FMQVGTFRDKFGPD-UHFFFAOYSA-N
HMDB29276,312.048131982,C13H12O9,O[C@H]([C@@H](OC(=O)\C=C/C1=CC=C(O)C(O)=C1)C(O)=O)C(O)=O,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2-/t10-,11-/m1/s1",SWGKAHCIOQPKFW,RQVXFDJMSA,N,Cis-Caffeoyl tartaric acid,SWGKAHCIOQPKFW-RQVXFDJMSA-N
HMDB29277,386.100167552,C20H18O8,COC1=C(O)C=CC(\C=C(\C(O)=O)/C(=C/C2=CC(OC)=C(O)C=C2)/C(O)=O)=C1,"InChI=1S/C20H18O8/c1-27-17-9-11(3-5-15(17)21)7-13(19(23)24)14(20(25)26)8-12-4-6-16(22)18(10-12)28-2/h3-10,21-22H,1-2H3,(H,23,24)(H,25,26)/b13-7-,14-8+",SPKZMOSDXTYXLK,MFUUIURDSA,N,8-8'-Dehydrodiferulic acid,SPKZMOSDXTYXLK-MFUUIURDSA-N
HMDB29278,354.095082174,C16H18O9,O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C/C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14-,16+/m1/s1",CWVRJTMFETXNAD,XYXZIBEBSA,N,Cis-5-Caffeoylquinic acid,CWVRJTMFETXNAD-XYXZIBEBSA-N
HMDB29279,516.126776232,C25H24O12,O[C@@H]1C[C@@](C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)(OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",YDDUMTOHNYZQPO,PSEXTPKNSA,N,"1,3-Dicaffeoylquinic acid",YDDUMTOHNYZQPO-PSEXTPKNSA-N
HMDB29280,516.126776232,C25H24O12,O[C@H]1[C@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C[C@@](O)(C[C@H]1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(=O)O,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",KRZBCHWVBQOTNZ,PSEXTPKNSA,N,Dicaffeoylquinic acid,KRZBCHWVBQOTNZ-PSEXTPKNSA-N
HMDB29281,472.15807636,C21H28O12,OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)\C=C\C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C21H28O12/c22-8-12-16(26)19(29)21(10-23,32-12)33-20-18(28)17(27)15(25)13(31-20)9-30-14(24)7-6-11-4-2-1-3-5-11/h1-7,12-13,15-20,22-23,25-29H,8-10H2/b7-6+/t12-,13+,15+,16-,17-,18+,19+,20+,21+/m0/s1",ASHAUBLELZYXKD,GASGSQLSSA,N,b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,ASHAUBLELZYXKD-GASGSQLSSA-N
HMDB29282,283.084457909,C16H13NO4,OC(=O)C1=C(NC(=O)\C=C\C2=CC=C(O)C=C2)C=CC=C1,"InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+",INBHLTYBRKASIZ,JXMROGBWSA,N,Avenanthramide 1p,INBHLTYBRKASIZ-JXMROGBWSA-N
HMDB29283,313.095022595,C17H15NO5,COC1=C(O)C=CC(\C=C\C(=O)NC2=CC=CC=C2C(O)=O)=C1,"InChI=1S/C17H15NO5/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22/h2-10,19H,1H3,(H,18,20)(H,21,22)/b9-7+",FSKJPXSYWQUVGO,VQHVLOKHSA,N,Avenanthramide 1f,FSKJPXSYWQUVGO-VQHVLOKHSA-N
HMDB29284,299.079372531,C16H13NO5,OC(=O)C1=CC=CC=C1NC(=O)\C=C\C1=CC(O)=C(O)C=C1,"InChI=1S/C16H13NO5/c18-13-7-5-10(9-14(13)19)6-8-15(20)17-12-4-2-1-3-11(12)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-6+",LLPIRWBXMYKFQM,SOFGYWHQSA,N,Avenanthramide 1c,LLPIRWBXMYKFQM-SOFGYWHQSA-N
HMDB29285,343.105587281,C18H17NO6,COC1=CC(\C=C\C(=O)NC2=CC=CC=C2C(O)=O)=CC(OC)=C1O,"InChI=1S/C18H17NO6/c1-24-14-9-11(10-15(25-2)17(14)21)7-8-16(20)19-13-6-4-3-5-12(13)18(22)23/h3-10,21H,1-2H3,(H,19,20)(H,22,23)/b8-7+",RGFLTMLKBQWTSH,BQYQJAHWSA,N,Avenanthramide 1s,RGFLTMLKBQWTSH-BQYQJAHWSA-N
HMDB29286,359.100501903,C18H17NO7,COC1=CC(\C=C\C(=O)NC2=CC=C(O)C=C2C(O)=O)=CC(OC)=C1O,"InChI=1S/C18H17NO7/c1-25-14-7-10(8-15(26-2)17(14)22)3-6-16(21)19-13-5-4-11(20)9-12(13)18(23)24/h3-9,20,22H,1-2H3,(H,19,21)(H,23,24)/b6-3+",IYRNSMDETLBKHB,ZZXKWVIFSA,N,Avenanthramide 2s,IYRNSMDETLBKHB-ZZXKWVIFSA-N
HMDB29287,336.084517488,C16H16O8,O[C@H]1[C@H]2C[C@@](O)(C[C@H]1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(=O)O2,"InChI=1S/C16H16O8/c17-9-3-1-8(5-10(9)18)2-4-13(19)23-11-6-16(22)7-12(14(11)20)24-15(16)21/h1-5,11-12,14,17-18,20,22H,6-7H2/b4-2+/t11-,12-,14-,16+/m1/s1",FXXATDNXMJKMSF,JUHZACGLSA,N,"3-Caffeoyl-1,5-quinolactone",FXXATDNXMJKMSF-JUHZACGLSA-N
HMDB29288,336.084517488,C16H16O8,O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)[C@@H]1OC(=O)\C=C\C1=CC(O)=C(O)C=C1,"InChI=1S/C16H16O8/c17-9-3-1-8(5-10(9)18)2-4-13(20)24-14-11(19)6-16(22)7-12(14)23-15(16)21/h1-5,11-12,14,17-19,22H,6-7H2/b4-2+/t11-,12-,14-,16+/m1/s1",BMSNCTFPYHTXGU,JUHZACGLSA,N,"4-Caffeoyl-1,5-quinolactone",BMSNCTFPYHTXGU-JUHZACGLSA-N
HMDB29289,350.100167552,C17H18O8,COC1=C(O)C=CC(\C=C\C(=O)O[C@@H]2C[C@]3(O)C[C@@H](OC3=O)[C@@H]2O)=C1,"InChI=1S/C17H18O8/c1-23-11-6-9(2-4-10(11)18)3-5-14(19)24-12-7-17(22)8-13(15(12)20)25-16(17)21/h2-6,12-13,15,18,20,22H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",KFVJGWDDYWUTHM,AWOKGZDASA,N,"3-Feruloyl-1,5-quinolactone",KFVJGWDDYWUTHM-AWOKGZDASA-N
HMDB29290,350.100167552,C17H18O8,COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2[C@H]3C[C@@](O)(C[C@H]2O)C(=O)O3)=C1,"InChI=1S/C17H18O8/c1-23-12-6-9(2-4-10(12)18)3-5-14(20)25-15-11(19)7-17(22)8-13(15)24-16(17)21/h2-6,11,13,15,18-19,22H,7-8H2,1H3/b5-3+/t11-,13-,15-,17+/m1/s1",OIGFDFULTVHQNZ,KJJWLSQTSA,N,"4-Feruloyl-1,5-quinolactone",OIGFDFULTVHQNZ-KJJWLSQTSA-N
HMDB29291,498.116211546,C25H22O11,OC1=C(O)C=C(\C=C\C(=O)O[C@@H]2C[C@]3(O)C[C@@H](OC3=O)[C@@H]2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1,"InChI=1S/C25H22O11/c26-15-5-1-13(9-17(15)28)3-7-21(30)34-19-11-25(33)12-20(35-24(25)32)23(19)36-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,33H,11-12H2/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",ZLYIWYCHNAZAQI,PSEXTPKNSA,N,"3,4-Dicaffeoyl-1,5-quinolactone",ZLYIWYCHNAZAQI-PSEXTPKNSA-N
HMDB29292,320.089602866,C16H16O7,O[C@H]1[C@H]2C[C@@](O)(C[C@H]1OC(=O)\C=C\C1=CC=C(O)C=C1)C(=O)O2,"InChI=1S/C16H16O7/c17-10-4-1-9(2-5-10)3-6-13(18)22-11-7-16(21)8-12(14(11)19)23-15(16)20/h1-6,11-12,14,17,19,21H,7-8H2/b6-3+/t11-,12-,14-,16+/m1/s1",UDRNBJSMWYQCNZ,OTCYKTEZSA,N,"3-p-Coumaroyl-1,5-quinolactone",UDRNBJSMWYQCNZ-OTCYKTEZSA-N
HMDB29293,320.089602866,C16H16O7,O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)[C@@H]1OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C16H16O7/c17-10-4-1-9(2-5-10)3-6-13(19)23-14-11(18)7-16(21)8-12(14)22-15(16)20/h1-6,11-12,14,17-18,21H,7-8H2/b6-3+/t11-,12-,14-,16+/m1/s1",PZLNXMHSYFPCAE,OTCYKTEZSA,N,"4-p-Coumaroyl-1,5-quinolactone",PZLNXMHSYFPCAE-OTCYKTEZSA-N
HMDB29294,295.069201775,C13H13NO7,OC(=O)CC(NC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C13H13NO7/c15-9-3-1-7(5-10(9)16)2-4-11(17)14-8(13(20)21)6-12(18)19/h1-5,8,15-16H,6H2,(H,14,17)(H,18,19)(H,20,21)/b4-2+",YNHFZQQNJPOYRC,DUXPYHPUSA,N,Caffeoyl aspartic acid,YNHFZQQNJPOYRC-DUXPYHPUSA-N
HMDB29295,343.105587281,C18H17NO6,OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)\C=C\C1=CC=C(O)C(O)=C1,"InChI=1S/C18H17NO6/c20-13-5-1-11(2-6-13)9-14(18(24)25)19-17(23)8-4-12-3-7-15(21)16(22)10-12/h1-8,10,14,20-22H,9H2,(H,19,23)(H,24,25)/b8-4+",JRXLVUMFJASLDR,XBXARRHUSA,N,Caffeoyl tyrosine,JRXLVUMFJASLDR-XBXARRHUSA-N
HMDB29296,343.105587281,C18H17NO6,OC(=O)C(CC1=CC(O)=C(O)C=C1)NC(=O)C=CC1=CC=C(O)C=C1,"InChI=1S/C18H17NO6/c20-13-5-1-11(2-6-13)4-8-17(23)19-14(18(24)25)9-12-3-7-15(21)16(22)10-12/h1-8,10,14,20-22H,9H2,(H,19,23)(H,24,25)",UUXSHXGLOWJTDV,UHFFFAOYSA,N,p-Coumaroyl 3-hydroxytyrosine,UUXSHXGLOWJTDV-UHFFFAOYSA-N
HMDB29297,361.116151967,C18H19NO7,COC1=C(O)C=CC(\C=C\C(=O)NC2=CC(OC)=C(O)C=C2C(O)O)=C1,"InChI=1S/C18H19NO7/c1-25-15-7-10(3-5-13(15)20)4-6-17(22)19-12-9-16(26-2)14(21)8-11(12)18(23)24/h3-9,18,20-21,23-24H,1-2H3,(H,19,22)/b6-4+",PESXZYVWZYEQPY,GQCTYLIASA,N,Avenanthramide A2,PESXZYVWZYEQPY-GQCTYLIASA-N
HMDB29298,578.142426296,C30H26O12,COC1=CC(\C=C\C(O)=O)=CC=C1O\C(=C/C1=CC(OC)=C(O)C(=C1)C1=CC(\C=C\C(O)=O)=CC(OC)=C1O)C(O)=O,"InChI=1S/C30H26O12/c1-39-22-12-16(5-8-26(31)32)4-7-21(22)42-25(30(37)38)15-18-11-20(29(36)24(14-18)41-3)19-10-17(6-9-27(33)34)13-23(40-2)28(19)35/h4-15,35-36H,1-3H3,(H,31,32)(H,33,34)(H,37,38)/b8-5+,9-6+,25-15-",PIXLMMCJKULCET,VVYRROKUSA,N,"4-O-8',5'-5''-Dehydrotriferulic acid",PIXLMMCJKULCET-VVYRROKUSA-N
HMDB29299,696.226549854,C32H40O17,[H][C@]12CO[C@H](C3=CC=C4OCOC4=C3)[C@@]1([H])CO[C@@H]2OC1=CC=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(OC)=C1,"InChI=1S/C32H40O17/c1-40-19-7-14(46-30-16-10-41-29(15(16)9-42-30)13-2-4-17-20(6-13)45-12-44-17)3-5-18(19)47-32-28(39)26(37)24(35)22(49-32)11-43-31-27(38)25(36)23(34)21(8-33)48-31/h2-7,15-16,21-39H,8-12H2,1H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1",XTMLHNGHWHHERJ,FUPWJLLWSA,N,Sesamolinol 4'-O-b-D-glucosyl (1->6)-O-b-D-glucoside,XTMLHNGHWHHERJ-FUPWJLLWSA-N
HMDB29300,123.068413915,C7H9NO,COC1=CC=C(N)C=C1,"InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3",BHAAPTBBJKJZER,UHFFFAOYSA,N,p-Anisidine,BHAAPTBBJKJZER-UHFFFAOYSA-N
HMDB29301,296.079706882,C16H12N2O4,OC1=CC2=C(C=C1O)C(=CN2)C1=CNC2=C1C=C(O)C(O)=C2,"InChI=1S/C16H12N2O4/c19-13-1-7-9(5-17-11(7)3-15(13)21)10-6-18-12-4-16(22)14(20)2-8(10)12/h1-6,17-22H",UHYVKNUCMCSKMR,UHFFFAOYSA,N,"5,5',6,6'-Tetrahydroxy-3,3'-biindolyl",UHYVKNUCMCSKMR-UHFFFAOYSA-N
HMDB29302,242.094294314,C15H14O3,OC1=CC2=C(COCC2)C(=C1O)C1=CC=CC=C1,"InChI=1S/C15H14O3/c16-13-8-11-6-7-18-9-12(11)14(15(13)17)10-4-2-1-3-5-10/h1-5,8,16-17H,6-7,9H2",VRLJYLQPMSKUMO,UHFFFAOYSA,N,"1-Phenyl-6,7-dihydroxy-isochroman",VRLJYLQPMSKUMO-UHFFFAOYSA-N
HMDB29303,288.099773622,C16H16O5,COC1=C(O)C=CC(=C1)C1=C(O)C(O)=CC2=C1COCC2,"InChI=1S/C16H16O5/c1-20-14-7-10(2-3-12(14)17)15-11-8-21-5-4-9(11)6-13(18)16(15)19/h2-3,6-7,17-19H,4-5,8H2,1H3",NTXDKLARYKJXCA,UHFFFAOYSA,N,"1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman",NTXDKLARYKJXCA-UHFFFAOYSA-N
HMDB29304,378.13146768,C19H22O8,COC(=O)C1=CO[C@@H](O)\C(=C/C)[C@@H]1CC(=O)OCCC1=CC=C(O)C(O)=C1,"InChI=1S/C19H22O8/c1-3-12-13(14(18(23)25-2)10-27-19(12)24)9-17(22)26-7-6-11-4-5-15(20)16(21)8-11/h3-5,8,10,13,19-21,24H,6-7,9H2,1-2H3/b12-3-/t13-,19+/m0/s1",BIWKXNFEOZXNLX,SQOYHTLWSA,N,"3,4-DHPEA-EA",BIWKXNFEOZXNLX-SQOYHTLWSA-N
HMDB29305,304.13107375,C17H20O5,C\C=C(\C=O)C(CC=O)CC(=O)OCCC1=CC=C(O)C=C1,"InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-",VPOVFCBNUOUZGG,VVHNFQOZSA,N,p-HPEA-EDA,VPOVFCBNUOUZGG-VVHNFQOZSA-N
HMDB29306,122.073164942,C8H10O,CCC1=CC=C(O)C=C1,"InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3",HXDOZKJGKXYMEW,UHFFFAOYSA,N,4-Ethylphenol,HXDOZKJGKXYMEW-UHFFFAOYSA-N
HMDB29307,314.07903818,C17H14O6,COC1=CC(O)=CC2=C1C(=O)C(=CO2)C1=C(OC)C=C(O)C=C1,"InChI=1S/C17H14O6/c1-21-13-5-9(18)3-4-11(13)12-8-23-15-7-10(19)6-14(22-2)16(15)17(12)20/h3-8,18-19H,1-2H3",YUJPVHPOLZJUES,UHFFFAOYSA,N,"4',7-Dihydroxy-2',5-dimethoxyisoflavone",YUJPVHPOLZJUES-UHFFFAOYSA-N
HMDB29308,402.13146768,C21H22O8,COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(OC)C=C2O1,"InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-14(29-18)10-15(25-3)19(26-4)20(16)27-5/h7-10H,1-6H3",CHXSDKWBSFDZEU,UHFFFAOYSA,N,Hexamethylquercetagetin,CHXSDKWBSFDZEU-UHFFFAOYSA-N
HMDB29309,1030.534859686,C51H82O21,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C51H82O21/c1-20-9-14-51(63-19-20)21(2)32-29(72-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)66-48-44(71-45-38(59)35(56)33(54)22(3)64-45)41(62)43(31(18-53)68-48)70-46-40(61)37(58)42(23(4)65-46)69-47-39(60)36(57)34(55)30(17-52)67-47/h7,20-23,25-48,52-62H,8-19H2,1-6H3",UQSVUVUFOGJARD,UHFFFAOYSA,N,Diosgenin 3-[glucosyl-(1->4)-rhamnosyl-(1->4)-[rhamnosyl-(1->2)]-glucoside],UQSVUVUFOGJARD-UHFFFAOYSA-N
HMDB29310,576.36621864,C33H52O8,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3",WXMARHKAXWRNDM,UHFFFAOYSA,N,Collettiside I,WXMARHKAXWRNDM-UHFFFAOYSA-N
HMDB29311,884.476950878,C45H72O17,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3",OLAMGHNQGZIWHZ,UHFFFAOYSA,N,Deltonin,OLAMGHNQGZIWHZ-UHFFFAOYSA-N
HMDB29312,722.424127448,C39H62O12,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3",HDXIQHTUNGFJIC,UHFFFAOYSA,N,Ophiopogonin C',HDXIQHTUNGFJIC-UHFFFAOYSA-N
HMDB29313,566.272712186,C29H42O11,CC1OC(OC2CCC3(C=O)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O,"InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3",AZOXLPPOBHVORY,UHFFFAOYSA,N,Canescein,AZOXLPPOBHVORY-UHFFFAOYSA-N
HMDB29314,128.083729628,C7H12O2,CC(C)=CCOC(C)=O,"InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3",XXIKYCPRDXIMQM,UHFFFAOYSA,N,Isopentenyl acetate,XXIKYCPRDXIMQM-UHFFFAOYSA-N
HMDB29315,596.39243339,C33H56O9,CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3",FBJYDOQUXQMQSS,UHFFFAOYSA,N,Asparagoside B,FBJYDOQUXQMQSS-UHFFFAOYSA-N
HMDB29316,398.354866094,C28H46O,CC(C)C(\C)=C\CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,10,18,20-22,24-26,29H,8-9,11-17H2,1-6H3/b19-7+",KAQGTARNAVQLMK,FBCYGCLPSA,N,"(3beta,5alpha)-Ergosta-7,23-dien-3-ol",KAQGTARNAVQLMK-FBCYGCLPSA-N
HMDB29317,380.198759384,C24H28O4,CCCC1C(CCC)C2(OC(=O)C3=C2CCC=C3)C11OC(=O)C2=C1CCC=C2,"InChI=1S/C24H28O4/c1-3-9-19-20(10-4-2)24(18-14-8-6-12-16(18)22(26)28-24)23(19)17-13-7-5-11-15(17)21(25)27-23/h5-6,11-12,19-20H,3-4,7-10,13-14H2,1-2H3",LSDFCPDLBLFHAT,UHFFFAOYSA,N,Angelicolide,LSDFCPDLBLFHAT-UHFFFAOYSA-N
HMDB29318,296.05321736,C13H12O8,OC(=O)CC(OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+",PMKQSEYPLQIEAY,DUXPYHPUSA,N,Caffeoylmalic acid,PMKQSEYPLQIEAY-DUXPYHPUSA-N
HMDB29319,354.146723814,C21H22O5,COC1=C2C3OC4=C(C=CC(O)=C4CC=C(C)C)C3COC2=CC(O)=C1,"InChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3",YKTZRMXYANFKQR,UHFFFAOYSA,N,1-Methoxyphaseollidin,YKTZRMXYANFKQR-UHFFFAOYSA-N
HMDB29320,402.349780716,C27H46O2,CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)CC1C(O)C3,"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-19,21-22,24-25,28-29H,6-16H2,1-5H3",MPCLLXXLNXORCU,UHFFFAOYSA,N,"(3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol",MPCLLXXLNXORCU-UHFFFAOYSA-N
HMDB29321,1034.529774308,C50H82O22,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)CO1,"InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-47-40(62)43(71-45-38(60)35(57)34(56)29(15-51)66-45)42(31(17-53)68-47)70-46-39(61)36(58)41(30(16-52)67-46)69-44-37(59)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3",JGMVGSROWHLFSW,UHFFFAOYSA,N,Asparagoside F,JGMVGSROWHLFSW-UHFFFAOYSA-N
HMDB29322,255.089543287,C15H13NO3,COC1=CC2=C(C(O)=C1)C(=O)C1=CC=CC=C1N2C,"InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3",OCUBFJMZYYIVBO,UHFFFAOYSA,N,1-Hydroxy-3-methoxy-10-methylacridone,OCUBFJMZYYIVBO-UHFFFAOYSA-N
HMDB29323,301.095022595,C16H15NO5,COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C(OC)=C(O)C=C1,"InChI=1S/C16H15NO5/c1-17-10-6-8(21-2)7-12(19)13(10)15(20)9-4-5-11(18)16(22-3)14(9)17/h4-7,18-19H,1-3H3",OQMSMWRXIZYYNR,UHFFFAOYSA,N,Citpressine I,OQMSMWRXIZYYNR-UHFFFAOYSA-N
HMDB29324,315.110672659,C17H17NO5,COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C(OC)=C(OC)C=C1,"InChI=1S/C17H17NO5/c1-18-11-7-9(21-2)8-12(19)14(11)16(20)10-5-6-13(22-3)17(23-4)15(10)18/h5-8,19H,1-4H3",CHCYJKZBXNSGCG,UHFFFAOYSA,N,Citpressine II,CHCYJKZBXNSGCG-UHFFFAOYSA-N
HMDB29325,337.188922979,C18H27NO5,C\C=C(/C)C(=O)OC1C(O)C2CC(CC1N2C)OC(=O)C(\C)=C\C,"InChI=1S/C18H27NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6-7,12-16,20H,8-9H2,1-5H3/b10-6+,11-7+",FRQMNJFBOJQRAQ,JMQWPVDRSA,N,"3,6-Ditigloyloxytropan-7-ol",FRQMNJFBOJQRAQ-JMQWPVDRSA-N
HMDB29326,341.126322723,C19H19NO5,CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(C)(O)CO)C=C2O,"InChI=1S/C19H19NO5/c1-19(24,9-21)15-7-11-14(25-15)8-13(22)16-17(11)20(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,21-22,24H,7,9H2,1-2H3",RQAGSTDFTGSIGB,UHFFFAOYSA,N,Gravacridonediol,RQAGSTDFTGSIGB-UHFFFAOYSA-N
HMDB29327,355.141972787,C20H21NO5,COCC(C)(O)C1CC2=C(O1)C=C(O)C1=C2N(C)C2=C(C=CC=C2)C1=O,"InChI=1S/C20H21NO5/c1-20(24,10-25-3)16-8-12-15(26-16)9-14(22)17-18(12)21(2)13-7-5-4-6-11(13)19(17)23/h4-7,9,16,22,24H,8,10H2,1-3H3",YYTVGIBSAJVHGD,UHFFFAOYSA,N,Gravacridonediol methyl ether,YYTVGIBSAJVHGD-UHFFFAOYSA-N
HMDB29328,503.179146153,C25H29NO10,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(C)(O)COC1OC(CO)C(O)C(O)C1O)C=C2O,"InChI=1S/C25H29NO10/c1-25(33,10-34-24-23(32)22(31)21(30)16(9-27)36-24)17-7-12-15(35-17)8-14(28)18-19(12)26(2)13-6-4-3-5-11(13)20(18)29/h3-6,8,16-17,21-24,27-28,30-33H,7,9-10H2,1-2H3",JWQLKRFRUYIERF,UHFFFAOYSA,N,Gravacridonediol glucoside,JWQLKRFRUYIERF-UHFFFAOYSA-N
HMDB29329,375.087350398,C19H18ClNO5,CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(Cl)(CO)CO)C=C2O,"InChI=1S/C19H18ClNO5/c1-21-12-5-3-2-4-10(12)18(25)16-13(24)7-14-11(17(16)21)6-15(26-14)19(20,8-22)9-23/h2-5,7,15,22-24H,6,8-9H2,1H3",OYGSTYGNRLPAMK,UHFFFAOYSA,N,Gravacridonolchlorine,OYGSTYGNRLPAMK-UHFFFAOYSA-N
HMDB29330,357.121237345,C19H19NO6,CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(O)(CO)CO)C=C2O,"InChI=1S/C19H19NO6/c1-20-12-5-3-2-4-10(12)18(24)16-13(23)7-14-11(17(16)20)6-15(26-14)19(25,8-21)9-22/h2-5,7,15,21-23,25H,6,8-9H2,1H3",GJDBWKOONRHBIM,UHFFFAOYSA,N,Gravacridonetriol,GJDBWKOONRHBIM-UHFFFAOYSA-N
HMDB29331,519.174060775,C25H29NO11,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(O)(CO)COC1OC(CO)C(O)C(O)C1O)C=C2O,"InChI=1S/C25H29NO11/c1-26-13-5-3-2-4-11(13)20(30)18-14(29)7-15-12(19(18)26)6-17(36-15)25(34,9-28)10-35-24-23(33)22(32)21(31)16(8-27)37-24/h2-5,7,16-17,21-24,27-29,31-34H,6,8-10H2,1H3",BFVREXFWNFMMSF,UHFFFAOYSA,N,Gravacridonetriol glucoside,BFVREXFWNFMMSF-UHFFFAOYSA-N
HMDB29332,337.131408101,C20H19NO4,COC1=CC=CC2=C1N(C)C1=C(C(O)=CC3=C1C=CC(C)(C)O3)C2=O,"InChI=1S/C20H19NO4/c1-20(2)9-8-11-15(25-20)10-13(22)16-18(11)21(3)17-12(19(16)23)6-5-7-14(17)24-4/h5-10,22H,1-4H3",UNXDMEUOZWETRG,UHFFFAOYSA,N,5-Methoxynoracronycine,UNXDMEUOZWETRG-UHFFFAOYSA-N
HMDB29333,605.321334133,C33H43N5O6,COC1=CC=C2OC3CCN(C3\C(O)=N/C(CC3=CC=CC=C3)\C(O)=N/C=C/C1=C2)C(=O)C(\N=C(/O)C(C)N(C)C)C(C)C,"InChI=1S/C33H43N5O6/c1-20(2)28(36-30(39)21(3)37(4)5)33(42)38-17-15-27-29(38)32(41)35-25(18-22-10-8-7-9-11-22)31(40)34-16-14-23-19-24(44-27)12-13-26(23)43-6/h7-14,16,19-21,25,27-29H,15,17-18H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)/b16-14+",KLYKBXVHBJWDJF,JQIJEIRASA,N,Amphibine H,KLYKBXVHBJWDJF-JQIJEIRASA-N
HMDB29334,591.305684069,C32H41N5O6,CNC(C)C(\O)=N\C(C(C)C)C(=O)N1CCC2OC3=CC=C(OC)C(=C3)\C=C\N=C(O)/C(CC3=CC=CC=C3)\N=C(O)/C12,"InChI=1S/C32H41N5O6/c1-19(2)27(36-29(38)20(3)33-4)32(41)37-16-14-26-28(37)31(40)35-24(17-21-9-7-6-8-10-21)30(39)34-15-13-22-18-23(43-26)11-12-25(22)42-5/h6-13,15,18-20,24,26-28,33H,14,16-17H2,1-5H3,(H,34,39)(H,35,40)(H,36,38)/b15-13+",ZAVCUVYFGQXSRX,FYWRMAATSA,N,Nummularine B,ZAVCUVYFGQXSRX-FYWRMAATSA-N
HMDB29335,661.383934389,C37H51N5O6,CCC(C)C1\N=C(O)\C2C(CCN2C(=O)C(CC(C)C)\N=C(/O)C(CC2=CC=CC=C2)N(C)C)OC2=CC=C(OC)C(=C2)\C=C\N=C1\O,"InChI=1S/C37H51N5O6/c1-8-24(4)32-35(44)38-18-16-26-22-27(14-15-30(26)47-7)48-31-17-19-42(33(31)36(45)40-32)37(46)28(20-23(2)3)39-34(43)29(41(5)6)21-25-12-10-9-11-13-25/h9-16,18,22-24,28-29,31-33H,8,17,19-21H2,1-7H3,(H,38,44)(H,39,43)(H,40,45)/b18-16+",YTPWZBXRZAQHQB,FBMGVBCBSA,N,Mucronine D,YTPWZBXRZAQHQB-FBMGVBCBSA-N
HMDB29336,647.368284325,C36H49N5O6,CCC(C)C1\N=C(O)\C2C(CCN2C(=O)C(CC(C)C)\N=C(/O)C(CC2=CC=CC=C2)NC)OC2=CC=C(OC)C(=C2)\C=C\N=C1\O,"InChI=1S/C36H49N5O6/c1-7-23(4)31-34(43)38-17-15-25-21-26(13-14-29(25)46-6)47-30-16-18-41(32(30)35(44)40-31)36(45)28(19-22(2)3)39-33(42)27(37-5)20-24-11-9-8-10-12-24/h8-15,17,21-23,27-28,30-32,37H,7,16,18-20H2,1-6H3,(H,38,43)(H,39,42)(H,40,44)/b17-15+",BZZQDUJJXJCFBF,BMRADRMJSA,N,Nummularine A,BZZQDUJJXJCFBF-BMRADRMJSA-N
HMDB29337,351.110672659,C20H17NO5,COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=CC3=C1C(=NC=C3)C2=O,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",ZYKCETVKVRJFGD,UHFFFAOYSA,N,Oxoglaucine,ZYKCETVKVRJFGD-UHFFFAOYSA-N
HMDB29338,575.310769447,C32H41N5O5,CC(C)C(\N=C(/O)C(C)N(C)C)C(=O)N1CCC2OC3=CC=C(C=C3)\C=C/N=C(O)\C(CC3=CC=CC=C3)\N=C(O)/C12,"InChI=1S/C32H41N5O5/c1-20(2)27(35-29(38)21(3)36(4)5)32(41)37-18-16-26-28(37)31(40)34-25(19-23-9-7-6-8-10-23)30(39)33-17-15-22-11-13-24(42-26)14-12-22/h6-15,17,20-21,25-28H,16,18-19H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/b17-15-",OGCOHPMZUTVUAD,ICFOKQHNSA,N,Mauritine A,OGCOHPMZUTVUAD-ICFOKQHNSA-N
HMDB29339,504.27365566,C29H36N4O4,CC(C)C1OC2=CC=C(C=C2)\C=C/NC(=O)C(CC2=CC=CC=C2)NC(=O)C1NC(=O)C1CCCN1C,"InChI=1S/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/b16-15-",IDZLSIWTJUALRQ,NXVVXOECSA,N,Ceanothine B,IDZLSIWTJUALRQ-NXVVXOECSA-N
HMDB29340,470.289305724,C26H38N4O4,CC(C)CC1NC(=O)C(NC(=O)C2CCCN2C)C(OC2=CC=C(C=C2)\C=C/NC1=O)C(C)C,"InChI=1S/C26H38N4O4/c1-16(2)15-20-24(31)27-13-12-18-8-10-19(11-9-18)34-23(17(3)4)22(26(33)28-20)29-25(32)21-7-6-14-30(21)5/h8-13,16-17,20-23H,6-7,14-15H2,1-5H3,(H,27,31)(H,28,33)(H,29,32)/b13-12-",VAPUILOXKWGXSJ,SEYXRHQNSA,N,Ceanothine C,VAPUILOXKWGXSJ-SEYXRHQNSA-N
HMDB29341,484.304955788,C27H40N4O4,CCC(C)C1OC2=CC=C(C=C2)\C=C/NC(=O)C(CC(C)C)NC(=O)C1NC(=O)C1CCCN1C,"InChI=1S/C27H40N4O4/c1-6-18(4)24-23(30-26(33)22-8-7-15-31(22)5)27(34)29-21(16-17(2)3)25(32)28-14-13-19-9-11-20(35-24)12-10-19/h9-14,17-18,21-24H,6-8,15-16H2,1-5H3,(H,28,32)(H,29,34)(H,30,33)/b14-13-",HURFCPCPTXOVJN,YPKPFQOOSA,N,Ceanothine D,HURFCPCPTXOVJN-YPKPFQOOSA-N
HMDB29342,568.304955788,C34H40N4O4,CC(C)CC1\N=C(O)/C(\N=C(/O)C(CC2=CC=CC=C2)N(C)C)C(OC2=CC=C(C=C2)\C=C/N=C1/O)C1=CC=CC=C1,"InChI=1S/C34H40N4O4/c1-23(2)21-28-32(39)35-20-19-24-15-17-27(18-16-24)42-31(26-13-9-6-10-14-26)30(34(41)36-28)37-33(40)29(38(3)4)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-",KCFAADIKGBVBFW,VXPUYCOJSA,N,Ceanothine E,KCFAADIKGBVBFW-VXPUYCOJSA-N
HMDB29343,901.503499979,C45H75NO17,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1,"InChI=1S/C45H75NO17/c1-19-7-12-45(46-15-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(56)35(54)38(29(18-49)60-40)61-42-39(34(53)32(51)28(17-48)59-42)62-41-36(55)33(52)31(50)27(16-47)58-41/h19-42,46-56H,5-18H2,1-4H3",DMUPZSDWJVULSC,UHFFFAOYSA,N,beta1-Tomatidine,DMUPZSDWJVULSC-UHFFFAOYSA-N
HMDB29344,327.095416525,C14H17NO8,OCC1OC(OC2OC3=CC=CC=C3NC2=O)C(O)C(O)C1O,"InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20)",PYQSUTLVBSTCSK,UHFFFAOYSA,N,Blepharin,PYQSUTLVBSTCSK-UHFFFAOYSA-N
HMDB29345,470.33960996,C30H46O4,CC1(C)OC1C1CC(C(O)O1)C1CCC2(C)C3=CCC4C(C)(C)C(O)C=CC4(C)C3CCC12C,"InChI=1S/C30H46O4/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(33-25(17)32)24-27(3,4)34-24/h8,12-13,17-19,21-25,31-32H,9-11,14-16H2,1-7H3",IXMBCIFWOAKVNY,UHFFFAOYSA,N,Murrayenol,IXMBCIFWOAKVNY-UHFFFAOYSA-N
HMDB29346,316.188588628,C16H28O6,CC(C)=CCC\C(C)=C/COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,7,12-20H,4,6,8-9H2,1-3H3/b11-7-",RMMXLHZEVYNSJO,XFFZJAGNSA,N,Neryl glucoside,RMMXLHZEVYNSJO-XFFZJAGNSA-N
HMDB29347,448.230847372,C21H36O10,CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C21H36O10/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3/b13-7-",RFFYIBOJHUSIGD,QPEQYQDCSA,N,Acuminoside,RFFYIBOJHUSIGD-QPEQYQDCSA-N
HMDB29348,448.230847372,C21H36O10,CC(C)=CCC\C(C)=C/COC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-20-19(27)17(25)16(24)14(31-20)10-29-21-18(26)15(23)13(9-22)30-21/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7-",AWDKYYYAAQQLEF,GHXNOFRVSA,N,Neryl arabinofuranosyl-glucoside,AWDKYYYAAQQLEF-GHXNOFRVSA-N
HMDB29349,462.246497436,C22H38O10,CC1OC(OCC2OC(OC\C=C(\C)CCC=C(C)C)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C22H38O10/c1-11(2)6-5-7-12(3)8-9-29-21-20(28)18(26)16(24)14(32-21)10-30-22-19(27)17(25)15(23)13(4)31-22/h6,8,13-28H,5,7,9-10H2,1-4H3/b12-8-",YZJBMONDZNACEV,WQLSENKSSA,N,Neryl rhamnosyl-glucoside,YZJBMONDZNACEV-WQLSENKSSA-N
HMDB29350,238.193280076,C15H26O2,CC(C)CC(=O)OC\C=C(\C)CCC=C(C)C,"InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9-",SOUKTGNMIRUIQN,ZROIWOOFSA,N,Geranyl 3-methylbutanoate,SOUKTGNMIRUIQN-ZROIWOOFSA-N
HMDB29351,252.20893014,C16H28O2,CCCCCC(=O)OC\C=C(\C)CCC=C(C)C,"InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12-",ARVSCQUZFFSNKF,QINSGFPZSA,N,Geranyl hexanoate,ARVSCQUZFFSNKF-QINSGFPZSA-N
HMDB29352,1101.397256585,C43H67N5O28,C\C(COC1OC(CO)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C1O)=C/CNC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC=N1,"InChI=1S/C43H67N5O28/c1-13(2-3-44-36-20-37(46-11-45-36)48(12-47-20)38-27(61)24(58)15(4-49)68-38)9-66-40-31(65)34(33(19(8-53)71-40)74-39-28(62)21(55)14(54)10-67-39)75-42-30(64)32(18(7-52)72-42)73-43-35(26(60)23(57)17(6-51)70-43)76-41-29(63)25(59)22(56)16(5-50)69-41/h2,11-12,14-19,21-35,38-43,49-65H,3-10H2,1H3,(H,44,45,46)/b13-2+",WLKVBNIHWHTLAI,XNJYKOPJSA,N,Gazer,WLKVBNIHWHTLAI-XNJYKOPJSA-N
HMDB29353,293.111066589,C11H19NO8,OCC1OC(OC(=O)C2CC(O)CN2)C(O)C(O)C1O,"InChI=1S/C11H19NO8/c13-3-6-7(15)8(16)9(17)11(19-6)20-10(18)5-1-4(14)2-12-5/h4-9,11-17H,1-3H2",GUEWQMQDXXTGGY,UHFFFAOYSA,N,Galactosyl 4-hydroxyproline,GUEWQMQDXXTGGY-UHFFFAOYSA-N
HMDB29354,293.111066589,C11H19NO8,OCC1OC(OC2CNC(C2)C(O)=O)C(O)C(O)C1O,"InChI=1S/C11H19NO8/c13-3-6-7(14)8(15)9(16)11(20-6)19-4-1-5(10(17)18)12-2-4/h4-9,11-16H,1-3H2,(H,17,18)",OJEYXWIZDRJBDC,UHFFFAOYSA,N,4-Hydroxyproline galactoside,OJEYXWIZDRJBDC-UHFFFAOYSA-N
HMDB29355,251.079372531,C12H13NO5,OC(=O)CC(NC(=O)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C12H13NO5/c14-10(6-8-4-2-1-3-5-8)13-9(12(17)18)7-11(15)16/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)",SVFKZPQPMMZHLZ,UHFFFAOYSA,N,N-Phenylacetylaspartic acid,SVFKZPQPMMZHLZ-UHFFFAOYSA-N
HMDB29356,398.147786446,C21H22N2O6,COC1=C(O)C=CC(\C=C\C(\O)=N\C\C(O)=N\C(CC2=CC=CC=C2)C(O)=O)=C1,"InChI=1S/C21H22N2O6/c1-29-18-12-15(7-9-17(18)24)8-10-19(25)22-13-20(26)23-16(21(27)28)11-14-5-3-2-4-6-14/h2-10,12,16,24H,11,13H2,1H3,(H,22,25)(H,23,26)(H,27,28)/b10-8+",RMZPPYWIJILVLC,CSKARUKUSA,N,N-Feruloylglycyl-L-phenylalanine,RMZPPYWIJILVLC-CSKARUKUSA-N
HMDB29357,954.44604468,C47H70O20,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H70O20/c1-41(2)14-16-46(39(59)66-36-30(53)29(52)28(51)23(19-48)62-36)17-15-44(6)21(22(46)18-41)8-9-25-43(5)12-11-26(42(3,4)24(43)10-13-45(25,44)7)63-37-31(54)32-33(34(64-37)35(55)56)67-47(60,38(57)58)40(65-32)61-20-27(49)50/h8,22-26,28-34,36-37,40,48,51-54,60H,9-20H2,1-7H3,(H,49,50)(H,55,56)(H,57,58)",UOGGJUUNBPSGHY,UHFFFAOYSA,N,Betavulgaroside I,UOGGJUUNBPSGHY-UHFFFAOYSA-N
HMDB29358,170.13067982,C10H18O2,CC\C=C/CCCCOC(C)=O,"InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h4-5H,3,6-9H2,1-2H3/b5-4-",NBYQSRDPBAVRDT,PLNGDYQASA,N,5Z-Octenyl acetate,NBYQSRDPBAVRDT-PLNGDYQASA-N
HMDB29359,146.13067982,C8H18O2,CCCCCC(O)CCO,"InChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3",DCTMXCOHGKSXIZ,UHFFFAOYSA,N,"(R)-1,3-Octanediol",DCTMXCOHGKSXIZ-UHFFFAOYSA-N
HMDB29360,369.121237345,C20H19NO6,CN1CCC2=C(C=C3OCOC3=C2)C2OC(O)C3=C(C=CC4=C3OCO4)C12,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)18-17(21)11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18,20,22H,4-5,8-9H2,1H3",XUYAYNRYVXHNOQ,UHFFFAOYSA,N,Isorheagenine,XUYAYNRYVXHNOQ-UHFFFAOYSA-N
HMDB29361,531.174060775,C26H29NO11,CN1CCC2=CC3=C(OCO3)C=C2C2OC(OC3OC(CO)C(O)C(O)C3O)C3=C(C=CC4=C3OCO4)C12,"InChI=1S/C26H29NO11/c1-27-5-4-11-6-15-16(34-9-33-15)7-13(11)23-19(27)12-2-3-14-24(35-10-32-14)18(12)25(37-23)38-26-22(31)21(30)20(29)17(8-28)36-26/h2-3,6-7,17,19-23,25-26,28-31H,4-5,8-10H2,1H3",LOJGKLLTOGPATF,UHFFFAOYSA,N,Alkaloid RC,LOJGKLLTOGPATF-UHFFFAOYSA-N
HMDB29362,308.18350325,C14H28O7,CCCCCC(O)CCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C14H28O7/c1-2-3-4-5-9(16)6-7-20-14-13(19)12(18)11(17)10(8-15)21-14/h9-19H,2-8H2,1H3",PDTNYXYWXDHHEM,UHFFFAOYSA,N,"(R)-1-O-b-D-glucopyranosyl-1,3-octanediol",PDTNYXYWXDHHEM-UHFFFAOYSA-N
HMDB29363,385.152537473,C21H23NO6,COC1=C(OC)C=C2C3OC(O)C4=C(C=CC5=C4OCO5)C3N(C)CCC2=C1,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",XYWRZQQANNOTTD,UHFFFAOYSA,N,Glaucamine,XYWRZQQANNOTTD-UHFFFAOYSA-N
HMDB29364,294.089208936,C18H14O4,CC(=O)OC1=CC=C2C(=O)C(=C(C)OC2=C1)C1=CC=CC=C1,"InChI=1S/C18H14O4/c1-11-17(13-6-4-3-5-7-13)18(20)15-9-8-14(22-12(2)19)10-16(15)21-11/h3-10H,1-2H3",DPIAJERHFDBLPT,UHFFFAOYSA,N,7-Acetoxy-2-methylisoflavone,DPIAJERHFDBLPT-UHFFFAOYSA-N
HMDB29365,313.131408101,C18H19NO4,COC1=CC(\C=C\C(=O)NCCC2=CC=C(O)C=C2)=CC=C1O,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",NPNNKDMSXVRADT,WEVVVXLNSA,N,Moupinamide,NPNNKDMSXVRADT-WEVVVXLNSA-N
HMDB29366,241.110278729,C15H15NO2,O\C(=N/CCC1=CC=C(O)C=C1)C1=CC=CC=C1,"InChI=1S/C15H15NO2/c17-14-8-6-12(7-9-14)10-11-16-15(18)13-4-2-1-3-5-13/h1-9,17H,10-11H2,(H,16,18)",MUCNBPCTSRYLCB,UHFFFAOYSA,N,N-[2-(4-Hydroxyphenyl)ethyl]benzamide,MUCNBPCTSRYLCB-UHFFFAOYSA-N
HMDB29367,332.092282941,C20H14NO4,C[N+]1=C2C3=CC4=C(OCO4)C=C3C=CC2=C2C=CC3=C(OCO3)C2=C1,"InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1",INVGWHRKADIJHF,UHFFFAOYSA,N,Sanguinarine,INVGWHRKADIJHF-UHFFFAOYSA-N
HMDB29368,299.134202067,C10H17N7O4,NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22N=C(N)N[C@@H]12,"InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1",RPQXVSUAYFXFJA,HGRQIUPRSA,N,Saxitoxin,RPQXVSUAYFXFJA-HGRQIUPRSA-N
HMDB29369,315.129116689,C10H17N7O5,NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]22N(CCC2(O)O)C(=N)N1O,"InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1",PPEKGEBBBBNZKS,HGRQIUPRSA,N,Neosaxitoxin,PPEKGEBBBBNZKS-HGRQIUPRSA-N
HMDB29370,207.125928793,C12H17NO2,COC1=CC2=C(CN(C)CC2)C=C1OC,"InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3",TXPPKWZEHFNZOE,UHFFFAOYSA,N,O-Methylcorypalline,TXPPKWZEHFNZOE-UHFFFAOYSA-N
HMDB29371,721.440111863,C39H63NO11,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3",KRQDMAXNTWLTDZ,UHFFFAOYSA,N,gamma2-Solamarine,KRQDMAXNTWLTDZ-UHFFFAOYSA-N
HMDB29372,270.05282343,C15H10O5,OC1=CC(O)=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H",ZCTNPCRBEWXCGP,UHFFFAOYSA,N,2'-Hydroxydaidzein,ZCTNPCRBEWXCGP-UHFFFAOYSA-N
HMDB29373,823.471805921,C43H69NO14,CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OCC(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O,"InChI=1S/C43H69NO14/c1-19-5-8-26-20(2)31-27(44(26)15-19)14-25-23-7-6-21-13-22(9-11-42(21,3)24(23)10-12-43(25,31)4)55-39-36(50)33(47)29(17-53-39)57-40-37(51)34(48)30(18-54-40)58-41-38(52)35(49)32(46)28(16-45)56-41/h6,19-20,22-41,45-52H,5,7-18H2,1-4H3",WNUZFFNCQHQMDD,UHFFFAOYSA,N,Solacauline,WNUZFFNCQHQMDD-UHFFFAOYSA-N
HMDB29374,271.120843415,C16H17NO3,O=C(\C=C\C=C\C1=CC=C2OCOC2=C1)N1CCCC1,"InChI=1S/C16H17NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h1-2,5-8,11H,3-4,9-10,12H2/b5-1+,6-2+",GQIJYUMTOUBHSH,IJIVKGSJSA,N,"(E,E)-Trichostachine",GQIJYUMTOUBHSH-IJIVKGSJSA-N
HMDB29376,385.152537473,C21H23NO6,COC1OC2C(N(C)CCC3=CC(OC)=C(O)C=C23)C2=C1C1=C(OCO1)C=C2,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-16(24-2)14(23)9-13(11)19-18(22)12-4-5-15-20(27-10-26-15)17(12)21(25-3)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",NRJVOXUCVMTVSZ,UHFFFAOYSA,N,N-Methylporphyroxine,NRJVOXUCVMTVSZ-UHFFFAOYSA-N
HMDB29377,285.136493479,C17H19NO3,O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1,"InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+",MXXWOMGUGJBKIW,YPCIICBESA,N,Piperine,MXXWOMGUGJBKIW-YPCIICBESA-N
HMDB29378,311.152143543,C19H21NO3,COC1=CC=C2C3CC4=C5C(OC1C25CCN3C)=C(OC)C=C4,"InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3",FQXXSQDCDRQNQE,UHFFFAOYSA,N,(-)-Thebaine,FQXXSQDCDRQNQE-UHFFFAOYSA-N
HMDB29379,310.165447883,C16H24NO5,COC1=CC(\C=C/C(=O)OCC[N+](C)(C)C)=CC(OC)=C1O,"InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1",HUJXHFRXWWGYQH,UHFFFAOYSA,O,Sinapine,HUJXHFRXWWGYQH-UHFFFAOYSA-O
HMDB29381,313.167793607,C19H23NO3,COC1C=CC2C3CC4=C5C(OC1C25CCN3C)=C(OC)C=C4,"InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3",HGPQAWTZLJXCTC,UHFFFAOYSA,N,6-O-Methylcodeine,HGPQAWTZLJXCTC-UHFFFAOYSA-N
HMDB29382,301.131408101,C17H19NO4,CN1(=O)CCC23C4OC5=C(O)C=CC(CC1C2C=CC4O)=C35,"InChI=1S/C17H19NO4/c1-18(21)7-6-17-10-3-5-13(20)16(17)22-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3",AMAPEXTUMXQULJ,UHFFFAOYSA,N,Genomorphine,AMAPEXTUMXQULJ-UHFFFAOYSA-N
HMDB29383,352.07943211,C16H16O9,OC1CC(O)(CC(OC(=O)\C=C/C2=CC(=O)C(=O)C=C2)C1O)C(O)=O,"InChI=1S/C16H16O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,19,21,24H,6-7H2,(H,22,23)/b4-2-",ITENTBHADJNDDH,RQOWECAXSA,N,Chlorogenoquinone,ITENTBHADJNDDH-RQOWECAXSA-N
HMDB29384,191.090605919,C6H13N3O4,NC(CC(O)CNC(O)=N)C(O)=O,"InChI=1S/C6H13N3O4/c7-4(5(11)12)1-3(10)2-9-6(8)13/h3-4,10H,1-2,7H2,(H,11,12)(H3,8,9,13)",WSFLFFUIEVIDJY,UHFFFAOYSA,N,4-Hydroxycitrulline,WSFLFFUIEVIDJY-UHFFFAOYSA-N
HMDB29386,308.100836254,C14H16N2O6,OC(=O)C1C\C(=C/C=[N+]2\CCCC2C([O-])=O)C=C(N1)C(O)=O,"InChI=1S/C14H16N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,5-6,10-11H,1-2,4,7H2,(H3,17,18,19,20,21,22)",RJIIQBYZGJSODH,UHFFFAOYSA,N,Indicaxanthin,RJIIQBYZGJSODH-UHFFFAOYSA-N
HMDB29387,101.047678473,C4H7NO2,NC1CCOC1=O,"InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2",QJPWUUJVYOJNMH,UHFFFAOYSA,N,L-3-Aminodihydro-2(3H)-furanone,QJPWUUJVYOJNMH-UHFFFAOYSA-N
HMDB29388,212.141244506,C12H20O3,CC\C=C\CC1C(O)CCC1CC(O)=O,"InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3+",LYSGIJUGUGJIPS,ONEGZZNKSA,N,Cucurbic acid,LYSGIJUGUGJIPS-ONEGZZNKSA-N
HMDB29389,135.053157781,C4H9NO4,NC(C(O)CO)C(O)=O,"InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)",JBNUARFQOCGDRK,UHFFFAOYSA,N,"(+)-threo-2-Amino-3,4-dihydroxybutanoic acid",JBNUARFQOCGDRK-UHFFFAOYSA-N
HMDB29390,254.126657074,C12H18N2O4,NC(CCCCNCC(=O)C1=CC=CO1)C(O)=O,"InChI=1S/C12H18N2O4/c13-9(12(16)17)4-1-2-6-14-8-10(15)11-5-3-7-18-11/h3,5,7,9,14H,1-2,4,6,8,13H2,(H,16,17)",YQHPCDPFXQXCMV,UHFFFAOYSA,N,L-Furosine,YQHPCDPFXQXCMV-UHFFFAOYSA-N
HMDB29391,323.209658421,C18H29NO4,CC\C=C\CC1C(CC(=O)NC(C(C)CC)C(O)=O)CCC1=O,"InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6+",IBZYPBGPOGJMBF,VOTSOKGWSA,N,N-Jasmonoylisoleucine,IBZYPBGPOGJMBF-VOTSOKGWSA-N
HMDB29393,232.105921632,C9H16N2O5,NC(CCC(O)=NCCCC(O)=O)C(O)=O,"InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)",MKYPKZSGLSOGLL,UHFFFAOYSA,N,L-N-(3-Carboxypropyl)glutamine,MKYPKZSGLSOGLL-UHFFFAOYSA-N
HMDB29394,393.120585417,C14H23N3O8S,CC(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C14H23N3O8S/c1-7(13(22)23)5-26-6-9(12(21)16-4-11(19)20)17-10(18)3-2-8(15)14(24)25/h7-9H,2-6,15H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)",JQWABENXVMJJMW,UHFFFAOYSA,N,gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,JQWABENXVMJJMW-UHFFFAOYSA-N
HMDB29395,321.099456045,C11H19N3O6S,NC(CC\C(O)=N\C(CS)C(\O)=N\CCC(O)=O)C(O)=O,"InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)",HKBNQXMLSMKLJV,UHFFFAOYSA,N,L-L-Homoglutathione,HKBNQXMLSMKLJV-UHFFFAOYSA-N
HMDB29396,130.074227574,C5H10N2O2,NC1CCNC1C(O)=O,"InChI=1S/C5H10N2O2/c6-3-1-2-7-4(3)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)",VJLXSTXGGXYQCT,UHFFFAOYSA,N,L-cis-3-Amino-2-pyrrolidinecarboxylic acid,VJLXSTXGGXYQCT-UHFFFAOYSA-N
HMDB29397,224.079706882,C10H12N2O4,NC(CC[N+]1=CC(=CC=C1)C([O-])=O)C(O)=O,"InChI=1S/C10H12N2O4/c11-8(10(15)16)3-5-12-4-1-2-7(6-12)9(13)14/h1-2,4,6,8H,3,5,11H2,(H-,13,14,15,16)",ZPRKDLMMZXBFPH,UHFFFAOYSA,N,L-Nicotianine,ZPRKDLMMZXBFPH-UHFFFAOYSA-N
HMDB29398,149.043655727,C3H7N3O4,NC(CNN(=O)=O)C(O)=O,"InChI=1S/C3H7N3O4/c4-2(3(7)8)1-5-6(9)10/h2,5H,1,4H2,(H,7,8)",QMXHUFVYJLFLRY,UHFFFAOYSA,N,(3-Nitroamino)alanine,QMXHUFVYJLFLRY-UHFFFAOYSA-N
HMDB29399,403.08226502,C20H18ClNO6,C[C@@H]1CC2=C(C(=O)O1)C(O)=C(C=C2Cl)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1",RWQKHEORZBHNRI,BMIGLBTASA,N,Ochratoxin A,RWQKHEORZBHNRI-BMIGLBTASA-N
HMDB29400,431.113565148,C22H22ClNO6,CCOC(=O)C(CC1=CC=CC=C1)N=C(O)C1=CC(Cl)=C2CC(C)OC(=O)C2=C1O,"InChI=1S/C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)",BPZZWRPHVVDAPT,UHFFFAOYSA,N,Ochratoxin C,BPZZWRPHVVDAPT-UHFFFAOYSA-N
HMDB29401,369.121237345,C20H19NO6,CC1CC2=C(C(=O)O1)C(O)=C(C=C2)C(O)=NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)",DAEYIVCTQUFNTM,UHFFFAOYSA,N,Ochratoxin B,DAEYIVCTQUFNTM-UHFFFAOYSA-N
HMDB29402,176.043321376,C5H8N2O5,NC(CNC(=O)C(O)=O)C(O)=O,"InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)",NEEQFPMRODQIKX,UHFFFAOYSA,N,L-2-Amino-3-(oxalylamino)propanoic acid,NEEQFPMRODQIKX-UHFFFAOYSA-N
HMDB29403,260.100836254,C10H16N2O6,NC(CC(O)C(\O)=N\C1OCC=C1CO)C(O)=O,"InChI=1S/C10H16N2O6/c11-6(10(16)17)3-7(14)8(15)12-9-5(4-13)1-2-18-9/h1,6-7,9,13-14H,2-4,11H2,(H,12,15)(H,16,17)",FKPGGSOHTXQOGP,UHFFFAOYSA,N,Oxypinnatanine,FKPGGSOHTXQOGP-UHFFFAOYSA-N
HMDB29404,334.101230184,C12H18N2O9,NC(CC1=CN(OC1=O)C1OC(CO)C(O)C(O)C1O)C(O)=O,"InChI=1S/C12H18N2O9/c13-5(11(19)20)1-4-2-14(23-12(4)21)10-9(18)8(17)7(16)6(3-15)22-10/h2,5-10,15-18H,1,3,13H2,(H,19,20)",OURYTICKCZBKFC,UHFFFAOYSA,N,"(S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside",OURYTICKCZBKFC-UHFFFAOYSA-N
HMDB29405,548.127838864,C24H24N2O13,OCC1OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3C=C(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)C(O)C1O,"InChI=1S/C24H24N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-4,6-7,14,17-20,24,27,29-31H,5,8H2,(H4,28,32,33,34,35,36,37)",KRZLUOUGQYWELW,UHFFFAOYSA,N,Neobetanin,KRZLUOUGQYWELW-UHFFFAOYSA-N
HMDB29406,726.175576916,C30H34N2O19,OCC1OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3\CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O,"InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)",ATSKDYKYMQVTGH,UHFFFAOYSA,N,Amaranthin,ATSKDYKYMQVTGH-UHFFFAOYSA-N
HMDB29407,388.090665498,C18H16N2O8,OC(=O)C1C\C(=C/C=[N+]2\C(CC3=CC(O)=C(O)C=C23)C([O-])=O)C=C(N1)C(O)=O,"InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H5,21,22,23,24,25,26,27,28)",XHJKHSXHWJCBLX,UHFFFAOYSA,N,Betanidin,XHJKHSXHWJCBLX-UHFFFAOYSA-N
HMDB29408,550.143488928,C24H26N2O13,OCC1OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3\CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)C(O)C1O,"InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)",DHHFDKNIEVKVKS,UHFFFAOYSA,N,Betanin,DHHFDKNIEVKVKS-UHFFFAOYSA-N
HMDB29409,159.089543287,C7H13NO3,C[N+]1(C)C[C@H](O)C[C@@H]1C([O-])=O,"InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6-/m1/s1",MUNWAHDYFVYIKH,PHDIDXHHSA,N,Turicine,MUNWAHDYFVYIKH-PHDIDXHHSA-N
HMDB29410,150.079312952,C8H10N2O,CCC1=NC=CN=C1C(C)=O,"InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3",PPJSYGVFDJEMRP,UHFFFAOYSA,N,2-Acetyl-3-ethylpyrazine,PPJSYGVFDJEMRP-UHFFFAOYSA-N
HMDB29411,630.100303484,C24H26N2O16S,OC1C(O)C(COS(O)(=O)=O)OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3\CC(NC(=C3)C(O)=O)C(O)=O)=C2)C1O,"InChI=1S/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,28-30H,4-5,8H2,(H5,27,31,32,33,34,35,36,37,38,39)",OZXPZOHWSFDUDY,UHFFFAOYSA,N,Prebetanin,OZXPZOHWSFDUDY-UHFFFAOYSA-N
HMDB29412,159.089543287,C7H13NO3,C[N+]1(C)C[C@H](O)C[C@H]1C([O-])=O,"InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1",MUNWAHDYFVYIKH,RITPCOANSA,N,Betonicine,MUNWAHDYFVYIKH-RITPCOANSA-N
HMDB29413,640.183262026,C22H36N6O12S2,NC(CC\C(O)=N\C(CSSCC(\N=C(/O)CCC(N)C(O)=O)C(\O)=N\CCC(O)=O)C(\O)=N\CCC(O)=O)C(O)=O,"InChI=1S/C22H36N6O12S2/c23-11(21(37)38)1-3-15(29)27-13(19(35)25-7-5-17(31)32)9-41-42-10-14(20(36)26-8-6-18(33)34)28-16(30)4-2-12(24)22(39)40/h11-14H,1-10,23-24H2,(H,25,35)(H,26,36)(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,37,38)(H,39,40)",NHIHYSIMMYLVDO,UHFFFAOYSA,N,Bis-gamma-glutamylcysteinylbis-beta-alanine,NHIHYSIMMYLVDO-UHFFFAOYSA-N
HMDB29414,199.048072403,C8H9NO5,NC(CC1=COC=C1C(O)=O)C(O)=O,"InChI=1S/C8H9NO5/c9-6(8(12)13)1-4-2-14-3-5(4)7(10)11/h2-3,6H,1,9H2,(H,10,11)(H,12,13)",XZTCUENJMGJQGJ,UHFFFAOYSA,N,(S)-alpha-Amino-4-carboxy-3-furanpropanoic acid,XZTCUENJMGJQGJ-UHFFFAOYSA-N
HMDB29415,179.025228471,C5H9NO4S,NC(CSCC(O)=O)C(O)=O,"InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)",GBFLZEXEOZUWRN,UHFFFAOYSA,N,S-Carboxymethyl-L-cysteine,GBFLZEXEOZUWRN-UHFFFAOYSA-N
HMDB29416,188.127325776,C7H16N4O2,CNC(=N)NCCC[C@H](N)C(O)=O,"InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1",NTNWOCRCBQPEKQ,YFKPBYRVSA,N,L-Targinine,NTNWOCRCBQPEKQ-YFKPBYRVSA-N
HMDB29417,177.045963913,C6H11NO3S,CC1CS(=O)CC(N1)C(O)=O,"InChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)",JYMHODZXTIGVPA,UHFFFAOYSA,N,Cycloalliin,JYMHODZXTIGVPA-UHFFFAOYSA-N
HMDB29418,237.030707779,C7H11NO6S,NC(CSC(CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)",XPKKFTKCRVIDAG,UHFFFAOYSA,N,S-Cysteinosuccinic acid,XPKKFTKCRVIDAG-UHFFFAOYSA-N
HMDB29419,189.074955855,C6H11N3O4,NC\C(O)=N\C\C(O)=N\CC(O)=O,"InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)",XKUKSGPZAADMRA,UHFFFAOYSA,N,Glycylglycylglycine,XKUKSGPZAADMRA-UHFFFAOYSA-N
HMDB29420,426.386166222,C30H50O,C\C=C(/CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8+",LPZCCMIISIBREI,GZIVZEMBSA,N,"(3beta,4beta,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol",LPZCCMIISIBREI-GZIVZEMBSA-N
HMDB29421,296.050063012,C9H16N2O5S2,C\C(O)=N\C(CSCSCC(N)C(O)=O)C(O)=O,"InChI=1S/C9H16N2O5S2/c1-5(12)11-7(9(15)16)3-18-4-17-2-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)",KXLLUVVNYPFZTI,UHFFFAOYSA,N,N-Acetyldjenkolic acid,KXLLUVVNYPFZTI-UHFFFAOYSA-N
HMDB29422,197.116426739,C9H15N3O2,C[N+](C)(C)C(CC1=CN=CN1)C([O-])=O,"InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)",GPPYTCRVKHULJH,UHFFFAOYSA,N,L-Histidine trimethylbetaine,GPPYTCRVKHULJH-UHFFFAOYSA-N
HMDB29423,161.068807845,C6H11NO4,CC(=O)OCCC(N)C(O)=O,"InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)",FCXZBWSIAGGPCB,UHFFFAOYSA,N,Acetylhomoserine,FCXZBWSIAGGPCB-UHFFFAOYSA-N
HMDB29424,162.064056818,C5H10N2O4,NC(CC(O)C(O)=N)C(O)=O,"InChI=1S/C5H10N2O4/c6-2(5(10)11)1-3(8)4(7)9/h2-3,8H,1,6H2,(H2,7,9)(H,10,11)",VTJRNXQBJNWLRA,UHFFFAOYSA,N,L-4-Hydroxyglutamine,VTJRNXQBJNWLRA-UHFFFAOYSA-N
HMDB29425,145.073893223,C6H11NO3,OCC1CNC(C1)C(O)=O,"InChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10)",CISMGNUPDUKNQK,UHFFFAOYSA,N,L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid,CISMGNUPDUKNQK-UHFFFAOYSA-N
HMDB29426,145.073893223,C6H11NO3,OC1CCC(NC1)C(O)=O,"InChI=1S/C6H11NO3/c8-4-1-2-5(6(9)10)7-3-4/h4-5,7-8H,1-3H2,(H,9,10)",RKEYKDXXZCICFZ,UHFFFAOYSA,N,L-trans-5-Hydroxy-2-piperidinecarboxylic acid,RKEYKDXXZCICFZ-UHFFFAOYSA-N
HMDB29427,141.078978601,C7H11NO2,NC(CC1CC1=C)C(O)=O,"InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)",OOJZCXFXPZGUBJ,UHFFFAOYSA,N,L-Hypoglycin A,OOJZCXFXPZGUBJ-UHFFFAOYSA-N
HMDB29428,270.121571696,C12H18N2O5,NC(CCC(=O)NC(CC1CC1=C)C(O)=O)C(O)=O,"InChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)",UYDZYCPIQSRXKU,UHFFFAOYSA,N,Hypoglycin B,UYDZYCPIQSRXKU-UHFFFAOYSA-N
HMDB29429,529.239260763,C23H39N5O5S2,CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C2CSSCC(NC1=O)C(=O)N2)C(C)C,"InChI=1S/C23H39N5O5S2/c1-7-13(6)18-23(33)26-15-9-34-35-10-16(25-20(15)30)21(31)27-17(12(4)5)22(32)24-14(8-11(2)3)19(29)28-18/h11-18H,7-10H2,1-6H3,(H,24,32)(H,25,30)(H,26,33)(H,27,31)(H,28,29)",RNCGDQLZIATDOU,UHFFFAOYSA,N,Malformin,RNCGDQLZIATDOU-UHFFFAOYSA-N
HMDB29430,180.05686295,C5H12N2O3S,CS(=N)(=O)CCC(N)C(O)=O,"InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)",SXTAYKAGBXMACB,UHFFFAOYSA,N,Methionine sulfoximine,SXTAYKAGBXMACB-UHFFFAOYSA-N
HMDB29431,1080.571639122,C52H88O23,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O,"InChI=1S/C52H88O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h21-49,53-65H,7-20H2,1-6H3",RMIGIJOANVYVOV,UHFFFAOYSA,N,"(3b,5a,22x,25S)-Furostane-22-methoxy-3,26-diol 3-[rhamnosyl-(1->2)-[glucosyl-(1->3)]-glucoside] 26-glucoside",RMIGIJOANVYVOV-UHFFFAOYSA-N
HMDB29432,151.030313849,C4H9NO3S,CS(=O)CC(N)C(O)=O,"InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",ZZLHPCSGGOGHFW,UHFFFAOYSA,N,(S)C(S)S-S-Methylcysteine sulfoxide,ZZLHPCSGGOGHFW-UHFFFAOYSA-N
HMDB29433,159.053157781,C6H9NO4,NC(CC(=C)C(O)=O)C(O)=O,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)",RCCMXKJGURLWPB,UHFFFAOYSA,N,L-2-Amino-4-methylenepentanedioic acid,RCCMXKJGURLWPB-UHFFFAOYSA-N
HMDB29434,127.063328537,C6H9NO2,OC(=O)C1CC(=C)CN1,"InChI=1S/C6H9NO2/c1-4-2-5(6(8)9)7-3-4/h5,7H,1-3H2,(H,8,9)",PEYQZZMUNYLHII,UHFFFAOYSA,N,(±)-4-Methylene-2-pyrrolidinecarboxylic acid,PEYQZZMUNYLHII-UHFFFAOYSA-N
HMDB29435,129.078978601,C6H11NO2,CC1CNC(C1)C(O)=O,"InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)",KKJQZEWNZXRJFG,UHFFFAOYSA,N,L-trans-4-Methyl-2-pyrrolidinecarboxylic acid,KKJQZEWNZXRJFG-UHFFFAOYSA-N
HMDB29436,202.05897144,C7H10N2O5,NC(C1CC(NC1=O)C(O)=O)C(O)=O,"InChI=1S/C7H10N2O5/c8-4(7(13)14)2-1-3(6(11)12)9-5(2)10/h2-4H,1,8H2,(H,9,10)(H,11,12)(H,13,14)",QEFCFJFZZLNSPP,UHFFFAOYSA,N,Penmacric acid,QEFCFJFZZLNSPP-UHFFFAOYSA-N
HMDB29437,262.116486318,C10H18N2O6,NCCCC(NC(CCC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C10H18N2O6/c11-5-1-2-6(9(15)16)12-7(10(17)18)3-4-8(13)14/h6-7,12H,1-5,11H2,(H,13,14)(H,15,16)(H,17,18)",UXZAXFPFSQRZOZ,UHFFFAOYSA,N,Nopalinic acid,UXZAXFPFSQRZOZ-UHFFFAOYSA-N
HMDB29438,254.078006122,C6H15N4O5P,NC(CCCNC(=N)NP(O)(O)=O)C(O)=O,"InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)",CCTIOCVIZPCTGO,UHFFFAOYSA,N,L-Phosphoarginine,CCTIOCVIZPCTGO-UHFFFAOYSA-N
HMDB29439,244.105921632,C10H16N2O5,NC(CC(O)C(\O)=N\C=C(\CO)C=C)C(O)=O,"InChI=1S/C10H16N2O5/c1-2-6(5-13)4-12-9(15)8(14)3-7(11)10(16)17/h2,4,7-8,13-14H,1,3,5,11H2,(H,12,15)(H,16,17)/b6-4+",VYDAYIZJJUOQMT,GQCTYLIASA,N,"(2S,4S)-Pinnatanine",VYDAYIZJJUOQMT-GQCTYLIASA-N
HMDB29440,161.051049291,C6H11NO2S,C\C=C/SCC(N)C(O)=O,"InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2-",HYGGRRPFVXHQQW,IHWYPQMZSA,N,trans-S-(1-Propenyl)-L-cysteine,HYGGRRPFVXHQQW-IHWYPQMZSA-N
HMDB29441,177.045963913,C6H11NO3S,C\C=C/S(=O)CC(N)C(O)=O,"InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2-",OKYHUOHBRKWCQJ,IHWYPQMZSA,N,Isoalliin,OKYHUOHBRKWCQJ-IHWYPQMZSA-N
HMDB29442,179.061613977,C6H13NO3S,CCCS(=O)CC(N)C(O)=O,"InChI=1S/C6H13NO3S/c1-2-3-11(10)4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",JZKMSAGUCSIIAH,UHFFFAOYSA,N,(R)C(R)S-S-Propylcysteine sulfoxide,JZKMSAGUCSIIAH-UHFFFAOYSA-N
HMDB29443,254.126657074,C12H18N2O4,CC1=CC(=O)C(O)=CN1CCCCC(N)C(O)=O,"InChI=1S/C12H18N2O4/c1-8-6-10(15)11(16)7-14(8)5-3-2-4-9(13)12(17)18/h6-7,9,16H,2-5,13H2,1H3,(H,17,18)",HNGPZFLHRXCYGZ,UHFFFAOYSA,N,L-Pyridosine,HNGPZFLHRXCYGZ-UHFFFAOYSA-N
HMDB29444,129.078978601,C6H11NO2,OC(=O)CC1CCCN1,"InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)",ADSALMJPJUKESW,UHFFFAOYSA,N,2-Pyrrolidineacetic acid,ADSALMJPJUKESW-UHFFFAOYSA-N
HMDB29445,254.090271568,C11H14N2O5,NC(CCC(=O)NC1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C11H14N2O5/c12-7(11(17)18)2-4-10(16)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,14-15H,2,4,12H2,(H,13,16)(H,17,18)",HJLNKWYSKFDHDG,UHFFFAOYSA,N,L-Agaridoxin,HJLNKWYSKFDHDG-UHFFFAOYSA-N
HMDB29447,233.137556111,C9H19N3O4,NC(CCCCNCC(N)C(O)=O)C(O)=O,"InChI=1S/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)",IMSOBGJSYSFTKG,UHFFFAOYSA,N,Lysinoalanine,IMSOBGJSYSFTKG-UHFFFAOYSA-N
HMDB29448,219.121906047,C8H17N3O4,NC(CCCNCC(N)C(O)=O)C(O)=O,"InChI=1S/C8H17N3O4/c9-5(7(12)13)2-1-3-11-4-6(10)8(14)15/h5-6,11H,1-4,9-10H2,(H,12,13)(H,14,15)",BKYZUPUACXSQQT,UHFFFAOYSA,N,DL-Ornithino-L-alanine,BKYZUPUACXSQQT-UHFFFAOYSA-N
HMDB29449,147.089543287,C6H13NO3,CC(O)C(C)C(N)C(O)=O,"InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)",OSCCDBFHNMXNME,UHFFFAOYSA,N,"(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid",OSCCDBFHNMXNME-UHFFFAOYSA-N
HMDB29450,307.101564535,C10H17N3O8,NC(CNC(CNC(CC(O)=O)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)",XFTWUNOVBCHBJR,UHFFFAOYSA,N,Aspergillomarasmine A,XFTWUNOVBCHBJR-UHFFFAOYSA-N
HMDB29451,238.095356946,C11H14N2O4,OC(=N)CCC(NC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C11H14N2O4/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(14)4-2-7/h1-4,9,13-14H,5-6H2,(H2,12,15)(H,16,17)",SKLQABVRGGRTIT,UHFFFAOYSA,N,gamma-Glutaminyl-4-hydroxybenzene,SKLQABVRGGRTIT-UHFFFAOYSA-N
HMDB29452,359.121631275,C15H21NO9,NC(CC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1)C(O)=O,"InChI=1S/C15H21NO9/c16-7(14(22)23)3-6-1-2-8(18)9(4-6)24-15-13(21)12(20)11(19)10(5-17)25-15/h1-2,4,7,10-13,15,17-21H,3,5,16H2,(H,22,23)",NIMVDZOWEYJNTR,UHFFFAOYSA,N,L-DOPA 3'-glucoside,NIMVDZOWEYJNTR-UHFFFAOYSA-N
HMDB29453,916.539551134,C47H80O17,COC1CC(C)OC(OC2CC(OC2C2(C)CCC(O2)C2(C)CCC3(CC(O)C(C)C(O3)C(C)C3OC(O)(CC(O)=O)C(C)C(OC)C3OC)O2)C2OC(C)(O)C(C)CC2C)C1OC,"InChI=1S/C47H80O17/c1-23-18-24(2)45(9,51)61-35(23)31-20-32(59-42-39(55-12)30(53-10)19-25(3)57-42)41(58-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)26(4)36(62-46)27(5)37-40(56-13)38(54-11)28(6)47(52,63-37)22-34(49)50/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50)",VVYPHUVLJAPZHM,UHFFFAOYSA,N,Maduramicin,VVYPHUVLJAPZHM-UHFFFAOYSA-N
HMDB29455,183.089543287,C9H13NO3,COCC1=C(CO)C=NC(C)=C1O,"InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3",SVINQHQHARVZFF,UHFFFAOYSA,N,Ginkgotoxin,SVINQHQHARVZFF-UHFFFAOYSA-N
HMDB29456,182.094294314,C10H14O3,CCCCCOC(=O)C1=CC=CO1,"InChI=1S/C10H14O3/c1-2-3-4-7-13-10(11)9-6-5-8-12-9/h5-6,8H,2-4,7H2,1H3",BGJZMKPSRLHMME,UHFFFAOYSA,N,Amyl 2-furoate,BGJZMKPSRLHMME-UHFFFAOYSA-N
HMDB29457,202.026608673,C11H6O4,[H]OC1=C2OC(=O)C([H])=C([H])C2=C([H])C2=C1OC([H])=C2[H],"InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H",JWVYQQGERKEAHW,UHFFFAOYSA,N,Xanthotoxol,JWVYQQGERKEAHW-UHFFFAOYSA-N
HMDB29458,402.31339521,C26H42O3,CCCCCCCCCCCCCCCC(=O)OC1=CC=C(CC=C)C=C1OC,"InChI=1S/C26H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26(27)29-24-21-20-23(18-5-2)22-25(24)28-3/h5,20-22H,2,4,6-19H2,1,3H3",QZCTXVLQHKKTGL,UHFFFAOYSA,N,Oryzarol,QZCTXVLQHKKTGL-UHFFFAOYSA-N
HMDB29459,356.125988372,C20H20O6,COC1=C(O)C=CC(=C1)C1OCC2C1COC2C1=CC2=C(OCO2)C=C1,"InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3",VBIRCRCPHNUJAS,UHFFFAOYSA,N,Xanthoxylol,VBIRCRCPHNUJAS-UHFFFAOYSA-N
HMDB29460,356.05321736,C18H12O8,OC(=O)C(=C1\OC(=O)C(=C1O)C1=CC=C(O)C(O)=C1)\C1=CC=C(O)C=C1,"InChI=1S/C18H12O8/c19-10-4-1-8(2-5-10)14(17(23)24)16-15(22)13(18(25)26-16)9-3-6-11(20)12(21)7-9/h1-7,19-22H,(H,23,24)/b16-14+",LJVSOLKVNIGBDE,JQIJEIRASA,N,Xerocomic acid,LJVSOLKVNIGBDE-JQIJEIRASA-N
HMDB29461,342.110338308,C19H18O6,COC1=CC=CC(OC)=C1C1=CC(=O)C2=C(O1)C=CC(OC)=C2OC,"InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3",PBQMALAAFQMDSP,UHFFFAOYSA,N,Zapotin,PBQMALAAFQMDSP-UHFFFAOYSA-N
HMDB29462,256.073558872,C15H12O4,OC1=CC=C(C=C1)C(=O)\C=C\C1=CC=C(O)C=C1O,"InChI=1S/C15H12O4/c16-12-5-1-10(2-6-12)14(18)8-4-11-3-7-13(17)9-15(11)19/h1-9,16-17,19H/b8-4+",VDYSHUXENHRSOO,XBXARRHUSA,N,"(E)-2,4,4'-Trihydroxychalcone",VDYSHUXENHRSOO-XBXARRHUSA-N
HMDB29463,244.037173366,C13H8O5,OC1=CC=C2OC3=C(C(O)=CC(O)=C3)C(=O)C2=C1,"InChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H",JJUNZBRHHGLJQW,UHFFFAOYSA,N,Gentisein,JJUNZBRHHGLJQW-UHFFFAOYSA-N
HMDB29464,418.199153314,C23H30O7,CCC1OC2OC(\C=C/C=C/C=C/C3=C(C)C(OC)=CC(=O)O3)C(O)C2(C)C1(C)O,"InChI=1S/C23H30O7/c1-6-18-23(4,26)22(3)20(25)16(29-21(22)30-18)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15/h7-13,16,18,20-21,25-26H,6H2,1-5H3/b8-7+,11-9+,12-10-",GPXPJKFETRLRAS,CDIKDJIESA,N,Asteltoxin,GPXPJKFETRLRAS-CDIKDJIESA-N
HMDB29465,320.032087988,C18H8O6,O=C1OC2=CC3=C(C=CO3)C=C2C2=C1C1=CC3=C(OCO3)C=C1O2,"InChI=1S/C18H8O6/c19-18-16-9-4-14-15(22-7-21-14)6-12(9)23-17(16)10-3-8-1-2-20-11(8)5-13(10)24-18/h1-6H,7H2",YQXNKHVPEJJBTJ,UHFFFAOYSA,N,Erosnin,YQXNKHVPEJJBTJ-UHFFFAOYSA-N
HMDB29466,206.057908808,C11H10O4,CC1=CC(=O)C2=C(O1)C=C(O)C(C)=C2O,"InChI=1S/C11H10O4/c1-5-3-8(13)10-9(15-5)4-7(12)6(2)11(10)14/h3-4,12,14H,1-2H3",HMAUJNAGOIPKDG,UHFFFAOYSA,N,Eugenitol,HMAUJNAGOIPKDG-UHFFFAOYSA-N
HMDB29467,220.073558872,C12H12O4,COC1=CC2=C(C(=O)C=C(C)O2)C(O)=C1C,"InChI=1S/C12H12O4/c1-6-4-8(13)11-10(16-6)5-9(15-3)7(2)12(11)14/h4-5,14H,1-3H3",RGTSAUBIQAKKLC,UHFFFAOYSA,N,Eugenitin,RGTSAUBIQAKKLC-UHFFFAOYSA-N
HMDB29468,340.13107375,C20H20O5,CC(=C)C(O)CC1=C(O)C=CC2=C1OC1C2COC2=C1C=CC(O)=C2,"InChI=1S/C20H20O5/c1-10(2)17(23)8-14-16(22)6-5-12-15-9-24-18-7-11(21)3-4-13(18)20(15)25-19(12)14/h3-7,15,17,20-23H,1,8-9H2,2H3",LRCYZCCKRIVTHN,UHFFFAOYSA,N,Dolichin B,LRCYZCCKRIVTHN-UHFFFAOYSA-N
HMDB29469,344.089602866,C18H16O7,COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C=C(O)C(OC)=C2O,"InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3",DRRWBCNQOKKKOL,UHFFFAOYSA,N,Eupatilin,DRRWBCNQOKKKOL-UHFFFAOYSA-N
HMDB29470,222.089208936,C12H14O4,COC1=C(OC)C(\C=C\C)=CC2=C1OCO2,"InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4-6H,7H2,1-3H3/b5-4+",OEDZKYGAFWDLGE,SNAWJCMRSA,N,Isodillapiole,OEDZKYGAFWDLGE-SNAWJCMRSA-N
HMDB29471,502.199153314,C30H30O7,CC(C)=CCC1=C(O)C2=C(OC3=C(CC(OC4=C3C=C(O)C(O)=C4)=C(C)C)C2=O)C2=C1OC(C)(C)C=C2,"InChI=1S/C30H30O7/c1-14(2)7-8-16-25(33)24-26(34)19-12-22(15(3)4)35-23-13-21(32)20(31)11-18(23)27(19)36-29(24)17-9-10-30(5,6)37-28(16)17/h7,9-11,13,31-33H,8,12H2,1-6H3",PNKNNRLOQYRSCW,UHFFFAOYSA,N,Isocycloheterophyllin,PNKNNRLOQYRSCW-UHFFFAOYSA-N
HMDB29472,206.057908808,C11H10O4,CC1=CC(=O)C2=C(O)C=C(O)C(C)=C2O1,"InChI=1S/C11H10O4/c1-5-3-8(13)10-9(14)4-7(12)6(2)11(10)15-5/h3-4,12,14H,1-2H3",XSSGQRFNGHRFBC,UHFFFAOYSA,N,Isoeugenitol,XSSGQRFNGHRFBC-UHFFFAOYSA-N
HMDB29473,220.073558872,C12H12O4,COC1=C(C)C2=C(C(O)=C1)C(=O)C=C(C)O2,"InChI=1S/C12H12O4/c1-6-4-8(13)11-9(14)5-10(15-3)7(2)12(11)16-6/h4-5,14H,1-3H3",DFAAYQHTFVTATL,UHFFFAOYSA,N,Isoeugenitin,DFAAYQHTFVTATL-UHFFFAOYSA-N
HMDB29474,290.151809192,C17H22O4,CCCCCC(=O)CC(=O)\C=C/C1=CC(OC)=C(O)C=C1,"InChI=1S/C17H22O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h7-11,20H,3-6,12H2,1-2H3/b9-7-",JUKHKHMSQCQHEN,CLFYSBASSA,N,[6]-Dehydrogingerdione,JUKHKHMSQCQHEN-CLFYSBASSA-N
HMDB29475,348.230059512,C21H32O4,CCCCCCCCCC(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,24H,3-11,13,16H2,1-2H3",QPSYZJDGMPQMSV,UHFFFAOYSA,N,[10]-Gingerdione,QPSYZJDGMPQMSV-UHFFFAOYSA-N
HMDB29476,346.214409448,C21H30O4,CCCCCCCCCC(=O)CC(=O)\C=C/C1=CC(OC)=C(O)C=C1,"InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-15,24H,3-10,16H2,1-2H3/b13-11-",QJDGTTCAEQPSJA,QBFSEMIESA,N,[10]-Dehydrogingerdione,QJDGTTCAEQPSJA-QBFSEMIESA-N
HMDB29477,422.084911418,C19H18O11,OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC1=C(C=C(O)C(O)=C1)C2=O,"InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2",CDYBOKJASDEORM,UHFFFAOYSA,N,Isomangiferin,CDYBOKJASDEORM-UHFFFAOYSA-N
HMDB29478,610.153384912,C27H30O16,OCC1OC(OC2C(O)C(O)C(CO)OC2C2=C(O)C3=C(OC(=CC3=O)C3=CC=C(O)C(O)=C3)C=C2O)C(O)C(O)C1O,"InChI=1S/C27H30O16/c28-6-15-20(35)23(38)26(43-27-24(39)22(37)19(34)16(7-29)42-27)25(41-15)18-12(33)5-14-17(21(18)36)11(32)4-13(40-14)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2",QWAZWXOCSOFIPS,UHFFFAOYSA,N,Meloside L,QWAZWXOCSOFIPS-UHFFFAOYSA-N
HMDB29479,478.111126168,C22H22O12,COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3",YCUNOXSUHVGZRI,UHFFFAOYSA,N,Isorhamnetin 7-glucoside,YCUNOXSUHVGZRI-UHFFFAOYSA-N
HMDB29480,802.216773028,C34H42O22,COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1,"InChI=1S/C34H42O22/c1-49-14-4-10(2-3-12(14)38)29-30(23(43)19-13(39)5-11(6-15(19)51-29)50-32-27(47)24(44)20(40)16(7-35)52-32)55-34-31(26(46)22(42)18(9-37)54-34)56-33-28(48)25(45)21(41)17(8-36)53-33/h2-6,16-18,20-22,24-28,31-42,44-48H,7-9H2,1H3",GFXVHGLRIICEQY,UHFFFAOYSA,N,Brassicoside,GFXVHGLRIICEQY-UHFFFAOYSA-N
HMDB29481,448.136946988,C22H24O10,COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C=C2O,"InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3",KEEWIHDTSNESJZ,UHFFFAOYSA,N,Isosakuranin,KEEWIHDTSNESJZ-UHFFFAOYSA-N
HMDB29482,594.194855796,C28H34O14,COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O,"InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3",RMCRQBAILCLJGU,UHFFFAOYSA,N,Didymin,RMCRQBAILCLJGU-UHFFFAOYSA-N
HMDB29483,564.126776232,C29H24O12,OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C2=C1C=C(C=C(O)C2=O)C1OC2=CC(O)=CC(O)=C2CC1O,"InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)",IPMYMEWFZKHGAX,UHFFFAOYSA,N,Isotheaflavin,IPMYMEWFZKHGAX-UHFFFAOYSA-N
HMDB29484,594.15847029,C27H30O15,OCC1OC(OC2C(O)C(O)C(CO)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2",RQTTXGQDIROLTQ,UHFFFAOYSA,N,Isovitexin 2''-O-glucoside,RQTTXGQDIROLTQ-UHFFFAOYSA-N
HMDB29485,602.360739332,C38H50O6,CC(C)=CCC1CC23CC(CC=C(C)C)C(C)(C)C(CC=C(C)C)(C(=O)C(C(=O)C4=CC(O)=C(O)C=C4)=C2OC1(C)C)C3=O,"InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3",KXTNVBQRLRYVCO,UHFFFAOYSA,N,(+)-Isoxanthochymol,KXTNVBQRLRYVCO-UHFFFAOYSA-N
HMDB29486,368.125988372,C21H20O6,COC1=CC(O)=C2C(=O)C(CC=C(C)C)=C(OC2=C1)C1=C(O)C=C(O)C=C1,"InChI=1S/C21H20O6/c1-11(2)4-6-15-20(25)19-17(24)9-13(26-3)10-18(19)27-21(15)14-7-5-12(22)8-16(14)23/h4-5,7-10,22-24H,6H2,1-3H3",CTCHDPAJHVDPRN,UHFFFAOYSA,N,Integrin,CTCHDPAJHVDPRN-UHFFFAOYSA-N
HMDB29487,114.068079564,C6H10O2,CCC(=O)OCC=C,"InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3",XRFWKHVQMACVTA,UHFFFAOYSA,N,Allyl propionate,XRFWKHVQMACVTA-UHFFFAOYSA-N
HMDB29488,382.214409448,C24H30O4,CC1(C)C(O)CCC2(C)C(COC3=CC4=C(C=CC(=O)O4)C=C3)C(=C)CCC12,"InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3",FCWYNTDTQPCVPG,UHFFFAOYSA,N,Farnesiferol A,FCWYNTDTQPCVPG-UHFFFAOYSA-N
HMDB29489,382.214409448,C24H30O4,C\C(CCC1C(=C)CCC(O)C1(C)C)=C\COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,20,22,25H,2,5-6,10-11,14H2,1,3-4H3/b16-13-",XXKXCRGLMFAXTK,SSZFMOIBSA,N,Farnesiferol B,XXKXCRGLMFAXTK-SSZFMOIBSA-N
HMDB29490,382.214409448,C24H30O4,C\C(CCC1C2(C)CCC(O2)C1(C)C)=C\COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C24H30O4/c1-16(5-9-20-23(2,3)21-11-13-24(20,4)28-21)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12-",OCHZHKVSLMBEJP,VBKFSLOCSA,N,(-)-Farnesiferol C,OCHZHKVSLMBEJP-VBKFSLOCSA-N
HMDB29491,302.07903818,C16H14O6,COC1=C(C=CC(O)=C1)C1COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C16H14O6/c1-21-13-5-8(17)2-3-10(13)11-7-22-14-6-9(18)4-12(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3",VODZWHSRITUHNI,UHFFFAOYSA,N,Isoferreirin,VODZWHSRITUHNI-UHFFFAOYSA-N
HMDB29492,300.063388116,C16H12O6,COC1=CC=C(C=C1O)C1=C(O)C(=O)C2=CC=C(O)C=C2O1,"InChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)16-15(20)14(19)10-4-3-9(17)7-13(10)22-16/h2-7,17-18,20H,1H3",QVYSSMFEUBQBEU,UHFFFAOYSA,N,"3,3',7-Trihydroxy-4'-methoxyflavone",QVYSSMFEUBQBEU-UHFFFAOYSA-N
HMDB29493,516.126776232,C25H24O12,COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(COC(=O)CC(O)=O)C(O)C(O)C3O)=CC=C2C1=O,"InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)",RDTAGQKYPGLCBK,UHFFFAOYSA,N,Formononetin 7-(6''-malonylglucoside),RDTAGQKYPGLCBK-UHFFFAOYSA-N
HMDB29494,530.142426296,C26H26O12,COC(=O)CC(=O)OCC1OC(OC2=CC=C3C(OC=C(C3=O)C3=CC=C(OC)C=C3)=C2)C(O)C(O)C1O,"InChI=1S/C26H26O12/c1-33-14-5-3-13(4-6-14)17-11-35-18-9-15(7-8-16(18)22(17)29)37-26-25(32)24(31)23(30)19(38-26)12-36-21(28)10-20(27)34-2/h3-9,11,19,23-26,30-32H,10,12H2,1-2H3",DQNRUSGVMUYAHO,UHFFFAOYSA,N,Formononetin 7-(6''-methylmalonylglucoside),DQNRUSGVMUYAHO-UHFFFAOYSA-N
HMDB29495,188.083729628,C12H12O2,CC1=CC2=C(C=C1)C(C)=C(C)C(=O)O2,"InChI=1S/C12H12O2/c1-7-4-5-10-8(2)9(3)12(13)14-11(10)6-7/h4-6H,1-3H3",KAFSSZHADPCOBG,UHFFFAOYSA,N,Trigoforin,KAFSSZHADPCOBG-UHFFFAOYSA-N
HMDB29496,272.05321736,C11H12O8,O[C@H](C(O)=O)[C@](O)(CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C11H12O8/c12-6-2-1-5(3-7(6)13)4-11(19,10(17)18)8(14)9(15)16/h1-3,8,12-14,19H,4H2,(H,15,16)(H,17,18)/t8-,11-/m1/s1",PHFSBARLASYIFM,LDYMZIIASA,N,Fukiic acid,PHFSBARLASYIFM-LDYMZIIASA-N
HMDB29497,300.084517488,C13H16O8,COC(=O)C(O)C(O)(CC1=CC(O)=C(O)C=C1)C(=O)OC,"InChI=1S/C13H16O8/c1-20-11(17)10(16)13(19,12(18)21-2)6-7-3-4-8(14)9(15)5-7/h3-5,10,14-16,19H,6H2,1-2H3",QHQANDJGWIVAAC,UHFFFAOYSA,N,Dimethyl fukiic acid,QHQANDJGWIVAAC-UHFFFAOYSA-N
HMDB29498,286.068867424,C12H14O8,COC1=C(O)C=CC(CC(O)(C(O)C(O)=O)C(O)=O)=C1,"InChI=1S/C12H14O8/c1-20-8-4-6(2-3-7(8)13)5-12(19,11(17)18)9(14)10(15)16/h2-4,9,13-14,19H,5H2,1H3,(H,15,16)(H,17,18)",DDSGTDZCSPMYIM,UHFFFAOYSA,N,3'-Methoxyfukiic acid,DDSGTDZCSPMYIM-UHFFFAOYSA-N
HMDB29499,434.084911418,C20H18O11,OC(=O)C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)(CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+",ACYXDIZTQDLTCB,ZZXKWVIFSA,N,Fukinolic acid,ACYXDIZTQDLTCB-ZZXKWVIFSA-N
HMDB29500,462.07982604,C21H18O12,OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)OC(C1O)C(O)=O,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)",FNTJVYCFNVUBOL,UHFFFAOYSA,N,Kaempferol 3-glucuronide,FNTJVYCFNVUBOL-UHFFFAOYSA-N
HMDB29501,432.10564686,C21H20O10,CC(O)C1OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C(O)C1O,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3",PMWOCSJXZDDAPR,UHFFFAOYSA,N,alpha-Rhamnorobin,PMWOCSJXZDDAPR-UHFFFAOYSA-N
HMDB29502,418.089996796,C20H18O10,OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2",POQICXMTUPVZMX,UHFFFAOYSA,N,Kaempferol 3-alpha-L-arabinofuranoside,POQICXMTUPVZMX-UHFFFAOYSA-N
HMDB29503,824.195249726,C43H36O17,CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C/C2=CC=C(O)C=C2)C(OC(C)=O)C1OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C43H36O17/c1-22(44)54-21-33-39(58-34(51)17-7-24-3-11-27(46)12-4-24)41(55-23(2)45)42(59-35(52)18-8-25-5-13-28(47)14-6-25)43(57-33)60-40-37(53)36-31(50)19-30(49)20-32(36)56-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3/b17-7+,18-8-",CVBQXRRJAJMJSI,UEBQKXMZSA,N,"Kaempferol 3-(3'',6''-diacetyl-2'',4''-di-p-coumaroylrhamnoside)",CVBQXRRJAJMJSI-UEBQKXMZSA-N
HMDB29504,232.109944378,C14H16O3,COC1=CC(=O)OC(CCC2=CC=CC=C2)C1,"InChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3",VOOYTQRREPYRIW,UHFFFAOYSA,N,Marindinin,VOOYTQRREPYRIW-UHFFFAOYSA-N
HMDB29505,420.1572885,C25H24O6,CC(C)=CCC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=C2OC(C)(C)C=CC2=C(O)C=C1,"InChI=1S/C25H24O6/c1-13(2)5-6-16-22(29)21-19(28)11-14(26)12-20(21)30-23(16)17-7-8-18(27)15-9-10-25(3,4)31-24(15)17/h5,7-12,26-28H,6H2,1-4H3",DBUNRZUFILGKHP,UHFFFAOYSA,N,Kuwanon A,DBUNRZUFILGKHP-UHFFFAOYSA-N
HMDB29506,420.1572885,C25H24O6,CC(C)=CCC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=C(O)C2=C(OC(C)(C)C=C2)C=C1,"InChI=1S/C25H24O6/c1-13(2)5-6-17-23(29)21-18(27)11-14(26)12-20(21)30-24(17)16-7-8-19-15(22(16)28)9-10-25(3,4)31-19/h5,7-12,26-28H,6H2,1-4H3",GHYDRKXFHRBWGZ,UHFFFAOYSA,N,Kuwanon B,GHYDRKXFHRBWGZ-UHFFFAOYSA-N
HMDB29507,422.172938564,C25H26O6,CC(C)=CCC1=C2OC(=C(CC=C(C)C)C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1,"InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3",UWQYBLOHTQWSQD,UHFFFAOYSA,N,Mulberrin,UWQYBLOHTQWSQD-UHFFFAOYSA-N
HMDB29508,314.042652674,C16H10O7,CC1=C(C(O)=O)C(O)=CC2=C1C(=O)C1=C(C=C(O)C=C1O)C2=O,"InChI=1S/C16H10O7/c1-5-11-8(4-10(19)12(5)16(22)23)14(20)7-2-6(17)3-9(18)13(7)15(11)21/h2-4,17-19H,1H3,(H,22,23)",DDTNCHWMNZLWKO,UHFFFAOYSA,N,Laccaic acid D,DDTNCHWMNZLWKO-UHFFFAOYSA-N
HMDB29509,380.162373878,C23H24O5,CC(C)=CCC1=C(O)C2=C(OC3=C(C=CC(O)=C3)C2=O)C(CC=C(C)C)=C1O,"InChI=1S/C23H24O5/c1-12(2)5-8-16-20(25)17(9-6-13(3)4)23-19(22(16)27)21(26)15-10-7-14(24)11-18(15)28-23/h5-7,10-11,24-25,27H,8-9H2,1-4H3",HHHZYUKPVCUMDR,UHFFFAOYSA,N,Garcinone A,HHHZYUKPVCUMDR-UHFFFAOYSA-N
HMDB29510,394.141638436,C23H22O6,CC(C)=CCC1=C(O)C=C2OC3=C(C(=O)C2=C1O)C1=C(OC(C)(C)C=C1)C(O)=C3,"InChI=1S/C23H22O6/c1-11(2)5-6-12-14(24)9-17-19(20(12)26)21(27)18-13-7-8-23(3,4)29-22(13)15(25)10-16(18)28-17/h5,7-10,24-26H,6H2,1-4H3",HVXHJNVYRXRHNX,UHFFFAOYSA,N,Garcinone B,HVXHJNVYRXRHNX-UHFFFAOYSA-N
HMDB29511,414.167853186,C23H26O7,CC(C)=CCC1=C(O)C2=C(OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C2=O)C=C1O,"InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3",HLOCLVMUASBDDP,UHFFFAOYSA,N,Garcinone C,HLOCLVMUASBDDP-UHFFFAOYSA-N
HMDB29512,298.084123558,C17H14O5,COC1=C(C)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C=C1,"InChI=1S/C17H14O5/c1-9-13(21-2)8-15-16(17(9)20)12(19)7-14(22-15)10-3-5-11(18)6-4-10/h3-8,18,20H,1-2H3",VQCXCCMCKDSXMQ,UHFFFAOYSA,N,"4',5-Dihydroxy-7-methoxy-6-methylflavone",VQCXCCMCKDSXMQ-UHFFFAOYSA-N
HMDB29513,552.020990532,C22H16O15S,OC1=CC(O)=C2C(=O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(OS(O)(=O)=O)=C1,"InChI=1S/C22H16O15S/c23-9-5-10(24)16-14(6-9)35-20(7-1-13(27)18(29)15(4-7)37-38(32,33)34)21(19(16)30)36-22(31)8-2-11(25)17(28)12(26)3-8/h1-6,20-21,23-29H,(H,32,33,34)",NIOPKCMFVWJHLB,UHFFFAOYSA,N,Myricatin,NIOPKCMFVWJHLB-UHFFFAOYSA-N
HMDB29514,338.151809192,C21H22O4,COC1=C(\C=C/C(=O)C2=CC=C(O)C=C2)C=C(C(O)=C1)C(C)(C)C=C,"InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8-",KAZSKMJFUPEHHW,FLIBITNWSA,N,Licochalcone A,KAZSKMJFUPEHHW-FLIBITNWSA-N
HMDB29515,382.141638436,C22H22O6,COC1=C(CC=C(C)C)C(OC)=C(C(O)=C1)C1=COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C22H22O6/c1-12(2)5-7-15-18(26-3)10-17(24)20(22(15)27-4)16-11-28-19-9-13(23)6-8-14(19)21(16)25/h5-6,8-11,23-24H,7H2,1-4H3",GGWMNTNDTRKETA,UHFFFAOYSA,N,Licoricone,GGWMNTNDTRKETA-UHFFFAOYSA-N
HMDB29516,346.068867424,C17H14O8,COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O,"InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3",IBXCKSUZOFKGSB,UHFFFAOYSA,N,Limocitrin,IBXCKSUZOFKGSB-UHFFFAOYSA-N
HMDB29517,508.121690854,C23H24O13,COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O,"InChI=1S/C23H24O13/c1-32-12-5-8(3-4-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3",XZGXHUKLGCOGII,UHFFFAOYSA,N,Limocitrin 3-glucoside,XZGXHUKLGCOGII-UHFFFAOYSA-N
HMDB29518,218.057908808,C12H10O4,CC(=O)C1=C(O)C2=C(OC(=O)C=C2C)C=C1,"InChI=1S/C12H10O4/c1-6-5-10(14)16-9-4-3-8(7(2)13)12(15)11(6)9/h3-5,15H,1-2H3",UMNMVZFOKSPTJN,UHFFFAOYSA,N,Liqcoumarin,UMNMVZFOKSPTJN-UHFFFAOYSA-N
HMDB29519,256.073558866,C15H12O4,OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2,"InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2",FURUXTVZLHCCNA,UHFFFAOYSA,N,(2S)-Liquiritigenin,FURUXTVZLHCCNA-UHFFFAOYSA-N
HMDB29520,418.126382302,C21H22O9,OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(O)C(O)C1O,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2",DEMKZLAVQYISIA,UHFFFAOYSA,N,Liquiritin,DEMKZLAVQYISIA-UHFFFAOYSA-N
HMDB29521,270.05282343,C15H10O5,OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=CC=C2)=C1,"InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H",VCCRNZQBSJXYJD,UHFFFAOYSA,N,Norizalpinin,VCCRNZQBSJXYJD-UHFFFAOYSA-N
HMDB29522,284.068473494,C16H12O5,COC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=CC=C1,"InChI=1S/C16H12O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,17-18H,1H3",LYISDADPVOHJBJ,UHFFFAOYSA,N,"5,7-Dihydroxy-3-methoxyflavone",LYISDADPVOHJBJ-UHFFFAOYSA-N
HMDB29523,326.121296924,C12H22O10,CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3",VSRVRBXGIRFARR,UHFFFAOYSA,N,Neohesperidose,VSRVRBXGIRFARR-UHFFFAOYSA-N
HMDB29524,328.167459256,C20H24O4,COC1=C(O)C=CC(CCC(O)CC(=O)CCC2=CC=CC=C2)=C1,"InChI=1S/C20H24O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,18,22-23H,7-8,10-11,14H2,1H3",JHJPDDBIHSFERA,UHFFFAOYSA,N,5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone,JHJPDDBIHSFERA-UHFFFAOYSA-N
HMDB29525,342.18310932,C21H26O4,COC(CCC1=CC(OC)=C(O)C=C1)CC(=O)CCC1=CC=CC=C1,"InChI=1S/C21H26O4/c1-24-19(12-9-17-10-13-20(23)21(14-17)25-2)15-18(22)11-8-16-6-4-3-5-7-16/h3-7,10,13-14,19,23H,8-9,11-12,15H2,1-2H3",XYIISUAVSYEQLI,UHFFFAOYSA,N,7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone,XYIISUAVSYEQLI-UHFFFAOYSA-N
HMDB29526,1870.158112072,C82H54O52,OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C(OC4=CC(=CC(O)=C4O)C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(C=C(O)C(O)=C6O)C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12,"InChI=1S/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2",FFZOOOCGCNFHAQ,UHFFFAOYSA,N,Sanguiin H6,FFZOOOCGCNFHAQ-UHFFFAOYSA-N
HMDB29527,286.084123558,C16H14O5,COC1=C(O)C2=C(C=C1)C1OC3=C(C=CC(O)=C3)C1CO2,"InChI=1S/C16H14O5/c1-19-12-5-4-10-15-11(7-20-16(10)14(12)18)9-3-2-8(17)6-13(9)21-15/h2-6,11,15,17-18H,7H2,1H3",QDFJNOVWEADTGJ,UHFFFAOYSA,N,Melilotocarpan B,QDFJNOVWEADTGJ-UHFFFAOYSA-N
HMDB29528,474.116211528,C23H22O11,CC(=O)OCC1OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C(O)C(O)C1O,"InChI=1S/C23H22O11/c1-10(24)31-9-17-20(28)21(29)22(30)23(34-17)33-13-6-15(26)18-16(7-13)32-8-14(19(18)27)11-2-4-12(25)5-3-11/h2-8,17,20-23,25-26,28-30H,9H2,1H3",DXWGBJJLEDQBKS,UHFFFAOYSA,N,6''-O-Acetylgenistin,DXWGBJJLEDQBKS-UHFFFAOYSA-N
HMDB29529,518.106040768,C24H22O13,OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C1O,"InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)",FRAUJUKWSKMNJY,UHFFFAOYSA,N,6''-Malonylgenistin,FRAUJUKWSKMNJY-UHFFFAOYSA-N
HMDB29530,322.120509064,C20H18O4,CC1(C)OC2=C(C=CC(O)=C2C=C1)C1=CC2=CC=C(O)C=C2OC1,"InChI=1S/C20H18O4/c1-20(2)8-7-16-17(22)6-5-15(19(16)24-20)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-10,21-22H,11H2,1-2H3",NGGYSPUAKQMTNP,UHFFFAOYSA,N,Glabrene,NGGYSPUAKQMTNP-UHFFFAOYSA-N
HMDB29531,392.198759384,C25H28O4,CC(C)=CCC1=CC(=CC=C1O)C1CC(=O)C2=C(O1)C(CC=C(C)C)=C(O)C=C2,"InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3",CUFAXDWQDQQKFF,UHFFFAOYSA,N,"(S)-4',7-Dihydroxy-3',8-diprenylflavanone",CUFAXDWQDQQKFF-UHFFFAOYSA-N
HMDB29532,408.193674006,C25H28O5,CC(C)=CCC1=CC(=CC=C1O)C1OC2=C(C=CC(O)=C2CC=C(C)C)C(=O)C1O,"InChI=1S/C25H28O5/c1-14(2)5-7-16-13-17(8-11-20(16)26)24-23(29)22(28)19-10-12-21(27)18(25(19)30-24)9-6-15(3)4/h5-6,8,10-13,23-24,26-27,29H,7,9H2,1-4H3",LAQLCZKPJGMFRM,UHFFFAOYSA,N,3-Hydroxyglabrol,LAQLCZKPJGMFRM-UHFFFAOYSA-N
HMDB29533,336.099773622,C20H16O5,CC1(C)OC2=C(C=C1)C(O)=C(C=C2)C1=COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3",COLMVFWKLOZOOP,UHFFFAOYSA,N,Glabrone,COLMVFWKLOZOOP-UHFFFAOYSA-N
HMDB29534,294.089208936,C18H14O4,CC(=O)C1=C(O)C=CC2=C1OC(C)=C(C2=O)C1=CC=CC=C1,"InChI=1S/C18H14O4/c1-10(19)15-14(20)9-8-13-17(21)16(11(2)22-18(13)15)12-6-4-3-5-7-12/h3-9,20H,1-2H3",KTCOGEGNUCOCON,UHFFFAOYSA,N,Glyzarin,KTCOGEGNUCOCON-UHFFFAOYSA-N
HMDB29535,324.063388116,C18H12O6,OC1=CC=C(\C=C2\OC(=O)C(O)=C(C2=O)C2=CC=C(O)C=C2)C=C1,"InChI=1S/C18H12O6/c19-12-5-1-10(2-6-12)9-14-16(21)15(17(22)18(23)24-14)11-3-7-13(20)8-4-11/h1-9,19-20,22H/b14-9+",PZEIKFYZAURRNF,NTEUORMPSA,N,Grevilline A,PZEIKFYZAURRNF-NTEUORMPSA-N
HMDB29537,594.15847029,C27H30O15,OCC1OC2C(OC3=C2C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C3(O)C2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C27H30O15/c28-7-12-17(33)20(36)23-22(40-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(38)27(39,25(15)42-23)26-21(37)19(35)16(32)13(8-29)41-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-39H,7-8H2/b6-3+",YKDBQWHZEDSTAI,ZZXKWVIFSA,N,Safflor Yellow A,YKDBQWHZEDSTAI-ZZXKWVIFSA-N
HMDB29538,374.07903818,C22H14O6,CC1=CC2=C(C(O)=C1)C(=O)C(=CC2=O)C1=C(C)C=C(O)C2=C1C(=O)C=CC2=O,"InChI=1S/C22H14O6/c1-9-5-11-15(25)8-12(22(28)19(11)16(26)6-9)18-10(2)7-17(27)20-13(23)3-4-14(24)21(18)20/h3-8,26-27H,1-2H3",LZAXNDGRDVWTFX,UHFFFAOYSA,N,Neodiospyrin,LZAXNDGRDVWTFX-UHFFFAOYSA-N
HMDB29539,256.109944378,C16H16O3,COC1=C(C\C=C\C2=CC=C(O)C=C2)C=CC(O)=C1,"InChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+",LOHIEGDVOARVPJ,NSCUHMNNSA,N,Xenognosin A,LOHIEGDVOARVPJ-NSCUHMNNSA-N
HMDB29540,402.13146768,C21H22O8,COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC,"InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3",MRIAQLRQZPPODS,UHFFFAOYSA,N,Nobiletin,MRIAQLRQZPPODS-UHFFFAOYSA-N
HMDB29541,384.120902994,C21H20O7,OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C1=CC=CC=C1,"InChI=1S/C21H20O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2",AWCUZBLYCWUTRL,UHFFFAOYSA,N,(+)-Zeylenol,AWCUZBLYCWUTRL-UHFFFAOYSA-N
HMDB29542,402.167853186,C22H26O7,COC1=CC(CC2C(CC3=CC4=C(OCO4)C=C3)COC2O)=CC(OC)=C1OC,"InChI=1S/C22H26O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16,22-23H,6-7,11-12H2,1-3H3",SOCNBZCAGNYAED,UHFFFAOYSA,N,Clusin,SOCNBZCAGNYAED-UHFFFAOYSA-N
HMDB29543,298.120509064,C18H18O4,OC1=CC=C(C=C1)C1OCC2C1COC2C1=CC=C(O)C=C1,"InChI=1S/C18H18O4/c19-13-5-1-11(2-6-13)17-15-9-22-18(16(15)10-21-17)12-3-7-14(20)8-4-12/h1-8,15-20H,9-10H2",AYMLHOROIXAYPH,UHFFFAOYSA,N,(+)-Ligballinol,AYMLHOROIXAYPH-UHFFFAOYSA-N
HMDB29544,450.116211546,C21H22O11,OCC1OC(OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C(O)=C3)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2",RAFHNDRXYHOLSH,UHFFFAOYSA,N,Miscanthoside,RAFHNDRXYHOLSH-UHFFFAOYSA-N
HMDB29545,388.115817616,C20H20O8,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC,"InChI=1S/C20H20O8/c1-23-13-7-6-10(8-11(13)21)14-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-14/h6-9,21H,1-5H3",XFYYZBJXMSDKCV,UHFFFAOYSA,N,"3'-Hydroxy-4',5,6,7,8-pentamethoxyflavone",XFYYZBJXMSDKCV-UHFFFAOYSA-N
HMDB29546,374.100167552,C19H18O8,COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(O)=C2O,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-13(11)24-2)12-8-10(20)14-15(21)16(22)18(25-3)19(26-4)17(14)27-12/h5-8,21-22H,1-4H3",AREVFHPDZQHBHI,UHFFFAOYSA,N,Pebrellin,AREVFHPDZQHBHI-UHFFFAOYSA-N
HMDB29547,388.115817616,C20H20O8,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC,"InChI=1S/C20H20O8/c1-23-14-8-10(6-7-11(14)21)13-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,21H,1-5H3",NHMZUDOXUOAEOH,UHFFFAOYSA,N,"4'-Hydroxy-3',5,6,7,8-pentamethoxyflavone",NHMZUDOXUOAEOH-UHFFFAOYSA-N
HMDB29548,608.174120354,C28H32O15,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3",GZSOSUNBTXMUFQ,UHFFFAOYSA,N,Diosmin,GZSOSUNBTXMUFQ-UHFFFAOYSA-N
HMDB29549,384.10564686,C17H20O10,COC1=CC2=C(OC(=O)C=C2)C(OC)=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C17H20O10/c1-23-8-5-7-3-4-10(19)26-14(7)16(24-2)15(8)27-17-13(22)12(21)11(20)9(6-18)25-17/h3-5,9,11-13,17-18,20-22H,6H2,1-2H3",IKUQEFGEUOOPGY,UHFFFAOYSA,N,Eleutheroside B1,IKUQEFGEUOOPGY-UHFFFAOYSA-N
HMDB29550,836.52271928,C53H72O8,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C(CC2=C(O)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(O)C2=O)=C(O)C1=O,"InChI=1S/C53H72O8/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-46(54)50(58)44(51(59)47(42)55)33-45-52(60)48(56)43(49(57)53(45)61)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,54,56,59,61H,11-16,19-20,23-24,27-28,31-33H2,1-10H3/b36-21+,37-22+,38-25+,39-26+,40-29+,41-30+",LJHHBOPEDAEYGJ,JULFZRGUSA,N,Amitenone,LJHHBOPEDAEYGJ-JULFZRGUSA-N
HMDB29551,154.172150704,C11H22,CCCCCCCCCC=C,"InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3",DCTOHCCUXLBQMS,UHFFFAOYSA,N,1-Undecene,DCTOHCCUXLBQMS-UHFFFAOYSA-N
HMDB29552,214.193280076,C13H26O2,CCCCCCCCCCC(=O)OCC,"InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3",IAFQYUQIAOWKSB,UHFFFAOYSA,N,Ethyl undecanoate,IAFQYUQIAOWKSB-UHFFFAOYSA-N
HMDB29553,214.099379692,C14H14O2,CC#CC#C\C=C1\OC2(CCCCO2)C=C1,"InChI=1S/C14H14O2/c1-2-3-4-5-8-13-9-11-14(16-13)10-6-7-12-15-14/h8-9,11H,6-7,10,12H2,1H3/b13-8+",RNEORCMLRJNFGE,MDWZMJQESA,N,"(E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene",RNEORCMLRJNFGE-MDWZMJQESA-N
HMDB29554,882.767640996,C57H102O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,54H,4-15,17,20,22-24,26,29,31-53H2,1-3H3/b19-16+,21-18+,28-25+,30-27+",PJHDLKOEJMDTBE,QEDARVKJSA,N,"Glycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-octadecanoate",PJHDLKOEJMDTBE-QEDARVKJSA-N
HMDB29555,101.029919919,C4H7NS,CC1=NCCS1,"InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3",JUIQOABNSLTJSW,UHFFFAOYSA,N,"4,5-Dihydro-2-methylthiazole",JUIQOABNSLTJSW-UHFFFAOYSA-N
HMDB29556,404.125988372,C24H20O6,O=C(OCC(COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2",HIZCTWCPHWUPFU,UHFFFAOYSA,N,Glycerol tribenzoate,HIZCTWCPHWUPFU-UHFFFAOYSA-N
HMDB29557,142.135765198,C9H18O,CC1CC(O)CC(C)(C)C1,"InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3",BRRVXFOKWJKTGG,UHFFFAOYSA,N,Dihydroisophorol,BRRVXFOKWJKTGG-UHFFFAOYSA-N
HMDB29559,224.128668447,C12H18NO3,C[N+](C)(C)CCOC(O)=C1C=CC(=O)C=C1,"InChI=1S/C12H17NO3/c1-13(2,3)8-9-16-12(15)10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3/p+1",BAPAICNRGIBFJT,UHFFFAOYSA,O,(4-Hydroxybenzoyl)choline,BAPAICNRGIBFJT-UHFFFAOYSA-O
HMDB29560,268.154883197,C14H22NO4,COC1=C(OC)C=C(C=C1)C(=O)OCC[N+](C)(C)C,"InChI=1S/C14H22NO4/c1-15(2,3)8-9-19-14(16)11-6-7-12(17-4)13(10-11)18-5/h6-7,10H,8-9H2,1-5H3/q+1",IXSHJXHXZYUCPK,UHFFFAOYSA,N,Hesperaline,IXSHJXHXZYUCPK-UHFFFAOYSA-N
HMDB29561,346.215746852,C22H26N4,CN1CCC23C4NC5=C(C=CC=C5)C2(CCN4C)C1NC1=C3C=CC=C1,"InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3",XSYCDVWYEVUDKQ,UHFFFAOYSA,N,(+)-Calycanthine,XSYCDVWYEVUDKQ-UHFFFAOYSA-N
HMDB29562,294.121571696,C14H18N2O5,NC(CC\C(O)=N\C(CC1=CC=CC=C1)C(O)=O)C(O)=O,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)",XHHOHZPNYFQJKL,UHFFFAOYSA,N,N-gamma-L-Glutamyl-L-phenylalanine,XHHOHZPNYFQJKL-UHFFFAOYSA-N
HMDB29563,138.068079564,C8H10O2,CC(=O)C1=C(C)OC(C)=C1,"InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3",KBSVBCHYXYXDAG,UHFFFAOYSA,N,"3-Acetyl-2,5-dimethylfuran",KBSVBCHYXYXDAG-UHFFFAOYSA-N
HMDB29564,366.179086574,C18H26N2O6,CN(C)CCC1=CNC2=C1C=C(OC1OC(CO)C(O)C(O)C1O)C=C2,"InChI=1S/C18H26N2O6/c1-20(2)6-5-10-8-19-13-4-3-11(7-12(10)13)25-18-17(24)16(23)15(22)14(9-21)26-18/h3-4,7-8,14-19,21-24H,5-6,9H2,1-2H3",GNUFCIHWKPAEBF,UHFFFAOYSA,N,Bufotenine O-glucoside,GNUFCIHWKPAEBF-UHFFFAOYSA-N
HMDB29565,349.179026995,C21H23N3O2,CC(C)=CC1N2C(CC3=C1NC1=C3C=CC=C1)C(=O)N1CCCC1C2=O,"InChI=1S/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3",LQXCSIKDOISJTI,UHFFFAOYSA,N,Demethoxyfumitremorgin C,LQXCSIKDOISJTI-UHFFFAOYSA-N
HMDB29566,316.167459256,C19H24O4,CC(=C)C1CCC(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)CC1,"InChI=1S/C19H24O4/c1-13(2)16-7-3-15(4-8-16)12-23-19(22)10-6-14-5-9-17(20)18(21)11-14/h5-6,9-11,15-16,20-21H,1,3-4,7-8,12H2,2H3/b10-6+",SSVXLIRLGPMWSL,UXBLZVDNSA,N,Isopulegone caffeate,SSVXLIRLGPMWSL-UXBLZVDNSA-N
HMDB29567,263.188529049,C16H25NO2,C\C=C/C=C/C=C\CC\C=C\C(\O)=N\CC(C)(C)O,"InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4-,7-6+,9-8-,13-12+",LHFKHAVGGJJQFF,JRNWQWJGSA,N,Hydroxy-alpha-sanshool,LHFKHAVGGJJQFF-JRNWQWJGSA-N
HMDB29568,243.231062565,C13H29N3O,CCCCCC(=O)N(CCCN)CCCCN,"InChI=1S/C13H29N3O/c1-2-3-4-8-13(17)16(12-7-10-15)11-6-5-9-14/h2-12,14-15H2,1H3",RIYFDCXURUKYPE,UHFFFAOYSA,N,N5-Hexanoylspermidine,RIYFDCXURUKYPE-UHFFFAOYSA-N
HMDB29569,178.084991956,C8H18S2,CCCCSSCCCC,"InChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3",CUDSBWGCGSUXDB,UHFFFAOYSA,N,Dibutyl disulfide,CUDSBWGCGSUXDB-UHFFFAOYSA-N
HMDB29570,119.934511824,CCl2F2,FC(F)(Cl)Cl,"InChI=1S/CCl2F2/c2-1(3,4)5",PXBRQCKWGAHEHS,UHFFFAOYSA,N,Dichlorodifluoromethane,PXBRQCKWGAHEHS-UHFFFAOYSA-N
HMDB29571,97.969005542,C2H4Cl2,ClCCCl,InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2,WSLDOOZREJYCGB,UHFFFAOYSA,N,"1,2-Dichloroethane",WSLDOOZREJYCGB-UHFFFAOYSA-N
HMDB29572,122.0223917,C4H10S2,CCSSCC,"InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3",CETBSQOFQKLHHZ,UHFFFAOYSA,N,Diethyl disulfide,CETBSQOFQKLHHZ-UHFFFAOYSA-N
HMDB29573,160.073558872,C7H12O4,CCOC(=O)CC(=O)OCC,"InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3",IYXGSMUGOJNHAZ,UHFFFAOYSA,N,Diethyl malonate,IYXGSMUGOJNHAZ-UHFFFAOYSA-N
HMDB29574,128.120115134,C8H16O,CCC1CCC(CC)O1,"InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3",YKWLEIXVUHRKEF,UHFFFAOYSA,N,"2,5-Diethyltetrahydrofuran",YKWLEIXVUHRKEF-UHFFFAOYSA-N
HMDB29575,248.104859,C14H16O4,COC1=CC(=O)OC(CCC2=CC=CC=C2)C1O,"InChI=1S/C14H16O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3",VJCNEDVMYQCMBK,UHFFFAOYSA,N,"(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one",VJCNEDVMYQCMBK-UHFFFAOYSA-N
HMDB29576,134.057908808,C5H10O4,CC(O)C(C)(O)C(O)=O,"InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)",AOWPAWLEXIYETE,UHFFFAOYSA,N,"2,3-Dihydroxy-2-methylbutanoic acid",AOWPAWLEXIYETE-UHFFFAOYSA-N
HMDB29577,432.10564686,C21H20O10,OCC1OC(OC2=CC=C(C=C2)C2=COC3=CC(O)=C(O)C=C3C2=O)C(O)C(O)C1O,"InChI=1S/C21H20O10/c22-7-16-18(26)19(27)20(28)21(31-16)30-10-3-1-9(2-4-10)12-8-29-15-6-14(24)13(23)5-11(15)17(12)25/h1-6,8,16,18-24,26-28H,7H2",ZWSNUPOSLDAWJS,UHFFFAOYSA,N,6-Hydroxydaidzein 4'-glucoside,ZWSNUPOSLDAWJS-UHFFFAOYSA-N
HMDB29578,150.053691828,C6H14S2,CC(C)SSC(C)C,"InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3",LZAZXBXPKRULLB,UHFFFAOYSA,N,Diisopropyl disulfide,LZAZXBXPKRULLB-UHFFFAOYSA-N
HMDB29579,118.081621138,C6H14S,CC(C)SC(C)C,"InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3",XYWDPYKBIRQXQS,UHFFFAOYSA,N,Diisopropyl sulfide,XYWDPYKBIRQXQS-UHFFFAOYSA-N
HMDB29580,90.031694058,C3H6O3,COC(=O)OC,InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3,IEJIGPNLZYLLBP,UHFFFAOYSA,N,Dimethyl carbonate,IEJIGPNLZYLLBP-UHFFFAOYSA-N
HMDB29581,112.0524295,C6H8O2,C\C=C\C=C\C(O)=O,"InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+",WSWCOQWTEOXDQX,MQQKCMAXSA,N,"(2E,4E)-2,4-Hexadienoic acid",WSWCOQWTEOXDQX-MQQKCMAXSA-N
HMDB29582,126.068079564,C7H10O2,COC(=O)\C=C\C=C\C,"InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+",KWKVAGQCDSHWFK,VNKDHWASSA,N,Methyl sorbate,KWKVAGQCDSHWFK-VNKDHWASSA-N
HMDB29583,334.250794954,C21H34O3,CC(=O)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3",FGDFFHLIMDMCJI,UHFFFAOYSA,N,Lycopersiconol,FGDFFHLIMDMCJI-UHFFFAOYSA-N
HMDB29584,282.05282343,C16H10O5,COC1=CC2=C(C=C1)C1=C(C3=C(O1)C=C(O)C=C3)C(=O)O2,"InChI=1S/C16H10O5/c1-19-9-3-5-11-13(7-9)21-16(18)14-10-4-2-8(17)6-12(10)20-15(11)14/h2-7,17H,1H3",YQBVKPREVBFWSA,UHFFFAOYSA,N,3-O-Methylcoumestrol,YQBVKPREVBFWSA-UHFFFAOYSA-N
HMDB29585,198.161979948,C12H22O2,COC(=O)CCCCCCCCC=C,"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3",KISVAASFGZJBCY,UHFFFAOYSA,N,Methyl 10-undecenoate,KISVAASFGZJBCY-UHFFFAOYSA-N
HMDB29586,269.308250253,C18H39N,CCCCCCCCCCCCCCCCCCN,"InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3",REYJJPSVUYRZGE,UHFFFAOYSA,N,Octadecylamine,REYJJPSVUYRZGE-UHFFFAOYSA-N
HMDB29587,468.433116414,C33H56O,CC(CC(C)C(C)(C)C(C)=C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C33H56O/c1-21(2)29(5,6)23(4)20-22(3)24-14-18-33(11)26-12-13-27-30(7,8)28(34)16-17-31(27,9)25(26)15-19-32(24,33)10/h15,22-24,26-28,34H,1,12-14,16-20H2,2-11H3",CGINCLVPUDBIKV,UHFFFAOYSA,N,Lansiol,CGINCLVPUDBIKV-UHFFFAOYSA-N
HMDB29592,218.07903818,C9H14O6,CC(=O)OCC(COC(C)=O)OC(C)=O,"InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3",URAYPUMNDPQOKB,UHFFFAOYSA,N,Triacetin,URAYPUMNDPQOKB-UHFFFAOYSA-N
HMDB29593,129.914383153,C2HCl3,ClC=C(Cl)Cl,InChI=1S/C2HCl3/c3-1-2(4)5/h1H,XSTXAVWGXDQKEL,UHFFFAOYSA,N,Trichloroethylene,XSTXAVWGXDQKEL-UHFFFAOYSA-N
HMDB29594,28.031300128,C2H4,C=C,InChI=1S/C2H4/c1-2/h1-2H2,VGGSQFUCUMXWEO,UHFFFAOYSA,N,Ethylene,VGGSQFUCUMXWEO-UHFFFAOYSA-N
HMDB29595,128.15650064,C9H20,CCCCCCCCC,"InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3",BKIMMITUMNQMOS,UHFFFAOYSA,N,Nonane,BKIMMITUMNQMOS-UHFFFAOYSA-N
HMDB29596,117.914383153,CHCl3,ClC(Cl)Cl,InChI=1S/CHCl3/c2-1(3)4/h1H,HEDRZPFGACZZDS,UHFFFAOYSA,N,Chloroform,HEDRZPFGACZZDS-UHFFFAOYSA-N
HMDB29597,84.093900384,C6H12,C1CCCCC1,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,XDTMQSROBMDMFD,UHFFFAOYSA,N,Cyclohexane,XDTMQSROBMDMFD-UHFFFAOYSA-N
HMDB29598,140.106196404,C6H12N4,C1N2CN3CN1CN(C2)C3,InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2,VKYKSIONXSXAKP,UHFFFAOYSA,N,Metenamine,VKYKSIONXSXAKP-UHFFFAOYSA-N
HMDB29599,100.0524295,C5H8O2,O=CCCCC=O,"InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2",SXRSQZLOMIGNAQ,UHFFFAOYSA,N,Glutaral,SXRSQZLOMIGNAQ-UHFFFAOYSA-N
HMDB29600,86.109550448,C6H14,CCCCCC,"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3",VLKZOEOYAKHREP,UHFFFAOYSA,N,Hexane,VLKZOEOYAKHREP-UHFFFAOYSA-N
HMDB29601,366.095082174,C17H18O9,OCC1OC(OC2=C(\C=C\C(O)=O)C=C3C=COC3=C2)C(O)C(O)C1O,"InChI=1S/C17H18O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h1-6,12,14-18,21-23H,7H2,(H,19,20)/b2-1+",XRLPSAYLYDMYGX,OWOJBTEDSA,N,Furocoumarinic acid glucoside,XRLPSAYLYDMYGX-OWOJBTEDSA-N
HMDB29602,146.073164942,C10H10O,O=C\C=C\CC1=CC=CC=C1,"InChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-7,9H,8H2/b5-4+",WLNLUFZWBZXINT,SNAWJCMRSA,N,4-Phenyl-2-butenal,WLNLUFZWBZXINT-SNAWJCMRSA-N
HMDB29603,72.093900384,C5H12,CCCCC,"InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3",OFBQJSOFQDEBGM,UHFFFAOYSA,N,Pentane,OFBQJSOFQDEBGM-UHFFFAOYSA-N
HMDB29604,254.188194698,C15H26O3,CC1C(O)C(O)CC(CO)C11CCC(C1)C(C)=C,"InChI=1S/C15H26O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h10-14,16-18H,1,4-8H2,2-3H3",NPIIWZCGVADPIE,UHFFFAOYSA,N,Lubiminol,NPIIWZCGVADPIE-UHFFFAOYSA-N
HMDB29605,424.136946988,C20H24O10,CC1C(=O)OC2CC34C5OC(=O)C3(OC3OC(=O)C(O)C43C(C5O)C(C)(C)C)C12O,"InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3",LMEHVEUFNRJAAV,UHFFFAOYSA,N,Ginkgolide J,LMEHVEUFNRJAAV-UHFFFAOYSA-N
HMDB29606,634.408083454,C36H58O9,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C36H58O9/c1-31(2)12-14-36(30(42)43)15-13-34(6)19(20(36)16-31)8-9-24-33(5)17-21(38)28(32(3,4)23(33)10-11-35(24,34)7)45-29-27(41)26(40)25(39)22(18-37)44-29/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)",MCHSLZNQYJXEPC,UHFFFAOYSA,N,Maslinic acid 3-O-b-D-glucoside,MCHSLZNQYJXEPC-UHFFFAOYSA-N
HMDB29607,446.375995466,C29H50O3,CCC(CC(O)C(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H50O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-27,30-32H,7-15H2,1-6H3",NZSAHCYFUVNLPX,UHFFFAOYSA,N,Stigmastentriol,NZSAHCYFUVNLPX-UHFFFAOYSA-N
HMDB29608,100.0524295,C5H8O2,C\C=C(\C)C(O)=O,"InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-",UIERETOOQGIECD,ARJAWSKDSA,N,Angelic acid,UIERETOOQGIECD-ARJAWSKDSA-N
HMDB29609,98.036779436,C5H6O2,CC1OC(=O)C=C1,"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3",BGLUXFNVVSVEET,UHFFFAOYSA,N,5-Methyl-2(3H)-furanone,BGLUXFNVVSVEET-UHFFFAOYSA-N
HMDB29610,156.042258744,C7H8O4,OC\C=C1\OC(=O)C(CO)=C1,"InChI=1S/C7H8O4/c8-2-1-6-3-5(4-9)7(10)11-6/h1,3,8-9H,2,4H2/b6-1+",LYJDVGNTDYPSTE,LZCJLJQNSA,N,Ascladiol,LYJDVGNTDYPSTE-LZCJLJQNSA-N
HMDB29611,149.980920816,C4H6O2S2,OC(=O)C1CSSC1,"InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)",AYGMEFRECNWRJC,UHFFFAOYSA,N,Asparagusic acid,AYGMEFRECNWRJC-UHFFFAOYSA-N
HMDB29612,165.975835438,C4H6O3S2,OC(=O)[C@@H]1CSS(=O)C1,"InChI=1S/C4H6O3S2/c5-4(6)3-1-8-9(7)2-3/h3H,1-2H2,(H,5,6)/t3-,9?/m1/s1",WKCDMZVXQHXDPX,ZMQIUWNVSA,N,Asparagusic acid syn-S-oxide,WKCDMZVXQHXDPX-ZMQIUWNVSA-N
HMDB29613,139.099714043,C8H13NO,O=C1CC2CCCC(C1)N2,"InChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2",JIYPUEZSSJAXBO,UHFFFAOYSA,N,9-Azabicyclo[3.3.1]nonan-3-one,JIYPUEZSSJAXBO-UHFFFAOYSA-N
HMDB29614,304.072057808,C13H21O2PS2,CCCCOP(=O)(SCC)SCC1=CC=CC=C1,"InChI=1S/C13H21O2PS2/c1-3-5-11-15-16(14,17-4-2)18-12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3",WRIYPTGFYKBSFU,UHFFFAOYSA,N,(±)-Conen,WRIYPTGFYKBSFU-UHFFFAOYSA-N
HMDB29615,101.047678473,C4H7NO2,OC(=O)C1CCN1,"InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)",IADUEWIQBXOCDZ,UHFFFAOYSA,N,(S)-2-Azetidinecarboxylic acid,IADUEWIQBXOCDZ-UHFFFAOYSA-N
HMDB29616,116.033425392,C2H4N4O2,OC(=N)\N=N\C(O)=N,"InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+",XOZUGNYVDXMRKW,AATRIKPKSA,N,Diazenedicarboxamide,XOZUGNYVDXMRKW-AATRIKPKSA-N
HMDB29617,446.121296924,C22H22O10,COC1=C(OC2OC(CO)C(O)C(O)C2O)C(C)=CC2=C1C(=O)C1=C(C=CC=C1O)C2=O,"InChI=1S/C22H22O10/c1-8-6-10-14(17(27)13-9(15(10)25)4-3-5-11(13)24)21(30-2)20(8)32-22-19(29)18(28)16(26)12(7-23)31-22/h3-6,12,16,18-19,22-24,26,28-29H,7H2,1-2H3",JMDQOFZFOJHOMU,UHFFFAOYSA,N,Glucoobtusifolin,JMDQOFZFOJHOMU-UHFFFAOYSA-N
HMDB29618,504.272318256,C28H40O8,CC(O)(CC(O)=O)CC(=O)OCC1=CC(=O)C2(CC3C(=C)CCC4C(C)(C)CCCC34C)OC2C1O,"InChI=1S/C28H40O8/c1-16-7-8-19-25(2,3)9-6-10-27(19,5)18(16)12-28-20(29)11-17(23(33)24(28)36-28)15-35-22(32)14-26(4,34)13-21(30)31/h11,18-19,23-24,33-34H,1,6-10,12-15H2,2-5H3,(H,30,31)",QWFKAUWCRFDRMZ,UHFFFAOYSA,N,Macrophorin D,QWFKAUWCRFDRMZ-UHFFFAOYSA-N
HMDB29619,282.095082174,C10H18O9,OC1COC(OC2C(O)COC(O)C2O)C(O)C1O,"InChI=1S/C10H18O9/c11-3-1-18-10(6(14)5(3)13)19-8-4(12)2-17-9(16)7(8)15/h3-16H,1-2H2",FVPQAMUWCNJRQW,UHFFFAOYSA,N,Arabinopyranobiose,FVPQAMUWCNJRQW-UHFFFAOYSA-N
HMDB29620,302.042652674,C15H10O7,OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H",ARSRJFRKVXALTF,UHFFFAOYSA,N,Tricetin,ARSRJFRKVXALTF-UHFFFAOYSA-N
HMDB29621,634.408083454,C36H58O9,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-35(23,7)34(19,6)14-15-36(20,17-25(31)39)30(43)45-29-28(42)27(41)26(40)21(18-37)44-29/h8,20-29,37-42H,9-18H2,1-7H3",CEMJRABGGWOEJQ,UHFFFAOYSA,N,Lucyoside Q,CEMJRABGGWOEJQ-UHFFFAOYSA-N
HMDB29622,396.214803378,C21H32O7,CC1C(CCC2=CC(=O)C(CC12C)=C(C)C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H32O7/c1-10(2)13-8-21(4)11(3)15(6-5-12(21)7-14(13)23)27-20-19(26)18(25)17(24)16(9-22)28-20/h7,11,15-20,22,24-26H,5-6,8-9H2,1-4H3",AVZCSGMWWXMJEA,UHFFFAOYSA,N,Isopetasoside,AVZCSGMWWXMJEA-UHFFFAOYSA-N
HMDB29623,740.434692134,C39H64O13,CC1C2C(CC3C4CC(OC5OC(C)C(O)C(OC6OC(C)C(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC23C)OC11OCC(C)CC1O,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3",DRLHUZGVDNWMNU,UHFFFAOYSA,N,Torvoside C,DRLHUZGVDNWMNU-UHFFFAOYSA-N
HMDB29624,726.41904207,C38H62O13,CC1C2C(CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC23C)OC11OCC(C)CC1O,"InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3",FOCICMJCJFCWOL,UHFFFAOYSA,N,Torvoside D,FOCICMJCJFCWOL-UHFFFAOYSA-N
HMDB29625,622.350568576,C37H50O8,CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(CCC34C)C(C)(C)C(OC(=O)C3=CC(O)=C(O)C=C3)C5C(O)=O)C12)C(O)=O,"InChI=1S/C37H50O8/c1-19(2)21-12-15-37(32(43)44)17-16-34(5)22(27(21)37)9-11-26-35(34,6)14-13-25-33(3,4)29(28(30(40)41)36(25,26)7)45-31(42)20-8-10-23(38)24(39)18-20/h8,10,18,21-22,25-29,38-39H,1,9,11-17H2,2-7H3,(H,40,41)(H,43,44)",FGJNOXMHWXEMHU,UHFFFAOYSA,N,3-O-Protocatechuoylceanothic acid,FGJNOXMHWXEMHU-UHFFFAOYSA-N
HMDB29626,572.225761994,C30H36O11,CCOC12CC=CC(=O)C1(C)C1CCC3(O)C(=O)OC4(C)C5CC6(C)C7C(=O)C(OC347)(OCC6C(=O)O5)C1CC2O,"InChI=1S/C30H36O11/c1-5-37-28-9-6-7-17(31)25(28,3)14-8-10-27(36)23(35)40-26(4)19-12-24(2)16(22(34)39-19)13-38-29(15(14)11-18(28)32)21(33)20(24)30(26,27)41-29/h6-7,14-16,18-20,32,36H,5,8-13H2,1-4H3",GCRPDPKXRPYCEV,UHFFFAOYSA,N,"5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B",GCRPDPKXRPYCEV-UHFFFAOYSA-N
HMDB29627,243.901625578,C7H4Cl4O,COC1=C(Cl)C=C(Cl)C(Cl)=C1Cl,"InChI=1S/C7H4Cl4O/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3",ITXDBGLYYSJNPK,UHFFFAOYSA,N,"1,2,3,5-Tetrachloro-4-methoxybenzene",ITXDBGLYYSJNPK-UHFFFAOYSA-N
HMDB29628,301.87071938,C8H2Cl4O4,OC(=O)C1=C(Cl)C(Cl)=C(C(O)=O)C(Cl)=C1Cl,"InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)",KZCBXHSWMMIEQU,UHFFFAOYSA,N,Chlorthal,KZCBXHSWMMIEQU-UHFFFAOYSA-N
HMDB29629,712.127564092,C33H28O18,OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC1COC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C=C(O)C(C(=O)C2=CC=C(O)C=C2)=C1O,"InChI=1S/C33H28O18/c34-14-3-1-11(2-4-14)24(41)22-15(35)9-16(36)23(28(22)45)30-31(51-33(48)13-7-19(39)26(43)20(40)8-13)29(46)27(44)21(50-30)10-49-32(47)12-5-17(37)25(42)18(38)6-12/h1-9,21,27,29-31,34-40,42-46H,10H2",KSLXEOVMWLSIDW,UHFFFAOYSA,N,"2'',6''-Digalloyliriflophenone 3-C-glucoside",KSLXEOVMWLSIDW-UHFFFAOYSA-N
HMDB29630,864.138522708,C40H32O22,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C=C(O)C(C(=O)C2=CC=C(O)C=C2)=C1O,"InChI=1S/C40H32O22/c41-17-3-1-13(2-4-17)29(50)27-18(42)11-19(43)28(34(27)55)35-37(62-40(58)16-9-24(48)32(53)25(49)10-16)36(61-39(57)15-7-22(46)31(52)23(47)8-15)33(54)26(60-35)12-59-38(56)14-5-20(44)30(51)21(45)6-14/h1-11,26,33,35-37,41-49,51-55H,12H2",VSDICXYKDIGSQV,UHFFFAOYSA,N,"2'',3'',6''-Trigalloyliriflophenone 3-C-glucoside",VSDICXYKDIGSQV-UHFFFAOYSA-N
HMDB29631,272.068473494,C15H12O5,OC1=CC=C(\C=C\C(=O)C2=C(O)C=C(O)C=C2O)C=C1,"InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+",YQHMWTPYORBCMF,ZZXKWVIFSA,N,Chalconaringenin,YQHMWTPYORBCMF-ZZXKWVIFSA-N
HMDB29632,268.276615774,C18H36O,CCCCCCCC\C=C\CCCCCCCCO,"InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9+",ALSTYHKOOCGGFT,MDZDMXLPSA,N,Oleyl alcohol,ALSTYHKOOCGGFT-MDZDMXLPSA-N
HMDB29633,124.034670946,C7H8S,SCC1=CC=CC=C1,"InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",UENWRTRMUIOCKN,UHFFFAOYSA,N,Phenylmethanethiol,UENWRTRMUIOCKN-UHFFFAOYSA-N
HMDB29634,124.034670946,C7H8S,CC1=C(S)C=CC=C1,"InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3",LXUNZSDDXMPKLP,UHFFFAOYSA,N,2-Methylbenzenethiol,LXUNZSDDXMPKLP-UHFFFAOYSA-N
HMDB29635,136.0524295,C8H8O2,CC1=CC=C(C=C1)C(O)=O,"InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)",LPNBBFKOUUSUDB,UHFFFAOYSA,N,4-Methylbenzoic acid,LPNBBFKOUUSUDB-UHFFFAOYSA-N
HMDB29636,120.057514878,C8H8O,CC1=CC=CC=C1C=O,"InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3",BTFQKIATRPGRBS,UHFFFAOYSA,N,2-Methylbenzaldehyde,BTFQKIATRPGRBS-UHFFFAOYSA-N
HMDB29637,120.057514878,C8H8O,CC1=CC(C=O)=CC=C1,"InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3",OVWYEQOVUDKZNU,UHFFFAOYSA,N,3-Methylbenzaldehyde,OVWYEQOVUDKZNU-UHFFFAOYSA-N
HMDB29638,120.057514878,C8H8O,CC1=CC=C(C=O)C=C1,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",FXLOVSHXALFLKQ,UHFFFAOYSA,N,4-Methylbenzaldehyde,FXLOVSHXALFLKQ-UHFFFAOYSA-N
HMDB29639,134.073164942,C9H10O,CC1=CC=C(CC=O)C=C1,"InChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3",CIXAYNMKFFQEFU,UHFFFAOYSA,N,(4-Methylphenyl)acetaldehyde,CIXAYNMKFFQEFU-UHFFFAOYSA-N
HMDB29640,146.073164942,C10H10O,CC1=CC=C(\C=C\C=O)C=C1,"InChI=1S/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h2-8H,1H3/b3-2+",DKOUYOVAEBQFHU,NSCUHMNNSA,N,3-(4-Methylphenyl)-2-propenal,DKOUYOVAEBQFHU-NSCUHMNNSA-N
HMDB29641,132.093900384,C10H12,CC(=C)C1=CC=C(C)C=C1,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",MMSLOZQEMPDGPI,UHFFFAOYSA,N,"p-Mentha-1,3,5,8-tetraene",MMSLOZQEMPDGPI-UHFFFAOYSA-N
HMDB29642,327.773402659,C6H3Br3O,OC1=C(Br)C=C(Br)C=C1Br,"InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",BSWWXRFVMJHFBN,UHFFFAOYSA,N,"2,4,6-Tribromophenol",BSWWXRFVMJHFBN-UHFFFAOYSA-N
HMDB29643,209.940597903,C7H5Cl3O,COC1=C(Cl)C=C(Cl)C=C1Cl,"InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3",WCVOGSZTONGSQY,UHFFFAOYSA,N,"1,3,5-Trichloro-2-methoxybenzene",WCVOGSZTONGSQY-UHFFFAOYSA-N
HMDB29644,168.042258744,C8H8O4,CC(=O)C1=C(O)C=C(O)C=C1O,"InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3",XLEYFDVVXLMULC,UHFFFAOYSA,N,"2',4',6'-Trihydroxyacetophenone",XLEYFDVVXLMULC-UHFFFAOYSA-N
HMDB29645,196.073558872,C10H12O4,COC1=CC(O)=C(C(C)=O)C(OC)=C1,"InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3",FBUBVLUPUDBFME,UHFFFAOYSA,N,Xanthoxylin,FBUBVLUPUDBFME-UHFFFAOYSA-N
HMDB29646,182.057908808,C9H10O4,COC1=CC(O)=C(C(C)=O)C(O)=C1,"InChI=1S/C9H10O4/c1-5(10)9-7(11)3-6(13-2)4-8(9)12/h3-4,11-12H,1-2H3",GKSGTWUNURZTKD,UHFFFAOYSA,N,"2',6'-Dihydroxy-4'-methoxyacetophenone",GKSGTWUNURZTKD-UHFFFAOYSA-N
HMDB29647,344.110732238,C15H20O9,COC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(C(C)=O)C(O)=C1,"InChI=1S/C15H20O9/c1-6(17)11-8(18)3-7(22-2)4-9(11)23-15-14(21)13(20)12(19)10(5-16)24-15/h3-4,10,12-16,18-21H,5H2,1-2H3",XERRGONJPVYTDB,UHFFFAOYSA,N,Domesticoside,XERRGONJPVYTDB-UHFFFAOYSA-N
HMDB29648,196.073558872,C10H12O4,COC1=CC(OC)=C(OC)C=C1C=O,"InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3",IAJBQAYHSQIQRE,UHFFFAOYSA,N,"2,4,5-Trimethoxybenzaldehyde",IAJBQAYHSQIQRE-UHFFFAOYSA-N
HMDB29649,170.021523302,C7H6O5,OC(=O)C1=C(O)C=C(O)C=C1O,"InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)",IBHWREHFNDMRPR,UHFFFAOYSA,N,"2,4,6-Trihydroxybenzoic acid",IBHWREHFNDMRPR-UHFFFAOYSA-N
HMDB29650,184.037173366,C8H8O5,COC(=O)C1=C(O)C=C(O)C=C1O,"InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3",AQDIJIAUYXOCGX,UHFFFAOYSA,N,"Methyl 2,4,6-trihydroxybenzoate",AQDIJIAUYXOCGX-UHFFFAOYSA-N
HMDB29651,358.126382302,C16H22O9,CC(C)C(=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C=C1O,"InChI=1S/C16H22O9/c1-6(2)12(20)11-8(19)3-7(18)4-9(11)24-16-15(23)14(22)13(21)10(5-17)25-16/h3-4,6,10,13-19,21-23H,5H2,1-2H3",PSBKCHXAPMSDFN,UHFFFAOYSA,N,Phlorisobutyrophenone 2-glucoside,PSBKCHXAPMSDFN-UHFFFAOYSA-N
HMDB29652,150.104465071,C10H14O,CC1=CC=C(C=C1)C(C)(C)O,"InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3",XLPDVYGDNRIQFV,UHFFFAOYSA,N,2-(4-Methylphenyl)-2-propanol,XLPDVYGDNRIQFV-UHFFFAOYSA-N
HMDB29653,164.120115134,C11H16O,COC(C)(C)C1=CC=C(C)C=C1,"InChI=1S/C11H16O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5-8H,1-4H3",YCCVSCJOXISVEI,UHFFFAOYSA,N,1-(1-Methoxy-1-methylethyl)-4-methylbenzene,YCCVSCJOXISVEI-UHFFFAOYSA-N
HMDB29654,618.428424966,C40H58O5,C\C(\C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1(O)C(C)(C)CC(O)CC1(C)O,"InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-23-39(44)35(5,6)25-33(41)26-37(39,9)42)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)27-34(45-40)28-38(40,10)43/h11-24,33-34,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",VIOJJXRZEGPFSJ,DKLMTRRASA,N,"3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol",VIOJJXRZEGPFSJ-DKLMTRRASA-N
HMDB29655,464.241018128,C25H36O8,CC(C)C(=O)CCC1(C)CCC2(C)C3OC4OCC5(O)C(O)C(=CCC2C1=O)C3C4(O)C5O,"InChI=1S/C25H36O8/c1-12(2)15(26)7-8-22(3)9-10-23(4)14(18(22)28)6-5-13-16-19(23)33-21-25(16,31)20(29)24(30,11-32-21)17(13)27/h5,12,14,16-17,19-21,27,29-31H,6-11H2,1-4H3",HVLLJUVTXKLMKW,UHFFFAOYSA,N,Erinacine G,HVLLJUVTXKLMKW-UHFFFAOYSA-N
HMDB29656,432.251188884,C25H36O6,CC(C)C1=C2C3CC=C4C5C(OC6OCC(O)(C4O)C(O)C56O)C3(C)CCC2(C)CC1,"InChI=1S/C25H36O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-21,26-29H,6-11H2,1-4H3",YUCYEVHMFBEBSC,UHFFFAOYSA,N,Erinacine E,YUCYEVHMFBEBSC-UHFFFAOYSA-N
HMDB29657,152.047344122,C8H8O3,OCC(=O)C1=CC=C(O)C=C1,"InChI=1S/C8H8O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,9-10H,5H2",KLAKIAVEMQMVBT,UHFFFAOYSA,N,"2,4'-Dihydroxyacetophenone",KLAKIAVEMQMVBT-UHFFFAOYSA-N
HMDB29658,152.047344122,C8H8O3,CC(=O)C1=C(O)C(O)=CC=C1,"InChI=1S/C8H8O3/c1-5(9)6-3-2-4-7(10)8(6)11/h2-4,10-11H,1H3",HEJLFBLJYFSKCE,UHFFFAOYSA,N,"2',3'-Dihydroxyacetophenone",HEJLFBLJYFSKCE-UHFFFAOYSA-N
HMDB29659,152.047344122,C8H8O3,CC(=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3",SULYEHHGGXARJS,UHFFFAOYSA,N,"2',4'-Dihydroxyacetophenone",SULYEHHGGXARJS-UHFFFAOYSA-N
HMDB29660,152.047344122,C8H8O3,CC(=O)C1=C(O)C=CC=C1O,"InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3",YPTJKHVBDCRKNF,UHFFFAOYSA,N,"2',6'-Dihydroxyacetophenone",YPTJKHVBDCRKNF-UHFFFAOYSA-N
HMDB29661,152.047344122,C8H8O3,CC(=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3",UCQUAMAQHHEXGD,UHFFFAOYSA,N,"3',4'-Dihydroxyacetophenone",UCQUAMAQHHEXGD-UHFFFAOYSA-N
HMDB29662,152.047344122,C8H8O3,CC(=O)C1=CC(O)=CC(O)=C1,"InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3",WQXWIKCZNIGMAP,UHFFFAOYSA,N,"3',5'-Dihydroxyacetophenone",WQXWIKCZNIGMAP-UHFFFAOYSA-N
HMDB29663,194.057908808,C10H10O4,COC1=C(OC(C)=O)C=CC(C=O)=C1,"InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3",PZSJOBKRSVRODF,UHFFFAOYSA,N,Vanillin acetate,PZSJOBKRSVRODF-UHFFFAOYSA-N
HMDB29664,314.100167552,C14H18O8,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(C=O)=C1,"InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3",LPRNQMUKVDHCFX,UHFFFAOYSA,N,Vanilloside,LPRNQMUKVDHCFX-UHFFFAOYSA-N
HMDB29665,166.062994186,C9H10O3,CCOC1=C(O)C=CC(C=O)=C1,"InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3",CBOQJANXLMLOSS,UHFFFAOYSA,N,Ethyl vanillin,CBOQJANXLMLOSS-UHFFFAOYSA-N
HMDB29666,154.026608673,C7H6O4,OC(=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)",UIAFKZKHHVMJGS,UHFFFAOYSA,N,"2,4-Dihydroxybenzoic acid",UIAFKZKHHVMJGS-UHFFFAOYSA-N
HMDB29667,136.088815006,C9H12O,CC1=C(C)C(O)=C(C)C=C1,"InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3",QQOMQLYQAXGHSU,UHFFFAOYSA,N,"2,3,6-Trimethylphenol",QQOMQLYQAXGHSU-UHFFFAOYSA-N
HMDB29668,208.146329884,C13H20O2,CC1C(O)CCC2CC(=CC12C)C(C)=O,"InChI=1S/C13H20O2/c1-8-12(15)5-4-11-6-10(9(2)14)7-13(8,11)3/h7-8,11-12,15H,4-6H2,1-3H3",GBUDXEBRIWMUIF,UHFFFAOYSA,N,Eremopetasinorol,GBUDXEBRIWMUIF-UHFFFAOYSA-N
HMDB29669,206.13067982,C13H18O2,CC1C(=O)CCC2CC(=CC12C)C(C)=O,"InChI=1S/C13H18O2/c1-8-12(15)5-4-11-6-10(9(2)14)7-13(8,11)3/h7-8,11H,4-6H2,1-3H3",JJZRURWGJILXRH,UHFFFAOYSA,N,Eremopetasinorone A,JJZRURWGJILXRH-UHFFFAOYSA-N
HMDB29670,224.141244506,C13H20O3,CC1C(O)CCC2CC3(OC3C12C)C(C)=O,"InChI=1S/C13H20O3/c1-7-10(15)5-4-9-6-13(8(2)14)11(16-13)12(7,9)3/h7,9-11,15H,4-6H2,1-3H3",IDTQMVOQRHWPMV,UHFFFAOYSA,N,Epoxyeremopetasinorol,IDTQMVOQRHWPMV-UHFFFAOYSA-N
HMDB29671,138.068079564,C8H10O2,COC1=CC=C(OC)C=C1,"InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3",OHBQPCCCRFSCAX,UHFFFAOYSA,N,"1,4-Dimethoxybenzene",OHBQPCCCRFSCAX-UHFFFAOYSA-N
HMDB29672,138.068079564,C8H10O2,COC1=CC(OC)=CC=C1,"InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3",DPZNOMCNRMUKPS,UHFFFAOYSA,N,"1,3-Dimethoxybenzene",DPZNOMCNRMUKPS-UHFFFAOYSA-N
HMDB29673,168.042258744,C8H8O4,COC1=CC(=O)C=C(OC)C1=O,"InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3",OLBNOBQOQZRLMP,UHFFFAOYSA,N,"2,6-Dimethoxy-1,4-benzoquinone",OLBNOBQOQZRLMP-UHFFFAOYSA-N
HMDB29674,186.044757303,C9H11ClO2,COC1=CC(C)=CC(OC)=C1Cl,"InChI=1S/C9H11ClO2/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5H,1-3H3",IOXKXMFPMHDABX,UHFFFAOYSA,N,"2-Chloro-1,3-dimethoxy-5-methylbenzene",IOXKXMFPMHDABX-UHFFFAOYSA-N
HMDB29676,300.063388116,C16H12O6,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",MBNGWHIJMBWFHU,UHFFFAOYSA,N,Diosmetin,MBNGWHIJMBWFHU-UHFFFAOYSA-N
HMDB29677,328.094688244,C18H16O6,COC1=CC=CC(OC)=C1C1=CC(=O)C2=C(O1)C=CC(OC)=C2O,"InChI=1S/C18H16O6/c1-21-11-5-4-6-12(22-2)17(11)15-9-10(19)16-13(24-15)7-8-14(23-3)18(16)20/h4-9,20H,1-3H3",BFXYIQRRGIMMSR,UHFFFAOYSA,N,Zapotinin,BFXYIQRRGIMMSR-UHFFFAOYSA-N
HMDB29678,496.085305348,C21H20O14,OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3O)C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C21H20O14/c22-4-10-14(29)16(31)17(32)21(33-10)35-20-15(30)11-6(23)3-9(26)13(28)19(11)34-18(20)5-1-7(24)12(27)8(25)2-5/h1-3,10,14,16-17,21-29,31-32H,4H2",FYQLKIUMCHVQQI,UHFFFAOYSA,N,Hibiscitrin,FYQLKIUMCHVQQI-UHFFFAOYSA-N
HMDB29679,432.10564686,C21H20O10,OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(CO)C=C2O)C3=O)C(O)C(O)C1O,"InChI=1S/C21H20O10/c22-6-8-4-10-14(11(24)5-8)18(27)15-9(16(10)25)2-1-3-12(15)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2",KIZBWUUJNJEYCM,UHFFFAOYSA,N,"1,8-Dihydroxy-3-hydroxymethylanthraquinone 8-O-b-D-glucoside",KIZBWUUJNJEYCM-UHFFFAOYSA-N
HMDB29680,168.07864425,C9H12O3,COC1=CC(C)=CC(OC)=C1O,"InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3",ZFBNNSOJNZBLLS,UHFFFAOYSA,N,"2,6-Dimethoxy-4-methylphenol",ZFBNNSOJNZBLLS-UHFFFAOYSA-N
HMDB29681,338.100167552,C16H18O8,O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@H]1O)C(O)=O,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",BMRSEYFENKXDIS,QHAYPTCMSA,N,3-O-p-Coumaroylquinic acid,BMRSEYFENKXDIS-QHAYPTCMSA-N
HMDB29682,354.037567296,C18H10O8,OC1=CC=C(C=C1O)C1=C(O)C(=O)C2=C(OC3=C2C=C(O)C(O)=C3)C1=O,"InChI=1S/C18H10O8/c19-8-2-1-6(3-9(8)20)13-15(23)16(24)14-7-4-10(21)11(22)5-12(7)26-18(14)17(13)25/h1-5,19-23H",YXRBIRYXOSYHBV,UHFFFAOYSA,N,Cyclovariegatin,YXRBIRYXOSYHBV-UHFFFAOYSA-N
HMDB29683,348.266445018,C22H36O3,CCCCCCCCCCCCCCCC1=CC=CC(O)=C1C(O)=O,"InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)",ADFWQBGTDJIESE,UHFFFAOYSA,N,2-Hydroxy-6-pentadecylbenzoic acid,ADFWQBGTDJIESE-UHFFFAOYSA-N
HMDB29684,178.049075456,C7H6N4O2,OC1=CC=CC(OC2=NN=NN2)=C1,"InChI=1S/C7H6N4O2/c12-5-2-1-3-6(4-5)13-7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)",DZHBTQHPZSGDOR,UHFFFAOYSA,N,Melizame,DZHBTQHPZSGDOR-UHFFFAOYSA-N
HMDB29685,180.07864425,C10H12O3,CCOC1=CC=C(C=O)C=C1OC,"InChI=1S/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H3",BERFDQAMXIBOHM,UHFFFAOYSA,N,4-Ethoxy-3-methoxybenzaldehyde,BERFDQAMXIBOHM-UHFFFAOYSA-N
HMDB29686,136.0524295,C8H8O2,COC1=CC=C(C=O)C=C1,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",ZRSNZINYAWTAHE,UHFFFAOYSA,N,4-Methoxybenzaldehyde,ZRSNZINYAWTAHE-UHFFFAOYSA-N
HMDB29687,254.094294314,C16H14O3,COC1=CC2=C(C=C1)C=CC1=C2C(O)=C(OC)C=C1,"InChI=1S/C16H14O3/c1-18-12-7-5-10-3-4-11-6-8-14(19-2)16(17)15(11)13(10)9-12/h3-9,17H,1-2H3",GKDSKCYMUUXQLA,UHFFFAOYSA,N,"3,6-Dimethoxy-4-phenanthrenol",GKDSKCYMUUXQLA-UHFFFAOYSA-N
HMDB29688,172.088815006,C12H12O,CCOC1=CC2=C(C=CC=C2)C=C1,"InChI=1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3",GUMOJENFFHZAFP,UHFFFAOYSA,N,2-Ethoxynaphthalene,GUMOJENFFHZAFP-UHFFFAOYSA-N
HMDB29689,160.034670946,C10H8S,SC1=CC2=C(C=CC=C2)C=C1,"InChI=1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",RFCQDOVPMUSZMN,UHFFFAOYSA,N,2-Naphthalenethiol,RFCQDOVPMUSZMN-UHFFFAOYSA-N
HMDB29690,408.433116414,C28H56O,CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O,"InChI=1S/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h28H,2-27H2,1H3",LVXORIXZNUNHGQ,UHFFFAOYSA,N,Octacosanal,LVXORIXZNUNHGQ-UHFFFAOYSA-N
HMDB29691,166.099379692,C10H14O2,CC1C2CCC(C)=CC2OC1=O,"InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3",NQWBFQXRASPNLB,UHFFFAOYSA,N,Wine lactone,NQWBFQXRASPNLB-UHFFFAOYSA-N
HMDB29694,152.029585568,C8H8OS,CSC(=O)C1=CC=CC=C1,"InChI=1S/C8H8OS/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",RQVWTMCUTHKGCM,UHFFFAOYSA,N,S-Methyl benzenecarbothioate,RQVWTMCUTHKGCM-UHFFFAOYSA-N
HMDB29695,380.401816286,C26H52O,CCCCCCCCCCCCCCCCCCCCCCCCCC=O,"InChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h26H,2-25H2,1H3",QAXXQMIHMLTJQI,UHFFFAOYSA,N,Hexacosanal,QAXXQMIHMLTJQI-UHFFFAOYSA-N
HMDB29696,124.0524295,C7H8O2,COC1=CC=C(O)C=C1,"InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3",NWVVVBRKAWDGAB,UHFFFAOYSA,N,Mequinol,NWVVVBRKAWDGAB-UHFFFAOYSA-N
HMDB29697,134.073164942,C9H10O,OCC=CC1=CC=CC=C1,"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2",OOCCDEMITAIZTP,UHFFFAOYSA,N,Cinnamyl alcohol,OOCCDEMITAIZTP-UHFFFAOYSA-N
HMDB29698,134.073164942,C9H10O,OC\C=C\C1=CC=CC=C1,"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+",OOCCDEMITAIZTP,QPJJXVBHSA,N,trans-Cinnamyl alcohol,OOCCDEMITAIZTP-QPJJXVBHSA-N
HMDB29699,176.083729628,C11H12O2,CC(=O)OC\C=C/C1=CC=CC=C1,"InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5-",WJSDHUCWMSHDCR,YVMONPNESA,N,Cinnamyl acetate,WJSDHUCWMSHDCR-YVMONPNESA-N
HMDB29700,238.099379692,C16H14O2,O=C(OC\C=C\C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+",UARVBDPGNUHYQT,JXMROGBWSA,N,Cinnamyl benzoate,UARVBDPGNUHYQT-JXMROGBWSA-N
HMDB29701,408.46950192,C29H60,CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C29H60/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)3/h29H,4-28H2,1-3H3",YGCGPCUUTAKOEU,UHFFFAOYSA,N,2-Methyloctacosane,YGCGPCUUTAKOEU-UHFFFAOYSA-N
HMDB29702,835.655047046,C20H8I4O5,OC1=C(I)C2=C(C=C1I)C1(OC(=O)C3=C1C=CC=C3)C1=CC(I)=C(O)C(I)=C1O2,"InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H",OALHHIHQOFIMEF,UHFFFAOYSA,N,Erythrosine,OALHHIHQOFIMEF-UHFFFAOYSA-N
HMDB29703,151.063328537,C8H9NO2,COC(=O)C1=CC=CC=C1N,"InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3",VAMXMNNIEUEQDV,UHFFFAOYSA,N,Methyl 2-aminobenzoate,VAMXMNNIEUEQDV-UHFFFAOYSA-N
HMDB29704,232.18271539,C16H24O,CC1=CCCC(C)(C)C1\C=C\C(=O)CCC=C,"InChI=1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+",FXCYGAGBPZQRJE,ZHACJKMWSA,N,"1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one",FXCYGAGBPZQRJE-ZHACJKMWSA-N
HMDB29706,198.09054634,C11H10N4,CN1C(N)=NC2=C1C=CC1=NC=CC=C21,"InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)",ARZWATDYIYAUTA,UHFFFAOYSA,N,"2-Amino-3-methylimidazo[4,5-f]quinoline",ARZWATDYIYAUTA-UHFFFAOYSA-N
HMDB29707,212.106196404,C12H12N4,CN1C(N)=NC2=C1C(C)=CC1=C2C=CC=N1,"InChI=1S/C12H12N4/c1-7-6-9-8(4-3-5-14-9)10-11(7)16(2)12(13)15-10/h3-6H,1-2H3,(H2,13,15)",GMGWMIJIGUYNAY,UHFFFAOYSA,N,"2-Amino-3,4-dimethylimidazo[4,5-f]quinoline",GMGWMIJIGUYNAY-UHFFFAOYSA-N
HMDB29708,161.120449485,C11H15N,CC1=NC2=C(CCCC2)C(C)=C1,"InChI=1S/C11H15N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h7H,3-6H2,1-2H3",ZBIKAJHAGKBFKR,UHFFFAOYSA,N,"5,6,7,8-Tetrahydro-2,4-dimethylquinoline",ZBIKAJHAGKBFKR-UHFFFAOYSA-N
HMDB29709,147.104799421,C10H13N,CC1=CC=NC2=C1CCCC2,"InChI=1S/C10H13N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h6-7H,2-5H2,1H3",LGYCOYCCCKHXGC,UHFFFAOYSA,N,"5,6,7,8-Tetrahydro-4-methylquinoline",LGYCOYCCCKHXGC-UHFFFAOYSA-N
HMDB29710,373.100895833,C15H19NO10,COC1=CC2=C(C=C1)N(O)C(=O)C(OC1OC(CO)C(O)C(O)C1O)O2,"InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3",WTGXAWKVZMQEDA,UHFFFAOYSA,N,DIMBOA-Glc,WTGXAWKVZMQEDA-UHFFFAOYSA-N
HMDB29711,286.047738052,C15H10O6,OC1=CC=C(\C=C2/OC3=C(O)C(O)=CC=C3C2=O)C=C1O,"InChI=1S/C15H10O6/c16-9-3-1-7(5-11(9)18)6-12-13(19)8-2-4-10(17)14(20)15(8)21-12/h1-6,16-18,20H/b12-6-",PNIFOHGQPKXLJE,SDQBBNPISA,N,Maritimetin,PNIFOHGQPKXLJE-SDQBBNPISA-N
HMDB29713,84.998619791,C3H3NS,S1C=CN=C1,InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H,FZWLAAWBMGSTSO,UHFFFAOYSA,N,Thiazole,FZWLAAWBMGSTSO-UHFFFAOYSA-N
HMDB29714,162.068079564,C10H10O2,O=C1CCC2=CC=CC=C2OC1,"InChI=1S/C10H10O2/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-4H,5-7H2",KKXKJOBVUSXAFR,UHFFFAOYSA,N,"4,5-Dihydro-1-benzoxepin-3(2H)-one",KKXKJOBVUSXAFR-UHFFFAOYSA-N
HMDB29715,150.013935504,C8H6OS,O1C=CC=C1C1=CC=CS1,InChI=1S/C8H6OS/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H,RVYKTPRETIBSPK,UHFFFAOYSA,N,2-(2-Thienyl)furan,RVYKTPRETIBSPK-UHFFFAOYSA-N
HMDB29716,139.975441508,C6H4S2,S1C=CC2=C1SC=C2,InChI=1S/C6H4S2/c1-3-7-6-5(1)2-4-8-6/h1-4H,YHBTXTFFTYXOFV,UHFFFAOYSA,N,Liquid thiophthene,YHBTXTFFTYXOFV-UHFFFAOYSA-N
HMDB29717,111.99828544,C5H4OS,O=CC1=CC=CS1,InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H,CNUDBTRUORMMPA,UHFFFAOYSA,N,2-Thiophenecarboxaldehyde,CNUDBTRUORMMPA-UHFFFAOYSA-N
HMDB29718,84.003370818,C4H4S,S1C=CC=C1,InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H,YTPLMLYBLZKORZ,UHFFFAOYSA,N,Thiophene,YTPLMLYBLZKORZ-UHFFFAOYSA-N
HMDB29719,142.008850126,C6H6O2S,COC(=O)C1=CC=CS1,"InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3",PGBFYLVIMDQYMS,UHFFFAOYSA,N,Methyl thiophene-2-carboxylate,PGBFYLVIMDQYMS-UHFFFAOYSA-N
HMDB29720,115.975441508,C4H4S2,SC1=CC=CS1,"InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H",SWEDAZLCYJDAGW,UHFFFAOYSA,N,2-Thiophenethiol,SWEDAZLCYJDAGW-UHFFFAOYSA-N
HMDB29721,110.073164942,C7H10O,CC1=CC(C)=C(C)O1,"InChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h4H,1-3H3",NJXZFRUNHWKHEC,UHFFFAOYSA,N,"2,3,5-Trimethylfuran",NJXZFRUNHWKHEC-UHFFFAOYSA-N
HMDB29722,109.089149357,C7H11N,CN1C(C)=CC=C1C,"InChI=1S/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3",YRABRACUKBOTKB,UHFFFAOYSA,N,"1,2,5-Trimethyl-1H-pyrrole",YRABRACUKBOTKB-UHFFFAOYSA-N
HMDB29723,182.999013721,C7H5NO3S,O=C1NS(=O)(=O)C2=C1C=CC=C2,"InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)",CVHZOJJKTDOEJC,UHFFFAOYSA,N,Saccharin,CVHZOJJKTDOEJC-UHFFFAOYSA-N
HMDB29726,110.019020882,C6H6S,C=CC1=CC=CS1,"InChI=1S/C6H6S/c1-2-6-4-3-5-7-6/h2-5H,1H2",ORNUPNRNNSVZTC,UHFFFAOYSA,N,2-Vinylthiophene,ORNUPNRNNSVZTC-UHFFFAOYSA-N
HMDB29727,136.100048394,C8H12N2,CCC1=CN=C(C)C(C)=N1,"InChI=1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3",CIBKSMZEVHTQLG,UHFFFAOYSA,N,"5-Ethyl-2,3-dimethylpyrazine",CIBKSMZEVHTQLG-UHFFFAOYSA-N
HMDB29728,110.073164942,C7H10O,CCC1=CC=C(C)O1,"InChI=1S/C7H10O/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3",NBXLPPVOZWYADY,UHFFFAOYSA,N,2-Ethyl-5-methylfuran,NBXLPPVOZWYADY-UHFFFAOYSA-N
HMDB29729,121.089149357,C8H11N,CCC1=CN=C(C)C=C1,"InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3",NTSLROIKFLNUIJ,UHFFFAOYSA,N,5-Ethyl-2-methylpyridine,NTSLROIKFLNUIJ-UHFFFAOYSA-N
HMDB29730,127.045569983,C6H9NS,CCC1=NC(C)=CS1,"InChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3",VGRVKVGGUPOCMT,UHFFFAOYSA,N,2-Ethyl-4-methylthiazole,VGRVKVGGUPOCMT-UHFFFAOYSA-N
HMDB29731,127.045569983,C6H9NS,CCC1=CSC(C)=N1,"InChI=1S/C6H9NS/c1-3-6-4-8-5(2)7-6/h4H,3H2,1-2H3",JEEOZKGYSUUAAU,UHFFFAOYSA,N,4-Ethyl-2-methylthiazole,JEEOZKGYSUUAAU-UHFFFAOYSA-N
HMDB29732,127.045569983,C6H9NS,CCC1=C(C)N=CS1,"InChI=1S/C6H9NS/c1-3-6-5(2)7-4-8-6/h4H,3H2,1-2H3",XPQULTFBJPGINB,UHFFFAOYSA,N,5-Ethyl-4-methylthiazole,XPQULTFBJPGINB-UHFFFAOYSA-N
HMDB29733,126.05032101,C7H10S,CCC1=CC=C(C)S1,"InChI=1S/C7H10S/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3",VOIVNYVBGCJFRW,UHFFFAOYSA,N,2-Ethyl-5-methylthiophene,VOIVNYVBGCJFRW-UHFFFAOYSA-N
HMDB29734,107.073499293,C7H9N,CCC1=CC=CN=C1,"InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3",MFEIKQPHQINPRI,UHFFFAOYSA,N,3-Ethylpyridine,MFEIKQPHQINPRI-UHFFFAOYSA-N
HMDB29735,228.006741636,C13H8S2,CC#CC1=CC=C(S1)C1=CC=C(S1)C#C,"InChI=1S/C13H8S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h2,6-9H,1H3",DZJGBWIIRBMCFS,UHFFFAOYSA,N,"5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene",DZJGBWIIRBMCFS-UHFFFAOYSA-N
HMDB29736,126.042927446,C5H6N2O2,OC(=O)CN1C=CN=C1,"InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9)",QAFBDRSXXHEXGB,UHFFFAOYSA,N,1H-Imidazole-1-acetic acid,QAFBDRSXXHEXGB-UHFFFAOYSA-N
HMDB29737,145.052763851,C9H7NO,O=CC1=CNC2=C1C=CC=C2,"InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",OLNJUISKUQQNIM,UHFFFAOYSA,N,1H-Indole-3-carboxaldehyde,OLNJUISKUQQNIM-UHFFFAOYSA-N
HMDB29738,189.078978601,C11H11NO2,COC(=O)CC1=CNC2=C1C=CC=C2,"InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3",KTHADMDGDNYQRX,UHFFFAOYSA,N,Indole-3-methyl acetate,KTHADMDGDNYQRX-UHFFFAOYSA-N
HMDB29739,174.079312952,C10H10N2O,NC(=O)CC1=CNC2=CC=CC=C12,"InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)",ZOAMBXDOGPRZLP,UHFFFAOYSA,N,1H-Indole-3-acetamide,ZOAMBXDOGPRZLP-UHFFFAOYSA-N
HMDB29740,146.08439833,C9H10N2,NCC1=CNC2=CC=CC=C12,"InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2",JXYGLMATGAAIBU,UHFFFAOYSA,N,1H-Indole-3-methanamine,JXYGLMATGAAIBU-UHFFFAOYSA-N
HMDB29741,196.121177766,C10H16N2O2,COC1=NC(OC)=C(C)N=C1C(C)C,"InChI=1S/C10H16N2O2/c1-6(2)8-10(14-5)12-9(13-4)7(3)11-8/h6H,1-5H3",RPOATJOHCIPTNJ,UHFFFAOYSA,N,"2-Isopropyl-3,5-dimethoxy-6-methylpyrazine",RPOATJOHCIPTNJ-UHFFFAOYSA-N
HMDB29742,166.11061308,C9H14N2O,COC1=C(N=C(C)C=N1)C(C)C,"InChI=1S/C9H14N2O/c1-6(2)8-9(12-4)10-5-7(3)11-8/h5-6H,1-4H3",NCKFIUKGRGDXBF,UHFFFAOYSA,N,3-Isopropyl-2-methoxy-5-methylpyrazine,NCKFIUKGRGDXBF-UHFFFAOYSA-N
HMDB29743,195.068413915,C13H9NO,O=CC1=CC2=C(NC3=CC=CC=C23)C=C1,"InChI=1S/C13H9NO/c15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h1-8,14H",WRBOHOGDAJPJOQ,UHFFFAOYSA,N,9H-Carbazole-3-carboxaldehyde,WRBOHOGDAJPJOQ-UHFFFAOYSA-N
HMDB29744,225.078978601,C14H11NO2,COC(=O)C1=CC2=C(NC3=CC=CC=C23)C=C1,"InChI=1S/C14H11NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,15H,1H3",LZXXHWWSVRIDGR,UHFFFAOYSA,N,Methyl 3-carbazolecarboxylate,LZXXHWWSVRIDGR-UHFFFAOYSA-N
HMDB29745,299.072847365,C15H13N3O2S,COC(=O)NC1=NC2=C(N1)C=CC(SC1=CC=CC=C1)=C2,"InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",HDDSHPAODJUKPD,UHFFFAOYSA,N,Fenbendazole,HDDSHPAODJUKPD-UHFFFAOYSA-N
HMDB29746,211.110947431,C13H13N3,CC1=C2C(NC3=CC=CC=C23)=C(C)C(N)=N1,"InChI=1S/C13H13N3/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12/h3-6,16H,1-2H3,(H2,14,15)",LVTKHGUGBGNBPL,UHFFFAOYSA,N,"3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole",LVTKHGUGBGNBPL-UHFFFAOYSA-N
HMDB29747,170.08439833,C11H10N2,NC1=NC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)",OAPVIBHQRYFYSE,UHFFFAOYSA,N,2-Amino-5-phenylpyridine,OAPVIBHQRYFYSE-UHFFFAOYSA-N
HMDB29748,184.074896276,C10H8N4,NC1=NC2=C(C=C1)N=C1C=CC=CN21,"InChI=1S/C10H8N4/c11-8-5-4-7-10(13-8)14-6-2-1-3-9(14)12-7/h1-6H,(H2,11,13)",BUXVIXBGMQXWGT,UHFFFAOYSA,N,"2-Aminodipyrido[1,2-a:3',2'-d]imidazole",BUXVIXBGMQXWGT-UHFFFAOYSA-N
HMDB29749,198.09054634,C11H10N4,CC1=CC=CN2C3=C(C=CC(=N)N3)N=C12,"InChI=1S/C11H10N4/c1-7-3-2-6-15-10(7)13-8-4-5-9(12)14-11(8)15/h2-6H,1H3,(H2,12,14)",AYLURHVFAYRSHT,UHFFFAOYSA,N,"2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole",AYLURHVFAYRSHT-UHFFFAOYSA-N
HMDB29750,126.031694058,C6H6O3,COC(=O)C1=CC=CO1,"InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3",HDJLSECJEQSPKW,UHFFFAOYSA,N,Methyl 2-furoate,HDJLSECJEQSPKW-UHFFFAOYSA-N
HMDB29751,128.062600256,C10H8,C1=CC2=CC=CC=C2C=C1,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,UFWIBTONFRDIAS,UHFFFAOYSA,N,Naphthalene,UFWIBTONFRDIAS-UHFFFAOYSA-N
HMDB29752,240.042258744,C14H8O4,OC1=CC=CC2=C1C(=O)C1=C(C=CC=C1O)C2=O,"InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H",QBPFLULOKWLNNW,UHFFFAOYSA,N,Dantron,QBPFLULOKWLNNW-UHFFFAOYSA-N
HMDB29754,578.142426277,C30H26O12,O[C@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",XFZJEEAOWLFHDH,UKWJTHFESA,N,Procyanidin B1,XFZJEEAOWLFHDH-UKWJTHFESA-N
HMDB29755,99.014269855,C4H5NS,C=CCSC#N,"InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2",IFVYHJRLWCUVBB,UHFFFAOYSA,N,3-Thiocyanato-1-propene,IFVYHJRLWCUVBB-UHFFFAOYSA-N
HMDB29756,230.090271568,C9H14N2O5,CC(=O)C1=NC(=CN1)C(O)C(O)C(O)CO,"InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)",CQSIXFHVGKMLGQ,UHFFFAOYSA,N,"(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole",CQSIXFHVGKMLGQ-UHFFFAOYSA-N
HMDB29757,133.052763851,C8H7NO,OC1=CC=C(CC#N)C=C1,"InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2",AYKYOOPFBCOXSL,UHFFFAOYSA,N,4-Hydroxybenzeneacetonitrile,AYKYOOPFBCOXSL-UHFFFAOYSA-N
HMDB29758,176.047344118,C10H8O3,COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",LIIALPBMIOVAHH,UHFFFAOYSA,N,Herniarin,LIIALPBMIOVAHH-UHFFFAOYSA-N
HMDB29759,137.084063979,C8H11NO,CCN1C=CC=C1C(C)=O,"InChI=1S/C8H11NO/c1-3-9-6-4-5-8(9)7(2)10/h4-6H,3H2,1-2H3",HQADRFRTIALOCB,UHFFFAOYSA,N,2-Acetyl-1-ethylpyrrole,HQADRFRTIALOCB-UHFFFAOYSA-N
HMDB29760,172.146329884,C10H20O2,CCC\C=C\C(OCC)OCC,"InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+",WMQKYHTZGYIHHD,CMDGGOBGSA,N,"1,1-Diethoxy-2-hexene",WMQKYHTZGYIHHD-CMDGGOBGSA-N
HMDB29761,142.099379692,C8H14O2,CCOC(=O)C(C)CC=C,"InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3",BDBGKYIBDXAVMX,UHFFFAOYSA,N,Ethyl (±)-2-methyl-4-pentenoate,BDBGKYIBDXAVMX-UHFFFAOYSA-N
HMDB29762,116.083729628,C6H12O2,CCC(C)C(=O)OC,"InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3",OCWLYWIFNDCWRZ,UHFFFAOYSA,N,Methyl (S)-2-Methylbutanoate,OCWLYWIFNDCWRZ-UHFFFAOYSA-N
HMDB29763,198.161979948,C12H22O2,CCCCCCCCC(=O)OCC=C,"InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3",MFLWLDDOGSNSKO,UHFFFAOYSA,N,Allyl nonanoate,MFLWLDDOGSNSKO-UHFFFAOYSA-N
HMDB29764,342.31339521,C21H42O3,CCCCCCCCCCCCCCCCCC(=O)OCC(C)O,"InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h20,22H,3-19H2,1-2H3",FKOKUHFZNIUSLW,UHFFFAOYSA,N,Propylene glycol stearate,FKOKUHFZNIUSLW-UHFFFAOYSA-N
HMDB29765,240.20893014,C15H28O2,CCCCC\C=C\CCCCCCCC(O)=O,"InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h6-7H,2-5,8-14H2,1H3,(H,16,17)/b7-6+",DJCQJZKZUCHHAL,VOTSOKGWSA,N,9-Pentadecenoic acid,DJCQJZKZUCHHAL-VOTSOKGWSA-N
HMDB29766,504.257062122,C24H40O11,CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(O)CC1(C)C,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13-22,25-31H,8-11H2,1-4H3/b6-5+",NQBMFFMRSAECDY,AATRIKPKSA,N,"(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside]",NQBMFFMRSAECDY-AATRIKPKSA-N
HMDB29767,590.41825421,C35H58O7,CC(C)C(O)(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C35H58O7/c1-7-35(40,20(2)3)17-12-21(4)25-10-11-26-24-9-8-22-18-23(13-15-33(22,5)27(24)14-16-34(25,26)6)41-32-31(39)30(38)29(37)28(19-36)42-32/h7-8,20-21,23-32,36-40H,1,9-19H2,2-6H3",MRNRLEVLPFVWRY,UHFFFAOYSA,N,Saringosterol 3-glucoside,MRNRLEVLPFVWRY-UHFFFAOYSA-N
HMDB29768,574.423339588,C35H58O6,C\C=C(/CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h7,10,20-21,24-33,36-39H,8-9,11-19H2,1-6H3/b22-7+",FHEBKVQDISXEGI,QPJQQBGISA,N,Isofucosterol glucoside,FHEBKVQDISXEGI-QPJQQBGISA-N
HMDB29769,1080.535253616,C51H84O24,CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C51H84O24/c1-19-5-10-51(66-18-19)20(2)32-27(75-51)13-24-22-12-26(56)25-11-21(6-8-49(25,3)23(22)7-9-50(24,32)4)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3",ZQEKBPUAGJKEQO,UHFFFAOYSA,N,Isoeruboside B,ZQEKBPUAGJKEQO-UHFFFAOYSA-N
HMDB29770,534.267626808,C25H42O12,CC(CCC1(O)C(C)=CC(=O)CC1(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C25H42O12/c1-11-8-14(26)9-24(4,5)25(11,33)7-6-12(2)35-23-21(32)19(30)17(28)15(37-23)10-34-22-20(31)18(29)16(27)13(3)36-22/h8,12-13,15-23,27-33H,6-7,9-10H2,1-5H3",JDTFCGGOAXAFRS,UHFFFAOYSA,N,"7,8-Dihydrovomifoliol 9-[rhamnosyl-(1->6)-glucoside]",JDTFCGGOAXAFRS-UHFFFAOYSA-N
HMDB29771,520.251976744,C24H40O12,CC(CCC1(O)C(C)=CC(=O)CC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13,15-21,25,27-32H,5-6,8-11H2,1-4H3",VXZUZURNJDKPBW,UHFFFAOYSA,N,"7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside]",VXZUZURNJDKPBW-UHFFFAOYSA-N
HMDB29772,386.194067936,C19H30O8,CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+",SWYRVCGNMNAFEK,AATRIKPKSA,N,Corchoionol C 9-glucoside,SWYRVCGNMNAFEK-AATRIKPKSA-N
HMDB29773,518.23632668,C24H38O12,CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+",WGPMCTNBJPAHNW,AATRIKPKSA,N,"6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside]",WGPMCTNBJPAHNW-AATRIKPKSA-N
HMDB29774,248.104859,C14H16O4,COCC(=O)C1=C(O)C=C2OC(C)(C)C=CC2=C1,"InChI=1S/C14H16O4/c1-14(2)5-4-9-6-10(12(16)8-17-3)11(15)7-13(9)18-14/h4-7,15H,8H2,1-3H3",TZTBQYUROLBSLN,UHFFFAOYSA,N,"7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran",TZTBQYUROLBSLN-UHFFFAOYSA-N
HMDB29775,206.057908808,C11H10O4,OC1=C(O)C=C(\C=C\C(=O)OC=C)C=C1,"InChI=1S/C11H10O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h2-7,12-13H,1H2/b6-4+",XVCVDNKCUNGTRP,GQCTYLIASA,N,Vinyl caffeate,XVCVDNKCUNGTRP-GQCTYLIASA-N
HMDB29776,473.153325333,C20H27NO12,OCC1OC(OCC2OC(OC(C#N)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C20H27NO12/c21-5-10(8-1-3-9(23)4-2-8)31-20-18(29)16(27)14(25)12(33-20)7-30-19-17(28)15(26)13(24)11(6-22)32-19/h1-4,10-20,22-29H,6-7H2",FPYKJQSRWXKDRY,UHFFFAOYSA,N,Dhurrin 6'-glucoside,FPYKJQSRWXKDRY-UHFFFAOYSA-N
HMDB29777,328.152203122,C16H24O7,CC(C)C1=CC(O)=C(C)C(OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C16H24O7/c1-7(2)9-4-10(18)8(3)11(5-9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3",KKDBPBRQLCHZDX,UHFFFAOYSA,N,Cymorcin monoglucoside,KKDBPBRQLCHZDX-UHFFFAOYSA-N
HMDB29778,376.100561482,C15H20O11,CC1OC(C)=C(OC2OC(COC(=O)CC(O)=O)C(O)C(O)C2O)C1=O,"InChI=1S/C15H20O11/c1-5-10(19)14(6(2)24-5)26-15-13(22)12(21)11(20)7(25-15)4-23-9(18)3-8(16)17/h5,7,11-13,15,20-22H,3-4H2,1-2H3,(H,16,17)",QJYOBEMAMLWZTF,UHFFFAOYSA,N,Furaneol 4-(6-malonylglucoside),QJYOBEMAMLWZTF-UHFFFAOYSA-N
HMDB29779,608.371304018,C37H52O7,CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CC(OC(=O)C6=CC(O)=C(O)C=C6)C(O)C(C)(C)C5CCC34C)C12)C(O)=O,"InChI=1S/C37H52O7/c1-20(2)22-12-15-37(32(42)43)17-16-35(6)23(29(22)37)9-11-28-34(5)19-26(44-31(41)21-8-10-24(38)25(39)18-21)30(40)33(3,4)27(34)13-14-36(28,35)7/h8,10,18,22-23,26-30,38-40H,1,9,11-17,19H2,2-7H3,(H,42,43)",MKDOBXUKRMFQNI,UHFFFAOYSA,N,2-O-Protocatechuoylalphitolic acid,MKDOBXUKRMFQNI-UHFFFAOYSA-N
HMDB29780,634.386954082,C39H54O7,CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(OC(=O)\C=C\C6=CC(O)=C(O)C=C6)C(C)(C)C5CCC34C)C12)C(O)=O,"InChI=1S/C39H54O7/c1-22(2)24-14-17-39(34(44)45)19-18-37(6)25(32(24)39)10-12-30-36(5)21-28(42)33(35(3,4)29(36)15-16-38(30,37)7)46-31(43)13-9-23-8-11-26(40)27(41)20-23/h8-9,11,13,20,24-25,28-30,32-33,40-42H,1,10,12,14-19,21H2,2-7H3,(H,44,45)/b13-9+",AWDJEUILTFQWKH,UKTHLTGXSA,N,2alpha-Hydroxypyracrenic acid,AWDJEUILTFQWKH-UKTHLTGXSA-N
HMDB29781,1094.581415948,C60H86O18,CC1C(C)C2(CCCO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C(O)CO,"InChI=1S/C60H86O18/c1-29-22-42-44(25-48-54(75-42)31(3)52(64)58-55(76-48)30(2)32(4)60(78-58)20-9-21-66-60)72-46-27-51-59(5,77-47(46)23-29)50(63)26-45-36(73-51)12-7-6-11-35-37(70-45)16-17-39-38(68-35)18-19-40-43(69-39)24-49-57(74-40)53(65)56-41(71-49)13-8-10-34(67-56)15-14-33(62)28-61/h6-8,10,14-19,29-58,61-65H,9,11-13,20-28H2,1-5H3/b7-6-,15-14-",RWSYPPRKMNWNII,HXDWTSBLSA,N,54-Deoxyciguatoxin,RWSYPPRKMNWNII-HXDWTSBLSA-N
HMDB29782,374.194067936,C18H30O8,CC\C=C\CC1C(CC(O)=O)CCC1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C18H30O8/c1-2-3-4-5-11-10(8-14(20)21)6-7-12(11)25-18-17(24)16(23)15(22)13(9-19)26-18/h3-4,10-13,15-19,22-24H,2,5-9H2,1H3,(H,20,21)/b4-3+",GJZJZRWFRZFTEE,ONEGZZNKSA,N,6-Epi-7-isocucurbic acid glucoside,GJZJZRWFRZFTEE-ONEGZZNKSA-N
HMDB29783,310.068867424,C14H14O8,OC(CC(O)=O)C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C14H14O8/c15-9-4-1-8(2-5-9)3-6-12(19)22-13(14(20)21)10(16)7-11(17)18/h1-6,10,13,15-16H,7H2,(H,17,18)(H,20,21)/b6-3+",WZHTXSWUIFRTCQ,ZZXKWVIFSA,N,Mono-trans-p-coumaroylmesotartaric acid,WZHTXSWUIFRTCQ-ZZXKWVIFSA-N
HMDB29784,332.18350325,C16H28O7,CC(C)=CCCC(O)(COC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C16H28O7/c1-4-16(21,7-5-6-10(2)3)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3",GYQYEMLFBFQXSW,UHFFFAOYSA,N,Unshuoside A,GYQYEMLFBFQXSW-UHFFFAOYSA-N
HMDB29785,1260.598641732,C57H96O30,CC(CCC1(O)OC2CC3C4CC(O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C57H96O30/c1-20(19-77-50-43(72)39(68)35(64)29(14-58)79-50)5-10-57(76)21(2)34-28(87-57)13-25-23-12-27(63)26-11-22(6-8-55(26,3)24(23)7-9-56(25,34)4)78-51-46(75)42(71)47(33(18-62)83-51)84-54-49(86-53-45(74)41(70)37(66)31(16-60)81-53)48(38(67)32(17-61)82-54)85-52-44(73)40(69)36(65)30(15-59)80-52/h20-54,58-76H,5-19H2,1-4H3",WYWLHHWQKOHXHW,UHFFFAOYSA,N,Protoisoeruboside B,WYWLHHWQKOHXHW-UHFFFAOYSA-N
HMDB29786,294.219494826,C18H30O3,CCCCCC1OC(=O)CCCCCCCCC(=O)\C=C\1,"InChI=1S/C18H30O3/c1-2-3-8-12-17-15-14-16(19)11-9-6-4-5-7-10-13-18(20)21-17/h14-15,17H,2-13H2,1H3/b15-14+",SSQZBGJHGPTSLK,CCEZHUSRSA,N,10-Oxo-11-octadecen-13-olide,SSQZBGJHGPTSLK-CCEZHUSRSA-N
HMDB29787,336.099773622,C20H16O5,CC1(C)OC2=CC=C3C=C(C(=O)OC3=C2C=C1)C1=CC=C(O)C=C1O,"InChI=1S/C20H16O5/c1-20(2)8-7-14-17(25-20)6-3-11-9-15(19(23)24-18(11)14)13-5-4-12(21)10-16(13)22/h3-10,21-22H,1-2H3",VFIXONREXXFDQV,UHFFFAOYSA,N,Kanzonol W,VFIXONREXXFDQV-UHFFFAOYSA-N
HMDB29788,376.167459256,C24H24O4,CC(C)=CCC1=C(O)C=C2OC(=CC2=C1)C1=C2OC(C)(C)C=CC2=C(O)C=C1,"InChI=1S/C24H24O4/c1-14(2)5-6-15-11-16-12-22(27-21(16)13-20(15)26)18-7-8-19(25)17-9-10-24(3,4)28-23(17)18/h5,7-13,25-26H,6H2,1-4H3",AKOSXIFOBUWPLU,UHFFFAOYSA,N,Kanzonol V,AKOSXIFOBUWPLU-UHFFFAOYSA-N
HMDB29789,308.104859,C19H16O4,CC1(C)OC2=C(C=CC(O)=C2C=C1)C1=CC2=CC=C(O)C=C2O1,"InChI=1S/C19H16O4/c1-19(2)8-7-13-15(21)6-5-14(18(13)23-19)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3",SJIZTMNAKZAOTA,UHFFFAOYSA,N,Kanzonol U,SJIZTMNAKZAOTA-UHFFFAOYSA-N
HMDB29790,574.162767808,C35H26O8,OC1=CC=C(C=C1)C1OC2=CC(O)=CC(C3C(OC4=C3C=C(C=O)C=C4)C3=CC=C(O)C=C3)=C2C1C1=CC(O)=CC(O)=C1,"InChI=1S/C35H26O8/c36-17-18-1-10-29-27(11-18)32(35(42-29)20-4-8-23(38)9-5-20)28-15-26(41)16-30-33(28)31(21-12-24(39)14-25(40)13-21)34(43-30)19-2-6-22(37)7-3-19/h1-17,31-32,34-35,37-41H",DHTHKPNODOWMKF,UHFFFAOYSA,N,Viniferal,DHTHKPNODOWMKF-UHFFFAOYSA-N
HMDB29791,336.099773622,C20H16O5,CC(C)(C=C)C1=C(O)C2=C(OC3=C4OC=CC4=CC=C3C2=O)C(O)=C1,"InChI=1S/C20H16O5/c1-4-20(2,3)12-9-13(21)19-14(16(12)23)15(22)11-6-5-10-7-8-24-17(10)18(11)25-19/h4-9,21,23H,1H2,2-3H3",XYTVIOHQRFERMN,UHFFFAOYSA,N,Dulciol D,XYTVIOHQRFERMN-UHFFFAOYSA-N
HMDB29792,572.480460536,C37H64O4,CCCCCCCCCC\C=C/CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17-",NHZOCAXASXRFNX,JZJYNLBNSA,N,Dieporeticenin,NHZOCAXASXRFNX-JZJYNLBNSA-N
HMDB29793,394.214409448,C25H30O4,CC(C)=CCC1=C(O)C=CC(C2COC3=C(CC=C(C)C)C(O)=CC=C3C2)=C1O,"InChI=1S/C25H30O4/c1-15(2)5-8-20-22(26)12-10-19(24(20)28)18-13-17-7-11-23(27)21(9-6-16(3)4)25(17)29-14-18/h5-7,10-12,18,26-28H,8-9,13-14H2,1-4H3",KZTSESJJLOEXBX,UHFFFAOYSA,N,"(R)-2',4',7-Trihydroxy-3',8-diprenylisoflavan",KZTSESJJLOEXBX-UHFFFAOYSA-N
HMDB29794,938.196431516,C40H42O26,OCC1OC(OC2=C(O)C=C(COC(=O)C3=CC(O)=C(OC4=C(C=C(O)C(O)=C4O)C(=O)OCC4=CC(O)=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)C(O)=C3)C=C2O)C(O)C(O)C1O,"InChI=1S/C40H42O26/c41-8-23-26(51)28(53)31(56)39(62-23)65-35-17(44)1-12(2-18(35)45)10-60-37(58)14-5-21(48)34(22(49)6-14)64-33-15(7-16(43)25(50)30(33)55)38(59)61-11-13-3-19(46)36(20(47)4-13)66-40-32(57)29(54)27(52)24(9-42)63-40/h1-7,23-24,26-29,31-32,39-57H,8-11H2",UJJJMPAJSVUXAT,UHFFFAOYSA,N,Isochestanin,UJJJMPAJSVUXAT-UHFFFAOYSA-N
HMDB29795,574.4961106,C37H66O4,CCCCCCCCCCCC\C=C/CC\C=C/CCC(O)C(O)CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-35(38)36(39)31-28-25-22-19-18-20-23-26-29-34-32-33(2)41-37(34)40/h14-15,21,24,32-33,35-36,38-39H,3-13,16-20,22-23,25-31H2,1-2H3/b15-14-,24-21-",ULFROYYCMRNCTL,ACNZRUBCSA,N,Montecristin,ULFROYYCMRNCTL-ACNZRUBCSA-N
HMDB29796,296.23514489,C18H32O3,CCCCCC(=O)CC\C=C\CCCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7+",LDYZTLZOFONHNA,VQHVLOKHSA,N,(Z)-13-Oxo-9-octadecenoic acid,LDYZTLZOFONHNA-VQHVLOKHSA-N
HMDB29797,324.266445018,C20H36O3,CCCCCC(=O)CC\C=C\CCCCCCCCCC(O)=O,"InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11H,2-8,10,12-18H2,1H3,(H,22,23)/b11-9+",BMSUKKKAAVHUEW,PKNBQFBNSA,N,(Z)-15-Oxo-11-eicosenoic acid,BMSUKKKAAVHUEW-PKNBQFBNSA-N
HMDB29798,718.2486227,C36H38N4O12,NC(CC1=CC=C(OC2=CC(CC(N)C(O)=O)=CC(=C2O)C2=C(O)C(OC3=CC=C(CC(N)C(O)=O)C=C3)=CC(CC(N)C(O)=O)=C2)C=C1)C(O)=O,"InChI=1S/C36H38N4O12/c37-25(33(43)44)11-17-1-5-21(6-2-17)51-29-15-19(13-27(39)35(47)48)9-23(31(29)41)24-10-20(14-28(40)36(49)50)16-30(32(24)42)52-22-7-3-18(4-8-22)12-26(38)34(45)46/h1-10,15-16,25-28,41-42H,11-14,37-40H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)",AEABCQUPKOOFQW,UHFFFAOYSA,N,Diisodityrosine,AEABCQUPKOOFQW-UHFFFAOYSA-N
HMDB29799,366.349780716,C24H46O2,CCCCCCCCCCCCCCCCCCCCC\C=C\C(O)=O,"InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h22-23H,2-21H2,1H3,(H,25,26)/b23-22+",ULNRTPCFRBIMKL,GHVJWSGMSA,N,(E)-2-Tetracosenoic acid,ULNRTPCFRBIMKL-GHVJWSGMSA-N
HMDB29800,280.240230268,C18H32O2,CC\C=C\CCCC\C=C\CCCCCCCC(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,9-10H,2,5-8,11-17H2,1H3,(H,19,20)/b4-3+,10-9+",AWGFYZFANDHELM,SCPMJEMWSA,N,Mangiferic acid,AWGFYZFANDHELM-SCPMJEMWSA-N
HMDB29801,478.474981228,C32H62O2,CCCCCCCCCCCCCCCCCCCCCCC\C=C\CCCCCCC(O)=O,"InChI=1S/C32H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h24-25H,2-23,26-31H2,1H3,(H,33,34)/b25-24+",FIVMSLMTKGJUEI,OCOZRVBESA,N,8-Dotriacontenoic acid,FIVMSLMTKGJUEI-OCOZRVBESA-N
HMDB29802,392.401816286,C27H52O,CCCCCCCCCCC(=O)CCCCCCCCCCC1CCCCC1,"InChI=1S/C27H52O/c1-2-3-4-5-6-10-13-19-24-27(28)25-20-14-11-8-7-9-12-16-21-26-22-17-15-18-23-26/h26H,2-25H2,1H3",YSNPNFJCFQOIAC,UHFFFAOYSA,N,1-Cyclohexyl-11-heneicosanone,YSNPNFJCFQOIAC-UHFFFAOYSA-N
HMDB29803,653.351016818,C30H49N6O10,NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1\C=C\C(CCC(N)C(O)=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C30H48N6O10/c31-20(26(37)38)3-1-2-14-36-16-18(6-11-23(34)29(43)44)15-19(8-12-24(35)30(45)46)25(36)13-7-17(4-9-21(32)27(39)40)5-10-22(33)28(41)42/h7,13,15-17,20-24H,1-6,8-12,14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1/b13-7+",OQTAHGSASYCZIY,NTUHNPAUSA,O,Pentasine,OQTAHGSASYCZIY-NTUHNPAUSA-O
HMDB29804,440.350174646,C26H48O5,CCC(CO)C(O)CC(O)C(C)CCC(C)CCCC1(C)C(CC)C(=O)C=CC1(C)O,"InChI=1S/C26H48O5/c1-7-20(17-27)24(30)16-23(29)19(4)12-11-18(3)10-9-14-25(5)21(8-2)22(28)13-15-26(25,6)31/h13,15,18-21,23-24,27,29-31H,7-12,14,16-17H2,1-6H3",HDAGCVMZABLHLE,UHFFFAOYSA,N,Momordol,HDAGCVMZABLHLE-UHFFFAOYSA-N
HMDB29805,1584.146759526,C68H48O45,OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C4OC5=C(O)C(O)=C(O)C=C5C(=O)OC5C(O)OC6COC(=O)C7=CC8=C(OC9(O)C(O8)C(=CC(=O)C9(O)O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C2OC(=O)C3=C4)C(O)=C7C1=CC(=C(O)C(O)=C1O)C(=O)OC6C5OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C68H48O45/c69-22-1-13(2-23(70)38(22)78)57(88)109-52-50-30-11-101-59(90)16-6-26(73)40(80)43(83)34(16)35-18(61(92)107-50)8-28(42(82)44(35)84)103-48-20(7-27(74)41(81)47(48)87)63(94)111-54-53(110-58(89)14-3-24(71)39(79)25(72)4-14)51-31(106-65(54)96)12-102-60(91)17-9-29-49(45(85)33(17)15-5-19(62(93)108-51)37(77)46(86)36(15)76)113-68(100)56(104-29)21(10-32(75)67(68,98)99)64(95)112-55(52)66(97)105-30/h1-10,30-31,50-56,65-66,69-74,76-87,96-100H,11-12H2",GVAZVNNLUHMGOF,UHFFFAOYSA,N,Eugeniflorin D2,GVAZVNNLUHMGOF-UHFFFAOYSA-N
HMDB29806,137.047678473,C7H7NO2,COC(=O)C1=CN=CC=C1,"InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3",YNBADRVTZLEFNH,UHFFFAOYSA,N,Methyl nicotinate,YNBADRVTZLEFNH-UHFFFAOYSA-N
HMDB29807,298.972490523,C3H12NO9P3,OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O,"InChI=1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)",YDONNITUKPKTIG,UHFFFAOYSA,N,[Nitrilotris(methylene)]trisphosphonic acid,YDONNITUKPKTIG-UHFFFAOYSA-N
HMDB29808,550.168641046,C26H30O13,COC1=CC(=CC=C1O)C12OC(C)(C(C1OC1OC(CO)C(O)C(O)C1O)C1=C(O)C=C(O)C=C1O2)C(C)=O,"InChI=1S/C26H30O13/c1-10(28)25(2)19-18-14(31)7-12(29)8-16(18)38-26(39-25,11-4-5-13(30)15(6-11)35-3)23(19)37-24-22(34)21(33)20(32)17(9-27)36-24/h4-8,17,19-24,27,29-34H,9H2,1-3H3",JRJMBDKZBKOKEW,UHFFFAOYSA,N,Castavinol,JRJMBDKZBKOKEW-UHFFFAOYSA-N
HMDB29809,846.241170834,C33H46N6O16S2,CCC(C)C(\N=C(/O)C(N)CC1=CC=C(OS(O)(=O)=O)C=C1)C(\O)=N\C(CC1=CC=C(OS(O)(=O)=O)C=C1)C(\O)=N\C(C(C)O)C(\O)=N\C(CCC(O)=N)C(O)=O,"InChI=1S/C33H46N6O16S2/c1-4-17(2)27(38-29(42)23(34)15-19-5-9-21(10-6-19)54-56(48,49)50)31(44)37-25(16-20-7-11-22(12-8-20)55-57(51,52)53)30(43)39-28(18(3)40)32(45)36-24(33(46)47)13-14-26(35)41/h5-12,17-18,23-25,27-28,40H,4,13-16,34H2,1-3H3,(H2,35,41)(H,36,45)(H,37,44)(H,38,42)(H,39,43)(H,46,47)(H,48,49,50)(H,51,52,53)",BSUVNQLYZGXYQY,UHFFFAOYSA,N,Phytosulfokine a,BSUVNQLYZGXYQY-UHFFFAOYSA-N
HMDB29810,718.182593324,C28H38N4O14S2,CCC(C)C(\N=C(/O)C(N)CC1=CC=C(OS(O)(=O)=O)C=C1)C(\O)=N\C(CC1=CC=C(OS(O)(=O)=O)C=C1)C(\O)=N\C(C(C)O)C(O)=O,"InChI=1S/C28H38N4O14S2/c1-4-15(2)23(31-25(34)21(29)13-17-5-9-19(10-6-17)45-47(39,40)41)27(36)30-22(26(35)32-24(16(3)33)28(37)38)14-18-7-11-20(12-8-18)46-48(42,43)44/h5-12,15-16,21-24,33H,4,13-14,29H2,1-3H3,(H,30,36)(H,31,34)(H,32,35)(H,37,38)(H,39,40,41)(H,42,43,44)",GOHLMBHZKWPJQG,UHFFFAOYSA,N,Phytosulfokine b,GOHLMBHZKWPJQG-UHFFFAOYSA-N
HMDB29811,284.271530396,C18H36O2,CCCCCCCCCCCCCCCC(=O)OCC,"InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3",XIRNKXNNONJFQO,UHFFFAOYSA,N,Ethyl hexadecanoate,XIRNKXNNONJFQO-UHFFFAOYSA-N
HMDB29812,610.153384912,C27H30O16,CC1OC(OC2C(O)C(O)C(CO)OC2C2=C(O)C=C(O)C3=C2OC(=C(O)C3=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O16/c1-7-16(33)19(36)22(39)27(40-7)43-26-20(37)17(34)13(6-28)41-25(26)15-12(32)5-11(31)14-18(35)21(38)23(42-24(14)15)8-2-3-9(29)10(30)4-8/h2-5,7,13,16-17,19-20,22,25-34,36-39H,6H2,1H3",HYFIMZNIMKDHBU,UHFFFAOYSA,N,Quercetin 8-C-(2''-rhamnosylglucoside),HYFIMZNIMKDHBU-UHFFFAOYSA-N
HMDB29813,566.163555668,C26H30O14,COC1=CC(=CC(O)=C1O)C12OC(C)(C(C1OC1OC(CO)C(O)C(O)C1O)C1=C(O)C=C(O)C=C1O2)C(C)=O,"InChI=1S/C26H30O14/c1-9(28)25(2)18-17-12(30)6-11(29)7-14(17)39-26(40-25,10-4-13(31)19(32)15(5-10)36-3)23(18)38-24-22(35)21(34)20(33)16(8-27)37-24/h4-7,16,18,20-24,27,29-35H,8H2,1-3H3",ADFRCNLBRJARNV,UHFFFAOYSA,N,5'-Hydroxycastavinol,ADFRCNLBRJARNV-UHFFFAOYSA-N
HMDB29814,580.179205732,C27H32O14,COC1=CC(=CC(OC)=C1O)C12OC(C)(C(C1OC1OC(CO)C(O)C(O)C1O)C1=C(O)C=C(O)C=C1O2)C(C)=O,"InChI=1S/C27H32O14/c1-10(29)26(2)19-18-13(31)7-12(30)8-14(18)40-27(41-26,11-5-15(36-3)20(32)16(6-11)37-4)24(19)39-25-23(35)22(34)21(33)17(9-28)38-25/h5-8,17,19,21-25,28,30-35H,9H2,1-4H3",DHJQGIFMZKHMDS,UHFFFAOYSA,N,5'-Methoxycastavinol,DHJQGIFMZKHMDS-UHFFFAOYSA-N
HMDB29815,386.354866094,C27H46O,[H][C@@]1(CCC2=C3CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23,25,28H,6-17H2,1-5H3/t19-,20+,21+,23-,25+,26+,27-/m1/s1",ONYPIMNXSARKFQ,NFTYELEKSA,N,Doristerol,ONYPIMNXSARKFQ-NFTYELEKSA-N
HMDB29816,300.245315646,C21H32O,CCC\C=C\C\C=C\CCCCCCCC1=CC=CC(O)=C1,"InChI=1S/C21H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h4-5,7-8,15,17-19,22H,2-3,6,9-14,16H2,1H3/b5-4+,8-7+",FAYVLNWNMNHXGA,AOSYACOCSA,N,Cardanoldiene,FAYVLNWNMNHXGA-AOSYACOCSA-N
HMDB29817,166.062994186,C9H10O3,CCOC(=O)C1=C(O)C=CC=C1,"InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3",GYCKQBWUSACYIF,UHFFFAOYSA,N,Ethyl salicylate,GYCKQBWUSACYIF-UHFFFAOYSA-N
HMDB29818,228.07864425,C14H12O3,OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2",ZCTQGTTXIYCGGC,UHFFFAOYSA,N,Benzyl salicylate,ZCTQGTTXIYCGGC-UHFFFAOYSA-N
HMDB29819,284.125988372,C14H20O6,OCC1OC(OCCC2=CC=CC=C2)C(O)C(O)C1O,"InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2",MLRIJUWUQTVDQE,UHFFFAOYSA,N,2-Phenylethyl beta-D-glucopyranoside,MLRIJUWUQTVDQE-UHFFFAOYSA-N
HMDB29820,192.151415262,C13H20O,CC(C)C1=CC=C(C)C(C(C)C)=C1O,"InChI=1S/C13H20O/c1-8(2)11-7-6-10(5)12(9(3)4)13(11)14/h6-9,14H,1-5H3",KEGGEHPMMDYTGB,UHFFFAOYSA,N,"2,6-Diisopropyl-3-methylphenol",KEGGEHPMMDYTGB-UHFFFAOYSA-N
HMDB29821,192.151415262,C13H20O,CC(C)C1=CC(O)=C(C=C1C)C(C)C,"InChI=1S/C13H20O/c1-8(2)11-7-13(14)12(9(3)4)6-10(11)5/h6-9,14H,1-5H3",UJBZHJNVIHOWFA,UHFFFAOYSA,N,"2,5-Diisopropyl-4-methylphenol",UJBZHJNVIHOWFA-UHFFFAOYSA-N
HMDB29822,192.151415262,C13H20O,CC(C)C1=CC(O)=C(C(C)C)C(C)=C1,"InChI=1S/C13H20O/c1-8(2)11-6-10(5)13(9(3)4)12(14)7-11/h6-9,14H,1-5H3",LQCZIRGCOVVBOQ,UHFFFAOYSA,N,"2,5-Diisopropyl-3-methylphenol",LQCZIRGCOVVBOQ-UHFFFAOYSA-N
HMDB29823,192.151415262,C13H20O,CC(C)C1=CC(C(C)C)=C(O)C=C1C,"InChI=1S/C13H20O/c1-8(2)11-7-12(9(3)4)13(14)6-10(11)5/h6-9,14H,1-5H3",NNSNIMZGXLISCO,UHFFFAOYSA,N,"2,4-Diisopropyl-5-methylphenol",NNSNIMZGXLISCO-UHFFFAOYSA-N
HMDB29824,192.151415262,C13H20O,CC(C)C1=C(C)C(C(C)C)=C(O)C=C1,"InChI=1S/C13H20O/c1-8(2)11-6-7-12(14)13(9(3)4)10(11)5/h6-9,14H,1-5H3",NAOSNNNYJHAZGY,UHFFFAOYSA,N,"2,4-Diisopropyl-3-methylphenol",NAOSNNNYJHAZGY-UHFFFAOYSA-N
HMDB29825,192.151415262,C13H20O,CC(C)C1=CC(C)=CC(O)=C1C(C)C,"InChI=1S/C13H20O/c1-8(2)11-6-10(5)7-12(14)13(11)9(3)4/h6-9,14H,1-5H3",VCHHFAUHGLYASU,UHFFFAOYSA,N,"2,3-Diisopropyl-5-methylphenol",VCHHFAUHGLYASU-UHFFFAOYSA-N
HMDB29826,307.084457909,C18H13NO4,CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(=C1)C(C)=O)C=C2O,"InChI=1S/C18H13NO4/c1-9(20)14-7-11-15(23-14)8-13(21)16-17(11)19(2)12-6-4-3-5-10(12)18(16)22/h3-8,21H,1-2H3",GZVRDNACRGJZNW,UHFFFAOYSA,N,Hallacridone,GZVRDNACRGJZNW-UHFFFAOYSA-N
HMDB29827,337.131408101,C20H19NO4,COC1=CC=CC2=C1N(C)C1=CC3=C(C=CC(C)(C)O3)C(O)=C1C2=O,"InChI=1S/C20H19NO4/c1-20(2)9-8-11-15(25-20)10-13-16(18(11)22)19(23)12-6-5-7-14(24-4)17(12)21(13)3/h5-10,22H,1-4H3",AUWXWUDANKEVNS,UHFFFAOYSA,N,Junosidine,AUWXWUDANKEVNS-UHFFFAOYSA-N
HMDB29828,223.157228921,C13H21NO2,CC1CC(=O)OC2(C1)CC1CCC2CN1C,"InChI=1S/C13H21NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h9-11H,3-8H2,1-2H3",KUBGFNFNLFGTGA,UHFFFAOYSA,N,Dihydrodioscorine,KUBGFNFNLFGTGA-UHFFFAOYSA-N
HMDB29829,259.157228921,C16H21NO2,CCC(=O)OCC\C=C\C=C/C1=NC(C)C=CC=C1,"InChI=1S/C16H21NO2/c1-3-16(18)19-13-9-5-4-6-11-15-12-8-7-10-14(2)17-15/h4-8,10-12,14H,3,9,13H2,1-2H3/b5-4+,11-6-",AWLYBJONQDYQAK,QTJNYWJXSA,N,Norchalciporyl propionate,AWLYBJONQDYQAK-QTJNYWJXSA-N
HMDB29830,366.121571696,C20H18N2O5,OC(=O)C(CC1=CNC2=C1C=CC=C2)NC(=O)\C=C\C1=CC(O)=C(O)C=C1,"InChI=1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+",XITPERBRJNUFSB,SOFGYWHQSA,N,N-Caffeoyltryptophan,XITPERBRJNUFSB-SOFGYWHQSA-N
HMDB29832,407.136887409,C23H21NO6,COC1=C(OC)C2=C(C=C1)C1=C(N(C)C2CC(O)=O)C2=CC3=C(OCO3)C=C2C=C1,"InChI=1S/C23H21NO6/c1-24-16(10-20(25)26)21-13(6-7-17(27-2)23(21)28-3)14-5-4-12-8-18-19(30-11-29-18)9-15(12)22(14)24/h4-9,16H,10-11H2,1-3H3,(H,25,26)",OZWQDEDYZWNLMM,UHFFFAOYSA,N,8-Carboxymethyldihydrochelerythrine,OZWQDEDYZWNLMM-UHFFFAOYSA-N
HMDB29833,357.105981211,C15H19NO9,OCC1OC(OC2=C(O)C=C3NC(CC3=C2)C(O)=O)C(O)C(O)C1O,"InChI=1S/C15H19NO9/c17-4-10-11(19)12(20)13(21)15(25-10)24-9-2-5-1-7(14(22)23)16-6(5)3-8(9)18/h2-3,7,10-13,15-21H,1,4H2,(H,22,23)",PXMFPPFHRQZIHO,UHFFFAOYSA,N,Cyclodopa glucoside,PXMFPPFHRQZIHO-UHFFFAOYSA-N
HMDB29834,184.100048394,C12H12N2,CC1=NCCC2=C1NC1=C2C=CC=C1,"InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3",CWOYLIJQLSNRRN,UHFFFAOYSA,N,Harmalan,CWOYLIJQLSNRRN-UHFFFAOYSA-N
HMDB29835,202.11061308,C12H14N2O,CC1NCCC2=C1NC1=C2C=CC(O)=C1,"InChI=1S/C12H14N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6-7,13-15H,4-5H2,1H3",AZTMWIPCEFFOJD,UHFFFAOYSA,N,Tetrahydroharmol,AZTMWIPCEFFOJD-UHFFFAOYSA-N
HMDB29836,186.115698458,C12H14N2,CN1CCC2=C(C1)NC1=C2C=CC=C1,"InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3",JOFKCNJIUXPJAC,UHFFFAOYSA,N,"1,2,3,4-Tetrahydro-2-methyl-b-carboline",JOFKCNJIUXPJAC-UHFFFAOYSA-N
HMDB29837,216.126263144,C13H16N2O,CN(CCC1=CNC2=CC=CC=C12)C(C)=O,"InChI=1S/C13H16N2O/c1-10(16)15(2)8-7-11-9-14-13-6-4-3-5-12(11)13/h3-6,9,14H,7-8H2,1-2H3",QXARHNVPFNXOJM,UHFFFAOYSA,N,Nb-Acetyl-Nb-methyltryptamine,QXARHNVPFNXOJM-UHFFFAOYSA-N
HMDB29838,200.094963016,C12H12N2O,CC1=NCCC2=C1NC1=C2C=CC(O)=C1,"InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3",RHVPEFQDYMMNSY,UHFFFAOYSA,N,Harmalol,RHVPEFQDYMMNSY-UHFFFAOYSA-N
HMDB29839,305.089937217,C15H15NO6,OC1COC2(O)C1OC(=O)C2(O)CC1=CNC2=CC=CC=C12,"InChI=1S/C15H15NO6/c17-11-7-21-15(20)12(11)22-13(18)14(15,19)5-8-6-16-10-4-2-1-3-9(8)10/h1-4,6,11-12,16-17,19-20H,5,7H2",OMSJCIOTCFHSIT,UHFFFAOYSA,N,Ascorbigen,OMSJCIOTCFHSIT-UHFFFAOYSA-N
HMDB29840,339.106649913,C14H17N3O7,NC(=O)CCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3+,16-4+",PDBJJFJKNSKTSW,SIABEIIVSA,N,Vulgaxanthin I,PDBJJFJKNSKTSW-SIABEIIVSA-N
HMDB29841,340.090665498,C14H16N2O8,OC(=O)CCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b7-3+,15-4+",POYIZOSTYKKRNT,XWKOYBCNSA,N,Vulgaxanthin II,POYIZOSTYKKRNT-XWKOYBCNSA-N
HMDB29842,211.048072403,C9H9NO5,OC(=O)C1C\C(=C\C=O)C=C(N1)C(O)=O,"InChI=1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1+",YQDKULBMDMPFLH,ORCRQEGFSA,N,Betalamic acid,YQDKULBMDMPFLH-ORCRQEGFSA-N
HMDB29843,822.403785936,C42H62O16,CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O,"InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)",LPLVUJXQOOQHMX,UHFFFAOYSA,N,Glycyrrhizin,LPLVUJXQOOQHMX-UHFFFAOYSA-N
HMDB29845,313.914297834,C6H4Na2O8S2,[Na+].[Na+].OC1=CC(=CC(=C1O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2",ISWQCIVKKSOKNN,UHFFFAOYSA,L,Chymopapain,ISWQCIVKKSOKNN-UHFFFAOYSA-L
HMDB29846,293.199093735,C17H27NO3,CCCCCCCCC(=O)NCC1=CC(OC)=C(O)C=C1,"InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)",RGOVYLWUIBMPGK,UHFFFAOYSA,N,Nonivamide,RGOVYLWUIBMPGK-UHFFFAOYSA-N
HMDB29847,540.46950192,C40H60,C\C(CCC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)CCC1=C(C)CCCC1(C)C,"InChI=1S/C40H60/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22H,15-16,23-30H2,1-10H3/b12-11+,19-13+,20-14+,31-17+,32-18+,33-21+,34-22+",WLDANTZNLIHXEE,ZKUOVEGJSA,N,"7,7',8,8'-Tetrahydro-beta,beta-carotene",WLDANTZNLIHXEE-ZKUOVEGJSA-N
HMDB29848,314.172938564,C16H26O6,CC(=C)[C@@H]1CC=C(C)[C@H](C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C16H26O6/c1-8(2)10-5-4-9(3)11(6-10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4,10-20H,1,5-7H2,2-3H3/t10-,11+,12-,13-,14+,15-,16-/m1/s1",IPOIBBMZOXJYFV,RMPHEQRESA,N,(-)-trans-Carveol glucoside,IPOIBBMZOXJYFV-RMPHEQRESA-N
HMDB29849,314.172938564,C16H26O6,CC(=C)[C@H]1CC=C(C)[C@@H](C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C16H26O6/c1-8(2)10-5-4-9(3)11(6-10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4,10-20H,1,5-7H2,2-3H3/t10-,11+,12+,13+,14-,15+,16+/m0/s1",IPOIBBMZOXJYFV,VLUPQUSQSA,N,(+)-trans-Carveol glucoside,IPOIBBMZOXJYFV-VLUPQUSQSA-N
HMDB29850,318.204238692,C16H30O6,CC(CCOC1OC(CO)C(O)C(O)C1O)CCC=C(C)C,"InChI=1S/C16H30O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,11-20H,4,6-9H2,1-3H3",BGAILLKFXBSPRD,UHFFFAOYSA,N,L-Citronellol glucoside,BGAILLKFXBSPRD-UHFFFAOYSA-N
HMDB29851,436.355260024,C27H48O4,CC(CO)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,"InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3",XJZGNVBLVFOSKJ,UHFFFAOYSA,N,27-Deoxy-5alpha-cyprinol,XJZGNVBLVFOSKJ-UHFFFAOYSA-N
HMDB29852,308.198759384,C18H28O4,CCCCCC(O)CC(=O)CCC1=CC=C(OC)C(OC)=C1,"InChI=1S/C18H28O4/c1-4-5-6-7-15(19)13-16(20)10-8-14-9-11-17(21-2)18(12-14)22-3/h9,11-12,15,19H,4-8,10,13H2,1-3H3",CTGAPJBPSCUFRO,UHFFFAOYSA,N,Methylgingerol,CTGAPJBPSCUFRO-UHFFFAOYSA-N
HMDB29853,558.480066606,C40H62O,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/C=C/C=C(/C)\C=C/C=C(\C)CC\C=C(/C)CCC1OC1(C)C,"InChI=1S/C40H62O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,15,18-20,23-26,29,39H,13-14,16-17,21-22,27-28,30-31H2,1-10H3/b12-11+,23-15-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+",URWDEZYCMUWBPQ,YOWDSOSNSA,N,"1,2-Epoxy-1,2,7,7',8,8',11,12-octahydro-psi,psi-carotene",URWDEZYCMUWBPQ-YOWDSOSNSA-N
HMDB29854,560.49571667,C40H64O,CC(C)CCC\C(C)=C\CC\C(C)=C\C=C/C(/C)=C\C=C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C,"InChI=1S/C40H64O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14,19-20,22,24-26,29,32,39H,13,15-18,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+",DAYCXLCMSBTHAA,RVWKVOMOSA,N,"1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene",DAYCXLCMSBTHAA-RVWKVOMOSA-N
HMDB29855,537.981056748,C20H14N2O10S3,OC1=C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C2=C(C=C(C=C2C=C1)S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C20H14N2O10S3/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/b22-21+",JZGWEIPJUAIDHM,QURGRASLSA,N,Cochineal Red A,JZGWEIPJUAIDHM-QURGRASLSA-N
HMDB29856,316.188588628,C16H28O6,CC1=CCC(CC1)C(C)(C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O6/c1-9-4-6-10(7-5-9)16(2,3)22-15-14(20)13(19)12(18)11(8-17)21-15/h4,10-15,17-20H,5-8H2,1-3H3",NZNWCYFBFHHMLM,UHFFFAOYSA,N,(S)-alpha-Terpinyl glucoside,NZNWCYFBFHHMLM-UHFFFAOYSA-N
HMDB29857,584.422945658,C40H56O3,C\C(\C=C\C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1)=C/C=C\C=C(/C)\C=C/C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1,"InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11-,18-13+,19-14-,28-16+,29-17+,30-20-,31-21-",KCYOZNARADAZIZ,IKRNEZJGSA,N,Cryptochrome,KCYOZNARADAZIZ-IKRNEZJGSA-N
HMDB29858,311.152143543,C19H21NO3,COC(C1C(C(O)C(=O)N1C)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H21NO3/c1-20-16(18(23-2)14-11-7-4-8-12-14)15(17(21)19(20)22)13-9-5-3-6-10-13/h3-12,15-18,21H,1-2H3",MNNOPIIJDXUZST,UHFFFAOYSA,N,Lansimide 3,MNNOPIIJDXUZST-UHFFFAOYSA-N
HMDB29859,170.13067982,C10H18O2,CCCCC\C=C/CC(=O)OC,"InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-8H,3-6,9H2,1-2H3/b8-7-",MTDCXFZGUVZRSQ,FPLPWBNLSA,N,Methyl (xi)-3-nonenoate,MTDCXFZGUVZRSQ-FPLPWBNLSA-N
HMDB29861,359.16451979,C19H22FN3O3,CCN1CCN(CC1)C1=CC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O,"InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)",SPFYMRJSYKOXGV,UHFFFAOYSA,N,Enrofloxacin,SPFYMRJSYKOXGV-UHFFFAOYSA-N
HMDB29862,166.09669435,C6H10N6,NC1=NC(NC2CC2)=NC(N)=N1,"InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)",LVQDKIWDGQRHTE,UHFFFAOYSA,N,Cyromazine,LVQDKIWDGQRHTE-UHFFFAOYSA-N
HMDB29863,370.323565966,C26H42O,CC(C)\C=C/C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C26H42O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-8,17-18,20-24,27H,9-16H2,1-5H3/b7-6-",BKWBRNDZAJHCMT,SREVYHEPSA,N,"(3beta,22E)-26,27-Dinorergosta-5,22-dien-3-ol",BKWBRNDZAJHCMT-SREVYHEPSA-N
HMDB29864,213.101445377,C11H11N5,CN1C(N)=NC2=C1C=CC1=C2N=C(C)C=N1,"InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)",DVCCCQNKIYNAKB,UHFFFAOYSA,N,"2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline",DVCCCQNKIYNAKB-UHFFFAOYSA-N
HMDB29865,162.031694053,C9H6O3,OC1=CC2=C(C=C1)C=CC(=O)O2,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",ORHBXUUXSCNDEV,UHFFFAOYSA,N,Umbelliferone,ORHBXUUXSCNDEV-UHFFFAOYSA-N
HMDB29866,340.13107375,C20H20O5,CC(C)=CCC1=CC(=CC=C1O)C1CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3",CGKWSLSAYABZTL,UHFFFAOYSA,N,"(S)-4',5,7-Trihydroxy-3'-prenylflavanone",CGKWSLSAYABZTL-UHFFFAOYSA-N
HMDB29867,208.109944378,C12H16O3,COC1=CC(\C=C\C)=CC(OC)=C1OC,"InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+",RRXOQHQFJOQLQR,AATRIKPKSA,N,Isoelemicin,RRXOQHQFJOQLQR-AATRIKPKSA-N
HMDB29868,426.167853186,C24H26O7,COC1=C(O)C=C2OC3=C(C(O)=C4CC(O)C(C)(C)OC4=C3)C(=O)C2=C1CC=C(C)C,"InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,18,25-27H,7-8H2,1-5H3",KCMPFWGUVNEDHW,UHFFFAOYSA,N,Mangostanol,KCMPFWGUVNEDHW-UHFFFAOYSA-N
HMDB29869,400.152203122,C22H24O7,CC(=O)OCC(CC1=CC2=C(OCO2)C=C1)C(CO)CC1=CC2=C(OCO2)C=C1,"InChI=1S/C22H24O7/c1-14(24)25-11-18(7-16-3-5-20-22(9-16)29-13-27-20)17(10-23)6-15-2-4-19-21(8-15)28-12-26-19/h2-5,8-9,17-18,23H,6-7,10-13H2,1H3",ZSECDNBADLTTJC,UHFFFAOYSA,N,Hemiariensin,ZSECDNBADLTTJC-UHFFFAOYSA-N
HMDB29870,286.084123558,C16H14O5,COC1=C(O)C=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C16H14O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-7,12,17-18H,8H2,1H3",YGHJHKYZTVTYQW,UHFFFAOYSA,N,"3',7-Dihydroxy-4'-methoxyisoflavanone",YGHJHKYZTVTYQW-UHFFFAOYSA-N
HMDB29871,634.0806139,C27H22O18,OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1O,"InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2",MBPYHNAWMKVREM,UHFFFAOYSA,N,Sanguiin H4,MBPYHNAWMKVREM-UHFFFAOYSA-N
HMDB29872,208.109944378,C12H16O3,COC1=CC(OC)=C(OC)C=C1CC=C,"InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3",AUNAUZZQBAIQFJ,UHFFFAOYSA,N,gamma-Asarone,AUNAUZZQBAIQFJ-UHFFFAOYSA-N
HMDB29873,167.069476547,C7H9N3O2,OC(=O)C1CC2=C(CN1)N=CN2,"InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)",YCFJXOFFQLPCHD,UHFFFAOYSA,N,(S)-Spinacine,YCFJXOFFQLPCHD-UHFFFAOYSA-N
HMDB29874,128.05857751,C5H8N2O2,NC(=O)N1CCCC1=O,"InChI=1S/C5H8N2O2/c6-5(9)7-3-1-2-4(7)8/h1-3H2,(H2,6,9)",XYVMBSCIEDOIJQ,UHFFFAOYSA,N,Squamolone,XYVMBSCIEDOIJQ-UHFFFAOYSA-N
HMDB29875,223.157228921,C13H21NO2,C\C=C(/C)C(=O)OC1CC2CCC(C1)N2C,"InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+",UVHGSMZRSVGWDJ,RUDMXATFSA,N,Tigloidine,UVHGSMZRSVGWDJ-RUDMXATFSA-N
HMDB29876,250.131742452,C13H18N2O3,NCCCC\N=C(/O)\C=C/C1=CC(O)=C(O)C=C1,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4-",KTZNZCYTXQYEHT,XQRVVYSFSA,N,Paucine,KTZNZCYTXQYEHT-XQRVVYSFSA-N
HMDB29877,548.116605476,C25H24O14,CC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C25H24O14/c1-8-21(36-9(2)26)24(37-10(3)27)20(34)25(35-8)39-23-19(33)17-13(29)6-12(28)7-16(17)38-22(23)11-4-14(30)18(32)15(31)5-11/h4-8,20-21,24-25,28-32,34H,1-3H3",HIVURPVQOPPNFN,UHFFFAOYSA,N,"Myricetin 3-(3'',4''-diacetylrhamnoside)",HIVURPVQOPPNFN-UHFFFAOYSA-N
HMDB29878,150.016437924,C4H6O6,O[C@@H]([C@H](O)C(O)=O)C(O)=O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1",FEWJPZIEWOKRBE,LWMBPPNESA,N,D-Tartaric acid,FEWJPZIEWOKRBE-LWMBPPNESA-N
HMDB29880,342.116211546,C12H22O11,OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2",HDTRYLNUVZCQOY,UHFFFAOYSA,N,Neotrehalose,HDTRYLNUVZCQOY-UHFFFAOYSA-N
HMDB29881,210.037567296,C6H10O8,OC(C(O)C(O)C(O)=O)C(O)C(O)=O,"InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)",DSLZVSRJTYRBFB,UHFFFAOYSA,N,D-Glucaric acid,DSLZVSRJTYRBFB-UHFFFAOYSA-N
HMDB29882,342.116211546,C12H22O11,OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6+,7+,8+,9-,10+,11+,12-/m1/s1",QIGJYVCQYDKYDW,TYBDYOQQSA,N,Sakebiose,QIGJYVCQYDKYDW-TYBDYOQQSA-N
HMDB29883,312.10564686,C11H20O10,OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O,"InChI=1S/C11H20O10/c12-1-4-6(15)7(16)9(10(18)20-4)21-11-8(17)5(14)3(13)2-19-11/h3-18H,1-2H2",BUEBVQCTEJTADB,UHFFFAOYSA,N,Sambubiose,BUEBVQCTEJTADB-UHFFFAOYSA-N
HMDB29884,132.042258744,C5H8O4,CC1(O)C(O)COC1=O,"InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3",OHTGZAWPVDWARE,UHFFFAOYSA,N,"2-C-Methyl-1,4-erythrono-D-lactone",OHTGZAWPVDWARE-UHFFFAOYSA-N
HMDB29885,346.23553882,C18H34O6,CCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,"InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3",LWZFANDGMFTDAV,UHFFFAOYSA,N,Sorbitan laurate,LWZFANDGMFTDAV-UHFFFAOYSA-N
HMDB29886,428.31378914,C24H44O6,CCCCCCCC\C=C\CCCCCCCC(=O)OCC(O)C1OCC(O)C1O,"InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9+",NWGKJDSIEKMTRX,MDZDMXLPSA,N,Sorbitan oleate,NWGKJDSIEKMTRX-MDZDMXLPSA-N
HMDB29887,402.298139076,C22H42O6,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,"InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3",IYFATESGLOUGBX,UHFFFAOYSA,N,Sorbitan palmitate,IYFATESGLOUGBX-UHFFFAOYSA-N
HMDB29888,430.329439204,C24H46O6,CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,"InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3",HVUMOYIDDBPOLL,UHFFFAOYSA,N,Sorbitan stearate,HVUMOYIDDBPOLL-UHFFFAOYSA-N
HMDB29889,956.804420432,C60H108O8,CCCCCCCC\C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC\C=C\CCCCCCCC)C1OCC(O)C1OC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1S/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+",PRXRUNOAOLTIEF,WUOFIQDXSA,N,Sorbitan trioleate,PRXRUNOAOLTIEF-WUOFIQDXSA-N
HMDB29890,962.851370624,C60H114O8,CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)C1OCC(O)C1OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3",IJCWFDPJFXGQBN,UHFFFAOYSA,N,Sorbitan tristearate,IJCWFDPJFXGQBN-UHFFFAOYSA-N
HMDB29891,306.095082174,C12H18O9,CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O,"InChI=1S/C12H18O9/c1-5(13)18-4-8-9(16)10(19-6(2)14)11(12(17)21-8)20-7(3)15/h8-12,16-17H,4H2,1-3H3",LFSNZQYOCQSGEL,UHFFFAOYSA,N,Starch acetate,LFSNZQYOCQSGEL-UHFFFAOYSA-N
HMDB29892,974.508644936,C48H78O20,CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(O)C(C)(CO)C7C(O)CC6(C)C4(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O,"InChI=1S/C48H78O20/c1-20-28(53)30(55)33(58)40(64-20)67-36-25(17-49)65-39(35(60)32(36)57)63-18-26-29(54)31(56)34(59)41(66-26)68-42(62)48-12-10-43(2,3)14-22(48)21-8-9-27-44(4)15-24(52)38(61)45(5,19-50)37(44)23(51)16-47(27,7)46(21,6)11-13-48/h8,20,22-41,49-61H,9-19H2,1-7H3",NNWMHSNRRWMMBI,UHFFFAOYSA,N,Asiaticoside B,NNWMHSNRRWMMBI-UHFFFAOYSA-N
HMDB29893,678.200729034,C28H38O19,CC(=O)OCC1OC(COC(C)=O)(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3",ZIJKGAXBCRWEOL,UHFFFAOYSA,N,Sucrose octaacetate,ZIJKGAXBCRWEOL-UHFFFAOYSA-N
HMDB29894,282.095082174,C10H18O9,O[C@@H]1CO[C@@H](O[C@H]2COC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4+,5+,6+,7-,8-,9?,10+/m1/s1",LGQKSQQRKHFMLI,BIDIDBDVSA,N,Xylobiose,LGQKSQQRKHFMLI-BIDIDBDVSA-N
HMDB29895,253.081103865,C9H11N5O4,NC1=NC=NC2=C1N=CN2CC(O)C(O)C(O)=O,"InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)",LIEMBEWXEZJEEZ,UHFFFAOYSA,N,D-erythro-Eritadenine,LIEMBEWXEZJEEZ-UHFFFAOYSA-N
HMDB29896,584.422945658,C40H56O3,C\C(\C=C\C=C(/C)\C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C40H56O3/c1-30(18-13-20-32(3)22-26-39-35(5,6)24-15-25-37(39,9)42-39)16-11-12-17-31(2)19-14-21-33(4)23-27-40-36(7,8)28-34(41)29-38(40,10)43-40/h11-14,16-23,26-27,34,41H,15,24-25,28-29H2,1-10H3/b12-11+,18-13+,19-14+,26-22+,27-23+,30-16+,31-17+,32-20+,33-21+",ONQKWANDXQNLEJ,CGYYJCQDSA,N,Cryptoxanthin diepoxide,ONQKWANDXQNLEJ-CGYYJCQDSA-N
HMDB29897,312.10564686,C11H20O10,OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2",QYNRIDLOTGRNML,UHFFFAOYSA,N,Serotinose,QYNRIDLOTGRNML-UHFFFAOYSA-N
HMDB29898,342.116211546,C12H22O11,OC[C@H]1O[C@](O)(CO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1",WOHYVFWWTVNXTP,TWOHWVPZSA,N,Inulobiose,WOHYVFWWTVNXTP-TWOHWVPZSA-N
HMDB29900,427.147846025,C19H25NO10,OC1COC(OCC2OC(OC(C#N)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2",YYYCJNDALLBNEG,UHFFFAOYSA,N,Lucuminoside,YYYCJNDALLBNEG-UHFFFAOYSA-N
HMDB29901,210.073952802,C7H14O7,OCC1OC(O)(CO)C(O)C(O)C1O,"InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2",HAIWUXASLYEWLM,UHFFFAOYSA,N,L-Galacto-2-heptulose,HAIWUXASLYEWLM-UHFFFAOYSA-N
HMDB29902,342.116211546,C12H22O11,OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2",GUBGYTABKSRVRQ,UHFFFAOYSA,N,Galabiose,GUBGYTABKSRVRQ-UHFFFAOYSA-N
HMDB29903,616.142820226,C29H28O15,OC(=O)CCC(=O)OC1C(CC(O)(CC1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O)OC(=O)\C=C\C1=CC(O)=C(O)C=C1,"InChI=1S/C29H28O15/c30-17-5-1-15(11-19(17)32)3-8-24(36)42-21-13-29(41,28(39)40)14-22(27(21)44-26(38)10-7-23(34)35)43-25(37)9-4-16-2-6-18(31)20(33)12-16/h1-6,8-9,11-12,21-22,27,30-33,41H,7,10,13-14H2,(H,34,35)(H,39,40)/b8-3+,9-4+",DNZQDZDGNZZGCU,BQYBEJQRSA,N,"3,5-Dicaffeoyl-4-succinoylquinic acid",DNZQDZDGNZZGCU-BQYBEJQRSA-N
HMDB29904,438.167853186,C25H26O7,CC(C)(O)CCC1=C(O)C2=C(OC=C(C2=O)C2=CC=C3OC(C)(C)C=CC3=C2O)C=C1O,"InChI=1S/C25H26O7/c1-24(2,30)9-7-14-17(26)11-19-20(22(14)28)23(29)16(12-31-19)13-5-6-18-15(21(13)27)8-10-25(3,4)32-18/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3",SBSQRDFJISUOGV,UHFFFAOYSA,N,Kanzonol T,SBSQRDFJISUOGV-UHFFFAOYSA-N
HMDB29905,450.167853186,C26H26O7,COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C1=C2C(C3)C(C)(C)OC2=C(O)C(CC=C(C)C)=C1O,"InChI=1S/C26H26O7/c1-11(2)6-7-13-21(28)20-18-15(26(3,4)33-25(18)23(13)30)10-14-22(29)19-16(27)8-12(31-5)9-17(19)32-24(14)20/h6,8-9,15,27-28,30H,7,10H2,1-5H3",WGHQJSXSGKUCQL,UHFFFAOYSA,N,Artonin T,WGHQJSXSGKUCQL-UHFFFAOYSA-N
HMDB29906,1726.855309924,C82H134O38,CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C1O,"InChI=1S/C82H134O38/c1-13-81(11,119-79-71(63(99)56(92)49(34-85)112-79)117-75-65(101)59(95)54(90)47(32-83)110-75)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-74-68(104)69(53(89)45(10)108-74)116-77-67(103)61(97)58(94)51(114-77)37-107-78-70(62(98)52(88)44(9)109-78)115-73(105)43(8)31-46(87)30-41(6)24-16-22-40(5)27-19-29-82(12,14-2)120-80-72(64(100)57(93)50(35-86)113-80)118-76-66(102)60(96)55(91)48(33-84)111-76/h13-14,20,24-27,31,44-72,74-80,83-104H,1-2,15-19,21-23,28-30,32-37H2,3-12H3/b38-20+,39-26+,40-27+,41-24+,42-25-,43-31+",AWBYFCMZVKGNSB,RPQRBYGFSA,N,Capsianoside C,AWBYFCMZVKGNSB-RPQRBYGFSA-N
HMDB29907,1710.860395302,C82H134O37,CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(OC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C1O,"InChI=1S/C82H134O37/c1-13-81(11,118-79-71(63(98)56(91)49(35-85)111-79)116-75-65(100)59(94)54(89)47(33-83)109-75)31-19-28-41(5)23-15-21-39(3)25-17-27-43(7)37-105-74-68(103)69(53(88)46(10)107-74)115-77-67(102)61(96)58(93)51(113-77)38-106-78-70(62(97)52(87)45(9)108-78)114-73(104)44(8)30-18-26-40(4)22-16-24-42(6)29-20-32-82(12,14-2)119-80-72(64(99)57(92)50(36-86)112-80)117-76-66(101)60(95)55(90)48(34-84)110-76/h13-14,21-22,27-30,45-72,74-80,83-103H,1-2,15-20,23-26,31-38H2,3-12H3/b39-21+,40-22+,41-28+,42-29+,43-27-,44-30+",UXMODMFPEVZYRG,JZKHGTLTSA,N,Capsianoside E,UXMODMFPEVZYRG-JZKHGTLTSA-N
HMDB29908,620.174120354,C29H32O15,CC1OC(OC2C(COC(C)=O)OC(OC3=CC(O)=CC4=C3C(=O)C=C(O4)C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C29H32O15/c1-11-22(34)23(35)25(37)28(40-11)44-27-20(10-39-12(2)30)43-29(26(38)24(27)36)42-19-8-15(32)7-18-21(19)16(33)9-17(41-18)13-3-5-14(31)6-4-13/h3-9,11,20,22-29,31-32,34-38H,10H2,1-2H3",RHJULGLSOARXMO,UHFFFAOYSA,N,Camellianin A,RHJULGLSOARXMO-UHFFFAOYSA-N
HMDB29909,458.178811802,C21H30O11,COC1=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C=CC(CC=C)=C1,"InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3",FSCNUJMKSQHQSY,UHFFFAOYSA,N,Gein,FSCNUJMKSQHQSY-UHFFFAOYSA-N
HMDB29910,504.169034976,C18H32O16,OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2",FBJQEBRMDXPWNX,UHFFFAOYSA,N,Gentiotriose,FBJQEBRMDXPWNX-UHFFFAOYSA-N
HMDB29911,344.13186161,C12H24O11,OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2",SERLAGPUMNYUCK,UHFFFAOYSA,N,1-O-alpha-D-Glucopyranosyl-D-mannitol,SERLAGPUMNYUCK-UHFFFAOYSA-N
HMDB29913,303.095416525,C12H17NO8,OCC1OC(OC2(C=CC(O)C2O)C#N)C(O)C(O)C1O,"InChI=1S/C12H17NO8/c13-4-12(2-1-5(15)10(12)19)21-11-9(18)8(17)7(16)6(3-14)20-11/h1-2,5-11,14-19H,3H2",HASDUOHKNMHNJA,UHFFFAOYSA,N,Gynocardin,HASDUOHKNMHNJA-UHFFFAOYSA-N
HMDB29914,287.100501903,C12H17NO7,OCC1OC(OC2(CC(O)C=C2)C#N)C(O)C(O)C1O,"InChI=1S/C12H17NO7/c13-5-12(2-1-6(15)3-12)20-11-10(18)9(17)8(16)7(4-14)19-11/h1-2,6-11,14-18H,3-4H2",JRCWYCAEAZEYNW,UHFFFAOYSA,N,Tetraphyllin B,JRCWYCAEAZEYNW-UHFFFAOYSA-N
HMDB29915,194.07903818,C7H14O6,CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6-,7-/m1/s1",DSCFFEYYQKSRSV,HYBKHIPXSA,N,D-4-O-Methyl-myo-inositol,DSCFFEYYQKSRSV-HYBKHIPXSA-N
HMDB29916,194.07903818,C7H14O6,CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6-,7-/m1/s1",DSCFFEYYQKSRSV,HYBKHIPXSA,N,4-O-Methyl-myo-inositol,DSCFFEYYQKSRSV-HYBKHIPXSA-N
HMDB29917,340.100561482,C12H20O11,COC1C(O)C(O)C(OC2C(O)OC(CO)C2O)OC1C(O)=O,"InChI=1S/C12H20O11/c1-20-7-5(15)6(16)12(23-9(7)10(17)18)22-8-4(14)3(2-13)21-11(8)19/h3-9,11-16,19H,2H2,1H3,(H,17,18)",YCJXYWPWBLPNQR,UHFFFAOYSA,N,2-O-(4-O-Methyl-a-D-glucopyranuronosyl)-D-xylose,YCJXYWPWBLPNQR-UHFFFAOYSA-N
HMDB29918,282.095082174,C10H18O9,OCC1OC(OC2C(O)C(O)OC2CO)C(O)C1O,"InChI=1S/C10H18O9/c11-1-3-5(13)6(14)10(18-3)19-8-4(2-12)17-9(16)7(8)15/h3-16H,1-2H2",ODBYQUUVPXHMFN,UHFFFAOYSA,N,Arabinofuranobiose,ODBYQUUVPXHMFN-UHFFFAOYSA-N
HMDB29919,342.116211546,C12H22O11,OCC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(=O)CO,"InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h5-15,17-21H,1-3H2",DXALOGXSFLZLLN,UHFFFAOYSA,N,Maltulose,DXALOGXSFLZLLN-UHFFFAOYSA-N
HMDB29920,300.070598758,C10H12N4O7,OCC1OC(C(O)C1O)N1C2=C(N=C(O)N2)C(O)=NC1=O,"InChI=1S/C10H12N4O7/c15-1-2-4(16)5(17)8(21-2)14-6-3(11-9(19)12-6)7(18)13-10(14)20/h2,4-5,8,15-17H,1H2,(H2,11,12,19)(H,13,18,20)",MFGPUMDDJCTHOI,UHFFFAOYSA,N,beta-D-3-Ribofuranosyluric acid,MFGPUMDDJCTHOI-UHFFFAOYSA-N
HMDB29921,504.169034976,C18H32O16,OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-6-10(24)14(28)17(4-21,32-6)30-3-8-9(23)12(26)13(27)16(31-8)34-18(5-22)15(29)11(25)7(2-20)33-18/h6-16,19-29H,1-5H2",HQFMTRMPFIZQJF,UHFFFAOYSA,N,Neokestose,HQFMTRMPFIZQJF-UHFFFAOYSA-N
HMDB29922,504.169034976,C18H32O16,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2",DBTMGCOVALSLOR,UHFFFAOYSA,N,Galactotriose,DBTMGCOVALSLOR-UHFFFAOYSA-N
HMDB29923,1016.253898918,C36H58O29P2,CC(=O)OCC1OC(OC2C(O)C(CP)OC(CO)C2OC2OC(CO)C(OP)C(O)C2O)C(OC2OC(C(OC3OC4COC(C)(OC4C(O)C3O)C(O)=O)C(O)C2O)C(O)=O)C(O)C1O,"InChI=1S/C36H58O29P2/c1-8(39)53-5-11-14(40)16(42)28(34(57-11)61-26-15(41)13(7-66)55-10(4-38)25(26)59-31-21(47)18(44)24(65-67)9(3-37)56-31)62-33-22(48)19(45)27(29(63-33)30(49)50)60-32-20(46)17(43)23-12(58-32)6-54-36(2,64-23)35(51)52/h9-29,31-34,37-38,40-48H,3-7,66-67H2,1-2H3,(H,49,50)(H,51,52)",KCOUXTVJDWNYJS,UHFFFAOYSA,N,Xanthan,KCOUXTVJDWNYJS-UHFFFAOYSA-N
HMDB29924,1810.642870126,C76H114O49,OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O.CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCC(=O)OCC1OC(OC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC1OC(COC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC,"InChI=1S/C36H54O19.C28H38O19.C12H22O11/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-5;1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33;13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h19-20,29-36H,9-18H2,1-8H3;19-28H,9-10H2,1-8H3;3-20H,1-2H2",HKQOBOMRSSHSTC,UHFFFAOYSA,N,Cellulose acetate,HKQOBOMRSSHSTC-UHFFFAOYSA-N
HMDB29925,454.241412058,C20H38O11,COCC1O[C@@H](O[C@@H]2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC,"InChI=1S/C20H38O11/c1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h11-20H,9-10H2,1-8H3/t11?,12?,13?,14-,15?,16?,17?,18?,19?,20+/m1/s1",YLGXILFCIXHCMC,JHGZEJCSSA,N,Methyl cellulose,YLGXILFCIXHCMC-JHGZEJCSSA-N
HMDB29926,1134.36976401,C42H70O35,OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O,"InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2",WHGYBXFWUBPSRW,UHFFFAOYSA,N,Betadex,WHGYBXFWUBPSRW-UHFFFAOYSA-N
HMDB29927,1296.42258744,C48H80O40,OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CO)OC(OC1C(O)C2O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O,"InChI=1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2",GDSRMADSINPKSL,UHFFFAOYSA,N,gamma-Cyclodextrin,GDSRMADSINPKSL-UHFFFAOYSA-N
HMDB29928,237.086189243,C9H11N5O3,NC1=C2N=CN(CCC(O)C(O)=O)C2=NC=N1,"InChI=1S/C9H11N5O3/c10-7-6-8(12-3-11-7)14(4-13-6)2-1-5(15)9(16)17/h3-5,15H,1-2H2,(H,16,17)(H2,10,11,12)",NWPWVFAEENVVJM,UHFFFAOYSA,N,Deoxyeritadenine,NWPWVFAEENVVJM-UHFFFAOYSA-N
HMDB29929,504.169034976,C18H32O16,OCC1OC(OCC2OC(O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2",OMDQUFIYNPYJFM,UHFFFAOYSA,N,6-O-Glucosylmaltose,OMDQUFIYNPYJFM-UHFFFAOYSA-N
HMDB29930,504.169034976,C18H32O16,OCC1OC(CO)(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-5-8(23)10(25)12(27)16(30-5)32-14-7(3-21)31-17(13(28)11(14)26)34-18(4-22)15(29)9(24)6(2-20)33-18/h5-17,19-29H,1-4H2",FVVCFHXLWDDRHG,UHFFFAOYSA,N,beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside,FVVCFHXLWDDRHG-UHFFFAOYSA-N
HMDB29931,666.221858406,C24H42O21,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@H](O)[C@H](O[C@@H]4[C@H](O)[C@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16+,17-,18+,19-,20-,21-,22+,23+,24+/m1/s1",LUEWUZLMQUOBSB,GFVSVBBRSA,N,Mannan,LUEWUZLMQUOBSB-GFVSVBBRSA-N
HMDB29932,178.047738052,C6H10O6,[H]C(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,4-6,8,10-12H,2H2/t4-,5-,6-/m1/s1",DCNMIDLYWOTSGK,HSUXUTPPSA,N,D-Arabino-hexos-2-ulose,DCNMIDLYWOTSGK-HSUXUTPPSA-N
HMDB29933,342.116211546,C12H22O11,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11-,12+/m1/s1",GUBGYTABKSRVRQ,PZPXDAEZSA,N,Mannobiose,GUBGYTABKSRVRQ-PZPXDAEZSA-N
HMDB29934,162.05282343,C6H10O5,CC(=O)C1(O)OCC(O)C1O,"InChI=1S/C6H10O5/c1-3(7)6(10)5(9)4(8)2-11-6/h4-5,8-10H,2H2,1H3",DTUGXZBPWDHASD,UHFFFAOYSA,N,"D-1-Deoxy-erythro-hexo-2,3-diulose",DTUGXZBPWDHASD-UHFFFAOYSA-N
HMDB29935,210.073952802,C7H14O7,OCC1OC(O)(CO)C(O)C(O)C1O,"InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2",HAIWUXASLYEWLM,UHFFFAOYSA,N,D-Manno-2-heptulose,HAIWUXASLYEWLM-UHFFFAOYSA-N
HMDB29936,174.149403889,C9H20NO2,CC1OC(C[N+](C)(C)C)CC1O,"InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1",UQOFGTXDASPNLL,UHFFFAOYSA,N,"(2S,4R,5S)-Muscarine",UQOFGTXDASPNLL-UHFFFAOYSA-N
HMDB29937,504.169034976,C18H32O16,OCC1OC(OCC2OC(OC3C(O)C(O)C(O)OC3CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2",OWEGMIWEEQEYGQ,UHFFFAOYSA,N,Panose,OWEGMIWEEQEYGQ-UHFFFAOYSA-N
HMDB29938,356.095476104,C12H20O12,OC1OC(COC2OC(C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C12H20O12/c13-3-2(23-11(21)7(17)4(3)14)1-22-12-8(18)5(15)6(16)9(24-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20)",YOOPHLDCWPOWDX,UHFFFAOYSA,N,Acaciabiuronic acid,YOOPHLDCWPOWDX-UHFFFAOYSA-N
HMDB29939,207.075624557,C8H9N5O2,NC1=NC=NC2=C1N=CN2CCC(O)=O,"InChI=1S/C8H9N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)2-1-5(14)15/h3-4H,1-2H2,(H,14,15)(H2,9,10,11)",QXAYJKFBMWMARF,UHFFFAOYSA,N,6-Amino-9H-purine-9-propanoic acid,QXAYJKFBMWMARF-UHFFFAOYSA-N
HMDB29940,418.042999128,C12H20O12P2,OC1C(O)C(OC2C(O)C(O)C(OP)OC2C(O)=O)OC(C1P)C(O)=O,"InChI=1S/C12H20O12P2/c13-1-3(15)12(24-26)22-6(9(17)18)5(1)21-11-4(16)2(14)8(25)7(23-11)10(19)20/h1-8,11-16H,25-26H2,(H,17,18)(H,19,20)",FHVDTGUDJYJELY,UHFFFAOYSA,N,Alginic acid,FHVDTGUDJYJELY-UHFFFAOYSA-N
HMDB29941,150.05282343,C5H10O5,OCC1(O)COC(O)C1O,"InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2",ASNHGEVAWNWCRQ,UHFFFAOYSA,N,D-Apiose,ASNHGEVAWNWCRQ-UHFFFAOYSA-N
HMDB29942,150.05282343,C5H10O5,OC[C@@H](O)[C@@H](O)[C@H](O)C=O,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1",PYMYPHUHKUWMLA,WDCZJNDASA,N,Arabinose,PYMYPHUHKUWMLA-WDCZJNDASA-N
HMDB29943,272.089602866,C12H16O7,OCC1OC(OC2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",BJRNKVDFDLYUGJ,UHFFFAOYSA,N,Arbutin,BJRNKVDFDLYUGJ-UHFFFAOYSA-N
HMDB29944,263.064116397,C9H13NO8,OC1COC(O)(C1O)C1(O)CC(N=C1O)C(O)=O,"InChI=1S/C9H13NO8/c11-4-2-18-9(17,5(4)12)8(16)1-3(6(13)14)10-7(8)15/h3-5,11-12,16-17H,1-2H2,(H,10,15)(H,13,14)",FLVJBXHFHKVHJN,UHFFFAOYSA,N,Ascorbalamic acid,FLVJBXHFHKVHJN-UHFFFAOYSA-N
HMDB29948,714.190116872,C24H44O20P2,OCC1OC(OCC2OC(OC3C(O)C(P)OC(CO)C3O)C(O)C(OC3OC(CO)C(O)C(OP)C3O)C2O)C(O)C(O)C1O,"InChI=1S/C24H44O20P2/c25-1-5-9(28)13(32)14(33)21(38-5)37-4-8-12(31)18(42-23-16(35)20(44-46)11(30)6(2-26)39-23)15(34)22(40-8)43-19-10(29)7(3-27)41-24(45)17(19)36/h5-36H,1-4,45-46H2",FEBUJFMRSBAMES,UHFFFAOYSA,N,Scleroglucan,FEBUJFMRSBAMES-UHFFFAOYSA-N
HMDB29949,436.278466266,C20H40N2O8,CC(C)N(C(C)C)C(N(C(C)C)C(C)C)C(=O)OCC(O)C(O)C(O)C(O)C(O)=O,"InChI=1S/C20H40N2O8/c1-10(2)21(11(3)4)18(22(12(5)6)13(7)8)20(29)30-9-14(23)15(24)16(25)17(26)19(27)28/h10-18,23-26H,9H2,1-8H3,(H,27,28)",RVSTWRHIGKXTLG,UHFFFAOYSA,N,Pangamic acid,RVSTWRHIGKXTLG-UHFFFAOYSA-N
HMDB29950,938.102531132,C41H30O26,OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC(C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)64-33-23-9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(8-22(49)30(54)32(25)56)40(61)65-34(33)35(66-37(58)11-3-17(44)27(51)18(45)4-11)41(63-23)67-38(59)12-5-19(46)28(52)20(47)6-12/h1-8,23,33-35,41-56H,9H2",DPBVYZVSXAZMAY,UHFFFAOYSA,N,Punicafolin,DPBVYZVSXAZMAY-UHFFFAOYSA-N
HMDB29951,1102.447700938,C52H78O21S2,CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C=C,"InChI=1S/C52H78O21S2/c1-9-10-13-48(4,54)47-27(3)18-36-35(68-47)24-43-52(8,71-36)46(53)45-39(67-43)22-38-44(69-45)26(2)11-14-50(6)41(66-38)25-40-51(7,73-50)15-12-28-29(65-40)19-31-30(62-28)20-32-33(63-31)21-37-34(64-32)23-42(72-75(58,59)60)49(5,70-37)16-17-61-74(55,56)57/h9-10,13,26,28-47,53-54H,1,3,11-12,14-25H2,2,4-8H3,(H,55,56,57)(H,58,59,60)/b13-10+",LYPGDVMEINTKTH,JLHYYAGUSA,N,"45,46,47-Trinoryessotoxin",LYPGDVMEINTKTH-JLHYYAGUSA-N
HMDB29952,210.073952802,C7H14O7,OCC(O)C1OC(O)C(O)C(O)C1O,"InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2",BGWQRWREUZVRGI,UHFFFAOYSA,N,D-altro-D-manno-Heptose,BGWQRWREUZVRGI-UHFFFAOYSA-N
HMDB29953,242.100167552,C8H18O8,OCC(O)C(O)C(O)C(O)C(O)C(O)CO,"InChI=1S/C8H18O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3-16H,1-2H2",DRDSDQVQSRICML,UHFFFAOYSA,N,D-erythro-D-galacto-octitol,DRDSDQVQSRICML-UHFFFAOYSA-N
HMDB29954,240.084517488,C8H16O8,OCC(O)C1OC(O)(CO)C(O)C(O)C1O,"InChI=1S/C8H16O8/c9-1-3(11)6-4(12)5(13)7(14)8(15,2-10)16-6/h3-7,9-15H,1-2H2",HYWDXGGHANXDIV,UHFFFAOYSA,N,D-glycero-L-galacto-Octulose,HYWDXGGHANXDIV-UHFFFAOYSA-N
HMDB29955,270.095082174,C9H18O9,OCC(O)C(O)C1OC(O)(CO)C(O)C(O)C1O,"InChI=1S/C9H18O9/c10-1-3(12)4(13)7-5(14)6(15)8(16)9(17,2-11)18-7/h3-8,10-17H,1-2H2",USEZWDIVUDJKCA,UHFFFAOYSA,N,D-erythro-L-galacto-Nonulose,USEZWDIVUDJKCA-UHFFFAOYSA-N
HMDB29956,252.085854892,C10H12N4O4,OCC1OC(C(O)C1O)N1C=NC2=C1N=CN=C2,"InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2",MRWXACSTFXYYMV,UHFFFAOYSA,N,Nebularine,MRWXACSTFXYYMV-UHFFFAOYSA-N
HMDB29957,578.454639716,C35H62O6,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O6/c1-3-4-5-6-7-11-14-17-20-29(36)31-22-24-33(40-31)34-25-23-32(41-34)30(37)21-18-15-12-9-8-10-13-16-19-28-26-27(2)39-35(28)38/h26-27,29-34,36-37H,3-25H2,1-2H3",QAVQPBYIAQGAIO,UHFFFAOYSA,N,Squamocin K,QAVQPBYIAQGAIO-UHFFFAOYSA-N
HMDB29958,622.480854466,C37H66O7,CCCCCCC(O)CCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3",DAEFUOXKPZLQMM,UHFFFAOYSA,N,Asitribin,DAEFUOXKPZLQMM-UHFFFAOYSA-N
HMDB29959,606.485939844,C37H66O6,CCCCCCCCCC\C=C/CCC(O)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-33(39)35-26-27-36(43-35)34(40)25-22-19-16-13-12-14-17-20-23-32(38)29-31-28-30(2)42-37(31)41/h15,18,28,30,32-36,38-40H,3-14,16-17,19-27,29H2,1-2H3/b18-15-",OZWNHDYKRQUFSF,SDXDJHTJSA,N,Asiminenin A,OZWNHDYKRQUFSF-SDXDJHTJSA-N
HMDB29960,578.454639716,C35H62O6,CCCCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-14-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34,36-37H,3-24,26H2,1-2H3",ICSXGOKNISTZTO,UHFFFAOYSA,N,Asimilobin,ICSXGOKNISTZTO-UHFFFAOYSA-N
HMDB29961,612.460119024,C35H64O8,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCC(O)C(O)CCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-19-31(39)33-22-23-34(43-33)32(40)21-16-20-30(38)29(37)18-15-12-13-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3",LPDLLEWSLYZCOC,UHFFFAOYSA,N,Annomuricin A,LPDLLEWSLYZCOC-UHFFFAOYSA-N
HMDB29962,638.475769088,C37H66O8,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-9-13-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-15-14-17-29(38)16-11-10-12-18-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3",QFFLFGFTHVFFDL,UHFFFAOYSA,N,Annoglaucin,QFFLFGFTHVFFDL-UHFFFAOYSA-N
HMDB29963,638.475769088,C37H66O8,CCCCCCCCCC(O)CCCCC(O)C1CCC(O1)C(O)CCCCC(=O)CCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-10-17-30(38)19-13-15-22-33(41)35-24-25-36(45-35)34(42)23-16-14-20-31(39)18-11-9-12-21-32(40)27-29-26-28(2)44-37(29)43/h26,28,30,32-36,38,40-42H,3-25,27H2,1-2H3",NLPWJBKRWNLGRG,UHFFFAOYSA,N,Muricatin C,NLPWJBKRWNLGRG-UHFFFAOYSA-N
HMDB29964,612.460119024,C35H64O8,CCCCCCCCCC(O)CCCCC(O)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-10-15-28(36)16-13-14-19-31(38)32(39)21-22-33(40)34-23-20-30(43-34)18-12-9-11-17-29(37)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3",PUEQYPBAQMXBCO,UHFFFAOYSA,N,Muricatin A,PUEQYPBAQMXBCO-UHFFFAOYSA-N
HMDB29965,194.07903818,C7H14O6,COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3",HOVAGTYPODGVJG,UHFFFAOYSA,N,Methyl beta-D-glucopyranoside,HOVAGTYPODGVJG-UHFFFAOYSA-N
HMDB29966,612.460119024,C35H64O8,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CC(O)CCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)33-21-22-34(43-33)32(40)20-19-30(38)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3",QAIKIRDKCUWJQV,UHFFFAOYSA,N,Muricatocin B,QAIKIRDKCUWJQV-UHFFFAOYSA-N
HMDB29967,612.460119024,C35H64O8,CCCCCCCCCCCCCC(O)C(O)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-16-19-31(38)34(40)32(39)22-21-30(37)33-23-20-29(43-33)18-15-13-14-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3",FGCDKPLSSBIFSL,UHFFFAOYSA,N,Muricatin B,FGCDKPLSSBIFSL-UHFFFAOYSA-N
HMDB29968,208.094688244,C8H16O6,CCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3",WYUFTYLVLQZQNH,UHFFFAOYSA,N,Ethyl beta-D-glucopyranoside,WYUFTYLVLQZQNH-UHFFFAOYSA-N
HMDB29969,294.219494826,C18H30O3,CC1OC(=O)C(CCCCCCCCCCCCC=O)=C1,"InChI=1S/C18H30O3/c1-16-15-17(18(20)21-16)13-11-9-7-5-3-2-4-6-8-10-12-14-19/h14-16H,2-13H2,1H3",CWCAGZXBGYHWNE,UHFFFAOYSA,N,Squamostanal A,CWCAGZXBGYHWNE-UHFFFAOYSA-N
HMDB29970,622.480854466,C37H66O7,CCCCCCCCCC\C=C/CCC(O)C1CCC(O1)C(O)CCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-13-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h12,16,27,29,31-36,38-41H,3-11,13-15,17-26,28H2,1-2H3/b16-12-",XHKLAUPULLMCQU,VBKFSLOCSA,N,Squamosten A,XHKLAUPULLMCQU-VBKFSLOCSA-N
HMDB29971,248.068473494,C13H12O5,COC1=C2C=COC2=CC2=C1C(=O)OC(C)C2O,"InChI=1S/C13H12O5/c1-6-11(14)8-5-9-7(3-4-17-9)12(16-2)10(8)13(15)18-6/h3-6,11,14H,1-2H3",FDLXWTAXBWPMFB,UHFFFAOYSA,N,Coriandrone E,FDLXWTAXBWPMFB-UHFFFAOYSA-N
HMDB29972,352.152203122,C18H24O7,COC1=C(CC(OC(C)=O)C(C)(C)O)C(O)=C2C(=O)OC(C)CC2=C1,"InChI=1S/C18H24O7/c1-9-6-11-7-13(23-5)12(16(20)15(11)17(21)24-9)8-14(18(3,4)22)25-10(2)19/h7,9,14,20,22H,6,8H2,1-5H3",ZSKZYWHCOISHNI,UHFFFAOYSA,N,Coriandrone D,ZSKZYWHCOISHNI-UHFFFAOYSA-N
HMDB29973,1276.769610646,C69H112O21,CCCCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(O)C(O)C(C)OC5OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)C(OC(=O)CCCCCCCCC)C2O)C(OC(=O)\C=C\C2=CC=CC=C2)C1O,"InChI=1S/C69H112O21/c1-8-11-14-16-19-24-32-39-50(70)84-59-45(5)80-67(63(56(59)76)87-53(73)43-42-48-35-29-27-30-36-48)88-60-46(6)81-68(64(57(60)77)85-51(71)40-33-25-20-17-15-12-9-2)89-61-47(7)82-69-65(58(61)78)86-52(72)41-34-26-22-18-21-23-31-38-49(37-28-13-10-3)83-66-62(90-69)55(75)54(74)44(4)79-66/h27,29-30,35-36,42-47,49,54-69,74-78H,8-26,28,31-34,37-41H2,1-7H3/b43-42+",GILTWNXLGZGVNZ,HBSCQBRPSA,N,Simonin I,GILTWNXLGZGVNZ-HBSCQBRPSA-N
HMDB29974,1292.78565464,C66H116O24,CCCCCCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(O)C(O)C(C)OC5OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)C(OC(=O)CCCCCCC)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C66H116O24/c1-9-12-15-17-18-19-22-26-31-35-44(67)84-55-40(6)80-63(53(76)51(55)74)88-57-42(8)82-66(61(86-46(69)37-30-24-16-13-10-2)60(57)90-62-52(75)49(72)47(70)38(4)78-62)87-56-41(7)81-65-59(54(56)77)85-45(68)36-32-27-23-20-21-25-29-34-43(33-28-14-11-3)83-64-58(89-65)50(73)48(71)39(5)79-64/h38-43,47-66,70-77H,9-37H2,1-8H3",NQDAYVPCMIYPCA,UHFFFAOYSA,N,Simonin V,NQDAYVPCMIYPCA-UHFFFAOYSA-N
HMDB29975,1266.73361907,C63H110O25,CCCCCCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(O)C(O)C(CO)OC5OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)C(OC(=O)C(C)CC)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C63H110O25/c1-9-12-14-15-16-17-20-23-27-31-41(65)82-51-36(6)77-60(49(73)47(51)71)86-53-38(8)79-63(57(84-58(75)34(4)11-3)56(53)88-59-48(72)45(69)43(67)35(5)76-59)85-52-37(7)78-61-55(50(52)74)83-42(66)32-28-24-21-18-19-22-26-30-39(29-25-13-10-2)80-62-54(87-61)46(70)44(68)40(33-64)81-62/h34-40,43-57,59-64,67-74H,9-33H2,1-8H3",ZEVJZHRJNZKVGI,UHFFFAOYSA,N,Simonin II,ZEVJZHRJNZKVGI-UHFFFAOYSA-N
HMDB29976,1250.738704448,C63H110O24,CCCCCCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(O)C(O)C(C)OC5OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)C(OC(=O)C(C)CC)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C63H110O24/c1-10-13-15-16-17-18-21-24-28-32-41(64)81-51-37(7)77-60(49(72)47(51)70)85-53-39(9)79-63(57(83-58(74)34(4)12-3)56(53)87-59-48(71)45(68)43(66)35(5)75-59)84-52-38(8)78-62-55(50(52)73)82-42(65)33-29-25-22-19-20-23-27-31-40(30-26-14-11-2)80-61-54(86-62)46(69)44(67)36(6)76-61/h34-40,43-57,59-63,66-73H,10-33H2,1-9H3",GHVUZHWERYBEGZ,UHFFFAOYSA,N,Simonin III,GHVUZHWERYBEGZ-UHFFFAOYSA-N
HMDB29977,1320.816954768,C68H120O24,CCCCCCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(O)C(O)C(C)OC5OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)C(OC(=O)CCCCCCCCC)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C68H120O24/c1-9-12-15-17-19-20-24-28-32-37-46(69)86-57-42(6)82-65(55(78)53(57)76)90-59-44(8)84-68(63(88-48(71)39-34-27-22-18-16-13-10-2)62(59)92-64-54(77)51(74)49(72)40(4)80-64)89-58-43(7)83-67-61(56(58)79)87-47(70)38-33-29-25-21-23-26-31-36-45(35-30-14-11-3)85-66-60(91-67)52(75)50(73)41(5)81-66/h40-45,49-68,72-79H,9-39H2,1-8H3",PIPJWVLVHFNOQG,UHFFFAOYSA,N,Simonin IV,PIPJWVLVHFNOQG-UHFFFAOYSA-N
HMDB29978,296.23514489,C18H32O3,CCCC(O)C\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-",MZQXAWAWDWCIKG,OHPMOLHNSA,N,Avenoleic acid,MZQXAWAWDWCIKG-OHPMOLHNSA-N
HMDB29979,388.115817616,C20H20O8,COC1=C(OC)C2=C(C=C1)C(=O)C(OC)=C(O2)C1=CC(OC)=C(OC)C=C1O,"InChI=1S/C20H20O8/c1-23-13-7-6-10-16(22)20(27-5)18(28-17(10)19(13)26-4)11-8-14(24-2)15(25-3)9-12(11)21/h6-9,21H,1-5H3",ILFIBHRYVRDHNZ,UHFFFAOYSA,N,"2'-Hydroxy-3,4',5',7,8-pentamethoxyflavone",ILFIBHRYVRDHNZ-UHFFFAOYSA-N
HMDB29980,144.115029756,C8H16O2,CCCCCCOC(C)=O,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",AOGQPLXWSUTHQB,UHFFFAOYSA,N,Hexyl acetate,AOGQPLXWSUTHQB-UHFFFAOYSA-N
HMDB29981,410.172938564,C24H26O6,COC1=C(CC=C(C)C)C2=C(OC3=C(C2=O)C2=C(CCC(C)(C)O2)C(O)=C3)C=C1O,"InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(11-16(26)22(14)28-5)29-18-10-15(25)13-8-9-24(3,4)30-23(13)20(18)21(19)27/h6,10-11,25-26H,7-9H2,1-5H3",JUHXHWKPHWGZKL,UHFFFAOYSA,N,1-Isomangostin,JUHXHWKPHWGZKL-UHFFFAOYSA-N
HMDB29982,558.501195978,C37H66O3,CCCCCCCCCCCC\C=C/CCC1OC1CCCCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O3/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35-36(40-35)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)39-37(34)38/h21,24,32-33,35-36H,3-20,22-23,25-31H2,1-2H3/b24-21-",CQXDIWLWKUBMCF,FLFQWRMESA,N,Epomusenin A,CQXDIWLWKUBMCF-FLFQWRMESA-N
HMDB29983,558.501195978,C37H66O3,CCCCCCCCCCCCCC\C=C/CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-35-36(40-35)31-28-25-22-19-16-15-17-20-23-26-29-34-32-33(2)39-37(34)38/h21,24,32-33,35-36H,3-20,22-23,25-31H2,1-2H3/b24-21-",MKKPDARISYEUBT,FLFQWRMESA,N,Epomusenin B,MKKPDARISYEUBT-FLFQWRMESA-N
HMDB29984,428.18350325,C24H28O7,COC1=C(CCC(C)(C)O)C2=C(OC3=C(C2=O)C2=C(CCC(C)(C)O2)C(O)=C3)C=C1O,"InChI=1S/C24H28O7/c1-23(2,28)8-6-13-18-16(11-15(26)21(13)29-5)30-17-10-14(25)12-7-9-24(3,4)31-22(12)19(17)20(18)27/h10-11,25-26,28H,6-9H2,1-5H3",QEERGWNVXZILOR,UHFFFAOYSA,N,1-Isomangostin hydrate,QEERGWNVXZILOR-UHFFFAOYSA-N
HMDB29985,450.4436811,C30H58O2,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCC,"InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30(32)28-29(31)26-24-22-20-18-14-12-10-8-6-4-2/h3-28H2,1-2H3",YQBCWBGXIHUJSX,UHFFFAOYSA,N,"13,15-Triacontanedione",YQBCWBGXIHUJSX-UHFFFAOYSA-N
HMDB29986,464.532102176,C33H68,CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(C)C(C)C,"InChI=1S/C33H68/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32(4)33(5)31(2)3/h31-33H,6-30H2,1-5H3",UIFMMGCTTVOBLD,UHFFFAOYSA,N,"2,3,4-Trimethyltriacontane",UIFMMGCTTVOBLD-UHFFFAOYSA-N
HMDB29987,452.459331164,C30H60O2,CCCCCCCCCCCCCCCCCCCC(O)CC(=O)CCCCCCCC,"InChI=1S/C30H60O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-30(32)28-29(31)26-24-22-10-8-6-4-2/h30,32H,3-28H2,1-2H3",JEVBMUVAWTUWJK,UHFFFAOYSA,N,(+)-11-Hydroxy-9-triacontanone,JEVBMUVAWTUWJK-UHFFFAOYSA-N
HMDB29988,226.012220944,C10H10O2S2,C(SSCC1=CC=CO1)C1=CC=CO1,"InChI=1S/C10H10O2S2/c1-3-9(11-5-1)7-13-14-8-10-4-2-6-12-10/h1-6H,7-8H2",CBJPZHSWLMJQRI,UHFFFAOYSA,N,Bis(2-furanylmethyl) disulfide,CBJPZHSWLMJQRI-UHFFFAOYSA-N
HMDB29989,464.219888756,C28H32O6,CC(C)=CCC1=C(O)C(O)=C(CC=C(C)C)C2=C1OC1=C(C(O)=C(C=C1O)C(C)(C)C=C)C2=O,"InChI=1S/C28H32O6/c1-8-28(6,7)18-13-19(29)27-21(24(18)32)25(33)20-16(11-9-14(2)3)22(30)23(31)17(26(20)34-27)12-10-15(4)5/h8-10,13,29-32H,1,11-12H2,2-7H3",CLXFLUDZZDAVOS,UHFFFAOYSA,N,Dulciol B,CLXFLUDZZDAVOS-UHFFFAOYSA-N
HMDB29990,464.219888756,C28H32O6,CC(C)=CCC\C(C)=C\CC1=C(O)C(O)=C(CC=C(C)C)C2=C1OC1=C(C(O)=CC(O)=C1)C2=O,"InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-20-26(32)25(31)19(11-9-16(3)4)23-27(33)24-21(30)13-18(29)14-22(24)34-28(20)23/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+",GPHYDWLQZOOUFR,LICLKQGHSA,N,Dulciol A,GPHYDWLQZOOUFR-LICLKQGHSA-N
HMDB29991,482.230453442,C28H34O7,CC(C)=CCC1=C(O)C(O)=C(CCC(C)(C)O)C2=C1OC1=C(C(O)=C(C=C1O)C(C)(C)C=C)C2=O,"InChI=1S/C28H34O7/c1-8-27(4,5)17-13-18(29)26-20(23(17)32)24(33)19-15(11-12-28(6,7)34)21(30)22(31)16(25(19)35-26)10-9-14(2)3/h8-9,13,29-32,34H,1,10-12H2,2-7H3",AIKCUENREJQMNO,UHFFFAOYSA,N,Dulciol C,AIKCUENREJQMNO-UHFFFAOYSA-N
HMDB29992,366.142701068,C17H22N2O7,OCC(O)C(O)C(O)C(O)C1NC(CC2=C1NC1=CC=CC=C21)C(O)=O,"InChI=1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)",LCHFAYIGHOVWSA,UHFFFAOYSA,N,Tetrahydropentoxyline,LCHFAYIGHOVWSA-UHFFFAOYSA-N
HMDB29993,436.464416542,C30H60O,CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C)C,"InChI=1S/C30H60O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30(31)29(2)3/h29H,4-28H2,1-3H3",HWDHIBLILCSTPN,UHFFFAOYSA,N,2-Methyl-3-nonacosanone,HWDHIBLILCSTPN-UHFFFAOYSA-N
HMDB29994,396.433116414,C27H56O,CC(C)CCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C27H56O/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28/h27-28H,3-26H2,1-2H3",CUMSEYAGIUEWPM,UHFFFAOYSA,N,25-Methyl-1-hexacosanol,CUMSEYAGIUEWPM-UHFFFAOYSA-N
HMDB29995,452.49571667,C31H64O,CCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCC,"InChI=1S/C31H64O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31(32)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3",NUCHAKFKBXHDNC,UHFFFAOYSA,N,15-Hentriacontanol,NUCHAKFKBXHDNC-UHFFFAOYSA-N
HMDB29996,450.480066606,C31H62O,CCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC,"InChI=1S/C31H62O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-31(32)29-27-25-10-8-6-4-2/h3-30H2,1-2H3",FDAMWNSHPQTDNC,UHFFFAOYSA,N,9-Hentriacontanone,FDAMWNSHPQTDNC-UHFFFAOYSA-N
HMDB29997,408.396730908,C27H52O2,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC,"InChI=1S/C27H52O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-27(29)25-26(28)23-21-19-17-10-8-6-4-2/h3-25H2,1-2H3",SMZYJVMNHONWKX,UHFFFAOYSA,N,"10,12-Heptacosanedione",SMZYJVMNHONWKX-UHFFFAOYSA-N
HMDB29998,296.23514489,C18H32O3,CCCCCCC(O)\C=C\C=C\CCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12+",XTLVZNQEJRQDTP,KDFHGORWSA,N,"12-Hydroxy-8,10-octadecadienoic acid",XTLVZNQEJRQDTP-KDFHGORWSA-N
HMDB29999,448.152203122,C26H24O7,COC1=C2OC(C)(C)C3CC4=C(OC5=C(C(O)=CC6=C5C=CC(C)(C)O6)C4=O)C(=C23)C(O)=C1,"InChI=1S/C26H24O7/c1-25(2)7-6-11-16(32-25)9-15(28)20-21(29)12-8-13-18-19(23(12)31-22(11)20)14(27)10-17(30-5)24(18)33-26(13,3)4/h6-7,9-10,13,27-28H,8H2,1-5H3",HKEMUQOOVFTSNA,UHFFFAOYSA,N,Cycloartomunoxanthone,HKEMUQOOVFTSNA-UHFFFAOYSA-N
HMDB30000,178.012220944,C6H10O2S2,CC(C=S=O)C(C)C=S=O,"InChI=1S/C6H10O2S2/c1-5(3-9-7)6(2)4-10-8/h3-6H,1-2H3",RUYPPTVRJRANOX,UHFFFAOYSA,N,Bissulfine,RUYPPTVRJRANOX-UHFFFAOYSA-N
HMDB30001,136.063662888,C7H8N2O,CC(=O)C1=NC=CN=C1C,"InChI=1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3",QUNOTZOHYZZWKQ,UHFFFAOYSA,N,2-Acetyl-3-methylpyrazine,QUNOTZOHYZZWKQ-UHFFFAOYSA-N
HMDB30002,166.135765198,C11H18O,CC1(C)C2CC1C(CCO)=CC2,"InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3",ROKSAUSPJGWCSM,UHFFFAOYSA,N,(-)-Nopol,ROKSAUSPJGWCSM-UHFFFAOYSA-N
HMDB30003,100.088815006,C6H12O,CC\C=C/CCO,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-",UFLHIIWVXFIJGU,ARJAWSKDSA,N,(E)-3-Hexen-1-ol,UFLHIIWVXFIJGU-ARJAWSKDSA-N
HMDB30004,474.225368064,C26H34O8,COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(O)C34OC(CCC13C)(OC)OC4(C)C)O2,"InChI=1S/C26H34O8/c1-13-15-12-31-21(28)18(15)20(29-6)14-10-16-23(4)8-9-25(30-7)33-22(2,3)26(23,34-25)17(27)11-24(16,5)32-19(13)14/h16-17,27H,8-12H2,1-7H3",ZVFMDVFPBVFGPG,UHFFFAOYSA,N,Austalide B,ZVFMDVFPBVFGPG-UHFFFAOYSA-N
HMDB30005,516.23593275,C28H36O9,COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(OC(C)=O)C34OC(CCC13C)(OC)OC4(C)C)O2,"InChI=1S/C28H36O9/c1-14-17-13-33-23(30)20(17)22(31-7)16-11-18-25(5)9-10-27(32-8)36-24(3,4)28(25,37-27)19(34-15(2)29)12-26(18,6)35-21(14)16/h18-19H,9-13H2,1-8H3",JVCNHGXAVMINTN,UHFFFAOYSA,N,Austalide A,JVCNHGXAVMINTN-UHFFFAOYSA-N
HMDB30006,182.13067982,C11H18O2,CC1(C)CCC2(O1)OC(C)(C)C=C2,"InChI=1S/C11H18O2/c1-9(2)5-7-11(12-9)8-6-10(3,4)13-11/h5,7H,6,8H2,1-4H3",AKLWIMZXBONTDH,UHFFFAOYSA,N,"2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]non-3-ene",AKLWIMZXBONTDH-UHFFFAOYSA-N
HMDB30007,180.115029756,C11H16O2,CC1(C)OC2(OC(C)(C)C=C2)C=C1,"InChI=1S/C11H16O2/c1-9(2)5-7-11(12-9)8-6-10(3,4)13-11/h5-8H,1-4H3",XBYJEPZKXGPIKK,UHFFFAOYSA,N,"2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene",XBYJEPZKXGPIKK-UHFFFAOYSA-N
HMDB30008,396.302830524,C27H40O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=CC(O)=CC(C)=C2O1,"InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+",ODADKLYLWWCHNB,QRCIITMISA,N,d-Tocotrienol,ODADKLYLWWCHNB-QRCIITMISA-N
HMDB30009,200.069341892,C10H16S2,CC(C)=CCCC1=CCSSC1,"InChI=1S/C10H16S2/c1-9(2)4-3-5-10-6-7-11-12-8-10/h4,6H,3,5,7-8H2,1-2H3",QQBNLTZXJHZJJD,UHFFFAOYSA,N,"3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin",QQBNLTZXJHZJJD-UHFFFAOYSA-N
HMDB30010,876.399094488,C41H64O20,CC1OC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C41H64O20/c1-17-33(60-37-32(52)29(49)34(24(14-43)59-37)61-36-30(50)27(47)26(46)23(13-42)58-36)28(48)31(51)35(56-17)57-19-3-8-39(16-44)21-4-7-38(2)20(18-11-25(45)55-15-18)6-10-41(38,54)22(21)5-9-40(39,53)12-19/h11,17,19-24,26-37,42-44,46-54H,3-10,12-16H2,1-2H3",MJMGVGSJSVKKJC,UHFFFAOYSA,N,Glucoconvallatoxoloside,MJMGVGSJSVKKJC-UHFFFAOYSA-N
HMDB30011,620.356047884,C34H52O10,CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CC2(C)OC2(C)C(=O)O1,"InChI=1S/C34H52O10/c1-16(23-14-32(3)34(5,44-32)30(40)43-23)20-8-9-21-19-7-6-17-12-18(41-29-28(39)27(38)26(37)24(15-35)42-29)13-25(36)33(17,4)22(19)10-11-31(20,21)2/h6,16,18-29,35-39H,7-15H2,1-5H3",OVHWHMIFHTVFRU,UHFFFAOYSA,N,"(1alpha,3beta,20S,22R,24S,25S)-Pubescenin",OVHWHMIFHTVFRU-UHFFFAOYSA-N
HMDB30012,372.230059512,C23H32O4,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(C)C(C=O)=C(O)C(O)=C1O,"InChI=1S/C23H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)20(14-24)22(26)23(27)21(19)25/h8,10,12,14,25-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+",XQTQSUUULVXJPG,JTCWOHKRSA,N,Scutigeral,XQTQSUUULVXJPG-JTCWOHKRSA-N
HMDB30013,412.370516158,C29H48O,CCC(CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)=C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20-23,25-27,30H,2,7-10,12-18H2,1,3-6H3",CMQUSRGUOMCHOZ,UHFFFAOYSA,N,"(3beta,5alpha,24S)-Stigmasta-7,25-dien-3-ol",CMQUSRGUOMCHOZ-UHFFFAOYSA-N
HMDB30014,448.39164553,C29H52O3,CCC(CCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3",VGSSUFQMXBFFTM,UHFFFAOYSA,N,"(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol",VGSSUFQMXBFFTM-UHFFFAOYSA-N
HMDB30015,426.349780716,C29H46O2,CCC(\C=C/C(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O)C(C)C,"InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-25,27,30H,7,10-16H2,1-6H3/b9-8-",UKMCCFHULJHJNS,HJWRWDBZSA,N,7-Oxostigmasterol,UKMCCFHULJHJNS-HJWRWDBZSA-N
HMDB30016,234.161979948,C15H22O2,CC1CCC(\C=C(/C)C(O)=O)C2=C(C)CCC12,"InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+",FEBNTWHYQKGEIQ,DHZHZOJOSA,N,Valerenic acid,FEBNTWHYQKGEIQ-DHZHZOJOSA-N
HMDB30017,580.428031036,C41H56O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(C)C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+",PFRQBZFETXBLTP,RCIYGOBDSA,N,Vitamin K2,PFRQBZFETXBLTP-RCIYGOBDSA-N
HMDB30018,224.068473494,C11H12O5,COC(=O)C1=COC(=O)CC1\C(=C\C)C=O,"InChI=1S/C11H12O5/c1-3-7(5-12)8-4-10(13)16-6-9(8)11(14)15-2/h3,5-6,8H,4H2,1-2H3/b7-3+",TXTINTVPMBCGKO,XVNBXDOJSA,N,Elenolide,TXTINTVPMBCGKO-XVNBXDOJSA-N
HMDB30019,288.136159128,C17H20O4,CO\C=C(\C(\C)=C\C=C/C1=CC=C(OC)C=C1)/C(=O)OC,"InChI=1S/C17H20O4/c1-13(16(12-19-2)17(18)21-4)6-5-7-14-8-10-15(20-3)11-9-14/h5-12H,1-4H3/b7-5-,13-6+,16-12-",VHMKGBYCXDBNFU,CVWCHQOZSA,N,4'-Methoxymucidin,VHMKGBYCXDBNFU-CVWCHQOZSA-N
HMDB30020,454.271924326,C28H38O5,CC(C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C)C1CC(C)=C(C)C(=O)O1,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3",ZTEVDTFJUUJBLP,UHFFFAOYSA,N,Withanolide B,ZTEVDTFJUUJBLP-UHFFFAOYSA-N
HMDB30021,412.370516158,C29H48O,C\C=C(\C(C)C)CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1",OSELKOCHBMDKEJ,ZMRGBFEOSA,N,Fucosterol,OSELKOCHBMDKEJ-ZMRGBFEOSA-N
HMDB30022,430.381080844,C29H50O2,CCC(CCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3",SXJVFYZNUGGHRG,UHFFFAOYSA,N,Ikshusterol,SXJVFYZNUGGHRG-UHFFFAOYSA-N
HMDB30023,380.198759384,C24H28O4,CCC\C=C1/OC(=O)C2=CC3CCC12C1(OC(=O)C2=C1CCC=C2)C3CCC,"InChI=1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11-",DZMFTLLDUYBHLI,JAIQZWGSSA,N,Angeolide,DZMFTLLDUYBHLI-JAIQZWGSSA-N
HMDB30024,416.329045277,C27H44O3,[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2,"InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",GMBQZIIUCVWOCD,WWASVFFGSA,N,Sarsasapogenin,GMBQZIIUCVWOCD-WWASVFFGSA-N
HMDB30025,90.013935504,C3H6OS,CC(=O)CS,"InChI=1S/C3H6OS/c1-3(4)2-5/h5H,2H2,1H3",USVCRBGYQRVTNK,UHFFFAOYSA,N,1-Mercapto-2-propanone,USVCRBGYQRVTNK-UHFFFAOYSA-N
HMDB30026,362.20932407,C21H30O5,CC(C)CC(=O)C1=C(O)C(O)(C(CC=C(C)C)C1=O)C(=O)CC=C(C)C,"InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3",QARXXMMQVDCYGZ,UHFFFAOYSA,N,Isohumulone A,QARXXMMQVDCYGZ-UHFFFAOYSA-N
HMDB30027,116.083729628,C6H12O2,COC(=O)CC(C)C,"InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3",OQAGVSWESNCJJT,UHFFFAOYSA,N,Methyl 3-methylbutanoate,OQAGVSWESNCJJT-UHFFFAOYSA-N
HMDB30028,130.099379692,C7H14O2,CCOC(=O)CC(C)C,"InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3",PPXUHEORWJQRHJ,UHFFFAOYSA,N,Ethyl isovalerate,PPXUHEORWJQRHJ-UHFFFAOYSA-N
HMDB30029,172.146329884,C10H20O2,CC(C)CCOC(=O)CC(C)C,"InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3",XINCECQTMHSORG,UHFFFAOYSA,N,Isopentyl isopentanoate,XINCECQTMHSORG-UHFFFAOYSA-N
HMDB30030,128.120115134,C8H16O,CC(O)CCC=C(C)C,"InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3",OHEFFKYYKJVVOX,UHFFFAOYSA,N,(R)-Sulcatol,OHEFFKYYKJVVOX-UHFFFAOYSA-N
HMDB30031,170.13067982,C10H18O2,CC(CCC=C(C)C)OC(C)=O,"InChI=1S/C10H18O2/c1-8(2)6-5-7-9(3)12-10(4)11/h6,9H,5,7H2,1-4H3",ZAKWGQOSOHQPJA,UHFFFAOYSA,N,(±)-6-Methyl-5-hepten-2-yl acetate,ZAKWGQOSOHQPJA-UHFFFAOYSA-N
HMDB30032,386.20932407,C23H30O5,CC(C)CC1C2CC(C=CC2(C)OC2=C(C=O)C(O)=C(C=O)C(O)=C12)C(C)C,"InChI=1S/C23H30O5/c1-12(2)8-15-18-9-14(13(3)4)6-7-23(18,5)28-22-17(11-25)20(26)16(10-24)21(27)19(15)22/h6-7,10-15,18,26-27H,8-9H2,1-5H3",GCAXPYWXIWWHHT,UHFFFAOYSA,N,Euglobal Ia1,GCAXPYWXIWWHHT-UHFFFAOYSA-N
HMDB30033,386.20932407,C23H30O5,CC(C)CC1CC2(CCC3(CC23)C(C)C)OC2=C1C(O)=C(C=O)C(O)=C2C=O,"InChI=1S/C23H30O5/c1-12(2)7-14-8-23(6-5-22(13(3)4)9-17(22)23)28-21-16(11-25)19(26)15(10-24)20(27)18(14)21/h10-14,17,26-27H,5-9H2,1-4H3",DRQVGVASTZKOLP,UHFFFAOYSA,N,Euglobal Ib,DRQVGVASTZKOLP-UHFFFAOYSA-N
HMDB30034,386.20932407,C23H30O5,CC(C)CC1CC2(CCC(C=C2)C(C)C)OC2=C(C=O)C(O)=C(C=O)C(O)=C12,"InChI=1S/C23H30O5/c1-13(2)9-16-10-23(7-5-15(6-8-23)14(3)4)28-22-18(12-25)20(26)17(11-24)21(27)19(16)22/h5,7,11-16,26-27H,6,8-10H2,1-4H3",IGHWKBGONDMTMG,UHFFFAOYSA,N,Euglobal IIb,IGHWKBGONDMTMG-UHFFFAOYSA-N
HMDB30035,454.271924326,C28H38O5,CC(C)CC1C2C3C(CC\C(C)=C/CCC2(C)OC2=C1C(O)=C(C=O)C(O)=C2C=O)C3(C)C,"InChI=1S/C28H38O5/c1-15(2)12-17-21-25(32)18(13-29)24(31)19(14-30)26(21)33-28(6)11-7-8-16(3)9-10-20-23(22(17)28)27(20,4)5/h8,13-15,17,20,22-23,31-32H,7,9-12H2,1-6H3/b16-8-",XJFLMCYKZVYATJ,PXNMLYILSA,N,Euglobal IVa,XJFLMCYKZVYATJ-PXNMLYILSA-N
HMDB30036,386.20932407,C23H30O5,CC(C)CC(=O)C1=C(O)C2=C(OC3(C)C=CC(CC3C2)C(C)C)C(C=O)=C1O,"InChI=1S/C23H30O5/c1-12(2)8-18(25)19-20(26)16-10-15-9-14(13(3)4)6-7-23(15,5)28-22(16)17(11-24)21(19)27/h6-7,11-15,26-27H,8-10H2,1-5H3",YGCRQAOHADEOEC,UHFFFAOYSA,N,Euglobal IIc,YGCRQAOHADEOEC-UHFFFAOYSA-N
HMDB30037,454.271924326,C28H38O5,CC(C)CC(=O)C1=C(O)C2=C(OC3C4C(CC\C(C)=C/CCC3(C)C2)C4(C)C)C(C=O)=C1O,"InChI=1S/C28H38O5/c1-15(2)12-20(30)21-23(31)17-13-28(6)11-7-8-16(3)9-10-19-22(27(19,4)5)26(28)33-25(17)18(14-29)24(21)32/h8,14-15,19,22,26,31-32H,7,9-13H2,1-6H3/b16-8-",JIUCFHYHXVNZMU,PXNMLYILSA,N,Euglobal VII,JIUCFHYHXVNZMU-PXNMLYILSA-N
HMDB30038,454.271924326,C28H38O5,CC(C)CC1C2=C(OC34CCC1(C)C3C1C(CCC4C)C1(C)C)C(C=O)=C(O)C(C=O)=C2O,"InChI=1S/C28H38O5/c1-14(2)11-19-20-23(32)16(12-29)22(31)17(13-30)24(20)33-28-10-9-27(19,6)25(28)21-18(26(21,4)5)8-7-15(28)3/h12-15,18-19,21,25,31-32H,7-11H2,1-6H3",BIAFCXUFUQOOMP,UHFFFAOYSA,N,Euglobal V,BIAFCXUFUQOOMP-UHFFFAOYSA-N
HMDB30039,180.115029756,C11H16O2,CC\C=C\CC1=C(C)C(O)CC1=O,"InChI=1S/C11H16O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h4-5,10,12H,3,6-7H2,1-2H3/b5-4+",SVRKACAGHUZSGU,SNAWJCMRSA,N,Jasmolone,SVRKACAGHUZSGU-SNAWJCMRSA-N
HMDB30040,918.482430186,C45H74O19,CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H74O19/c1-19(18-58-40-36(54)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-38(56)39(33(51)29(17-48)62-42)63-41-37(55)35(53)32(50)28(16-47)61-41/h5,19-20,22-42,46-57H,6-18H2,1-4H3",BEYZWBAAOITTJU,UHFFFAOYSA,N,Melongoside O,BEYZWBAAOITTJU-UHFFFAOYSA-N
HMDB30041,414.277009704,C26H38O4,CC(C)CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)C1=O,"InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19-20,30H,10,13-15H2,1-8H3",WYJNATSMJAUNMZ,UHFFFAOYSA,N,Lupulone,WYJNATSMJAUNMZ-UHFFFAOYSA-N
HMDB30042,424.136946988,C20H24O10,CC1C2C(OC1=O)C(O)C13C4OC(=O)C21OC1OC(=O)C(O)C31C(C4O)C(C)(C)C,"InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3",KDKROYXEHCYLJQ,UHFFFAOYSA,N,Ginkgolide M,KDKROYXEHCYLJQ-UHFFFAOYSA-N
HMDB30043,500.204632622,C27H32O9,CC1OC(=O)C23C(=C)C(C)(CC4=C(C)C5(C=CC(=O)OC5(C)C)C(CC24C)OC(C)=O)OC(=O)C13O,"InChI=1S/C27H32O9/c1-13-17-11-24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(17,7)12-18(34-16(4)28)25(13)10-9-19(29)35-22(25,5)6/h9-10,15,18,32H,2,11-12H2,1,3-8H3",SLCHGQPSMLGFMX,UHFFFAOYSA,N,Isoaustin,SLCHGQPSMLGFMX-UHFFFAOYSA-N
HMDB30044,372.230059512,C23H32O4,CC12CCC3C(CCC4CC(O)CCC34C)C1C(O)C=C2C1=CC(=O)OC1,"InChI=1S/C23H32O4/c1-22-7-5-15(24)10-14(22)3-4-16-17(22)6-8-23(2)18(11-19(25)21(16)23)13-9-20(26)27-12-13/h9,11,14-17,19,21,24-25H,3-8,10,12H2,1-2H3",LOUCJBIZSPLEFL,UHFFFAOYSA,N,Neriantogenin,LOUCJBIZSPLEFL-UHFFFAOYSA-N
HMDB30045,378.204238692,C21H30O6,CC(C)CC(=O)C1=C(O)C2(O)C3(O)CC(=C(C)C)C(C)(C)C3CC2(O)C1=O,"InChI=1S/C21H30O6/c1-10(2)7-13(22)15-16(23)20(26)9-14-18(5,6)12(11(3)4)8-19(14,25)21(20,27)17(15)24/h10,14,24-27H,7-9H2,1-6H3",WDCHYVUCXSBTMH,UHFFFAOYSA,N,Isohumulinone A,WDCHYVUCXSBTMH-UHFFFAOYSA-N
HMDB30046,578.381868704,C33H54O8,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3",ZNEIIZNXGCIAAL,UHFFFAOYSA,N,Asparagoside A,ZNEIIZNXGCIAAL-UHFFFAOYSA-N
HMDB30047,416.329045274,C27H44O3,[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2,"InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",GMBQZIIUCVWOCD,PUHUBZITSA,N,Neotigogenin,GMBQZIIUCVWOCD-PUHUBZITSA-N
HMDB30048,416.329045274,C27H44O3,[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2,"InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",GMBQZIIUCVWOCD,UQHLGXRBSA,N,Smilagenin,GMBQZIIUCVWOCD-UQHLGXRBSA-N
HMDB30050,1066.555989058,C51H86O23,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C51H86O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-47-42(64)39(61)35(57)30(17-53)70-47)43(36(58)31(18-54)71-48)72-46-41(63)37(59)33(55)22(3)67-46/h20-48,52-65H,6-19H2,1-5H3",CEWQEUNTBORADC,UHFFFAOYSA,N,Melongoside P,CEWQEUNTBORADC-UHFFFAOYSA-N
HMDB30051,1214.593162424,C56H94O28,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C56H94O28/c1-21(19-74-49-42(69)38(65)36(63)30(15-57)77-49)7-12-56(73)22(2)34-29(84-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)76-53-45(72)48(83-51-43(70)39(66)37(64)31(16-58)78-51)47(33(18-60)80-53)82-52-44(71)40(67)46(32(17-59)79-52)81-50-41(68)35(62)28(61)20-75-50/h21-53,57-73H,5-20H2,1-4H3",SXCDJKBVZMMBQG,UHFFFAOYSA,N,Asparagoside H,SXCDJKBVZMMBQG-UHFFFAOYSA-N
HMDB30052,130.099379692,C7H14O2,CCCCOC(=O)CC,"InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3",BTMVHUNTONAYDX,UHFFFAOYSA,N,Butyl propionate,BTMVHUNTONAYDX-UHFFFAOYSA-N
HMDB30053,328.240230268,C22H32O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C=C(O)C=C1C,"InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+",JWDIUXFSIWOGDP,VZRGJMDUSA,N,Neogrifolin,JWDIUXFSIWOGDP-VZRGJMDUSA-N
HMDB30054,412.334130652,C28H44O2,CC(C)C(=C)CCC(C)(O)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H44O2/c1-18(2)19(3)11-16-28(6,30)25-10-9-23-22-8-7-20-17-21(29)12-14-26(20,4)24(22)13-15-27(23,25)5/h7-8,18,21,23-25,29-30H,3,9-17H2,1-2,4-6H3",VRCVXRWYXYWACO,UHFFFAOYSA,N,Amasterol,VRCVXRWYXYWACO-UHFFFAOYSA-N
HMDB30055,398.121296924,C18H22O10,OCC1OC(OC2COC(=O)C2)C(O)C(O)C1OC(=O)CC1=CC=C(O)C=C1,"InChI=1S/C18H22O10/c19-7-12-17(28-14(22)5-9-1-3-10(20)4-2-9)15(23)16(24)18(27-12)26-11-6-13(21)25-8-11/h1-4,11-12,15-20,23-24H,5-8H2",ZNBBYALXAQXHJE,UHFFFAOYSA,N,Taraxacoside,ZNBBYALXAQXHJE-UHFFFAOYSA-N
HMDB30056,116.083729628,C6H12O2,CCC(=O)OC(C)C,"InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3",IJMWOMHMDSDKGK,UHFFFAOYSA,N,Isopropyl propionate,IJMWOMHMDSDKGK-UHFFFAOYSA-N
HMDB30057,412.26135964,C26H36O4,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C=C(O)C1=O,"InChI=1S/C26H36O4/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-22-25(29)23(27)17-24(28)26(22)30/h9,11,13,15,17,27,30H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+,21-15+",FXIRKSMTDSBFCE,YKBIRWAZSA,N,Boviquinone 4,FXIRKSMTDSBFCE-YKBIRWAZSA-N
HMDB30058,102.068079564,C5H10O2,CCOC(=O)CC,"InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3",FKRCODPIKNYEAC,UHFFFAOYSA,N,Ethyl propionate,FKRCODPIKNYEAC-UHFFFAOYSA-N
HMDB30059,116.083729628,C6H12O2,CCCOC(=O)CC,"InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3",MCSINKKTEDDPNK,UHFFFAOYSA,N,Propyl propionate,MCSINKKTEDDPNK-UHFFFAOYSA-N
HMDB30060,164.083729628,C10H12O2,COC(=O)CCC1=CC=CC=C1,"InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",RPUSRLKKXPQSGP,UHFFFAOYSA,N,Methyl 3-phenylpropanoate,RPUSRLKKXPQSGP-UHFFFAOYSA-N
HMDB30061,90.068079564,C4H10O2,COC(C)OC,"InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3",SPEUIVXLLWOEMJ,UHFFFAOYSA,N,"1,1-Dimethoxyethane",SPEUIVXLLWOEMJ-UHFFFAOYSA-N
HMDB30062,88.0524295,C4H8O2,CCC(=O)OC,"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3",RJUFJBKOKNCXHH,UHFFFAOYSA,N,Methyl propionate,RJUFJBKOKNCXHH-UHFFFAOYSA-N
HMDB30063,164.083729628,C10H12O2,CCC(=O)OCC1=CC=CC=C1,"InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",VHOMAPWVLKRQAZ,UHFFFAOYSA,N,Benzyl propionate,VHOMAPWVLKRQAZ-UHFFFAOYSA-N
HMDB30064,318.18310932,C19H26O4,CC(C)C(=O)C1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O,"InChI=1S/C19H26O4/c1-11(2)7-9-19(10-8-12(3)4)17(22)14(15(20)13(5)6)16(21)18(19)23/h7-8,13-14H,9-10H2,1-6H3",HMEGPOIWNGKXBR,UHFFFAOYSA,N,Cohulupone,HMEGPOIWNGKXBR-UHFFFAOYSA-N
HMDB30065,400.26135964,C25H36O4,CC(C)C(=O)C1C(=O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O,"InChI=1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,20,28H,10,13-14H2,1-8H3",FJDKDBGVEXNOEZ,UHFFFAOYSA,N,Colupulone,FJDKDBGVEXNOEZ-UHFFFAOYSA-N
HMDB30066,430.308309832,C27H42O4,CC1C2C(CC3C4CCC5CC(O)CC(O)C5(C)C4CCC23C)OC11CCC(=C)CO1,"InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3",XLHFBXMTUNORSV,UHFFFAOYSA,N,Australigenin,XLHFBXMTUNORSV-UHFFFAOYSA-N
HMDB30067,1210.598247802,C57H94O27,CC1C2C(CC3C4CCC5CC(CC(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC23C)OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC1(O)CCC(=C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C57H94O27/c1-20(19-74-50-44(69)40(65)37(62)31(17-58)79-50)10-13-57(73)21(2)34-30(84-57)16-29-27-9-8-25-14-26(78-51-47(72)43(68)48(24(5)77-51)82-53-46(71)41(66)38(63)32(18-59)80-53)15-33(56(25,7)28(27)11-12-55(29,34)6)81-54-49(42(67)36(61)23(4)76-54)83-52-45(70)39(64)35(60)22(3)75-52/h21-54,58-73H,1,8-19H2,2-7H3",FNDDEEUISKKDMU,UHFFFAOYSA,N,Convallamaroside,FNDDEEUISKKDMU-UHFFFAOYSA-N
HMDB30068,616.209718,C38H32O8,CC1=CC2C(C(OC3=CC(=CC(O)=C23)C2=CC3=C(O2)C=C(O)C=C3)C2=C(O)C=C(C=C2O)C2=CC3=C(O2)C=C(O)C=C3)C(C)(C)C1,"InChI=1S/C38H32O8/c1-18-8-25-34-26(41)11-22(30-13-20-5-7-24(40)16-32(20)45-30)14-33(34)46-37(36(25)38(2,3)17-18)35-27(42)9-21(10-28(35)43)29-12-19-4-6-23(39)15-31(19)44-29/h4-16,25,36-37,39-43H,17H2,1-3H3",GKHRLTCUMXVTAV,UHFFFAOYSA,N,Dimoracin,GKHRLTCUMXVTAV-UHFFFAOYSA-N
HMDB30069,648.23593275,C39H36O9,CC(C)=CCC1=C(O)C(=CC=C1O)C(=O)C1C(CC(C)=CC1C1=C(O)C=C(C=C1O)C1=CC2=C(O1)C=C(O)C=C2)C1=C(O)C=C(O)C=C1,"InChI=1S/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3",SEHVRKPXIDOTRX,UHFFFAOYSA,N,Chalcomoracin,SEHVRKPXIDOTRX-UHFFFAOYSA-N
HMDB30070,130.135765198,C8H18O,CCCCCC(O)CC,"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3",NMRPBPVERJPACX,UHFFFAOYSA,N,(S)-3-Octanol,NMRPBPVERJPACX-UHFFFAOYSA-N
HMDB30071,378.18310932,C24H26O4,CC(C)=CCC\C(C)=C\CC1=C(C=C(O)C=C1O)C1=CC2=C(O1)C=C(O)C=C2,"InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(12-19(26)13-22(20)27)24-11-17-8-9-18(25)14-23(17)28-24/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+",KGOOVUKZICPAIZ,FRKPEAEDSA,N,Albafuran A,KGOOVUKZICPAIZ-FRKPEAEDSA-N
HMDB30072,378.18310932,C24H26O4,CC(C)=CCC\C(C)=C\CC1=C(O)C=C(C=C1O)C1=CC2=C(O1)C=C(O)C=C2,"InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(26)11-18(12-22(20)27)23-13-17-8-9-19(25)14-24(17)28-23/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+",ODASNNUHHLRPEL,FRKPEAEDSA,N,Albafuran B,ODASNNUHHLRPEL-FRKPEAEDSA-N
HMDB30073,580.173332494,C34H28O9,CC1=CC(C(C(C1)C1=C(O)C=C(O)C=C1)C(=O)C1=CC=C(O)C=C1O)C1=C(O)C=C2OC(=CC2=C1)C1=CC(O)=CC(O)=C1,"InChI=1S/C34H28O9/c1-16-6-26(23-4-2-19(35)13-28(23)39)33(34(42)24-5-3-20(36)14-29(24)40)27(7-16)25-10-18-11-31(43-32(18)15-30(25)41)17-8-21(37)12-22(38)9-17/h2-5,7-15,26-27,33,35-41H,6H2,1H3",SEUPIEHHWMMMQG,UHFFFAOYSA,N,Albafuran C,SEUPIEHHWMMMQG-UHFFFAOYSA-N
HMDB30074,692.225761994,C40H36O11,CC(C)=CCC1=C(OC2=C(C3C=C(C)CC(C3C(=O)C3=C(O)C=C(O)C=C3)C3=C(O)C=C(O)C=C3)C(O)=CC(O)=C2C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3",APPXYONGBIXGRO,UHFFFAOYSA,N,Albanin F,APPXYONGBIXGRO-UHFFFAOYSA-N
HMDB30075,760.28836225,C45H44O11,CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C3OC(=C(CC=C(C)C)C(=O)C3=C(O)C=C2O)C2=C(O)C=C(O)C=C2)C2=C(O)C=C(O)C=C2)=C1O,"InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3",DKBPTKFKCCNXNH,UHFFFAOYSA,N,Albanin G,DKBPTKFKCCNXNH-UHFFFAOYSA-N
HMDB30076,714.346271058,C35H54O15,CC1OC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C35H54O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,16,18-22,24-31,36-37,39-45H,3-10,12-15H2,1-2H3",PHMHHZLBZSMXTG,UHFFFAOYSA,N,Cheirotoxol,PHMHHZLBZSMXTG-UHFFFAOYSA-N
HMDB30077,400.370516158,C28H48O,CC(C)CCCC(C)C1CCC2=C3CCC4C(C)C(O)CCC4(C)C3CCC12C,"InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-23,25-26,29H,7-17H2,1-6H3",UIPYFONRKZTOIY,UHFFFAOYSA,N,"(3beta,4alpha,5alpha)-4-Methyl-8(14)-cholesten-3-ol",UIPYFONRKZTOIY-UHFFFAOYSA-N
HMDB30078,412.370516158,C29H48O,CC(CCC(=C)C(C)(C)C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C29H48O/c1-19(8-9-20(2)27(3,4)5)24-12-13-25-23-11-10-21-18-22(30)14-16-28(21,6)26(23)15-17-29(24,25)7/h10,19,22-26,30H,2,8-9,11-18H2,1,3-7H3",QXDHYSHOINNEAZ,UHFFFAOYSA,N,25-Methyl-24-methylenecholesterol,QXDHYSHOINNEAZ-UHFFFAOYSA-N
HMDB30079,426.386166222,C30H50O,CC(CCC(C)C(C)=C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3,"InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h20-24,27,31H,1,9-18H2,2-8H3",ZNGUCFLTOCTQKJ,UHFFFAOYSA,N,"4,14-Dimethylergosta-8,25-dien-3-ol",ZNGUCFLTOCTQKJ-UHFFFAOYSA-N
HMDB30080,366.110338308,C21H18O6,C\C(CC1OC(=O)C(C)=C1)=C\COC1=C2OC(=O)C=CC2=CC2=C1OC=C2,"InChI=1S/C21H18O6/c1-12(9-16-10-13(2)21(23)26-16)5-7-25-20-18-15(6-8-24-18)11-14-3-4-17(22)27-19(14)20/h3-6,8,10-11,16H,7,9H2,1-2H3/b12-5-",XVVBVBKVMMNZHB,XGICHPGQSA,N,Wampetin,XVVBVBKVMMNZHB-XGICHPGQSA-N
HMDB30081,376.152203122,C20H24O7,COC1=C(O)C=CC(CC2COC(O)C2(O)CC2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C20H24O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,19,21-24H,7,10-11H2,1-2H3",LHQJDCXEZZAFKD,UHFFFAOYSA,N,Carissanol,LHQJDCXEZZAFKD-UHFFFAOYSA-N
HMDB30082,412.209718,C21H32O8,CC(C)CC(=O)C1=C(O)C(O)(C(CC(O)C(C)(C)O)C1=O)C(=O)CC1OC1(C)C,"InChI=1S/C21H32O8/c1-10(2)7-12(22)16-17(25)11(8-13(23)19(3,4)27)21(28,18(16)26)14(24)9-15-20(5,6)29-15/h10-11,13,15,23,26-28H,7-9H2,1-6H3",ZBRPCUWVJNPMIY,UHFFFAOYSA,N,"5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one",ZBRPCUWVJNPMIY-UHFFFAOYSA-N
HMDB30083,174.161979948,C10H22O2,CC(CCO)CCCC(C)(C)O,"InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3",FPCCDPXRNNVUOM,UHFFFAOYSA,N,(±)-Hydroxycitronellol,FPCCDPXRNNVUOM-UHFFFAOYSA-N
HMDB30084,506.178811802,C25H30O11,CC12CC(OC(=O)C1CC(OC1OC(CO)C(O)C(O)C1O)=C1C3CC(CC21)OC3=O)C1=COC=C1,"InChI=1S/C25H30O11/c1-25-7-16(10-2-3-32-9-10)34-23(31)14(25)6-15(18-12-4-11(5-13(18)25)33-22(12)30)35-24-21(29)20(28)19(27)17(8-26)36-24/h2-3,9,11-14,16-17,19-21,24,26-29H,4-8H2,1H3",KXNADXBKEHOTDP,UHFFFAOYSA,N,Diosbulbinoside D,KXNADXBKEHOTDP-UHFFFAOYSA-N
HMDB30085,474.298139076,C28H42O6,CC(C1CCC2C3C(O)CC4C(O)CCC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(=O)O1,"InChI=1S/C28H42O6/c1-14(21-13-26(3)28(5,34-26)24(32)33-21)15-6-7-16-23-17(10-11-25(15,16)2)27(4)18(12-20(23)30)19(29)8-9-22(27)31/h14-21,23,29-30H,6-13H2,1-5H3",DGMHVWLIESGCSH,UHFFFAOYSA,N,Pubescenol,DGMHVWLIESGCSH-UHFFFAOYSA-N
HMDB30087,372.1572885,C21H24O6,COC1=CC=C(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(O)C=C2)C=C1OC,"InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1",NQWVSMVXKMHKTF,JKSUJKDBSA,N,(-)-Arctigenin,NQWVSMVXKMHKTF-JKSUJKDBSA-N
HMDB30088,136.125200512,C10H16,CC(C)=CC\C=C(\C)C=C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8-",IHPKGUQCSIINRJ,NTMALXAHSA,N,cis-Ocimene,IHPKGUQCSIINRJ-NTMALXAHSA-N
HMDB30089,136.125200512,C10H16,CC(C)=CC\C=C(/C)C=C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+",IHPKGUQCSIINRJ,CSKARUKUSA,N,trans-Ocimen,IHPKGUQCSIINRJ-CSKARUKUSA-N
HMDB30090,286.084123558,C16H14O5,[H][C@]1(CC(=O)C2=C(O1)C=C(OC)C=C2O)C1=CC=C(O)C=C1,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",DJOJDHGQRNZXQQ,AWEZNQCLSA,N,Sakuranetin,DJOJDHGQRNZXQQ-AWEZNQCLSA-N
HMDB30091,179.079372531,C6H13NO5,N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1",MSWZFWKMSRAUBD,QZABAPFNSA,N,beta-D-Glucosamine,MSWZFWKMSRAUBD-QZABAPFNSA-N
HMDB30092,436.500802048,C31H64,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3",IUJAMGNYPWYUPM,UHFFFAOYSA,N,Hentriacontane,IUJAMGNYPWYUPM-UHFFFAOYSA-N
HMDB30093,516.126776232,C25H24O12,O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@H]1O)(OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1",YDDUMTOHNYZQPO,RVXRWRFUSA,N,"1,5-Dicaffeoylquinic acid",YDDUMTOHNYZQPO-RVXRWRFUSA-N
HMDB30094,456.360345402,C30H48O3,CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12)C(O)=O,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",QGJZLNKBHJESQX,UHFFFAOYSA,N,Betulinic acid,QGJZLNKBHJESQX-UHFFFAOYSA-N
HMDB30095,388.115817616,C20H20O8,COC1=CC2=C(C(O)=C1OC)C(=O)C(OC)=C(O2)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3",RIGYMJVFEJNCKD,UHFFFAOYSA,N,Artemetin,RIGYMJVFEJNCKD-UHFFFAOYSA-N
HMDB30096,621.109174374,C27H25O17,O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1OC(=O)CC(O)=O,"InChI=1S/C27H24O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-27,38-39H,7-9H2,(H5-,28,29,30,31,32,33,34,35)/p+1/t18-,23-,24-,26+,27-/m1/s1",CXGHPQSURHQOBH,MQWSOPDOSA,O,"Cyanidin 3-(3'',6''-dimalonylglucoside)",CXGHPQSURHQOBH-MQWSOPDOSA-O
HMDB30097,184.023254636,C5H4N4O4,OC12NC(=O)N=C1NC(=O)NC2=O,"InChI=1S/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)",LTQYPAVLAYVKTK,UHFFFAOYSA,N,5-Hydroxyisourate,LTQYPAVLAYVKTK-UHFFFAOYSA-N
HMDB30098,855.255898188,C38H47O22,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=C)CC(O)=C)O[C@@H](OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C38H46O22/c1-13(41)5-14(2)53-12-25-28(47)35(60-37-32(51)30(49)27(46)24(11-40)58-37)33(52)38(59-25)56-22-9-17-18(43)7-16(42)8-21(17)54-34(22)15-3-4-20(19(44)6-15)55-36-31(50)29(48)26(45)23(10-39)57-36/h3-4,6-9,23-33,35-40,45-52H,1-2,5,10-12H2,(H3-,41,42,43,44)/p+1/t23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,35+,36-,37+,38-/m1/s1",QYFIWOPASKQLKB,AVFAFASWSA,O,Cyanidin 3-(3-glucosyl-6-malonylglucoside) 4'-glucoside,QYFIWOPASKQLKB-AVFAFASWSA-O
HMDB30099,611.140080572,C30H27O14,OC[C@H]1O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@@H]1O,"InChI=1S/C30H26O14/c31-12-23-26(39)29(44-24(37)6-3-13-1-4-15(32)5-2-13)27(40)30(43-23)42-22-11-17-18(34)9-16(33)10-21(17)41-28(22)14-7-19(35)25(38)20(36)8-14/h1-11,23,26-27,29-31,39-40H,12H2,(H5-,32,33,34,35,36,37,38)/p+1/t23-,26-,27-,29+,30-/m1/s1",NZVJDUGETACNKD,XMIMKILASA,O,Delphinidin 3-(3''-p-coumaroylglucoside),NZVJDUGETACNKD-XMIMKILASA-O
HMDB30100,598.438595722,C41H58O3,C[C@@H]1C[C@@]2(C)O[C@H](C=C2C(C)(C)C1)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C=[C@]=C1C(C)(C)C[C@H](O)C[C@@]1(C)O,"InChI=1S/C41H58O3/c1-29(18-14-19-31(3)22-23-36-39(8,9)27-34(42)28-40(36,10)43)16-12-13-17-30(2)20-15-21-33(5)35-24-37-38(6,7)25-32(4)26-41(37,11)44-35/h12-22,24,32,34-35,42-43H,25-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,33-21+/t23-,32-,34-,35+,40+,41+/m0/s1",CLGFMDWNSYMFRK,NMRGWMEGSA,N,(8'R)-Neochrome,CLGFMDWNSYMFRK-NMRGWMEGSA-N
HMDB30101,318.219494826,C20H30O3,CCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(OC)C=C1,"InChI=1S/C20H30O3/c1-4-5-6-7-8-9-10-11-18(21)14-12-17-13-15-19(22-2)20(16-17)23-3/h10-11,13,15-16H,4-9,12,14H2,1-3H3/b11-10+",ZNOLGYFCFIVHQI,ZHACJKMWSA,N,Methyl [8]-Shogaol,ZNOLGYFCFIVHQI-ZHACJKMWSA-N
HMDB30102,264.136159128,C15H20O4,CC(C)=CCC1(CC=C(C)C)C(=O)C(O)=C(O)C1=O,"InChI=1S/C15H20O4/c1-9(2)5-7-15(8-6-10(3)4)13(18)11(16)12(17)14(15)19/h5-6,16-17H,7-8H2,1-4H3",KKNXLCGOZLVUHL,UHFFFAOYSA,N,Hulupinic acid,KKNXLCGOZLVUHL-UHFFFAOYSA-N
HMDB30103,332.198759384,C20H28O4,CC(C)CC(=O)C1=C(O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O,"InChI=1S/C20H28O4/c1-12(2)7-9-20(10-8-13(3)4)18(23)16(17(22)19(20)24)15(21)11-14(5)6/h7-8,14,22H,9-11H2,1-6H3",YDAFVJGIRJZGKB,UHFFFAOYSA,N,Hulupone,YDAFVJGIRJZGKB-UHFFFAOYSA-N
HMDB30104,266.151809192,C15H22O4,CC(C)CC(=O)C1=C(O)C(O)C(CC=C(C)C)C1=O,"InChI=1S/C15H22O4/c1-8(2)5-6-10-13(17)12(15(19)14(10)18)11(16)7-9(3)4/h5,9-10,14,18-19H,6-7H2,1-4H3",PPIJHFDNRWNWJU,UHFFFAOYSA,N,Humulinic acid A,PPIJHFDNRWNWJU-UHFFFAOYSA-N
HMDB30105,378.204238692,C21H30O6,CC(C)CC(=O)C1=C(O)C(O)(C(=O)CC=C(C)C)C(O)(CC=C(C)C)C1=O,"InChI=1S/C21H30O6/c1-12(2)7-8-16(23)21(27)19(25)17(15(22)11-14(5)6)18(24)20(21,26)10-9-13(3)4/h7,9,14,25-27H,8,10-11H2,1-6H3",SAIULYGEZGWEDU,UHFFFAOYSA,N,Humulinone,SAIULYGEZGWEDU-UHFFFAOYSA-N
HMDB30106,466.126382302,C25H22O9,COC1=C(O)C=CC(=C1)C1OC2=C(O)C=CC(C3CC(=O)C4=C(O)C=C(O)C=C4O3)=C2C1CO,"InChI=1S/C25H22O9/c1-32-20-6-11(2-4-15(20)28)24-14(10-26)22-13(3-5-16(29)25(22)34-24)19-9-18(31)23-17(30)7-12(27)8-21(23)33-19/h2-8,14,19,24,26-30H,9-10H2,1H3",ODFCTVKAFKIYJI,UHFFFAOYSA,N,Neosilyhermin A,ODFCTVKAFKIYJI-UHFFFAOYSA-N
HMDB30107,342.13146768,C16H22O8,CC(C)CC(=O)C1=C(O)C(O)(C(=O)CC(O)C(C)(C)O)C(=O)C1=O,"InChI=1S/C16H22O8/c1-7(2)5-8(17)11-12(20)14(22)16(24,13(11)21)10(19)6-9(18)15(3,4)23/h7,9,18,21,23-24H,5-6H2,1-4H3",VLAQNGQRJDXOQS,UHFFFAOYSA,N,"3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione",VLAQNGQRJDXOQS-UHFFFAOYSA-N
HMDB30108,418.141638436,C25H22O6,CC(C)=CC1OC2=C(C=CC(O)=C2)C2=C1C(=O)C1=C(O2)C=C2OC(C)(C)C=CC2=C1O,"InChI=1S/C25H22O6/c1-12(2)9-18-21-23(28)20-19(11-17-14(22(20)27)7-8-25(3,4)31-17)30-24(21)15-6-5-13(26)10-16(15)29-18/h5-11,18,26-27H,1-4H3",UEENYRGPBCHSLB,UHFFFAOYSA,N,Cudraflavone A,UEENYRGPBCHSLB-UHFFFAOYSA-N
HMDB30109,558.13146768,C34H22O8,CC1=CC2=C3C(=C1)C1=C(O)C=C(C=C1OC3(OC1=C2C=CC(O)=C1)C1=C(O)C=C(O)C=C1)C1=CC2=C(O1)C=C(O)C=C2,"InChI=1S/C34H22O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-15,35-39H,1H3",SMHBZVSVLIBGGO,UHFFFAOYSA,N,Albanol B,SMHBZVSVLIBGGO-UHFFFAOYSA-N
HMDB30110,260.104859,C15H16O4,COC1=C(O)C2=C(C=CC(=O)O2)C(=C1)C(C)(C)C=C,"InChI=1S/C15H16O4/c1-5-15(2,3)10-8-11(18-4)13(17)14-9(10)6-7-12(16)19-14/h5-8,17H,1H2,2-4H3",KATNIMBVOAPAGX,UHFFFAOYSA,N,Celerin,KATNIMBVOAPAGX-UHFFFAOYSA-N
HMDB30111,316.094688244,C17H16O6,COC1=CC(OC)=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3",LMLDNMHDNFCNCW,UHFFFAOYSA,N,Homoferreirin,LMLDNMHDNFCNCW-UHFFFAOYSA-N
HMDB30112,678.246497436,C40H38O10,CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=CC(C(=O)\C=C\C3=C(O)C=C(O)C=C3)=C2O)C2=C(O)C=C(O)C=C2)=C1O,"InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+",KBAPHKOHTBBCTO,AWNIVKPZSA,N,Kuwanon J,KBAPHKOHTBBCTO-AWNIVKPZSA-N
HMDB30113,662.251582814,C40H38O9,CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=CC(C(=O)\C=C\C3=C(O)C=C(O)C=C3)=C2O)C2=CC=C(O)C=C2)=C1O,"InChI=1S/C40H38O9/c1-21(2)4-12-27-33(44)16-14-29(38(27)47)40(49)36-30(23-5-9-25(41)10-6-23)18-22(3)19-31(36)37-34(45)17-13-28(39(37)48)32(43)15-8-24-7-11-26(42)20-35(24)46/h4-11,13-17,19-20,30-31,36,41-42,44-48H,12,18H2,1-3H3/b15-8+",WDCSNUYKXLXPBM,OVCLIPMQSA,N,Kuwanon Q,WDCSNUYKXLXPBM-OVCLIPMQSA-N
HMDB30114,662.251582814,C40H38O9,CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C(=CC=C2O)C(=O)\C=C\C2=CC=C(O)C=C2)C2=CC=C(O)C=C2O)=C1O,"InChI=1S/C40H38O9/c1-21(2)4-11-27-33(44)16-14-29(38(27)47)40(49)36-30(26-12-10-25(42)20-35(26)46)18-22(3)19-31(36)37-34(45)17-13-28(39(37)48)32(43)15-7-23-5-8-24(41)9-6-23/h4-10,12-17,19-20,30-31,36,41-42,44-48H,11,18H2,1-3H3/b15-7+",LSWPUMCBBKEXMW,VIZOYTHASA,N,Kuwanon R,LSWPUMCBBKEXMW-VIZOYTHASA-N
HMDB30115,646.256668192,C40H38O8,CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=CC(C(=O)\C=C\C3=CC=C(O)C=C3)=C2O)C2=CC=C(O)C=C2)=C1O,"InChI=1S/C40H38O8/c1-22(2)4-14-28-34(44)18-16-30(38(28)46)40(48)36-31(25-8-12-27(42)13-9-25)20-23(3)21-32(36)37-35(45)19-15-29(39(37)47)33(43)17-7-24-5-10-26(41)11-6-24/h4-13,15-19,21,31-32,36,41-42,44-47H,14,20H2,1-3H3/b17-7+",SUQUIVSLHDOSQP,REZTVBANSA,N,Kuwanon V,SUQUIVSLHDOSQP-REZTVBANSA-N
HMDB30116,520.267232878,C28H40O9,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4OC5CC(=O)C(C)(C3CCC12C)C4(O)C5O,"InChI=1S/C28H40O9/c1-13-10-19(37-22(31)14(13)2)25(5,32)27(34)9-8-26(33)16-11-20-28(35)21(30)17(36-20)12-18(29)24(28,4)15(16)6-7-23(26,27)3/h15-17,19-21,30,32-35H,6-12H2,1-5H3",DMAZCUJZFYKTRY,UHFFFAOYSA,N,Withaperuvin D,DMAZCUJZFYKTRY-UHFFFAOYSA-N
HMDB30117,1082.55090368,C51H86O24,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C51H86O24/c1-20(19-67-45-39(62)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-48-42(65)44(74-47-41(64)38(61)35(58)30(17-54)71-47)43(31(18-55)72-48)73-46-40(63)37(60)34(57)29(16-53)70-46/h20-48,52-66H,5-19H2,1-4H3",RZZKWHQUBSTBSP,UHFFFAOYSA,N,Asparagoside G,RZZKWHQUBSTBSP-UHFFFAOYSA-N
HMDB30118,1228.608812488,C57H96O28,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C57H96O28/c1-21(19-75-50-43(69)40(66)36(62)30(16-58)79-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)78-54-49(84-53-46(72)42(68)38(64)32(18-60)81-53)47(73)48(83-52-45(71)39(65)35(61)23(3)77-52)33(82-54)20-76-51-44(70)41(67)37(63)31(17-59)80-51/h21-54,58-74H,6-20H2,1-5H3",SUHZCFHVHYUSEP,UHFFFAOYSA,N,Sarsaparilloside,SUHZCFHVHYUSEP-UHFFFAOYSA-N
HMDB30119,488.277403634,C28H40O7,CC1C(CC(O)C(C)(O)C2(O)CCC3(O)C4CC=C5CC=CC(=O)C5(C)C4CCC23C)COC1=O,"InChI=1S/C28H40O7/c1-16-17(15-35-23(16)31)14-22(30)26(4,32)28(34)13-12-27(33)20-9-8-18-6-5-7-21(29)25(18,3)19(20)10-11-24(27,28)2/h5,7-8,16-17,19-20,22,30,32-34H,6,9-15H2,1-4H3",GRNQXNIWEPWACV,UHFFFAOYSA,N,Perulactone B,GRNQXNIWEPWACV-UHFFFAOYSA-N
HMDB30120,292.094688244,C15H16O6,CC(C)(O)C1CC2=C(O)C3=C(OC(CO)=CC3=O)C=C2O1,"InChI=1S/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3",FHCHSXPHLRBEBR,UHFFFAOYSA,N,(S)-Angelicain,FHCHSXPHLRBEBR-UHFFFAOYSA-N
HMDB30121,626.178811802,C35H30O11,CC1=CC(C(C(C1)C1=C(O)C=C(O)C=C1)C(=O)C1=CC(O)=CC(O)=C1)C1=C(O)C=CC(C2CC(=O)C3=C(O)C=C(O)C=C3O2)=C1O,"InChI=1S/C35H30O11/c1-15-6-23(21-3-2-17(36)11-26(21)41)31(34(44)16-8-18(37)10-19(38)9-16)24(7-15)32-25(40)5-4-22(35(32)45)29-14-28(43)33-27(42)12-20(39)13-30(33)46-29/h2-5,7-13,23-24,29,31,36-42,45H,6,14H2,1H3",CGTTUVXZNTWSEC,UHFFFAOYSA,N,Kuwanon L,CGTTUVXZNTWSEC-UHFFFAOYSA-N
HMDB30122,692.225761994,C40H36O11,CC(C)=CCC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=C(O)C(C2C=C(C)CC(C2C(=O)C2=CC(O)=CC(O)=C2)C2=C(O)C=C(O)C=C2)=C(O)C=C1,"InChI=1S/C40H36O11/c1-18(2)4-6-26-39(50)36-32(47)16-24(44)17-33(36)51-40(26)27-8-9-30(45)35(38(27)49)29-11-19(3)10-28(25-7-5-21(41)15-31(25)46)34(29)37(48)20-12-22(42)14-23(43)13-20/h4-5,7-9,11-17,28-29,34,41-47,49H,6,10H2,1-3H3",PXUBAFYIWPSTAV,UHFFFAOYSA,N,Kuwanon K,PXUBAFYIWPSTAV-UHFFFAOYSA-N
HMDB30123,400.370516158,C28H48O,CC(C)C(C)CCC(C)C1CCC2=C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24,26,29H,7-17H2,1-6H3",AWYDNKRGSOPYQB,UHFFFAOYSA,N,"(3beta,5alpha,24S)-Ergost-8(14)-en-3-ol",AWYDNKRGSOPYQB-UHFFFAOYSA-N
HMDB30124,86.073164942,C5H10O,CC(C)=CCO,"InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3",ASUAYTHWZCLXAN,UHFFFAOYSA,N,Prenol,ASUAYTHWZCLXAN-UHFFFAOYSA-N
HMDB30125,412.370516158,C29H48O,CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4CC(O)CCC44CC34CCC12C,"InChI=1S/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h19,21-25,30H,3,7-18H2,1-2,4-6H3",AIPIOTMFPXYEQS,UHFFFAOYSA,N,24-Methylenepollinasterol,AIPIOTMFPXYEQS-UHFFFAOYSA-N
HMDB30126,86.073164942,C5H10O,CC(=C)CCO,"InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3",CPJRRXSHAYUTGL,UHFFFAOYSA,N,3-Methyl-3-buten-1-ol,CPJRRXSHAYUTGL-UHFFFAOYSA-N
HMDB30127,500.241018128,C28H36O8,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4OC44C(=O)C=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H36O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,20-21,32-34H,8-13H2,1-5H3",DHNMHYCYRGRLRY,UHFFFAOYSA,N,Withaperuvin E,DHNMHYCYRGRLRY-UHFFFAOYSA-N
HMDB30128,510.188982558,C28H30O9,CC12OC(=O)C3(O)CCC4C(CC=C5CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5,"InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3",HVTFEHJSUSPQBK,UHFFFAOYSA,N,Physalin B,HVTFEHJSUSPQBK-UHFFFAOYSA-N
HMDB30129,680.553231548,C48H72O2,CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=O)C(C)=C(C)C1=O,"InChI=1S/C48H72O2/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-46-35-47(49)44(10)45(11)48(46)50/h19,21,23,25,27,29,31,33,35H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23-,39-25+,40-27+,41-29+,42-31+,43-33+",XNCZYLCBNZVJPV,HADDTEFYSA,N,Plastoquinone 8,XNCZYLCBNZVJPV-HADDTEFYSA-N
HMDB30130,748.615831804,C53H80O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC1=CC(=O)C(C)=C(C)C1=O,"InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37-",FKUYMLZIRPABFK,RLAZMVNUSA,N,Plastoquinone 9,FKUYMLZIRPABFK-RLAZMVNUSA-N
HMDB30131,290.07903818,C15H14O6,COC1=C2OC3=CC(O)=CC=C3C2=C(OC)C(O)=C1OC,"InChI=1S/C15H14O6/c1-18-12-10-8-5-4-7(16)6-9(8)21-13(10)15(20-3)14(19-2)11(12)17/h4-6,16-17H,1-3H3",KHGAPBYQBHBCBX,UHFFFAOYSA,N,gamma-Pyrufuran,KHGAPBYQBHBCBX-UHFFFAOYSA-N
HMDB30132,738.41904207,C39H62O13,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)(O)CO1,"InChI=1S/C39H62O13/c1-18-27-25(52-39(18)13-12-36(3,46)17-47-39)15-24-22-7-6-20-14-21(8-10-37(20,4)23(22)9-11-38(24,27)5)49-35-33(31(44)29(42)26(16-40)50-35)51-34-32(45)30(43)28(41)19(2)48-34/h6,18-19,21-35,40-46H,7-17H2,1-5H3",PLYWNQLDOZOLOC,UHFFFAOYSA,N,Isonuatigenin 3-[rhamnosyl-(1->2)-glucoside],PLYWNQLDOZOLOC-UHFFFAOYSA-N
HMDB30133,538.199153314,C33H30O7,CC1=CC2C3C(C)(C1)C1=C(OC4=CC(C)=CC(O)=C14)C(O)C3(O)OC1=CC3=C(C4=C(O)C=C(C)C=C4O3)C(C)=C21,"InChI=1S/C33H30O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30-31,34-37H,12H2,1-5H3",JCRLYBYVQJKZSH,UHFFFAOYSA,N,Asticolorin A,JCRLYBYVQJKZSH-UHFFFAOYSA-N
HMDB30134,536.18350325,C33H28O7,CC1=CC2C3C(C)(C1)C1=C(OC4=CC(C)=CC(O)=C14)C(=O)C3(O)OC1=CC3=C(C4=C(O)C=C(C)C=C4O3)C(C)=C21,"InChI=1S/C33H28O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30,34-35,37H,12H2,1-5H3",QPGYUCLUVQROTF,UHFFFAOYSA,N,Asticolorin B,QPGYUCLUVQROTF-UHFFFAOYSA-N
HMDB30135,568.173332494,C33H28O9,CC1=CC2C3C(C)(C1)C1=C(OC4=CC(CO)=CC(O)=C14)C(=O)C3(O)OC1=CC3=C(C4=C(O)C=C(CO)C=C4O3)C(C)=C21,"InChI=1S/C33H28O9/c1-13-4-17-24-14(2)25-22(40-20-7-15(11-34)5-18(36)26(20)25)9-23(24)42-33(39)30(17)32(3,10-13)28-27-19(37)6-16(12-35)8-21(27)41-29(28)31(33)38/h4-9,17,30,34-37,39H,10-12H2,1-3H3",XVQCWVVYGNETPD,UHFFFAOYSA,N,Asticolorin C,XVQCWVVYGNETPD-UHFFFAOYSA-N
HMDB30136,332.198759384,C20H28O4,CCC(C)C(=O)C1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O,"InChI=1S/C20H28O4/c1-7-14(6)16(21)15-17(22)19(24)20(18(15)23,10-8-12(2)3)11-9-13(4)5/h8-9,14-15H,7,10-11H2,1-6H3",GDCZKZRPSCZJKH,UHFFFAOYSA,N,Adhulupone,GDCZKZRPSCZJKH-UHFFFAOYSA-N
HMDB30137,266.151809192,C15H22O4,CCC(C)C(=O)C1C(=O)C(O)C(CC=C(C)C)C1=O,"InChI=1S/C15H22O4/c1-5-9(4)12(16)11-13(17)10(7-6-8(2)3)14(18)15(11)19/h6,9-11,14,18H,5,7H2,1-4H3",XMZNDMLSWVBOKQ,UHFFFAOYSA,N,Adhumulinic acid,XMZNDMLSWVBOKQ-UHFFFAOYSA-N
HMDB30138,362.20932407,C21H30O5,CCC(C)C(=O)C1=C(O)C(CC=C(C)C)C(=O)C(O)(CC=C(C)C)C1=O,"InChI=1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14-15,23,26H,7,9,11H2,1-6H3",VISQWZWNDCYFMY,UHFFFAOYSA,N,Adhumulone,VISQWZWNDCYFMY-UHFFFAOYSA-N
HMDB30139,398.354866094,C28H46O,CC(C)CC(C)CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7-8,18-20,22,24-26,29H,9-17H2,1-6H3",LATVVKIIEPSSHS,UHFFFAOYSA,N,"22,23-Dihydroergosterol",LATVVKIIEPSSHS-UHFFFAOYSA-N
HMDB30140,414.277009704,C26H38O4,CCC(C)C(=O)C1=C(O)C(CC=C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O,"InChI=1S/C26H38O4/c1-9-19(8)22(27)21-23(28)20(11-10-16(2)3)24(29)26(25(21)30,14-12-17(4)5)15-13-18(6)7/h10,12-13,19-20,28H,9,11,14-15H2,1-8H3",FHYRSQGERVECQU,UHFFFAOYSA,N,Adlupulone,FHYRSQGERVECQU-UHFFFAOYSA-N
HMDB30141,336.099773622,C20H16O5,CC(C)=CCC1=C(O)C=CC2=C1OC1=C2C(=O)OC2=C1C=CC(O)=C2,"InChI=1S/C20H16O5/c1-10(2)3-5-12-15(22)8-7-14-17-19(25-18(12)14)13-6-4-11(21)9-16(13)24-20(17)23/h3-4,6-9,21-22H,5H2,1-2H3",MQKLGUOASGICKG,UHFFFAOYSA,N,Isosojagol,MQKLGUOASGICKG-UHFFFAOYSA-N
HMDB30142,520.222781245,C28H37ClO7,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CC=C2C3CC(Cl)C4(O)C(O)C=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H37ClO7/c1-14-12-22(36-23(32)15(14)2)26(5,33)27(34)11-9-17-16-13-19(29)28(35)21(31)7-6-20(30)25(28,4)18(16)8-10-24(17,27)3/h6-7,9,16,18-19,21-22,31,33-35H,8,10-13H2,1-5H3",BSLUVQZIEQFEOT,UHFFFAOYSA,N,Physalolactone C,BSLUVQZIEQFEOT-UHFFFAOYSA-N
HMDB30143,230.151809192,C12H22O4,CCC1CCC2(CC(O)C(CO)CO2)OC1,"InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3",VDWRKBZMQNPUOB,UHFFFAOYSA,N,Talaromycin A,VDWRKBZMQNPUOB-UHFFFAOYSA-N
HMDB30144,290.07903818,C15H14O6,COC1=C2OC3=C(C=CC(O)=C3OC)C2=CC(O)=C1OC,"InChI=1S/C15H14O6/c1-18-13-9(16)5-4-7-8-6-10(17)14(19-2)15(20-3)12(8)21-11(7)13/h4-6,16-17H,1-3H3",SHQNKPHNRFEQQD,UHFFFAOYSA,N,alpha-Cotonefuran,SHQNKPHNRFEQQD-UHFFFAOYSA-N
HMDB30145,276.099773622,C15H16O5,CCC(C)C1=C(C)C2=CC(=O)C(C(O)=O)=C(O)C2=CO1,"InChI=1S/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,17H,4H2,1-3H3,(H,18,19)",DZBCEUTUWOWUDY,UHFFFAOYSA,N,Ascochitine,DZBCEUTUWOWUDY-UHFFFAOYSA-N
HMDB30146,266.167065326,C19H22O,OC(CC\C=C/C1=CC=CC=C1)CCC1=CC=CC=C1,"InChI=1S/C19H22O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-7,9-13,19-20H,8,14-16H2/b13-7-",DPRCKWANIKZGTF,QPEQYQDCSA,N,"(3xi,6E)-1,7-Diphenyl-6-hepten-3-ol",DPRCKWANIKZGTF-QPEQYQDCSA-N
HMDB30147,376.224974134,C22H32O5,CC(C)CCC(=O)C1=C(O)C(O)(CC=C(C)C)C(=O)C(CC=C(C)C)C1=O,"InChI=1S/C22H32O5/c1-13(2)7-9-16-19(24)18(17(23)10-8-14(3)4)21(26)22(27,20(16)25)12-11-15(5)6/h7,11,14,16,26-27H,8-10,12H2,1-6H3",RWECBKPOUYVUPL,UHFFFAOYSA,N,Prehumulone,RWECBKPOUYVUPL-UHFFFAOYSA-N
HMDB30148,280.167459256,C16H24O4,CC(C)CCC(=O)C1=C(O)C(O)C(CC=C(C)C)C1=O,"InChI=1S/C16H24O4/c1-9(2)5-7-11-14(18)13(16(20)15(11)19)12(17)8-6-10(3)4/h5,10-11,15,19-20H,6-8H2,1-4H3",NFUYEMRFZRYITM,UHFFFAOYSA,N,Prehumulinic acid,NFUYEMRFZRYITM-UHFFFAOYSA-N
HMDB30149,424.188588628,C25H28O6,CC(C)=CCC1=C(O)C2=C(OCC(C2=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2)C=C1O,"InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)28)18-12-31-21-11-20(27)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3",RIWDYFGEQJAMKI,UHFFFAOYSA,N,Glisoflavanone,RIWDYFGEQJAMKI-UHFFFAOYSA-N
HMDB30150,208.109944378,C12H16O3,O=C1CCC2CC(=O)OCC\C=C/CC12,"InChI=1S/C12H16O3/c13-11-6-5-9-8-12(14)15-7-3-1-2-4-10(9)11/h1-2,9-10H,3-8H2/b2-1-",DINQMNROFIPFOH,UPHRSURJSA,N,Jasmine ketolactone,DINQMNROFIPFOH-UPHRSURJSA-N
HMDB30151,456.396730908,C31H52O2,CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C,"InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3",PBWOIPCULUXTNY,UHFFFAOYSA,N,beta-Sitosterol acetate,PBWOIPCULUXTNY-UHFFFAOYSA-N
HMDB30152,286.120509064,C17H18O4,COC1=CC(OC)=C2CCC(OC2=C1)C1=CC=C(O)C=C1,"InChI=1S/C17H18O4/c1-19-13-9-16(20-2)14-7-8-15(21-17(14)10-13)11-3-5-12(18)6-4-11/h3-6,9-10,15,18H,7-8H2,1-2H3",AVMGPGZQJKDABF,UHFFFAOYSA,N,"4'-Hydroxy-5,7-dimethoxyflavan",AVMGPGZQJKDABF-UHFFFAOYSA-N
HMDB30153,476.241018128,C26H36O8,COC(=O)CCC1(C)C2CC3=C(OC2(C)CC(O)C1C(C)(C)O)C(C)=C1COC(=O)C1=C3OC,"InChI=1S/C26H36O8/c1-13-15-12-33-23(29)19(15)21(32-7)14-10-17-25(4,9-8-18(28)31-6)22(24(2,3)30)16(27)11-26(17,5)34-20(13)14/h16-17,22,27,30H,8-12H2,1-7H3",LQLBJBHPDHBGLH,UHFFFAOYSA,N,Austalide H,LQLBJBHPDHBGLH-UHFFFAOYSA-N
HMDB30154,518.251582814,C28H38O9,COC(=O)CCC1(C)C2CC3=C(OC2(C)CC(OC(C)=O)C1C(C)(C)O)C(C)=C1COC(=O)C1=C3OC,"InChI=1S/C28H38O9/c1-14-17-13-35-25(31)21(17)23(34-8)16-11-19-27(5,10-9-20(30)33-7)24(26(3,4)32)18(36-15(2)29)12-28(19,6)37-22(14)16/h18-19,24,32H,9-13H2,1-8H3",ZOYRWINBLNBGCP,UHFFFAOYSA,N,Austalide G,ZOYRWINBLNBGCP-UHFFFAOYSA-N
HMDB30155,486.225368064,C27H34O8,COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(OC(C)=O)C3C1(C)CCC(=O)OC3(C)C)O2,"InChI=1S/C27H34O8/c1-13-16-12-32-24(30)20(16)22(31-7)15-10-18-26(5)9-8-19(29)34-25(3,4)23(26)17(33-14(2)28)11-27(18,6)35-21(13)15/h17-18,23H,8-12H2,1-7H3",XBPVWACQUMEORV,UHFFFAOYSA,N,Austalide I,XBPVWACQUMEORV-UHFFFAOYSA-N
HMDB30156,444.214803378,C25H32O7,COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CCC3(O)C1(C)CCC(=O)OC3(C)C)O2,"InChI=1S/C25H32O7/c1-13-15-12-30-21(27)18(15)20(29-6)14-11-16-23(4)8-7-17(26)31-22(2,3)25(23,28)10-9-24(16,5)32-19(13)14/h16,28H,7-12H2,1-6H3",GEOMINBWFXSCOW,UHFFFAOYSA,N,Austalide J,GEOMINBWFXSCOW-UHFFFAOYSA-N
HMDB30157,412.224974134,C25H32O5,COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CCC3C(C)(C)C(=O)CCC13C)O2,"InChI=1S/C25H32O5/c1-13-15-12-29-22(27)19(15)21(28-6)14-11-17-24(4)9-8-18(26)23(2,3)16(24)7-10-25(17,5)30-20(13)14/h16-17H,7-12H2,1-6H3",JCUWKPURUZEBFJ,UHFFFAOYSA,N,Austalide K,JCUWKPURUZEBFJ-UHFFFAOYSA-N
HMDB30158,428.219888756,C25H32O6,COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CCC3(O)C(C)(C)C(=O)CCC13C)O2,"InChI=1S/C25H32O6/c1-13-15-12-30-21(27)18(15)20(29-6)14-11-16-23(4)8-7-17(26)22(2,3)25(23,28)10-9-24(16,5)31-19(13)14/h16,28H,7-12H2,1-6H3",XTSSAALSNSPVIH,UHFFFAOYSA,N,Austalide L,XTSSAALSNSPVIH-UHFFFAOYSA-N
HMDB30159,334.032481918,C15H10O9,OC1=C(O)C=C(C=C1)C1=C(O)C(=O)C2=C(O)C(O)=C(O)C(O)=C2O1,"InChI=1S/C15H10O9/c16-5-2-1-4(3-6(5)17)14-12(22)9(19)7-8(18)10(20)11(21)13(23)15(7)24-14/h1-3,16-18,20-23H",IVVIBMKOLWEERH,UHFFFAOYSA,N,"3,3',4',5,6,7,8-Heptahydroxyflavone",IVVIBMKOLWEERH-UHFFFAOYSA-N
HMDB30160,418.126382302,C21H22O9,COC1=C(OC)C=C(C=C1)C1=C(O)C(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1,"InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-15(23)14(22)13-17(26-3)19(27-4)21(29-6)20(28-5)18(13)30-16/h7-9,23H,1-6H3",CCJBNIRSVUKABH,UHFFFAOYSA,N,Natsudaidain,CCJBNIRSVUKABH-UHFFFAOYSA-N
HMDB30161,418.126382302,C21H22O9,COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(O)C(OC)=C(OC)C(OC)=C2O1,"InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-18(26-3)14(22)13-15(23)19(27-4)21(29-6)20(28-5)17(13)30-16/h7-9,23H,1-6H3",JDVPHCLYMGBZLE,UHFFFAOYSA,N,"5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone",JDVPHCLYMGBZLE-UHFFFAOYSA-N
HMDB30162,400.224974134,C24H32O5,CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C24H32O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-20,25,27H,9-12,14H2,1-4H3",WNANPKYNOALKIV,UHFFFAOYSA,N,Nevskin,WNANPKYNOALKIV-UHFFFAOYSA-N
HMDB30163,398.20932407,C24H30O5,CC1CCC(C(CCC(O)=O)C1(C)COC1=CC2=C(C=CC(=O)O2)C=C1)=C(C)C,"InChI=1S/C24H30O5/c1-15(2)19-9-5-16(3)24(4,20(19)10-11-22(25)26)14-28-18-8-6-17-7-12-23(27)29-21(17)13-18/h6-8,12-13,16,20H,5,9-11,14H2,1-4H3,(H,25,26)",CVWWNYPTZYQCSE,UHFFFAOYSA,N,Galbanic acid,CVWWNYPTZYQCSE-UHFFFAOYSA-N
HMDB30164,374.172938564,C21H26O6,CCCC(=O)C1=C2OC(=O)C=C(CCC)C2=C2OC(CC2=C1O)C(C)(C)O,"InChI=1S/C21H26O6/c1-5-7-11-9-15(23)27-20-16(11)19-12(10-14(26-19)21(3,4)25)18(24)17(20)13(22)8-6-2/h9,14,24-25H,5-8,10H2,1-4H3",JTNLBEFPCCWLNM,UHFFFAOYSA,N,Cyclonormammein,JTNLBEFPCCWLNM-UHFFFAOYSA-N
HMDB30165,360.193674006,C21H28O5,CC(C)CC(=O)C1C(=O)C2(O)C(=O)CC3C(C)(C)C(CC23C1=O)C(C)=C,"InChI=1S/C21H28O5/c1-10(2)7-13(22)16-17(24)20-9-12(11(3)4)19(5,6)14(20)8-15(23)21(20,26)18(16)25/h10,12,14,16,26H,3,7-9H2,1-2,4-6H3",MFJWBSPRMQOETE,UHFFFAOYSA,N,Tricyclodehydroisohumulone,MFJWBSPRMQOETE-UHFFFAOYSA-N
HMDB30166,454.271924326,C28H38O5,CC(C)CC1C2CC\C(C)=C/C3C(CCC2(C)OC2=C(C=O)C(O)=C(C=O)C(O)=C12)C3(C)C,"InChI=1S/C28H38O5/c1-15(2)11-17-20-8-7-16(3)12-22-21(27(22,4)5)9-10-28(20,6)33-26-19(14-30)24(31)18(13-29)25(32)23(17)26/h12-15,17,20-22,31-32H,7-11H2,1-6H3/b16-12-",AGTXIGWLMDUUMQ,VBKFSLOCSA,N,Euglobal III,AGTXIGWLMDUUMQ-VBKFSLOCSA-N
HMDB30169,385.152537473,C21H23NO6,COC1OC2C(NCCC3=CC(OC)=C(OC)C=C23)C2=C1C1=C(OCO1)C=C2,"InChI=1S/C21H23NO6/c1-23-15-8-11-6-7-22-18-12-4-5-14-20(27-10-26-14)17(12)21(25-3)28-19(18)13(11)9-16(15)24-2/h4-5,8-9,18-19,21-22H,6-7,10H2,1-3H3",JEUAVYPZVKRQOZ,UHFFFAOYSA,N,Papaverrubine B,JEUAVYPZVKRQOZ-UHFFFAOYSA-N
HMDB30170,399.168187537,C22H25NO6,COC1OC2C(N(C)CCC3=CC(OC)=C(OC)C=C23)C2=C1C1=C(OCO1)C=C2,"InChI=1S/C22H25NO6/c1-23-8-7-12-9-16(24-2)17(25-3)10-14(12)20-19(23)13-5-6-15-21(28-11-27-15)18(13)22(26-4)29-20/h5-6,9-10,19-20,22H,7-8,11H2,1-4H3",STJFYCWYHROASW,UHFFFAOYSA,N,Glaudine,STJFYCWYHROASW-UHFFFAOYSA-N
HMDB30171,371.136887409,C20H21NO6,COC1=C(O)C=C2C3OC(O)C4=C(C=CC5=C4OCO5)C3N(C)CCC2=C1,"InChI=1S/C20H21NO6/c1-21-6-5-10-7-15(24-2)13(22)8-12(10)18-17(21)11-3-4-14-19(26-9-25-14)16(11)20(23)27-18/h3-4,7-8,17-18,20,22-23H,5-6,9H2,1-2H3",DPRSKEMBOBQDJV,UHFFFAOYSA,N,N-Methyl-14-O-demethylepiporphyroxine,DPRSKEMBOBQDJV-UHFFFAOYSA-N
HMDB30172,608.288637022,C37H40N2O6,COC1=C2OC3=C4C(CC5=CC=C(OC6=C(O)C=CC(CC7N(C)CCC(=C1)C7=C2)=C6)C=C5)N(C)CCC4=CC(OC)=C3OC,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3",HGNHIFJNOKGSKI,UHFFFAOYSA,N,Oxyacanthine,HGNHIFJNOKGSKI-UHFFFAOYSA-N
HMDB30173,683.07104859,C25H26BrN5O13,CC1(O)C(=O)N2C3C(O)=NC(O)=NC3=NCC2(O)C(C(=O)OC2C(O)C(O)C(O)C(O)C2O)C11C(O)=NC2=C1C=CC(Br)=C2,"InChI=1S/C25H26BrN5O13/c1-23(42)21(40)31-9-17(29-22(41)30-18(9)37)27-5-24(31,43)16(25(23)7-3-2-6(26)4-8(7)28-20(25)39)19(38)44-15-13(35)11(33)10(32)12(34)14(15)36/h2-4,9-16,32-36,42-43H,5H2,1H3,(H,28,39)(H2,27,29,30,37,41)",UVZLBJYVHGTOFH,UHFFFAOYSA,N,Surugatoxin,UVZLBJYVHGTOFH-UHFFFAOYSA-N
HMDB30174,622.304287086,C38H42N2O6,COC1=CC=C2CC3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)C5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(OC)C(OC)=C4,"InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3",WVTKBKWTSCPRNU,UHFFFAOYSA,N,Isotetrandrine,WVTKBKWTSCPRNU-UHFFFAOYSA-N
HMDB30175,149.084063979,C9H11NO,CC1C(O)CC2=CC=NC=C12,"InChI=1S/C9H11NO/c1-6-8-5-10-3-2-7(8)4-9(6)11/h2-3,5-6,9,11H,4H2,1H3",IOIGOIPHPUCFOB,UHFFFAOYSA,N,Venoterpine,IOIGOIPHPUCFOB-UHFFFAOYSA-N
HMDB30176,317.068807845,C19H11NO4,C1OC2=C(O1)C=C1C(C=CC3=C4C=CC5=C(OCO5)C4=CN=C13)=C2,"InChI=1S/C19H11NO4/c1-2-12-11-3-4-15-19(24-9-21-15)14(11)7-20-18(12)13-6-17-16(5-10(1)13)22-8-23-17/h1-7H,8-9H2",CNXVDVMAYXLWPD,UHFFFAOYSA,N,Norsanguinarine,CNXVDVMAYXLWPD-UHFFFAOYSA-N
HMDB30177,285.100107973,C16H15NO4,COC1=C(OC)C(O)=C2C(=O)C3=CC=CC=C3N(C)C2=C1,"InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3",ATBZZQPALSPNMF,UHFFFAOYSA,N,Arborinine,ATBZZQPALSPNMF-UHFFFAOYSA-N
HMDB30178,291.147058165,C16H21NO4,COC1=C(CC(O)C(C)(C)O)C(=O)N(C)C2=CC=CC=C12,"InChI=1S/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3",NHNXJYYEQLVCAZ,UHFFFAOYSA,N,(S)-Edulinine,NHNXJYYEQLVCAZ-UHFFFAOYSA-N
HMDB30179,205.073893223,C11H11NO3,COC1=CC(=O)NC2=C(OC)C=CC=C12,"InChI=1S/C11H11NO3/c1-14-8-5-3-4-7-9(15-2)6-10(13)12-11(7)8/h3-6H,1-2H3,(H,12,13)",HPPSTURWGYFXQN,UHFFFAOYSA,N,Edulitine,HPPSTURWGYFXQN-UHFFFAOYSA-N
HMDB30180,480.308703762,C27H44O7,CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3",NKDFYOWSKOHCCO,UHFFFAOYSA,N,Crustecdysone,NKDFYOWSKOHCCO-UHFFFAOYSA-N
HMDB30181,315.147058165,C18H21NO4,COC1CC23N(CCC2=CC1O)CCC1=CC2=C(OCO2)C=C31,"InChI=1S/C18H21NO4/c1-21-17-9-18-12(7-14(17)20)3-5-19(18)4-2-11-6-15-16(8-13(11)18)23-10-22-15/h6-8,14,17,20H,2-5,9-10H2,1H3",ZIAIDGYDHGYWBH,UHFFFAOYSA,N,Erythratine,ZIAIDGYDHGYWBH-UHFFFAOYSA-N
HMDB30182,204.068748266,C14H8N2,C1=CC=C2C(=C1)C1=NC=CC3=C1C2=NC=C3,InChI=1S/C14H8N2/c1-2-4-11-10(3-1)13-12-9(5-7-15-13)6-8-16-14(11)12/h1-8H,KIVUUVOREYMMFE,UHFFFAOYSA,N,Eupolauridine,KIVUUVOREYMMFE-UHFFFAOYSA-N
HMDB30183,349.204179113,C23H27NO2,CC1=CC2=C(NC3=C2C=CC=C3)C2=C1OC1(C)CCC(C2C1)C(C)(C)O,"InChI=1S/C23H27NO2/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,26-21(13)19)10-9-17(16)22(2,3)25/h5-8,11,16-17,24-25H,9-10,12H2,1-4H3",VAFPWCIGDGFJNB,UHFFFAOYSA,N,Murrayazolinine,VAFPWCIGDGFJNB-UHFFFAOYSA-N
HMDB30184,341.162708229,C20H23NO4,[H][C@@]12CC3=CC=C(OC)C(O)=C3C3=C(OC)C(OC)=CC(CCN1C)=C23,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",QELDJEKNFOQJOY,ZDUSSCGKSA,N,(S)-Isocorydine,QELDJEKNFOQJOY-ZDUSSCGKSA-N
HMDB30185,315.183443671,C19H25NO3,O=C(CCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1,"InChI=1S/C19H25NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h4,8,10-11,14H,1-3,5-7,9,12-13,15H2/b8-4+",MIWPBXQTBYPJEF,XBXARRHUSA,N,(E)-Piperolein A,MIWPBXQTBYPJEF-XBXARRHUSA-N
HMDB30186,383.246043927,C24H33NO3,CC(C)CCC\C=C\CCCC\N=C(/O)\C=C\C=C/C1=CC2=C(OCO2)C=C1,"InChI=1S/C24H33NO3/c1-20(2)12-8-6-4-3-5-7-11-17-25-24(26)14-10-9-13-21-15-16-22-23(18-21)28-19-27-22/h3-4,9-10,13-16,18,20H,5-8,11-12,17,19H2,1-2H3,(H,25,26)/b4-3+,13-9-,14-10+",URFYPQQKBYOWIX,SWZGVYIDSA,N,"(E,E,E)-Sylvatine",URFYPQQKBYOWIX-SWZGVYIDSA-N
HMDB30187,273.136493479,C16H19NO3,CC(C)C\N=C(/O)\C=C\C=C\C1=CC2=C(OCO2)C=C1,"InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+",WHAAPCGHVWVUEX,GGWOSOGESA,N,"(E,E)-Piperlonguminine",WHAAPCGHVWVUEX-GGWOSOGESA-N
HMDB30188,221.177964363,C14H23NO,C\C=C/CC\C=C/C=C/C(/O)=N/CC(C)C,"InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,15,16)/b5-4-,9-8-,11-10+",OCUXKVCDBHKIIP,ZIVSJQOCSA,N,"N-Isobutyl-2,4,8-decatrienamide",OCUXKVCDBHKIIP-ZIVSJQOCSA-N
HMDB30189,359.092435776,C19H18ClNO4,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(C)(O)CCl)C=C2O,"InChI=1S/C19H18ClNO4/c1-19(24,9-20)15-7-11-14(25-15)8-13(22)16-17(11)21(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,22,24H,7,9H2,1-2H3",PGOOUZZLZBIMRI,UHFFFAOYSA,N,Isogravacridonechlorine,PGOOUZZLZBIMRI-UHFFFAOYSA-N
HMDB30190,263.131014171,C18H17NO,CN(\C=C/C1=CC=CC=C1)C(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14-",VJGRWRRIAJQNFU,NQDQBVNISA,N,"(E,E)-Lansamide I",VJGRWRRIAJQNFU-NQDQBVNISA-N
HMDB30191,283.120843415,C17H17NO3,OC(C\N=C(/O)\C=C/C1=CC=CC=C1)C1=CC=C(O)C=C1,"InChI=1S/C17H17NO3/c19-15-9-7-14(8-10-15)16(20)12-18-17(21)11-6-13-4-2-1-3-5-13/h1-11,16,19-20H,12H2,(H,18,21)/b11-6-",CWMOJJSULWWJSO,WDZFZDKYSA,N,N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide,CWMOJJSULWWJSO-WDZFZDKYSA-N
HMDB30192,351.183443671,C22H25NO3,CC(C)=CCOC1=CC=C(C=C1)C(O)C\N=C(/O)\C=C/C1=CC=CC=C1,"InChI=1S/C22H25NO3/c1-17(2)14-15-26-20-11-9-19(10-12-20)21(24)16-23-22(25)13-8-18-6-4-3-5-7-18/h3-14,21,24H,15-16H2,1-2H3,(H,23,25)/b13-8-",AQBWTILJYRVPPH,JYRVWZFOSA,N,Marmeline,AQBWTILJYRVPPH-JYRVWZFOSA-N
HMDB30193,335.188529049,C22H25NO2,CC(C)=CCOC1=CC=C(CC\N=C(/O)\C=C/C2=CC=CC=C2)C=C1,"InChI=1S/C22H25NO2/c1-18(2)15-17-25-21-11-8-20(9-12-21)14-16-23-22(24)13-10-19-6-4-3-5-7-19/h3-13,15H,14,16-17H2,1-2H3,(H,23,24)/b13-10-",GDBYZGRXGDJMHH,RAXLEYEMSA,N,"N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide",GDBYZGRXGDJMHH-RAXLEYEMSA-N
HMDB30194,279.125928793,C18H17NO2,COC1=CC=C(\C=C/N=C(\O)/C=C\C2=CC=CC=C2)C=C1,"InChI=1S/C18H17NO2/c1-21-17-10-7-16(8-11-17)13-14-19-18(20)12-9-15-5-3-2-4-6-15/h2-14H,1H3,(H,19,20)/b12-9-,14-13-",ZNOWFEIVNQBQRT,PVFXFQJZSA,N,"(E,E)-N-4-Methoxystyrylcinnamide",ZNOWFEIVNQBQRT-PVFXFQJZSA-N
HMDB30195,229.073893223,C13H11NO3,COC1=CC=CC2=C1N=C1OC=CC1=C2OC,"InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3",KFBCTNNQFGONHB,UHFFFAOYSA,N,gamma-Fagarine,KFBCTNNQFGONHB-UHFFFAOYSA-N
HMDB30196,670.231516074,C40H34N2O8,CC1=CC(O)=C2C(=O)C3=C(O)C(C4CCCCN4)=C(O)C4=C3C3=C2C1=C1C(C)=CC(O)=C2C(=O)C5=C(O)C(C6CCCCN6)=C(O)C4=C5C3=C12,"InChI=1S/C40H34N2O8/c1-13-11-17(43)23-25-19(13)20-14(2)12-18(44)24-26(20)28-27(25)29-31(35(45)21(15-7-3-5-9-41-15)37(47)33(29)39(23)49)32-30(28)34(40(24)50)38(48)22(36(32)46)16-8-4-6-10-42-16/h11-12,15-16,41-48H,3-10H2,1-2H3",ROFJUMITFMRBRF,UHFFFAOYSA,N,Fagopyrine,ROFJUMITFMRBRF-UHFFFAOYSA-N
HMDB30197,208.109944378,C12H16O3,CC\C=C\CC1=C(CC(O)=O)CCC1=O,"InChI=1S/C12H16O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4H,2,5-8H2,1H3,(H,14,15)/b4-3+",QAAHGFINENUHAR,ONEGZZNKSA,N,(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid,QAAHGFINENUHAR-ONEGZZNKSA-N
HMDB30198,374.24704698,C24H30N4,CN1CCC2(C1N(C)C1=C2C=CC=C1)C12CCN(C)C1N(C)C1=C2C=CC=C1,"InChI=1S/C24H30N4/c1-25-15-13-23(17-9-5-7-11-19(17)27(3)21(23)25)24-14-16-26(2)22(24)28(4)20-12-8-6-10-18(20)24/h5-12,21-22H,13-16H2,1-4H3",UEOHDZULNTUKEK,UHFFFAOYSA,N,(-)-Folicanthine,UEOHDZULNTUKEK-UHFFFAOYSA-N
HMDB30199,500.336255916,C28H44N4O4,CCC(C)C(N(C)C)C(\O)=N\C1C(OC2=CC=C(C=C2)\C=C/N=C(O)\C(CC(C)C)\N=C1\O)C(C)C,"InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-",ULQXKOIGVXLOOC,PFONDFGASA,N,Frangulanine,ULQXKOIGVXLOOC-PFONDFGASA-N
HMDB30200,486.320605852,C27H42N4O4,CCC(C)C(NC)C(\O)=N\C1C(OC2=CC=C(C=C2)\C=C/N=C(O)\C(CC(C)C)\N=C1\O)C(C)C,"InChI=1S/C27H42N4O4/c1-8-18(6)22(28-7)26(33)31-23-24(17(4)5)35-20-11-9-19(10-12-20)13-14-29-25(32)21(15-16(2)3)30-27(23)34/h9-14,16-18,21-24,28H,8,15H2,1-7H3,(H,29,32)(H,30,34)(H,31,33)/b14-13-",ARFZEJYVBXGWDN,YPKPFQOOSA,N,Hovenine A,ARFZEJYVBXGWDN-YPKPFQOOSA-N
HMDB30201,256.157563272,C16H20N2O,CC1CN(C)C2CC3=CNC4=CC=CC(C2C1O)=C34,"InChI=1S/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3",JUXRVSRUBIFVKE,UHFFFAOYSA,N,(-)-Fumigaclavine B,JUXRVSRUBIFVKE-UHFFFAOYSA-N
HMDB30202,298.168127958,C18H22N2O2,CC1CN(C)C2CC3=CNC4=CC=CC(C2C1OC(C)=O)=C34,"InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3",GJSSYQDXZLZOLR,UHFFFAOYSA,N,Fumigaclavine A,GJSSYQDXZLZOLR-UHFFFAOYSA-N
HMDB30203,479.242021181,C27H33N3O5,COC1=CC2=C(C=C1)C1=C(C(C=C(C)C)N3C(=O)C4CCCN4C(=O)C3(O)C1O)N2CC=C(C)C,"InChI=1S/C27H33N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3",WEIYXEFMCIRZHC,UHFFFAOYSA,N,Fumitremorgin B,WEIYXEFMCIRZHC-UHFFFAOYSA-N
HMDB30204,147.068413915,C9H9NO,C(N1C=CC=C1)C1=CC=CO1,"InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2",BTBFUBUCCJKJOZ,UHFFFAOYSA,N,1-(2-Furanylmethyl)-1H-pyrrole,BTBFUBUCCJKJOZ-UHFFFAOYSA-N
HMDB30205,695.368284325,C40H49N5O6,CCC(C)C1\N=C(O)\C2C(CCN2C(=O)C(CC2=CC=CC=C2)\N=C(/O)C(CC2=CC=CC=C2)N(C)C)OC2=CC=C(OC)C(=C2)\C=C\N=C1\O,"InChI=1S/C40H49N5O6/c1-6-26(2)35-38(47)41-21-19-29-25-30(17-18-33(29)50-5)51-34-20-22-45(36(34)39(48)43-35)40(49)31(23-27-13-9-7-10-14-27)42-37(46)32(44(3)4)24-28-15-11-8-12-16-28/h7-19,21,25-26,31-32,34-36H,6,20,22-24H2,1-5H3,(H,41,47)(H,42,46)(H,43,48)/b21-19+",YDFMRHVTUVJMHS,XUTLUUPISA,N,Jubanine A,YDFMRHVTUVJMHS-XUTLUUPISA-N
HMDB30206,729.352634261,C43H47N5O6,COC1=CC=C2OC3CCN(C3\C(O)=N/C(CC3=CC=CC=C3)\C(O)=N/C=C/C1=C2)C(=O)C(CC1=CC=CC=C1)\N=C(/O)C(CC1=CC=CC=C1)N(C)C,"InChI=1S/C43H47N5O6/c1-47(2)36(27-31-17-11-6-12-18-31)41(50)46-35(26-30-15-9-5-10-16-30)43(52)48-24-22-38-39(48)42(51)45-34(25-29-13-7-4-8-14-29)40(49)44-23-21-32-28-33(54-38)19-20-37(32)53-3/h4-21,23,28,34-36,38-39H,22,24-27H2,1-3H3,(H,44,49)(H,45,51)(H,46,50)/b23-21+",FJSKSYVNULWVAZ,XTQSDGFTSA,N,Jubanine B,FJSKSYVNULWVAZ-XTQSDGFTSA-N
HMDB30207,309.136493479,C19H19NO3,COC1=C(O)C=C2NC3=C4C=CC(C)(C)OC4=C(C)C=C3C2=C1,"InChI=1S/C19H19NO3/c1-10-7-13-12-8-16(22-4)15(21)9-14(12)20-17(13)11-5-6-19(2,3)23-18(10)11/h5-9,20-21H,1-4H3",CZZZOTXCAIDYOZ,UHFFFAOYSA,N,Koenigine,CZZZOTXCAIDYOZ-UHFFFAOYSA-N
HMDB30208,323.152143543,C20H21NO3,COC1=C(OC)C=C2C(NC3=C4C=CC(C)(C)OC4=C(C)C=C23)=C1,"InChI=1S/C20H21NO3/c1-11-8-14-13-9-16(22-4)17(23-5)10-15(13)21-18(14)12-6-7-20(2,3)24-19(11)12/h6-10,21H,1-5H3",IUZVYLWUISSZCS,UHFFFAOYSA,N,Koenigicine,IUZVYLWUISSZCS-UHFFFAOYSA-N
HMDB30209,279.125928793,C18H17NO2,CC1=C2OC(C)(C)C=CC2=C2NC3=C(C=C(O)C=C3)C2=C1,"InChI=1S/C18H17NO2/c1-10-8-14-13-9-11(20)4-5-15(13)19-16(14)12-6-7-18(2,3)21-17(10)12/h4-9,19-20H,1-3H3",VISKLVOLGCYFCW,UHFFFAOYSA,N,Koenine,VISKLVOLGCYFCW-UHFFFAOYSA-N
HMDB30210,293.141578857,C19H19NO2,COC1=CC2=C(NC3=C4C=CC(C)(C)OC4=C(C)C=C23)C=C1,"InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3",OSERHKINMDLESD,UHFFFAOYSA,N,Koenimbine,OSERHKINMDLESD-UHFFFAOYSA-N
HMDB30211,343.178358293,C20H25NO4,COC1=C(O)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1,"InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3",MPYHGNAJOKCMAQ,UHFFFAOYSA,N,(R)-Laudanidine,MPYHGNAJOKCMAQ-UHFFFAOYSA-N
HMDB30212,323.152143543,C20H21NO3,COC1=CC2=C(NC3=C4C=CC(C)(C)OC4=C(C)C=C23)C(OC)=C1,"InChI=1S/C20H21NO3/c1-11-8-14-15-9-12(22-4)10-16(23-5)18(15)21-17(14)13-6-7-20(2,3)24-19(11)13/h6-10,21H,1-5H3",APZRRMFSHXMDTQ,UHFFFAOYSA,N,Mukonicine,APZRRMFSHXMDTQ-UHFFFAOYSA-N
HMDB30213,357.194008357,C21H27NO4,COC1=C(OC)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1,"InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3",KGPAYJZAMGEDIQ,UHFFFAOYSA,N,(S)-Laudanosine,KGPAYJZAMGEDIQ-UHFFFAOYSA-N
HMDB30214,241.073893223,C14H11NO3,COC(=O)C1=C(O)C=C2NC3=CC=CC=C3C2=C1,"InChI=1S/C14H11NO3/c1-18-14(17)10-6-9-8-4-2-3-5-11(8)15-12(9)7-13(10)16/h2-7,15-16H,1H3",SJVKEEPWQLIYIJ,UHFFFAOYSA,N,Mukonidine,SJVKEEPWQLIYIJ-UHFFFAOYSA-N
HMDB30215,255.089543287,C15H13NO3,COC(=O)C1=C(OC)C=C2NC3=CC=CC=C3C2=C1,"InChI=1S/C15H13NO3/c1-18-14-8-13-10(7-11(14)15(17)19-2)9-5-3-4-6-12(9)16-13/h3-8,16H,1-2H3",BYDOYRHWHKPKQP,UHFFFAOYSA,N,Clausine L,BYDOYRHWHKPKQP-UHFFFAOYSA-N
HMDB30216,211.063328537,C13H9NO2,OC1=C(C=O)C=C2C(NC3=CC=CC=C23)=C1,"InChI=1S/C13H9NO2/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13(8)16/h1-7,14,16H",NEAHWGSQUXSRNW,UHFFFAOYSA,N,Mukonal,NEAHWGSQUXSRNW-UHFFFAOYSA-N
HMDB30217,311.115758037,C18H17NO4,COC1=C(O)C2=C(CC3NCCC4=CC5=C(OCO5)C2=C34)C=C1,"InChI=1S/C18H17NO4/c1-21-12-3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17(12)20/h2-3,7,11,19-20H,4-6,8H2,1H3",JIFBCUOVFPCZEW,UHFFFAOYSA,N,Launobine,JIFBCUOVFPCZEW-UHFFFAOYSA-N
HMDB30218,227.058243159,C13H9NO3,OC1=CC2=C(NC3=CC(O)=C(C=O)C=C23)C=C1,"InChI=1S/C13H9NO3/c15-6-7-3-9-10-4-8(16)1-2-11(10)14-12(9)5-13(7)17/h1-6,14,16-17H",RCFXXMDGOAHNQH,UHFFFAOYSA,N,Lansine,RCFXXMDGOAHNQH-UHFFFAOYSA-N
HMDB30219,279.125928793,C18H17NO2,CC(C)=CCC1=C2NC3=CC=CC=C3C2=CC(C=O)=C1O,"InChI=1S/C18H17NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9-10,19,21H,8H2,1-2H3",ICYHRFZZQCYWNF,UHFFFAOYSA,N,Heptaphylline,ICYHRFZZQCYWNF-UHFFFAOYSA-N
HMDB30220,327.147058165,C19H21NO4,COC1=C(O)C=C2CC3NCCC4=CC(OC)=C(OC)C(C2=C1)=C34,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3",GVVXPMORGFYVOO,UHFFFAOYSA,N,Laurotetanine,GVVXPMORGFYVOO-UHFFFAOYSA-N
HMDB30221,331.193614427,C23H25NO,CC1=CC2=C(NC3=C2C=CC2=C3C3C4C(CCC4(C)O2)C3(C)C)C=C1,"InChI=1S/C23H25NO/c1-12-5-7-16-14(11-12)13-6-8-17-18(21(13)24-16)20-19-15(22(20,2)3)9-10-23(19,4)25-17/h5-8,11,15,19-20,24H,9-10H2,1-4H3",YNDNDGLKKJXJED,UHFFFAOYSA,N,Bicyclomahanimbicine,YNDNDGLKKJXJED-UHFFFAOYSA-N
HMDB30222,331.193614427,C23H25NO,CC1=CC2=C(NC3=CC=CC=C23)C2=C1OC1(C)CCC3C1C2C3(C)C,"InChI=1S/C23H25NO/c1-12-11-14-13-7-5-6-8-16(13)24-20(14)17-19-18-15(22(19,2)3)9-10-23(18,4)25-21(12)17/h5-8,11,15,18-19,24H,9-10H2,1-4H3",CUSONBTUCOAEMV,UHFFFAOYSA,N,Bicyclomahanimbine,CUSONBTUCOAEMV-UHFFFAOYSA-N
HMDB30223,331.193614427,C23H25NO,CC1=CC2=C3N(C4=CC=CC=C24)C(C)(C)C2CCC4(C)CC2C3=C1O4,"InChI=1S/C23H25NO/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,25-21(13)19)10-9-17(16)22(24,2)3/h5-8,11,16-17H,9-10,12H2,1-4H3",YPSWCORASQDCJM,UHFFFAOYSA,N,(±)-Currayangine,YPSWCORASQDCJM-UHFFFAOYSA-N
HMDB30224,345.172878985,C23H23NO2,CC(C)=CCCC1(C)OC2=C(C=O)C=C3C(NC4=CC=CC=C34)=C2C=C1,"InChI=1S/C23H23NO2/c1-15(2)7-6-11-23(3)12-10-18-21-19(13-16(14-25)22(18)26-23)17-8-4-5-9-20(17)24-21/h4-5,7-10,12-14,24H,6,11H2,1-3H3",VEZSSHVWEILOAM,UHFFFAOYSA,N,Murrayacinine,VEZSSHVWEILOAM-UHFFFAOYSA-N
HMDB30225,331.193614427,C23H25NO,CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C=C2)C2=C(N1)C=CC(C)=C2,"InChI=1S/C23H25NO/c1-15(2)6-5-12-23(4)13-11-18-21(25-23)10-8-17-19-14-16(3)7-9-20(19)24-22(17)18/h6-11,13-14,24H,5,12H2,1-4H3",YZBKHDJPIAYXQH,UHFFFAOYSA,N,(+)-Mahanimbicine,YZBKHDJPIAYXQH-UHFFFAOYSA-N
HMDB30226,349.204179113,C23H27NO2,CC1=C2OC(C)(CCCC(C)(C)O)C=CC2=C2NC3=CC=CC=C3C2=C1,"InChI=1S/C23H27NO2/c1-15-14-18-16-8-5-6-9-19(16)24-20(18)17-10-13-23(4,26-21(15)17)12-7-11-22(2,3)25/h5-6,8-10,13-14,24-25H,7,11-12H2,1-4H3",ZMSFODUWJLWJOE,UHFFFAOYSA,N,Mahanimbinine,ZMSFODUWJLWJOE-UHFFFAOYSA-N
HMDB30227,250.074227574,C15H10N2O2,COC1=CC2=NC=CC3=C2N(C2=CC=CC=C32)C1=O,"InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3",TXEFUSAHPIYZHD,UHFFFAOYSA,N,5-Methoxycanthin-6-one,TXEFUSAHPIYZHD-UHFFFAOYSA-N
HMDB30228,252.053492132,C14H8N2O3,OC1=C(O)C2=NC=CC3=C2N(C2=CC=CC=C32)C1=O,"InChI=1S/C14H8N2O3/c17-12-10-11-8(5-6-15-10)7-3-1-2-4-9(7)16(11)14(19)13(12)18/h1-6,17-18H",XPMYKCPEDQIDCM,UHFFFAOYSA,N,Nigakinone,XPMYKCPEDQIDCM-UHFFFAOYSA-N
HMDB30229,437.220223107,C26H31NO5,COC1=CC=C2C3CC(CC4CCCCN34)OC(=O)CCC3=CC(=C(O)C=C3)C2=C1OC,"InChI=1S/C26H31NO5/c1-30-23-10-8-19-21-15-18(14-17-5-3-4-12-27(17)21)32-24(29)11-7-16-6-9-22(28)20(13-16)25(19)26(23)31-2/h6,8-10,13,17-18,21,28H,3-5,7,11-12,14-15H2,1-2H3",RYMSMTOEKVDTDB,UHFFFAOYSA,N,Lagerstroemine,RYMSMTOEKVDTDB-UHFFFAOYSA-N
HMDB30230,458.142426296,C20H26O12,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(O)COC(O)C3O)OC(CO)C2O)=C1,"InChI=1S/C20H26O12/c1-28-12-6-9(2-4-10(12)22)3-5-14(24)31-18-15(25)13(7-21)30-20(18)32-17-11(23)8-29-19(27)16(17)26/h2-6,11,13,15-23,25-27H,7-8H2,1H3/b5-3+",ZXAPYACNVQHJGD,HWKANZROSA,N,2'-(E)-Feruloyl-3-(arabinosylxylose),ZXAPYACNVQHJGD-HWKANZROSA-N
HMDB30231,472.15807636,C21H28O12,COC1C(OC2C(O)COC(O)C2O)OC(COC(=O)\C=C\C2=CC(OC)=C(O)C=C2)C1O,"InChI=1S/C21H28O12/c1-28-13-7-10(3-5-11(13)22)4-6-15(24)30-9-14-16(25)19(29-2)21(32-14)33-18-12(23)8-31-20(27)17(18)26/h3-7,12,14,16-23,25-27H,8-9H2,1-2H3/b6-4+",YGNHGXTZNFXTBH,GQCTYLIASA,N,5'-((Z)-Feruloyl) 3-(2'-methylarabinosylxylose),YGNHGXTZNFXTBH-GQCTYLIASA-N
HMDB30232,220.18271539,C15H24O,C\C(CO)=C\CCC1(C)C2CCC(C2)C1=C,"InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-",OJYKYCDSGQGTRJ,WZUFQYTHSA,N,"(2R,6S,7S,10Z)-beta-Santala-3(15),10-dien-12-ol",OJYKYCDSGQGTRJ-WZUFQYTHSA-N
HMDB30233,872.476950878,C44H72O17,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C44H72O17/c1-19-7-12-44(56-16-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)57-40-37(53)34(50)38(60-41-36(52)33(49)32(48)28(15-45)58-41)29(59-40)18-55-39-35(51)31(47)26(46)17-54-39/h19-41,45-53H,5-18H2,1-4H3",ZUIQPSIQYROGAZ,UHFFFAOYSA,N,Sarsasapogenin 3-[4''-glucosyl-6''-arabinosylglucoside],ZUIQPSIQYROGAZ-UHFFFAOYSA-N
HMDB30234,352.13107375,C21H20O5,COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C2C=CC(C)(C)OC2=C1,"InChI=1S/C21H20O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+",CVMUWVCGBFJJFI,RMKNXTFCSA,N,Xanthohumol C,CVMUWVCGBFJJFI-RMKNXTFCSA-N
HMDB30235,578.163555668,C27H30O14,CC1OC(OC2C(O)C(O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C27H30O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22-29,31-37H,1-2H3",QXHHBGFIPDPRAX,UHFFFAOYSA,N,eq-4''-Hydroxymaysin,QXHHBGFIPDPRAX-UHFFFAOYSA-N
HMDB30236,1106.10840437,C48H34O31,OC(=O)C1=C(OC2=C(O)C3=C(C=C2O)C(=O)OCC2OC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C2OC(=O)C2=CC(O)=C(O)C(O)=C32)C(O)=C(O)C(O)=C1,"InChI=1S/C48H34O31/c49-17-1-11(2-18(50)29(17)58)43(68)77-40-39-26(74-48(79-45(70)13-5-21(53)31(60)22(54)6-13)41(40)78-44(69)12-3-19(51)30(59)20(52)4-12)10-73-46(71)14-8-25(57)38(75-37-16(42(66)67)9-24(56)33(62)36(37)65)35(64)28(14)27-15(47(72)76-39)7-23(55)32(61)34(27)63/h1-9,26,39-41,48-65H,10H2,(H,66,67)",HYXQWPAKDBAJLB,UHFFFAOYSA,N,Syzyginin A,HYXQWPAKDBAJLB-UHFFFAOYSA-N
HMDB30237,756.08100783,C33H24O21,OC1OC2COC(=O)C3=C(C4=C(OC5=C(O4)C=C(O)C(O)=C5O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O,"InChI=1S/C33H24O21/c34-10-1-7(2-11(35)19(10)39)30(45)54-29-24(44)33(48)51-16-6-49-31(46)9-4-14(38)25-28(50-15-5-13(37)21(41)23(43)26(15)52-25)18(9)17-8(32(47)53-27(16)29)3-12(36)20(40)22(17)42/h1-5,16,24,27,29,33-44,48H,6H2",MAXKGPWNOZDAPO,UHFFFAOYSA,N,Syzyginin B,MAXKGPWNOZDAPO-UHFFFAOYSA-N
HMDB30238,592.179205732,C28H32O14,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C=C(O)C(C1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)=C2O,"InChI=1S/C28H32O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20-21,23-29,31-37H,1-3H3",KLULJHGQHYLYGV,UHFFFAOYSA,N,ax-4''-Hydroxy-3-'-methoxymaysin,KLULJHGQHYLYGV-UHFFFAOYSA-N
HMDB30239,610.13225554,C30H26O14,OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C30H26O14/c31-15-5-3-14(4-6-15)28-29(25(38)23-19(35)10-16(32)11-20(23)42-28)44-30-27(40)26(39)24(37)21(43-30)12-41-22(36)8-2-13-1-7-17(33)18(34)9-13/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-2+",GZORMMCZSCNNCI,KRXBUXKQSA,N,6''-O-Caffeoylastragalin,GZORMMCZSCNNCI-KRXBUXKQSA-N
HMDB30240,367.214743799,C23H29NO3,O=C(\C=C\C=C\CCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1,"InChI=1S/C23H29NO3/c25-23(24-16-10-7-11-17-24)13-9-6-4-2-1-3-5-8-12-20-14-15-21-22(18-20)27-19-26-21/h4,6,8-9,12-15,18H,1-3,5,7,10-11,16-17,19H2/b6-4+,12-8+,13-9+",BADLEYLQAILHPV,AZMZBSBOSA,N,Piperundecalidine,BADLEYLQAILHPV-AZMZBSBOSA-N
HMDB30241,263.131014171,C18H17NO,CC1=C2OC(C)(C)C=CC2=C2NC3=CC=CC=C3C2=C1,"InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3",GAEQWKVGMHUUKO,UHFFFAOYSA,N,Girinimbine,GAEQWKVGMHUUKO-UHFFFAOYSA-N
HMDB30242,295.157228921,C19H21NO2,COC1=CC=C(CCN(C)C(=O)\C=C\C2=CC=CC=C2)C=C1,"InChI=1S/C19H21NO2/c1-20(15-14-17-8-11-18(22-2)12-9-17)19(21)13-10-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-10+",VANLAWLPWTVXIB,JLHYYAGUSA,N,(E)-Herclavine,VANLAWLPWTVXIB-JLHYYAGUSA-N
HMDB30243,448.061021628,C16H20N2O9S2,OCC1OC(S\C(CC2=CNC3=CC=CC=C23)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12+",DNDNWOWHUWNBCK,LDADJPATSA,N,Glucobrassicin,DNDNWOWHUWNBCK-LDADJPATSA-N
HMDB30244,279.089543287,C17H13NO3,COC1=CC(=NC2=CC=CC=C12)C1=CC2=C(OCO2)C=C1,"InChI=1S/C17H13NO3/c1-19-16-9-14(18-13-5-3-2-4-12(13)16)11-6-7-15-17(8-11)21-10-20-15/h2-9H,10H2,1H3",QGCORDIPOBZNKC,UHFFFAOYSA,N,Graveolinine,QGCORDIPOBZNKC-UHFFFAOYSA-N
HMDB30245,325.131408101,C19H19NO4,COC1=C(OC)C2=C3C(CC4=CC5=C(OCO5)C=C24)NCCC3=C1,"InChI=1S/C19H19NO4/c1-21-16-6-10-3-4-20-13-5-11-7-14-15(24-9-23-14)8-12(11)18(17(10)13)19(16)22-2/h6-8,13,20H,3-5,9H2,1-2H3",JWXKBCGJLCEZTJ,UHFFFAOYSA,N,Nornantenine,JWXKBCGJLCEZTJ-UHFFFAOYSA-N
HMDB30246,445.173666845,C23H27NO8,COC1=C(OC)C(C(O)=O)=C(C=C1)C(=O)CC1=C(OC)C2=C(OCO2)C=C1CCN(C)C,"InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)",DEXMFYZAHXMZNM,UHFFFAOYSA,N,Narceine,DEXMFYZAHXMZNM-UHFFFAOYSA-N
HMDB30247,431.158016781,C22H25NO8,CNCCC1=CC2=C(OCO2)C(OC)=C1CC(=O)C1=C(C(O)=O)C(OC)=C(OC)C=C1,"InChI=1S/C22H25NO8/c1-23-8-7-12-9-17-21(31-11-30-17)19(28-3)14(12)10-15(24)13-5-6-16(27-2)20(29-4)18(13)22(25)26/h5-6,9,23H,7-8,10-11H2,1-4H3,(H,25,26)",GLKPKUBRBLNOSC,UHFFFAOYSA,N,Oxynarcotine,GLKPKUBRBLNOSC-UHFFFAOYSA-N
HMDB30248,299.152143543,C18H21NO3,COC1=C2OC3C(O)CC=C4C5CC(C=C1)=C2C34CCN5C,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3",NNDKZTBFZTWKLA,UHFFFAOYSA,N,Neopine,NNDKZTBFZTWKLA-UHFFFAOYSA-N
HMDB30249,327.147058165,C19H21NO4,COC1=C(O)C2=C(CC3NCCC4=CC(OC)=C(OC)C2=C34)C=C1,"InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)19(24-3)17(15)16(10)18(13)21/h4-5,9,12,20-21H,6-8H2,1-3H3",OHDQLTAYHMLRBA,UHFFFAOYSA,N,Norisocorydine,OHDQLTAYHMLRBA-UHFFFAOYSA-N
HMDB30250,1240.645197994,C59H100O27,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-48(76)43(71)39(67)30(82-53)23-79-51-46(74)41(69)37(65)28(19-60)80-51)25-11-16-58(7)35(25)26(62)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)84-54-49(85-52-47(75)42(70)38(66)29(20-61)81-52)44(72)40(68)31(83-54)22-78-50-45(73)36(64)27(63)21-77-50/h10,25-54,60-76H,9,11-23H2,1-8H3",JCICPMFMVXNAOW,UHFFFAOYSA,N,Chikusetsusaponin VI,JCICPMFMVXNAOW-UHFFFAOYSA-N
HMDB30251,297.136493479,C18H19NO3,COC1=CC=C2C3CC4=C5C(OC1C25CCN3C)=C(O)C=C4,"InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3",ZKLXUUYLEHCAMF,UHFFFAOYSA,N,Oripavine,ZKLXUUYLEHCAMF-UHFFFAOYSA-N
HMDB30252,166.135765198,C11H18O,CC(CC=O)C1CCC(C)=CC1,"InChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,8,10-11H,4-7H2,1-2H3",VJYFMQREUJXCQV,UHFFFAOYSA,N,Limonene aldehyde,VJYFMQREUJXCQV-UHFFFAOYSA-N
HMDB30253,1372.687456738,C64H108O31,CC(C)=CCCC(C)(OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C64H108O31/c1-25(2)10-9-14-64(8,95-57-51(83)45(77)43(75)33(91-57)24-87-55-50(82)44(76)42(74)32(90-55)23-86-54-48(80)38(70)28(68)21-84-54)26-11-16-63(7)37(26)27(67)18-35-61(5)15-13-36(60(3,4)34(61)12-17-62(35,63)6)92-58-52(46(78)40(72)30(19-65)88-58)94-59-53(47(79)41(73)31(20-66)89-59)93-56-49(81)39(71)29(69)22-85-56/h10,26-59,65-83H,9,11-24H2,1-8H3",UIFSQNKEIFIEJO,UHFFFAOYSA,N,Notoginsenoside D,UIFSQNKEIFIEJO-UHFFFAOYSA-N
HMDB30254,240.099773622,C12H16O5,COC1=CC(CCC(O)=O)=CC(OC)=C1OC,"InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)",ZCYXGVJUZBKJAI,UHFFFAOYSA,N,"3-(3,4,5-Trimethoxyphenyl)propanoic acid",ZCYXGVJUZBKJAI-UHFFFAOYSA-N
HMDB30255,299.152143543,C18H21NO3,CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=C3C=C(OC)C(O)=C1,"InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-16(20)17(22-2)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1",BDIVMECULLJBMU,KSSFIOAISA,N,Erysodine,BDIVMECULLJBMU-KSSFIOAISA-N
HMDB30256,285.136493479,C17H19NO3,COC1CC23N(CC=C2C=C1)CCC1=C3C=C(O)C(O)=C1,"InChI=1S/C17H19NO3/c1-21-13-3-2-12-5-7-18-6-4-11-8-15(19)16(20)9-14(11)17(12,18)10-13/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3",GNBQGLMYBIWCOO,UHFFFAOYSA,N,Erysopine,GNBQGLMYBIWCOO-UHFFFAOYSA-N
HMDB30257,407.103872721,C19H21NO7S,COC1CC23N(CC=C2C=C1)CCC1=C3C=C(O)C(OS(=O)(=O)CC(O)=O)=C1,"InChI=1S/C19H21NO7S/c1-26-14-3-2-13-5-7-20-6-4-12-8-17(27-28(24,25)11-18(22)23)16(21)9-15(12)19(13,20)10-14/h2-3,5,8-9,14,21H,4,6-7,10-11H2,1H3,(H,22,23)",HNDYDGVKLJMGCM,UHFFFAOYSA,N,Erysothiopine,HNDYDGVKLJMGCM-UHFFFAOYSA-N
HMDB30258,297.136493479,C18H19NO3,COC1CC23N(CC=C2C=C1)CCC1=C3C=C2OCOC2=C1,"InChI=1S/C18H19NO3/c1-20-14-3-2-13-5-7-19-6-4-12-8-16-17(22-11-21-16)9-15(12)18(13,19)10-14/h2-3,5,8-9,14H,4,6-7,10-11H2,1H3",TVOFUERNMZTYRM,UHFFFAOYSA,N,(+)-Erythraline,TVOFUERNMZTYRM-UHFFFAOYSA-N
HMDB30259,313.167793607,C19H23NO3,CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=CC(OC)=C(OC)C=C31,"InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1",WXVSPYOOFCCEII,KXBFYZLASA,N,(+)-Erysotrine,WXVSPYOOFCCEII-KXBFYZLASA-N
HMDB30260,282.209598842,C19H26N2,CCC12CCCN(C1)CCC1=C(CC2)NC2=CC=CC=C12,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3",FDNDLNFGITWTOZ,UHFFFAOYSA,N,(-)-Quebrachamine,FDNDLNFGITWTOZ-UHFFFAOYSA-N
HMDB30262,331.193614427,C23H25NO,CC1=CC=C2N3C4=C(C=CC5=C4C4CC(C)(CCC4C3(C)C)O5)C2=C1,"InChI=1S/C23H25NO/c1-13-5-7-18-15(11-13)14-6-8-19-20-16-12-23(4,25-19)10-9-17(16)22(2,3)24(18)21(14)20/h5-8,11,16-17H,9-10,12H2,1-4H3",SCQKOFCBSCEEQG,UHFFFAOYSA,N,Isomurrayazoline,SCQKOFCBSCEEQG-UHFFFAOYSA-N
HMDB30263,314.199428086,C19H26N2O2,CCC12CCCN(=O)(C1)CCC1(O)C(CC2)=NC2=CC=CC=C12,"InChI=1S/C19H26N2O2/c1-2-18-9-5-12-21(23,14-18)13-11-19(22)15-6-3-4-7-16(15)20-17(19)8-10-18/h3-4,6-7,22H,2,5,8-14H2,1H3",DJKWUXVCQNIASK,UHFFFAOYSA,N,Rhazidigenine Nb-oxide,DJKWUXVCQNIASK-UHFFFAOYSA-N
HMDB30264,279.125928793,C18H17NO2,CN1CCC2=CC3=C(OCO3)C3=C2C1CC1=CC=CC=C31,"InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3",JCTYWRARKVGOBK,UHFFFAOYSA,N,(R)-Roemerine,JCTYWRARKVGOBK-UHFFFAOYSA-N
HMDB30265,353.126322723,C20H19NO5,COC1=C(O)C2=C(C=C1)C(=O)C1=C(N2C)C2=C(OC(C)(C)C=C2)C=C1O,"InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-12(22)15-16(10)21(3)17-11(18(15)23)5-6-13(25-4)19(17)24/h5-9,22,24H,1-4H3",AOYGNVHBYGMHGR,UHFFFAOYSA,N,"2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone",AOYGNVHBYGMHGR-UHFFFAOYSA-N
HMDB30266,322.107933005,C19H16NO4,COC1=CC=C2C=C3[NH+](CCC4=CC5=C(OCO5)C=C34)C=C2C1=O,"InChI=1S/C19H15NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,6-9H,4-5,10H2,1H3/p+1",GLYPKDKODVRYGP,UHFFFAOYSA,O,Berberrubine,GLYPKDKODVRYGP-UHFFFAOYSA-O
HMDB30267,161.084063979,C10H11NO,CC1CCC2=C(C=O)C=NC=C12,"InChI=1S/C10H11NO/c1-7-2-3-9-8(6-12)4-11-5-10(7)9/h4-7H,2-3H2,1H3",OPRAONAUWNNOOV,UHFFFAOYSA,N,(R)-Boschniakine,OPRAONAUWNNOOV-UHFFFAOYSA-N
HMDB30268,223.157228921,C13H21NO2,CN1CCCCC1CC1CC(C)=CC(=O)O1,"InChI=1S/C13H21NO2/c1-10-7-12(16-13(15)8-10)9-11-5-3-4-6-14(11)2/h8,11-12H,3-7,9H2,1-2H3",JFFVCKNYHMIHTF,UHFFFAOYSA,N,Dumetorine,JFFVCKNYHMIHTF-UHFFFAOYSA-N
HMDB30269,246.100442324,C13H14N2O3,CC1=CC(O)=C2C(=C1)N1CCCC[N+]1=C2C([O-])=O,"InChI=1S/C13H14N2O3/c1-8-6-9-11(10(16)7-8)12(13(17)18)15-5-3-2-4-14(9)15/h6-7H,2-5H2,1H3,(H,17,18)",FEJTUHSIRAJLOJ,UHFFFAOYSA,N,Nigellicine,FEJTUHSIRAJLOJ-UHFFFAOYSA-N
HMDB30270,343.178358293,C20H25NO4,COC1=CC=C(CC2NCCC3=C(OC)C(OC)=C(OC)C=C23)C=C1,"InChI=1S/C20H25NO4/c1-22-14-7-5-13(6-8-14)11-17-16-12-18(23-2)20(25-4)19(24-3)15(16)9-10-21-17/h5-8,12,17,21H,9-11H2,1-4H3",CMQSBRRTRZPLHE,UHFFFAOYSA,N,Anomurine,CMQSBRRTRZPLHE-UHFFFAOYSA-N
HMDB30271,476.361408034,C28H48N2O4,CC1NC2CCC1OC(=O)CCCCCCCC1CCC(OC(=O)CCCCCCC2)C(C)=N1,"InChI=1S/C28H48N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21,23-26,29H,3-20H2,1-2H3",KGQYREIAHMZYSA,UHFFFAOYSA,N,Dehydrocarpaine I,KGQYREIAHMZYSA-UHFFFAOYSA-N
HMDB30272,478.377058098,C28H50N2O4,CC1NC2CCC1OC(=O)CCCCCCCC1CCC(OC(=O)CCCCCCC2)C(C)N1,"InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3",AMSCMASJCYVAIF,UHFFFAOYSA,N,Carpaine,AMSCMASJCYVAIF-UHFFFAOYSA-N
HMDB30273,474.34575797,C28H46N2O4,CC1=NC2CCC1OC(=O)CCCCCCCC1CCC(OC(=O)CCCCCCC2)C(C)=N1,"InChI=1S/C28H46N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h23-26H,3-20H2,1-2H3",OEDAQCLCHGASNH,UHFFFAOYSA,N,Dehydrocarpaine II,OEDAQCLCHGASNH-UHFFFAOYSA-N
HMDB30274,417.189985611,C21H27N3O6,CN(CCC1=CN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C21H27N3O6/c1-23(17(26)8-7-14-5-3-2-4-6-14)10-9-15-11-24(13-22-15)21-20(29)19(28)18(27)16(12-25)30-21/h2-8,11,13,16,18-21,25,27-29H,9-10,12H2,1H3/b8-7+/t16-,18-,19+,20-,21-/m1/s1",CSFQQZOIHVWGMN,BBAXEOEJSA,N,(E)-Casimiroedine,CSFQQZOIHVWGMN-BBAXEOEJSA-N
HMDB30275,251.224914555,C16H29NO,CCC\C=C\CCCC\C=C\C(\O)=N\CC(C)C,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,17,18)/b7-6+,13-12+",JNPRQUIWDVDHIT,GYIPPJPDSA,N,Herculin,JNPRQUIWDVDHIT-GYIPPJPDSA-N
HMDB30276,99.032028409,C4H5NO2,OC1C=CC(O)=N1,"InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-3,6H,(H,5,7)",CIGXGWDUXOBPIO,UHFFFAOYSA,N,(R)-Dihydromaleimide,CIGXGWDUXOBPIO-UHFFFAOYSA-N
HMDB30277,261.084851839,C10H15NO7,OCC1OC(OC2NC(=O)C=C2)C(O)C(O)C1O,"InChI=1S/C10H15NO7/c12-3-4-7(14)8(15)9(16)10(17-4)18-6-2-1-5(13)11-6/h1-2,4,6-10,12,14-16H,3H2,(H,11,13)",CAXBOXWWAIDBMS,UHFFFAOYSA,N,Dihydromaleimide beta-D-glucoside,CAXBOXWWAIDBMS-UHFFFAOYSA-N
HMDB30278,2009.036408844,C85H144N26O28S,CSCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C,"InChI=1S/C85H144N26O28S/c1-43(2)65(106-67(121)44(3)89)77(131)100-49(25-27-61(91)115)71(125)104-55(41-112)75(129)101-52(19-8-11-32-88)79(133)109-35-14-22-58(109)81(135)108-34-13-21-57(108)76(130)105-56(42-113)74(128)98-47(18-7-10-31-87)69(123)97-48(20-12-33-95-85(93)94)70(124)102-53(39-63(117)118)80(134)110-36-15-23-59(110)82(136)111-37-16-24-60(111)84(138)139-83(137)54(40-64(119)120)103-78(132)66(45(4)114)107-73(127)50(26-28-62(92)116)99-72(126)51(29-38-140-5)96-68(122)46(90)17-6-9-30-86/h43-60,65-66,112-114H,6-42,86-90H2,1-5H3,(H2,91,115)(H2,92,116)(H,96,122)(H,97,123)(H,98,128)(H,99,126)(H,100,131)(H,101,129)(H,102,124)(H,103,132)(H,104,125)(H,105,130)(H,106,121)(H,107,127)(H,117,118)(H,119,120)(H4,93,94,95)/t44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1",HOWHQWFXSLOJEF,MGZLOUMQSA,N,Systemin,HOWHQWFXSLOJEF-MGZLOUMQSA-N
HMDB30279,486.095082174,C27H18O9,COC1=C(C(O)=C(C(=O)C2=CC=CC=C2)C(O)=C1)C1=CC(O)=C(O)C2=C1OC1=C(C=CC=C1O)C2=O,"InChI=1S/C27H18O9/c1-35-18-11-16(29)20(22(31)12-6-3-2-4-7-12)25(34)19(18)14-10-17(30)24(33)21-23(32)13-8-5-9-15(28)26(13)36-27(14)21/h2-11,28-30,33-34H,1H3",HPYVBXILLKDBSO,UHFFFAOYSA,N,Garciduol C,HPYVBXILLKDBSO-UHFFFAOYSA-N
HMDB30280,346.215746852,C22H26N4,CN1CCC2(C1NC1=C2C=CC=C1)C12CCN(C)C1NC1=C2C=CC=C1,"InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3",HOYXPMHLHJOGHD,UHFFFAOYSA,N,(-)-Chimonanthine,HOYXPMHLHJOGHD-UHFFFAOYSA-N
HMDB30281,360.231396916,C23H28N4,CN1CCC2(C1NC1=C2C=CC=C1)C12CCN(C)C1N(C)C1=C2C=CC=C1,"InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3",GSQUXSFTXJRLQJ,UHFFFAOYSA,N,Calycanthidine,GSQUXSFTXJRLQJ-UHFFFAOYSA-N
HMDB30282,294.173213336,C19H22N2O,OC(C1CC2CCN1CC2C=C)C1=CC=NC2=C1C=CC=C2,"InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2",KMPWYEUPVWOPIM,UHFFFAOYSA,N,Cinchonidine,KMPWYEUPVWOPIM-UHFFFAOYSA-N
HMDB30283,296.1888634,C19H24N2O,CCC1CN2CCC1CC2C(O)C1=CC=NC2=CC=CC=C12,"InChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3",WFJNHVWTKZUUTR,UHFFFAOYSA,N,Hydrocinchonine,WFJNHVWTKZUUTR-UHFFFAOYSA-N
HMDB30284,226.266051088,C16H34,CCCCCCCC(CCC)CCCCC,"InChI=1S/C16H34/c1-4-7-9-10-12-15-16(13-6-3)14-11-8-5-2/h16H,4-15H2,1-3H3",HMKBVDFFYNUAKM,UHFFFAOYSA,N,6-Propyltridecane,HMKBVDFFYNUAKM-UHFFFAOYSA-N
HMDB30285,127.136099549,C8H17N,CCCC1CCCCN1,"InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3",NDNUANOUGZGEPO,UHFFFAOYSA,N,(S)-2-Propylpiperidine,NDNUANOUGZGEPO-UHFFFAOYSA-N
HMDB30286,327.147058165,C19H21NO4,COC1=C(O)C=C2C3CC4=CC(O)=C(OC)C=C4CN3CCC2=C1,"InChI=1S/C19H21NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h6-9,15,21-22H,3-5,10H2,1-2H3",BWUQAWCUJMATJS,UHFFFAOYSA,N,Coreximine,BWUQAWCUJMATJS-UHFFFAOYSA-N
HMDB30287,276.099773622,C15H16O5,CC(=O)OCC(=C)C1OC2=C(C=C(C=C2)C(C)=O)C1O,"InChI=1S/C15H16O5/c1-8(7-19-10(3)17)15-14(18)12-6-11(9(2)16)4-5-13(12)20-15/h4-6,14-15,18H,1,7H2,2-3H3",JWOFLZQIQQWHRY,UHFFFAOYSA,N,10-Acetoxytoxol,JWOFLZQIQQWHRY-UHFFFAOYSA-N
HMDB30288,313.131408101,C18H19NO4,COC1=C(O)C2=C(CC3NCCC4=CC(OC)=C(O)C2=C34)C=C1,"InChI=1S/C18H19NO4/c1-22-12-4-3-9-7-11-14-10(5-6-19-11)8-13(23-2)18(21)16(14)15(9)17(12)20/h3-4,8,11,19-21H,5-7H2,1-2H3",POIRVLZGTSWEMG,UHFFFAOYSA,N,Muricinine,POIRVLZGTSWEMG-UHFFFAOYSA-N
HMDB30289,331.193614427,C23H25NO,CC(=C)C1CCC2(C)CC1C1=C(O2)C(C)=CC2=C1NC1=C2C=CC=C1,"InChI=1S/C23H25NO/c1-13(2)15-9-10-23(4)12-18(15)20-21-17(11-14(3)22(20)25-23)16-7-5-6-8-19(16)24-21/h5-8,11,15,18,24H,1,9-10,12H2,2-4H3",KXNHNLQCCJZSEK,UHFFFAOYSA,N,Currayanine,KXNHNLQCCJZSEK-UHFFFAOYSA-N
HMDB30290,224.1888634,C13H24N2O,CN1CCCC1CC(=O)CC1CCCN1C,"InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3",ZEBIACKKLGVLFZ,UHFFFAOYSA,N,Cuscohygrine,ZEBIACKKLGVLFZ-UHFFFAOYSA-N
HMDB30291,527.361073683,C32H49NO5,CC(C)C1CCC2(C)C3CCC45CCCC4C2(CC(OC(C)=O)C(=O)C2(C)COC4(C)CCC2O4)C1N5C3,"InChI=1S/C32H49NO5/c1-19(2)22-10-13-29(5)21-9-15-31-12-7-8-24(31)32(29,26(22)33(31)17-21)16-23(37-20(3)34)27(35)28(4)18-36-30(6)14-11-25(28)38-30/h19,21-26H,7-18H2,1-6H3",LFLWRPZTBUUBEQ,UHFFFAOYSA,N,Daphniphylline,LFLWRPZTBUUBEQ-UHFFFAOYSA-N
HMDB30292,872.689390676,C57H92O6,CCCC\C=C\C=C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C=C/C=C/CCCC)OC(=O)CCCCCCC\C=C/C=C/C=C/CCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-30,54H,4-12,31-53H2,1-3H3/b16-13+,17-14+,18-15+,22-19+,23-20+,24-21+,28-25-,29-26-,30-27-",SBOBXVGDOAOGKL,YRDUZZGMSA,N,Trieleostearin,SBOBXVGDOAOGKL-YRDUZZGMSA-N
HMDB30293,310.10525293,C15H18O7,OCC1OC(OC(=O)\C=C\C2=CC=CC=C2)C(O)C(O)C1O,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+",CJGRGYBLAHPYOM,VOTSOKGWSA,N,(E)-1-O-Cinnamoyl-beta-D-glucose,CJGRGYBLAHPYOM-VOTSOKGWSA-N
HMDB30294,442.147511674,C20H26O11,OCC1OC(OCC2OC(OC(=O)\C=C\C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C20H26O11/c21-8-11-14(23)17(26)19(29-11)28-9-12-15(24)16(25)18(27)20(30-12)31-13(22)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-21,23-27H,8-9H2/b7-6+",XEEBIXBFIAEQFZ,VOTSOKGWSA,N,1-O-E-Cinnamoyl-(6-arabinosylglucose),XEEBIXBFIAEQFZ-VOTSOKGWSA-N
HMDB30295,472.15807636,C21H28O12,OCC1OC(OCC2OC(OC(=O)\C=C\C3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C21H28O12/c22-8-11-14(24)16(26)18(28)20(31-11)30-9-12-15(25)17(27)19(29)21(32-12)33-13(23)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-22,24-29H,8-9H2/b7-6+",VFNCMPJNJCOCMS,VOTSOKGWSA,N,1-O-Cinnamoyl-beta-D-gentiobiose,VFNCMPJNJCOCMS-VOTSOKGWSA-N
HMDB30296,436.464416542,C30H60O,CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)C=O,"InChI=1S/C30H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-30(29-31)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3",GRJPJDFTUFOKDN,UHFFFAOYSA,N,(±)-2-Nonylheneicosanal,GRJPJDFTUFOKDN-UHFFFAOYSA-N
HMDB30297,226.266051088,C16H34,CCCCCCCCC(CCC)CCCC,"InChI=1S/C16H34/c1-4-7-9-10-11-12-15-16(13-6-3)14-8-5-2/h16H,4-15H2,1-3H3",SCMYWAVVKSTDNI,UHFFFAOYSA,N,5-Propyltridecane,SCMYWAVVKSTDNI-UHFFFAOYSA-N
HMDB30298,240.281701152,C17H36,CCCCC(C)CCCC(C)CCC(C)CC,"InChI=1S/C17H36/c1-6-8-10-16(4)11-9-12-17(5)14-13-15(3)7-2/h15-17H,6-14H2,1-5H3",UWNWTNBGIVBMAE,UHFFFAOYSA,N,"3,6,10-Trimethyltetradecane",UWNWTNBGIVBMAE-UHFFFAOYSA-N
HMDB30299,92.029585568,C3H8OS,CCCSO,"InChI=1S/C3H8OS/c1-2-3-5-4/h4H,2-3H2,1H3",LYNBNVDYPNEWHG,UHFFFAOYSA,N,Cibulins,LYNBNVDYPNEWHG-UHFFFAOYSA-N
HMDB30300,212.250401024,C15H32,CCCCCCCCCCCC(C)CC,"InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h15H,4-14H2,1-3H3",HXUYUZCPGPKNGS,UHFFFAOYSA,N,3-Methyltetradecane,HXUYUZCPGPKNGS-UHFFFAOYSA-N
HMDB30301,128.15650064,C9H20,CC(C)C(C)C(C)(C)C,"InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3",VZFMYOCAEQDWDY,UHFFFAOYSA,N,"2,2,3,4-Tetramethylpentane",VZFMYOCAEQDWDY-UHFFFAOYSA-N
HMDB30302,128.15650064,C9H20,CCC(C)C(C)C(C)C,"InChI=1S/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3",RUTNOQHQISEBGT,UHFFFAOYSA,N,"2,3,4-Trimethylhexane",RUTNOQHQISEBGT-UHFFFAOYSA-N
HMDB30303,158.094294314,C8H14O3,CCC1OC2(C)OC1CCO2,"InChI=1S/C8H14O3/c1-3-6-7-4-5-9-8(2,10-6)11-7/h6-7H,3-5H2,1-2H3",CWTQYXSFDFSPQG,UHFFFAOYSA,N,"6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane",CWTQYXSFDFSPQG-UHFFFAOYSA-N
HMDB30304,309.172878985,C20H23NO2,COC1=C(OC)C2=C(C=CC3=CC=CC=C23)C(CCN(C)C)=C1,"InChI=1S/C20H23NO2/c1-21(2)12-11-15-13-18(22-3)20(23-4)19-16-8-6-5-7-14(16)9-10-17(15)19/h5-10,13H,11-12H2,1-4H3",UZZFAUDNCIFFPM,UHFFFAOYSA,N,Atherosperminine,UZZFAUDNCIFFPM-UHFFFAOYSA-N
HMDB30305,221.141578857,C13H19NO2,CN1CC2CCC1CC21CC(C)=CC(=O)O1,"InChI=1S/C13H19NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h5,10-11H,3-4,6-8H2,1-2H3",YBQKKTNDAXVYGX,UHFFFAOYSA,N,Dioscorine,YBQKKTNDAXVYGX-UHFFFAOYSA-N
HMDB30306,184.219100896,C13H28,CCCCCCC(C)C(C)(C)CC,"InChI=1S/C13H28/c1-6-8-9-10-11-12(3)13(4,5)7-2/h12H,6-11H2,1-5H3",AVICXEDVKYYQCS,UHFFFAOYSA,N,"3,3,4-Trimethyldecane",AVICXEDVKYYQCS-UHFFFAOYSA-N
HMDB30307,184.219100896,C13H28,CCC(C)CC(C)CCCC(C)C,"InChI=1S/C13H28/c1-6-12(4)10-13(5)9-7-8-11(2)3/h11-13H,6-10H2,1-5H3",SWDJLVOSNCGQGB,UHFFFAOYSA,N,"2,6,8-Trimethyldecane",SWDJLVOSNCGQGB-UHFFFAOYSA-N
HMDB30308,306.13682783,C19H18N2O2,CC(C)=CCOC1=CC=C(C=C1)C1=CN=C(O1)C1=CN=CC=C1,"InChI=1S/C19H18N2O2/c1-14(2)9-11-22-17-7-5-15(6-8-17)18-13-21-19(23-18)16-4-3-10-20-12-16/h3-10,12-13H,11H2,1-2H3",CPMFTHYYYPZYOB,UHFFFAOYSA,N,O-Isopentenylhalfordinol,CPMFTHYYYPZYOB-UHFFFAOYSA-N
HMDB30309,184.219100896,C13H28,CCCC(C)C(C)CCCC(C)C,"InChI=1S/C13H28/c1-6-8-12(4)13(5)10-7-9-11(2)3/h11-13H,6-10H2,1-5H3",OBRONVGOGGDKLB,UHFFFAOYSA,N,"2,6,7-Trimethyldecane",OBRONVGOGGDKLB-UHFFFAOYSA-N
HMDB30310,214.11061308,C13H14N2O,COC1=CC2=C(C=C1)C1=C(N2)C(C)=NCC1,"InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3",RERZNCLIYCABFS,UHFFFAOYSA,N,Harmaline,RERZNCLIYCABFS-UHFFFAOYSA-N
HMDB30311,212.094963016,C13H12N2O,COC1=CC=C2C(NC3=C2C=CN=C3C)=C1,"InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3",BXNJHAXVSOCGBA,UHFFFAOYSA,N,Harmine,BXNJHAXVSOCGBA-UHFFFAOYSA-N
HMDB30312,281.141578857,C18H19NO2,COC1=C(O)C=C2CCN(C)C3CC4=CC=CC=C4C1=C23,"InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(20)18(21-2)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3",AKXOIHNFHOEPHN,UHFFFAOYSA,N,Floribundine,AKXOIHNFHOEPHN-UHFFFAOYSA-N
HMDB30313,184.219100896,C13H28,CCCCCCC(C)C(C)C(C)C,"InChI=1S/C13H28/c1-6-7-8-9-10-12(4)13(5)11(2)3/h11-13H,6-10H2,1-5H3",YFHGNGNLIWGTTR,UHFFFAOYSA,N,"2,3,4-Trimethyldecane",YFHGNGNLIWGTTR-UHFFFAOYSA-N
HMDB30314,184.219100896,C13H28,CC(C)CCCCCCC(C)(C)C,"InChI=1S/C13H28/c1-12(2)10-8-6-7-9-11-13(3,4)5/h12H,6-11H2,1-5H3",OFKVGIOPPPBWSB,UHFFFAOYSA,N,"2,2,9-Trimethyldecane",OFKVGIOPPPBWSB-UHFFFAOYSA-N
HMDB30315,184.219100896,C13H28,CCC(C)CCCCCC(C)(C)C,"InChI=1S/C13H28/c1-6-12(2)10-8-7-9-11-13(3,4)5/h12H,6-11H2,1-5H3",ZXPYELGEJQYCMG,UHFFFAOYSA,N,"2,2,8-Trimethyldecane",ZXPYELGEJQYCMG-UHFFFAOYSA-N
HMDB30316,184.219100896,C13H28,CCCCCCC(C)CC(C)(C)C,"InChI=1S/C13H28/c1-6-7-8-9-10-12(2)11-13(3,4)5/h12H,6-11H2,1-5H3",ZWJKFSZYIOCMGF,UHFFFAOYSA,N,"2,2,4-Trimethyldecane",ZWJKFSZYIOCMGF-UHFFFAOYSA-N
HMDB30317,531.246831787,C28H37NO9,C\C=C(/C)C(=O)OC1CN2CCCC2C1COC(=O)\C=C\C1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1,"InChI=1S/C28H37NO9/c1-4-16(2)27(34)38-22-14-29-13-5-6-21(29)20(22)15-35-23(30)12-9-18-7-10-19(11-8-18)37-28-26(33)25(32)24(31)17(3)36-28/h4,7-12,17,20-22,24-26,28,31-33H,5-6,13-15H2,1-3H3/b12-9+,16-4+",JGNHECWVLJXCSV,VCKSHETLSA,N,Petasinoside,JGNHECWVLJXCSV-VCKSHETLSA-N
HMDB30318,331.193614427,C23H25NO,CC(C)=CCCC1(C)OC2=C(C)C=C3C(NC4=CC=CC=C34)=C2C=C1,"InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3",HTNVFUBCWIYPJN,UHFFFAOYSA,N,(+)-Mahanimbine,HTNVFUBCWIYPJN-UHFFFAOYSA-N
HMDB30319,227.058243159,C13H9NO3,OC(=O)C1=CC2=C(NC3=CC=CC=C23)C(O)=C1,"InChI=1S/C13H9NO3/c15-11-6-7(13(16)17)5-9-8-3-1-2-4-10(8)14-12(9)11/h1-6,14-15H,(H,16,17)",HKOVAOLUBZZCGO,UHFFFAOYSA,N,Mukeic acid,HKOVAOLUBZZCGO-UHFFFAOYSA-N
HMDB30320,255.089543287,C15H13NO3,COC(=O)C1=CC2=C(NC3=CC=CC=C23)C(OC)=C1,"InChI=1S/C15H13NO3/c1-18-13-8-9(15(17)19-2)7-11-10-5-3-4-6-12(10)16-14(11)13/h3-8,16H,1-2H3",GIKICDROPGNERQ,UHFFFAOYSA,N,Mukonine,GIKICDROPGNERQ-UHFFFAOYSA-N
HMDB30321,705.445197241,C39H63NO10,CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3",ZLSYCIYRYZUJCZ,UHFFFAOYSA,N,beta1-Chaconine,ZLSYCIYRYZUJCZ-UHFFFAOYSA-N
HMDB30322,353.126322723,C20H19NO5,COC1=C(OC)C=C(C=C1)C(=O)C1=NC=CC2=CC(OC)=C(OC)C=C12,"InChI=1S/C20H19NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11H,1-4H3",QJTBIAMBPGGIGI,UHFFFAOYSA,N,Papaveraldine,QJTBIAMBPGGIGI-UHFFFAOYSA-N
HMDB30323,435.240958549,C27H33NO4,[H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@H](C(=O)C=C3[C@]1(O)CC2)C(C)(C)O,"InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1",ACNHBCIZLNNLRS,UBGQALKQSA,N,Paxilline,ACNHBCIZLNNLRS-UBGQALKQSA-N
HMDB30324,141.115364107,C8H15NO,CC(=O)C[C@H]1CCCCN1,"InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3/t8-/m1/s1",JEIZLWNUBXHADF,MRVPVSSYSA,N,(R)-Pelletierine,JEIZLWNUBXHADF-MRVPVSSYSA-N
HMDB30325,141.115364107,C8H15NO,CC(=O)CC1CCCCN1,"InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3",JEIZLWNUBXHADF,UHFFFAOYSA,N,(±)-Pelletierine,JEIZLWNUBXHADF-UHFFFAOYSA-N
HMDB30326,155.131014171,C9H17NO,CN1CCCCC1CC(C)=O,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3",TYHJMEIBGDDCPA,UHFFFAOYSA,N,Methylisopelletierine,TYHJMEIBGDDCPA-UHFFFAOYSA-N
HMDB30327,264.089877638,C16H12N2O2,OCC1=CC=C(O1)C1=NC=CC2=C1NC1=CC=CC=C21,"InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2",KFUCYPGCMLPUMT,UHFFFAOYSA,N,Perlolyrine,KFUCYPGCMLPUMT-UHFFFAOYSA-N
HMDB30328,381.178752223,C19H27NO7,C[C@H]1O[C@]11C[C@@H](C)[C@@](C)(O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O,"InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19-/m1/s1",CZQLULNMKQAIQL,PFDMWMSASA,N,Petasitenine,CZQLULNMKQAIQL-PFDMWMSASA-N
HMDB30329,423.189316909,C21H29NO8,C[C@H]1O[C@]11C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O,"InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21-/m1/s1",RNNVXCSFOWGBQP,MWTIQZJTSA,N,Neopetasitenine,RNNVXCSFOWGBQP-MWTIQZJTSA-N
HMDB30330,128.083729628,C7H12O2,CCC(=C)C(=O)COC,"InChI=1S/C7H12O2/c1-4-6(2)7(8)5-9-3/h2,4-5H2,1,3H3",PEPJPZZZBHWOCM,UHFFFAOYSA,N,1-Methoxy-3-methylene-2-pentanone,PEPJPZZZBHWOCM-UHFFFAOYSA-N
HMDB30331,158.13067982,C9H18O2,CCCCCC(CC)C(O)=O,"InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",DYWSVUBJGFTOQC,UHFFFAOYSA,N,xi-2-Ethylheptanoic acid,DYWSVUBJGFTOQC-UHFFFAOYSA-N
HMDB30332,98.073164942,C6H10O,CC(CC=C)C=O,"InChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,5-6H,1,4H2,2H3",RCQKLWAPRHHRNN,UHFFFAOYSA,N,2-Methyl-4-pentenal,RCQKLWAPRHHRNN-UHFFFAOYSA-N
HMDB30333,356.162373878,C21H24O5,COC1=CC(\C=C\CO)=CC2=C1OC(C2C)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C21H24O5/c1-13-16-10-14(6-5-9-22)11-19(25-4)21(16)26-20(13)15-7-8-17(23-2)18(12-15)24-3/h5-8,10-13,20,22H,9H2,1-4H3/b6-5+",JRYJEMVPVZEOPW,AATRIKPKSA,N,Fragransol C,JRYJEMVPVZEOPW-AATRIKPKSA-N
HMDB30334,724.221464476,C33H40O18,COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC(OC)=C1O,"InChI=1S/C33H40O18/c1-44-18-10-15(4-7-17(18)35)5-8-23(36)50-31-29(42)27(40)22(14-47-32-30(43)28(41)26(39)21(13-34)48-32)49-33(31)51-24(37)9-6-16-11-19(45-2)25(38)20(12-16)46-3/h4-12,21-22,26-35,38-43H,13-14H2,1-3H3/b8-5+,9-6+",QYKVHEQRAXPEEL,XVYDYJIPSA,N,2-Feruloyl-1-sinapoylgentiobiose,QYKVHEQRAXPEEL-XVYDYJIPSA-N
HMDB30335,754.232029162,C34H42O19,COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O,"InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-30(43)28(41)22(14-49-33-31(44)29(42)27(40)21(13-35)50-33)51-34(32)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5+,8-6+",MBGNTECDWBKCKH,KQQUZDAGSA,N,"1,2-Disinapoylgentiobiose",MBGNTECDWBKCKH-KQQUZDAGSA-N
HMDB30336,930.279373284,C44H50O22,COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C(OC)=C3)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC(OC)=C1O,"InChI=1S/C44H50O22/c1-56-25-14-21(6-10-24(25)46)7-11-32(47)65-42-40(55)38(53)31(63-44(42)66-34(49)13-9-23-17-28(59-4)36(51)29(18-23)60-5)20-61-43-41(39(54)37(52)30(19-45)62-43)64-33(48)12-8-22-15-26(57-2)35(50)27(16-22)58-3/h6-18,30-31,37-46,50-55H,19-20H2,1-5H3/b11-7+,12-8+,13-9+",AZUSMVXIHUPOCX,UQYOVKQCSA,N,"2-Feruloyl-1,2'-disinapoylgentiobiose",AZUSMVXIHUPOCX-UQYOVKQCSA-N
HMDB30337,608.39243339,C34H56O9,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(=O)CCC5(C)C4CCC3(C)C2C1C,"InChI=1S/C34H56O9/c1-18(17-41-31-30(39)29(38)28(37)26(16-35)42-31)8-13-34(40-5)19(2)27-25(43-34)15-24-22-7-6-20-14-21(36)9-11-32(20,3)23(22)10-12-33(24,27)4/h18-20,22-31,35,37-39H,6-17H2,1-5H3",BDENGJXHUIIQRH,UHFFFAOYSA,N,Torvoside G,BDENGJXHUIIQRH-UHFFFAOYSA-N
HMDB30338,141.115364107,C8H15NO,CN1[C@@H]2CCC1(O)CCC2,"InChI=1S/C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7/h7,10H,2-6H2,1H3/t7-,8?/m0/s1",BKWVNPXVPQOROM,JAMMHHFISA,N,Physoperuvine,BKWVNPXVPQOROM-JAMMHHFISA-N
HMDB30339,341.199093735,C21H27NO3,O=C(\C=C\CCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1,"InChI=1S/C21H27NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6-7,10-13,16H,1-5,8-9,14-15,17H2/b10-6+,11-7+",PKLGRWSJBLGIBF,JMQWPVDRSA,N,Pipernonaline,PKLGRWSJBLGIBF-JMQWPVDRSA-N
HMDB30340,343.214743799,C21H29NO3,O=C(CCCCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1,"InChI=1S/C21H29NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6,10,12-13,16H,1-5,7-9,11,14-15,17H2/b10-6+",FAXXHNWVMKTOFF,UXBLZVDNSA,N,Piperolein B,FAXXHNWVMKTOFF-UXBLZVDNSA-N
HMDB30341,317.126322723,C17H19NO5,COC1=CC(\C=C\C(=O)N2CCC=CC2=O)=CC(OC)=C1OC,"InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+",VABYUUZNAVQNPG,BQYQJAHWSA,N,Piplartine,VABYUUZNAVQNPG-BQYQJAHWSA-N
HMDB30342,274.144318511,C16H20NO3,COC1=C2CC(OC2=[N+](C)C2=C1C=CC=C2)C(C)(C)O,"InChI=1S/C16H20NO3/c1-16(2,18)13-9-11-14(19-4)10-7-5-6-8-12(10)17(3)15(11)20-13/h5-8,13,18H,9H2,1-4H3/q+1",HXSFUGOHWOKESA,UHFFFAOYSA,N,Platydesminium,HXSFUGOHWOKESA-UHFFFAOYSA-N
HMDB30343,518.28796832,C29H42O8,CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=CC(=O)OC2)C(O)C(O)C1O,"InChI=1S/C29H42O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12-13,15,18-21,23-26,31-34H,4-11,14H2,1-3H3",QREPIJRHFLRVPB,UHFFFAOYSA,N,Corchoroside B,QREPIJRHFLRVPB-UHFFFAOYSA-N
HMDB30344,311.152143543,C19H21NO3,COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(C)CCC3=C1,"InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3",WUYQEGNOQLRQAQ,UHFFFAOYSA,N,(R)-Pronuciferine,WUYQEGNOQLRQAQ-UHFFFAOYSA-N
HMDB30345,125.084063979,C7H11NO,CC(=O)C1=NCCCC1,"InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3",GNZWXNKZMHJXNU,UHFFFAOYSA,N,"6-Acetyl-1,2,3,4-tetrahydropyridine",GNZWXNKZMHJXNU-UHFFFAOYSA-N
HMDB30346,147.104799421,C10H13N,CC1CCC2=C(C)C=NC=C12,"InChI=1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3",ZHQQRIUYLMXDPP,UHFFFAOYSA,N,(S)-Actinidine,ZHQQRIUYLMXDPP-UHFFFAOYSA-N
HMDB30347,268.170139331,C18H22NO,CC1CCC2=C(C)C=[N+](CCC3=CC=C(O)C=C3)C=C12,"InChI=1S/C18H21NO/c1-13-3-8-17-14(2)11-19(12-18(13)17)10-9-15-4-6-16(20)7-5-15/h4-7,11-13H,3,8-10H2,1-2H3/p+1",CKHCFVWFFIHGMT,UHFFFAOYSA,O,N-(p-Hydroxyphenethyl)actinidine,CKHCFVWFFIHGMT-UHFFFAOYSA-O
HMDB30348,265.110278729,C17H15NO2,C1OC2=C(O1)C1=C3C(CC4=CC=CC=C14)NCCC3=C2,"InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2",VZTUKBKUWSHDFM,UHFFFAOYSA,N,Anonaine,VZTUKBKUWSHDFM-UHFFFAOYSA-N
HMDB30349,307.120843415,C19H17NO3,CC(=O)N1CCC2=CC3=C(OCO3)C3=C2C1CC1=CC=CC=C31,"InChI=1S/C19H17NO3/c1-11(21)20-7-6-13-9-16-19(23-10-22-16)18-14-5-3-2-4-12(14)8-15(20)17(13)18/h2-5,9,15H,6-8,10H2,1H3",XVIHBNVDAPQBRH,UHFFFAOYSA,N,N-Acetylanonaine,XVIHBNVDAPQBRH-UHFFFAOYSA-N
HMDB30350,263.094628665,C17H13NO2,C1OC2=C(O1)C1=C3C(CCNC3=CC3=CC=CC=C13)=C2,"InChI=1S/C17H13NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,7-8,18H,5-6,9H2",VNNKFCMTGJUPOQ,UHFFFAOYSA,N,Dehydroanonaine,VNNKFCMTGJUPOQ-UHFFFAOYSA-N
HMDB30351,250.11061308,C16H14N2O,CN1C(CC2=CC=CC=C2)=NC(=O)C2=CC=CC=C12,"InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3",XVPZRKIQCKKYNE,UHFFFAOYSA,N,Arborine,XVPZRKIQCKKYNE-UHFFFAOYSA-N
HMDB30352,141.078978601,C7H11NO2,CN1CCC=C(C1)C(O)=O,"InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)",DNJFTXKSFAMXQF,UHFFFAOYSA,N,Arecaidine,DNJFTXKSFAMXQF-UHFFFAOYSA-N
HMDB30353,155.094628665,C8H13NO2,COC(=O)C1=CCCN(C)C1,"InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3",HJJPJSXJAXAIPN,UHFFFAOYSA,N,Arecoline,HJJPJSXJAXAIPN-UHFFFAOYSA-N
HMDB30354,207.137162181,C11H17N3O,CC1C2CCC(C)(C=C)N2C(=N)NC1=O,"InChI=1S/C11H17N3O/c1-4-11(3)6-5-8-7(2)9(15)13-10(12)14(8)11/h4,7-8H,1,5-6H2,2-3H3,(H2,12,13,15)",JICZMZVYTMAXGX,UHFFFAOYSA,N,Arenaine,JICZMZVYTMAXGX-UHFFFAOYSA-N
HMDB30355,327.183443671,C20H25NO3,COC1=CC=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1,"InChI=1S/C20H25NO3/c1-21-10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22-2)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3",LZJWNVLTWYMMDJ,UHFFFAOYSA,N,(+)-O-Methylarmepavine,LZJWNVLTWYMMDJ-UHFFFAOYSA-N
HMDB30356,266.178298714,C18H22N2,C\C=C1\C2N3CCC22C(CC1CC3)NC1=CC=CC=C21,"InChI=1S/C18H22N2/c1-2-13-12-7-9-20-10-8-18(17(13)20)14-5-3-4-6-15(14)19-16(18)11-12/h2-6,12,16-17,19H,7-11H2,1H3/b13-2+",DSEPQHRHLTVWHD,XNJYKOPJSA,N,"14,19-Didehydrocondyfolan",DSEPQHRHLTVWHD-XNJYKOPJSA-N
HMDB30357,280.193948778,C19H24N2,C\C=C1\C2N3CCC22C(CC1CC3)N(C)C1=CC=CC=C21,"InChI=1S/C19H24N2/c1-3-14-13-8-10-21-11-9-19(18(14)21)15-6-4-5-7-16(15)20(2)17(19)12-13/h3-7,13,17-18H,8-12H2,1-2H3/b14-3+",VYHOVEWQRGHTOX,LZWSPWQCSA,N,N-Methylaspidospermatidine,VYHOVEWQRGHTOX-LZWSPWQCSA-N
HMDB30358,338.199428086,C21H26N2O2,COC1=CC=CC2=C1N(C1CC3CCN4CCC21C4\C3=C\C)C(C)=O,"InChI=1S/C21H26N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h4-7,14,18,20H,8-12H2,1-3H3/b15-4+",CCNTUVFHVFQEJI,SYZQJQIISA,N,Aspidospermatine,CCNTUVFHVFQEJI-SYZQJQIISA-N
HMDB30359,340.21507815,C21H28N2O2,CCC1C2N3CCC22C(CC1CC3)N(C(C)=O)C1=C2C=CC=C1OC,"InChI=1S/C21H28N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h5-7,14-15,18,20H,4,8-12H2,1-3H3",KNCZYJAUVPNGON,UHFFFAOYSA,N,"14,19-Dihydroaspidospermatine",KNCZYJAUVPNGON-UHFFFAOYSA-N
HMDB30360,282.209598842,C19H26N2,CCC12CCCN3CCC4(C(CC1)NC1=CC=CC=C41)C23,"InChI=1S/C19H26N2/c1-2-18-9-5-12-21-13-11-19(17(18)21)14-6-3-4-7-15(14)20-16(19)8-10-18/h3-4,6-7,16-17,20H,2,5,8-13H2,1H3",YAAIPCQYJYPITK,UHFFFAOYSA,N,(+)-Aspidospermidine,YAAIPCQYJYPITK-UHFFFAOYSA-N
HMDB30361,354.230728214,C22H30N2O2,[H][C@@]12CC[C@@]3(CC)CCCN4CC[C@]1(C1=C(N2C(C)=O)C(OC)=CC=C1)[C@@]34[H],"InChI=1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/t18-,20-,21-,22-/m1/s1",ARQOGCYMPUOVHK,ZHHKINOHSA,N,(-)-Aspidospermine,ARQOGCYMPUOVHK-ZHHKINOHSA-N
HMDB30362,502.256668192,C28H38O8,C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)\C=C\C(O)=O)=C/CC\C(C)=C\COC(=O)\C=C\C(O)=O,"InChI=1S/C28H38O8/c1-21(10-6-12-23(3)18-19-35-27(33)16-14-25(29)30)8-5-9-22(2)11-7-13-24(4)20-36-28(34)17-15-26(31)32/h9-10,13-18H,5-8,11-12,19-20H2,1-4H3,(H,29,30)(H,31,32)/b16-14+,17-15+,21-10+,22-9+,23-18+,24-13+",AHOSPPOAEYRVLQ,WQNLBOQCSA,N,Cavipetin B,AHOSPPOAEYRVLQ-WQNLBOQCSA-N
HMDB30363,530.28796832,C30H42O8,C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)C(\C)=C\C(O)=O)=C/CC\C(C)=C\COC(=O)C(\C)=C\C(O)=O,"InChI=1S/C30H42O8/c1-21(12-8-14-23(3)16-17-37-29(35)25(5)18-27(31)32)10-7-11-22(2)13-9-15-24(4)20-38-30(36)26(6)19-28(33)34/h11-12,15-16,18-19H,7-10,13-14,17,20H2,1-6H3,(H,31,32)(H,33,34)/b21-12+,22-11+,23-16+,24-15+,25-18+,26-19+",GUDPQPGYABLCEA,OWQAWYIFSA,N,Cavipetin A,GUDPQPGYABLCEA-OWQAWYIFSA-N
HMDB30364,1032.544636512,C58H80O16,C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)C(\C)=C\C(O)=O)=C/CC\C(C)=C\COC(=O)\C=C\C(O)=O.C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)\C=C\C(O)=O)=C/CC\C(C)=C\COC(=O)C(\C)=C\C(O)=O,"InChI=1S/2C29H40O8/c1-21(11-7-13-23(3)17-18-36-29(35)25(5)19-27(32)33)9-6-10-22(2)12-8-14-24(4)20-37-28(34)16-15-26(30)31;1-21(11-7-13-23(3)17-18-36-28(34)16-15-26(30)31)9-6-10-22(2)12-8-14-24(4)20-37-29(35)25(5)19-27(32)33/h2*10-11,14-17,19H,6-9,12-13,18,20H2,1-5H3,(H,30,31)(H,32,33)/b2*16-15+,21-11+,22-10+,23-17+,24-14+,25-19+",OBWHEVBMUGROFH,VYCOVFBUSA,N,Cavipetin E,OBWHEVBMUGROFH-VYCOVFBUSA-N
HMDB30365,418.271924326,C25H38O5,C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC(=O)C(\C)=C\C(O)=O,"InChI=1S/C25H38O5/c1-19(9-6-10-20(2)12-8-14-22(4)18-26)11-7-13-21(3)15-16-30-25(29)23(5)17-24(27)28/h10-11,14-15,17,26H,6-9,12-13,16,18H2,1-5H3,(H,27,28)/b19-11+,20-10+,21-15+,22-14+,23-17+",OYLSINCAGYDFBO,SDWHTVMGSA,N,Cavipetin D,OYLSINCAGYDFBO-SDWHTVMGSA-N
HMDB30366,388.26135964,C24H36O4,C\C(CC\C=C(/C)CC\C=C(/C)C=O)=C/CC\C(C)=C\COC(=O)C(\C)=C\O,"InChI=1S/C24H36O4/c1-19(9-6-10-20(2)12-8-14-22(4)17-25)11-7-13-21(3)15-16-28-24(27)23(5)18-26/h10-11,14-15,17-18,26H,6-9,12-13,16H2,1-5H3/b19-11+,20-10+,21-15+,22-14+,23-18+",JYQVRBSGMTVCKG,JIDRUIINSA,N,Cavipetin C,JYQVRBSGMTVCKG-JIDRUIINSA-N
HMDB30367,186.125594442,C10H18O3,CCOC(=O)CC(O)C\C=C/CC,"InChI=1S/C10H18O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h5-6,9,11H,3-4,7-8H2,1-2H3/b6-5-",UIWVSNIRNXLEKC,WAYWQWQTSA,N,"Ethyl (3R,5Z)-3-hydroxy-5-octenoate",UIWVSNIRNXLEKC-WAYWQWQTSA-N
HMDB30368,144.115029756,C8H16O2,CC\C=C/CC(O)CCO,"InChI=1S/C8H16O2/c1-2-3-4-5-8(10)6-7-9/h3-4,8-10H,2,5-7H2,1H3/b4-3-",QTHIKVMVWXLPKQ,ARJAWSKDSA,N,"(3R,5Z)-5-Octene-1,3-diol",QTHIKVMVWXLPKQ-ARJAWSKDSA-N
HMDB30369,186.125594442,C10H18O3,CC\C=C/CC(O)CCOC(C)=O,"InChI=1S/C10H18O3/c1-3-4-5-6-10(12)7-8-13-9(2)11/h4-5,10,12H,3,6-8H2,1-2H3/b5-4-",WWZCBOHSNDHUER,PLNGDYQASA,N,3-Hydroxy-5Z-octenyl acetate,WWZCBOHSNDHUER-PLNGDYQASA-N
HMDB30370,386.194067936,C19H30O8,CC(=O)C=C=C1C(C)(C)CC(O)CC1(C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3",XTODSGVDHGMKSN,UHFFFAOYSA,N,Citroside A,XTODSGVDHGMKSN-UHFFFAOYSA-N
HMDB30371,167.131014171,C10H17NO,CC1CC(=O)CC2CCCCN12,"InChI=1S/C10H17NO/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h8-9H,2-7H2,1H3",GDQCWCOVKFXWMP,UHFFFAOYSA,N,Myrtine,GDQCWCOVKFXWMP-UHFFFAOYSA-N
HMDB30372,179.094628665,C10H13NO2,O=C1CCC2=C1N1CCCC1OC2,"InChI=1S/C10H13NO2/c12-8-4-3-7-6-13-9-2-1-5-11(9)10(7)8/h9H,1-6H2",MTHASAHNRVFFOM,UHFFFAOYSA,N,Maltoxazine,MTHASAHNRVFFOM-UHFFFAOYSA-N
HMDB30373,287.079372531,C15H13NO5,COC1=C(O)C=C(O)C2=C1N(C)C1=C(C=CC=C1O)C2=O,"InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3",QEGXAAUCDUFHPJ,UHFFFAOYSA,N,Citrusinine II,QEGXAAUCDUFHPJ-UHFFFAOYSA-N
HMDB30374,301.095022595,C16H15NO5,COC1=C(OC)C2=C(C(O)=C1)C(=O)C1=C(N2C)C(O)=CC=C1,"InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3",UTEAJHNFBCLZHN,UHFFFAOYSA,N,Citrusinine I,UTEAJHNFBCLZHN-UHFFFAOYSA-N
HMDB30375,353.126322723,C20H19NO5,COC1=C(O)C=CC2=C1N(C)C1=C(C(O)=CC3=C1C=CC(C)(C)O3)C2=O,"InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-13(23)15-16(10)21(3)17-11(18(15)24)5-6-12(22)19(17)25-4/h5-9,22-23H,1-4H3",DIDVBISMWJGFOF,UHFFFAOYSA,N,Citracridone I,DIDVBISMWJGFOF-UHFFFAOYSA-N
HMDB30376,199.059305791,C7H9N3O4,NC(CN1C(O)=NC=CC1=O)C(O)=O,"InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4H,3,8H2,(H,9,14)(H,12,13)",AZSWUZQIIMMKOZ,UHFFFAOYSA,N,(S)-Isowillardiine,AZSWUZQIIMMKOZ-UHFFFAOYSA-N
HMDB30377,274.084123558,C15H14O5,COC1=C(O)C=C(\C=C/C2=CC(O)=CC(O)=C2)C=C1O,"InChI=1S/C15H14O5/c1-20-15-13(18)6-10(7-14(15)19)3-2-9-4-11(16)8-12(17)5-9/h2-8,16-19H,1H3/b3-2-",BKJYMZRGLINXRP,IHWYPQMZSA,N,"(Z)-4-Methoxy-3,3',5,5'-tetrahydroxystilbene",BKJYMZRGLINXRP-IHWYPQMZSA-N
HMDB30378,426.179086574,C23H26N2O6,COC1=C(OC)C2=C(C=C1)\C(=C\C1=C(OC)C3=C(OCO3)C=C1CCN(C)C)N=C2O,"InChI=1S/C23H26N2O6/c1-25(2)9-8-13-10-18-22(31-12-30-18)20(28-4)15(13)11-16-14-6-7-17(27-3)21(29-5)19(14)23(26)24-16/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,26)/b16-11-",FNVOXTXQQPJYRS,WJDWOHSUSA,N,(Z)-Narceine imide,FNVOXTXQQPJYRS-WJDWOHSUSA-N
HMDB30379,224.094963016,C14H12N2O,CON1C2=CC=CC=C2C2=C1C(C=C)=NC=C2,"InChI=1S/C14H12N2O/c1-3-12-14-11(8-9-15-12)10-6-4-5-7-13(10)16(14)17-2/h3-9H,1H2,2H3",CXIOSEMXFPKHOB,UHFFFAOYSA,N,N-Methoxy-1-vinyl-beta-carboline,CXIOSEMXFPKHOB-UHFFFAOYSA-N
HMDB30380,365.173941617,C21H23N3O3,CC1(C)C2CC34CCCN3C(=O)C2(CC11NC2=C(C=CC=C2)C1=O)NC4=O,"InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)",MWOFPQAPILIIPR,UHFFFAOYSA,N,Brevianamide B,MWOFPQAPILIIPR-UHFFFAOYSA-N
HMDB30381,389.185175005,C22H23N5O2,CC(C)(C=C)C12CC3N(C1NC1=C2C=CC=C1)C(=O)\C(NC3=O)=C/C1=CNC=N1,"InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+",SPWSUFUPTSJWNG,CXUHLZMHSA,N,Roquefortine,SPWSUFUPTSJWNG-CXUHLZMHSA-N
HMDB30382,321.136493479,C20H19NO3,O=C1C=C(CCCCC2=CC3=C(OCO3)C=C2)NC2=CC=CC=C12,"InChI=1S/C20H19NO3/c22-18-12-15(21-17-8-4-3-7-16(17)18)6-2-1-5-14-9-10-19-20(11-14)24-13-23-19/h3-4,7-12H,1-2,5-6,13H2,(H,21,22)",WVIITJBBQPBPEB,UHFFFAOYSA,N,"2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone",WVIITJBBQPBPEB-UHFFFAOYSA-N
HMDB30383,167.051717993,C7H9N3S,CN1CCC2=CN=CN2C1=S,"InChI=1S/C7H9N3S/c1-9-3-2-6-4-8-5-10(6)7(9)11/h4-5H,2-3H2,1H3",OXVNSOXLMCVHBU,UHFFFAOYSA,N,Zapotidine,OXVNSOXLMCVHBU-UHFFFAOYSA-N
HMDB30384,359.092435776,C19H18ClNO4,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(C)(Cl)CO)C=C2O,"InChI=1S/C19H18ClNO4/c1-19(20,9-22)15-7-11-14(25-15)8-13(23)16-17(11)21(2)12-6-4-3-5-10(12)18(16)24/h3-6,8,15,22-23H,7,9H2,1-2H3",NJSSDVNYKRNTDP,UHFFFAOYSA,N,Gravacridonechlorine,NJSSDVNYKRNTDP-UHFFFAOYSA-N
HMDB30385,361.334465003,C24H43NO,CCCCCCCCCCC\C=C/CC\C=C\C=C/C(/O)=N/CC(C)C,"InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h14-15,18-21,23H,4-13,16-17,22H2,1-3H3,(H,25,26)/b15-14-,19-18+,21-20-",WBBCNGSATYECFE,LSJCJZQESA,N,"2,4,8-Eicosatrienoic acid isobutylamide",WBBCNGSATYECFE-LSJCJZQESA-N
HMDB30386,146.08439833,C9H10N2,C1CN=C(C1)C1=CN=CC=C1,"InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2",DPNGWXJMIILTBS,UHFFFAOYSA,N,Myosmine,DPNGWXJMIILTBS-UHFFFAOYSA-N
HMDB30388,351.154268807,C15H21N5O5,C\C(CO)=C/CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+",GOSWTRUMMSCNCW,KRXBUXKQSA,N,9-(beta-D-Ribofuranosyl)zeatin,GOSWTRUMMSCNCW-KRXBUXKQSA-N
HMDB30389,352.178692644,C21H24N2O3,COC(=O)C12C3CC4(C(NC5=C4C=CC=C5)C4CC1\C(CN34)=C/C)C2O,"InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-",RLUORQGMBKDXPO,JYOAFUTRSA,N,Quebrachidine,RLUORQGMBKDXPO-JYOAFUTRSA-N
HMDB30390,352.178692644,C21H24N2O3,COC(=O)C12[C@@H]3CC4(C(NC5=CC=CC=C45)[C@@H]4CC1\C(CN34)=C/C)[C@@H]2O,"InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15-,16-,17?,18-,20?,21?/m0/s1",RLUORQGMBKDXPO,CFAUMIGUSA,N,(+)-Quebrachidine,RLUORQGMBKDXPO-CFAUMIGUSA-N
HMDB30391,321.100107973,C19H15NO4,COC1=C(OC)C2=C3C(=CC4=CC=CC=C24)N(C)C(=O)C(=O)C3=C1,"InChI=1S/C19H15NO4/c1-20-13-8-10-6-4-5-7-11(10)16-15(13)12(17(21)19(20)22)9-14(23-2)18(16)24-3/h4-9H,1-3H3",AFKGBLKLNRDQFN,UHFFFAOYSA,N,Cepharadione B,AFKGBLKLNRDQFN-UHFFFAOYSA-N
HMDB30392,530.310435096,C28H42N4O6,O\C(CCC1=CC(O)=C(O)C=C1)=N/CCCNCCCCNCCC\N=C(/O)CCC1=CC(O)=C(O)C=C1,"InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)",IOLDDENZPBFBHV,UHFFFAOYSA,N,Kukoamine A,IOLDDENZPBFBHV-UHFFFAOYSA-N
HMDB30393,163.048072403,C5H9NO5,OCC(NCC(O)=O)C(O)=O,"InChI=1S/C5H9NO5/c7-2-3(5(10)11)6-1-4(8)9/h3,6-7H,1-2H2,(H,8,9)(H,10,11)",NAALTSITEQTADZ,UHFFFAOYSA,N,L-N-Carboxymethylserine,NAALTSITEQTADZ-UHFFFAOYSA-N
HMDB30394,375.152931403,C16H25NO9,COC1CC(OC2OC(CO)C(O)C(O)C2O)\C(=C\C#N)C(O)C1OC,"InChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3-",KURSRHBVYUACKS,CLTKARDFSA,N,Simmondsin,KURSRHBVYUACKS-CLTKARDFSA-N
HMDB30395,436.334130652,C30H44O2,CC12CCC(C1C1=CCC3C4(C)C=CC(=O)C(C)(C)C4CCC3(C)C1(C)CC2)C(=C)CO,"InChI=1S/C30H44O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h8,12,14,20,22-23,25,31H,1,9-11,13,15-18H2,2-7H3",ZQIULKXWJGSFAC,UHFFFAOYSA,N,Manglupenone,ZQIULKXWJGSFAC-UHFFFAOYSA-N
HMDB30396,204.089877638,C11H12N2O2,NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)",QIVBCDIJIAJPQS,UHFFFAOYSA,N,(±)-Tryptophan,QIVBCDIJIAJPQS-UHFFFAOYSA-N
HMDB30397,180.089877638,C9H12N2O2,NC(CC1=CC=C(N)C=C1)C(O)=O,"InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)",CMUHFUGDYMFHEI,UHFFFAOYSA,N,L-2-Amino-3-(4-aminophenyl)propanoic acid,CMUHFUGDYMFHEI-UHFFFAOYSA-N
HMDB30398,338.066949307,C15H15ClN2O5,COC(=O)C\C(O)=N\C(CC1=CNC2=CC=CC(Cl)=C12)C(O)=O,"InChI=1S/C15H15ClN2O5/c1-23-13(20)6-12(19)18-11(15(21)22)5-8-7-17-10-4-2-3-9(16)14(8)10/h2-4,7,11,17H,5-6H2,1H3,(H,18,19)(H,21,22)",ITVFBZXHWIFZDX,UHFFFAOYSA,N,N-(Carbomethoxyacetyl)-4-S-chlorotryptophan,ITVFBZXHWIFZDX-UHFFFAOYSA-N
HMDB30399,352.082599371,C16H17ClN2O5,CCOC(=O)C\C(O)=N\C(CC1=CNC2=CC=CC(Cl)=C12)C(O)=O,"InChI=1S/C16H17ClN2O5/c1-2-24-14(21)7-13(20)19-12(16(22)23)6-9-8-18-11-5-3-4-10(17)15(9)11/h3-5,8,12,18H,2,6-7H2,1H3,(H,19,20)(H,22,23)",DWVLUSJVGYOTDB,UHFFFAOYSA,N,N-(Carbethoxyacetyl)-4-chloro-L-tryptophan,DWVLUSJVGYOTDB-UHFFFAOYSA-N
HMDB30400,238.050905313,C11H11ClN2O2,NC(CC1=CNC2=CC=CC(Cl)=C12)C(O)=O,"InChI=1S/C11H11ClN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)",NRTHKYABOMUPSC,UHFFFAOYSA,N,L-4-Chlorotryptophan,NRTHKYABOMUPSC-UHFFFAOYSA-N
HMDB30401,413.183837601,C23H27NO6,CC(C(NC(C)=O)C(=O)OC(\C=C\C=C/C=C/C(O)=O)C1(C)CO1)C1=CC=CC=C1,"InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4-,13-9+,14-10+",HGSOUJPIFSDBKJ,OUYMFVGOSA,N,AK toxin I,HGSOUJPIFSDBKJ-OUYMFVGOSA-N
HMDB30402,159.064391169,C5H9N3O3,OC(=O)C1CCONC(=N)N1,"InChI=1S/C5H9N3O3/c6-5-7-3(4(9)10)1-2-11-8-5/h3H,1-2H2,(H,9,10)(H3,6,7,8)",UZFZWWMIJQSJMA,UHFFFAOYSA,N,"L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid",UZFZWWMIJQSJMA-UHFFFAOYSA-N
HMDB30403,286.229665582,C20H30O,CC(C)C1=CC(OC2(CCC(C)=CC2)C(C)C)=C(C)C=C1,"InChI=1S/C20H30O/c1-14(2)18-8-7-17(6)19(13-18)21-20(15(3)4)11-9-16(5)10-12-20/h7-9,13-15H,10-12H2,1-6H3",FJIANVHLTBASMV,UHFFFAOYSA,N,(x)-p-Menth-1-en-4-yl 5-isopropyl-2-methylphenyl ether,FJIANVHLTBASMV-UHFFFAOYSA-N
HMDB30404,414.204238692,C24H30O6,COC1=CC(O)=C(C(=O)OC2CC3(C)C2C(C=O)=CC2(O)CC(C)(C)CC32)C(C)=C1,"InChI=1S/C24H30O6/c1-13-6-15(29-5)7-16(26)19(13)21(27)30-17-9-23(4)18-10-22(2,3)12-24(18,28)8-14(11-25)20(17)23/h6-8,11,17-18,20,26,28H,9-10,12H2,1-5H3",BGKXQRPQNIXIMH,UHFFFAOYSA,N,Armillaripin,BGKXQRPQNIXIMH-UHFFFAOYSA-N
HMDB30405,130.074227574,C5H10N2O2,NN1CCCC1C(O)=O,"InChI=1S/C5H10N2O2/c6-7-3-1-2-4(7)5(8)9/h4H,1-3,6H2,(H,8,9)",OUCUOMVLTQBZCY,UHFFFAOYSA,N,D-1-Amino-2-pyrrolidinecarboxylic acid,OUCUOMVLTQBZCY-UHFFFAOYSA-N
HMDB30406,163.066699355,C6H13NO2S,CSCCCC(N)C(O)=O,"InChI=1S/C6H13NO2S/c1-10-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",SFSJZXMDTNDWIX,UHFFFAOYSA,N,L-2-Amino-5-(methylthio)pentanoic acid,SFSJZXMDTNDWIX-UHFFFAOYSA-N
HMDB30407,402.24783484,C18H34N4O6,NC(CCCCNC\C(CCC(N)C(O)=O)=C\CCCC(N)C(O)=O)C(O)=O,"InChI=1S/C18H34N4O6/c19-13(16(23)24)6-2-1-5-12(8-9-15(21)18(27)28)11-22-10-4-3-7-14(20)17(25)26/h5,13-15,22H,1-4,6-11,19-21H2,(H,23,24)(H,25,26)(H,27,28)/b12-5+",ZUXGPPMNMKSOEO,LFYBBSHMSA,N,Merodesmosine,ZUXGPPMNMKSOEO-LFYBBSHMSA-N
HMDB30408,179.042987025,C5H9NO6,NC(C(O)C(O)C(O)=O)C(O)=O,"InChI=1S/C5H9NO6/c6-1(4(9)10)2(7)3(8)5(11)12/h1-3,7-8H,6H2,(H,9,10)(H,11,12)",SODSBJHVKSGOIZ,UHFFFAOYSA,N,"2-Amino-3,4-dihydroxypentanedioic acid",SODSBJHVKSGOIZ-UHFFFAOYSA-N
HMDB30409,115.063328537,C5H9NO2,NCCC(=C)C(O)=O,"InChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h1-3,6H2,(H,7,8)",FTWHFXMUJQRNBK,UHFFFAOYSA,N,4-Amino-2-methylenebutanoic acid,FTWHFXMUJQRNBK-UHFFFAOYSA-N
HMDB30410,143.094628665,C7H13NO2,CCCC(=C)C(N)C(O)=O,"InChI=1S/C7H13NO2/c1-3-4-5(2)6(8)7(9)10/h6H,2-4,8H2,1H3,(H,9,10)",ZJMPUKNPMYTOOX,UHFFFAOYSA,N,L-2-Amino-3-methylenehexanoic acid,ZJMPUKNPMYTOOX-UHFFFAOYSA-N
HMDB30411,207.056528599,C7H13NO4S,CC(CSCC(N)C(O)=O)C(O)=O,"InChI=1S/C7H13NO4S/c1-4(6(9)10)2-13-3-5(8)7(11)12/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)",QSPWUNSFUXUUDG,UHFFFAOYSA,N,"(2R,2'S)-Isobuteine",QSPWUNSFUXUUDG-UHFFFAOYSA-N
HMDB30412,160.048406754,C5H8N2O4,NC(C1CC(=O)NO1)C(O)=O,"InChI=1S/C5H8N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2,4H,1,6H2,(H,7,8)(H,9,10)",NTHMUJMQOXQYBR,UHFFFAOYSA,N,Tricholomic acid,NTHMUJMQOXQYBR-UHFFFAOYSA-N
HMDB30413,262.080100812,C9H14N2O7,NC(CCC(O)=O)C(\O)=N\C(CC(O)=O)C(O)=O,"InChI=1S/C9H14N2O7/c10-4(1-2-6(12)13)8(16)11-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)",FYYSIASRLDJUNP,UHFFFAOYSA,N,Na-L-Glutamyl-L-aspartic acid,FYYSIASRLDJUNP-UHFFFAOYSA-N
HMDB30414,788.201122964,C33H40O22,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(CO)OC2OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2",IQBMWEYFKNVACH,UHFFFAOYSA,N,Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside,IQBMWEYFKNVACH-UHFFFAOYSA-N
HMDB30415,964.248467086,C43H48O25,COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(OC4C(OC5=C(OC6=CC(O)=CC(O)=C6C5=O)C5=CC(O)=C(O)C=C5)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)=C1,"InChI=1S/C43H48O25/c1-60-22-8-15(2-5-19(22)48)3-7-27(51)61-14-26-31(54)33(56)36(59)41(65-26)67-39-34(57)29(52)25(13-45)64-43(39)68-40-35(58)30(53)24(12-44)63-42(40)66-38-32(55)28-21(50)10-17(46)11-23(28)62-37(38)16-4-6-18(47)20(49)9-16/h2-11,24-26,29-31,33-36,39-50,52-54,56-59H,12-14H2,1H3/b7-3+",AZGSHRDQKXNYSL,XVNBXDOJSA,N,Quercetin 3-(6''''-feruloylglucosyl)-(1->2)-galactosyl-(1->2)-glucoside,AZGSHRDQKXNYSL-XVNBXDOJSA-N
HMDB30416,322.13761569,C12H22N2O8,OCCC(NCCC(NCCC(O)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)",QUKMQOBHQMWLLR,UHFFFAOYSA,N,Avenic acid A,QUKMQOBHQMWLLR-UHFFFAOYSA-N
HMDB30417,217.058637089,C8H11NO6,NC(CC1(CCC(=O)O1)C(O)=O)C(O)=O,"InChI=1S/C8H11NO6/c9-4(6(11)12)3-8(7(13)14)2-1-5(10)15-8/h4H,1-3,9H2,(H,11,12)(H,13,14)",ZQVZYZVRVFBTDG,UHFFFAOYSA,N,Lycoperdic acid,ZQVZYZVRVFBTDG-UHFFFAOYSA-N
HMDB30418,316.188588628,C16H28O6,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3",FLXYFXDZJHWWGW,UHFFFAOYSA,N,D-Linalool 3-glucoside,FLXYFXDZJHWWGW-UHFFFAOYSA-N
HMDB30419,262.080100812,C9H14N2O7,N[C@@H](CCC(=O)N[C@@H](CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C9H14N2O7/c10-4(8(15)16)1-2-6(12)11-5(9(17)18)3-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t4-,5-/m0/s1",JTJZAUVWVBUZAU,WHFBIAKZSA,N,Ng-L-Glutamyl-L-aspartic acid,JTJZAUVWVBUZAU-WHFBIAKZSA-N
HMDB30420,258.125594442,C16H18O3,CO\C=C(\C(\C)=C\C=C/C1=CC=CC=C1)/C(=O)OC,"InChI=1S/C16H18O3/c1-13(15(12-18-2)16(17)19-3)8-7-11-14-9-5-4-6-10-14/h4-12H,1-3H3/b11-7-,13-8+,15-12-",JSCQSBGXKRTPHZ,VTCBNAHJSA,N,Strobilurin A,JSCQSBGXKRTPHZ-VTCBNAHJSA-N
HMDB30421,448.230847372,C21H36O10,CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C,"InChI=1S/C21H36O10/c1-5-21(4,8-6-7-11(2)3)31-20-18(27)16(25)15(24)13(30-20)10-29-19-17(26)14(23)12(22)9-28-19/h5,7,12-20,22-27H,1,6,8-10H2,2-4H3",OKNPZRJNRSGKME,UHFFFAOYSA,N,L-Linalool 3-[xylosyl-(1->6)-glucoside],OKNPZRJNRSGKME-UHFFFAOYSA-N
HMDB30422,462.246497436,C22H38O10,CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C=C)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C22H38O10/c1-6-22(5,9-7-8-11(2)3)32-21-19(28)17(26)15(24)13(31-21)10-29-20-18(27)16(25)14(23)12(4)30-20/h6,8,12-21,23-28H,1,7,9-10H2,2-5H3",SZTBSKBBYWJFEJ,UHFFFAOYSA,N,xi-Linalool 3-[rhamnosyl-(1->6)-glucoside],SZTBSKBBYWJFEJ-UHFFFAOYSA-N
HMDB30423,494.360739332,C29H50O6,CCC(C(C)C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3",HJIKODJJEORHMZ,UHFFFAOYSA,N,28-Homobrassinolide,HJIKODJJEORHMZ-UHFFFAOYSA-N
HMDB30424,182.13067982,C11H18O2,CC(C)=CCCC(C)(OC=O)C=C,"InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3",JZOCDHMHLGUPFI,UHFFFAOYSA,N,Linalyl formate,JZOCDHMHLGUPFI-UHFFFAOYSA-N
HMDB30425,210.161979948,C13H22O2,CCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3",WAQIIHCCEMGYKP,UHFFFAOYSA,N,Linalyl propionate,WAQIIHCCEMGYKP-UHFFFAOYSA-N
HMDB30426,224.177630012,C14H24O2,CC(C)C(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3",JZIARAQCPRDGAC,UHFFFAOYSA,N,Linalyl isobutyrate,JZIARAQCPRDGAC-UHFFFAOYSA-N
HMDB30427,224.177630012,C14H24O2,CCCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3",FHLGUOHLUFIAAA,UHFFFAOYSA,N,Linalyl butyrate,FHLGUOHLUFIAAA-UHFFFAOYSA-N
HMDB30428,238.193280076,C15H26O2,CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3",WCDGWAIZRYMVOW,UHFFFAOYSA,N,Linalyl isovalerate,WCDGWAIZRYMVOW-UHFFFAOYSA-N
HMDB30429,252.20893014,C16H28O2,CCCCCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3",ALKCLFLTXBBMMP,UHFFFAOYSA,N,Linalyl hexanoate,ALKCLFLTXBBMMP-UHFFFAOYSA-N
HMDB30430,280.240230268,C18H32O2,CCCCCCCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C18H32O2/c1-6-8-9-10-11-14-17(19)20-18(5,7-2)15-12-13-16(3)4/h7,13H,2,6,8-12,14-15H2,1,3-5H3",OJKMRECJBIPPRG,UHFFFAOYSA,N,Linalyl caprylate,OJKMRECJBIPPRG-UHFFFAOYSA-N
HMDB30431,258.161979948,C17H22O2,CC(C)=CCCC(C)(OC(=O)C1=CC=CC=C1)C=C,"InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3",BTJXBZZBBNNTOV,UHFFFAOYSA,N,Linalyl benzoate,BTJXBZZBBNNTOV-UHFFFAOYSA-N
HMDB30432,284.177630012,C19H24O2,CC(C)=CCCC(C)(OC(=O)\C=C\C1=CC=CC=C1)C=C,"InChI=1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3/b14-13+",DPFUEXLIKDHJNB,BUHFOSPRSA,N,Linalyl cinnamate,DPFUEXLIKDHJNB-BUHFOSPRSA-N
HMDB30433,273.172878985,C17H23NO2,CC(C)=CCCC(C)(OC(=O)C1=CC=CC=C1N)C=C,"InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3",WHIJSULEEDNKPD,UHFFFAOYSA,N,Linalyl anthranilate,WHIJSULEEDNKPD-UHFFFAOYSA-N
HMDB30434,822.424915308,C39H66O18,CC1OC(OCC2OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C2OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",OJGRBKZBRBHZGE,NBVRZTHBSA,N,Loquatifolin A,OJGRBKZBRBHZGE-NBVRZTHBSA-N
HMDB30435,397.152537473,C22H23NO6,COC1=C(OC)C=C2C(C=CC(C3=C(O)C(OC)=C(OC)C=C3)=C2N(C)C=O)=C1,"InChI=1S/C22H23NO6/c1-23(12-24)20-14(15-8-9-17(26-2)22(29-5)21(15)25)7-6-13-10-18(27-3)19(28-4)11-16(13)20/h6-12,25H,1-5H3",QNIQCCMVUPVMMU,UHFFFAOYSA,N,Simulansamide,QNIQCCMVUPVMMU-UHFFFAOYSA-N
HMDB30436,780.044622324,C34H20O22,OC1=CC2=C(C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OC1C(COC2=O)OC(=O)C2=C1OC(=O)C1=C(C(O)=C(O)C(O)=C1)C1=C(O)C(O)=C(O)C=C1C(=O)O2,"InChI=1S/C34H20O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27,35-46H,5H2",JNSDMRUXOVAXNP,UHFFFAOYSA,N,Emblicanin B,JNSDMRUXOVAXNP-UHFFFAOYSA-N
HMDB30437,782.060272388,C34H22O22,OC1=CC(=CC(O)=C1O)C(=O)OC1=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(=O)OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC12,"InChI=1S/C34H22O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27,35-46H,7H2",UEHSSTYZXFBDNL,UHFFFAOYSA,N,Emblicanin A,UEHSSTYZXFBDNL-UHFFFAOYSA-N
HMDB30438,624.49650453,C37H68O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-11-10-12-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3",XNZJLZFJXAKNCP,UHFFFAOYSA,N,Rollinecin A,XNZJLZFJXAKNCP-UHFFFAOYSA-N
HMDB30439,370.141638436,C21H22O6,COC1=CC(\C=C\CO)=CC2=C1OC(C2C)C1=CC(OC)=C2OCOC2=C1,"InChI=1S/C21H22O6/c1-12-15-7-13(5-4-6-22)8-16(23-2)20(15)27-19(12)14-9-17(24-3)21-18(10-14)25-11-26-21/h4-5,7-10,12,19,22H,6,11H2,1-3H3/b5-4+",ALMMZKOPVITQNK,SNAWJCMRSA,N,Fragransol D,ALMMZKOPVITQNK-SNAWJCMRSA-N
HMDB30440,638.475769088,C37H66O8,CCCCCCCCCCC(O)C(O)CCC(O)C1CCC(O1)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)32(40)20-21-33(41)34-23-24-36(45-34)35-22-19-30(44-35)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3",XPAKKKLOWFSUAV,UHFFFAOYSA,N,Rollidecin A,XPAKKKLOWFSUAV-UHFFFAOYSA-N
HMDB30441,804.465992262,C44H68O13,CC(CC(O)C1OC2CCC3(CCC(O3)\C=C\C(C)C3CC(C)=CC4(OC(CC(C)(O)C(O)=O)CCC4O)O3)OC2C(O)C1=C)C1OC2(CCCCO2)CCC1C,"InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+",QNDVLZJODHBUFM,MDZDMXLPSA,N,Okadaic acid,QNDVLZJODHBUFM-MDZDMXLPSA-N
HMDB30442,818.481642326,C45H70O13,CC(CC(O)C1OC2CCC3(CCC(O3)\C=C\C(C)C3CC(C)=CC4(OC(CC(C)(O)C(O)=O)CCC4O)O3)OC2C(O)C1=C)C1OC2(CCC1C)OCCCC2C,"InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+",CLBIEZBAENPDFY,ZHACJKMWSA,N,Dinophysistoxin 1,CLBIEZBAENPDFY-ZHACJKMWSA-N
HMDB30443,1056.711307908,C61H100O14,CCCCCCCCCCCCCCCC(=O)OC1CCC(CC(C)(O)C(O)=O)OC11OC(CC(C)=C1)C(C)\C=C\C1CCC2(CCC3OC(C(O)CC(C)C4OC5(CCC4C)OCCCC5C)C(=C)C(O)C3O2)O1,"InChI=1S/C61H100O14/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-24-52(63)70-51-28-27-47(39-58(8,67)57(65)66)72-61(51)38-40(2)36-50(73-61)41(3)25-26-46-30-32-59(71-46)33-31-49-56(74-59)53(64)45(7)55(69-49)48(62)37-43(5)54-42(4)29-34-60(75-54)44(6)23-22-35-68-60/h25-26,38,41-44,46-51,53-56,62,64,67H,7,9-24,27-37,39H2,1-6,8H3,(H,65,66)/b26-25+",KZFKUHIFDVFMKF,OCEACIFDSA,N,35S-Methylokadaic acid 7-hexadecanoate,KZFKUHIFDVFMKF-OCEACIFDSA-N
HMDB30444,622.480854466,C37H66O7,CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-11-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3",GXZZLWVQYXFTJE,UHFFFAOYSA,N,Squamotacin,GXZZLWVQYXFTJE-UHFFFAOYSA-N
HMDB30445,638.475769088,C37H66O8,CCC(O)C(O)CCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O8/c1-3-29(38)30(39)19-15-12-13-17-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-16-11-9-7-5-4-6-8-10-14-18-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3",FXUFAUVCSYAYLC,UHFFFAOYSA,N,Bullatetrocin,FXUFAUVCSYAYLC-UHFFFAOYSA-N
HMDB30446,328.240230268,C22H32O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C=C(C)C=C1O,"InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-21(23)14-19(5)15-22(20)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+",PZHNKNRPGLTZPO,VZRGJMDUSA,N,Grifolin,PZHNKNRPGLTZPO-VZRGJMDUSA-N
HMDB30447,788.278398641,C36H45ClN6O12,CC\C(C)=C(\NC(=O)C1C=CCN1C(=O)C1NC(=O)C(NC(=O)C(NC)C(O)C2=CC(OC1(C)CC)=C(O)C(Cl)=C2)C(C)=C)C(=O)N\C(=C\C(O)=O)C(O)=O,"InChI=1S/C36H45ClN6O12/c1-8-17(5)25(32(50)39-20(35(53)54)15-23(44)45)41-30(48)21-11-10-12-43(21)34(52)29-36(6,9-2)55-22-14-18(13-19(37)28(22)47)27(46)26(38-7)33(51)40-24(16(3)4)31(49)42-29/h10-11,13-15,21,24,26-27,29,38,46-47H,3,8-9,12H2,1-2,4-7H3,(H,39,50)(H,40,51)(H,41,48)(H,42,49)(H,44,45)(H,53,54)/b20-15+,25-17+",FAFRRYBYQKPKSY,LTHPOZSPSA,N,Phomopsin A,FAFRRYBYQKPKSY-LTHPOZSPSA-N
HMDB30448,764.507463146,C43H72O11,CCC(C1OC(C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C4CCC(O)(CC)C(C)O4)C(O)C=C3)C(C)CC2C)C(C)CC1C)C(O)=O,"InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)",VHKXXVVRRDYCIK,UHFFFAOYSA,N,Narasin,VHKXXVVRRDYCIK-UHFFFAOYSA-N
HMDB30449,748.512548524,C43H72O10,CCC(C1OC(C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C4CCC(O)(CC)C(C)O4)CC=C3)C(C)CC2C)C(C)CC1C)C(O)=O,"InChI=1S/C43H72O10/c1-12-31(35(45)28(8)34(44)29(9)36-24(4)22-25(5)37(50-36)32(13-2)39(46)47)38-26(6)23-27(7)43(51-38)18-15-17-42(53-43)21-20-40(11,52-42)33-16-19-41(48,14-3)30(10)49-33/h15,18,24-34,36-38,44,48H,12-14,16-17,19-23H2,1-11H3,(H,46,47)",DIUFDFNALWNSNW,UHFFFAOYSA,N,20-Deoxynarasin,DIUFDFNALWNSNW-UHFFFAOYSA-N
HMDB30450,336.099773622,C20H16O5,CC1(C)OC2=C(C=C1)C1=C(C(O)=C2)C(=O)C=C(O1)C1=CC=C(O)C=C1,"InChI=1S/C20H16O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3",YEUHAZULDUVZLA,UHFFFAOYSA,N,Atalantoflavone,YEUHAZULDUVZLA-UHFFFAOYSA-N
HMDB30451,423.055876671,C17H17N3O6S2,CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O,"InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)",UQLLWWBDSUHNEB,UHFFFAOYSA,N,Cefapirin,UQLLWWBDSUHNEB-UHFFFAOYSA-N
HMDB30452,422.202615982,C17H26N8O5,CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)N1C=CC(N)=NC1=O)C(N)=N,"InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10+,13-,14+/m1/s1",CXNPLSGKWMLZPZ,QOBDMFJFSA,N,Blasticidin S,CXNPLSGKWMLZPZ-QOBDMFJFSA-N
HMDB30453,622.480854466,C37H66O7,CCCCCCCCCCC(O)C(O)CCC(O)C1CCC(O1)C1CCC(CCCCCCCCCC2=CC(C)OC2=O)O1,"InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(38)32(39)22-23-33(40)34-25-26-36(44-34)35-24-21-30(43-35)19-16-13-10-8-9-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3",LGXAMXOABBUFLZ,UHFFFAOYSA,N,Annonsilin A,LGXAMXOABBUFLZ-UHFFFAOYSA-N
HMDB30454,360.230059512,C22H32O4,CC1(C)CCCC2(C)C(CC34OC3C(O)C(CO)=CC4=O)C(=C)CCC12,"InChI=1S/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,18-19,23,25H,1,5-9,11-12H2,2-4H3",OOIYDCZXWGFDDL,UHFFFAOYSA,N,Macrophorin A,OOIYDCZXWGFDDL-UHFFFAOYSA-N
HMDB30455,376.224974134,C22H32O5,CC1(C)C(O)CCC2(C)C(CC34OC3C(O)C(CO)=CC4=O)C(=C)CCC12,"InChI=1S/C22H32O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h9,14-16,18-19,23-24,26H,1,5-8,10-11H2,2-4H3",ZJIGIRXWBMNWPJ,UHFFFAOYSA,N,Macrophorin C,ZJIGIRXWBMNWPJ-UHFFFAOYSA-N
HMDB30456,374.20932407,C22H30O5,CC1(C)C2CCC(=C)C(CC34OC3C(O)C(CO)=CC4=O)C2(C)CCC1=O,"InChI=1S/C22H30O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h9,14-15,18-19,23,26H,1,5-8,10-11H2,2-4H3",ZJZYSAJQOPJREK,UHFFFAOYSA,N,Macrophorin B,ZJZYSAJQOPJREK-UHFFFAOYSA-N
HMDB30457,571.160053785,C24H31Cl2N5O7,CCC1NC(=O)C2C(Cl)C(Cl)CN2C(=O)C(CO)NC(=O)CC(NC(=O)C(CO)NC1=O)C1=CC=CC=C1,"InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)",PMBVHCCVEPYDSN,UHFFFAOYSA,N,Cyclochlorotine,PMBVHCCVEPYDSN-UHFFFAOYSA-N
HMDB30458,571.160053785,C24H31Cl2N5O7,CCC1\N=C(O)/CC(\N=C(O)\C2C(Cl)C(Cl)CN2C(=O)C(CO)\N=C(O)/C(CO)\N=C1/O)C1=CC=CC=C1,"InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)29-16(10-32)22(36)30-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-15(8-18(34)27-14)12-6-4-3-5-7-12/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,35)(H,30,36)",AIUAVRQIJPKJTG,UHFFFAOYSA,N,Islanditoxin,AIUAVRQIJPKJTG-UHFFFAOYSA-N
HMDB30459,580.31216643,C29H40N8O5,COC1=C2OC(C(C(=O)NCCCCNC(N)=N)C2=CC(\C=C/C(=O)NCCCCNC(N)=N)=C1)C1=CC=C(O)C=C1,"InChI=1S/C29H40N8O5/c1-41-22-17-18(6-11-23(39)34-12-2-4-14-36-28(30)31)16-21-24(27(40)35-13-3-5-15-37-29(32)33)25(42-26(21)22)19-7-9-20(38)10-8-19/h6-11,16-17,24-25,38H,2-5,12-15H2,1H3,(H,34,39)(H,35,40)(H4,30,31,36)(H4,32,33,37)/b11-6-",LRLXAXGCQUOKIO,WDZFZDKYSA,N,Hordatine B,LRLXAXGCQUOKIO-WDZFZDKYSA-N
HMDB30460,742.36498986,C35H50N8O10,COC1=C2OC(C(C(=O)NCCCCNC(N)=N)C2=CC(\C=C/C(=O)NCCCCNC(N)=N)=C1)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C35H50N8O10/c1-50-23-17-19(6-11-25(45)40-12-2-4-14-42-34(36)37)16-22-26(32(49)41-13-3-5-15-43-35(38)39)30(53-31(22)23)20-7-9-21(10-8-20)51-33-29(48)28(47)27(46)24(18-44)52-33/h6-11,16-17,24,26-30,33,44,46-48H,2-5,12-15,18H2,1H3,(H,40,45)(H,41,49)(H4,36,37,42)(H4,38,39,43)/b11-6-",SKTFAQNZNWTXFP,WDZFZDKYSA,N,Hordatine B glucoside,SKTFAQNZNWTXFP-WDZFZDKYSA-N
HMDB30461,566.296516366,C28H38N8O5,NC(=N)NCCCCNC(=O)\C=C/C1=CC(O)=C2OC(C(C(=O)NCCCCNC(N)=N)C2=C1)C1=CC=C(O)C=C1,"InChI=1S/C28H38N8O5/c29-27(30)35-13-3-1-11-33-22(39)10-5-17-15-20-23(26(40)34-12-2-4-14-36-28(31)32)24(41-25(20)21(38)16-17)18-6-8-19(37)9-7-18/h5-10,15-16,23-24,37-38H,1-4,11-14H2,(H,33,39)(H,34,40)(H4,29,30,35)(H4,31,32,36)/b10-5-",FCINNGNGQHGDFW,YHYXMXQVSA,N,Hordatine A,FCINNGNGQHGDFW-YHYXMXQVSA-N
HMDB30462,728.349339796,C34H48N8O10,NC(=N)NCCCCNC(=O)\C=C/C1=CC(O)=C2OC(C(C(=O)NCCCCNC(N)=N)C2=C1)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C34H48N8O10/c35-33(36)41-13-3-1-11-39-24(45)10-5-18-15-21-25(31(49)40-12-2-4-14-42-34(37)38)29(52-30(21)22(44)16-18)19-6-8-20(9-7-19)50-32-28(48)27(47)26(46)23(17-43)51-32/h5-10,15-16,23,25-29,32,43-44,46-48H,1-4,11-14,17H2,(H,39,45)(H,40,49)(H4,35,36,41)(H4,37,38,42)/b10-5-",AMKZPEMQNDGSIL,YHYXMXQVSA,N,Hordatine A glucoside,AMKZPEMQNDGSIL-YHYXMXQVSA-N
HMDB30463,536.386560152,C35H52O4,CC(C)C(=O)C12C(=O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O,"InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,37H,12,16-17,19-21H2,1-11H3",KGSZHKRKHXOAMG,UHFFFAOYSA,N,Hyperforin,KGSZHKRKHXOAMG-UHFFFAOYSA-N
HMDB30464,455.230787793,C26H33NO6,CC(C)C1N(C)C(=O)C(C(=O)\C=C\C=C\C=C\C=C/C=C/C2OC3CC(C)OC3C2O)=C1O,"InChI=1S/C26H33NO6/c1-16(2)22-24(30)21(26(31)27(22)4)18(28)13-11-9-7-5-6-8-10-12-14-19-23(29)25-20(33-19)15-17(3)32-25/h5-14,16-17,19-20,22-23,25,29-30H,15H2,1-4H3/b6-5+,9-7+,10-8-,13-11+,14-12+",UIINQEVAMDOHAP,DWGJBWOZSA,N,Erythroskyrin,UIINQEVAMDOHAP-DWGJBWOZSA-N
HMDB30465,796.414625394,C43H60N2O12,CCC(C(=O)NC\C=C/C=C(\C)C(OC)C(C)C1OC(\C=C/C=C/C=C(/C)C(=O)C2=C(O)C=CNC2=O)C(O)C1O)C1(O)OC(\C=C\C=C/C)C(C)(C)C(O)C1O,"InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16-,20-15-,21-13+,25-18-,26-19+",HMSYAPGFKGSXAJ,RJRFLOHHSA,N,Mocimycin,HMSYAPGFKGSXAJ-RJRFLOHHSA-N
HMDB30466,810.430275458,C44H62N2O12,CCC(C(=O)NC\C=C/C=C(\C)C(OC)C(C)C1OC(\C=C/C=C/C=C(/C)C(=O)C2=C(O)C=CN(C)C2=O)C(O)C1O)C1(O)OC(\C=C\C=C/C)C(C)(C)C(O)C1O,"InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17-,21-16-,22-14+,26-19-,27-20+",NTAHMPNXQOYXSX,NJWHXGCDSA,N,Goldinodox,NTAHMPNXQOYXSX-NJWHXGCDSA-N
HMDB30467,368.125988372,C21H20O6,COC1=C(CC=C(C)C)C2=C(C(O)=C1)C(=O)C=C(O2)C1=C(O)C=C(O)C=C1,"InChI=1S/C21H20O6/c1-11(2)4-6-14-18(26-3)9-16(24)20-17(25)10-19(27-21(14)20)13-7-5-12(22)8-15(13)23/h4-5,7-10,22-24H,6H2,1-3H3",RZVNDYZVNDJBPR,UHFFFAOYSA,N,Artocarpetin A,RZVNDYZVNDJBPR-UHFFFAOYSA-N
HMDB30469,242.224580204,C15H30O2,CCCCCCCCCCCCCC(=O)OC,"InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3",ZAZKJZBWRNNLDS,UHFFFAOYSA,N,Methyl tetradecanoate,ZAZKJZBWRNNLDS-UHFFFAOYSA-N
HMDB30470,478.147511674,C23H26O11,CC(=O)CCC1=CC=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=C1,"InChI=1S/C23H26O11/c1-11(24)2-3-12-4-6-14(7-5-12)33-23-21(30)20(29)19(28)17(34-23)10-32-22(31)13-8-15(25)18(27)16(26)9-13/h4-9,17,19-21,23,25-30H,2-3,10H2,1H3",BJYRNIFAMMOVGW,UHFFFAOYSA,N,Lindleyin,BJYRNIFAMMOVGW-UHFFFAOYSA-N
HMDB30471,170.094294314,C9H14O3,CC(O)CCC(O)C1=COC=C1,"InChI=1S/C9H14O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,9-11H,2-3H2,1H3",AORCXYMSPVAQIZ,UHFFFAOYSA,N,"1,4-Ipomeadiol",AORCXYMSPVAQIZ-UHFFFAOYSA-N
HMDB30472,168.07864425,C9H12O3,CC(O)CCC(=O)C1=COC=C1,"InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3",RJYQLMILDVERHH,UHFFFAOYSA,N,4-Ipomeanol,RJYQLMILDVERHH-UHFFFAOYSA-N
HMDB30473,168.07864425,C9H12O3,CC(=O)CCC(O)C1=COC=C1,"InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-6,9,11H,2-3H2,1H3",IGGLYMZTLQKWGT,UHFFFAOYSA,N,1-Ipomeanol,IGGLYMZTLQKWGT-UHFFFAOYSA-N
HMDB30474,328.058302738,C17H12O7,COC1=CC2=C(C3C=COC3O2)C2=C1C1=C(C(=O)OCC1)C(=O)O2,"InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3",XWIYFDMXXLINPU,UHFFFAOYSA,N,Aflatoxin G,XWIYFDMXXLINPU-UHFFFAOYSA-N
HMDB30475,330.073952802,C17H14O7,COC1=CC2=C(C3CCOC3O2)C2=C1C1=C(C(=O)OCC1)C(=O)O2,"InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3",WPCVRWVBBXIRMA,UHFFFAOYSA,N,Aflatoxin G2,WPCVRWVBBXIRMA-UHFFFAOYSA-N
HMDB30476,346.068867424,C17H14O8,COC1=CC2=C(C3CC(O)OC3O2)C2=C1C1=C(C(=O)OCC1)C(=O)O2,"InChI=1S/C17H14O8/c1-21-8-5-9-12(7-4-10(18)24-17(7)23-9)14-11(8)6-2-3-22-15(19)13(6)16(20)25-14/h5,7,10,17-18H,2-4H2,1H3",PHYKMMVEUJESOM,UHFFFAOYSA,N,Aflatoxin G2a,PHYKMMVEUJESOM-UHFFFAOYSA-N
HMDB30477,344.05321736,C17H12O8,COC1=CC2=C(C3=C1C1=C(C(=O)OCC1)C(=O)O3)C1(O)C=COC1O2,"InChI=1S/C17H12O8/c1-21-8-6-9-12(17(20)3-5-23-16(17)24-9)13-10(8)7-2-4-22-14(18)11(7)15(19)25-13/h3,5-6,16,20H,2,4H2,1H3",QSHBSBLCKIPCKO,UHFFFAOYSA,N,Aflatoxin GM1,QSHBSBLCKIPCKO-UHFFFAOYSA-N
HMDB30478,346.068867424,C17H14O8,COC1=CC2=C(C3=C1C1=C(C(=O)OCC1)C(=O)O3)C1(O)CCOC1O2,"InChI=1S/C17H14O8/c1-21-8-6-9-12(17(20)3-5-23-16(17)24-9)13-10(8)7-2-4-22-14(18)11(7)15(19)25-13/h6,16,20H,2-5H2,1H3",OZSVZTQMDLNGFU,UHFFFAOYSA,N,Aflatoxin GM2,OZSVZTQMDLNGFU-UHFFFAOYSA-N
HMDB30479,328.058302738,C17H12O7,[H][C@]12OC=C[C@@]1(O)C1=C(O2)C=C(OC)C2=C1OC(=O)C1=C2CCC1=O,"InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1",MJBWDEQAUQTVKK,IAGOWNOFSA,N,Aflatoxin M1,MJBWDEQAUQTVKK-IAGOWNOFSA-N
HMDB30480,330.073952802,C17H14O7,[H][C@]12OCC[C@@]1(O)C1=C3OC(=O)C4=C(CCC4=O)C3=C(OC)C=C1O2,"InChI=1S/C17H14O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h6,16,20H,2-5H2,1H3/t16-,17-/m1/s1",OQLKWHFMUPJCJY,IAGOWNOFSA,N,Aflatoxin M2,OQLKWHFMUPJCJY-IAGOWNOFSA-N
HMDB30481,147.032028409,C8H5NO2,OCC#CC#CC#CC(O)=N,"InChI=1S/C8H5NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,7H2,(H2,9,11)",OXONWCQUZYDTNF,UHFFFAOYSA,N,Agrocybin,OXONWCQUZYDTNF-UHFFFAOYSA-N
HMDB30482,302.26096571,C21H34O,CCCCCC\C=C\CCCCCCCC1=CC(O)=CC=C1,"InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,17-19,22H,2-6,9-14,16H2,1H3/b8-7+",YLKVIMNNMLKUGJ,BQYQJAHWSA,N,Cardanolmonoene,YLKVIMNNMLKUGJ-BQYQJAHWSA-N
HMDB30483,212.05857751,C12H8N2O2,NC1=CC2=NC3=CC=CC=C3OC2=CC1=O,"InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2",RDJXPXHQENRCNG,UHFFFAOYSA,N,Questiomycin A,RDJXPXHQENRCNG-UHFFFAOYSA-N
HMDB30485,426.386166222,C30H50O,CC(C\C=C(/C)C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3,"InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h9,19,21-24,27,31H,10-18H2,1-8H3/b20-9+",QRIRNIVSCYZKBQ,AWQFTUOYSA,N,"(3beta,4alpha,5alpha,23E)-4,14-Dimethylergosta-8,23-dien-3-ol",QRIRNIVSCYZKBQ-AWQFTUOYSA-N
HMDB30486,234.089208936,C13H14O4,CC(=C)C1CC2=CC(C(=O)CO)=C(O)C=C2O1,"InChI=1S/C13H14O4/c1-7(2)12-4-8-3-9(11(16)6-14)10(15)5-13(8)17-12/h3,5,12,14-15H,1,4,6H2,2H3",DSPWIGNSRMCMGP,UHFFFAOYSA,N,"(S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran",DSPWIGNSRMCMGP-UHFFFAOYSA-N
HMDB30487,352.13107375,C21H20O5,CC(=C)C1CC(=O)C2=C(C1)C(=O)C1=C(O2)C2=C(OC(C)(C)C=C2)C=C1O,"InChI=1S/C21H20O5/c1-10(2)11-7-13-18(24)17-14(22)9-16-12(5-6-21(3,4)26-16)20(17)25-19(13)15(23)8-11/h5-6,9,11,22H,1,7-8H2,2-4H3",XCESLDIMJGQRPW,UHFFFAOYSA,N,Artonol A,XCESLDIMJGQRPW-UHFFFAOYSA-N
HMDB30488,420.120902994,C24H20O7,CC(=O)C1=C2OC3=C(C(O)=CC4=C3C=CC(C)(C)O4)C(=O)C2=CC2=C1C(=O)OC2(C)C,"InChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3",LWJBUOOKYYTUDX,UHFFFAOYSA,N,Artonol B,LWJBUOOKYYTUDX-UHFFFAOYSA-N
HMDB30489,500.18350325,C30H28O7,CC(=C)C1CC2=C(OC3=C(C(O)=CC4=C3C=CC(C)(C)O4)C2=O)C2=C1C(O)=C1OC(C)(C)C=CC1=C2O,"InChI=1S/C30H28O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31-32,34H,1,11H2,2-6H3",JVLAUHJNDLMVDW,UHFFFAOYSA,N,Artonol C,JVLAUHJNDLMVDW-UHFFFAOYSA-N
HMDB30490,448.152203122,C26H24O7,COC1=CC(O)=C2C(OC3=C(CC(C(C)=C)C4=C3C(O)=C3C=CC(C)(C)OC3=C4O)C2=O)=C1,"InChI=1S/C26H24O7/c1-11(2)14-10-15-22(29)19-16(27)8-12(31-5)9-17(19)32-24(15)20-18(14)23(30)25-13(21(20)28)6-7-26(3,4)33-25/h6-9,14,27-28,30H,1,10H2,2-5H3",CNWSDOLXOOXOCZ,UHFFFAOYSA,N,Artonol E,CNWSDOLXOOXOCZ-UHFFFAOYSA-N
HMDB30491,872.689390676,C57H92O6,CCCC\C=C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C=C/C=C\CCCC)OC(=O)CCCCCCC\C=C/C=C/C=C\CCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-25,27-30,32,54H,4-12,26,31,33-53H2,1-3H3/b16-13-,17-14+,18-15-,22-19+,23-20-,24-21+,28-25-,30-27-,32-29-",ZXZCCRJAFYCTTD,HZCOQAAFSA,N,"Glycerol 1,2-di-(9Z,11E,13Z-octadecatrienoate) 3-(8Z,11Z,13E-octadecatrienoate)",ZXZCCRJAFYCTTD-HZCOQAAFSA-N
HMDB30492,693.460453375,C42H63NO7,CC1CC23CCC4(O2)OC(CCC4(C)O)CC(=C)CCCC2=NCC(C)CCC22CCC(C4CC(C)C(=O)O4)=C(C)C2\C=C(C)\C(O)CC1O3,"InChI=1S/C42H63NO7/c1-25-9-8-10-37-40(15-11-26(2)24-43-37)16-13-32(36-21-28(4)38(45)47-36)30(6)33(40)20-27(3)34(44)22-35-29(5)23-41(49-35)17-18-42(50-41)39(7,46)14-12-31(19-25)48-42/h20,26,28-29,31,33-36,44,46H,1,8-19,21-24H2,2-7H3/b27-20+",OAUJUGKOYSWZJH,NHFJDJAPSA,N,Spirolide B,OAUJUGKOYSWZJH-NHFJDJAPSA-N
HMDB30493,707.476103439,C43H65NO7,CC1CC23CCC4(O2)OC(CCC4(C)O)CC(=C)CCCC2=NCC(C)C(C)CC22CCC(C4CC(C)C(=O)O4)=C(C)C2\C=C(C)\C(O)CC1O3,"InChI=1S/C43H65NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19,27-30,32,34-37,45,47H,1,9-18,20-24H2,2-8H3/b26-19+",DCBUZOVCNASVLD,LGUFXXKBSA,N,Spirolide D,DCBUZOVCNASVLD-LGUFXXKBSA-N
HMDB30494,725.486668125,C43H67NO8,CCC(O)C(\C)=C\C1C(C)=C(CCC1(CCC(C)CN)C(=O)CCCC(=C)CC1CCC(C)(O)C2(CCC3(CC(C)CO3)O2)O1)C1OC(=O)C(C)=C1,"InChI=1S/C43H67NO8/c1-9-36(45)30(5)22-35-32(7)34(37-23-31(6)39(47)50-37)15-18-41(35,17-13-28(3)25-44)38(46)12-10-11-27(2)21-33-14-16-40(8,48)43(51-33)20-19-42(52-43)24-29(4)26-49-42/h22-23,28-29,33,35-37,45,48H,2,9-21,24-26,44H2,1,3-8H3/b30-22+",RDTLSGRUBWUGCJ,JBASAIQMSA,N,Spirolide E,RDTLSGRUBWUGCJ-JBASAIQMSA-N
HMDB30495,498.167853186,C30H26O7,CC(=C)C1CC2=C(OC3=C(C(O)=CC4=C3C=CC(C)(C)O4)C2=O)C2=C1C(=O)C1=C(C=CC(C)(C)O1)C2=O,"InChI=1S/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3",BPBNMDXSLVPNFT,UHFFFAOYSA,N,Artonol D,BPBNMDXSLVPNFT-UHFFFAOYSA-N
HMDB30496,308.162373878,C17H24O5,C\C=C(/C)C(O)C(C)\C=C/C(O)C(C)C1=CC(O)=CC(=O)O1,"InChI=1S/C17H24O5/c1-5-10(2)17(21)11(3)6-7-14(19)12(4)15-8-13(18)9-16(20)22-15/h5-9,11-12,14,17-19,21H,1-4H3/b7-6-,10-5+",FDSYJSBLPXPUKP,JQEGGOPCSA,N,ACRL Toxin II,FDSYJSBLPXPUKP-JQEGGOPCSA-N
HMDB30497,1720.16280352,C75H52O48,OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C4OC5=C(O)C(O)=C(O)C=C5C(=O)OC5C(OC(=O)C6=CC(O)=C(O)C(O)=C6)OC6COC(=O)C7=C(C(O)=C(O)C(OC8=C(C=C(O)C(O)=C8O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C2OC(=O)C3=C4)=C7)C1=C(C=C(O)C(O)=C1O)C(=O)OC6C5OC(=O)C1=CC=C(O)C(O)=C1O,"InChI=1S/C75H52O48/c76-24-2-1-17(41(85)44(24)88)69(105)120-62-60-36-14-112-68(104)20-11-33(49(93)53(97)39(20)38-19(70(106)118-60)8-30(82)46(90)52(38)96)113-57-22(9-31(83)47(91)55(57)99)72(108)121-63-61(119-65(101)15-3-25(77)42(86)26(78)4-15)59-35(115-74(63)110)13-111-67(103)18-7-29(81)45(89)51(95)37(18)40-21(71(107)117-59)12-34(50(94)54(40)98)114-58-23(10-32(84)48(92)56(58)100)73(109)122-64(62)75(116-36)123-66(102)16-5-27(79)43(87)28(80)6-16/h1-12,35-36,59-64,74-100,110H,13-14H2",RZGKUVZIVMMAMQ,UHFFFAOYSA,N,Eugeniflorin D1,RZGKUVZIVMMAMQ-UHFFFAOYSA-N
HMDB30498,1188.592768494,C58H92O25,C\C=C(\C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO,"InChI=1S/C58H92O25/c1-10-24(2)48(74)78-34-19-53(3,4)17-26-25-11-12-31-55(7)15-14-33(54(5,6)30(55)13-16-56(31,8)57(25,9)18-32(63)58(26,34)23-61)79-52-45(82-50-41(70)39(68)37(66)29(21-60)77-50)42(71)43(46(83-52)47(72)73)80-51-44(35(64)27(62)22-75-51)81-49-40(69)38(67)36(65)28(20-59)76-49/h10-11,26-46,49-52,59-71H,12-23H2,1-9H3,(H,72,73)/b24-10-",HEZVPSGPLFBHPM,VROXFSQNSA,N,Camelliasaponin A1,HEZVPSGPLFBHPM-VROXFSQNSA-N
HMDB30499,1188.592768494,C58H92O25,C\C=C(/C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO,"InChI=1S/C58H92O25/c1-10-24(2)48(74)78-34-19-53(3,4)17-26-25-11-12-31-55(7)15-14-33(54(5,6)30(55)13-16-56(31,8)57(25,9)18-32(63)58(26,34)23-61)79-52-45(82-50-41(70)39(68)37(66)29(21-60)77-50)42(71)43(46(83-52)47(72)73)80-51-44(35(64)27(62)22-75-51)81-49-40(69)38(67)36(65)28(20-59)76-49/h10-11,26-46,49-52,59-71H,12-23H2,1-9H3,(H,72,73)/b24-10+",HEZVPSGPLFBHPM,YSURURNPSA,N,Camelliasaponin A2,HEZVPSGPLFBHPM-YSURURNPSA-N
HMDB30500,365.104541423,C16H19N3O5S,CC1(C)SC2C(NC(=O)C(N)C3=CC=C(O)C=C3)C(=O)N2C1C(O)=O,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)",LSQZJLSUYDQPKJ,UHFFFAOYSA,N,Amoxycillin,LSQZJLSUYDQPKJ-UHFFFAOYSA-N
HMDB30501,727.502318189,C43H69NO8,CCC(O)C(\C)=C\C1C(C)=C(CCC1(CCC(C)CN)C(=O)CCCC(=C)CC1CCC(C)(O)C2(CCC3(CC(C)CO3)O2)O1)C1CC(C)C(=O)O1,"InChI=1S/C43H69NO8/c1-9-36(45)30(5)22-35-32(7)34(37-23-31(6)39(47)50-37)15-18-41(35,17-13-28(3)25-44)38(46)12-10-11-27(2)21-33-14-16-40(8,48)43(51-33)20-19-42(52-43)24-29(4)26-49-42/h22,28-29,31,33,35-37,45,48H,2,9-21,23-26,44H2,1,3-8H3/b30-22+",DNNVOGNTTHKDBO,JBASAIQMSA,N,Spirolide F,DNNVOGNTTHKDBO-JBASAIQMSA-N
HMDB30502,390.167853186,C21H26O7,COC1=CC(=CC(O)=C1O)C1CC(O)CC(CCC2=CC(OC)=C(O)C=C2)O1,"InChI=1S/C21H26O7/c1-26-19-7-12(4-6-16(19)23)3-5-15-10-14(22)11-18(28-15)13-8-17(24)21(25)20(9-13)27-2/h4,6-9,14-15,18,22-25H,3,5,10-11H2,1-2H3",YYPVGAJJYQQFMX,UHFFFAOYSA,N,"(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol",YYPVGAJJYQQFMX-UHFFFAOYSA-N
HMDB30503,432.178417872,C23H28O8,COC1=CC(CCC2CC(CC(O2)C2=CC(OC)=C(O)C(O)=C2)OC(C)=O)=CC=C1O,"InChI=1S/C23H28O8/c1-13(24)30-17-11-16(6-4-14-5-7-18(25)21(8-14)28-2)31-20(12-17)15-9-19(26)23(27)22(10-15)29-3/h5,7-10,16-17,20,25-27H,4,6,11-12H2,1-3H3",PCHXAHPLKORHMW,UHFFFAOYSA,N,"(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetate",PCHXAHPLKORHMW-UHFFFAOYSA-N
HMDB30504,404.18350325,C22H28O7,COC1=CC(=CC(OC)=C1O)C1CC(O)CC(CCC2=CC(OC)=C(O)C=C2)O1,"InChI=1S/C22H28O7/c1-26-19-8-13(5-7-17(19)24)4-6-16-11-15(23)12-18(29-16)14-9-20(27-2)22(25)21(10-14)28-3/h5,7-10,15-16,18,23-25H,4,6,11-12H2,1-3H3",FSJJNEYYEKNFEZ,UHFFFAOYSA,N,"(2S,4R,6S)-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]tetrahydro-6-(4-hydroxy-3,5-dimethoxyphenyl)-2H-pyran-4-ol",FSJJNEYYEKNFEZ-UHFFFAOYSA-N
HMDB30505,522.236601452,C29H34N2O7,COC1=C(OC2=C3C(C(O)C4=CC(O)=C(O)C=C4)N(C)CCC3=CC(OC)=C2O)C=C2CN(C)CCC2=C1,"InChI=1S/C29H34N2O7/c1-30-9-7-16-12-22(36-3)23(14-19(16)15-30)38-29-25-17(13-24(37-4)28(29)35)8-10-31(2)26(25)27(34)18-5-6-20(32)21(33)11-18/h5-6,11-14,26-27,32-35H,7-10,15H2,1-4H3",AYINLWLMPMZNKE,UHFFFAOYSA,N,Bargustanine,AYINLWLMPMZNKE-UHFFFAOYSA-N
HMDB30506,426.386166222,C30H50O,CC(C)C(C)CCC(C)C1CCC2(C)C3CCC4C(C)C(=O)CCC44CC34CCC12C,"InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19-24,26H,8-18H2,1-7H3",MFDHFDRGFNWNAG,UHFFFAOYSA,N,Cycloeucalanone,MFDHFDRGFNWNAG-UHFFFAOYSA-N
HMDB30507,424.370516158,C30H48O,CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)C(=O)CCC44CC34CCC12C,"InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-24,26H,3,8-18H2,1-2,4-7H3",NFRXSIOHGADFRG,UHFFFAOYSA,N,Cycloeucalenone,NFRXSIOHGADFRG-UHFFFAOYSA-N
HMDB30508,678.631481868,C47H82O2,CCCCCCCCCCCCCCCC(=O)OC1CCC23CC22CCC4(C)C(CCC4(C)C2CCC3C1(C)C)C(C)CCC(C)C(C)=C,"InChI=1S/C47H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42(48)49-41-29-31-46-34-47(46)33-32-44(8)38(37(5)25-24-36(4)35(2)3)28-30-45(44,9)40(47)27-26-39(46)43(41,6)7/h36-41H,2,10-34H2,1,3-9H3",JRXHHEVIGCDJBO,UHFFFAOYSA,N,Cyclolaudenyl palmitate,JRXHHEVIGCDJBO-UHFFFAOYSA-N
HMDB30509,1122.582203808,C54H90O24,CC(=C)C(=O)CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C54H90O24/c1-22(2)24(58)10-16-54(8,78-48-44(70)40(66)37(63)29(75-48)21-71-46-42(68)38(64)34(60)26(18-55)72-46)23-9-14-53(7)33(23)25(59)17-31-51(5)13-12-32(50(3,4)30(51)11-15-52(31,53)6)76-49-45(41(67)36(62)28(20-57)74-49)77-47-43(69)39(65)35(61)27(19-56)73-47/h23,25-49,55-57,59-70H,1,9-21H2,2-8H3",TXQLFMCRDJSJDN,UHFFFAOYSA,N,Notoginsenoside B,TXQLFMCRDJSJDN-UHFFFAOYSA-N
HMDB30510,1140.592768494,C54H92O25,CC(=C)C(CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C)OO,"InChI=1S/C54H92O25/c1-22(2)25(79-70)10-16-54(8,78-48-44(69)40(65)37(62)29(75-48)21-71-46-42(67)38(63)34(59)26(18-55)72-46)23-9-14-53(7)33(23)24(58)17-31-51(5)13-12-32(50(3,4)30(51)11-15-52(31,53)6)76-49-45(41(66)36(61)28(20-57)74-49)77-47-43(68)39(64)35(60)27(19-56)73-47/h23-49,55-70H,1,9-21H2,2-8H3",GDMBPUARLSVEAE,UHFFFAOYSA,N,Notoginsenoside C,GDMBPUARLSVEAE-UHFFFAOYSA-N
HMDB30511,962.545030442,C48H82O19,CC(=C)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C48H82O19/c1-21(2)23(52)10-16-48(8,67-42-39(61)36(58)33(55)26(19-50)63-42)22-9-14-47(7)31(22)24(53)17-29-45(5)13-12-30(44(3,4)28(45)11-15-46(29,47)6)65-43-40(37(59)34(56)27(20-51)64-43)66-41-38(60)35(57)32(54)25(18-49)62-41/h22-43,49-61H,1,9-20H2,2-8H3",FAJNTKKJVSRNEJ,UHFFFAOYSA,N,Majoroside F1,FAJNTKKJVSRNEJ-UHFFFAOYSA-N
HMDB30512,470.375995466,C31H50O3,COC12C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CCC1(CO)CCC(C)C(C)C21,"InChI=1S/C31H50O3/c1-20-9-15-30(19-32)18-17-29(7)28(6)14-10-22-26(3,4)24(33)12-13-27(22,5)23(28)11-16-31(29,34-8)25(30)21(20)2/h11,16,20-23,25,32H,9-10,12-15,17-19H2,1-8H3",SUQFTOPYIBMCAU,UHFFFAOYSA,N,Momoridcin,SUQFTOPYIBMCAU-UHFFFAOYSA-N
HMDB30513,800.492207012,C42H72O14,CC(=C)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C42H72O14/c1-20(2)22(45)10-16-42(8,56-37-35(52)33(50)31(48)25(19-44)54-37)21-9-14-41(7)29(21)23(46)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(51)32(49)30(47)24(18-43)53-36/h21-37,43-52H,1,9-19H2,2-8H3",UJUDHUMABIRGHD,UHFFFAOYSA,N,Majoroside F2,UJUDHUMABIRGHD-UHFFFAOYSA-N
HMDB30515,3318.563277545,C148H227N39O38S5,CCC(C)C(NC(=O)C(CCCCN)NC(=O)C1CSC(C)C2NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C3CSC(C)C(NC(=O)C(NC(=O)C4CSC(C)C(NC(=O)C5CSCC(NC(=O)C(CCCCN)NC(=O)C(N)CC6=CNC7=C6C=CC=C7)C(=O)NC(CCC(O)=O)C(=O)NC(=C)C(=O)NC(CC(C)C)C(=O)N5)C(=O)N5CCCC5C(=O)NCC(=O)N4)C(C)C)C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(=CC)C(=O)N3)C(C)SCC(NC2=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NC(=C)C(=O)NC(CCCCN)C(O)=O,"InChI=1S/C148H227N39O38S5/c1-21-74(13)114(144(220)161-77(16)120(196)169-93(148(224)225)41-30-33-51-151)182-127(203)89(40-29-32-50-150)165-136(212)103-66-228-80(19)117-146(222)180-105(138(214)174-99(59-109(155)190)133(209)179-103)68-229-79(18)116(145(221)175-97(56-72(9)10)134(210)184-117)183-128(204)91(44-47-108(154)189)167-130(206)96(55-71(7)8)172-132(208)98(57-82-35-24-23-25-36-82)173-137(213)104-67-227-78(17)115(142(218)158-61-110(191)159-75(14)119(195)170-94(53-69(3)4)129(205)166-90(43-46-107(153)188)126(202)163-86(22-2)123(199)178-104)185-143(219)113(73(11)12)181-140(216)102-65-230-81(20)118(147(223)187-52-34-42-106(187)141(217)157-62-111(192)162-102)186-139(215)101-64-226-63-100(135(211)168-92(45-48-112(193)194)124(200)160-76(15)121(197)171-95(54-70(5)6)131(207)177-101)176-125(201)88(39-28-31-49-149)164-122(198)85(152)58-83-60-156-87-38-27-26-37-84(83)87/h22-27,35-38,60,69-75,78-81,85,88-106,113-118,156H,15-16,21,28-34,39-59,61-68,149-152H2,1-14,17-20H3,(H2,153,188)(H2,154,189)(H2,155,190)(H,157,217)(H,158,218)(H,159,191)(H,160,200)(H,161,220)(H,162,192)(H,163,202)(H,164,198)(H,165,212)(H,166,205)(H,167,206)(H,168,211)(H,169,196)(H,170,195)(H,171,197)(H,172,208)(H,173,213)(H,174,214)(H,175,221)(H,176,201)(H,177,207)(H,178,199)(H,179,209)(H,180,222)(H,181,216)(H,182,203)(H,183,204)(H,184,210)(H,185,219)(H,186,215)(H,193,194)(H,224,225)",WPLOVIFNBMNBPD,UHFFFAOYSA,N,Subtilin,WPLOVIFNBMNBPD-UHFFFAOYSA-N
HMDB30516,239.152143543,C13H21NO3,C\C=C(\C)C(=O)OC1CN2CCCC2C1CO,"InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-",HQARVRYBUBTANR,OQFOIZHKSA,N,Petasinine,HQARVRYBUBTANR-OQFOIZHKSA-N
HMDB30517,1668.453522114,C71H84N18O18S6,C\C=C1/NC(=O)C(NC(=O)C2=CSC(=N2)C23CCC(NC2C2=CSC(=N2)C(NC(=S)C2=CSC(=N2)C(NC(=O)C2CSC1=N2)C(C)(O)C(C)O)C(C)OC(=O)C1=NC2=C(C=CC(NC(C(C)C)C(=O)NC(C)C(=O)NC(=C)C(=O)NC(C)C(=O)N3)C2O)C(=C1)C(C)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(O)=O)C(C)O,"InChI=1S/C71H84N18O18S6/c1-14-37-63-82-43(22-109-63)59(100)88-52(70(13,106)34(12)92)66-84-45(24-112-66)62(108)87-48-33(11)107-68(105)40-19-36(31(9)90)35-15-16-38(50(93)49(35)78-40)77-46(25(2)3)60(101)75-28(6)54(95)72-26(4)53(94)73-29(7)56(97)89-71(69-85-44(23-113-69)58(99)86-47(32(10)91)61(102)80-37)18-17-39(79-51(71)41-20-111-65(48)81-41)64-83-42(21-110-64)57(98)74-27(5)55(96)76-30(8)67(103)104/h14-16,19-21,23-25,28-29,31-34,38-39,43,46-48,50-52,77,79,90-93,106H,4-5,8,17-18,22H2,1-3,6-7,9-13H3,(H,72,95)(H,73,94)(H,74,98)(H,75,101)(H,76,96)(H,80,102)(H,86,99)(H,87,108)(H,88,100)(H,89,97)(H,103,104)/b37-14-",XLCGNZQPUQXSOY,ASKSIGGCSA,N,Thiopeptin Ba,XLCGNZQPUQXSOY-ASKSIGGCSA-N
HMDB30519,285.209264491,C19H27NO,CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C,"InChI=1S/C19H27NO/c1-3-4-5-6-7-8-9-12-16-15-19(21)17-13-10-11-14-18(17)20(16)2/h10-11,13-15H,3-9,12H2,1-2H3",XIGBBPQAXHSVSN,UHFFFAOYSA,N,1-Methyl-2-nonyl-4(1H)-quinolinone,XIGBBPQAXHSVSN-UHFFFAOYSA-N
HMDB30520,823.354090823,C43H49N7O10,CCC1NC(=O)C(NC(=O)C2=NC=CC=C2O)C(C)OC(=O)C(NC(=O)C2CC(=O)CCN2C(=O)C(CC2=CC=CC=C2)N(C)C(=O)C2CCCN2C1=O)C1=CC=CC=C1,"InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)",FEPMHVLSLDOMQC,UHFFFAOYSA,N,Virginiamycin,FEPMHVLSLDOMQC-UHFFFAOYSA-N
HMDB30521,286.120509064,C17H18O4,COC1=CC(OC)=C(C=C1)C1COC2=C(C1)C=CC(O)=C2,"InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3",TUXCLJQCYVCGDW,UHFFFAOYSA,N,Sativan,TUXCLJQCYVCGDW-UHFFFAOYSA-N
HMDB30522,416.219888756,C24H32O6,COC1=C(C)C(=O)OC(\C=C/C=C/C=C\C(\C)=C\C2(C)OC(C)C(C)(O)C2O)=C1C,"InChI=1S/C24H32O6/c1-15(14-23(5)22(26)24(6,27)18(4)30-23)12-10-8-9-11-13-19-16(2)20(28-7)17(3)21(25)29-19/h8-14,18,22,26-27H,1-7H3/b9-8+,12-10-,13-11-,15-14+",WQOZGNFAVRFSGE,ULPXYLRASA,N,Citreoviridin D,WQOZGNFAVRFSGE-ULPXYLRASA-N
HMDB30523,402.204238692,C23H30O6,COC1=C(C)C(=O)OC(\C=C/C=C/C=C\C(\C)=C\C2(C)OC(C)C(C)(O)C2O)=C1,"InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-13-19(27-6)16(2)20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9-,12-10-,15-14+",QPSHETAOAVLQIF,MAUVYNLPSA,N,Citreoviridin C,QPSHETAOAVLQIF-MAUVYNLPSA-N
HMDB30524,166.986340545,C7H5NS2,S=C1NC2=C(S1)C=CC=C2,"InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",YXIWHUQXZSMYRE,UHFFFAOYSA,N,2(3H)-Benzothiazolethione,YXIWHUQXZSMYRE-UHFFFAOYSA-N
HMDB30525,811.484376713,C42H65N7O9,CCC(C)C1NC(=O)C(CC2=COC=C2)N(C)C(=O)C(C)N(C)C(=O)C(CC(C)C)NC(=O)C(CC2=COC=C2)N(C)C(=O)C(NC(=O)C(NC1=O)C(C)C)C(C)C,"InChI=1S/C42H65N7O9/c1-13-26(8)35-39(53)44-33(24(4)5)38(52)45-34(25(6)7)42(56)49(12)31(19-28-14-16-57-21-28)36(50)43-30(18-23(2)3)41(55)47(10)27(9)40(54)48(11)32(37(51)46-35)20-29-15-17-58-22-29/h14-17,21-27,30-35H,13,18-20H2,1-12H3,(H,43,50)(H,44,53)(H,45,52)(H,46,51)",MHYASXKHPXOUMD,UHFFFAOYSA,N,Rhizonin A,MHYASXKHPXOUMD-UHFFFAOYSA-N
HMDB30526,272.104859,C16H16O4,COC1=C(C=CC(O)=C1)C1COC2=C(C1)C=CC(O)=C2,"InChI=1S/C16H16O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3",FFDNYMAHNWBKCH,UHFFFAOYSA,N,Isovestitol,FFDNYMAHNWBKCH-UHFFFAOYSA-N
HMDB30527,1100.695766468,C54H92N12O12,CCC(C)C1C\C(O)=N\C(CCN)\C(O)=N\C(C(C)CC)\C(O)=N\C(CCN)\C(O)=N\C(CC2=CC=CC=C2)\C(O)=N/C(CC(C)C)\C(O)=N\C(CCN)\C(O)=N\C(C(C)C)\C(O)=N\C(CC(C)C)\C(O)=N\C(CO)C(=O)O1,"InChI=1S/C54H92N12O12/c1-11-32(9)42-27-43(68)58-35(18-21-55)47(70)66-45(33(10)12-2)53(76)60-36(19-22-56)46(69)62-40(26-34-16-14-13-15-17-34)51(74)61-38(24-29(3)4)49(72)59-37(20-23-57)48(71)65-44(31(7)8)52(75)63-39(25-30(5)6)50(73)64-41(28-67)54(77)78-42/h13-17,29-33,35-42,44-45,67H,11-12,18-28,55-57H2,1-10H3,(H,58,68)(H,59,72)(H,60,76)(H,61,74)(H,62,69)(H,63,75)(H,64,73)(H,65,71)(H,66,70)",NPQJTPHMCZYCNP,UHFFFAOYSA,N,Permetin A,NPQJTPHMCZYCNP-UHFFFAOYSA-N
HMDB30528,585.345423619,C37H47NO5,CC(=C)C1OC2CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5C(O)C6C(=CC(C)(C)OC6(C)C)C5=C4)CCC3(O)C2=CC1O,"InChI=1S/C37H47NO5/c1-18(2)31-27(39)16-25-28(42-31)10-11-35(7)36(8)19(9-12-37(25,35)41)13-23-21-14-22-20(15-26(21)38-32(23)36)24-17-33(3,4)43-34(5,6)29(24)30(22)40/h14-17,19,27-31,38-41H,1,9-13H2,2-8H3",FYYNBFCZCKFSKS,UHFFFAOYSA,N,Janthitrem B,FYYNBFCZCKFSKS-UHFFFAOYSA-N
HMDB30529,603.355988305,C37H49NO6,CC(C)(O)C1OC2CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5C(O)C6C(=CC(C)(C)OC6(C)C)C5=C4)CCC3(O)C2=CC1O,"InChI=1S/C37H49NO6/c1-32(2)17-23-19-15-25-20(14-21(19)29(40)28(23)34(5,6)44-32)22-13-18-9-12-37(42)24-16-26(39)31(33(3,4)41)43-27(24)10-11-35(37,7)36(18,8)30(22)38-25/h14-18,26-29,31,38-42H,9-13H2,1-8H3",TVRIMSLYKUNOPS,UHFFFAOYSA,N,Janthitrem E,TVRIMSLYKUNOPS-UHFFFAOYSA-N
HMDB30530,645.366552991,C39H51NO7,CC(=O)OC1C=C2C(CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5C(O)C6C(=CC(C)(C)OC6(C)C)C5=C4)CCC23O)OC1C(C)(C)O,"InChI=1S/C39H51NO7/c1-19(41)45-29-17-26-28(46-33(29)35(4,5)43)11-12-37(8)38(9)20(10-13-39(26,37)44)14-24-22-15-23-21(16-27(22)40-32(24)38)25-18-34(2,3)47-36(6,7)30(25)31(23)42/h15-18,20,28-31,33,40,42-44H,10-14H2,1-9H3",SHMYDSYGDWIPKT,UHFFFAOYSA,N,Janthitrem F,SHMYDSYGDWIPKT-UHFFFAOYSA-N
HMDB30531,629.371638369,C39H51NO6,CC(=O)OC1C=C2C(CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5CC6C(=CC(C)(C)OC6(C)C)C5=C4)CCC23O)OC1C(C)(C)O,"InChI=1S/C39H51NO6/c1-20(41)44-31-18-28-30(45-33(31)35(4,5)42)11-12-37(8)38(9)22(10-13-39(28,37)43)16-25-24-14-21-15-27-26(19-34(2,3)46-36(27,6)7)23(21)17-29(24)40-32(25)38/h14,17-19,22,27,30-31,33,40,42-43H,10-13,15-16H2,1-9H3",PGYSJEQVCATFBQ,UHFFFAOYSA,N,Janthitrem G,PGYSJEQVCATFBQ-UHFFFAOYSA-N
HMDB30532,702.166302158,C22H36N6O16P2,CC(C)C(O)C(O)C(=O)NP(O)(=O)OCC1CC(O)C(O1)N1C=NC2=C1N=CN=C2NP(O)(=O)OC1OC(C(O)CO)C(O)C1O,"InChI=1S/C22H36N6O16P2/c1-8(2)13(32)15(34)20(36)27-45(37,38)41-5-9-3-10(30)21(42-9)28-7-25-12-18(23-6-24-19(12)28)26-46(39,40)44-22-16(35)14(33)17(43-22)11(31)4-29/h6-11,13-17,21-22,29-35H,3-5H2,1-2H3,(H2,27,36,37,38)(H2,23,24,26,39,40)",FIMRCGIHIAIVOL,UHFFFAOYSA,N,Agrocin 84,FIMRCGIHIAIVOL-UHFFFAOYSA-N
HMDB30533,190.11061308,C11H14N2O,CN1CCC2(O)C1NC1=CC=CC=C21,"InChI=1S/C11H14N2O/c1-13-7-6-11(14)8-4-2-3-5-9(8)12-10(11)13/h2-5,10,12,14H,6-7H2,1H3",CBQYNPHHHJTCJS,UHFFFAOYSA,N,Alline,CBQYNPHHHJTCJS-UHFFFAOYSA-N
HMDB30534,1124.597853872,C54H92O24,CC(C)(O)\C=C\CC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C54H92O24/c1-49(2,70)13-9-14-54(8,78-47-43(69)39(65)36(62)28(75-47)22-71-45-41(67)37(63)33(59)25(19-55)72-45)23-10-16-53(7)32(23)24(58)18-30-51(5)15-12-31(50(3,4)29(51)11-17-52(30,53)6)76-48-44(40(66)35(61)27(21-57)74-48)77-46-42(68)38(64)34(60)26(20-56)73-46/h9,13,23-48,55-70H,10-12,14-22H2,1-8H3/b13-9+",NPZAABKZLIBPQV,UKTHLTGXSA,N,Notoginsenoside A,NPZAABKZLIBPQV-UKTHLTGXSA-N
HMDB30535,978.539945064,C48H82O20,CC(C)(OO)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C48H82O20/c1-43(2,68-61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3/b13-9+",QIJZJJDYRMOHTP,UKTHLTGXSA,N,Notoginsenoside E,QIJZJJDYRMOHTP-UKTHLTGXSA-N
HMDB30536,800.492207012,C42H72O14,CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C42H72O14/c1-37(2,52)13-9-14-42(8,56-36-34(51)32(49)30(47)24(20-44)54-36)21-10-16-41(7)28(21)22(45)18-26-39(5)15-12-27(38(3,4)25(39)11-17-40(26,41)6)55-35-33(50)31(48)29(46)23(19-43)53-35/h9,13,21-36,43-52H,10-12,14-20H2,1-8H3/b13-9+",DLGUZDHEUZPNLJ,UKTHLTGXSA,N,Majoroside F4,DLGUZDHEUZPNLJ-UKTHLTGXSA-N
HMDB30537,584.422945658,C40H56O3,C\C(\C=C\C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1,"InChI=1S/C40H56O3/c1-29(18-13-19-31(3)22-25-40-37(7,8)27-33(41)28-39(40,10)43-40)16-11-12-17-30(2)20-14-21-32(4)34-26-35-36(5,6)23-15-24-38(35,9)42-34/h11-14,16-22,25-26,33-34,41H,15,23-24,27-28H2,1-10H3/b12-11+,18-13+,20-14+,25-22+,29-16+,30-17+,31-19+,32-21+",RXRDUVZIGPRFRB,YLFACGADSA,N,"Cryptoxanthin 5,6:5',8'-diepoxide",RXRDUVZIGPRFRB-YLFACGADSA-N
HMDB30538,568.428031036,C40H56O2,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-24-36-34(5)22-15-26-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)25-27-40-38(8,9)28-35(41)29-39(40,10)42-40/h11-14,16-21,23-25,27,35,41H,15,22,26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+",CMOLUFWHADIFGS,JEFJXCMXSA,N,Cryptoxanthin epoxide,CMOLUFWHADIFGS-JEFJXCMXSA-N
HMDB30539,372.120902994,C20H20O7,COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1,"InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3",ULSUXBXHSYSGDT,UHFFFAOYSA,N,Tangeritin,ULSUXBXHSYSGDT-UHFFFAOYSA-N
HMDB30540,122.073164942,C8H10O,CC1=CC(O)=C(C)C=C1,"InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3",NKTOLZVEWDHZMU,UHFFFAOYSA,N,"2,5-Dimethylphenol",NKTOLZVEWDHZMU-UHFFFAOYSA-N
HMDB30541,274.084123558,C15H14O5,OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C=C(O)C=C2,"InChI=1S/C15H14O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,13,15-19H,5H2",VFZYLYJWCROVLO,UHFFFAOYSA,N,"3,3',4',7-Tetrahydroxyflavan",VFZYLYJWCROVLO-UHFFFAOYSA-N
HMDB30542,612.205420482,C28H36O15,COC1=C(O)C=C(CCC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O)C=C1,"InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3",ITVGXXMINPYUHD,UHFFFAOYSA,N,Neohesperidin dihydrochalcone,ITVGXXMINPYUHD-UHFFFAOYSA-N
HMDB30543,286.047738052,C15H10O6,OC1=CC(O)=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H",ZSYPIPFQOQGYHH,UHFFFAOYSA,N,Norartocarpetin,ZSYPIPFQOQGYHH-UHFFFAOYSA-N
HMDB30544,314.07903818,C17H14O6,COC1=C(O)C=C(O)C2=C1OC(=C(OC)C2=O)C1=CC=CC=C1,"InChI=1S/C17H14O6/c1-21-15-11(19)8-10(18)12-13(20)17(22-2)14(23-16(12)15)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3",OWQLBLNRUZULFV,UHFFFAOYSA,N,Gnaphaliin,OWQLBLNRUZULFV-UHFFFAOYSA-N
HMDB30545,314.07903818,C17H14O6,COC1=C(OC)C2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=CC=C1,"InChI=1S/C17H14O6/c1-21-11-8-10(18)12-13(19)14(20)15(9-6-4-3-5-7-9)23-17(12)16(11)22-2/h3-8,18,20H,1-2H3",CILMBWBPHLLNEH,UHFFFAOYSA,N,"5-Hydroxy-7,8-dimethoxyflavonol",CILMBWBPHLLNEH-UHFFFAOYSA-N
HMDB30546,314.07903818,C17H14O6,COC1=C(OC)C2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=C(O)C=C1,"InChI=1S/C17H14O6/c1-21-14-8-12(20)15-11(19)7-13(23-17(15)16(14)22-2)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3",FTFPXINQVCVDEY,UHFFFAOYSA,N,"4',5-Dihydroxy-7,8-dimethoxyflavone",FTFPXINQVCVDEY-UHFFFAOYSA-N
HMDB30547,316.058302738,C16H12O7,COC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC=C(O)C=C2)C=C1O,"InChI=1S/C16H12O7/c1-22-16-9(18)6-10-11(13(16)20)12(19)14(21)15(23-10)7-2-4-8(17)5-3-7/h2-6,17-18,20-21H,1H3",OGQSUSFDBWGFFJ,UHFFFAOYSA,N,"3,4',5,7-Tetrahydroxy-6-methoxyflavone",OGQSUSFDBWGFFJ-UHFFFAOYSA-N
HMDB30548,478.111126168,C22H22O12,COC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1",DMXHXBGUNHLMQO,IWLDQSELSA,N,Nepitrin,DMXHXBGUNHLMQO-IWLDQSELSA-N
HMDB30549,262.120509064,C15H18O4,COC1=CC(=O)OC(CCC2=CC=C(OC)C=C2)C1,"InChI=1S/C15H18O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-4,6-7,10,13H,5,8-9H2,1-2H3",IZGFAKZIDOQLHS,UHFFFAOYSA,N,"5,6-Dihydro-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one",IZGFAKZIDOQLHS-UHFFFAOYSA-N
HMDB30550,484.188588628,C30H28O6,COC1=CC2=C(C=CC(=O)O2)C=C1\C=C\C1(C)CCC(C)=CC1C1=C(OC)C=C2OC(=O)C=CC2=C1,"InChI=1S/C30H28O6/c1-18-9-11-30(2,12-10-21-14-19-5-7-28(31)35-25(19)16-24(21)33-3)23(13-18)22-15-20-6-8-29(32)36-26(20)17-27(22)34-4/h5-8,10,12-17,23H,9,11H2,1-4H3/b12-10+",SWGAQLQAABDHGT,ZRDIBKRKSA,N,Thamnosin,SWGAQLQAABDHGT-ZRDIBKRKSA-N
HMDB30551,868.148693464,C43H32O20,OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C2=C1C=C(C=C(O)C2=O)C1OC2=CC(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)",ZEASWHWETFMWCV,UHFFFAOYSA,N,"Theaflavin 3,3'-digallate",ZEASWHWETFMWCV-UHFFFAOYSA-N
HMDB30552,352.021917232,C18H8O8,OC1=CC2=C(C=C1O)C1=C(O2)C(=O)C2=C(OC3=C2C=C(O)C(O)=C3)C1=O,"InChI=1S/C18H8O8/c19-7-1-5-11(3-9(7)21)25-17-13(5)15(23)18-14(16(17)24)6-2-8(20)10(22)4-12(6)26-18/h1-4,19-22H",PDICCECAPKBDBB,UHFFFAOYSA,N,Thelephoric acid,PDICCECAPKBDBB-UHFFFAOYSA-N
HMDB30553,492.126776232,C23H24O12,COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3",JGXFMIJHKASCIZ,UHFFFAOYSA,N,Tricin 7-glucoside,JGXFMIJHKASCIZ-UHFFFAOYSA-N
HMDB30554,410.318480588,C28H42O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=C(C)C(O)=CC(C)=C2O1,"InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+",FGYKUFVNYVMTAM,NTZRDTQNSA,N,epsilon-Tocopherol,FGYKUFVNYVMTAM-NTZRDTQNSA-N
HMDB30555,294.146723814,C16H22O5,CC1=C(C)C(=O)C(CCC(C)(O)CCC(O)=O)=C(C)C1=O,"InChI=1S/C16H22O5/c1-9-10(2)15(20)12(11(3)14(9)19)5-7-16(4,21)8-6-13(17)18/h21H,5-8H2,1-4H3,(H,17,18)",LRYFTDGIIUTFFA,UHFFFAOYSA,N,Tocopheronic acid,LRYFTDGIIUTFFA-UHFFFAOYSA-N
HMDB30556,460.188588628,C28H28O6,CC(C)=CCC1=C2OC3=C(C(O)=C4C=CC(C)(C)OC4=C3)C(=O)C2=C2C=CC(C)(C)OC2=C1O,"InChI=1S/C28H28O6/c1-14(2)7-8-17-23(30)26-16(10-12-28(5,6)34-26)20-24(31)21-19(32-25(17)20)13-18-15(22(21)29)9-11-27(3,4)33-18/h7,9-13,29-30H,8H2,1-6H3",NKTLGMPGRFCLNF,UHFFFAOYSA,N,Tovophyllin B,NKTLGMPGRFCLNF-UHFFFAOYSA-N
HMDB30557,550.205026552,C27H34O12,COC1=C(OC)C=C(CC2COC(=O)C2(O)CC2=CC(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C=C1,"InChI=1S/C27H34O12/c1-34-17-6-4-14(9-19(17)35-2)8-16-13-37-26(32)27(16,33)11-15-5-7-18(20(10-15)36-3)38-25-24(31)23(30)22(29)21(12-28)39-25/h4-7,9-10,16,21-25,28-31,33H,8,11-13H2,1-3H3",LWYAMIUSVGPFKS,UHFFFAOYSA,N,Tracheloside,LWYAMIUSVGPFKS-UHFFFAOYSA-N
HMDB30558,612.169034976,C27H32O16,OCC1OC(C(O)C(O)C1O)C1(O)C(O)=C(C(O)C2OCC(O)C(O)C2O)C(=O)C(C(=O)\C=C/C2=CC=C(O)C=C2)=C1O,"InChI=1S/C27H32O16/c28-7-13-17(33)20(36)22(38)26(43-13)27(41)24(39)14(11(30)6-3-9-1-4-10(29)5-2-9)18(34)15(25(27)40)19(35)23-21(37)16(32)12(31)8-42-23/h1-6,12-13,16-17,19-23,26,28-29,31-33,35-41H,7-8H2/b6-3-",NNXHCBKOBDDJFM,UTCJRWHESA,N,Safflomin A,NNXHCBKOBDDJFM-UTCJRWHESA-N
HMDB30559,474.043440534,C21H14O13,OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1,"InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)",QUXNYZHQBWMPNX,UHFFFAOYSA,N,m-Trigallic acid,QUXNYZHQBWMPNX-UHFFFAOYSA-N
HMDB30560,410.063782046,C21H14O9,CC(=O)OC1=CC2=C(C=C1)C1=C(C3=CC(OC(C)=O)=C(OC(C)=O)C=C3O1)C(=O)O2,"InChI=1S/C21H14O9/c1-9(22)26-12-4-5-13-15(6-12)30-21(25)19-14-7-17(27-10(2)23)18(28-11(3)24)8-16(14)29-20(13)19/h4-8H,1-3H3",XZTLRBKHOHDMTG,UHFFFAOYSA,N,"7,11,12-Triacetoxycoumestan",XZTLRBKHOHDMTG-UHFFFAOYSA-N
HMDB30561,312.063388116,C17H12O6,COC1=C(OC)C=C2C(OC3=C2C(=O)OC2=C3C=CC(O)=C2)=C1,"InChI=1S/C17H12O6/c1-20-13-6-10-12(7-14(13)21-2)22-16-9-4-3-8(18)5-11(9)23-17(19)15(10)16/h3-7,18H,1-2H3",PKLPURDVDNBFCI,UHFFFAOYSA,N,"3-Hydroxy-8,9-dimethoxycoumestan",PKLPURDVDNBFCI-UHFFFAOYSA-N
HMDB30562,298.047738052,C16H10O6,COC1=C(O)C=C2OC3=C(C2=C1)C(=O)OC1=C3C=CC(O)=C1,"InChI=1S/C16H10O6/c1-20-13-5-9-12(6-10(13)18)21-15-8-3-2-7(17)4-11(8)22-16(19)14(9)15/h2-6,17-18H,1H3",MQORJFLPGOCLDS,UHFFFAOYSA,N,"3,8-Dihydroxy-9-methoxycoumestan",MQORJFLPGOCLDS-UHFFFAOYSA-N
HMDB30563,312.063388116,C17H12O6,OC1=C(C(=O)O\C1=C/C1=CC(O)=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C17H12O6/c18-11-4-2-10(3-5-11)15-16(21)14(23-17(15)22)8-9-1-6-12(19)13(20)7-9/h1-8,18-21H/b14-8-",ZGCIQJGTALTNIG,ZSOIEALJSA,N,"3',4,4'-Trihydroxypulvinone",ZGCIQJGTALTNIG-ZSOIEALJSA-N
HMDB30564,390.131467668,C20H22O8,OC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",HSTZMXCBWJGKHG,CUYWLFDKSA,N,trans-Piceid,HSTZMXCBWJGKHG-CUYWLFDKSA-N
HMDB30565,390.13146768,C20H22O8,OCC1OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C(O)C1O,"InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-5-3-11(4-6-15)1-2-12-7-13(22)9-14(23)8-12/h1-9,16-26H,10H2/b2-1-",RUOKEYJFAJITAG,UPHRSURJSA,N,(Z)-Resveratrol 4'-glucoside,RUOKEYJFAJITAG-UPHRSURJSA-N
HMDB30566,714.346271058,C35H54O15,CC1OC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C35H54O15/c1-16-24(39)27(42)29(50-30-28(43)26(41)25(40)22(13-36)49-30)31(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,16,18-22,24-31,36-37,39-45H,3-10,12-15H2,1-2H3",DGPZFZCNZRLKLF,UHFFFAOYSA,N,Neoconvallatoxoloside,DGPZFZCNZRLKLF-UHFFFAOYSA-N
HMDB30567,314.115423686,C18H18O5,COC1=CC2=C(C=C1)C1COC3=C(C=CC(OC)=C3OC)C1O2,"InChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-17-12(16(13)23-15(11)8-10)6-7-14(20-2)18(17)21-3/h4-8,13,16H,9H2,1-3H3",XLPOISABZDNFQM,UHFFFAOYSA,N,"(-)-3,4,9-Trimethoxypterocarpan",XLPOISABZDNFQM-UHFFFAOYSA-N
HMDB30568,516.048131982,C30H12O9,OC1=CC=CC2=C1C(=O)C1=C(C2=O)C2=C(C(=O)C3=C(C(O)=CC=C3)C2=O)C2=C1C(=O)C1=C(C(O)=CC=C1)C2=O,"InChI=1S/C30H12O9/c31-13-7-1-4-10-16(13)28(37)22-19(25(10)34)23-21(27(36)11-5-2-8-14(32)17(11)29(23)38)24-20(22)26(35)12-6-3-9-15(33)18(12)30(24)39/h1-9,31-33H",DNGCQXLPUZWYNB,UHFFFAOYSA,N,Trisjuglone,DNGCQXLPUZWYNB-UHFFFAOYSA-N
HMDB30569,462.116211546,C22H22O11,COC1=CC2=C(C(=O)C=C(O2)C2=CC(O)=C(O)C=C2)C(O)=C1C1OC(CO)C(O)C(O)C1O,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3",DLVLXOYLQKCAME,UHFFFAOYSA,N,Swertiajaponin,DLVLXOYLQKCAME-UHFFFAOYSA-N
HMDB30570,154.062994186,C8H10O3,COC1=CC(CO)=CC(O)=C1,"InChI=1S/C8H10O3/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4,9-10H,5H2,1H3",OANKJSUXMPAWAT,UHFFFAOYSA,N,Sylvopinol,OANKJSUXMPAWAT-UHFFFAOYSA-N
HMDB30571,196.073558872,C10H12O4,OCC(O)CC1=CC2=C(OCO2)C=C1,"InChI=1S/C10H12O4/c11-5-8(12)3-7-1-2-9-10(4-7)14-6-13-9/h1-2,4,8,11-12H,3,5-6H2",FYDVPEVHFUBOJG,UHFFFAOYSA,N,"(+)-3-(3,4-Methylenedioxyphenyl)-1,2-propanediol",FYDVPEVHFUBOJG-UHFFFAOYSA-N
HMDB30572,202.135765198,C14H18O,C\C=C/C1=CC2=C(OC(C)(C)C2C)C=C1,"InChI=1S/C14H18O/c1-5-6-11-7-8-13-12(9-11)10(2)14(3,4)15-13/h5-10H,1-4H3/b6-5-",YXEPEHFXXORWGP,WAYWQWQTSA,N,(±)-Anisoxide,YXEPEHFXXORWGP-WAYWQWQTSA-N
HMDB30573,358.141638436,C20H22O6,COC1=C(O)C=CC(=C1)C1OCC(CC2=CC3=C(OCO3)C=C2)C1CO,"InChI=1S/C20H22O6/c1-23-18-8-13(3-4-16(18)22)20-15(9-21)14(10-24-20)6-12-2-5-17-19(7-12)26-11-25-17/h2-5,7-8,14-15,20-22H,6,9-11H2,1H3",GRYMYKQGSSTJBA,UHFFFAOYSA,N,Sanshodiol,GRYMYKQGSSTJBA-UHFFFAOYSA-N
HMDB30574,704.174120354,C36H32O15,OCC1OC(C(O)C(O)C1O)C1=C(O)C(OC2=CC=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O,"InChI=1S/C36H32O15/c37-14-25-29(43)33(47)34(48)35(51-25)28-30(44)27(20(40)10-3-15-1-6-17(38)7-2-15)31(45)36(32(28)46)49-19-8-4-16(5-9-19)23-13-22(42)26-21(41)11-18(39)12-24(26)50-23/h1-12,23,25,29,33-35,37-39,41,43-48H,13-14H2/b10-3+",QAYDNOZSJGIPSH,XCVCLJGOSA,N,Occidentoside,QAYDNOZSJGIPSH-XCVCLJGOSA-N
HMDB30575,342.110338308,C19H18O6,COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C=C2O1,"InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3",URSUMOWUGDXZHU,UHFFFAOYSA,N,"4',5,6,7-Tetramethoxyflavone",URSUMOWUGDXZHU-UHFFFAOYSA-N
HMDB30576,552.433116414,C40H56O,CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C,"InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-29,38-39,41H,13,20,30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+",DKHPMPVMENETGL,HNNISBQLSA,N,"epsilon,gamma-Caroten-3-ol",DKHPMPVMENETGL-HNNISBQLSA-N
HMDB30577,174.031694058,C10H6O3,O=CC1=CC2=CC=CC=C2C(=O)O1,InChI=1S/C10H6O3/c11-6-8-5-7-3-1-2-4-9(7)10(12)13-8/h1-6H,ALHVSADYXQWYJH,UHFFFAOYSA,N,1-Oxo-1H-2-benzopyran-3-carboxaldehyde,ALHVSADYXQWYJH-UHFFFAOYSA-N
HMDB30578,260.104859,C15H16O4,COC1=C(O)C(CC=C(C)C)=CC2=C1OC(=O)C=C2,"InChI=1S/C15H16O4/c1-9(2)4-5-10-8-11-6-7-12(16)19-14(11)15(18-3)13(10)17/h4,6-8,17H,5H2,1-3H3",NYTURSQQJRVHPG,UHFFFAOYSA,N,Apigravin,NYTURSQQJRVHPG-UHFFFAOYSA-N
HMDB30579,288.099773622,C16H16O5,CC(C)=CCC(O)C1=CC(=O)C2=C(O)C=CC(O)=C2C1=O,"InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3",NEZONWMXZKDMKF,UHFFFAOYSA,N,C.I. Natural Red 20,NEZONWMXZKDMKF-UHFFFAOYSA-N
HMDB30580,192.07864425,C11H12O3,CC1=CC2=C(C(=O)CCC2O)C(O)=C1,"InChI=1S/C11H12O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h4-5,8,12,14H,2-3H2,1H3",JOCZVRFSKAUXRP,UHFFFAOYSA,N,(R)-Shinanolone,JOCZVRFSKAUXRP-UHFFFAOYSA-N
HMDB30581,757.19798938,C36H37O18,OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1",YPXWWSJGANMFFQ,UHFFFAOYSA,O,Perillanin,YPXWWSJGANMFFQ-UHFFFAOYSA-O
HMDB30582,236.068473494,C12H12O5,COC1=C(OC)C(\C=C/C=O)=CC2=C1OCO2,"InChI=1S/C12H12O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h3-6H,7H2,1-2H3/b4-3-",UQBPCDWQJZVCPU,ARJAWSKDSA,N,Dillapional,UQBPCDWQJZVCPU-ARJAWSKDSA-N
HMDB30583,482.121296924,C25H22O10,COC1=C(O)C=CC(=C1)C1OC2=C(OC1CO)C=CC(=C2)C1OC2=CC(O)=CC(O)=C2C(=O)C1O,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3",SEBFKMXJBCUCAI,UHFFFAOYSA,N,Silibinin,SEBFKMXJBCUCAI-UHFFFAOYSA-N
HMDB30584,484.136946988,C25H24O10,COC1=C(O)C=CC(=C1)C1C2COC3(O)C2C(CC1C3=O)C1OC2=CC(O)=CC(O)=C2C(=O)C1O,"InChI=1S/C25H24O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-6,11-13,18,20,22-23,26-28,30,32H,7-8H2,1H3",RYFSLTQGWPBSRH,UHFFFAOYSA,N,Silidianin,RYFSLTQGWPBSRH-UHFFFAOYSA-N
HMDB30585,468.142032366,C25H24O9,COC1=C(O)C=CC(=C1)C1C2COC3(O)C2C(CC1C3=O)C1CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C25H24O9/c1-32-19-4-10(2-3-15(19)27)21-13-7-12(23-14(21)9-33-25(23,31)24(13)30)18-8-17(29)22-16(28)5-11(26)6-20(22)34-18/h2-6,12-14,18,21,23,26-28,31H,7-9H2,1H3",PGVCJDNRHYVFET,UHFFFAOYSA,N,Silymonin,PGVCJDNRHYVFET-UHFFFAOYSA-N
HMDB30586,584.422945658,C40H56O3,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(O)C(O)CC1(C)C,"InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+",RNQDFWZVKBSPOZ,ROKXECAJSA,N,"(3S,3'R,4xi)-beta,beta-Carotene-3,3',4-triol",RNQDFWZVKBSPOZ-ROKXECAJSA-N
HMDB30587,346.068867424,C17H14O8,COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O,"InChI=1S/C17H14O8/c1-23-10-5-7(3-4-8(10)18)16-15(22)13(20)12-11(25-16)6-9(19)17(24-2)14(12)21/h3-6,18-19,21-22H,1-2H3",XWIDINOKCRFVHQ,UHFFFAOYSA,N,Spinacetin,XWIDINOKCRFVHQ-UHFFFAOYSA-N
HMDB30588,324.063388116,C18H12O6,COC1=CC2=C(C3C=COC3O2)C2=C1C(=O)C1=C(O)C=CC=C1O2,"InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3",UTSVPXMQSFGQTM,UHFFFAOYSA,N,Sterigmatocystin,UTSVPXMQSFGQTM-UHFFFAOYSA-N
HMDB30589,338.07903818,C19H14O6,COC1=CC2=C(C3C=COC3O2)C2=C1C(=O)C1=C(OC)C=CC=C1O2,"InChI=1S/C19H14O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-9,19H,1-2H3",JKUJKKGMOZDDJV,UHFFFAOYSA,N,O-Methylsterigmatocystin,JKUJKKGMOZDDJV-UHFFFAOYSA-N
HMDB30590,326.07903818,C18H14O6,COC1=CC2=C(C3CCOC3O2)C2=C1C(=O)C1=C(O)C=CC=C1O2,"InChI=1S/C18H14O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-4,7-8,18-19H,5-6H2,1H3",RHGQIWVTIHZRLI,UHFFFAOYSA,N,Dihydrosterigmatocystin,RHGQIWVTIHZRLI-UHFFFAOYSA-N
HMDB30591,340.094688244,C19H16O6,COC1=CC2=C(C3CCOC3O2)C2=C1C(=O)C1=C(OC)C=CC=C1O2,"InChI=1S/C19H16O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-5,8-9,19H,6-7H2,1-2H3",WSBZDTWHZJNGKQ,UHFFFAOYSA,N,Dihydro-O-methylsterigmatocystin,WSBZDTWHZJNGKQ-UHFFFAOYSA-N
HMDB30592,384.084517488,C20H16O8,COC1=CC2=C(C3C=COC3O2)C2=C1C(=O)C1=C(O2)C(OC)=C(OC)C=C1O,"InChI=1S/C20H16O8/c1-23-10-7-11-13(8-4-5-26-20(8)27-11)18-15(10)16(22)14-9(21)6-12(24-2)17(25-3)19(14)28-18/h4-8,20-21H,1-3H3",RSPJLZQIZABVSE,UHFFFAOYSA,N,"5,6-Dimethoxysterigmatocystin",RSPJLZQIZABVSE-UHFFFAOYSA-N
HMDB30593,426.167853186,C24H26O7,CC(C)=CC(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)C=C(C)C,"InChI=1S/C24H26O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-12,22-23H,1-6H3",QMDNUCYGVSWWRO,UHFFFAOYSA,N,Edulisin II,QMDNUCYGVSWWRO-UHFFFAOYSA-N
HMDB30594,490.162767808,C28H26O8,CC(C)=CC(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C28H26O8/c1-16(2)15-23(32)35-26-24-20(12-8-18-9-14-21(30)34-25(18)24)33-27(26)28(3,4)36-22(31)13-7-17-5-10-19(29)11-6-17/h5-15,26-27,29H,1-4H3/b13-7+",JZZJEBOMWXWTEY,NTUHNPAUSA,N,Edulisin I,JZZJEBOMWXWTEY-NTUHNPAUSA-N
HMDB30595,244.073558872,C14H12O4,COC1=CC2=C(C=CC(=O)O2)C=C1\C=C\C(C)=O,"InChI=1S/C14H12O4/c1-9(15)3-4-10-7-11-5-6-14(16)18-13(11)8-12(10)17-2/h3-8H,1-2H3/b4-3+",GSVYFPMXLIFUDJ,ONEGZZNKSA,N,Suberenone,GSVYFPMXLIFUDJ-ONEGZZNKSA-N
HMDB30596,328.094688244,C18H16O6,CC(C)=CCC1=C2OC3=C(C=CC(O)=C3O)C(=O)C2=C(O)C=C1O,"InChI=1S/C18H16O6/c1-8(2)3-4-9-12(20)7-13(21)14-15(22)10-5-6-11(19)16(23)18(10)24-17(9)14/h3,5-7,19-21,23H,4H2,1-2H3",ZZUFNBISWJNCEE,UHFFFAOYSA,N,Ugaxanthone,ZZUFNBISWJNCEE-UHFFFAOYSA-N
HMDB30597,366.219494826,C24H30O3,CC(C)=CCC\C(C)=C/CC\C(C)=C\COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9-,20-15+",GNMUGVNEWCZUAA,SGRLLCBQSA,N,Umbelliprenin,GNMUGVNEWCZUAA-SGRLLCBQSA-N
HMDB30598,374.136553058,C20H22O7,COC1=C(O)C=CC(CC2COC(=O)C2(O)CC2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3",ZITBJWXLODLDRH,UHFFFAOYSA,N,(-)-Wikstromol,ZITBJWXLODLDRH-UHFFFAOYSA-N
HMDB30599,296.141244506,C19H20O3,CC(C)\C=C\C1=C(O)C=C(\C=C/C2=CC=C(O)C=C2)C=C1O,"InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-13,20-22H,1-2H3/b5-4-,10-3+",XTDKVQYWANHUFS,MZTCIMCMSA,N,"5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol",XTDKVQYWANHUFS-MZTCIMCMSA-N
HMDB30600,312.136159128,C19H20O4,CC(C)\C=C\C1=C(O)C=C(\C=C/C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C19H20O4/c1-12(2)3-7-15-17(21)10-14(11-18(15)22)5-4-13-6-8-16(20)19(23)9-13/h3-12,20-23H,1-2H3/b5-4-,7-3+",YOWZUITYQFPEGQ,SBYNAHCQSA,N,"4-(3-Methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene",YOWZUITYQFPEGQ-SBYNAHCQSA-N
HMDB30601,386.136553058,C21H22O7,C\C=C(\C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(C)=O,"InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(25-19(18)21(4,5)28-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-",FFCDTHIJWHJUQJ,WDZFZDKYSA,N,Edultin,FFCDTHIJWHJUQJ-WDZFZDKYSA-N
HMDB30602,934.071231004,C41H26O26,OC1C2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C3C(=C(O)C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)OC1COC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(C=C(O)C(O)=C4O)C(=O)OC1C2OC3=O,"InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2",UDYKDZHZAKSYCO,UHFFFAOYSA,N,Vescalagin,UDYKDZHZAKSYCO-UHFFFAOYSA-N
HMDB30603,678.188982558,C42H30O9,OC1=CC=C(C=C1)C1OC2=CC(O)=CC3=C2C1C1=C2C(C(OC2=CC(O)=C1)C1=CC=C(O)C=C1)C1=C2C3C(OC2=CC(O)=C1)C1=CC=C(O)C=C1,"InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H",KUTVNHOAKHJJFL,UHFFFAOYSA,N,alpha-Viniferin,KUTVNHOAKHJJFL-UHFFFAOYSA-N
HMDB30604,454.141638436,C28H22O6,OC1=CC=C(\C=C/C2=CC(O)=CC3=C2C(C(O3)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1,"InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1-",FQWLMRXWKZGLFI,RJRFIUFISA,N,epsilon-Viniferin,FQWLMRXWKZGLFI-RJRFIUFISA-N
HMDB30605,326.115423686,C19H18O5,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(O2)C(O)=CC=C1,"InChI=1S/C19H18O5/c1-10(2)7-8-11-14(23-3)9-15-16(17(11)21)18(22)12-5-4-6-13(20)19(12)24-15/h4-7,9,20-21H,8H2,1-3H3",INFMYEMPDJIILH,UHFFFAOYSA,N,"1,5-Dihydroxy-3-methoxy-2-prenylxanthone",INFMYEMPDJIILH-UHFFFAOYSA-N
HMDB30606,326.115423686,C19H18O5,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(O2)C=CC(O)=C1,"InChI=1S/C19H18O5/c1-10(2)4-6-12-15(23-3)9-16-17(18(12)21)19(22)13-8-11(20)5-7-14(13)24-16/h4-5,7-9,20-21H,6H2,1-3H3",JKOMBLYQDHTFJC,UHFFFAOYSA,N,"1,7-Dihydroxy-3-methoxy-2-prenylxanthone",JKOMBLYQDHTFJC-UHFFFAOYSA-N
HMDB30607,552.433116414,C40H56O,C\C(CCC1OC1(C)C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26,28,38H,16,25,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+",SELMQMFULRQVFS,AACGPBLISA,N,"(S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene",SELMQMFULRQVFS-AACGPBLISA-N
HMDB30608,602.360739332,C38H50O6,CC(C)=CCC1CC2(CC(CCC(C)=C)C(C)=C)C(O)=C(C(=O)C3=CC(O)=C(O)C=C3)C(=O)C(CC=C(C)C)(C2=O)C1(C)C,"InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h12,14,16-17,19,27-28,39-40,42H,1,7,11,13,15,18,20-21H2,2-6,8-10H3",ZLMZRAYSIVLUPA,UHFFFAOYSA,N,Xanthochymol,ZLMZRAYSIVLUPA-UHFFFAOYSA-N
HMDB30609,720.169034976,C36H32O16,OCC1OC(OC2=C(C3C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C3=C(C(=O)CC(O3)C3=CC(O)=C(O)C=C3)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C36H32O16/c37-12-25-30(45)32(47)33(48)36(52-25)51-24-11-21(44)26-20(43)10-22(14-3-6-17(40)18(41)7-14)49-35(26)28(24)29-31(46)27-19(42)8-16(39)9-23(27)50-34(29)13-1-4-15(38)5-2-13/h1-9,11,22,25,29-30,32-34,36-42,44-45,47-48H,10,12H2",XGQOXAVFFQEOBL,UHFFFAOYSA,N,Xanthochymuside,XGQOXAVFFQEOBL-UHFFFAOYSA-N
HMDB30610,340.13107375,C20H20O5,CC(C)=CCC1=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C=C1O,"InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+",FUSADYLVRMROPL,UXBLZVDNSA,N,Desmethylxanthohumol,FUSADYLVRMROPL-UXBLZVDNSA-N
HMDB30611,374.100167552,C19H18O8,COC1=C(O)C2=C(C(O)=C1)C(=O)C(OC)=C(O2)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-10(20)8-13(25-3)15(21)18(14)27-17/h5-8,20-21H,1-4H3",HVUBHXRYARBAGR,UHFFFAOYSA,N,"5,8-Dihydroxy-3,3',4',7-tetramethoxyflavone",HVUBHXRYARBAGR-UHFFFAOYSA-N
HMDB30612,440.459331164,C29H60O2,CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCO,"InChI=1S/C29H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-29(31)27-24-21-18-16-19-22-25-28-30/h29-31H,2-28H2,1H3",HMYFTPQNKKROFX,UHFFFAOYSA,N,"1,10-Nonacosanediol",HMYFTPQNKKROFX-UHFFFAOYSA-N
HMDB30613,426.4436811,C28H58O2,CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCO,"InChI=1S/C28H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(30)26-23-20-17-18-21-24-27-29/h28-30H,2-27H2,1H3",MTWCAGHCNATHOT,UHFFFAOYSA,N,"1,9-Octacosanediol",MTWCAGHCNATHOT-UHFFFAOYSA-N
HMDB30614,448.100561482,C21H20O11,OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2",PLAPMLGJVGLZOV,UHFFFAOYSA,N,Orientin,PLAPMLGJVGLZOV-UHFFFAOYSA-N
HMDB30615,454.474981228,C30H62O2,CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCO,"InChI=1S/C30H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30(32)28-25-22-19-16-17-20-23-26-29-31/h30-32H,2-29H2,1H3",FFFLUGIGEZHIBO,UHFFFAOYSA,N,"1,11-Triacontanediol",FFFLUGIGEZHIBO-UHFFFAOYSA-N
HMDB30616,258.089208936,C15H14O4,COC(C)(C)C1=CC2=C(O1)C=CC1=C2OC(=O)C=C1,"InChI=1S/C15H14O4/c1-15(2,17-3)12-8-10-11(18-12)6-4-9-5-7-13(16)19-14(9)10/h4-8H,1-3H3",ZTUJKPWRKVDGPL,UHFFFAOYSA,N,Archangin,ZTUJKPWRKVDGPL-UHFFFAOYSA-N
HMDB30617,300.063388116,C16H12O6,COC1=C(O)C=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3",FPIOBTBNRZPWJW,UHFFFAOYSA,N,Pratensein,FPIOBTBNRZPWJW-UHFFFAOYSA-N
HMDB30618,338.115423686,C20H18O5,CC1C(C)C(=O)C2=C(C1C1=CC3=C(OCO3)C=C1)C1=C(OCO1)C=C2,"InChI=1S/C20H18O5/c1-10-11(2)19(21)13-4-6-15-20(25-9-23-15)18(13)17(10)12-3-5-14-16(7-12)24-8-22-14/h3-7,10-11,17H,8-9H2,1-2H3",ZTOORMQTJNUZOQ,UHFFFAOYSA,N,Otobanone,ZTOORMQTJNUZOQ-UHFFFAOYSA-N
HMDB30619,338.07903818,C19H14O6,COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C1=CC2=C(OCO2)C=C1,"InChI=1S/C19H14O6/c1-22-19-12(3-5-16-13(19)6-7-23-16)15(21)9-14(20)11-2-4-17-18(8-11)25-10-24-17/h2-8H,9-10H2,1H3",SDJBCBKWKASUCJ,UHFFFAOYSA,N,Ovalitenone,SDJBCBKWKASUCJ-UHFFFAOYSA-N
HMDB30620,438.167853186,C25H26O7,CC(C)(O)CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C25H26O7/c1-24(2,30)9-7-16-21(29)20-18(28)12-19-15(8-10-25(3,4)32-19)23(20)31-22(16)14-6-5-13(26)11-17(14)27/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3",AFOKZNPZDXHDHD,UHFFFAOYSA,N,Morusinol,AFOKZNPZDXHDHD-UHFFFAOYSA-N
HMDB30621,384.120902994,C21H20O7,COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C1=C(OC(C3)C(C)(C)O)C=C(O)C=C1,"InChI=1S/C21H20O7/c1-21(2,25)17-9-13-19(24)18-14(23)7-11(26-3)8-16(18)28-20(13)12-5-4-10(22)6-15(12)27-17/h4-8,17,22-23,25H,9H2,1-3H3",CLBXZXANZHXYLN,UHFFFAOYSA,N,Oxyisocyclointegrin,CLBXZXANZHXYLN-UHFFFAOYSA-N
HMDB30622,286.084123558,C16H14O5,CC1(C)OC1COC1=C2C=CC(=O)OC2=CC2=C1C=CO2,"InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3",QTAGQHZOLRFCBU,UHFFFAOYSA,N,(R)-Oxypeucedanin,QTAGQHZOLRFCBU-UHFFFAOYSA-N
HMDB30623,552.293447628,C29H44O10,CC1OC(OC2CCC3(C)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O,"InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3",WRORFDCUNLGVJF,UHFFFAOYSA,N,Bipindogulomethyloside,WRORFDCUNLGVJF-UHFFFAOYSA-N
HMDB30624,480.090390726,C21H20O13,OCC1OC(OC2=C(O)C(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2",IDTDRZPBDLMCLB,UHFFFAOYSA,N,Quercetagitrin,IDTDRZPBDLMCLB-UHFFFAOYSA-N
HMDB30625,614.05439915,C27H18O17,OCC(O)C1OC2C(OC(=O)C3=C2C(O)=C(O)C(O)=C3C2=C3C(=O)OC4=C(O)C(O)=CC5=C4C3=C(OC5=O)C(O)=C2O)C1O,"InChI=1S/C27H18O17/c28-2-5(30)20-19(37)24-23(41-20)12-11(27(40)44-24)8(14(32)17(35)16(12)34)7-10-9-6-3(25(38)42-22(9)18(36)15(7)33)1-4(29)13(31)21(6)43-26(10)39/h1,5,19-20,23-24,28-37H,2H2",ORHDVCFHUVVLAU,UHFFFAOYSA,N,Castacrenin A,ORHDVCFHUVVLAU-UHFFFAOYSA-N
HMDB30626,614.05439915,C27H18O17,OCC1OC2C(OC(=O)C3=C2C(O)=C(O)C(O)=C3C2=C3C(=O)OC4=C(O)C(O)=CC5=C4C3=C(OC5=O)C(O)=C2O)C(O)C1O,"InChI=1S/C27H18O17/c28-2-5-14(31)19(36)24-23(41-5)12-11(27(40)44-24)8(15(32)18(35)17(12)34)7-10-9-6-3(25(38)42-22(9)20(37)16(7)33)1-4(29)13(30)21(6)43-26(10)39/h1,5,14,19,23-24,28-37H,2H2",JTTVTHBGPVZKHW,UHFFFAOYSA,N,Castacrenin B,JTTVTHBGPVZKHW-UHFFFAOYSA-N
HMDB30627,650.221070546,C31H38O15,COC1=CC(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)=C2C(=O)C(=COC2=C1C)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C31H38O15/c1-12-17(40-4)9-19(21-23(34)15(11-42-28(12)21)14-6-7-16(39-3)18(8-14)41-5)44-31-29(26(37)24(35)20(10-32)45-31)46-30-27(38)25(36)22(33)13(2)43-30/h6-9,11,13,20,22,24-27,29-33,35-38H,10H2,1-5H3",HBIBVIWVUMZFQY,UHFFFAOYSA,N,"5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside",HBIBVIWVUMZFQY-UHFFFAOYSA-N
HMDB30628,406.178023942,C25H26O5,CC(C)=CCC\C(C)=C\CC1=C(OC2=C(C=CC(O)=C2)C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-10-21-24(29)20-12-9-18(27)14-23(20)30-25(21)19-11-8-17(26)13-22(19)28/h5,7-9,11-14,26-28H,4,6,10H2,1-3H3/b16-7+",VEQHJLTWOODSMA,FRKPEAEDSA,N,Rubraflavone A,VEQHJLTWOODSMA-FRKPEAEDSA-N
HMDB30629,474.240624198,C30H34O5,CC(C)=CCC\C(C)=C\CC1=C(OC2=C(C=CC(O)=C2CC=C(C)C)C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C30H34O5/c1-18(2)7-6-8-20(5)10-13-24-28(34)25-15-16-26(32)22(12-9-19(3)4)29(25)35-30(24)23-14-11-21(31)17-27(23)33/h7,9-11,14-17,31-33H,6,8,12-13H2,1-5H3/b20-10+",HCSUUBNHCMBDJW,KEBDBYFISA,N,Rubraflavone B,HCSUUBNHCMBDJW-KEBDBYFISA-N
HMDB30630,490.23553882,C30H34O6,CC(C)=CCC\C(C)=C\CC1=C(OC2=C(C(O)=C(CC=C(C)C)C(O)=C2)C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-13-23-29(35)27-26(16-25(33)21(28(27)34)12-9-18(3)4)36-30(23)22-14-11-20(31)15-24(22)32/h7,9-11,14-16,31-34H,6,8,12-13H2,1-5H3/b19-10+",RHAIJKNXAULKGF,VXLYETTFSA,N,Rubraflavone C,RHAIJKNXAULKGF-VXLYETTFSA-N
HMDB30631,488.219888756,C30H32O6,CC(C)=CCC\C(C)=C/CC1=C(OC2=C(C(O)=C3C=CC(C)(C)OC3=C2)C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C30H32O6/c1-17(2)7-6-8-18(3)9-11-22-28(34)26-25(35-29(22)20-12-10-19(31)15-23(20)32)16-24-21(27(26)33)13-14-30(4,5)36-24/h7,9-10,12-16,31-33H,6,8,11H2,1-5H3/b18-9-",SKCPIJZMAFLOJW,NVMNQCDNSA,N,Rubraflavone D,SKCPIJZMAFLOJW-NVMNQCDNSA-N
HMDB30632,936.086881068,C41H28O26,OC1C2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C(O)C(O)=C(O)C=C1C(=O)OC2C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C(=C2)C(=O)OCC1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C41H28O26/c42-12-1-7(2-13(43)24(12)48)37(58)64-16-6-63-38(59)11-3-8(22(46)32(56)23(11)47)17-9(4-14(44)25(49)27(17)51)39(60)65-34(16)36-35-31(55)21-20(41(62)66-35)19(29(53)33(57)30(21)54)18-10(40(61)67-36)5-15(45)26(50)28(18)52/h1-5,16,31,34-36,42-57H,6H2",PQTNAAUWLBNDQZ,UHFFFAOYSA,N,Casuarinin,PQTNAAUWLBNDQZ-UHFFFAOYSA-N
HMDB30633,614.05439915,C27H18O17,OCC(O)C(O)C(O)C1=CC2=C(C(=O)O1)C(=C(O)C(O)=C2O)C1=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC(C(O)=C1O)=C24,"InChI=1S/C27H18O17/c28-3-7(30)16(32)18(34)8-2-4-10(26(40)42-8)11(19(35)21(37)15(4)31)12-14-13-9-5(25(39)43-24(13)22(38)20(12)36)1-6(29)17(33)23(9)44-27(14)41/h1-2,7,16,18,28-38H,3H2",AQPVDJOZILVCEZ,UHFFFAOYSA,N,Castacrenin C,AQPVDJOZILVCEZ-UHFFFAOYSA-N
HMDB30634,274.084123558,C15H14O5,COC1=C2OC3=CC=CC=C3C2=C(OC)C(OC)=C1O,"InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)11(16)14(12)18-2/h4-7,16H,1-3H3",XLCIGBDZQKRLPH,UHFFFAOYSA,N,beta-Pyrufuran,XLCIGBDZQKRLPH-UHFFFAOYSA-N
HMDB30635,274.084123558,C15H14O5,COC1=C2OC3=CC=CC=C3C2=C(OC)C(O)=C1OC,"InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)14(18-2)11(12)16/h4-7,16H,1-3H3",LZNMTWGKSPOPIR,UHFFFAOYSA,N,alpha-Pyrufuran,LZNMTWGKSPOPIR-UHFFFAOYSA-N
HMDB30636,244.109944378,C15H16O3,COC1=CC(CCC2=CC(O)=CC=C2)=CC(O)=C1,"InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3",VYQXIUVIYICVCM,UHFFFAOYSA,N,Batatasin III,VYQXIUVIYICVCM-UHFFFAOYSA-N
HMDB30637,216.042258738,C12H8O4,COC1=C2C=CC(=O)OC2=CC2=C1C=CO2,"InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3",BGEBZHIAGXMEMV,UHFFFAOYSA,N,Bergapten,BGEBZHIAGXMEMV-UHFFFAOYSA-N
HMDB30639,271.120843415,C16H17NO3,COC1=CC=C(C=C1)C(O)CNC(=O)C1=CC=CC=C1,"InChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(18)11-17-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)",NICURWGAEFHESQ,UHFFFAOYSA,N,(±)-Tembamide,NICURWGAEFHESQ-UHFFFAOYSA-N
HMDB30640,532.121690854,C25H24O13,COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(COC(=O)CC(O)=O)C(O)C(O)C3O)=CC(O)=C2C1=O,"InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)",VRCBYTZZZFFKEN,UHFFFAOYSA,N,Biochanin A 7-(6-malonylglucoside),VRCBYTZZZFFKEN-UHFFFAOYSA-N
HMDB30641,546.137340918,C26H26O13,COC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(OC)C=C3)=C2)C(O)C(O)C1O,"InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-17-8-14(7-16(27)21(17)22(15)30)38-26-25(33)24(32)23(31)18(39-26)11-37-20(29)9-19(28)35-2/h3-8,10,18,23-27,31-33H,9,11H2,1-2H3",QYBKKYHYZHUTOL,UHFFFAOYSA,N,Biochanin A 7-(6-methylmalonylglucoside),QYBKKYHYZHUTOL-UHFFFAOYSA-N
HMDB30642,746.142426296,C44H26O12,CC1=CC(O)=C2C(=O)C=CC(=O)C2=C1C1=C(C)C=C2C(=O)C=C(C(=O)C2=C1O)C1=CC(=O)C2=CC(C)=C(C(O)=C2C1=O)C1=C2C(=O)C=CC(=O)C2=C(O)C=C1C,"InChI=1S/C44H26O12/c1-15-9-21-27(49)13-19(41(53)35(21)43(55)33(15)31-17(3)11-29(51)37-23(45)5-7-25(47)39(31)37)20-14-28(50)22-10-16(2)34(44(56)36(22)42(20)54)32-18(4)12-30(52)38-24(46)6-8-26(48)40(32)38/h5-14,51-52,55-56H,1-4H3",HIBRRCAYIWFCBY,UHFFFAOYSA,N,Bisisodiospyrin,HIBRRCAYIWFCBY-UHFFFAOYSA-N
HMDB30643,330.037567296,C16H10O8,CC1(O)C(=O)C2=C(O)C(=CC(O)=C2C2=C1C(=O)C=CC2=O)C(O)=O,"InChI=1S/C16H10O8/c1-16(24)12-7(18)3-2-6(17)10(12)9-8(19)4-5(15(22)23)13(20)11(9)14(16)21/h2-4,19-20,24H,1H3,(H,22,23)",YFUQJMOETZJFHO,UHFFFAOYSA,N,Blighinone,YFUQJMOETZJFHO-UHFFFAOYSA-N
HMDB30644,204.187800768,C15H24,CC(C)C1CCC(C)=C2CCC(C)=CC12,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3",FUCYIEXQVQJBKY,UHFFFAOYSA,N,delta-Amorphene,FUCYIEXQVQJBKY-UHFFFAOYSA-N
HMDB30645,328.167459256,C20H24O4,CC(C)C1=CC2=C(C(=O)C1=O)C(CCC(=O)C(C)(C)O)=C(C)C=C2,"InChI=1S/C20H24O4/c1-11(2)15-10-13-7-6-12(3)14(17(13)19(23)18(15)22)8-9-16(21)20(4,5)24/h6-7,10-11,24H,8-9H2,1-5H3",VDYQVYQVQLEJQY,UHFFFAOYSA,N,Sclareapinone,VDYQVYQVQLEJQY-UHFFFAOYSA-N
HMDB30646,200.083729628,C13H12O2,CC\C=C/C1=CC2=CC=CC=C2C(=O)O1,"InChI=1S/C13H12O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h3-9H,2H2,1H3/b7-3-",DHKBMMCQVXFEJY,CLTKARDFSA,N,(Z)-3-(1-Butenyl)-1H-2-benzopyran-1-one,DHKBMMCQVXFEJY-CLTKARDFSA-N
HMDB30647,216.07864425,C13H12O3,CC\C=C/C1=CC2=C(C=CC=C2O)C(=O)O1,"InChI=1S/C13H12O3/c1-2-3-5-9-8-11-10(13(15)16-9)6-4-7-12(11)14/h3-8,14H,2H2,1H3/b5-3-",QBZHMYUXUVZDQT,HYXAFXHYSA,N,Artemidinol,QBZHMYUXUVZDQT-HYXAFXHYSA-N
HMDB30648,234.089208936,C13H14O4,CCC(O)C(O)C1=CC2=CC=CC=C2C(=O)O1,"InChI=1S/C13H14O4/c1-2-10(14)12(15)11-7-8-5-3-4-6-9(8)13(16)17-11/h3-7,10,12,14-15H,2H2,1H3",CRXSSRPVDGICML,UHFFFAOYSA,N,Artemidiol,CRXSSRPVDGICML-UHFFFAOYSA-N
HMDB30649,374.172938564,C21H26O6,CCCC(=O)C1=C2OC(C)(C)C(O)CC2=C(O)C2=C1OC(=O)C=C2CCC,"InChI=1S/C21H26O6/c1-5-7-11-9-15(24)26-20-16(11)18(25)12-10-14(23)21(3,4)27-19(12)17(20)13(22)8-6-2/h9,14,23,25H,5-8,10H2,1-4H3",JKOPHYFSGRCMOF,UHFFFAOYSA,N,Mammea B/BC cyclo E,JKOPHYFSGRCMOF-UHFFFAOYSA-N
HMDB30650,374.172938564,C21H26O6,CCCC(=O)C1=C2OC(CC2=C2OC(=O)C=C(CCC)C2=C1O)C(C)(C)O,"InChI=1S/C21H26O6/c1-5-7-11-9-15(23)27-19-12-10-14(21(3,4)25)26-20(12)17(13(22)8-6-2)18(24)16(11)19/h9,14,24-25H,5-8,10H2,1-4H3",AHRWRZGWPYCGMI,UHFFFAOYSA,N,"8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one",AHRWRZGWPYCGMI-UHFFFAOYSA-N
HMDB30651,334.10525293,C17H18O7,COC1=C2C=CC(=O)OC2=C(OCC(O)C(C)(C)O)C2=C1C=CO2,"InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3",PKRPFNXROFUNDE,UHFFFAOYSA,N,Mukurozidiol,PKRPFNXROFUNDE-UHFFFAOYSA-N
HMDB30652,354.095082174,C16H18O9,OC1CC(CC(O)C1O)(OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2-",GWTUHAXUUFROTF,RQOWECAXSA,N,1-O-Caffeoylquinic acid,GWTUHAXUUFROTF-RQOWECAXSA-N
HMDB30653,354.095082174,C16H18O9,O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",GYFFKZTYYAFCTR,JUHZACGLSA,N,Cryptochlorogenic acid,GYFFKZTYYAFCTR-JUHZACGLSA-N
HMDB30654,336.084517488,C16H16O8,OC1C=C(CC(OC(=O)\C=C/C2=CC(O)=C(O)C=C2)C1O)C(O)=O,"InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2-",QMPHZIPNNJOWQI,RQOWECAXSA,N,3-O-Caffeoylshikimic acid,QMPHZIPNNJOWQI-RQOWECAXSA-N
HMDB30655,392.162373878,C24H24O5,COC1=C(CC=C(C)C)C2=C(OC3=C(C(O)=C4C=CC(C)(C)OC4=C3)C2=O)C=C1,"InChI=1S/C24H24O5/c1-13(2)6-7-14-16(27-5)8-9-17-20(14)23(26)21-19(28-17)12-18-15(22(21)25)10-11-24(3,4)29-18/h6,8-12,25H,7H2,1-5H3",PLKQPRRVFTZBAE,UHFFFAOYSA,N,Calabaxanthone,PLKQPRRVFTZBAE-UHFFFAOYSA-N
HMDB30656,378.146723814,C23H22O5,CC(C)=CCC1=C(O)C=CC2=C1C(=O)C1=C(O2)C=C2OC(C)(C)C=CC2=C1O,"InChI=1S/C23H22O5/c1-12(2)5-6-13-15(24)7-8-16-19(13)22(26)20-18(27-16)11-17-14(21(20)25)9-10-23(3,4)28-17/h5,7-11,24-25H,6H2,1-4H3",SDKLJUCURHMDBQ,UHFFFAOYSA,N,Demethylcalabaxanthone,SDKLJUCURHMDBQ-UHFFFAOYSA-N
HMDB30657,378.167853186,C20H26O7,COC1=C(O)C=CC(CC(CO)C(O)(CO)CC2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C20H26O7/c1-26-18-8-13(3-5-16(18)23)7-15(11-21)20(25,12-22)10-14-4-6-17(24)19(9-14)27-2/h3-6,8-9,15,21-25H,7,10-12H2,1-2H3",INPPVVSEQRZCLJ,UHFFFAOYSA,N,Carinol,INPPVVSEQRZCLJ-UHFFFAOYSA-N
HMDB30658,492.090390726,C22H20O13,CC1=C2C(=O)C3=C(C(O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O,"InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)",DGQLVPJVXFOQEV,UHFFFAOYSA,N,Carmine red,DGQLVPJVXFOQEV-UHFFFAOYSA-N
HMDB30659,300.063388116,C16H12O6,COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(O)C=C2O,"InChI=1S/C16H12O6/c1-21-9-4-2-8(3-5-9)13-7-11(18)14-10(17)6-12(19)15(20)16(14)22-13/h2-7,17,19-20H,1H3",FIYPYRNWAKRRIU,UHFFFAOYSA,N,Takakin,FIYPYRNWAKRRIU-UHFFFAOYSA-N
HMDB30660,374.100167552,C19H18O8,COC1=C(O)C=C(C=C1)C1=C(OC)C(=O)C2=C(O)C(OC)=C(OC)C=C2O1,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3",PJQLSMYMOKWUJG,UHFFFAOYSA,N,Casticin,PJQLSMYMOKWUJG-UHFFFAOYSA-N
HMDB30661,442.089996796,C22H18O10,OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2",LSHVYAFMTMFKBA,UHFFFAOYSA,N,3-Galloylcatechin,LSHVYAFMTMFKBA-UHFFFAOYSA-N
HMDB30662,304.094688244,C16H16O6,COC1=C(O)C=C(C=C1)C1OC2=CC(O)=CC(O)=C2CC1O,"InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3",ZHDMPVIDHWJGTN,UHFFFAOYSA,N,4'-O-Methylcatechin,ZHDMPVIDHWJGTN-UHFFFAOYSA-N
HMDB30663,318.110338308,C17H18O6,COC1=CC(O)=C2CC(O)C(OC2=C1)C1=CC(O)=C(OC)C=C1,"InChI=1S/C17H18O6/c1-21-10-6-12(18)11-8-14(20)17(23-16(11)7-10)9-3-4-15(22-2)13(19)5-9/h3-7,14,17-20H,8H2,1-2H3",MWTVZZZJXLZCEN,UHFFFAOYSA,N,"4',7-Di-O-methylcatechin",MWTVZZZJXLZCEN-UHFFFAOYSA-N
HMDB30664,332.125988372,C18H20O6,COC1=CC(OC)=C2CC(O)C(OC2=C1)C1=CC(O)=C(OC)C=C1,"InChI=1S/C18H20O6/c1-21-11-7-16(23-3)12-9-14(20)18(24-17(12)8-11)10-4-5-15(22-2)13(19)6-10/h4-8,14,18-20H,9H2,1-3H3",WCBCDLSKTYUDDL,UHFFFAOYSA,N,"3,3'-Dihydroxy-4',5,7-trimethoxyflavan",WCBCDLSKTYUDDL-UHFFFAOYSA-N
HMDB30665,594.100955412,C29H22O14,OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC(O)=C(O)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1,"InChI=1S/C29H22O14/c30-14-8-22-15(23(9-14)42-28(39)12-4-18(33)25(37)19(34)5-12)10-24(27(41-22)11-1-2-16(31)17(32)3-11)43-29(40)13-6-20(35)26(38)21(36)7-13/h1-9,24,27,30-38H,10H2",RHDJFGKNTUPFEZ,UHFFFAOYSA,N,"3,5-Digalloylepicatechin",RHDJFGKNTUPFEZ-UHFFFAOYSA-N
HMDB30666,356.162373878,C21H24O5,CC(=O)OC(C)(C)C1CC2=CC3=C(OC(=O)C(=C3)C(C)(C)C=C)C=C2O1,"InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3",AWMHMGFGCLBSAY,UHFFFAOYSA,N,Chalepin acetate,AWMHMGFGCLBSAY-UHFFFAOYSA-N
HMDB30667,300.063388116,C16H12O6,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3",SCZVLDHREVKTSH,UHFFFAOYSA,N,Chrysoeriol,SCZVLDHREVKTSH-UHFFFAOYSA-N
HMDB30668,252.099773622,C13H16O5,COC1=CC(OC)=C(C(=O)CC(C)=O)C(OC)=C1,"InChI=1S/C13H16O5/c1-8(14)5-10(15)13-11(17-3)6-9(16-2)7-12(13)18-4/h6-7H,5H2,1-4H3",ZYRBXTNFHYZHSK,UHFFFAOYSA,N,"1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione",ZYRBXTNFHYZHSK-UHFFFAOYSA-N
HMDB30669,368.110732238,C17H20O9,COC1=C(O)C=C(\C=C/C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)C=C1,"InChI=1S/C17H20O9/c1-25-12-4-2-9(6-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3-",ZHBZPCLRULAFBL,HYXAFXHYSA,N,3-O-Feruloylquinic acid,ZHBZPCLRULAFBL-HYXAFXHYSA-N
HMDB30670,254.057908808,C15H10O4,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O,"InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3",LQGUBLBATBMXHT,UHFFFAOYSA,N,Chrysophanol,LQGUBLBATBMXHT-UHFFFAOYSA-N
HMDB30671,416.110732238,C21H20O9,CC1=CC2=C(C(=O)C3=C(C=CC=C3O)C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3",QKPDYSSHOSPOKH,UHFFFAOYSA,N,Pulmatin,QKPDYSSHOSPOKH-UHFFFAOYSA-N
HMDB30672,240.115029756,C16H16O2,COC1=C(C\C=C\C2=CC=CC=C2)C=CC(O)=C1,"InChI=1S/C16H16O2/c1-18-16-12-15(17)11-10-14(16)9-5-8-13-6-3-2-4-7-13/h2-8,10-12,17H,9H2,1H3/b8-5+",ZAGLUIIUOWEVEN,VMPITWQZSA,N,Obtustyrene,ZAGLUIIUOWEVEN-VMPITWQZSA-N
HMDB30673,204.187800768,C15H24,CC(C)C1CCC(C)C2CC=C(C)C=C12,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,9-10,12-14H,6-8H2,1-4H3",JOCWPECWTZZSSX,UHFFFAOYSA,N,"(-)-3,5-Cadinadiene",JOCWPECWTZZSSX-UHFFFAOYSA-N
HMDB30674,426.386166222,C30H50O,CC(C)C(\C)=C\CC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C,"InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h8,19,21-26,31H,9-18H2,1-7H3/b20-8+",PAIRQWYDVRILJI,DNTJNYDQSA,N,"(3beta,4alpha,5alpha,23E)-4,14-Dimethyl-9,19-cycloergost-23-en-3-ol",PAIRQWYDVRILJI-DNTJNYDQSA-N
HMDB30677,164.047344122,C9H8O3,OC(=O)\C=C/C1=CC=C(O)C=C1,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3-",NGSWKAQJJWESNS,UTCJRWHESA,N,cis-p-Coumaric acid,NGSWKAQJJWESNS-UTCJRWHESA-N
HMDB30678,340.115817616,C16H20O8,COC(=O)\C=C\C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C16H20O8/c1-22-12(18)7-4-9-2-5-10(6-3-9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-4+",KPYQJVYNSWDFQU,QPJJXVBHSA,N,Linocinnamarin,KPYQJVYNSWDFQU-QPJJXVBHSA-N
HMDB30679,312.099773622,C18H16O5,COC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C18H16O5/c1-20-12-5-6-13-16(9-12)23-10-14(18(13)19)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3",UKWLNMIPRJLYGH,UHFFFAOYSA,N,Cabreuvin,UKWLNMIPRJLYGH-UHFFFAOYSA-N
HMDB30680,224.104859,C12H16O4,CCC1CCC2=C(C1O)C(=O)C(CO)=CO2,"InChI=1S/C12H16O4/c1-2-7-3-4-9-10(11(7)14)12(15)8(5-13)6-16-9/h6-7,11,13-14H,2-5H2,1H3",BFQQKLXDPGTJKC,UHFFFAOYSA,N,Diplosporin,BFQQKLXDPGTJKC-UHFFFAOYSA-N
HMDB30681,208.109944378,C12H16O3,CCC1CCC2=C(C1)C(=O)C(CO)=CO2,"InChI=1S/C12H16O3/c1-2-8-3-4-11-10(5-8)12(14)9(6-13)7-15-11/h7-8,13H,2-6H2,1H3",CVHITWPBDVBDIQ,UHFFFAOYSA,N,5-Deoxydiplosporin,CVHITWPBDVBDIQ-UHFFFAOYSA-N
HMDB30682,356.125988372,C20H20O6,OC1OCC(CC2=CC3=C(OCO3)C=C2)C1CC1=CC2=C(OCO2)C=C1,"InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2",DIYWRNLYKJKHAM,UHFFFAOYSA,N,Cubebin,DIYWRNLYKJKHAM-UHFFFAOYSA-N
HMDB30684,449.108386514,C21H21O11,OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1",RKWHWFONKJEUEF,GQUPQBGVSA,O,Cyanidin 3-glucoside,RKWHWFONKJEUEF-GQUPQBGVSA-O
HMDB30685,502.199153314,C30H30O7,CC(C)=CCC1=C2OC(C)(C)C=CC2=C(O)C2=C1OC1=C(C(OC3=C1C=C(O)C(O)=C3)C=C(C)C)C2=O,"InChI=1S/C30H30O7/c1-14(2)7-8-17-27-16(9-10-30(5,6)37-27)25(33)24-26(34)23-22(11-15(3)4)35-21-13-20(32)19(31)12-18(21)29(23)36-28(17)24/h7,9-13,22,31-33H,8H2,1-6H3",ZZPIXEJZTXAVCX,UHFFFAOYSA,N,Cycloheterophyllin,ZZPIXEJZTXAVCX-UHFFFAOYSA-N
HMDB30686,368.125988372,C21H20O6,COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C1=C(OC(C)(C)CC3)C=C(O)C=C1,"InChI=1S/C21H20O6/c1-21(2)7-6-14-19(24)18-15(23)9-12(25-3)10-17(18)26-20(14)13-5-4-11(22)8-16(13)27-21/h4-5,8-10,22-23H,6-7H2,1-3H3",LRBWGBCDUCRXLG,UHFFFAOYSA,N,Cyclointegrin,LRBWGBCDUCRXLG-UHFFFAOYSA-N
HMDB30687,418.141638436,C25H22O6,CC(C)=CC1OC2=C(C=CC(O)=C2)C2=C1C(=O)C1=C(O2)C2=C(OC(C)(C)C=C2)C=C1O,"InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3",GDQXJMLXEYSICD,UHFFFAOYSA,N,Cyclomorusin,GDQXJMLXEYSICD-UHFFFAOYSA-N
HMDB30688,420.1572885,C25H24O6,CC(C)=CCC1=C2OC3=C(C(OC4=C3C=CC(O)=C4)C=C(C)C)C(=O)C2=C(O)C=C1O,"InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-18(28)21-23(29)22-20(9-13(3)4)30-19-10-14(26)6-8-16(19)25(22)31-24(15)21/h5-6,8-11,20,26-28H,7H2,1-4H3",SYFDWXWLRGHYAJ,UHFFFAOYSA,N,Cyclomulberrin,SYFDWXWLRGHYAJ-UHFFFAOYSA-N
HMDB30689,458.121296908,C23H22O10,CC(=O)OCC1OC(OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C23H22O10/c1-11(24)30-10-18-20(27)21(28)22(29)23(33-18)32-14-6-7-15-17(8-14)31-9-16(19(15)26)12-2-4-13(25)5-3-12/h2-9,18,20-23,25,27-29H,10H2,1H3",ZMOZJTDOTOZVRT,UHFFFAOYSA,N,6''-O-Acetyldaidzin,ZMOZJTDOTOZVRT-UHFFFAOYSA-N
HMDB30690,260.104859,C15H16O4,COC1=CC2=C(C=CC(=O)O2)C=C1\C=C\C(C)(C)O,"InChI=1S/C15H16O4/c1-15(2,17)7-6-11-8-10-4-5-14(16)19-13(10)9-12(11)18-3/h4-9,17H,1-3H3/b7-6+",LNFVZUMSDAIQDQ,VOTSOKGWSA,N,(E)-Suberenol,LNFVZUMSDAIQDQ-VOTSOKGWSA-N
HMDB30691,262.120509064,C15H18O4,COC1=CC2=C(C=CC(=O)O2)C=C1CCC(C)(C)O,"InChI=1S/C15H18O4/c1-15(2,17)7-6-11-8-10-4-5-14(16)19-13(10)9-12(11)18-3/h4-5,8-9,17H,6-7H2,1-3H3",YCIWLTLAWPAWSP,UHFFFAOYSA,N,Dihydrosuberenol,YCIWLTLAWPAWSP-UHFFFAOYSA-N
HMDB30692,192.042258744,C10H8O4,COC1=C(O)C2=C(C=CC(=O)O2)C=C1,"InChI=1S/C10H8O4/c1-13-7-4-2-6-3-5-8(11)14-10(6)9(7)12/h2-5,12H,1H3",KIGCGZUAVODHMD,UHFFFAOYSA,N,8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one,KIGCGZUAVODHMD-UHFFFAOYSA-N
HMDB30693,627.156124566,C27H31O17,OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",XCTGXGVGJYACEI,LCENJUANSA,O,"Delphinidin 3,5-diglucoside",XCTGXGVGJYACEI-LCENJUANSA-O
HMDB30694,284.104859,C17H16O4,CC1=C(O)C(C)=C2OC(CC(=O)C2=C1O)C1=CC=CC=C1,"InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3",HAIHGFWQOPJMPV,UHFFFAOYSA,N,"(S)-5,7-Dihydroxy-6,8-dimethylflavanone",HAIHGFWQOPJMPV-UHFFFAOYSA-N
HMDB30695,298.120509064,C18H18O4,COC1=C2C(=O)CC(OC2=C(C)C(O)=C1C)C1=CC=CC=C1,"InChI=1S/C18H18O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-8,14,20H,9H2,1-3H3",QKZDDOUPWXQRIK,UHFFFAOYSA,N,"7-Hydroxy-5-methoxy-6,8-dimethylflavanone",QKZDDOUPWXQRIK-UHFFFAOYSA-N
HMDB30696,330.073952802,C17H14O7,COC1=C(O)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1,"InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)17(23-2)14(16)21/h3-7,18,20-21H,1-2H3",SYGUVOLSUJYPPS,UHFFFAOYSA,N,Demethoxysudachitin,SYGUVOLSUJYPPS-UHFFFAOYSA-N
HMDB30697,275.100501903,C11H17NO7,OCC1OC(OC\C=C(/CO)C#N)C(O)C(O)C1O,"InChI=1S/C11H17NO7/c12-3-6(4-13)1-2-18-11-10(17)9(16)8(15)7(5-14)19-11/h1,7-11,13-17H,2,4-5H2/b6-1-",FWAYDNJCBHNWQD,BHQIHCQQSA,N,Sarmentosin,FWAYDNJCBHNWQD-BHQIHCQQSA-N
HMDB30698,282.089208936,C17H14O4,COC1=CC(OC)=C2C(=O)C(=COC2=C1)C1=CC=CC=C1,"InChI=1S/C17H14O4/c1-19-12-8-14(20-2)16-15(9-12)21-10-13(17(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3",CDSSYLTXYXEANW,UHFFFAOYSA,N,"5,7-Dimethoxyisoflavone",CDSSYLTXYXEANW-UHFFFAOYSA-N
HMDB30699,254.057908808,C15H10O4,OC1=CC(O)=C2C(OC=C(C2=O)C2=CC=CC=C2)=C1,"InChI=1S/C15H10O4/c16-10-6-12(17)14-13(7-10)19-8-11(15(14)18)9-4-2-1-3-5-9/h1-8,16-17H",PJJGZPJJTHBVMX,UHFFFAOYSA,N,"5,7-Dihydroxyisoflavone",PJJGZPJJTHBVMX-UHFFFAOYSA-N
HMDB30700,396.1572885,C23H24O6,CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC3=C(O)C=CC(O)=C3C(=O)C2=C1O,"InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3",OJXQLGQIDIPMTE,UHFFFAOYSA,N,Gartanin,OJXQLGQIDIPMTE-UHFFFAOYSA-N
HMDB30701,380.162373878,C23H24O5,CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC3=C(C=CC=C3O)C(=O)C2=C1O,"InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3",GVQOVMKBYJKZSY,UHFFFAOYSA,N,8-Desoxygartanin,GVQOVMKBYJKZSY-UHFFFAOYSA-N
HMDB30702,432.323959896,C27H44O4,CC1C2C(CC3C4CC(O)C5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3",PZNPHSFXILSZTM,UHFFFAOYSA,N,Neochlorogenin,PZNPHSFXILSZTM-UHFFFAOYSA-N
HMDB30703,224.104859,C12H16O4,CC(C)CCC(=O)C1=C(O)C=C(C)OC1=O,"InChI=1S/C12H16O4/c1-7(2)4-5-9(13)11-10(14)6-8(3)16-12(11)15/h6-7,14H,4-5H2,1-3H3",AJFJTORMMHWKFW,UHFFFAOYSA,N,Dhelwangin,AJFJTORMMHWKFW-UHFFFAOYSA-N
HMDB30704,311.100501903,C14H17NO7,OCC1OC(OC(C#N)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2",NVLTYOJHPBMILU,UHFFFAOYSA,N,Taxiphyllin,NVLTYOJHPBMILU-UHFFFAOYSA-N
HMDB30705,516.126776232,C25H24O12,O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",UFCLZKMFXSILNL,PSEXTPKNSA,N,"3,4-Di-O-caffeoylquinic acid",UFCLZKMFXSILNL-PSEXTPKNSA-N
HMDB30706,516.126776232,C25H24O12,O[C@H]1[C@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C[C@@](O)(C[C@H]1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(=O)O,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",KRZBCHWVBQOTNZ,PSEXTPKNSA,N,"3,5-Di-O-caffeoylquinic acid",KRZBCHWVBQOTNZ-PSEXTPKNSA-N
HMDB30707,516.126776232,C25H24O12,O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@H]1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1",UFCLZKMFXSILNL,RVXRWRFUSA,N,"4,5-Di-O-caffeoylquinic acid",UFCLZKMFXSILNL-RVXRWRFUSA-N
HMDB30708,594.15847029,C27H30O15,OCC1OC(C(O)C(O)C1O)C1=C(O)C(C2OC(CO)C(O)C(O)C2O)=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1,"InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2",FIAAVMJLAGNUKW,UHFFFAOYSA,N,Vicenin 2,FIAAVMJLAGNUKW-UHFFFAOYSA-N
HMDB30709,358.141638436,C20H22O6,OCC(CC1=CC2=C(OCO2)C=C1)C(CO)CC1=CC2=C(OCO2)C=C1,"InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2",JKCVMTYNARDGET,UHFFFAOYSA,N,Dihydrocubebin,JKCVMTYNARDGET-UHFFFAOYSA-N
HMDB30710,422.172938564,C25H26O6,CC(C)CC(=O)C1=C2OC(CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O)C(C)(C)O,"InChI=1S/C25H26O6/c1-13(2)10-17(26)21-22(28)20-15(14-8-6-5-7-9-14)12-19(27)31-23(20)16-11-18(25(3,4)29)30-24(16)21/h5-9,12-13,18,28-29H,10-11H2,1-4H3",PTQKDRQFGLKODH,UHFFFAOYSA,N,Cyclomammeisin,PTQKDRQFGLKODH-UHFFFAOYSA-N
HMDB30711,388.188588628,C22H28O6,CCCC1=CC(=O)OC2=C(C(=O)CC(C)C)C(O)=C3CC(OC3=C12)C(C)(C)O,"InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3",TVYLJAPSHFFCMT,UHFFFAOYSA,N,Cyclomammein,TVYLJAPSHFFCMT-UHFFFAOYSA-N
HMDB30712,388.188588628,C22H28O6,CCCC1=CC(=O)OC2=C3CC(OC3=C(C(=O)CC(C)C)C(O)=C12)C(C)(C)O,"InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-20-13-10-15(22(4,5)26)27-21(13)18(19(25)17(12)20)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3",KYKWIMFWAYVDJI,UHFFFAOYSA,N,Furomammea G,KYKWIMFWAYVDJI-UHFFFAOYSA-N
HMDB30713,422.172938564,C25H26O6,CCC(C)C(=O)C1=C2OC(CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O)C(C)(C)O,"InChI=1S/C25H26O6/c1-5-13(2)21(27)20-22(28)19-15(14-9-7-6-8-10-14)12-18(26)31-23(19)16-11-17(25(3,4)29)30-24(16)20/h6-10,12-13,17,28-29H,5,11H2,1-4H3",AVIZABGQXBMRCJ,UHFFFAOYSA,N,Mammea A/AB cyclo F,AVIZABGQXBMRCJ-UHFFFAOYSA-N
HMDB30714,388.188588628,C22H28O6,CCCC1=CC(=O)OC2=C(C(=O)C(C)CC)C(O)=C3CC(OC3=C12)C(C)(C)O,"InChI=1S/C22H28O6/c1-6-8-12-9-15(23)28-21-16(12)20-13(10-14(27-20)22(4,5)26)19(25)17(21)18(24)11(3)7-2/h9,11,14,25-26H,6-8,10H2,1-5H3",YVCSPVUIXKMOLW,UHFFFAOYSA,N,Cycloneomammein,YVCSPVUIXKMOLW-UHFFFAOYSA-N
HMDB30715,388.188588628,C22H28O6,CCCC1=CC(=O)OC2=C3CC(OC3=C(C(=O)C(C)CC)C(O)=C12)C(C)(C)O,"InChI=1S/C22H28O6/c1-6-8-12-9-15(23)28-20-13-10-14(22(4,5)26)27-21(13)17(19(25)16(12)20)18(24)11(3)7-2/h9,11,14,25-26H,6-8,10H2,1-5H3",KTJYLXIAFCVVBF,UHFFFAOYSA,N,MAB 4,KTJYLXIAFCVVBF-UHFFFAOYSA-N
HMDB30716,354.146723814,C21H22O5,COC1=CC(\C=C/C)=CC2=C1OC(C2C)C1=CC(OC)=C2OCOC2=C1,"InChI=1S/C21H22O5/c1-5-6-13-7-15-12(2)19(26-20(15)16(8-13)22-3)14-9-17(23-4)21-18(10-14)24-11-25-21/h5-10,12,19H,11H2,1-4H3/b6-5-",UIWUAELYQAENKN,WAYWQWQTSA,N,"2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran",UIWUAELYQAENKN-WAYWQWQTSA-N
HMDB30717,302.115423686,C17H18O5,COC1=C(O)C(OC)=C(C=C1)C1COC2=CC(O)=CC=C2C1,"InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3",NUNFZNIXYWTZMW,UHFFFAOYSA,N,"(R)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan",NUNFZNIXYWTZMW-UHFFFAOYSA-N
HMDB30718,298.084123551,C17H14O5,COC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(O)C(OC)=C1,"InChI=1S/C17H14O5/c1-20-11-4-5-12-15(8-11)22-9-13(17(12)19)10-3-6-14(18)16(7-10)21-2/h3-9,18H,1-2H3",JSDXTLJPMLRQOB,UHFFFAOYSA,N,Sayanedin,JSDXTLJPMLRQOB-UHFFFAOYSA-N
HMDB30719,282.089208936,C17H14O4,COC1=C(OC)C2=C(OC(=CC2=O)C2=CC=CC=C2)C=C1,"InChI=1S/C17H14O4/c1-19-14-9-8-13-16(17(14)20-2)12(18)10-15(21-13)11-6-4-3-5-7-11/h3-10H,1-2H3",GHLJEZSMMHWXTR,UHFFFAOYSA,N,"5,6-Dimethoxyflavone",GHLJEZSMMHWXTR-UHFFFAOYSA-N
HMDB30720,268.073558872,C16H12O4,COC1=C(O)C=C2OC(=CC(=O)C2=C1)C1=CC=CC=C1,"InChI=1S/C16H12O4/c1-19-16-7-11-12(17)8-14(10-5-3-2-4-6-10)20-15(11)9-13(16)18/h2-9,18H,1H3",BJBKXYIIWYIZCX,UHFFFAOYSA,N,Trigraecum,BJBKXYIIWYIZCX-UHFFFAOYSA-N
HMDB30721,580.142820226,C26H28O15,OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC(O)=C(O)C=C1,"InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)16-20(35)15(25-22(37)17(32)11(31)6-39-25)19(34)14-10(30)4-12(40-24(14)16)7-1-2-8(28)9(29)3-7/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2",WYYFCTVKFALPQV,UHFFFAOYSA,N,Isocarlinoside,WYYFCTVKFALPQV-UHFFFAOYSA-N
HMDB30722,240.115029756,C16H16O2,COC1=CC(\C=C/C2=CC=CC=C2)=CC(OC)=C1,"InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8-",BIYGTLDPTJMNET,HJWRWDBZSA,N,"(E)-3,5-Dimethoxystilbene",BIYGTLDPTJMNET-HJWRWDBZSA-N
HMDB30723,228.042258744,C13H8O4,OC1=CC=CC2=C1OC1=CC=CC(O)=C1C2=O,"InChI=1S/C13H8O4/c14-8-4-2-6-10-11(8)12(16)7-3-1-5-9(15)13(7)17-10/h1-6,14-15H",APIPFXZYOMIJQG,UHFFFAOYSA,N,"1,5-Dihydroxyxanthone",APIPFXZYOMIJQG-UHFFFAOYSA-N
HMDB30724,228.042258744,C13H8O4,OC1=CC2=C(OC3=CC=CC(O)=C3C2=O)C=C1,"InChI=1S/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1-6,14-15H",KDXFPEKLLFWHMN,UHFFFAOYSA,N,Euxanthone,KDXFPEKLLFWHMN-UHFFFAOYSA-N
HMDB30725,222.089208936,C12H14O4,COC1=C(OC)C(CC=C)=CC2=C1OCO2,"InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3",LIKYNOPXHGPMIH,UHFFFAOYSA,N,Dillapiol,LIKYNOPXHGPMIH-UHFFFAOYSA-N
HMDB30726,195.053157781,C9H9NO4,COC1=CC=C2NC(=O)OC2=C1OC,"InChI=1S/C9H9NO4/c1-12-6-4-3-5-7(8(6)13-2)14-9(11)10-5/h3-4H,1-2H3,(H,10,11)",FODHHOASVRMOPW,UHFFFAOYSA,N,"2-Hydroxy-6,7-dimethoxybenzoxazole",FODHHOASVRMOPW-UHFFFAOYSA-N
HMDB30727,328.094688244,C18H16O6,COC1=CC=CC=C1C1CC(=O)C2=C(OC)C3=C(OCO3)C=C2O1,"InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3",IHPVFYLOGNNZLA,UHFFFAOYSA,N,Betagarin,IHPVFYLOGNNZLA-UHFFFAOYSA-N
HMDB30728,328.167459256,C20H24O4,COC1=C(O)C(CC=C(C)C)=CC2=C1OC(=O)C(=C2)C(C)(C)C=C,"InChI=1S/C20H24O4/c1-7-20(4,5)15-11-14-10-13(9-8-12(2)3)16(21)18(23-6)17(14)24-19(15)22/h7-8,10-11,21H,1,9H2,2-6H3",YQFOLGLNDZRLBW,UHFFFAOYSA,N,8-Methoxygravelliferone,YQFOLGLNDZRLBW-UHFFFAOYSA-N
HMDB30729,298.15689457,C19H22O3,CC(C)=CCC1=CC2=C(OC(=O)C(=C2)C(C)(C)C=C)C=C1O,"InChI=1S/C19H22O3/c1-6-19(4,5)15-10-14-9-13(8-7-12(2)3)16(20)11-17(14)22-18(15)21/h6-7,9-11,20H,1,8H2,2-5H3",HEPYYVMIJBDNIM,UHFFFAOYSA,N,Gravelliferone,HEPYYVMIJBDNIM-UHFFFAOYSA-N
HMDB30730,364.203844762,C24H28O3,CC(C)=CCC1=C2OC(=O)C(=CC2=CC2=C1OC(C)(C)C=C2)C(C)(C)C=C,"InChI=1S/C24H28O3/c1-8-23(4,5)19-14-17-13-16-11-12-24(6,7)27-21(16)18(10-9-15(2)3)20(17)26-22(19)25/h8-9,11-14H,1,10H2,2-7H3",PIOKBHKPGZHPHS,UHFFFAOYSA,N,"3-(1,1-Dimethyl-2-propenyl)-8-(3-methyl-2-butenyl)xanthyletin",PIOKBHKPGZHPHS-UHFFFAOYSA-N
HMDB30731,244.109944378,C15H16O3,COC1=CC2=C(C=C1)C=C(C(=O)O2)C(C)(C)C=C,"InChI=1S/C15H16O3/c1-5-15(2,3)12-8-10-6-7-11(17-4)9-13(10)18-14(12)16/h5-9H,1H2,2-4H3",BTXKAWICQLJRID,UHFFFAOYSA,N,"3-(1,1-Dimethylallyl)herniarin",BTXKAWICQLJRID-UHFFFAOYSA-N
HMDB30732,724.439777512,C39H64O12,CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3",DRHJMJVSLJEJHE,UHFFFAOYSA,N,Torvonin A,DRHJMJVSLJEJHE-UHFFFAOYSA-N
HMDB30733,1564.802486494,C76H124O33,CC1OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C(OC2OC(COC3OC(C)C(O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C1O,"InChI=1S/C76H124O33/c1-13-75(11,108-73-62(93)57(88)53(84)47(33-78)102-73)28-18-26-39(5)22-16-24-40(6)30-45(80)31-42(8)68(96)105-65-50(81)43(9)100-70(63(65)94)98-36-49-55(86)58(89)61(92)72(104-49)106-66-51(82)44(10)99-69(64(66)95)97-35-41(7)25-17-23-37(3)20-15-21-38(4)27-19-29-76(12,14-2)109-74-67(59(90)54(85)48(34-79)103-74)107-71-60(91)56(87)52(83)46(32-77)101-71/h13-14,20,24-27,31,43-67,69-74,77-95H,1-2,15-19,21-23,28-30,32-36H2,3-12H3/b37-20+,38-27+,39-26+,40-24+,41-25-,42-31+",PRLBTECIKSGMOX,PPZRNWIWSA,N,Capsianside B,PRLBTECIKSGMOX-PPZRNWIWSA-N
HMDB30734,560.241018128,C33H36O8,CC(C)=CCC1=C2OC34C5CC(C=C3C(=O)C2=C(O)C2=C1OC(C)(C)C=C2)C(=O)C4(C\C=C(\C)C(O)=O)OC5(C)C,"InChI=1S/C33H36O8/c1-16(2)8-9-20-26-19(11-12-30(4,5)39-26)24(34)23-25(35)21-14-18-15-22-31(6,7)41-32(28(18)36,13-10-17(3)29(37)38)33(21,22)40-27(20)23/h8,10-12,14,18,22,34H,9,13,15H2,1-7H3,(H,37,38)/b17-10-",COVMVPHACFXMAX,YVLHZVERSA,N,Isomorellic acid,COVMVPHACFXMAX-YVLHZVERSA-N
HMDB30735,354.146723814,C21H22O5,C\C(CCC(C)(C)C=O)=C/COC1=C2C=COC2=CC2=C1C=CC(=O)O2,"InChI=1S/C21H22O5/c1-14(6-9-21(2,3)13-22)7-10-25-20-15-4-5-19(23)26-18(15)12-17-16(20)8-11-24-17/h4-5,7-8,11-13H,6,9-10H2,1-3H3/b14-7+",JBBNVKWFZYFPIG,VGOFMYFVSA,N,Aurantiumal,JBBNVKWFZYFPIG-VGOFMYFVSA-N
HMDB30736,644.34079175,C32H52O13,C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C32H52O13/c1-6-32(5,15-9-13-19(3)11-7-10-18(2)12-8-14-20(4)29(40)41)45-31-28(26(38)24(36)22(17-34)43-31)44-30-27(39)25(37)23(35)21(16-33)42-30/h6,10,13-14,21-28,30-31,33-39H,1,7-9,11-12,15-17H2,2-5H3,(H,40,41)/b18-10+,19-13+,20-14+",JZULENLOKOXFRW,MZKRGWHTSA,N,Capsianoside IV,JZULENLOKOXFRW-MZKRGWHTSA-N
HMDB30737,514.277797564,C26H42O10,C\C(CC(O)\C=C(/C)C(O)=O)=C/CC\C(CO)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C26H42O10/c1-5-26(4,36-25-23(32)22(31)21(30)20(15-28)35-25)11-7-10-18(14-27)9-6-8-16(2)12-19(29)13-17(3)24(33)34/h5,8,10,13,19-23,25,27-32H,1,6-7,9,11-12,14-15H2,2-4H3,(H,33,34)/b16-8+,17-13+,18-10-",XQQKZIVFXGPJHN,KMRBWUSPSA,N,Capsianoside V,XQQKZIVFXGPJHN-KMRBWUSPSA-N
HMDB30738,1726.855309924,C82H134O38,CC1OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C(OC2OC(COC3OC(C)C(O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C1O,"InChI=1S/C82H134O38/c1-13-81(11,119-79-71(62(98)56(92)49(34-85)112-79)117-76-64(100)59(95)54(90)47(32-83)110-76)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-74-68(104)70(53(89)45(10)108-74)116-78-66(102)61(97)58(94)51(114-78)37-107-75-67(103)69(52(88)44(9)109-75)115-73(105)43(8)31-46(87)30-41(6)24-16-22-40(5)27-19-29-82(12,14-2)120-80-72(63(99)57(93)50(35-86)113-80)118-77-65(101)60(96)55(91)48(33-84)111-77/h13-14,20,24-27,31,44-72,74-80,83-104H,1-2,15-19,21-23,28-30,32-37H2,3-12H3/b38-20+,39-26+,40-27+,41-24+,42-25-,43-31+",BHQXDVVPOFDEHV,RPQRBYGFSA,N,Capsianoside D,BHQXDVVPOFDEHV-RPQRBYGFSA-N
HMDB30739,1710.860395302,C82H134O37,CC1OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C(OC2OC(COC3OC(C)C(O)C(OC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C1O,"InChI=1S/C82H134O37/c1-13-81(11,118-79-71(62(97)56(91)49(35-85)111-79)116-76-64(99)59(94)54(89)47(33-83)109-76)31-19-28-41(5)23-15-21-39(3)25-17-27-43(7)37-105-74-68(103)70(53(88)46(10)107-74)115-78-66(101)61(96)58(93)51(113-78)38-106-75-67(102)69(52(87)45(9)108-75)114-73(104)44(8)30-18-26-40(4)22-16-24-42(6)29-20-32-82(12,14-2)119-80-72(63(98)57(92)50(36-86)112-80)117-77-65(100)60(95)55(90)48(34-84)110-77/h13-14,21-22,27-30,45-72,74-80,83-103H,1-2,15-20,23-26,31-38H2,3-12H3/b39-21+,40-22+,41-28+,42-29+,43-27-,44-30+",XIQPUQZGYSYODK,JZKHGTLTSA,N,Capsianoside F,XIQPUQZGYSYODK-JZKHGTLTSA-N
HMDB30740,288.099773622,C16H16O5,COC1=CC(=O)OC(\C=C/C2=CC(OC)=C(OC)C=C2)=C1,"InChI=1S/C16H16O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-10H,1-3H3/b6-4-",GBJRDULCMRSYSL,XQRVVYSFSA,N,11-Methoxyyangonin,GBJRDULCMRSYSL-XQRVVYSFSA-N
HMDB30741,410.20932407,C25H30O5,CC(C)C1=C2C(=O)C3(C)CC(CCC=C(C)C)=CCC3C(=O)C2=C(C=O)C(O)=C1O,"InChI=1S/C25H30O5/c1-13(2)7-6-8-15-9-10-17-22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(30)25(17,5)11-15/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3",YCZAHJSVHOSXPX,UHFFFAOYSA,N,Heliocide H3,YCZAHJSVHOSXPX-UHFFFAOYSA-N
HMDB30742,320.125988372,C17H20O6,CCC1=C(C)C(O)=C(CC2=C(O)C(C)=C(CC)OC2=O)C(=O)O1,"InChI=1S/C17H20O6/c1-5-12-8(3)14(18)10(16(20)22-12)7-11-15(19)9(4)13(6-2)23-17(11)21/h18-19H,5-7H2,1-4H3",BYRZLWJKTOLLBX,UHFFFAOYSA,N,Helipyrone,BYRZLWJKTOLLBX-UHFFFAOYSA-N
HMDB30743,344.198759384,C21H28O4,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C=C(O)C1=O,"InChI=1S/C21H28O4/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17-20(24)18(22)13-19(23)21(17)25/h7,9,11,13,22,25H,5-6,8,10,12H2,1-4H3/b15-9+,16-11+",ADRVEZVEKSCRHP,XGGJEREUSA,N,"(E,E)-Boviquinone 3",ADRVEZVEKSCRHP-XGGJEREUSA-N
HMDB30744,274.084123558,C15H14O5,CC(C)C1=C2C(=O)C(C)=CC(=O)C2=C(C=O)C(O)=C1O,"InChI=1S/C15H14O5/c1-6(2)10-12-11(8(5-16)14(19)15(10)20)9(17)4-7(3)13(12)18/h4-6,19-20H,1-3H3",CERPPXZGSNEVMI,UHFFFAOYSA,N,Hemigossypolone,CERPPXZGSNEVMI-UHFFFAOYSA-N
HMDB30745,304.094688244,C16H16O6,CC(C)(O)C(O)COC1=C2OC(=O)C=CC2=CC2=C1OC=C2,"InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3",FOINLJRVEBYARJ,UHFFFAOYSA,N,(R)-Heraclenol,FOINLJRVEBYARJ-UHFFFAOYSA-N
HMDB30746,302.079038171,C16H14O6,COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",AIONOLUJZLIMTK,UHFFFAOYSA,N,"5,7,3'-Trihydroxy-4'-methoxyflavanone",AIONOLUJZLIMTK-UHFFFAOYSA-N
HMDB30747,464.13186161,C22H24O11,COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1,"InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3",ADSYMQORONDIDD,UHFFFAOYSA,N,Hesperetin 7-glucoside,ADSYMQORONDIDD-UHFFFAOYSA-N
HMDB30748,610.189770418,C28H34O15,COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1,"InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3",ARGKVCXINMKCAZ,UHFFFAOYSA,N,Hesperetin 7-neohesperidoside,ARGKVCXINMKCAZ-UHFFFAOYSA-N
HMDB30749,416.219888756,C24H32O6,COC1=CC(OC)=C(C=C1OC)C1C(C)C(C)C1C1=CC(OC)=C(OC)C=C1OC,"InChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3",WCERJEZPIONOJU,UHFFFAOYSA,N,Heterotropan,WCERJEZPIONOJU-UHFFFAOYSA-N
HMDB30750,722.475769088,C44H66O8,OC1=C(O)C=C(\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1,"InChI=1S/C44H66O8/c45-39-29-25-37(35-41(39)47)27-31-43(49)51-33-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-34-52-44(50)32-28-38-26-30-40(46)42(48)36-38/h25-32,35-36,45-48H,1-24,33-34H2/b31-27+,32-28+",MRSDYZWGUXOJBW,WWQQVGJXSA,N,"1,26-Dicaffeoylhexacosanediol",MRSDYZWGUXOJBW-WWQQVGJXSA-N
HMDB30751,750.507069216,C46H70O8,COC1=C(O)C=CC(\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C46H70O8/c1-51-43-37-39(27-31-41(43)47)29-33-45(49)53-35-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-36-54-46(50)34-30-40-28-32-42(48)44(38-40)52-2/h27-34,37-38,47-48H,3-26,35-36H2,1-2H3/b33-29+,34-30+",CWBAUBYZOXBMBF,BNRZXNFUSA,N,"1,26-Hexacosanediol diferulate",CWBAUBYZOXBMBF-BNRZXNFUSA-N
HMDB30752,192.07864425,C11H12O3,COC(=O)\C=C\C1=CC=C(OC)C=C1,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+",VEZIKIAGFYZTCI,VMPITWQZSA,N,Methyl trans-p-methoxycinnamate,VEZIKIAGFYZTCI-VMPITWQZSA-N
HMDB30753,328.058302738,C17H12O7,COC1=CC2=C(C3C=COC3O2)C2=C1C1=C(C(=O)CC1O)C(=O)O2,"InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3",GYNOTJLCULOEIM,UHFFFAOYSA,N,Aflatoxin Q1,GYNOTJLCULOEIM-UHFFFAOYSA-N
HMDB30754,274.084123558,C15H14O5,COC1=CC(=O)OC(\C=C/C2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C15H14O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-13(16)14(7-10)19-2/h3-9,16H,1-2H3/b5-3-",YHVDGZPFCGLBOW,HYXAFXHYSA,N,11-Methoxynoryangonin,YHVDGZPFCGLBOW-HYXAFXHYSA-N
HMDB30755,300.136159128,C18H20O4,COC1=CC(OC)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1C,"InChI=1S/C18H20O4/c1-12-15(21-2)11-16(22-3)17(18(12)20)14(19)10-9-13-7-5-4-6-8-13/h4-8,11,20H,9-10H2,1-3H3",ACLIVQJKNNTVHO,UHFFFAOYSA,N,Myrigalone E,ACLIVQJKNNTVHO-UHFFFAOYSA-N
HMDB30756,352.058302738,C19H12O7,OC12C(COC3=CC4=C(OCO4)C=C13)OC1=C(C=C3C=COC3=C1)C2=O,"InChI=1S/C19H12O7/c20-18-10-3-9-1-2-22-12(9)5-13(10)26-17-7-23-14-6-16-15(24-8-25-16)4-11(14)19(17,18)21/h1-6,17,21H,7-8H2",HLEAVDSSZUIWQI,UHFFFAOYSA,N,13alpha-Hydroxydolineone,HLEAVDSSZUIWQI-UHFFFAOYSA-N
HMDB30757,248.141244506,C15H20O3,CC1=CC2=C(C(=O)C(C)(CO)C2)C(C)=C1CCO,"InChI=1S/C15H20O3/c1-9-6-11-7-15(3,8-17)14(18)13(11)10(2)12(9)4-5-16/h6,16-17H,4-5,7-8H2,1-3H3",BDZJLPDYMKPKGC,UHFFFAOYSA,N,(S)-Pterosin A,BDZJLPDYMKPKGC-UHFFFAOYSA-N
HMDB30758,410.194067936,C21H30O8,CC1=CC2=C(C(=O)C(C)(CO)C2)C(C)=C1CCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H30O8/c1-10-6-12-7-21(3,9-23)19(27)15(12)11(2)13(10)4-5-28-20-18(26)17(25)16(24)14(8-22)29-20/h6,14,16-18,20,22-26H,4-5,7-9H2,1-3H3",UTBLUTBCAVVCIO,UHFFFAOYSA,N,Pteroside A,UTBLUTBCAVVCIO-UHFFFAOYSA-N
HMDB30759,218.13067982,C14H18O2,CC1CC2=C(C1=O)C(C)=C(CCO)C(C)=C2,"InChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3",SJNCSXMTBXDZQA,UHFFFAOYSA,N,(R)-Pterosin B,SJNCSXMTBXDZQA-UHFFFAOYSA-N
HMDB30760,380.18350325,C20H28O7,CC1CC2=C(C1=O)C(C)=C(CCOC1OC(CO)C(O)C(O)C1O)C(C)=C2,"InChI=1S/C20H28O7/c1-9-6-12-7-10(2)16(22)15(12)11(3)13(9)4-5-26-20-19(25)18(24)17(23)14(8-21)27-20/h6,10,14,17-21,23-25H,4-5,7-8H2,1-3H3",UQYNGSPDPASNLN,UHFFFAOYSA,N,Pteroside B,UQYNGSPDPASNLN-UHFFFAOYSA-N
HMDB30761,232.146329884,C15H20O2,COCCC1=C(C)C2=C(CC(C)C2=O)C=C1C,"InChI=1S/C15H20O2/c1-9-7-12-8-10(2)15(16)14(12)11(3)13(9)5-6-17-4/h7,10H,5-6,8H2,1-4H3",YGMHYALYIOLFQS,UHFFFAOYSA,N,Pterosin O,YGMHYALYIOLFQS-UHFFFAOYSA-N
HMDB30762,206.094294314,C12H14O3,CCOC(=O)\C=C\C1=CC=C(OC)C=C1,"InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+",DHNGCHLFKUPGPX,RMKNXTFCSA,N,Ethyl trans-p-methoxycinnamate,DHNGCHLFKUPGPX-RMKNXTFCSA-N
HMDB30763,234.125594442,C14H18O3,CC1C(O)C2=C(C1=O)C(C)=C(CCO)C(C)=C2,"InChI=1S/C14H18O3/c1-7-6-11-12(8(2)10(7)4-5-15)14(17)9(3)13(11)16/h6,9,13,15-16H,4-5H2,1-3H3",QQPCNRKHGFIVLH,UHFFFAOYSA,N,"(10S,11S)-Pterosin C",QQPCNRKHGFIVLH-UHFFFAOYSA-N
HMDB30764,276.136159128,C16H20O4,CC1C(O)C2=C(C1=O)C(C)=C(CCOC(C)=O)C(C)=C2,"InChI=1S/C16H20O4/c1-8-7-13-14(16(19)10(3)15(13)18)9(2)12(8)5-6-20-11(4)17/h7,10,15,18H,5-6H2,1-4H3",KBPAOKSMUDDOIN,UHFFFAOYSA,N,Acetylpterosin C,KBPAOKSMUDDOIN-UHFFFAOYSA-N
HMDB30765,194.057908808,C10H10O4,CC1OC(=O)C2=C(C=CC=C2O)C1O,"InChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3",STSOHAOGZMLWFR,UHFFFAOYSA,N,"(-)-trans-3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one",STSOHAOGZMLWFR-UHFFFAOYSA-N
HMDB30766,278.115423686,C15H18O5,COC1=CC(=O)OC(CCC2=CC(O)=C(OC)C=C2)C1,"InChI=1S/C15H18O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-14(19-2)13(16)7-10/h4,6-7,9,11,16H,3,5,8H2,1-2H3",QQLVNWDQIUZGJM,UHFFFAOYSA,N,11-Hydroxy-12-methoxydihydrokawain,QQLVNWDQIUZGJM-UHFFFAOYSA-N
HMDB30767,292.13107375,C16H20O5,COC1=CC(=O)OC(CCC2=CC(OC)=C(OC)C=C2)C1,"InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3",HEURTYMJWQPWNN,UHFFFAOYSA,N,"11,12-Dimethoxydihydrokawain",HEURTYMJWQPWNN-UHFFFAOYSA-N
HMDB30768,284.068473494,C16H12O5,COC1=C(C2=CC3=CC=CC=C3O2)C(O)=CC2=C1OCO2,"InChI=1S/C16H12O5/c1-18-16-14(10(17)7-13-15(16)20-8-19-13)12-6-9-4-2-3-5-11(9)21-12/h2-7,17H,8H2,1H3",ACHFSGOIKJNVJV,UHFFFAOYSA,N,"2-(6-Hydroxy-2-methoxy-3,4-methylenedioxyphenyl)benzofuran",ACHFSGOIKJNVJV-UHFFFAOYSA-N
HMDB30769,218.057908808,C12H10O4,COC1=CC(=O)C2=C(C(O)=CC(C)=C2)C1=O,"InChI=1S/C12H10O4/c1-6-3-7-8(13)5-10(16-2)12(15)11(7)9(14)4-6/h3-5,14H,1-2H3",KDBWUCIHUALFON,UHFFFAOYSA,N,"8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone",KDBWUCIHUALFON-UHFFFAOYSA-N
HMDB30770,204.115029756,C13H16O2,CC(C)=CCC1=C(O)C=CC(=C1)C(C)=O,"InChI=1S/C13H16O2/c1-9(2)4-5-12-8-11(10(3)14)6-7-13(12)15/h4,6-8,15H,5H2,1-3H3",QJAPFSSVKIZTMR,UHFFFAOYSA,N,4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone,QJAPFSSVKIZTMR-UHFFFAOYSA-N
HMDB30771,338.115423686,C20H18O5,CC1(C)OC2=CC3=C(OC4C5=C(OCC34O)C=C(O)C=C5)C=C2C=C1,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-17-14(9-15(11)25-19)20(22)10-23-16-8-12(21)3-4-13(16)18(20)24-17/h3-9,18,21-22H,10H2,1-2H3",KVUZVBGGLCNPQI,UHFFFAOYSA,N,6alpha-Hydroxyphaseollin,KVUZVBGGLCNPQI-UHFFFAOYSA-N
HMDB30772,296.104859,C18H16O4,OCCCC1=CC2=C(OC(=C2)C2=CC3=C(OCO3)C=C2)C=C1,"InChI=1S/C18H16O4/c19-7-1-2-12-3-5-15-14(8-12)10-17(22-15)13-4-6-16-18(9-13)21-11-20-16/h3-6,8-10,19H,1-2,7,11H2",YQEPMZLWYOAQNI,UHFFFAOYSA,N,Demethoxyegonol,YQEPMZLWYOAQNI-UHFFFAOYSA-N
HMDB30773,174.031694058,C10H6O3,OC1=CC=CC2=C1C(=O)C=CC2=O,"InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H",KQPYUDDGWXQXHS,UHFFFAOYSA,N,Juglone,KQPYUDDGWXQXHS-UHFFFAOYSA-N
HMDB30774,382.068867424,C20H14O8,COC1=C2OC=CC2=CC2=C1OC1COC3=CC4=C(OCO4)C=C3C1(O)C2=O,"InChI=1S/C20H14O8/c1-23-18-16-9(2-3-24-16)4-10-17(18)28-15-7-25-12-6-14-13(26-8-27-14)5-11(12)20(15,22)19(10)21/h2-6,15,22H,7-8H2,1H3",DDGYXSWHWAQNRQ,UHFFFAOYSA,N,(+)-12a-Hydroxypachyrrhizone,DDGYXSWHWAQNRQ-UHFFFAOYSA-N
HMDB30775,464.095476104,C21H20O12,OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",OVSQVDMCBVZWGM,DTGCRPNFSA,N,Quercetin 3-galactoside,OVSQVDMCBVZWGM-DTGCRPNFSA-N
HMDB30776,126.031694058,C6H6O3,CC1=C(O)C(=O)C=CO1,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",XPCTZQVDEJYUGT,UHFFFAOYSA,N,Maltol,XPCTZQVDEJYUGT-UHFFFAOYSA-N
HMDB30777,493.134601264,C23H25O12,COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1",PXUQTDZNOHRWLI,OXUVVOBNSA,O,Malvidin 3-glucoside,PXUQTDZNOHRWLI-OXUVVOBNSA-O
HMDB30778,406.178023942,C25H26O5,CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O,"InChI=1S/C25H26O5/c1-5-15(4)22(27)21-23(28)17(12-11-14(2)3)25-20(24(21)29)18(13-19(26)30-25)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3",YALRCXHVQYBSJC,UHFFFAOYSA,N,Mammea A/AB,YALRCXHVQYBSJC-UHFFFAOYSA-N
HMDB30779,406.178023942,C25H26O5,CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C(O)C2=C1OC(=O)C=C2C1=CC=CC=C1,"InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)21-18(16-8-6-5-7-9-16)13-20(27)30-25(21)22(24(17)29)19(26)12-15(3)4/h5-10,13,15,28-29H,11-12H2,1-4H3",SBHOAZQBEGVQLJ,UHFFFAOYSA,N,Mammea A/BA,SBHOAZQBEGVQLJ-UHFFFAOYSA-N
HMDB30780,406.178023942,C25H26O5,CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C2=C1OC(=O)C=C2C1=CC=CC=C1,"InChI=1S/C25H26O5/c1-5-15(4)22(27)21-24(29)17(12-11-14(2)3)23(28)20-18(13-19(26)30-25(20)21)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3",ZZRRSYITGMMRPP,UHFFFAOYSA,N,Mammea A/BB,ZZRRSYITGMMRPP-UHFFFAOYSA-N
HMDB30781,372.193674006,C22H28O5,CCCC1=CC(=O)OC2=C(CC=C(C)C)C(O)=C(C(=O)CC(C)C)C(O)=C12,"InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3",VXFHCMCZMKQIMR,UHFFFAOYSA,N,Isomammein,VXFHCMCZMKQIMR-UHFFFAOYSA-N
HMDB30782,372.193674006,C22H28O5,CCCC1=CC(=O)OC2=C(CC=C(C)C)C(O)=C(C(=O)C(C)CC)C(O)=C12,"InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3",PQMOXTJVIYEOQL,UHFFFAOYSA,N,Mammea B/AB,PQMOXTJVIYEOQL-UHFFFAOYSA-N
HMDB30783,372.193674006,C22H28O5,CCCC1=CC(=O)OC2=C1C(O)=C(CC=C(C)C)C(O)=C2C(=O)CC(C)C,"InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-18(14)20(25)15(9-8-12(2)3)21(26)19(22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3",LYJWLIYDNZREPC,UHFFFAOYSA,N,Mammea B/BA,LYJWLIYDNZREPC-UHFFFAOYSA-N
HMDB30784,358.178023942,C21H26O5,CCCC(=O)C1=C(O)C(CC=C(C)C)=C(O)C2=C1OC(=O)C=C2CCC,"InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-17(13)19(24)14(10-9-12(3)4)20(25)18(21)15(22)8-6-2/h9,11,24-25H,5-8,10H2,1-4H3",KXLBWJRELYDBOS,UHFFFAOYSA,N,Normammein,KXLBWJRELYDBOS-UHFFFAOYSA-N
HMDB30785,404.162373878,C25H24O5,CC(C)CC(=O)C1=C2OC(C)(C)C=CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O,"InChI=1S/C25H24O5/c1-14(2)12-18(26)21-22(28)20-17(15-8-6-5-7-9-15)13-19(27)29-23(20)16-10-11-25(3,4)30-24(16)21/h5-11,13-14,28H,12H2,1-4H3",VSDJRZADBKXDHP,UHFFFAOYSA,N,Mammeigin,VSDJRZADBKXDHP-UHFFFAOYSA-N
HMDB30786,246.089208936,C14H14O4,CC(C)(O)C1CC2=CC3=C(OC(=O)C=C3)C=C2O1,"InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3",FWYSBEAFFPBAQU,UHFFFAOYSA,N,Marmesin,FWYSBEAFFPBAQU-UHFFFAOYSA-N
HMDB30787,332.162373878,C19H24O5,C\C(CCC(O)C(C)(C)O)=C/COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C19H24O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,17,20,22H,4,8,11H2,1-3H3/b13-10+",QYYKWTUUCOTGNS,JLHYYAGUSA,N,(R)-Marmin,QYYKWTUUCOTGNS-JLHYYAGUSA-N
HMDB30788,260.104859,C15H16O4,COC1=C(CC(C)(C)C=O)C2=C(C=CC(=O)O2)C=C1,"InChI=1S/C15H16O4/c1-15(2,9-16)8-11-12(18-3)6-4-10-5-7-13(17)19-14(10)11/h4-7,9H,8H2,1-3H3",VCYVDHAWDPDCKW,UHFFFAOYSA,N,Citrusal,VCYVDHAWDPDCKW-UHFFFAOYSA-N
HMDB30789,220.037173366,C11H8O5,COC1=C2OCOC2=C2OC(=O)C=CC2=C1,"InChI=1S/C11H8O5/c1-13-7-4-6-2-3-8(12)16-9(6)11-10(7)14-5-15-11/h2-4H,5H2,1H3",GHIKZCCKJTXOGO,UHFFFAOYSA,N,Dracunculin,GHIKZCCKJTXOGO-UHFFFAOYSA-N
HMDB30790,232.146329884,C15H20O2,CC(C)(CCCC1=CC2=C(OCO2)C=C1)C=C,"InChI=1S/C15H20O2/c1-4-15(2,3)9-5-6-12-7-8-13-14(10-12)17-11-16-13/h4,7-8,10H,1,5-6,9,11H2,2-3H3",IHMNTQCUAJQGEX,UHFFFAOYSA,N,"6-[(3,4-Methylenedioxy)phenyl]-3,3-dimethyl-1-hexene",IHMNTQCUAJQGEX-UHFFFAOYSA-N
HMDB30791,276.099773622,C15H16O5,COC1=CC(=O)OC(CCC2=CC3=C(OCO3)C=C2)C1,"InChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3",RSIWXFIBHXYNFM,UHFFFAOYSA,N,Dihydromethysticin,RSIWXFIBHXYNFM-UHFFFAOYSA-N
HMDB30792,358.178023942,C21H26O5,CCCCCC(=O)C1C2CC3=C(COC(\C=C/C)=C3)C(=O)C2(C)OC1=O,"InChI=1S/C21H26O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10,16,18H,4,6-7,9,11-12H2,1-3H3/b8-5-",XXKNHBAFFJINCK,YVMONPNESA,N,Monascoflavin,XXKNHBAFFJINCK-YVMONPNESA-N
HMDB30793,286.084123558,C16H14O5,COC1=CC(=CC(O)=C1)C1=CC2=CC(O)=C(OC)C=C2O1,"InChI=1S/C16H14O5/c1-19-12-4-9(3-11(17)7-12)14-6-10-5-13(18)16(20-2)8-15(10)21-14/h3-8,17-18H,1-2H3",GOUSNRMGQRTROZ,UHFFFAOYSA,N,Moracin B,GOUSNRMGQRTROZ-UHFFFAOYSA-N
HMDB30794,544.246103506,C33H36O7,CC(C)=CCC1=C2OC34C5CC(C=C3C(=O)C2=C(O)C2=C1OC(C)(C)C=C2)C(=O)C4(C\C=C(\C)C=O)OC5(C)C,"InChI=1S/C33H36O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,16,19,23,35H,9,13,15H2,1-7H3/b18-10-",COQAPWLZSHQTKA,ZDLGFXPLSA,N,Morellin,COQAPWLZSHQTKA-ZDLGFXPLSA-N
HMDB30795,590.28796832,C35H42O8,CCOC1C2CC3C(C)(C)OC(C\C=C(\C)C=O)(C2=O)C32OC3=C(CC=C(C)C)C4=C(C=CC(C)(C)O4)C(O)=C3C(=O)C12,"InChI=1S/C35H42O8/c1-9-40-30-22-16-23-33(7,8)43-34(31(22)39,15-12-19(4)17-36)35(23)25(30)27(38)24-26(37)20-13-14-32(5,6)41-28(20)21(29(24)42-35)11-10-18(2)3/h10,12-14,17,22-23,25,30,37H,9,11,15-16H2,1-8H3/b19-12-",IKFKEJSONUWRCD,UNOMPAQXSA,N,Moreollin,IKFKEJSONUWRCD-UNOMPAQXSA-N
HMDB30796,302.042652674,C15H10O7,OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H",YXOLAZRVSSWPPT,UHFFFAOYSA,N,Morin,YXOLAZRVSSWPPT-UHFFFAOYSA-N
HMDB30797,438.167853186,C25H26O7,CC(C)=CCC1=C(OC2=C(C(O)=C3CC(OC3=C2)C(C)(C)O)C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C25H26O7/c1-12(2)5-7-15-22(28)21-19(32-24(15)14-8-6-13(26)9-17(14)27)11-18-16(23(21)29)10-20(31-18)25(3,4)30/h5-6,8-9,11,20,26-27,29-30H,7,10H2,1-4H3",FMKONXHUEWRDEL,UHFFFAOYSA,N,Mulberranol,FMKONXHUEWRDEL-UHFFFAOYSA-N
HMDB30798,356.162373878,C21H24O5,COC1=C(O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(=O)CCCC2)=C1,"InChI=1S/C21H24O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,23-24H,3-7,9H2,1-2H3",ZTSNTUQTNQSIDC,UHFFFAOYSA,N,Myricanone,ZTSNTUQTNQSIDC-UHFFFAOYSA-N
HMDB30799,340.167459256,C21H24O4,COC1=CC2=CC(=C1OC)C1=C(O)C=CC(CCC(=O)CCCC2)=C1,"InChI=1S/C21H24O4/c1-24-20-13-15-5-3-4-6-16(22)9-7-14-8-10-19(23)17(11-14)18(12-15)21(20)25-2/h8,10-13,23H,3-7,9H2,1-2H3",UCIYWYZLILBGOL,UHFFFAOYSA,N,5-Deoxymyricanone,UCIYWYZLILBGOL-UHFFFAOYSA-N
HMDB30800,196.037173366,C9H8O5,COC1=C2OCOC2=CC(=C1)C(O)=O,"InChI=1S/C9H8O5/c1-12-6-2-5(9(10)11)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3,(H,10,11)",AOHAPDDBNAPPIN,UHFFFAOYSA,N,"3-Methoxy-4,5-methylenedioxybenzoic acid",AOHAPDDBNAPPIN-UHFFFAOYSA-N
HMDB30801,278.188194698,C17H26O3,CCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3",CZNLTCTYLMYLHL,UHFFFAOYSA,N,1-(4-Hydroxy-3-methoxyphenyl)-3-decanone,CZNLTCTYLMYLHL-UHFFFAOYSA-N
HMDB30802,332.05321736,C16H12O8,COC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,17-19,21-22H,1H3",JMIFIYIEXODVTO,UHFFFAOYSA,N,Patuletin,JMIFIYIEXODVTO-UHFFFAOYSA-N
HMDB30803,564.147905604,C26H28O14,OCC1OC(C(O)C(O)C1O)C1=C(O)C(C2OCC(O)C(O)C2O)=C(O)C2=C1OC(=CC2=O)C1=CC=C(O)C=C1,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2",OVMFOVNOXASTPA,UHFFFAOYSA,N,Corymboside,OVMFOVNOXASTPA-UHFFFAOYSA-N
HMDB30804,316.058302738,C16H12O7,COC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3",QWUHUBDKQQPMQG,UHFFFAOYSA,N,"2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one",QWUHUBDKQQPMQG-UHFFFAOYSA-N
HMDB30805,478.111126168,C22H22O12,COC1=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3",WLDSVYQTJXGHOT,UHFFFAOYSA,N,Pedaliin,WLDSVYQTJXGHOT-UHFFFAOYSA-N
HMDB30806,641.17177463,C28H33O17,COC1=CC(=CC(O)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1,"InChI=1S/C28H32O17/c1-40-15-3-9(2-12(32)19(15)33)26-16(43-28-25(39)23(37)21(35)18(8-30)45-28)6-11-13(41-26)4-10(31)5-14(11)42-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-30,34-39H,7-8H2,1H3,(H2-,31,32,33)/p+1",KLRABYJGMPNMSA,UHFFFAOYSA,O,Petunin,KLRABYJGMPNMSA-UHFFFAOYSA-O
HMDB30807,286.084123558,C16H14O5,COC1=C(O)C=C(C=C1)C1CC2=C(C(=O)O1)C(O)=CC=C2,"InChI=1S/C16H14O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11(17)15(10)16(19)21-14/h2-7,14,17-18H,8H2,1H3",PBILBHLAPJTJOT,UHFFFAOYSA,N,"3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-1H-2-benzopyran-1-one",PBILBHLAPJTJOT-UHFFFAOYSA-N
HMDB30808,256.073558866,C15H12O4,OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=CC=C1,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2",URFCJEUYXNAHFI,UHFFFAOYSA,N,(S)-Pinocembrin,URFCJEUYXNAHFI-UHFFFAOYSA-N
HMDB30809,256.058302738,C11H12O7,OC(C(O)=O)C(O)(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)",TUODPMGCCJSJRH,UHFFFAOYSA,N,"(2R,3S)-Piscidic acid",TUODPMGCCJSJRH-UHFFFAOYSA-N
HMDB30810,386.172938564,C22H26O6,COC1=C2C=C(CC(O)C(=O)CCCCC3=CC2=C(OC)C(OC)=C3O)C=C1,"InChI=1S/C22H26O6/c1-26-19-9-8-13-10-15(19)16-12-14(20(25)22(28-3)21(16)27-2)6-4-5-7-17(23)18(24)11-13/h8-10,12,18,24-25H,4-7,11H2,1-3H3",VHBRVHUPCPJJMZ,UHFFFAOYSA,N,Porson,VHBRVHUPCPJJMZ-UHFFFAOYSA-N
HMDB30811,330.073952802,C17H14O7,COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C(OC)=C2O1,"InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,18-19,21H,1-2H3",HLSIOUXODPWHFI,UHFFFAOYSA,N,Prudomestin,HLSIOUXODPWHFI-UHFFFAOYSA-N
HMDB30812,360.084517488,C18H16O8,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1,"InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)12-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-12/h4-7,19,21-22H,1-3H3",BTMNGQCCCWTUQH,UHFFFAOYSA,N,Acerosin,BTMNGQCCCWTUQH-UHFFFAOYSA-N
HMDB30813,232.073558872,C13H12O4,CC(=O)CC1=CC(O)=CC2=C1C(=O)C=C(C)O2,"InChI=1S/C13H12O4/c1-7(14)3-9-5-10(15)6-12-13(9)11(16)4-8(2)17-12/h4-6,15H,3H2,1-2H3",YMCXDPKFRCHLPK,UHFFFAOYSA,N,Cassiachromone,YMCXDPKFRCHLPK-UHFFFAOYSA-N
HMDB30814,430.199153314,C24H30O7,CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C2=C1OC(=O)C=C2C(CC)OC(C)=O,"InChI=1S/C24H30O7/c1-7-13(5)21(27)20-23(29)15(10-9-12(3)4)22(28)19-16(11-18(26)31-24(19)20)17(8-2)30-14(6)25/h9,11,13,17,28-29H,7-8,10H2,1-6H3",CIJFRPODNXMJFU,UHFFFAOYSA,N,Mammea E/BB,CIJFRPODNXMJFU-UHFFFAOYSA-N
HMDB30815,430.199153314,C24H30O7,CCC(OC(C)=O)C1=CC(=O)OC2=C1C(O)=C(CC=C(C)C)C(O)=C2C(=O)CC(C)C,"InChI=1S/C24H30O7/c1-7-18(30-14(6)25)16-11-19(27)31-24-20(16)22(28)15(9-8-12(2)3)23(29)21(24)17(26)10-13(4)5/h8,11,13,18,28-29H,7,9-10H2,1-6H3",YOWZJSSQEMLPTC,UHFFFAOYSA,N,Mammea E/BA,YOWZJSSQEMLPTC-UHFFFAOYSA-N
HMDB30816,202.099379692,C13H14O2,CC(=O)C1=CC2=C(OC(C)(C)C=C2)C=C1,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",ZAJTXVHECZCXLH,UHFFFAOYSA,N,"6-Acetyl-2,2-dimethyl-2H-1-benzopyran",ZAJTXVHECZCXLH-UHFFFAOYSA-N
HMDB30817,394.126382302,C19H22O9,CC(=O)C1=C(O)C2=C(OC3OC(CO)C(O)C(O)C3O)C=C(O)C=C2C=C1C,"InChI=1S/C19H22O9/c1-7-3-9-4-10(22)5-11(14(9)16(24)13(7)8(2)21)27-19-18(26)17(25)15(23)12(6-20)28-19/h3-5,12,15,17-20,22-26H,6H2,1-2H3",VJDBDVUFFPRHSF,UHFFFAOYSA,N,6-Hydroxymusizin 8-O-b-D-glucopyranoside,VJDBDVUFFPRHSF-UHFFFAOYSA-N
HMDB30818,206.057908802,C11H10O4,COC1=C(OC)C=C2C=CC(=O)OC2=C1,"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",GUAFOGOEJLSQBT,UHFFFAOYSA,N,Scoparone,GUAFOGOEJLSQBT-UHFFFAOYSA-N
HMDB30819,178.026608673,C9H6O4,OC1=C(O)C=C2C=CC(=O)OC2=C1,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",ILEDWLMCKZNDJK,UHFFFAOYSA,N,Aesculetin,ILEDWLMCKZNDJK-UHFFFAOYSA-N
HMDB30820,340.07943211,C15H16O9,OCC1OC(OC2=C(O)C=C3OC(=O)C=CC3=C2)C(O)C(O)C1O,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2",XHCADAYNFIFUHF,UHFFFAOYSA,N,Aesculin,XHCADAYNFIFUHF-UHFFFAOYSA-N
HMDB30821,340.07943211,C15H16O9,OCC1OC(OC2=C(O)C=C3C=CC(=O)OC3=C2)C(O)C(O)C1O,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-8-6(3-7(9)17)1-2-11(18)22-8/h1-4,10,12-17,19-21H,5H2",WNBCMONIPIJTSB,UHFFFAOYSA,N,Cichoriin,WNBCMONIPIJTSB-UHFFFAOYSA-N
HMDB30822,274.084123558,C15H14O5,O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C=C1)C=C(O)C=C2O,"InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1",RSYUFYQTACJFML,UKRRQHHQSA,N,(-)-Epiafzelechin,RSYUFYQTACJFML-UKRRQHHQSA-N
HMDB30823,274.084123558,C15H14O5,OC1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C=C1,"InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2",RSYUFYQTACJFML,UHFFFAOYSA,N,Afzelechin,RSYUFYQTACJFML-UHFFFAOYSA-N
HMDB30824,406.126382302,C20H22O9,OCC1(O)COC(OC2=CC(O)=C3CC(O)C(OC3=C2)C2=CC=C(O)C=C2)C1O,"InChI=1S/C20H22O9/c21-8-20(26)9-27-19(18(20)25)28-12-5-14(23)13-7-15(24)17(29-16(13)6-12)10-1-3-11(22)4-2-10/h1-6,15,17-19,21-26H,7-9H2",BJBAEYMVZJJUEM,UHFFFAOYSA,N,Afzelechin 7-apioside,BJBAEYMVZJJUEM-UHFFFAOYSA-N
HMDB30825,388.188588628,C22H28O6,COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C22H28O6/c1-7-8-15-11-19(26-5)22(20(12-15)27-6)28-14(2)21(23)16-9-10-17(24-3)18(13-16)25-4/h7,9-14,21,23H,1,8H2,2-6H3",IQBXVNSNERBTIG,UHFFFAOYSA,N,"2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol",IQBXVNSNERBTIG-UHFFFAOYSA-N
HMDB30826,372.1572885,C21H24O6,COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC2=C(OCO2)C=C1,"InChI=1S/C21H24O6/c1-5-6-14-9-18(23-3)21(19(10-14)24-4)27-13(2)20(22)15-7-8-16-17(11-15)26-12-25-16/h5,7-11,13,20,22H,1,6,12H2,2-4H3",RRMZKOOCNBRGQT,UHFFFAOYSA,N,"2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-methylenedioxyphenyl)-1-propanol",RRMZKOOCNBRGQT-UHFFFAOYSA-N
HMDB30827,414.167853186,C23H26O7,COC1=CC(CC=C)=CC(OC)=C1OC(C)C(OC(C)=O)C1=CC2=C(OCO2)C=C1,"InChI=1S/C23H26O7/c1-6-7-16-10-20(25-4)23(21(11-16)26-5)29-14(2)22(30-15(3)24)17-8-9-18-19(12-17)28-13-27-18/h6,8-12,14,22H,1,7,13H2,2-5H3",TXMPVOYUEWSAFV,UHFFFAOYSA,N,"1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate",TXMPVOYUEWSAFV-UHFFFAOYSA-N
HMDB30828,418.199153314,C23H30O7,COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C23H30O7/c1-8-9-15-10-17(25-3)23(18(11-15)26-4)30-14(2)21(24)16-12-19(27-5)22(29-7)20(13-16)28-6/h8,10-14,21,24H,1,9H2,2-7H3",KKEKLEUWEJUCRA,UHFFFAOYSA,N,"2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1-propanol",KKEKLEUWEJUCRA-UHFFFAOYSA-N
HMDB30829,270.05282343,C15H10O5,OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O,"InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2",YDQWDHRMZQUTBA,UHFFFAOYSA,N,Aloeemodin,YDQWDHRMZQUTBA-UHFFFAOYSA-N
HMDB30830,298.047738052,C16H10O6,CC1=C2C(=O)C3=C(C=CC=C3O)C(=O)C2=CC(O)=C1C(O)=O,"InChI=1S/C16H10O6/c1-6-11-8(5-10(18)12(6)16(21)22)14(19)7-3-2-4-9(17)13(7)15(11)20/h2-5,17-18H,1H3,(H,21,22)",MHABMANUFPZXEB,UHFFFAOYSA,N,"3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid",MHABMANUFPZXEB-UHFFFAOYSA-N
HMDB30831,258.05282343,C14H10O5,CC1=CC(O)=CC2=C1C1=C(C(=O)O2)C(O)=CC(O)=C1,"InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3",CEBXXEKPIIDJHL,UHFFFAOYSA,N,Alternariol,CEBXXEKPIIDJHL-UHFFFAOYSA-N
HMDB30832,538.089996796,C30H18O10,OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(=C2O1)C1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H",YUSWMAULDXZHPY,UHFFFAOYSA,N,Amentoflavone,YUSWMAULDXZHPY-UHFFFAOYSA-N
HMDB30833,552.10564686,C31H20O10,COC1=C(C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1,"InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3",IWEIJEPIYMAGTH,UHFFFAOYSA,N,Bilobetin,IWEIJEPIYMAGTH-UHFFFAOYSA-N
HMDB30834,328.094688244,C18H16O6,OCC1OC2=C(OC1C1=CC(O)=C(O)C=C1)C=CC(\C=C/C=O)=C2,"InChI=1S/C18H16O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-9,17-18,20-22H,10H2/b2-1-",NTXXGPYGMQQSML,UPHRSURJSA,N,Americanin A,NTXXGPYGMQQSML-UPHRSURJSA-N
HMDB30835,320.05321736,C15H12O8,OC1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H",KJXSIXMJHKAJOD,UHFFFAOYSA,N,"trans-3,3',4',5,5',7-Hexahydroxyflavanone",KJXSIXMJHKAJOD-UHFFFAOYSA-N
HMDB30836,814.668655234,C51H90O7,CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(CC)C(C)C)C(O)C(O)C1O,"InChI=1S/C51H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h25,35-37,39-44,46-49,53-55H,8-24,26-34H2,1-7H3",JCLYMCVRBRHEHI,UHFFFAOYSA,N,Sitoindoside I,JCLYMCVRBRHEHI-UHFFFAOYSA-N
HMDB30837,148.088815006,C10H12O,COC1=CC=C(\C=C/C)C=C1,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3-",RUVINXPYWBROJD,ARJAWSKDSA,N,Anethole,RUVINXPYWBROJD-ARJAWSKDSA-N
HMDB30838,202.135765198,C14H18O,C\C=C/C1=CC=C(OCC=C(C)C)C=C1,"InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4-10H,11H2,1-3H3/b5-4-",JGELFJUQMIUNOO,PLNGDYQASA,N,Feniculin,JGELFJUQMIUNOO-PLNGDYQASA-N
HMDB30839,134.073164942,C9H10O,C\C=C/C1=CC=C(O)C=C1,"InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2-7,10H,1H3/b3-2-",UMFCIIBZHQXRCJ,IHWYPQMZSA,N,(Z)-4-(1-Propenyl)phenol,UMFCIIBZHQXRCJ-IHWYPQMZSA-N
HMDB30840,286.099379692,C20H14O2,COC1=CC2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=CC=C1,"InChI=1S/C20H14O2/c1-22-17-12-15-9-5-8-14-10-11-16(13-6-3-2-4-7-13)19(18(14)15)20(17)21/h2-12H,1H3",NXRGWQRQXPUQSX,UHFFFAOYSA,N,2-Methoxy-9-phenyl-1H-phenalen-1-one,NXRGWQRQXPUQSX-UHFFFAOYSA-N
HMDB30841,328.167459256,C20H24O4,CC(C)C1=CC2=CC3OC(=O)C4(CCCC(C)(C)C34)C2=C(O)C1=O,"InChI=1S/C20H24O4/c1-10(2)12-8-11-9-13-17-19(3,4)6-5-7-20(17,18(23)24-13)14(11)16(22)15(12)21/h8-10,13,17,22H,5-7H2,1-4H3",CYJLXXSGOZGYMC,UHFFFAOYSA,N,Sagequinone methide A,CYJLXXSGOZGYMC-UHFFFAOYSA-N
HMDB30842,312.099773622,C18H16O5,COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C=C(OC)C=C2O1,"InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3",ZXJJBDHPUHUUHD,UHFFFAOYSA,N,"4',5,7-Trimethoxyflavone",ZXJJBDHPUHUUHD-UHFFFAOYSA-N
HMDB30843,564.147905604,C26H28O14,OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O,"InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2",NTDLXWMIWOECHG,UHFFFAOYSA,N,Apiin,NTDLXWMIWOECHG-UHFFFAOYSA-N
HMDB30844,390.204238692,C22H30O6,COC1C2=C(C(O)=C(O)C(=C2)C(C)C)C23CCCC(C)(C)C2C1(OC)OC3=O,"InChI=1S/C22H30O6/c1-11(2)12-10-13-14(16(24)15(12)23)21-9-7-8-20(3,4)18(21)22(27-6,17(13)26-5)28-19(21)25/h10-11,17-18,23-24H,7-9H2,1-6H3",MCHRWEBHSKWYBW,UHFFFAOYSA,N,"6,7-Dimethoxy-7-epirosmanol",MCHRWEBHSKWYBW-UHFFFAOYSA-N
HMDB30845,426.167853186,C24H26O7,C\C=C(\C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)C(\C)=C/C,"InChI=1S/C24H26O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-",RVGGCRQPGKFZDS,PVRNWPCDSA,N,Archangelicin,RVGGCRQPGKFZDS-PVRNWPCDSA-N
HMDB30846,338.151809192,C21H22O4,CC1=C(COC2=C3C=COC3=CC3=C2C=CC(=O)O3)CCC(C)(C)C1,"InChI=1S/C21H22O4/c1-13-11-21(2,3)8-6-14(13)12-24-20-15-4-5-19(22)25-18(15)10-17-16(20)7-9-23-17/h4-5,7,9-10H,6,8,11-12H2,1-3H3",NETRCGJRLNZPCW,UHFFFAOYSA,N,Archangelin,NETRCGJRLNZPCW-UHFFFAOYSA-N
HMDB30847,288.063388116,C15H12O6,O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",PADQINQHPQKXNL,LSDHHAIUSA,N,Aromadendrin,PADQINQHPQKXNL-LSDHHAIUSA-N
HMDB30848,354.110338308,C20H18O6,CC(C)=CCC1=C(O)C2=C(OC(=CC2=O)C2=C(O)C=C(O)C=C2)C=C1O,"InChI=1S/C20H18O6/c1-10(2)3-5-13-15(23)8-18-19(20(13)25)16(24)9-17(26-18)12-6-4-11(21)7-14(12)22/h3-4,6-9,21-23,25H,5H2,1-2H3",YWUVFGZTDLJVCR,UHFFFAOYSA,N,Artocarpesin,YWUVFGZTDLJVCR-UHFFFAOYSA-N
HMDB30849,436.188588628,C26H28O6,COC1=CC2=C(C(O)=C1\C=C\C(C)C)C(=O)C(CC=C(C)C)=C(O2)C1=C(O)C=C(O)C=C1,"InChI=1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-9,11-14,27-29H,10H2,1-5H3/b9-6+",KRGDFVQWQJIMEK,RMKNXTFCSA,N,Artocarpin,KRGDFVQWQJIMEK-RMKNXTFCSA-N
HMDB30850,428.18350325,C24H28O7,COC1=CC2=C(C(=O)CC(O2)C2=CC(OC)=C(OC)C(OC)=C2)C(O)=C1CC=C(C)C,"InChI=1S/C24H28O7/c1-13(2)7-8-15-18(27-3)12-19-22(23(15)26)16(25)11-17(31-19)14-9-20(28-4)24(30-6)21(10-14)29-5/h7,9-10,12,17,26H,8,11H2,1-6H3",ZRRIYQXQQBEZOK,UHFFFAOYSA,N,Artoflavanone,ZRRIYQXQQBEZOK-UHFFFAOYSA-N
HMDB30851,452.13186161,C21H24O11,OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C(C(=O)CCC2=CC(O)=C(O)C=C2)=C1O,"InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2",VCPUQYKWJRESOC,UHFFFAOYSA,N,Aspalathin,VCPUQYKWJRESOC-UHFFFAOYSA-N
HMDB30852,286.084123558,C16H14O5,COC1=CC(OC)=C2C(C=C(O)C3=C2OC(C)=CC3=O)=C1,"InChI=1S/C16H14O5/c1-8-4-11(17)15-12(18)6-9-5-10(19-2)7-13(20-3)14(9)16(15)21-8/h4-7,18H,1-3H3",ARXPDHLVDOYIPX,UHFFFAOYSA,N,Asperxanthone,ARXPDHLVDOYIPX-UHFFFAOYSA-N
HMDB30853,260.104859,C15H16O4,COC1=C(CC2OC2(C)C)C2=C(C=CC(=O)O2)C=C1,"InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3",LSZONYLDFHGRDP,UHFFFAOYSA,N,(R)-Meranzin,LSZONYLDFHGRDP-UHFFFAOYSA-N
HMDB30854,260.104859,C15H16O4,COC1=C(CC(O)C(C)=C)C2=C(C=CC(=O)O2)C=C1,"InChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,12,16H,1,8H2,2-3H3",SQSRYWNOKPJENY,UHFFFAOYSA,N,(S)-Auraptenol,SQSRYWNOKPJENY-UHFFFAOYSA-N
HMDB30856,592.15807636,C31H28O12,COC1=CC2=C(C3=C(C(=O)CC(C)(O)O3)C(O)=C2C(OC)=C1)C1=C(OC)C2=C(C=C1O)C=C1OC(C)(O)CC(=O)C1=C2O,"InChI=1S/C31H28O12/c1-30(37)10-16(33)23-19(42-30)7-12-6-15(32)24(28(41-5)20(12)26(23)35)22-14-8-13(39-3)9-18(40-4)21(14)27(36)25-17(34)11-31(2,38)43-29(22)25/h6-9,32,35-38H,10-11H2,1-5H3",BAIJEJFONPISHA,UHFFFAOYSA,N,Aurasperone C,BAIJEJFONPISHA-UHFFFAOYSA-N
HMDB30857,606.173726424,C32H30O12,COC1=CC2=C(C(O)=C3C(=O)CC(C)(O)OC3=C2C2=C(OC)C=C3C=C4OC(C)(O)CC(=O)C4=C(O)C3=C2OC)C(OC)=C1,"InChI=1S/C32H30O12/c1-31(37)11-16(33)24-20(43-31)8-13-7-18(40-4)26(29(42-6)21(13)27(24)35)23-15-9-14(39-3)10-19(41-5)22(15)28(36)25-17(34)12-32(2,38)44-30(23)25/h7-10,35-38H,11-12H2,1-6H3",VIFQAHKDYKZMMS,UHFFFAOYSA,N,Aurasperone B,VIFQAHKDYKZMMS-UHFFFAOYSA-N
HMDB30858,236.068473494,C12H12O5,CC1=CC2=C(C=O)C(=O)C(C)(O)C(O)C2=CO1,"InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3",QVMUHZHZYCDMAI,UHFFFAOYSA,N,Austdiol,QVMUHZHZYCDMAI-UHFFFAOYSA-N
HMDB30859,342.146723814,C20H22O5,COC1=C(O)C=CC(=C1)C1OC(C(C)C1C)C1=CC=C2OCOC2=C1,"InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3",JPDORDSJPIKURD,UHFFFAOYSA,N,Austrobailignan 7,JPDORDSJPIKURD-UHFFFAOYSA-N
HMDB30860,434.084911418,C20H18O11,OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2",BDCDNTVZSILEOY,UHFFFAOYSA,N,Avicularin,BDCDNTVZSILEOY-UHFFFAOYSA-N
HMDB30861,422.172938564,C25H26O6,CC1(C)C2CCC3(C)OC4=C(C=C(C5CC(=O)C6=C(O)C=C(O)C=C6O5)C(O)=C4)C1C23,"InChI=1S/C25H26O6/c1-24(2)14-4-5-25(3)23(14)22(24)13-8-12(15(27)9-19(13)31-25)18-10-17(29)21-16(28)6-11(26)7-20(21)30-18/h6-9,14,18,22-23,26-28H,4-5,10H2,1-3H3",IJVOVAHXZFALHZ,UHFFFAOYSA,N,Kuwanon D,IJVOVAHXZFALHZ-UHFFFAOYSA-N
HMDB30862,424.188588628,C25H28O6,CC(C)=CCC\C(C)=C\CC1=CC(C2CC(=O)C3=C(O)C=C(O)C=C3O2)=C(O)C=C1O,"InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-18(20(28)12-19(16)27)23-13-22(30)25-21(29)10-17(26)11-24(25)31-23/h5,7,9-12,23,26-29H,4,6,8,13H2,1-3H3/b15-7+",GJFHZVPRFLHEBR,VIZOYTHASA,N,Kuwanon E,GJFHZVPRFLHEBR-VIZOYTHASA-N
HMDB30863,422.172938564,C25H26O6,CC(C)=CCCC1(C)OC2=C(C=C1)C=C(C1CC(=O)C3=C(O)C=C(O)C=C3O1)C(O)=C2,"InChI=1S/C25H26O6/c1-14(2)5-4-7-25(3)8-6-15-9-17(18(27)12-21(15)31-25)22-13-20(29)24-19(28)10-16(26)11-23(24)30-22/h5-6,8-12,22,26-28H,4,7,13H2,1-3H3",FZAZNGMSARSUNC,UHFFFAOYSA,N,Kuwanon F,FZAZNGMSARSUNC-UHFFFAOYSA-N
HMDB30864,448.100561482,C21H20O11,OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",JPUKWEQWGBDDQB,UHFFFAOYSA,N,Trifolin,JPUKWEQWGBDDQB-UHFFFAOYSA-N
HMDB30865,574.111126168,C30H22O12,CC1=CC(O)=C2C(=O)C3=C(O)CC(O)C4C5C(O)C(C(=O)C6=C5C(O)=C5C(=O)C(C)=CC(=O)C5=C6O)C34C(=O)C2=C1O,"InChI=1S/C30H22O12/c1-6-3-8(31)12-16(22(6)35)25(38)14-15-19-10(33)5-11(34)20-26(39)13-9(32)4-7(2)23(36)18(13)29(42)30(19,20)21(27(15)40)28(41)17(14)24(12)37/h3-4,10,15,19,21,27,32-34,36-38,40H,5H2,1-2H3",VNIPLHKVUIWVEN,UHFFFAOYSA,N,Rubroskyrin,VNIPLHKVUIWVEN-UHFFFAOYSA-N
HMDB30866,558.116211546,C30H22O11,CC1=CC(O)=C2C(=O)C3=C(O)CC(O)C4C5C(O)C(C(=O)C6=C5C(O)=C5C(=O)C(C)=CC(=O)C5=C6O)C34C(=O)C2=C1,"InChI=1S/C30H22O11/c1-7-3-9-14(10(31)4-7)26(38)21-13(34)6-12(33)20-17-16-19(28(40)22(27(17)39)30(20,21)29(9)41)24(36)15-11(32)5-8(2)23(35)18(15)25(16)37/h3-5,12,17,20,22,27,31,33-34,36-37,39H,6H2,1-2H3",ZXFJPTIAJDFMNM,UHFFFAOYSA,N,Deoxyrubroskyrin,ZXFJPTIAJDFMNM-UHFFFAOYSA-N
HMDB30867,196.146329884,C12H20O2,CCCCC\C=C\CC1CCC(=O)O1,"InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3/b7-6+",QFXOXDSHNXAFEY,VOTSOKGWSA,N,Dihydro-5-(2-octenyl)-2(3H)-furanone,QFXOXDSHNXAFEY-VOTSOKGWSA-N
HMDB30868,402.204238692,C23H30O6,COC1=CC(=O)OC(\C=C/C=C/C=C\C(\C)=C\C2(C)OC(C)C(C)(O)C2O)=C1C,"InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9-,12-10-,15-14+",JLSVDPQAIKFBTO,MAUVYNLPSA,N,Citreoviridin A,JLSVDPQAIKFBTO-MAUVYNLPSA-N
HMDB30869,460.136946988,C23H24O10,COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(OC)C=C2C1=O,"InChI=1S/C23H24O10/c1-29-12-5-3-11(4-6-12)14-10-31-15-8-17(16(30-2)7-13(15)19(14)25)32-23-22(28)21(27)20(26)18(9-24)33-23/h3-8,10,18,20-24,26-28H,9H2,1-2H3",YLYJXNTZVUEFJZ,UHFFFAOYSA,N,Wistin,YLYJXNTZVUEFJZ-UHFFFAOYSA-N
HMDB30870,552.147905604,C25H28O14,COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C=CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)=C3,"InChI=1S/C25H28O14/c1-34-10-5-12(26)17-15(6-10)38-14-3-2-9(4-11(14)18(17)28)37-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)13(27)7-35-24/h2-6,13,16,19-27,29-33H,7-8H2,1H3",KDXQJCRCDRBRFU,UHFFFAOYSA,N,1-Hydroxy-3-methoxy-7-primeverosyloxyxanthone,KDXQJCRCDRBRFU-UHFFFAOYSA-N
HMDB30871,258.05282343,C14H10O5,COC1=CC2=C(OC3=CC(O)=CC(O)=C3C2=O)C=C1,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",FVIYCYAHKMJVJK,UHFFFAOYSA,N,Isogentisin,FVIYCYAHKMJVJK-UHFFFAOYSA-N
HMDB30872,552.147905604,C25H28O14,COC1=CC2=C(OC3=CC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)=CC(O)=C3C2=O)C=C1,"InChI=1S/C25H28O14/c1-34-9-2-3-14-11(4-9)18(28)17-12(26)5-10(6-15(17)38-14)37-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)13(27)7-35-24/h2-6,13,16,19-27,29-33H,7-8H2,1H3",DNIDCQUDANKQTL,UHFFFAOYSA,N,Gentioside,DNIDCQUDANKQTL-UHFFFAOYSA-N
HMDB30873,272.068473494,C15H12O5,COC1=CC2=C(OC3=CC(OC)=CC(O)=C3C2=O)C=C1,"InChI=1S/C15H12O5/c1-18-8-3-4-12-10(5-8)15(17)14-11(16)6-9(19-2)7-13(14)20-12/h3-7,16H,1-2H3",FWBPZAVSTQBRKT,UHFFFAOYSA,N,"1-Hydroxy-3,7-dimethoxyxanthone",FWBPZAVSTQBRKT-UHFFFAOYSA-N
HMDB30874,254.057908808,C15H10O4,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1)C2=O,"InChI=1S/C15H10O4/c1-7-4-11-13(12(17)5-7)15(19)9-3-2-8(16)6-10(9)14(11)18/h2-6,16-17H,1H3",CABAPJGWBVFEQH,UHFFFAOYSA,N,Phomarin,CABAPJGWBVFEQH-UHFFFAOYSA-N
HMDB30875,300.099773622,C17H16O5,COC1=CC(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(OC)=C1,"InChI=1S/C17H16O5/c1-21-13-9-15(20)17(16(10-13)22-2)14(19)8-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b8-5+",UXUFMIJZNYXWDX,VMPITWQZSA,N,"2',4-Dihydroxy-4',6'-dimethoxychalcone",UXUFMIJZNYXWDX-VMPITWQZSA-N
HMDB30876,173.9076134,C2H6S2Se,CS[Se]SC,InChI=1S/C2H6S2Se/c1-3-5-4-2/h1-2H3,SMYUGMJGEHVHJO,UHFFFAOYSA,N,Bis(methylthio) selenide,SMYUGMJGEHVHJO-UHFFFAOYSA-N
HMDB30877,167.951192774,C4H8SSe,C[Se]SCC=C,"InChI=1S/C4H8SSe/c1-3-4-5-6-2/h3H,1,4H2,2H3",XRZIJESAGNNCGP,UHFFFAOYSA,N,Methyl (2-propenylthio) selenide,XRZIJESAGNNCGP-UHFFFAOYSA-N
HMDB30878,135.979122084,C4H8Se,C[Se]CC=C,"InChI=1S/C4H8Se/c1-3-4-5-2/h3H,1,4H2,2H3",FLYUHVDDRSUKDK,UHFFFAOYSA,N,Methyl 2-propenyl selenide,FLYUHVDDRSUKDK-UHFFFAOYSA-N
HMDB30879,141.93554271,C2H6SSe,CS[Se]C,InChI=1S/C2H6SSe/c1-3-4-2/h1-2H3,LAEOMBGBTHRVJT,UHFFFAOYSA,N,Methyl methylthio selenide,LAEOMBGBTHRVJT-UHFFFAOYSA-N
HMDB30880,167.951192774,C4H8SSe,C[Se]S\C=C\C,"InChI=1S/C4H8SSe/c1-3-4-5-6-2/h3-4H,1-2H3/b4-3+",PKWUFFFGGWGNIG,ONEGZZNKSA,N,Methyl 1-propene-1-sulfenoselenoate,PKWUFFFGGWGNIG-ONEGZZNKSA-N
HMDB30881,240.115029756,C16H16O2,CC#CC#CC#C\C=C\C=C\CCCOC(C)=O,"InChI=1S/C16H16O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h9-12H,13-15H2,1-2H3/b10-9+,12-11+",CWMYRIMGSBQMJG,HULFFUFUSA,N,"1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne",CWMYRIMGSBQMJG-HULFFUFUSA-N
HMDB30882,262.084123558,C14H14O5,CC(C)(O)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2,"InChI=1S/C14H14O5/c1-14(2,17)9-6-8-5-7-3-4-10(15)19-12(7)11(16)13(8)18-9/h3-5,9,16-17H,6H2,1-2H3",FVFQELHSZVFPDZ,UHFFFAOYSA,N,(S)-Rutaretin,FVFQELHSZVFPDZ-UHFFFAOYSA-N
HMDB30883,424.136946988,C20H24O10,CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2,"InChI=1S/C20H24O10/c1-20(2,30-19-15(25)14(24)13(23)10(7-21)27-19)11-6-9-5-8-3-4-12(22)29-17(8)16(26)18(9)28-11/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3",QZUDEXAHKXCIDG,UHFFFAOYSA,N,Leptophylloside,QZUDEXAHKXCIDG-UHFFFAOYSA-N
HMDB30884,424.136946988,C20H24O10,CC(C)(O)C1CC2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C1OC(=O)C=CC1=C2,"InChI=1S/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3",JWWFVRMFYKPZNE,UHFFFAOYSA,N,Rutarin,JWWFVRMFYKPZNE-UHFFFAOYSA-N
HMDB30885,370.381080844,C24H50O2,OCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C24H50O2/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26/h25-26H,1-24H2",SPUHPCYLASTIGZ,UHFFFAOYSA,N,"1,24-Tetracosanediol",SPUHPCYLASTIGZ-UHFFFAOYSA-N
HMDB30886,962.545030442,C48H82O19,CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(C\C=C\C(C)(C)O)OC3OC(CO)C(O)C(O)C3O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O,"InChI=1S/C48H82O19/c1-21-30(53)33(56)36(59)40(62-21)66-38-35(58)32(55)26(20-50)65-42(38)63-24-18-47(8)27(45(6)15-12-28(52)44(4,5)39(24)45)17-23(51)29-22(11-16-46(29,47)7)48(9,14-10-13-43(2,3)61)67-41-37(60)34(57)31(54)25(19-49)64-41/h10,13,21-42,49-61H,11-12,14-20H2,1-9H3/b13-10+",RSOHUXCZIQMEMQ,JLHYYAGUSA,N,Majoroside F6,RSOHUXCZIQMEMQ-JLHYYAGUSA-N
HMDB30887,800.492207012,C42H72O14,CC(C)C(O)\C=C\C(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C42H72O14/c1-20(2)22(45)10-16-42(8,56-37-35(52)33(50)31(48)25(19-44)54-37)21-9-14-41(7)29(21)23(46)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(51)32(49)30(47)24(18-43)53-36/h10,16,20-37,43-52H,9,11-15,17-19H2,1-8H3/b16-10+",QBGJMXNDMOZGPR,MHWRWJLKSA,N,Majoroside F3,QBGJMXNDMOZGPR-MHWRWJLKSA-N
HMDB30888,248.141244506,C15H20O3,CC1(CO)CC2=C(C1)C(C)(O)C1(CC1)C(=C)C2=O,"InChI=1S/C15H20O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h16,18H,1,4-8H2,2-3H3",QZJXMQBEUMDWAU,UHFFFAOYSA,N,Illudin C2,QZJXMQBEUMDWAU-UHFFFAOYSA-N
HMDB30889,412.370516158,C29H48O,CCC(CCC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-22,25-27H,7-10,12-18H2,1-6H3",JWANJDUXWSJWER,UHFFFAOYSA,N,"22,23-Dihydro-alpha-spinasterone",JWANJDUXWSJWER-UHFFFAOYSA-N
HMDB30890,612.460119024,C35H64O8,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCC(O)C(O)CCCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-19-31(39)33-22-23-34(43-33)32(40)21-16-20-30(38)29(37)18-15-12-13-17-28-25-27(24-26(2)36)35(41)42-28/h27-34,37-40H,3-25H2,1-2H3",GRPDKIJVLYPUGU,UHFFFAOYSA,N,Annomuricin-D-one,GRPDKIJVLYPUGU-UHFFFAOYSA-N
HMDB30891,236.177630012,C15H24O2,CC(C)=CC(=O)C\C(C)=C\CC\C(C)=C\CO,"InChI=1S/C15H24O2/c1-12(2)10-15(17)11-14(4)7-5-6-13(3)8-9-16/h7-8,10,16H,5-6,9,11H2,1-4H3/b13-8+,14-7+",VCXVMWVWGVWZPY,CCLLZULESA,N,"(2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one",VCXVMWVWGVWZPY-CCLLZULESA-N
HMDB30892,152.120115134,C10H16O,CC(C=O)C1=CCC(C)CC1,"InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h5,7-9H,3-4,6H2,1-2H3",SPXGCTAVKRKSKR,UHFFFAOYSA,N,p-Menth-3-en-9-al,SPXGCTAVKRKSKR-UHFFFAOYSA-N
HMDB30893,152.120115134,C10H16O,CC(C)=CC\C=C(/C)CC=O,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,8H,4,7H2,1-3H3/b10-6+",OJLMARCQPSGYNE,UXBLZVDNSA,N,Isocitral,OJLMARCQPSGYNE-UXBLZVDNSA-N
HMDB30894,440.401816286,C31H52O,CCC(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3)C(C)=C,"InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h21-25,28,32H,2,9-19H2,1,3-8H3",UULZCTIPCNJXAT,UHFFFAOYSA,N,"(3beta,4alpha,5alpha,24S)-4,14-Dimethylstigmasta-8,25-dien-3-ol",UULZCTIPCNJXAT-UHFFFAOYSA-N
HMDB30895,414.225368064,C21H34O8,CC1CC(=O)C=C(C)C11CCC(C1)C(C)(O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H34O8/c1-11-6-14(23)7-12(2)21(11)5-4-13(8-21)20(3,27)10-28-19-18(26)17(25)16(24)15(9-22)29-19/h6,12-13,15-19,22,24-27H,4-5,7-10H2,1-3H3",FSQYQQPZIHCQMQ,UHFFFAOYSA,N,"(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside",FSQYQQPZIHCQMQ-UHFFFAOYSA-N
HMDB30896,540.454245786,C36H60O3,CC\C=C\C(C)(O)OCC1(C)C2CCC3(C)C(CCC4C5C(C)C(C)CCC5(C)CCC34C)C2(C)CCC1=O,"InChI=1S/C36H60O3/c1-10-11-17-36(9,38)39-23-33(6)27-15-20-35(8)28(32(27,5)19-16-29(33)37)13-12-26-30-25(3)24(2)14-18-31(30,4)21-22-34(26,35)7/h11,17,24-28,30,38H,10,12-16,18-23H2,1-9H3/b17-11+",UQBFECUQCTWGFC,GZTJUZNOSA,N,Momordicilin,UQBFECUQCTWGFC-GZTJUZNOSA-N
HMDB30897,456.251188884,C27H36O6,CC1(CCC(=O)O1)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O,"InChI=1S/C27H36O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h14,16-17,28H,7-13H2,1-6H3",NEYFZTSOEPMHGQ,UHFFFAOYSA,N,Lucidenolactone,NEYFZTSOEPMHGQ-UHFFFAOYSA-N
HMDB30898,392.307915902,C28H40O,CC(C)C(C)\C=C\C(C)C1CCC2C3=C(CCC12C)C1(C)CCC(=O)C=C1C=C3,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24-25H,11-16H2,1-6H3/b8-7+",PVOXMLZUXQNIHC,BQYQJAHWSA,N,"(22E, 24x)-Ergosta-4,6,8,22-tetraen-3-one",PVOXMLZUXQNIHC-BQYQJAHWSA-N
HMDB30899,364.188588628,C20H28O6,C\C=C(/C)C(=O)OC1C23OC2(CC2CCC(O)C(C)C12C)OC(=O)C3C,"InChI=1S/C20H28O6/c1-6-10(2)15(22)24-17-18(5)11(3)14(21)8-7-13(18)9-19-20(17,26-19)12(4)16(23)25-19/h6,11-14,17,21H,7-9H2,1-5H3/b10-6+",FYNKIYMILKEXOG,UXBLZVDNSA,N,Eremopetasitenin A1,FYNKIYMILKEXOG-UXBLZVDNSA-N
HMDB30900,396.160659318,C20H28O6S,COC1C23OC2(CC2CCC(OC(=O)\C=C\SC)C(C)C12C)OC(=O)C3C,"InChI=1S/C20H28O6S/c1-11-14(24-15(21)8-9-27-5)7-6-13-10-19-20(26-19,12(2)16(22)25-19)17(23-4)18(11,13)3/h8-9,11-14,17H,6-7,10H2,1-5H3/b9-8+",ULNGGZOBSDELFB,CMDGGOBGSA,N,Eremopetasitenin A2,ULNGGZOBSDELFB-CMDGGOBGSA-N
HMDB30901,464.186874068,C24H32O7S,CS\C=C/C(=O)OC1CCC2CC34OC3(C(C)C(=O)O4)C(OC(=O)C(\C)=C\C)C2(C)C1C,"InChI=1S/C24H32O7S/c1-7-13(2)19(26)29-21-22(5)14(3)17(28-18(25)10-11-32-6)9-8-16(22)12-23-24(21,31-23)15(4)20(27)30-23/h7,10-11,14-17,21H,8-9,12H2,1-6H3/b11-10-,13-7+",DDMWYCBISCBTIJ,PCGFSOLGSA,N,Eremopetasitenin B2,DDMWYCBISCBTIJ-PCGFSOLGSA-N
HMDB30902,960.529380378,C48H80O19,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3=CC(O)C21C,"InChI=1S/C48H80O19/c1-21(2)10-9-13-47(7,67-42-39(61)36(58)33(55)25(19-50)63-42)22-11-15-46(6)31(22)23(52)16-28-45(5)14-12-30(44(3,4)27(45)17-29(53)48(28,46)8)65-43-40(37(59)34(56)26(20-51)64-43)66-41-38(60)35(57)32(54)24(18-49)62-41/h10,17,22-26,28-43,49-61H,9,11-16,18-20H2,1-8H3",BJTRHGSEMPBIPZ,UHFFFAOYSA,N,Notoginsenoside G,BJTRHGSEMPBIPZ-UHFFFAOYSA-N
HMDB30903,178.062994186,C10H10O3,CC1=CC=C(C=C1)C1OC1C(O)=O,"InChI=1S/C10H10O3/c1-6-2-4-7(5-3-6)8-9(13-8)10(11)12/h2-5,8-9H,1H3,(H,11,12)",KYFKCKUXXZSOTF,UHFFFAOYSA,N,3-(4-Methylphenyl)oxiranecarboxylic acid,KYFKCKUXXZSOTF-UHFFFAOYSA-N
HMDB30904,204.115029756,C13H16O2,COC1=CC=C(\C=C\C(=O)C(C)C)C=C1,"InChI=1S/C13H16O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3/b9-6+",ZIXVMEYRFPMOAV,RMKNXTFCSA,N,"alpha,alpha-Dimethylanisalacetone",ZIXVMEYRFPMOAV-RMKNXTFCSA-N
HMDB30905,190.099379692,C12H14O2,CCC(=O)\C=C\C1=CC=C(OC)C=C1,"InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+",SLDQOBRACOQXGE,QPJJXVBHSA,N,1-(4-Methoxyphenyl)-1-penten-3-one,SLDQOBRACOQXGE-QPJJXVBHSA-N
HMDB30906,146.08439833,C9H10N2,CC1=CN=C(C)C2=CC=CN12,"InChI=1S/C9H10N2/c1-7-6-10-8(2)9-4-3-5-11(7)9/h3-6H,1-2H3",FRKUPFZWTZZLGN,UHFFFAOYSA,N,"1,4-Dimethylpyrrolo[1,2-a]pyrazine",FRKUPFZWTZZLGN-UHFFFAOYSA-N
HMDB30907,146.08439833,C9H10N2,CC1=C(C)N2C=CC=C2C=N1,"InChI=1S/C9H10N2/c1-7-8(2)11-5-3-4-9(11)6-10-7/h3-6H,1-2H3",RWOJBYQXLMZJMR,UHFFFAOYSA,N,"3,4-Dimethylpyrrolo[1,2-a]pyrazine",RWOJBYQXLMZJMR-UHFFFAOYSA-N
HMDB30908,146.08439833,C9H10N2,CC1=CN2C=CC=C2C(C)=N1,"InChI=1S/C9H10N2/c1-7-6-11-5-3-4-9(11)8(2)10-7/h3-6H,1-2H3",OZKVDBMWPNGAHE,UHFFFAOYSA,N,"1,3-Dimethylpyrrolo[1,2-a]pyrazine",OZKVDBMWPNGAHE-UHFFFAOYSA-N
HMDB30909,460.282489012,C27H40O6,CC1C2C(CC3C4CC5OC(=O)CC5C(C)(CC(O)=O)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C27H40O6/c1-14-5-8-27(31-13-14)15(2)24-21(33-27)10-18-16-9-20-19(11-23(30)32-20)26(4,12-22(28)29)17(16)6-7-25(18,24)3/h14-21,24H,5-13H2,1-4H3,(H,28,29)",OTCSBULKTTUVHL,UHFFFAOYSA,N,"2,3-Secoporrigenin",OTCSBULKTTUVHL-UHFFFAOYSA-N
HMDB30910,248.141244506,C15H20O3,CC1CC(O)CC2(C)CC3OC(=O)C(=C)C3C=C12,"InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,10-11,13,16H,2,4,6-7H2,1,3H3",FZSKLHDEGWSLTB,UHFFFAOYSA,N,2alpha-Hydroxyalantolactone,FZSKLHDEGWSLTB-UHFFFAOYSA-N
HMDB30911,246.125594442,C15H18O3,CC1CC(=O)CC2(C)CC3OC(=O)C(=C)C3C=C12,"InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,11,13H,2,4,6-7H2,1,3H3",DSTJGYCTYZXZNH,UHFFFAOYSA,N,"2-Oxo-5,11(13)-eudesmadien-12,8-olide",DSTJGYCTYZXZNH-UHFFFAOYSA-N
HMDB30912,426.386166222,C30H50O,CC(C)C(=C)CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,"InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-12-13-24-22-11-14-26-28(5,6)27(31)16-18-30(26,8)25(22)15-17-29(23,24)7/h19,21,23-24,26-27,31H,3,9-18H2,1-2,4-8H3",UEWBRSZKEWLYPN,UHFFFAOYSA,N,"(3beta,5alpha)-4,4-Dimethylergosta-8,24(28)-dien-3-ol",UEWBRSZKEWLYPN-UHFFFAOYSA-N
HMDB30913,446.303224454,C27H42O5,CC1C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)OC11CC(O)C(C)CO1,"InChI=1S/C27H42O5/c1-14-13-31-27(12-21(14)29)15(2)24-22(32-27)11-20-18-6-5-16-9-17(28)10-23(30)26(16,4)19(18)7-8-25(20,24)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3",MHNJMWLWHYJLNF,UHFFFAOYSA,N,Cepagenin,MHNJMWLWHYJLNF-UHFFFAOYSA-N
HMDB30914,724.403392006,C38H60O13,CC1C2C(CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC23C)OC11CC(O)C(C)CO1,"InChI=1S/C38H60O13/c1-16-14-47-38(13-24(16)40)17(2)28-26(51-38)12-23-21-7-6-19-10-20(39)11-27(37(19,5)22(21)8-9-36(23,28)4)49-35-33(30(43)25(41)15-46-35)50-34-32(45)31(44)29(42)18(3)48-34/h6,16-18,20-35,39-45H,7-15H2,1-5H3",CEUOJNPNKKLCDB,UHFFFAOYSA,N,Alliospiroside C,CEUOJNPNKKLCDB-UHFFFAOYSA-N
HMDB30915,754.413956692,C39H62O14,CC1C2C(CC3C4CC=C5CC(O)CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC23C)OC11CC(O)C(C)CO1,"InChI=1S/C39H62O14/c1-16-15-48-39(13-24(16)42)17(2)28-25(53-39)12-23-21-7-6-19-10-20(41)11-27(38(19,5)22(21)8-9-37(23,28)4)51-36-34(32(46)30(44)26(14-40)50-36)52-35-33(47)31(45)29(43)18(3)49-35/h6,16-18,20-36,40-47H,7-15H2,1-5H3",WPICZBAEKPIRLJ,UHFFFAOYSA,N,Alliospiroside D,WPICZBAEKPIRLJ-UHFFFAOYSA-N
HMDB30916,236.177630012,C15H24O2,CC(C)C1C(O)CC(C)C11CC=C(C)C(=O)C1,"InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11-12,14,16H,6-8H2,1-4H3",ADNFCKCPNFGLCH,UHFFFAOYSA,N,2-Hydroxyacorenone,ADNFCKCPNFGLCH-UHFFFAOYSA-N
HMDB30917,250.15689457,C15H22O3,CC(C)C1(O)C(=O)CC(C)C11CC=C(C)C(=O)C1,"InChI=1S/C15H22O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h5,9,11,18H,6-8H2,1-4H3",PUPNOMJEHZIMFF,UHFFFAOYSA,N,1-Hydroxyacorenone,PUPNOMJEHZIMFF-UHFFFAOYSA-N
HMDB30918,252.172544634,C15H24O3,CC(C)C1(O)C(=O)CC(C)C11CCC(C)C(=O)C1,"InChI=1S/C15H24O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h9-11,18H,5-8H2,1-4H3",LSSIJCQOMTUIIN,UHFFFAOYSA,N,1-Hydroxyepiacorone,LSSIJCQOMTUIIN-UHFFFAOYSA-N
HMDB30919,252.172544634,C15H24O3,CC(C)C1CCC2(C)C(O)CC(O)C(C)=C2C1=O,"InChI=1S/C15H24O3/c1-8(2)10-5-6-15(4)12(17)7-11(16)9(3)13(15)14(10)18/h8,10-12,16-17H,5-7H2,1-4H3",XMGSOQRMWQXOKH,UHFFFAOYSA,N,Acorusdiol,XMGSOQRMWQXOKH-UHFFFAOYSA-N
HMDB30920,236.177630012,C15H24O2,CC(C)C1CCC2(C)C(O)CCC(C)=C2C1=O,"InChI=1S/C15H24O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-12,16H,5-8H2,1-4H3",SZNXJUGSSOHWJM,UHFFFAOYSA,N,Acorusnol,SZNXJUGSSOHWJM-UHFFFAOYSA-N
HMDB30921,226.193280076,C14H26O2,CC1CCCCCCCCCCCC(=O)O1,"InChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h13H,2-12H2,1H3",FGDBANZBXSVCEG,UHFFFAOYSA,N,(R)-14-Methyloxacyclotetradecan-2-one,FGDBANZBXSVCEG-UHFFFAOYSA-N
HMDB30922,300.136159128,C18H20O4,C\C=C/C#CC#C\C=C\C=C\C(CCOC(C)=O)OC(C)=O,"InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4-,11-10+,13-12+",PGHCYQUSYHWJAI,YSQYCKBNSA,N,"1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne",PGHCYQUSYHWJAI-YSQYCKBNSA-N
HMDB30924,212.214015518,C14H28O,CCCCCCCCCCCCC(C)=O,"InChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3",POQLVOYRGNFGRM,UHFFFAOYSA,N,2-Tetradecanone,POQLVOYRGNFGRM-UHFFFAOYSA-N
HMDB30925,452.459331164,C30H60O2,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)",VHOCUJPBKOZGJD,UHFFFAOYSA,N,Melissic acid A,VHOCUJPBKOZGJD-UHFFFAOYSA-N
HMDB30926,246.198365454,C17H26O,C=CCCCCCCCCC\C=C/C1=CC=CO1,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,12-16H,1,3-11H2/b14-12-",MGNABOKOTWYILU,OWBHPGMISA,N,Avocadienofuran,MGNABOKOTWYILU-OWBHPGMISA-N
HMDB30927,246.198365454,C17H26O,C=CCCCCCCCC\C=C\CC1=CC=CO1,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,11-13,15-16H,1,3-10,14H2/b12-11+",MSYUAPLTGWCVMJ,VAWYXSNFSA,N,Isoavocadienofuran,MSYUAPLTGWCVMJ-VAWYXSNFSA-N
HMDB30928,198.198365454,C13H26O,CCCCCCCCCCCCC=O,"InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3",BGEHHAVMRVXCGR,UHFFFAOYSA,N,Tridecanal,BGEHHAVMRVXCGR-UHFFFAOYSA-N
HMDB30929,168.093900384,C13H12,CCCCC#CC#CC#CC#CC,"InChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H2,1-2H3",MMEHWMNDRAXORE,UHFFFAOYSA,N,"2,4,6,8-Tridecatetrayne",MMEHWMNDRAXORE-UHFFFAOYSA-N
HMDB30930,182.203450832,C13H26,CCCCCCCCCCCC=C,"InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3",VQOXUMQBYILCKR,UHFFFAOYSA,N,1-Tridecene,VQOXUMQBYILCKR-UHFFFAOYSA-N
HMDB30931,186.10446507,C13H14O,CCCCC#CC#CC#C\C=C\CO,"InChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12,14H,2-4,13H2,1H3/b12-11+",FMSLWOPQZBZTPK,VAWYXSNFSA,N,"(E)-2-Tridecene-4,6,8-triyn-1-ol",FMSLWOPQZBZTPK-VAWYXSNFSA-N
HMDB30932,248.214015518,C17H28O,C=CCCCCCCCCCCCC1=CC=CO1,"InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,13,15-16H,1,3-12,14H2",KNKVJBRMGKXDGO,UHFFFAOYSA,N,Avocadenofuran,KNKVJBRMGKXDGO-UHFFFAOYSA-N
HMDB30933,246.198365454,C17H26O,C#CCCCCCCCCCCCC1=CC=CO1,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h1,13,15-16H,3-12,14H2",ONYOTXAYIZRIPJ,UHFFFAOYSA,N,Avocadynofuran,ONYOTXAYIZRIPJ-UHFFFAOYSA-N
HMDB30934,359.085245769,C14H17NO10,OCC1OC(O\C(C#N)=C(/CC(O)=O)\C=C\C(O)=O)C(O)C(O)C1O,"InChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1+,7-6-",LABCALMTQNDOAI,RPRRTJJHSA,N,Triglochinin,LABCALMTQNDOAI-RPRRTJJHSA-N
HMDB30935,332.256274262,C18H36O5,CCCCCC(O)CCC(O)C(O)CCCCCCCC(O)=O,"InChI=1S/C18H36O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h15-17,19-21H,2-14H2,1H3,(H,22,23)",CDWBHGXGXFTKRD,UHFFFAOYSA,N,"9,10,13-Trihydroxystearic acid",CDWBHGXGXFTKRD-UHFFFAOYSA-N
HMDB30936,330.240624198,C18H34O5,CCCCCCC(O)C\C=C\C(O)CCC(O)CCCC(O)=O,"InChI=1S/C18H34O5/c1-2-3-4-5-8-15(19)9-6-10-16(20)13-14-17(21)11-7-12-18(22)23/h6,10,15-17,19-21H,2-5,7-9,11-14H2,1H3,(H,22,23)/b10-6+",LGADJSRSYLFTSG,UXBLZVDNSA,N,"5,8,12-Trihydroxy-9-octadecenoic acid",LGADJSRSYLFTSG-UXBLZVDNSA-N
HMDB30937,520.558316926,C36H72O,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCC,"InChI=1S/C36H72O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36(37)34-6-4-2/h3-35H2,1-2H3",ACHLEYSDMHROKR,UHFFFAOYSA,N,5-Hexatriacontanone,ACHLEYSDMHROKR-UHFFFAOYSA-N
HMDB30938,222.198365454,C15H26O,CCCCCCCCCC\C=C\C=C/C=O,"InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h11-15H,2-10H2,1H3/b12-11+,14-13-",WJGSBYJVUWVJLB,WCYNZMGESA,N,beta-Triticene,WJGSBYJVUWVJLB-WCYNZMGESA-N
HMDB30939,222.198365454,C15H26O,CCCCCCCCCCC(=C)\C=C/C=O,"InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-12-15(2)13-11-14-16/h11,13-14H,2-10,12H2,1H3/b13-11-",STNNDCBSPFQUIQ,QBFSEMIESA,N,alpha-Triticene,STNNDCBSPFQUIQ-QBFSEMIESA-N
HMDB30940,606.485939844,C37H66O6,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3",URLVCROWVOSNPT,UHFFFAOYSA,N,Squamocin L,URLVCROWVOSNPT-UHFFFAOYSA-N
HMDB30941,170.167065326,C11H22O,CCCCCCCCCCC=O,"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3",KMPQYAYAQWNLME,UHFFFAOYSA,N,Undecanal,KMPQYAYAQWNLME-UHFFFAOYSA-N
HMDB30942,172.18271539,C11H24O,CCCCCCCCCC(C)O,"InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3",XMUJIPOFTAHSOK,UHFFFAOYSA,N,2-Undecanol,XMUJIPOFTAHSOK-UHFFFAOYSA-N
HMDB30943,170.167065326,C11H22O,CCCCCC(=O)CCCCC,"InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3",ZPQAKYPOZRXKFA,UHFFFAOYSA,N,6-Undecanone,ZPQAKYPOZRXKFA-UHFFFAOYSA-N
HMDB30944,150.140850576,C11H18,CCCCC\C=C/C=C/C=C,"InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3/b7-5+,11-9-",JQQDKNVOSLONRS,STRRHFTISA,N,Cystophorene,JQQDKNVOSLONRS-STRRHFTISA-N
HMDB30945,196.146329884,C12H20O2,CCCCCCCCC#CC(=O)OC,"InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3",YPUZOJRRZPRXNV,UHFFFAOYSA,N,Methyl 2-undecynoate,YPUZOJRRZPRXNV-UHFFFAOYSA-N
HMDB30946,244.073558872,C14H12O4,CC\C=C/C#CC(=O)C1=CC=C(O1)\C=C/C(O)=O,"InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3-,10-8-",ZLZFXXJOALTVDA,YHOGECKDSA,N,"(2E,11Z)-Wyerone acid",ZLZFXXJOALTVDA-YHOGECKDSA-N
HMDB30947,258.089208936,C15H14O4,CC\C=C/C#CC(=O)C1=CC=C(O1)\C=C/C(=O)OC,"InChI=1S/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-9-",NQZCQIDFBYCBAU,JXWPTCDWSA,N,Wyerone,NQZCQIDFBYCBAU-JXWPTCDWSA-N
HMDB30948,260.104859,C15H16O4,CCCCC#CC(=O)C1=CC=C(O1)\C=C/C(=O)OC,"InChI=1S/C15H16O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h8-11H,3-5H2,1-2H3/b11-9-",YFUCCGZVKDFREC,LUAWRHEFSA,N,Dihydrowyerone,YFUCCGZVKDFREC-LUAWRHEFSA-N
HMDB30949,274.084123558,C15H14O5,CCC1OC1C#CC(=O)C1=CC=C(O1)\C=C/C(=O)OC,"InChI=1S/C15H14O5/c1-3-12-14(20-12)8-6-11(16)13-7-4-10(19-13)5-9-15(17)18-2/h4-5,7,9,12,14H,3H2,1-2H3/b9-5-",FRIBCHAVILXSND,UITAMQMPSA,N,Wyerone epoxide,FRIBCHAVILXSND-UITAMQMPSA-N
HMDB30950,294.219494826,C18H30O3,CCC1OC1C\C=C/C\C=C\CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-16-17(21-16)14-12-10-8-6-4-3-5-7-9-11-13-15-18(19)20/h4,6,10,12,16-17H,2-3,5,7-9,11,13-15H2,1H3,(H,19,20)/b6-4+,12-10-",HKSDVVJONLXYKL,ZFILXNNPSA,N,"15,16-Epoxy-9,12-octadecadienoic acid",HKSDVVJONLXYKL-ZFILXNNPSA-N
HMDB30951,223.193614427,C14H25NO,CCCCC\C=C/C=C/C(/O)=N/CC(C)C,"InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8-,11-10+",MAGQQZHFHJDIRE,QNRZBPGKSA,N,"(E,E)-2,4-Decadienoic isobutylamide",MAGQQZHFHJDIRE-QNRZBPGKSA-N
HMDB30952,100.088815006,C6H12O,CCC\C=C\CO,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+",ZCHHRLHTBGRGOT,SNAWJCMRSA,N,2-Hexen-1-ol,ZCHHRLHTBGRGOT-SNAWJCMRSA-N
HMDB30953,389.365765131,C26H47NO,CCCCCCCCCCC\C=C/CCCC\C=C/C=C\C(\O)=N\CC(C)C,"InChI=1S/C26H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27-24-25(2)3/h14-15,20-23,25H,4-13,16-19,24H2,1-3H3,(H,27,28)/b15-14-,21-20-,23-22-",KDMZDJSBTQFEKT,RUAVVDHUSA,N,Filfiline,KDMZDJSBTQFEKT-RUAVVDHUSA-N
HMDB30954,508.52193142,C34H68O2,CCCCCCCCCCCCC(O)CCCCCCCCC(=O)CCCCCCCCCCCC,"InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-21-25-29-33(35)31-27-23-19-20-24-28-32-34(36)30-26-22-18-16-14-12-10-8-6-4-2/h33,35H,3-32H2,1-2H3",LJBLOIRMOMZGOI,UHFFFAOYSA,N,Grewinol,LJBLOIRMOMZGOI-UHFFFAOYSA-N
HMDB30955,247.193614427,C16H25NO,C\C=C/C=C/C=C\CC\C=C\C(\O)=N\CC(C)C,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4-,7-6+,9-8-,13-12+",SBXYHCVXUCYYJT,JRNWQWJGSA,N,Neoherculin,SBXYHCVXUCYYJT-JRNWQWJGSA-N
HMDB30956,376.334130652,C25H44O2,CCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3",PUNOCEUUYUXUGR,UHFFFAOYSA,N,"5-Nonadecyl-1,3-benzenediol",PUNOCEUUYUXUGR-UHFFFAOYSA-N
HMDB30957,140.120115134,C9H16O,CC\C=C/C\C=C/CCO,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6-",PICGPEBVZGCYBV,CWWKMNTPSA,N,"(3Z,6Z)-3,6-Nonadien-1-ol",PICGPEBVZGCYBV-CWWKMNTPSA-N
HMDB30958,140.120115134,C9H16O,CC\C=C/CCCCC=O,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,9H,2,5-8H2,1H3/b4-3-",RTNPCOBSXBGDMO,ARJAWSKDSA,N,(Z)-6-Nonenal,RTNPCOBSXBGDMO-ARJAWSKDSA-N
HMDB30959,142.135765198,C9H18O,CCCCC\C=C/CCO,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6-",IFTBJDZSLBRRMC,SREVYHEPSA,N,(Z)-3-Nonen-1-ol,IFTBJDZSLBRRMC-SREVYHEPSA-N
HMDB30960,308.23514489,C19H32O3,CCCCCCCCCCCCC\C=C1\C(O)C(=C)OC1=O,"InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15-",FCLYKYQBTSMTJB,ICFOKQHNSA,N,Obtusilactone A,FCLYKYQBTSMTJB-ICFOKQHNSA-N
HMDB30961,126.10446507,C8H14O,CCCCC\C=C/C=O,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6-",LVBXEMGDVWVTGY,SREVYHEPSA,N,2-Octenal,LVBXEMGDVWVTGY-SREVYHEPSA-N
HMDB30962,278.224580204,C18H30O2,CCCCC\C=C/C=C/C=C/CCCCCCC(O)=O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10+",DQGMPXYVZZCNDQ,KBPWROHVSA,N,Calendic acid,DQGMPXYVZZCNDQ-KBPWROHVSA-N
HMDB30963,278.224580204,C18H30O2,CCCC\C=C\C=C/C=C/CCCCCCCC(O)=O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7-,10-9+",CUXYLFPMQMFGPL,MRZTUZPCSA,N,Punicic acid,CUXYLFPMQMFGPL-MRZTUZPCSA-N
HMDB30964,278.224580204,C18H30O2,CCC=CCC=CCC=CCCCCCCCC(O)=O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)",DTOSIQBPPRVQHS,UHFFFAOYSA,N,Linolenelaidic acid,DTOSIQBPPRVQHS-UHFFFAOYSA-N
HMDB30965,266.26096571,C18H34O,CCCCCCCC\C=C\CCCCCCCC=O,"InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+",ZENZJGDPWWLORF,MDZDMXLPSA,N,9-Octadecenal,ZENZJGDPWWLORF-MDZDMXLPSA-N
HMDB30966,126.10446507,C8H14O,CC\C=C\CC(O)C=C,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3/b6-5+",APFBWMGEGSELQP,AATRIKPKSA,N,"(3xi,5Z)-1,5-Octadien-3-ol",APFBWMGEGSELQP-AATRIKPKSA-N
HMDB30967,132.021129372,C8H4O2,CC#CC#CC#CC(O)=O,"InChI=1S/C8H4O2/c1-2-3-4-5-6-7-8(9)10/h1H3,(H,9,10)",GYUOOLGIYHUJRP,UHFFFAOYSA,N,"2,4,6-Octatriynoic acid",GYUOOLGIYHUJRP-UHFFFAOYSA-N
HMDB30968,118.041864814,C8H6O,CC#CC#CC#CCO,"InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h9H,8H2,1H3",CDDRQTICNABTAT,UHFFFAOYSA,N,"2,4,6-Octatriyn-1-ol",CDDRQTICNABTAT-UHFFFAOYSA-N
HMDB30969,832.751990932,C53H100O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,50H,4-24,27-49H2,1-3H3/b26-25+",FDCOHGHEADZEGF,OCEACIFDSA,N,"Glycerol 1,3-dihexadecanoate 2-(9Z-octadecenoate)",FDCOHGHEADZEGF-OCEACIFDSA-N
HMDB30970,888.814591188,C57H108O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,54H,4-26,28-29,31-53H2,1-3H3/b30-27+",RBLADLVPSYELCA,KDJFERLWSA,N,"Glycerol 1,3-dioctadecanoate 2-(9Z-octadecenoate)",RBLADLVPSYELCA-KDJFERLWSA-N
HMDB30972,270.219494826,C16H30O3,CCCCCCCCC(=O)CCCCCCC(O)=O,"InChI=1S/C16H30O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)",SEWAOKNHYLYQEL,UHFFFAOYSA,N,8-Oxohexadecanoic acid,SEWAOKNHYLYQEL-UHFFFAOYSA-N
HMDB30973,270.219494826,C16H30O3,CCCCCCCC(=O)CCCCCCCC(O)=O,"InChI=1S/C16H30O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)",KHCDPAZLBSPVSE,UHFFFAOYSA,N,9-Oxohexadecanoic acid,KHCDPAZLBSPVSE-UHFFFAOYSA-N
HMDB30974,278.188194698,C17H26O3,CC(C)C1C(CC(C)C11CC=C(C)C(=O)C1)OC(C)=O,"InChI=1S/C17H26O3/c1-10(2)16-15(20-13(5)18)8-12(4)17(16)7-6-11(3)14(19)9-17/h6,10,12,15-16H,7-9H2,1-5H3",LDEHIZSFHFOEKN,UHFFFAOYSA,N,8-Acetoxy-4-acoren-3-one,LDEHIZSFHFOEKN-UHFFFAOYSA-N
HMDB30975,400.173332494,C19H28O9,CC1=CC(=O)CC(C)(C)C1(O)\C=C\C(=O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H28O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,13-17,20,23-26H,7-9H2,1-3H3/b5-4+",FUXBESIRIBMOMU,SNAWJCMRSA,N,Corchoionoside B,FUXBESIRIBMOMU-SNAWJCMRSA-N
HMDB30976,926.487515564,C47H74O18,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)",DPXMETKXNWBGRI,UHFFFAOYSA,N,Durupcoside B,DPXMETKXNWBGRI-UHFFFAOYSA-N
HMDB30977,926.487515564,C47H74O18,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-35(64-39-32(54)30(52)28(50)23(19-48)60-39)33(55)34(36(65-40)37(56)57)63-38-31(53)29(51)24(20-49)61-38/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)",LEMZAMJTVJRKGV,UHFFFAOYSA,N,Durupcoside A,LEMZAMJTVJRKGV-UHFFFAOYSA-N
HMDB30978,270.219494826,C16H30O3,CCCCCC(=O)CCCCCCCCCC(O)=O,"InChI=1S/C16H30O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)",ANQQVTWQIBPDKQ,UHFFFAOYSA,N,11-Oxohexadecanoic acid,ANQQVTWQIBPDKQ-UHFFFAOYSA-N
HMDB30979,298.250794954,C18H34O3,CCCCCCCCCC(=O)CCCCCCCC(O)=O,"InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)",KNYQSFOUGYMRDE,UHFFFAOYSA,N,9-Oxooctadecanoic acid,KNYQSFOUGYMRDE-UHFFFAOYSA-N
HMDB30980,298.250794954,C18H34O3,CCCCCCCCC(=O)CCCCCCCCC(O)=O,"InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)",BGKROBBCCGUUCF,UHFFFAOYSA,N,10-Oxooctadecanoic acid,BGKROBBCCGUUCF-UHFFFAOYSA-N
HMDB30981,298.250794954,C18H34O3,CCCCCCCC(=O)CCCCCCCCCC(O)=O,"InChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)",ZWXGGJPQIPPKPP,UHFFFAOYSA,N,11-Oxooctadecanoic acid,ZWXGGJPQIPPKPP-UHFFFAOYSA-N
HMDB30982,242.188194698,C14H26O3,CCCCCCCCC(=O)CCCCC(O)=O,"InChI=1S/C14H26O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h2-12H2,1H3,(H,16,17)",FCMLVMXRWKFUTG,UHFFFAOYSA,N,6-Ketomyristic acid,FCMLVMXRWKFUTG-UHFFFAOYSA-N
HMDB30983,318.255880332,C21H34O2,CCCCCC\C=C\CCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7+",TUGAUFMQYWZJAB,BQYQJAHWSA,N,"5-(8-Pentadecenyl)-1,3-benzenediol",TUGAUFMQYWZJAB-BQYQJAHWSA-N
HMDB30984,214.120509064,C11H18O4,CCCCCCC1CC(C(O)=O)C(=O)O1,"InChI=1S/C11H18O4/c1-2-3-4-5-6-8-7-9(10(12)13)11(14)15-8/h8-9H,2-7H2,1H3,(H,12,13)",ZHNHBUOFMLNZNN,UHFFFAOYSA,N,5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid,ZHNHBUOFMLNZNN-UHFFFAOYSA-N
HMDB30985,214.120509064,C11H18O4,CCCCCC1CCC(C(O)=O)C(=O)O1,"InChI=1S/C11H18O4/c1-2-3-4-5-8-6-7-9(10(12)13)11(14)15-8/h8-9H,2-7H2,1H3,(H,12,13)",UYZBRJHRPDMUHS,UHFFFAOYSA,N,alpha-Carboxy-delta-decalactone,UYZBRJHRPDMUHS-UHFFFAOYSA-N
HMDB30986,214.120509064,C11H18O4,CC(C)CC(C)C1CC(C(O)=O)C(=O)O1,"InChI=1S/C11H18O4/c1-6(2)4-7(3)9-5-8(10(12)13)11(14)15-9/h6-9H,4-5H2,1-3H3,(H,12,13)",FEFSWWMYJINUMK,UHFFFAOYSA,N,"2-Carboxy-5,7-dimethyl-4-octanolide",FEFSWWMYJINUMK-UHFFFAOYSA-N
HMDB30987,242.151809192,C13H22O4,CCCCCCCCC1CC(C(O)=O)C(=O)O1,"InChI=1S/C13H22O4/c1-2-3-4-5-6-7-8-10-9-11(12(14)15)13(16)17-10/h10-11H,2-9H2,1H3,(H,14,15)",FMXVFWDIAZJILA,UHFFFAOYSA,N,2-Carboxy-4-dodecanolide,FMXVFWDIAZJILA-UHFFFAOYSA-N
HMDB30988,186.089208936,C9H14O4,CC(C)CC1CC(C(O)=O)C(=O)O1,"InChI=1S/C9H14O4/c1-5(2)3-6-4-7(8(10)11)9(12)13-6/h5-7H,3-4H2,1-2H3,(H,10,11)",ODKYFEYTVOPOOV,UHFFFAOYSA,N,5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid,ODKYFEYTVOPOOV-UHFFFAOYSA-N
HMDB30989,200.104859,C10H16O4,CCCCCC1CC(C(O)=O)C(=O)O1,"InChI=1S/C10H16O4/c1-2-3-4-5-7-6-8(9(11)12)10(13)14-7/h7-8H,2-6H2,1H3,(H,11,12)",RXLCOVRNIXYZMX,UHFFFAOYSA,N,5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid,RXLCOVRNIXYZMX-UHFFFAOYSA-N
HMDB30990,200.104859,C10H16O4,CCCCC1CCC(C(O)=O)C(=O)O1,"InChI=1S/C10H16O4/c1-2-3-4-7-5-6-8(9(11)12)10(13)14-7/h7-8H,2-6H2,1H3,(H,11,12)",AVHURGYCHVYRHG,UHFFFAOYSA,N,alpha-Carboxy-delta-nonalactone,AVHURGYCHVYRHG-UHFFFAOYSA-N
HMDB30991,198.089208936,C10H14O4,C\C=C\CCC1CC(C(O)=O)C(=O)O1,"InChI=1S/C10H14O4/c1-2-3-4-5-7-6-8(9(11)12)10(13)14-7/h2-3,7-8H,4-6H2,1H3,(H,11,12)/b3-2+",KHWZQNGOXILAEN,NSCUHMNNSA,N,5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid,KHWZQNGOXILAEN-NSCUHMNNSA-N
HMDB30992,186.089208936,C9H14O4,CCCCC1CC(C(O)=O)C(=O)O1,"InChI=1S/C9H14O4/c1-2-3-4-6-5-7(8(10)11)9(12)13-6/h6-7H,2-5H2,1H3,(H,10,11)",XCIYLBHMPNYNTF,UHFFFAOYSA,N,5-Butyltetrahydro-2-oxo-3-furancarboxylic acid,XCIYLBHMPNYNTF-UHFFFAOYSA-N
HMDB30993,256.167459256,C14H24O4,CCCCCCCCCC1CC(C(O)=O)C(=O)O1,"InChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-11-10-12(13(15)16)14(17)18-11/h11-12H,2-10H2,1H3,(H,15,16)",DKQLZKCYTLXNBN,UHFFFAOYSA,N,5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid,DKQLZKCYTLXNBN-UHFFFAOYSA-N
HMDB30994,228.136159128,C12H20O4,CCCCCCCC1CC(C(O)=O)C(=O)O1,"InChI=1S/C12H20O4/c1-2-3-4-5-6-7-9-8-10(11(13)14)12(15)16-9/h9-10H,2-8H2,1H3,(H,13,14)",FCCIDBCBPCNABK,UHFFFAOYSA,N,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid,FCCIDBCBPCNABK-UHFFFAOYSA-N
HMDB30995,294.219494826,C18H30O3,CCCCC\C=C/C=C/O\C=C\CCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",HHZKKFXQEIBVEV,CXXUKANQSA,N,"(2'E,4'Z,8E)-Colneleic acid",HHZKKFXQEIBVEV-CXXUKANQSA-N
HMDB30996,292.203844762,C18H28O3,CC\C=C/C\C=C/C=C/O\C=C\CCCCCCC(O)=O,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",OYKAXBUWOIRLGF,VMBRNALUSA,N,"(2'E,4'Z,7'Z,8E)-Colnelenic acid",OYKAXBUWOIRLGF-VMBRNALUSA-N
HMDB30997,268.240230268,C17H32O2,OC(=O)CCCCCCCCCCC1CCCCC1,"InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)",WFTPSUGFEZHCGU,UHFFFAOYSA,N,Cyclohexaneundecanoic acid,WFTPSUGFEZHCGU-UHFFFAOYSA-N
HMDB30998,200.177630012,C12H24O2,CCCCCCCCCC(=O)OCC,"InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3",RGXWDWUGBIJHDO,UHFFFAOYSA,N,Ethyl decanoate,RGXWDWUGBIJHDO-UHFFFAOYSA-N
HMDB30999,154.135765198,C10H18O,CCCCCCC\C=C\C=O,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+",MMFCJPPRCYDLLZ,CMDGGOBGSA,N,2-Decenal,MMFCJPPRCYDLLZ-CMDGGOBGSA-N
HMDB31000,232.146329884,C15H20O2,C\C=C/C#CC#CCCCOC(=O)CC(C)C,"InChI=1S/C15H20O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,14H,10-13H2,1-3H3/b5-4-",KWRUHFXUFNAAJG,PLNGDYQASA,N,"(Z)-8-Decene-4,6-diyn-1-yl 3-methylbutanoate",KWRUHFXUFNAAJG-PLNGDYQASA-N
HMDB31001,144.057514878,C10H8O,CC#CC#CC#C\C=C\CO,"InChI=1S/C10H8O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,10H2,1H3/b9-8+",JTVVPVMSFPTJLN,CMDGGOBGSA,N,"(Z)-2-Decene-4,6,8-triyn-1-ol",JTVVPVMSFPTJLN-CMDGGOBGSA-N
HMDB31002,170.13067982,C10H18O2,CCCCCC\C=C/CC(O)=O,"InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7-",CPVUNKGURQKKKX,FPLPWBNLSA,N,3-Decenoic acid,CPVUNKGURQKKKX-FPLPWBNLSA-N
HMDB31003,170.13067982,C10H18O2,OC(=O)CCCCCCCC=C,"InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)",KHAVLLBUVKBTBG,UHFFFAOYSA,N,9-Decenoic acid,KHAVLLBUVKBTBG-UHFFFAOYSA-N
HMDB31004,145.016378345,C8H3NO2,OC(=O)\C=C\C#CC#CC#N,"InChI=1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+",DMGKNZBGIHCAMP,GQCTYLIASA,N,Diatretin 2,DMGKNZBGIHCAMP-GQCTYLIASA-N
HMDB31005,336.266445018,C21H36O3,CCCCCC1=CC(C)=C(CCCCCCCCCCC(O)=O)O1,"InChI=1S/C21H36O3/c1-3-4-11-14-19-17-18(2)20(24-19)15-12-9-7-5-6-8-10-13-16-21(22)23/h17H,3-16H2,1-2H3,(H,22,23)",QDTBMEGPXZUECM,UHFFFAOYSA,N,3-Methyl-5-pentyl-2-furanundecanoic acid,QDTBMEGPXZUECM-UHFFFAOYSA-N
HMDB31006,326.245709576,C19H34O4,CC(=O)OCC(O)CC(=O)CCCCCCCCCCCC=C,"InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h3,19,22H,1,4-16H2,2H3",MSSXBCMVFDVFJB,UHFFFAOYSA,N,1-Acetoxy-2-hydroxy-16-heptadecen-4-one,MSSXBCMVFDVFJB-UHFFFAOYSA-N
HMDB31007,324.230059512,C19H32O4,CC(=O)OCC(O)CC(=O)CCCCCCCCCCCC#C,"InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,19,22H,4-16H2,2H3",HZHSVQVECJXVRP,UHFFFAOYSA,N,1-Acetoxy-2-hydroxy-16-heptadecyn-4-one,HZHSVQVECJXVRP-UHFFFAOYSA-N
HMDB31008,316.26135964,C18H36O4,CCC(O)C(O)CCCCCCCCCCCCCC(O)=O,"InChI=1S/C18H36O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)",LSFLNLHTOKKPHT,UHFFFAOYSA,N,"(+)-15,16-Dihydroxyoctadecanoic acid",LSFLNLHTOKKPHT-UHFFFAOYSA-N
HMDB31009,320.271530396,C21H36O2,CCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3",KVVSCMOUFCNCGX,UHFFFAOYSA,N,Adipostatin A,KVVSCMOUFCNCGX-UHFFFAOYSA-N
HMDB31010,904.882276822,C59H116O5,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H116O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-58(61)63-56-57(55-60)64-59(62)54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h57,60H,3-56H2,1-2H3",YFICNBBIYKTBLK,UHFFFAOYSA,N,"Glycerol 1,2-dioctacosanoate",YFICNBBIYKTBLK-UHFFFAOYSA-N
HMDB31011,568.506675286,C35H68O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3",GFAZGHREJPXDMH,UHFFFAOYSA,N,"Glycerol 1,3-dihexadecanoate",GFAZGHREJPXDMH-UHFFFAOYSA-N
HMDB31012,624.569275542,C39H76O5,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3",UHUSDOQQWJGJQS,UHFFFAOYSA,N,"Glycerol 1,2-dioctadecanoate",UHUSDOQQWJGJQS-UHFFFAOYSA-N
HMDB31013,338.318480588,C22H42O2,CCCCCCCCCC\C=C\CCCCCCCCCC(O)=O,"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11+",KJDZDTDNIULJBE,VAWYXSNFSA,N,Catelaidic acid,KJDZDTDNIULJBE-VAWYXSNFSA-N
HMDB31014,210.161979948,C13H22O2,CCCCC\C=C/CC\C=C\C(=O)OC,"InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7-,12-11+",IYSZVOVZPVKXIJ,OFALOCIGSA,N,"Methyl (2E,6Z)-dodecadienoate",IYSZVOVZPVKXIJ-OFALOCIGSA-N
HMDB31015,224.177630012,C14H24O2,CCCCC\C=C/CC\C=C\C(=O)OCC,"InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8-,13-12+",AASSLPGKTZCKLS,YILALFFRSA,N,"Ethyl (2E,6Z)-dodecadienoate",AASSLPGKTZCKLS-YILALFFRSA-N
HMDB31016,170.167065326,C11H22O,OCCCCCCCCCC=C,"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2",GIEMHYCMBGELGY,UHFFFAOYSA,N,10-Undecen-1-ol,GIEMHYCMBGELGY-UHFFFAOYSA-N
HMDB31017,212.177630012,C13H24O2,CC(=O)OCCCCCCCCCC=C,"InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3H,1,4-12H2,2H3",VCVAXEYHJAFRGM,UHFFFAOYSA,N,10-Undecenyl acetate,VCVAXEYHJAFRGM-UHFFFAOYSA-N
HMDB31018,214.193280076,C13H26O2,CCCCCCCCCCCC(=O)OC,"InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3",UQDUPQYQJKYHQI,UHFFFAOYSA,N,Methyl dodecanoate,UQDUPQYQJKYHQI-UHFFFAOYSA-N
HMDB31019,184.18271539,C12H24O,CCCCCCCCCCC(C)=O,"InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3",LSKONYYRONEBKA,UHFFFAOYSA,N,2-Dodecanone,LSKONYYRONEBKA-UHFFFAOYSA-N
HMDB31020,182.167065326,C12H22O,CCCCCCCCC\C=C\C=O,"InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+",SSNZFFBDIMUILS,ZHACJKMWSA,N,2-Dodecenal,SSNZFFBDIMUILS-ZHACJKMWSA-N
HMDB31021,780.465992262,C42H68O13,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-33(31(48)29(46)24(20-44)53-35)55-34-32(49)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)",LEQCLUFJRGKLOA,UHFFFAOYSA,N,Acutoside A,LEQCLUFJRGKLOA-UHFFFAOYSA-N
HMDB31022,956.49808025,C48H76O19,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(67-40-33(56)31(54)29(52)24(20-50)63-40)35(34(57)36(66-41)38(58)59)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)",YDZWHGJRWMQCDP,UHFFFAOYSA,N,Elatoside I,YDZWHGJRWMQCDP-UHFFFAOYSA-N
HMDB31023,1118.514518174,C53H82O25,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C53H82O25/c1-48(2)14-16-53(47(70)78-45-35(63)33(61)31(59)25(20-55)73-45)17-15-51(6)22(23(53)18-48)8-9-27-50(5)12-11-28(49(3,4)26(50)10-13-52(27,51)7)74-46-40(77-44-34(62)32(60)30(58)24(19-54)72-44)38(36(64)39(76-46)42(68)69)75-43(37(65)41(66)67)71-21-29(56)57/h8,23-28,30-40,43-46,54-55,58-65H,9-21H2,1-7H3,(H,56,57)(H,66,67)(H,68,69)",VYVPIFXAYNIMKK,UHFFFAOYSA,N,Achyranthoside D,VYVPIFXAYNIMKK-UHFFFAOYSA-N
HMDB31024,956.461694744,C47H72O20,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H72O20/c1-42(2)14-16-47(41(61)67-39-30(53)29(52)28(51)23(19-48)63-39)17-15-45(6)21(22(47)18-42)8-9-25-44(5)12-11-26(43(3,4)24(44)10-13-46(25,45)7)64-40-32(55)34(31(54)35(66-40)37(59)60)65-38(33(56)36(57)58)62-20-27(49)50/h8,22-26,28-35,38-40,48,51-56H,9-20H2,1-7H3,(H,49,50)(H,57,58)(H,59,60)",GNCYMXULNXKROG,UHFFFAOYSA,N,Achyranthoside C,GNCYMXULNXKROG-UHFFFAOYSA-N
HMDB31025,794.408871314,C41H62O15,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C41H62O15/c1-36(2)14-16-41(35(51)52)17-15-39(6)20(21(41)18-36)8-9-23-38(5)12-11-24(37(3,4)22(38)10-13-40(23,39)7)54-34-27(45)29(26(44)30(56-34)32(49)50)55-33(28(46)31(47)48)53-19-25(42)43/h8,21-24,26-30,33-34,44-46H,9-19H2,1-7H3,(H,42,43)(H,47,48)(H,49,50)(H,51,52)",FHMLSFRFOXEUGU,UHFFFAOYSA,N,Betavulgaroside IV,FHMLSFRFOXEUGU-UHFFFAOYSA-N
HMDB31026,956.49808025,C48H76O19,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)",QZMAEZWZCGBZFK,UHFFFAOYSA,N,Calenduloside H,QZMAEZWZCGBZFK-UHFFFAOYSA-N
HMDB31027,1088.540338994,C53H84O23,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-40(74-43-35(62)30(57)24(56)21-69-43)38(65)39(41(75-46)42(66)67)73-44-36(63)33(60)31(58)25(19-54)70-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)",BQZGQZMBLHLJIO,UHFFFAOYSA,N,Tuberoside B (Ullucus tuberosus),BQZGQZMBLHLJIO-UHFFFAOYSA-N
HMDB31028,212.177630012,C13H24O2,CCCCCCCCC\C=C\C(=O)OC,"InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h11-12H,3-10H2,1-2H3/b12-11+",YWSDDOFJTUOVMX,VAWYXSNFSA,N,Methyl (E)-2-dodecenoate,YWSDDOFJTUOVMX-VAWYXSNFSA-N
HMDB31029,226.193280076,C14H26O2,CCCCCCCCC\C=C\C(=O)OCC,"InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h12-13H,3-11H2,1-2H3/b13-12+",GZXNVYMVJSTRNI,OUKQBFOZSA,N,Ethyl (E)-2-dodecenoate,GZXNVYMVJSTRNI-OUKQBFOZSA-N
HMDB31030,196.146329884,C12H20O2,CCCCCCCC1CC=CC(=O)O1,"InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,10-11H,2-6,8-9H2,1H3",XPTXKXKPWKNYKB,UHFFFAOYSA,N,"6-Heptyl-5,6-dihydro-2H-pyran-2-one",XPTXKXKPWKNYKB-UHFFFAOYSA-N
HMDB31031,326.191565516,C18H30O3S,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP,UHFFFAOYSA,N,2-Dodecylbenzenesulfonic acid,WBIQQQGBSDOWNP-UHFFFAOYSA-N
HMDB31033,349.181335191,C18H30NaO3S,[Na+].CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1",JHJUUEHSAZXEEO,UHFFFAOYSA,N,4-Dodecylbenzenesulfonic acid Na salt,JHJUUEHSAZXEEO-UHFFFAOYSA-N
HMDB31034,522.501195978,C34H66O3,CCCCCCCC(C)CCC(C)CCCCCCCCCCCCCC(O)CC1CC(C)CC(=O)O1,"InChI=1S/C34H66O3/c1-5-6-7-15-18-21-29(2)24-25-30(3)22-19-16-13-11-9-8-10-12-14-17-20-23-32(35)28-33-26-31(4)27-34(36)37-33/h29-33,35H,5-28H2,1-4H3",JYPKFERLDBSINL,UHFFFAOYSA,N,"Tetrahydro-6-(2-hydroxy-16,19-dimethylhexacosyl)-4-methyl-2H-pyran-2-one",JYPKFERLDBSINL-UHFFFAOYSA-N
HMDB31035,404.36543078,C27H48O2,CCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3",BLHLKJLSYHEOGY,UHFFFAOYSA,N,"5-Heneicosyl-1,3-benzenediol",BLHLKJLSYHEOGY-UHFFFAOYSA-N
HMDB31036,450.480066606,C31H62O,CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",UNRFDARCMOHDBJ,UHFFFAOYSA,N,Palmitone,UNRFDARCMOHDBJ-UHFFFAOYSA-N
HMDB31037,396.433116414,C27H56O,CCCCCCCCCCCCCC(O)CCCCCCCCCCCCC,"InChI=1S/C27H56O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3",XHGCEYVOGZHRLW,UHFFFAOYSA,N,14-Heptacosanol,XHGCEYVOGZHRLW-UHFFFAOYSA-N
HMDB31038,302.188194698,C19H26O3,CCCCCCC\C=C\C(O)C#CC#C\C=C/COC(C)=O,"InChI=1S/C19H26O3/c1-3-4-5-6-7-9-12-15-19(21)16-13-10-8-11-14-17-22-18(2)20/h11-12,14-15,19,21H,3-7,9,17H2,1-2H3/b14-11-,15-12+",QTWRNBXHKSYQGK,KMUHKHSISA,N,"(2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate",QTWRNBXHKSYQGK-KMUHKHSISA-N
HMDB31039,254.26096571,C17H34O,CCCCCCCCCCCCCCCCC=O,"InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3",PIYDVAYKYBWPPY,UHFFFAOYSA,N,Heptadecanal,PIYDVAYKYBWPPY-UHFFFAOYSA-N
HMDB31040,254.26096571,C17H34O,CCCCCCCCCCCCCCCC(C)=O,"InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3",TVTCXPXLRKTHAU,UHFFFAOYSA,N,2-Heptadecanone,TVTCXPXLRKTHAU-UHFFFAOYSA-N
HMDB31041,226.172150704,C17H22,C\C=C/C#CC#CC\C=C\CCCCCC=C,"InChI=1S/C17H22/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,15,17H,1,5,7,9,11,13,16H2,2H3/b6-4-,17-15+",OJWVHJFAQCYGMT,LPMQCFACSA,N,"(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne",OJWVHJFAQCYGMT-LPMQCFACSA-N
HMDB31042,286.250794954,C17H34O3,OCC(O)CC(O)CCCCCCCCCCCC=C,"InChI=1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2,16-20H,1,3-15H2",DFEHQWFIOMAGBM,UHFFFAOYSA,N,Avocadene,DFEHQWFIOMAGBM-UHFFFAOYSA-N
HMDB31043,328.26135964,C19H36O4,CC(=O)OCC(O)CC(O)CCCCCCCCCCCC=C,"InChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h3,18-19,21-22H,1,4-16H2,2H3",NLBYRERHXBTBBR,UHFFFAOYSA,N,Avocadene 1-acetate,NLBYRERHXBTBBR-UHFFFAOYSA-N
HMDB31044,328.26135964,C19H36O4,CC(=O)OC(CO)CC(O)CCCCCCCCCCCC=C,"InChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-19(16-20)23-17(2)21/h3,18-20,22H,1,4-16H2,2H3",LUIGTZGBXWZJAX,UHFFFAOYSA,N,Avocadene 2-acetate,LUIGTZGBXWZJAX-UHFFFAOYSA-N
HMDB31045,328.26135964,C19H36O4,CC(=O)OC(CCCCCCCCCCCC=C)CC(O)CO,"InChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(23-17(2)21)15-18(22)16-20/h3,18-20,22H,1,4-16H2,2H3",MFLWBVVCOWPUBA,UHFFFAOYSA,N,Avocadene 4-acetate,MFLWBVVCOWPUBA-UHFFFAOYSA-N
HMDB31046,268.240230268,C17H32O2,CCCCCCC\C=C\CCCCCCCC(O)=O,"InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8+",QSBYPNXLFMSGKH,CMDGGOBGSA,N,(Z)-9-Heptadecenoic acid,QSBYPNXLFMSGKH-CMDGGOBGSA-N
HMDB31047,326.245709576,C19H34O4,CC(=O)OC(CO)CC(O)CCCCCCCCCCCC#C,"InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-19(16-20)23-17(2)21/h1,18-20,22H,4-16H2,2H3",LQFANUWEWSJRJG,UHFFFAOYSA,N,Avocadyne 2-acetate,LQFANUWEWSJRJG-UHFFFAOYSA-N
HMDB31048,326.245709576,C19H34O4,CC(=O)OCC(O)CC(O)CCCCCCCCCCCC#C,"InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3",JAKAZHIACKJNNB,UHFFFAOYSA,N,Avocadyne 1-acetate,JAKAZHIACKJNNB-UHFFFAOYSA-N
HMDB31049,326.245709576,C19H34O4,CC(=O)OC(CCCCCCCCCCCC#C)CC(O)CO,"InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(23-17(2)21)15-18(22)16-20/h1,18-20,22H,4-16H2,2H3",FHGZOCAZNHYWAL,UHFFFAOYSA,N,Avocadyne 4-acetate,FHGZOCAZNHYWAL-UHFFFAOYSA-N
HMDB31050,266.224580204,C17H30O2,CCCCCCCCCCC\C=C/C=C/C(=O)OC,"InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h13-16H,3-12H2,1-2H3/b14-13-,16-15+",ACUIYXOOZPHRRA,DHEZTBRESA,N,"Methyl 2E,4Z-hexadecadienoate",ACUIYXOOZPHRRA-DHEZTBRESA-N
HMDB31051,280.240230268,C18H32O2,CCCCCCCCCCC\C=C/C=C/C(=O)OCC,"InChI=1S/C18H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h14-17H,3-13H2,1-2H3/b15-14-,17-16+",QUHRGXQJTPAPQQ,PEMGLXIVSA,N,"Ethyl 2E,4Z-hexadecadienoate",QUHRGXQJTPAPQQ-PEMGLXIVSA-N
HMDB31052,240.245315646,C16H32O,CCCCCCCCCCCCCCC(C)=O,"InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3",XCXKZBWAKKPFCJ,UHFFFAOYSA,N,2-Hexadecanone,XCXKZBWAKKPFCJ-UHFFFAOYSA-N
HMDB31053,254.224580204,C16H30O2,CCCCCCCCC\C=C\CCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10+",NNNVXFKZMRGJPM,ZHACJKMWSA,N,(E)-6-Hexadecenoic acid,NNNVXFKZMRGJPM-ZHACJKMWSA-N
HMDB31054,176.047344122,C10H8O3,OC\C=C/C#CC#C\C=C\C(O)=O,"InChI=1S/C10H8O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5-8,11H,9H2,(H,12,13)/b7-5-,8-6+",AJSNUBLNFVLJEB,CGXWXWIYSA,N,"10-Hydroxy-2,8-decadiene-4,6-diynoic acid",AJSNUBLNFVLJEB-CGXWXWIYSA-N
HMDB31055,178.062994186,C10H10O3,OC\C=C/C#CC#CCCC(O)=O,"InChI=1S/C10H10O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,6,8-9H2,(H,12,13)/b7-5-",JIPUTTVWDAXSEZ,ALCCZGGFSA,N,"(Z)-10-Hydroxy-8-decene-4,6-diynoic acid",JIPUTTVWDAXSEZ-ALCCZGGFSA-N
HMDB31056,480.454245786,C31H60O3,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC(O)CCCCCCC,"InChI=1S/C31H60O3/c1-3-5-7-9-10-11-12-13-14-15-16-18-21-26-30(33)28-31(34)27-23-19-22-25-29(32)24-20-17-8-6-4-2/h29,32H,3-28H2,1-2H3",RQAJGXOXTHUITK,UHFFFAOYSA,N,"8-Hydroxy-14,16-hentriacontanedione",RQAJGXOXTHUITK-UHFFFAOYSA-N
HMDB31057,272.23514489,C16H32O3,CCCCCCCCCCCCCCC(O)C(O)=O,"InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)",JGHSBPIZNUXPLA,UHFFFAOYSA,N,(R)-2-Hydroxyhexadecanoic acid,JGHSBPIZNUXPLA-UHFFFAOYSA-N
HMDB31058,306.255880332,C20H34O2,CCCCC\C=C\C\C=C\CCCC\C=C/CCCC(O)=O,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11-14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,16-15-",PRHHYVQTPBEDFE,VOXUQRCTSA,N,Sciadonic acid,PRHHYVQTPBEDFE-VOXUQRCTSA-N
HMDB31059,342.219494826,C22H30O3,OC(=O)C1=C(CCCCCCC\C=C\C\C=C\CC=C)C=CC=C1O,"InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4+,8-7+",QUVGEKPNSCFQIR,AOSYACOCSA,N,"2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid",QUVGEKPNSCFQIR-AOSYACOCSA-N
HMDB31060,310.250794954,C19H34O3,CCCCCCCCC1=C(CCCCCCC(O)C(O)=O)C1,"InChI=1S/C19H34O3/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(20)19(21)22/h18,20H,2-15H2,1H3,(H,21,22)",NIMPMJIXSJYVEO,UHFFFAOYSA,N,(R)-2-Hydroxysterculic acid,NIMPMJIXSJYVEO-UHFFFAOYSA-N
HMDB31061,258.219494826,C15H30O3,CCCCC(O)CCCCCCCCC(=O)OC,"InChI=1S/C15H30O3/c1-3-4-11-14(16)12-9-7-5-6-8-10-13-15(17)18-2/h14,16H,3-13H2,1-2H3",XWWWWMGJQNMRKX,UHFFFAOYSA,N,10-Hydroxymyristic acid methyl ester,XWWWWMGJQNMRKX-UHFFFAOYSA-N
HMDB31062,184.146329884,C11H20O2,CCCCCC\C=C(\C)CC(O)=O,"InChI=1S/C11H20O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h8H,3-7,9H2,1-2H3,(H,12,13)/b10-8-",AMLVNNDHFHTSBV,NTMALXAHSA,N,(Z)-3-Methyl-3-decenoic acid,AMLVNNDHFHTSBV-NTMALXAHSA-N
HMDB31063,184.146329884,C11H20O2,CCCCC\C=C/C(C)CC(O)=O,"InChI=1S/C11H20O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h7-8,10H,3-6,9H2,1-2H3,(H,12,13)/b8-7-",WZZXDQPNKLAUNI,FPLPWBNLSA,N,(Z)-3-Methyl-4-decenoic acid,WZZXDQPNKLAUNI-FPLPWBNLSA-N
HMDB31064,170.167065326,C11H22O,CCCCCC\C=C(\C)CCO,"InChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h8,12H,3-7,9-10H2,1-2H3/b11-8-",IIHSHWXQNLODTC,FLIBITNWSA,N,(Z)-3-Methyl-3-decen-1-ol,IIHSHWXQNLODTC-FLIBITNWSA-N
HMDB31065,170.167065326,C11H22O,CCCCC\C=C\C(C)CCO,"InChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+",JDCKKTBNCHNHRR,BQYQJAHWSA,N,(±)-(E)-3-Methyl-4-decen-1-ol,JDCKKTBNCHNHRR-BQYQJAHWSA-N
HMDB31066,284.271530396,C18H36O2,CC(C)CCCCCCCCCCCCCCC(O)=O,"InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)",XDOFQFKRPWOURC,UHFFFAOYSA,N,16-Methylheptadecanoic acid,XDOFQFKRPWOURC-UHFFFAOYSA-N
HMDB31067,270.255880332,C17H34O2,CCC(C)CCCCCCCCCCCCC(O)=O,"InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)",FXUKWLSZZHVEJD,UHFFFAOYSA,N,(S)-14-Methylhexadecanoic acid,FXUKWLSZZHVEJD-UHFFFAOYSA-N
HMDB31068,256.240230268,C16H32O2,CC(C)CCCCCCCCCCCCC(O)=O,"InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)",ZONJATNKKGGVSU,UHFFFAOYSA,N,Isopalmitic acid,ZONJATNKKGGVSU-UHFFFAOYSA-N
HMDB31069,352.406901664,C25H52,CCCCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C25H52/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)3/h25H,4-24H2,1-3H3",YNQOGIZOCQEUJR,UHFFFAOYSA,N,Isopentacosane,YNQOGIZOCQEUJR-UHFFFAOYSA-N
HMDB31070,232.055800318,C13H12O2S,CS\C=C/C#CCC1=CC=C(O1)\C=C/C=O,"InChI=1S/C13H12O2S/c1-16-11-4-2-3-6-12-8-9-13(15-12)7-5-10-14/h4-5,7-11H,6H2,1H3/b7-5-,11-4-",UGVHOJSVUOERFS,QXOCYMRCSA,N,"(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein",UGVHOJSVUOERFS-QXOCYMRCSA-N
HMDB31071,338.3912516,C24H50,CCCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C24H50/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3/h24H,4-23H2,1-3H3",JNHSEDRFFJZMLH,UHFFFAOYSA,N,2-Methyltricosane,JNHSEDRFFJZMLH-UHFFFAOYSA-N
HMDB31072,228.20893014,C14H28O2,CC(C)CCCCCCCCCCC(O)=O,"InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)",YYVJAABUJYRQJO,UHFFFAOYSA,N,12-Methyltridecanoic acid,YYVJAABUJYRQJO-UHFFFAOYSA-N
HMDB31073,226.193280076,C14H26O2,CC1CCCCCCCCCCC(=O)OC1,"InChI=1S/C14H26O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h13H,2-12H2,1H3",NFNWPPOMMYDNFQ,UHFFFAOYSA,N,12-Methyl-13-tridecanolide,NFNWPPOMMYDNFQ-UHFFFAOYSA-N
HMDB31074,330.277009704,C19H38O4,CCCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",QHZLMUACJMDIAE,UHFFFAOYSA,N,Glycerol 1-hexadecanoate,QHZLMUACJMDIAE-UHFFFAOYSA-N
HMDB31075,358.308309832,C21H42O4,CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3",VBICKXHEKHSIBG,UHFFFAOYSA,N,Glycerol 1-octadecanoate,VBICKXHEKHSIBG-UHFFFAOYSA-N
HMDB31076,330.146723814,C19H22O5,CC12CC(O)CC3(OC1=O)C2C(C(O)=O)C12CC4CCC31C2C4=C,"InChI=1S/C19H22O5/c1-8-9-3-4-18-12(8)17(18,5-9)11(14(21)22)13-16(2)6-10(20)7-19(13,18)24-15(16)23/h9-13,20H,1,3-7H2,2H3,(H,21,22)",LFUHRHARIGPIGN,UHFFFAOYSA,N,Gibberellin A105,LFUHRHARIGPIGN-UHFFFAOYSA-N
HMDB31078,226.229665582,C15H30O,CCCCCCCCCCCCCCC=O,"InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3",XGQJZNCFDLXSIJ,UHFFFAOYSA,N,Pentadecanal,XGQJZNCFDLXSIJ-UHFFFAOYSA-N
HMDB31079,446.303224454,C27H42O5,CC1C2C(CC3C4CC(O)C5CC(O)CCC5(C)C4CC(=O)C23C)OC11CCC(C)CO1,"InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h14-22,24,28-29H,5-13H2,1-4H3",AEDBOXCTQDATMF,UHFFFAOYSA,N,12-Ketoporrigenin,AEDBOXCTQDATMF-UHFFFAOYSA-N
HMDB31080,426.349780716,C29H46O2,CCC(CCC(C)C1C(=O)C=C2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)27-26(31)17-25-23-11-10-21-16-22(30)12-14-28(21,5)24(23)13-15-29(25,27)6/h10,17-20,22-24,27,30H,7-9,11-16H2,1-6H3",MEWYFWRPPPAWSI,UHFFFAOYSA,N,Momordenol,MEWYFWRPPPAWSI-UHFFFAOYSA-N
HMDB31081,226.229665582,C15H30O,CCCCCCCCCCCCCC(C)=O,"InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3",CJPNOLIZCWDHJK,UHFFFAOYSA,N,2-Pentadecanone,CJPNOLIZCWDHJK-UHFFFAOYSA-N
HMDB31082,210.23475096,C15H30,CCCCCCCCCCCCCC=C,"InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3",PJLHTVIBELQURV,UHFFFAOYSA,N,1-Pentadecene,PJLHTVIBELQURV-UHFFFAOYSA-N
HMDB31083,210.23475096,C15H30,CCCCCCC\C=C\CCCCCC,"InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h13,15H,3-12,14H2,1-2H3/b15-13+",ZXFYKYSBFXNVIG,FYWRMAATSA,N,(E)-7-Pentadecene,ZXFYKYSBFXNVIG-FYWRMAATSA-N
HMDB31084,138.10446507,C9H14O,CCCCCC1=CC=CO1,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",YVBAUDVGOFCUSG,UHFFFAOYSA,N,2-Pentylfuran   n,YVBAUDVGOFCUSG-UHFFFAOYSA-N
HMDB31085,166.099379692,C10H14O2,CCCCCC1=CC=CC(=O)O1,"InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3",MAUFTTLGOUBZNA,UHFFFAOYSA,N,6-Pentyl-2H-pyran-2-one,MAUFTTLGOUBZNA-UHFFFAOYSA-N
HMDB31086,252.20893014,C16H28O2,O=C1CCCCC\C=C/CCCCCCCCO1,"InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2-",NVIPUOMWGQAOIT,RQOWECAXSA,N,"(Z)-7-Hexadecen-1,16-olide",NVIPUOMWGQAOIT-RQOWECAXSA-N
HMDB31087,184.146329884,C11H20O2,CCCCCCC1CC1CC(O)=O,"InChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)",DSMAUFFXECFFMC,UHFFFAOYSA,N,trans-2-Hexyl-1-cyclopropaneacetic acid,DSMAUFFXECFFMC-UHFFFAOYSA-N
HMDB31088,294.219494826,C18H30O3,CC\C=C/CC1OC1C\C=C\CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8+",BKKGUKSHPCTUGE,GSRSKSEFSA,N,"12,13-Epoxy-9,15-octadecadienoic acid",BKKGUKSHPCTUGE-GSRSKSEFSA-N
HMDB31089,596.501589908,C36H68O6,CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC,"InChI=1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3",MBXVIRZWSHICAV,UHFFFAOYSA,N,Glycerol triundecanoate,MBXVIRZWSHICAV-UHFFFAOYSA-N
HMDB31090,1016.971091828,C66H128O6,CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3",UTPJJAGAXCDLAG,UHFFFAOYSA,N,Glycerol triheneicosanoate,UTPJJAGAXCDLAG-UHFFFAOYSA-N
HMDB31091,308.23514489,C19H32O3,CCCCCC1=CC(C)=C(CCCCCCCCC(O)=O)O1,"InChI=1S/C19H32O3/c1-3-4-9-12-17-15-16(2)18(22-17)13-10-7-5-6-8-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)",TUQVXFOSXOCQCM,UHFFFAOYSA,N,3-Methyl-5-pentyl-2-furannonanoic acid,TUQVXFOSXOCQCM-UHFFFAOYSA-N
HMDB31092,696.473005696,C39H69O8P,CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC,"InChI=1S/C39H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3,(H2,42,43,44)/b13-11+,14-12+,19-17+,20-18+",OBXRDFNCKFWKNY,WVZYQCMWSA,N,"1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate",OBXRDFNCKFWKNY-WVZYQCMWSA-N
HMDB31093,692.441705568,C39H65O8P,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H65O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37H,3-4,9-10,15-16,21-36H2,1-2H3,(H2,42,43,44)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",SCTIGCPAHAZQNF,YTWBPVBXSA,N,"9,12,15-Octadecatrienoic acid 1-[(phosphonoxy)methyl]-1,2-ethanediyl ester",SCTIGCPAHAZQNF-YTWBPVBXSA-N
HMDB31094,302.172938564,C15H26O6,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,"InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3",UYXTWWCETRIEDR,UHFFFAOYSA,N,Glycerol tributanoate,UYXTWWCETRIEDR-UHFFFAOYSA-N
HMDB31095,330.146723814,C19H22O5,CC12CCCC3(OC1=O)C2C(C(O)=O)C12CC4CC(O)C31C2C4=C,"InChI=1S/C19H22O5/c1-8-9-6-10(20)19-12(8)17(19,7-9)11(14(21)22)13-16(2)4-3-5-18(13,19)24-15(16)23/h9-13,20H,1,3-7H2,2H3,(H,21,22)",APBPHWLOGNJBLH,UHFFFAOYSA,N,Gibberellin A108,APBPHWLOGNJBLH-UHFFFAOYSA-N
HMDB31096,344.198759384,C21H28O4,CC\C(C)=C\C(=O)OC1C=C(C(C)C)C2C(COC(=O)\C2=C/C)C1=C,"InChI=1S/C21H28O4/c1-7-13(5)9-19(22)25-18-10-16(12(3)4)20-15(8-2)21(23)24-11-17(20)14(18)6/h8-10,12,17-18,20H,6-7,11H2,1-5H3/b13-9+,15-8-",DGIQURYKMOLFSK,VERMXVBFSA,N,Neotussilagolactone,DGIQURYKMOLFSK-VERMXVBFSA-N
HMDB31097,280.240230268,C18H32O2,CCCCCCCCCCCCC#CCCCC(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-12,15-17H2,1H3,(H,19,20)",GDBJCCBRRCYCEG,UHFFFAOYSA,N,5-Octadecynoic acid,GDBJCCBRRCYCEG-UHFFFAOYSA-N
HMDB31098,290.188194698,C18H26O3,CC\C=C/C=C/C=C\C=C\CCCCC(=O)CCC(O)=O,"InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3-,6-5+,8-7-,10-9+",ZYOSGENSARGRME,WYVWLRFESA,N,"(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid",ZYOSGENSARGRME-WYVWLRFESA-N
HMDB31099,334.28718046,C22H38O2,CCCCCCCC\C=C\C\C=C/C\C=C/CCCCCC(O)=O,"InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,12-13,15-16H,2-8,11,14,17-21H2,1H3,(H,23,24)/b10-9+,13-12-,16-15-",OEPMAZVWYGAFLM,SLWLPBBHSA,N,"(all-Z)-7,10,13-Docosatrienoic acid",OEPMAZVWYGAFLM-SLWLPBBHSA-N
HMDB31101,156.07864425,C8H12O3,OCC=C=CCCCC(O)=O,"InChI=1S/C8H12O3/c9-7-5-3-1-2-4-6-8(10)11/h1,5,9H,2,4,6-7H2,(H,10,11)",LNDWPMYWLUFZEI,UHFFFAOYSA,N,"8-Hydroxy-5,6-octadienoic acid",LNDWPMYWLUFZEI-UHFFFAOYSA-N
HMDB31102,182.167065326,C12H22O,CCCCC\C=C\C\C=C\CCO,"InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,9-10,13H,2-5,8,11-12H2,1H3/b7-6+,10-9+",WVTVMLXNKUWGBH,AVQMFFATSA,N,"(Z,Z)-3,6-Dodecadien-1-ol",WVTVMLXNKUWGBH-AVQMFFATSA-N
HMDB31103,294.219494826,C18H30O3,CC\C=C/C\C=C/C\C=C\CCCCCCC(O)C(O)=O,"InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9+",JQXGCBKGIBTCHY,FVCZIJCZSA,N,2-Hydroxylinolenic acid,JQXGCBKGIBTCHY-FVCZIJCZSA-N
HMDB31105,1052.971091828,C69H128O6,CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C\CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26+,30-27+",XDSPGKDYYRNYJI,UCTUUELPSA,N,Trierucin,XDSPGKDYYRNYJI-UCTUUELPSA-N
HMDB31106,848.78329106,C54H104O6,CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3",FBFWDBGUSMGXPI,UHFFFAOYSA,N,Glycerol triheptadecanoate,FBFWDBGUSMGXPI-UHFFFAOYSA-N
HMDB31107,932.877191444,C60H116O6,CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3",IZTDYXKTXNJHMQ,UHFFFAOYSA,N,Glycerol trinonadecanoate,IZTDYXKTXNJHMQ-UHFFFAOYSA-N
HMDB31108,884.78329106,C57H104O6,CCCCCCCCCCC\C=C\CCCCC(=O)OCC(COC(=O)CCCC\C=C\CCCCCCCCCCC)OC(=O)CCCC\C=C\CCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h34-39,54H,4-33,40-53H2,1-3H3/b37-34+,38-35+,39-36+",SEMJUQWPYRYUOY,GMHCBVOVSA,N,Tripetroselinin,SEMJUQWPYRYUOY-GMHCBVOVSA-N
HMDB31110,680.595490292,C42H80O6,CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,"InChI=1S/C42H80O6/c1-4-7-10-13-16-19-22-25-28-31-34-40(43)46-37-39(48-42(45)36-33-30-27-24-21-18-15-12-9-6-3)38-47-41(44)35-32-29-26-23-20-17-14-11-8-5-2/h39H,4-38H2,1-3H3",UDXANBFMQUOKTQ,UHFFFAOYSA,N,Glycerol tritridecanoate,UDXANBFMQUOKTQ-UHFFFAOYSA-N
HMDB31111,224.214015518,C15H28O,CCCC\C=C\CCC\C=C\CCCCO,"InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3/b6-5+,11-10+",KKBFAANQNYGLKU,RINXSNKBSA,N,"5,10-Pentadecadien-1-ol",KKBFAANQNYGLKU-RINXSNKBSA-N
HMDB31112,531.152931403,C29H25NO9,COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C(OC2C(O)C(C)(C)OC3=C2C2=C(C=CC(=O)O2)C=C3)=C(O)C=C1,"InChI=1S/C29H25NO9/c1-29(2)28(35)27(22-19(39-29)9-5-13-6-10-20(33)37-25(13)22)38-26-17(31)8-7-15-23(26)30(3)16-11-14(36-4)12-18(32)21(16)24(15)34/h5-12,27-28,31-32,35H,1-4H3",VMABFFUJXPHEJX,UHFFFAOYSA,N,Neoacrimarine F,VMABFFUJXPHEJX-UHFFFAOYSA-N
HMDB31113,882.767640996,C57H102O6,CCCCCCCC\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,54H,4-17,19-20,22-24,31-53H2,1-3H3/b21-18+,28-25+,29-26+,30-27+",UBFOEWXGSAZLKS,UEXXDPPDSA,N,"Glycerol 1,3-di-(9Z-octadecenoate) 2-(9Z,12Z-octadecadienoate)",UBFOEWXGSAZLKS-UEXXDPPDSA-N
HMDB31114,882.767640996,C57H102O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)COC(=O)CCCCCCC\C=C\C\C=C\CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,54H,4-15,18,21-24,27,30-53H2,1-3H3/b19-16+,20-17+,28-25+,29-26+",FGNXNKQAEKNDNA,LQHMVQCRSA,N,"Glycerol 1,3-di-(9Z,12Z-octadecadienoate) 2-octadecanoate",FGNXNKQAEKNDNA-LQHMVQCRSA-N
HMDB31115,880.751990932,C57H100O6,CCCCCCCC\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,54H,4-15,17,20,22-24,31-53H2,1-3H3/b19-16+,21-18+,28-25+,29-26+,30-27+",VVEBTVMJPTZDHO,XUVHLPINSA,N,"Glycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-(9Z-octadecenoate)",VVEBTVMJPTZDHO-XUVHLPINSA-N
HMDB31116,858.767640996,C55H102O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25+,28-26+",PPTGNVIVNZLPPS,NBHCHVEOSA,N,"Glycerol 2,3-di-(9Z-octadecenoate) 1-hexadecanoate",PPTGNVIVNZLPPS-NBHCHVEOSA-N
HMDB31117,854.736340868,C55H98O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,52H,4-15,18,21-24,29-51H2,1-3H3/b19-16+,20-17+,27-25+,28-26+",LXAWUIOWWNQCQA,OZBINYCYSA,N,"Glycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-hexadecanoate",LXAWUIOWWNQCQA-OZBINYCYSA-N
HMDB31118,854.736340868,C55H98O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)COC(=O)CCCCCCC\C=C\C\C=C\CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,52H,4-15,18,21-24,29-51H2,1-3H3/b19-16+,20-17+,27-25+,28-26+",KRVYYALDCAWYEF,OZBINYCYSA,N,"Glycerol 1,3-di-(9Z,12Z-octadecadienoate) 2-hexadecanoate",KRVYYALDCAWYEF-OZBINYCYSA-N
HMDB31119,832.751990932,C53H100O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h25-26,50H,4-24,27-49H2,1-3H3/b26-25+",YHMDGPZOSGBQRH,OCEACIFDSA,N,"Glycerol 1,2-dihexadecanoate 3-(9Z-octadecenoate)",YHMDGPZOSGBQRH-OCEACIFDSA-N
HMDB31120,830.736340868,C53H98O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,50H,4-23,28-49H2,1-3H3/b26-24+,27-25+",AFLXUGKIZQFJJI,OWUYFMIJSA,N,"Glycerol 1,2-di-(9Z-octadecenoate) 3-tetradecanoate",AFLXUGKIZQFJJI-OWUYFMIJSA-N
HMDB31121,830.736340868,C53H98O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16+,26-25+",MTWYSKGJIDFSRC,GUKKWNCZSA,N,"Glycerol 1,2-dihexadecanoate 3-(9Z,12Z-octadecadienoate)",MTWYSKGJIDFSRC-GUKKWNCZSA-N
HMDB31122,830.736340868,C53H98O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16+,26-25+",HTGAUBMLVQRATC,GUKKWNCZSA,N,"Glycerol 1,3-dihexadecanoate 2-(9Z,12Z-octadecadienoate)",HTGAUBMLVQRATC-GUKKWNCZSA-N
HMDB31123,776.689390676,C49H92O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h23-24,46H,4-22,25-45H2,1-3H3/b24-23+",KMMOOAFQVREVIF,WCWDXBQESA,N,"Glycerol 1,3-ditetradecanoate 2-(9Z-octadecenoate)",KMMOOAFQVREVIF-WCWDXBQESA-N
HMDB31124,666.579840228,C41H78O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1S/C41H78O6/c1-4-7-10-13-16-19-20-23-25-28-31-34-40(43)46-37-38(47-41(44)35-32-29-26-22-18-15-12-9-6-3)36-45-39(42)33-30-27-24-21-17-14-11-8-5-2/h38H,4-37H2,1-3H3",SMUUMIRCIBXLGI,UHFFFAOYSA,N,"Glycerol 1,2-didodecanoate 3-tetradecanoate",SMUUMIRCIBXLGI-UHFFFAOYSA-N
HMDB31125,386.266838948,C21H38O6,CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC,"InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3",MAYCICSNZYXLHB,UHFFFAOYSA,N,Glycerol trihexanoate,MAYCICSNZYXLHB-UHFFFAOYSA-N
HMDB31126,350.282095082,C22H38O3,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(O)=O)O1,"InChI=1S/C22H38O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h4-17H2,1-3H3,(H,23,24)",MCTXSZNBSIMKTO,UHFFFAOYSA,N,"3,4-Dimethyl-5-pentyl-2-furanundecanoic acid",MCTXSZNBSIMKTO-UHFFFAOYSA-N
HMDB31127,298.250794954,C18H34O3,CCCCCCC1CCC(CCCCCCCC(O)=O)O1,"InChI=1S/C18H34O3/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)",AQIVDANQKWQSRX,UHFFFAOYSA,N,5-Hexyltetrahydro-2-furanoctanoic acid,AQIVDANQKWQSRX-UHFFFAOYSA-N
HMDB31128,168.151415262,C11H20O,C=CCCCCCCCCC=O,"InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2",OFHHDSQXFXLTKC,UHFFFAOYSA,N,10-Undecenal,OFHHDSQXFXLTKC-UHFFFAOYSA-N
HMDB31129,700.504305824,C39H73O8P,CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)",MHUWZNTUIIFHAS,UHFFFAOYSA,N,"9-Octadecenoic acid 1-[(phosphonoxy)methyl]-1,2-ethanediyl ester",MHUWZNTUIIFHAS-UHFFFAOYSA-N
HMDB31130,674.48865576,C37H71O8P,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COP(O)(O)=O,"InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/b18-17+",ZSXHMDPHNCOWSV,ISLYRVAYSA,N,9-Octadecenoic acid 1-[[(1-oxohexadecyl)oxy]methyl]-2-(phosphonoxy)ethyl ester,ZSXHMDPHNCOWSV-ISLYRVAYSA-N
HMDB31131,646.457355632,C35H67O8P,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COP(O)(O)=O,"InChI=1S/C35H67O8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-19-14-12-10-8-6-4-2/h16-17,33H,3-15,18-32H2,1-2H3,(H2,38,39,40)/b17-16+",SOEWBJRWWSGRKM,WUKNDPDISA,N,Glycerol 1-(9Z-octadecenoate) 2-tetradecanoate 3-phosphate,SOEWBJRWWSGRKM-WUKNDPDISA-N
HMDB31132,166.062994186,C9H10O3,CC(=O)CC1=CC(O)=C(O)C=C1,"InChI=1S/C9H10O3/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5,11-12H,4H2,1H3",JQXBETDGCMQLMK,UHFFFAOYSA,N,"3,4-Dihydroxyphenylacetone",JQXBETDGCMQLMK-UHFFFAOYSA-N
HMDB31133,726.528198588,C41H74O10,CCCCCCC\C=C\CCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC\C=C\CCCCCCC,"InChI=1S/C41H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,34-35,38-42,45-47H,3-14,19-33H2,1-2H3/b17-15+,18-16+",LJGDLFGTFICYEJ,YTEMWHBBSA,N,"1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol",LJGDLFGTFICYEJ-YTEMWHBBSA-N
HMDB31134,790.490098522,C41H74O12S,CCCCCCC\C=C\CCCCCCC(=O)OCC(COC1OC(CS(O)(=O)=O)C(O)C(O)C1O)OC(=O)CCCCCC\C=C\CCCCCCC,"InChI=1S/C41H74O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,34-35,38-41,44-46H,3-14,19-33H2,1-2H3,(H,47,48,49)/b17-15+,18-16+",JAJQHMCAOZKADN,YTEMWHBBSA,N,"1,2-Di-O-(8-hexadecenoyl)-3-O-(6-sulfoquinovopyranosyl)glycerol",JAJQHMCAOZKADN-YTEMWHBBSA-N
HMDB31135,515.158016781,C29H25NO8,COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C(OC2C(O)C(C)(C)OC3=C2C2=C(C=CC(=O)O2)C=C3)=CC=C1,"InChI=1S/C29H25NO8/c1-29(2)28(34)27(23-19(38-29)10-8-14-9-11-21(32)37-26(14)23)36-20-7-5-6-16-24(20)30(3)17-12-15(35-4)13-18(31)22(17)25(16)33/h5-13,27-28,31,34H,1-4H3",MNOCITGIWBOSNH,UHFFFAOYSA,N,Neoacrimarine G,MNOCITGIWBOSNH-UHFFFAOYSA-N
HMDB31136,638.475769088,C37H66O8,CCCCCC(O)C(O)CCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O8/c1-3-4-13-18-29(38)30(39)20-16-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)19-15-12-10-8-6-5-7-9-11-14-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3",SWLPIUHJTSWWOJ,UHFFFAOYSA,N,Rollitacin,SWLPIUHJTSWWOJ-UHFFFAOYSA-N
HMDB31137,362.245709576,C22H34O4,CC(=O)OC[C@]1(O)CC23C[C@@H]1CCC2[C@]1(C)CCC[C@@](C)(C=O)C1CC3,"InChI=1S/C22H34O4/c1-15(24)26-14-22(25)12-21-10-7-17-19(2,13-23)8-4-9-20(17,3)18(21)6-5-16(22)11-21/h13,16-18,25H,4-12,14H2,1-3H3/t16-,17?,18?,19-,20+,21?,22+/m0/s1",FCHGRGOUMXZTFS,QZRFJHGNSA,N,Annosquamosin A,FCHGRGOUMXZTFS-QZRFJHGNSA-N
HMDB31138,1048.509038866,C50H80O23,CC(COC1OC(CO)C(O)C(O)C1O)CC(CO)C1=C(C)C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(OC3OCC(O)C(O)C3O)C(O)C2O)O1,"InChI=1S/C50H80O23/c1-19(15-65-46-41(63)37(59)36(58)31(14-52)71-46)9-21(13-51)43-20(2)33-30(70-43)12-25-23-11-27(53)26-10-22(5-7-49(26,3)24(23)6-8-50(25,33)4)69-48-42(64)38(60)44(73-47-40(62)35(57)29(55)17-67-47)32(72-48)18-68-45-39(61)34(56)28(54)16-66-45/h19,21-26,28-42,44-48,51-52,54-64H,5-18H2,1-4H3",VUAXPLNAPPGWDL,UHFFFAOYSA,N,Chinenoside IV,VUAXPLNAPPGWDL-UHFFFAOYSA-N
HMDB31139,916.466780122,C45H72O19,CC(COC1OC(CO)C(O)C(O)C1O)CC(CO)C1=C(C)C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)O1,"InChI=1S/C45H72O19/c1-18(15-58-42-38(56)35(53)33(51)29(14-47)63-42)9-20(13-46)40-19(2)31-28(62-40)12-24-22-11-26(48)25-10-21(5-7-44(25,3)23(22)6-8-45(24,31)4)61-43-39(57)36(54)34(52)30(64-43)17-60-41-37(55)32(50)27(49)16-59-41/h18,20-25,27-39,41-43,46-47,49-57H,5-17H2,1-4H3",WDTQKOJLOMDSGJ,UHFFFAOYSA,N,Chinenoside V,WDTQKOJLOMDSGJ-UHFFFAOYSA-N
HMDB31140,532.230847372,C28H36O10,COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(O)C34OC(CC(OC(C)=O)C13C)(OC)OC4(C)C)O2,"InChI=1S/C28H36O10/c1-13-16-12-34-23(31)20(16)22(32-7)15-9-17-25(5,36-21(13)15)10-18(30)28-24(3,4)37-27(33-8,38-28)11-19(26(17,28)6)35-14(2)29/h17-19,30H,9-12H2,1-8H3",WDGSJYYXVXQQHP,UHFFFAOYSA,N,Austalide D,WDGSJYYXVXQQHP-UHFFFAOYSA-N
HMDB31142,886.798941124,C57H106O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,54H,4-24,27,30-53H2,1-3H3/b28-25+,29-26+",KGSBKZXRGYMKBT,XQHINZDJSA,N,"Glycerol 1,3-di-(9Z-octadecenoate) 2-octadecanoate",KGSBKZXRGYMKBT-XQHINZDJSA-N
HMDB31143,916.845891316,C59H112O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h27,31,56H,4-26,28-30,32-55H2,1-3H3/b31-27+",OCYFAHIHWCVZKS,TVKQRKNISA,N,Glycerol 1-eicosanoate 2-(9Z-octadecenoate) 3-octadecanoate,OCYFAHIHWCVZKS-TVKQRKNISA-N
HMDB31144,886.798941124,C57H106O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,54H,4-24,26,29,31-53H2,1-3H3/b28-25+,30-27+",RYNHWWNZNIGDAQ,WGSDILPMSA,N,"Glycerol 1,2-di-(9Z-octadecenoate) 3-octadecanoate",RYNHWWNZNIGDAQ-WGSDILPMSA-N
HMDB31145,254.224580204,C16H30O2,CCCCCCCCCCCCC1CCC(=O)O1,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(17)18-15/h15H,2-14H2,1H3",SRIFJCOBFTWCTM,UHFFFAOYSA,N,5-Dodecyldihydro-2(3H)-furanone,SRIFJCOBFTWCTM-UHFFFAOYSA-N
HMDB31146,906.51457789,C55H70MgN4O6,CCC1=C(C=O)C2=[N]3C1=CC1=C(C)C4=C5N1[Mg]31N3C(=CC6=[N]1C(C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C6C)=C5C(C(=O)OC)C4=O)C(C)=C(C=C)C3=C2,"InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;",NSMUHPMZFPKNMZ,HXAPHQIMSA,M,Chlorophyll b,NSMUHPMZFPKNMZ-HXAPHQIMSA-M
HMDB31147,588.237270154,C35H32N4O5,CCC1=C(C)/C2=C/C3=C(C=C)C(C)=C(N3)\C=C3/N=C(C(\C=C\C(O)=O)=C3C)C3=C(C(=O)OC)C(O)=C4C(C)=C(\C=C\1/N\2)N=C34,"InChI=1S/C35H32N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,10-14,36-37,42H,1,9H2,2-7H3,(H,40,41)/b11-10+,22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-",UYSUNDXMKIQRCS,NDTADBPLSA,N,Chlorophyll c,UYSUNDXMKIQRCS-NDTADBPLSA-N
HMDB31148,610.206661988,C35H30MgN4O5,COC(=O)C1C(=O)C2=C3N4C(C=C5C(C=C)=C(C)C6=[N]5[Mg]44N5C(=CC7=[N]4C(C(CCC(O)=O)=C7C)=C13)C(C)=C(C=C)C5=C6)=C2C,"InChI=1S/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;",YXBIPIDDNARELO,UAVVDGTISA,L,Protochlorophyllide,YXBIPIDDNARELO-UAVVDGTISA-L
HMDB31149,606.24783484,C35H34N4O6,CCC1=C(C=O)C2=N\C\1=C/C1=C(C)C3=C(N1)\C(C(C(=O)OC)C3=O)=C1/N=C(/C=C3\N/C(=C\2)C(C=C)=C3C)C(C)C1CCC(O)=O,"InChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36,39H,1,8-10H2,2-6H3,(H,41,42)/b22-11-,23-11-,24-12-,25-13-,26-12-,27-13-,32-30-",PROPHBCDMQAJMH,DZJPEQLASA,N,Phaeophorbide b,PROPHBCDMQAJMH-DZJPEQLASA-N
HMDB31150,534.263090974,C33H34N4O3,CCC1=C(C)C2=N\C\1=C/C1=C(C)C3=C(N1)\C(CC3=O)=C1/N=C(/C=C3\N/C(=C\2)C(C=C)=C3C)C(C)C1CCC(O)=O,"InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-",IEGUQQKIFBYXLG,KCRGODDBSA,N,Pyrophaeophorbide a,IEGUQQKIFBYXLG-KCRGODDBSA-N
HMDB31151,164.938433695,C4HCl2NO2,OC1=NC(=O)C(Cl)=C1Cl,"InChI=1S/C4HCl2NO2/c5-1-2(6)4(9)7-3(1)8/h(H,7,8,9)",KVBAKSQRUXXHCK,UHFFFAOYSA,N,Dichloromaleimide,KVBAKSQRUXXHCK-UHFFFAOYSA-N
HMDB31152,138.10446507,C9H14O,CC\C=C/C\C=C/CC=O,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3-,7-6-",FIDBXHOCOXRPRO,CWWKMNTPSA,N,"(3Z,6Z)-3,6-Nonadienal",FIDBXHOCOXRPRO-CWWKMNTPSA-N
HMDB31153,144.151415262,C9H20O,CC(C)CC(O)CC(C)C,"InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3",HXQPUEQDBSPXTE,UHFFFAOYSA,N,Diisobutylcarbinol,HXQPUEQDBSPXTE-UHFFFAOYSA-N
HMDB31154,177.99446239,C6H10S3,C=CCSSSCC=C,"InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2",UBAXRAHSPKWNCX,UHFFFAOYSA,N,Allitridin,UBAXRAHSPKWNCX-UHFFFAOYSA-N
HMDB31155,185.901767736,C2Cl3F3,FC(F)(Cl)C(F)(Cl)Cl,"InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8",AJDIZQLSFPQPEY,UHFFFAOYSA,N,"1,1,2-Trichloro-1,2,2-trifluoroethane",AJDIZQLSFPQPEY-UHFFFAOYSA-N
HMDB31156,168.115029756,C10H16O2,CCOC(=O)CC\C=C\CC=C,"InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3,6-7H,1,4-5,8-9H2,2H3/b7-6+",LNOWXPKCCJROHI,VOTSOKGWSA,N,"Ethyl (4Z)-4,7-octadienoate",LNOWXPKCCJROHI-VOTSOKGWSA-N
HMDB31157,122.0223917,C4H10S2,CC(S)C(C)S,"InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3",TWWSEEHCVDRRRI,UHFFFAOYSA,N,"2,3-Butanedithiol",TWWSEEHCVDRRRI-UHFFFAOYSA-N
HMDB31158,114.068079564,C6H10O2,CC(CC=C)C(O)=O,"InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)",HVRZYSHVZOELOH,UHFFFAOYSA,N,2-Methyl-4-pentenoic acid,HVRZYSHVZOELOH-UHFFFAOYSA-N
HMDB31159,208.021917232,C6H8O8,OC(C(O)=O)C(O)(CC(O)=O)C(O)=O,"InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)",ZMJBYMUCKBYSCP,UHFFFAOYSA,N,Garcinia acid,ZMJBYMUCKBYSCP-UHFFFAOYSA-N
HMDB31160,136.038041764,C5H12S2,CCCCCSS,"InChI=1S/C5H12S2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3",DPLYGYOSWLFGGY,UHFFFAOYSA,N,1-Pentanesulfenothioic acid,DPLYGYOSWLFGGY-UHFFFAOYSA-N
HMDB31161,150.053691828,C6H14S2,CCCCCSSC,"InChI=1S/C6H14S2/c1-3-4-5-6-8-7-2/h3-6H2,1-2H3",VDJXDNLYBDHPHP,UHFFFAOYSA,N,Methyl pentyl disulfide,VDJXDNLYBDHPHP-UHFFFAOYSA-N
HMDB31162,178.029979498,C6H10O4S,OC(=O)CCSCCC(O)=O,"InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)",ODJQKYXPKWQWNK,UHFFFAOYSA,N,"3,3'-Thiobispropanoic acid",ODJQKYXPKWQWNK-UHFFFAOYSA-N
HMDB31163,111.068413915,C6H9NO,CC(=O)N1CCC=C1,"InChI=1S/C6H9NO/c1-6(8)7-4-2-3-5-7/h2,4H,3,5H2,1H3",CMFWLOPIOWBYCM,UHFFFAOYSA,N,"N-Acetyl-2,3-dihydro-1H-pyrrole",CMFWLOPIOWBYCM-UHFFFAOYSA-N
HMDB31164,1190.608418558,C58H94O25,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C58H94O25/c1-24-44(80-47-41(70)34(63)27(61)22-74-47)40(69)43(72)48(76-24)81-45-35(64)28(62)23-75-50(45)83-52(73)58-17-15-53(2,3)19-26(58)25-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-57(32,8)56(25,7)16-18-58)79-51-46(39(68)37(66)30(21-60)78-51)82-49-42(71)38(67)36(65)29(20-59)77-49/h9,24,26-51,59-72H,10-23H2,1-8H3",SNUYYOZIHXZPOM,UHFFFAOYSA,N,Acutoside B,SNUYYOZIHXZPOM-UHFFFAOYSA-N
HMDB31165,1322.650677302,C63H102O29,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O,"InChI=1S/C63H102O29/c1-25-47(88-52-46(79)48(30(68)24-82-52)89-51-43(76)36(69)28(66)22-81-51)42(75)45(78)53(84-25)90-49-37(70)29(67)23-83-55(49)92-57(80)63-17-15-58(2,3)19-27(63)26-9-10-34-60(6)13-12-35(59(4,5)33(60)11-14-62(34,8)61(26,7)16-18-63)87-56-50(41(74)39(72)32(21-65)86-56)91-54-44(77)40(73)38(71)31(20-64)85-54/h9,25,27-56,64-79H,10-24H2,1-8H3",GGJRZIMZYBAXEM,UHFFFAOYSA,N,Acutoside D,GGJRZIMZYBAXEM-UHFFFAOYSA-N
HMDB31166,1322.650677302,C63H102O29,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(OC2OCC(O)C(O)C2O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C63H102O29/c1-25-47(88-51-43(76)36(69)28(66)22-81-51)48(89-52-44(77)37(70)29(67)23-82-52)46(79)54(84-25)90-49-38(71)30(68)24-83-55(49)92-57(80)63-17-15-58(2,3)19-27(63)26-9-10-34-60(6)13-12-35(59(4,5)33(60)11-14-62(34,8)61(26,7)16-18-63)87-56-50(42(75)40(73)32(21-65)86-56)91-53-45(78)41(74)39(72)31(20-64)85-53/h9,25,27-56,64-79H,10-24H2,1-8H3",CGMMPQTXKGHQLK,UHFFFAOYSA,N,Acutoside F,CGMMPQTXKGHQLK-UHFFFAOYSA-N
HMDB31167,1454.692936046,C68H110O33,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(OC2OCC(O)C(O)C2O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O,"InChI=1S/C68H110O33/c1-26-50(96-57-48(85)51(32(74)25-90-57)97-55-45(82)38(75)29(71)22-88-55)52(98-56-46(83)39(76)30(72)23-89-56)49(86)59(92-26)99-53-40(77)31(73)24-91-60(53)101-62(87)68-17-15-63(2,3)19-28(68)27-9-10-36-65(6)13-12-37(64(4,5)35(65)11-14-67(36,8)66(27,7)16-18-68)95-61-54(44(81)42(79)34(21-70)94-61)100-58-47(84)43(80)41(78)33(20-69)93-58/h9,26,28-61,69-86H,10-25H2,1-8H3",QWABEDSRNSIDQD,UHFFFAOYSA,N,Acutoside G,QWABEDSRNSIDQD-UHFFFAOYSA-N
HMDB31168,548.480460536,C35H64O4,CCCCCCCCCCCC\C=C/CCC(O)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H64O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h19,22,30-31,33-34,36-37H,3-18,20-21,23-29H2,1-2H3/b22-19-",GFUJWCRMULHYHE,QOCHGBHMSA,N,Cohibin A,GFUJWCRMULHYHE-QOCHGBHMSA-N
HMDB31169,548.480460536,C35H64O4,CCCCCCCCCCCCCC\C=C/CCC(O)C(O)CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H64O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-33(36)34(37)29-26-23-20-17-16-18-21-24-27-32-30-31(2)39-35(32)38/h19,22,30-31,33-34,36-37H,3-18,20-21,23-29H2,1-2H3/b22-19-",UYPWFMBFXBCPAC,QOCHGBHMSA,N,Cohibin B,UYPWFMBFXBCPAC-QOCHGBHMSA-N
HMDB31170,622.480854466,C37H66O7,CCCCCCCCCCCCC(O)C1CCC(O1)C1CCCC(O1)C(O)CCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-13-16-21-32(40)34-24-25-36(44-34)35-23-18-22-33(43-35)31(39)20-17-14-11-12-15-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3",AQGAHXFRKSQXSN,UHFFFAOYSA,N,Muconin,AQGAHXFRKSQXSN-UHFFFAOYSA-N
HMDB31171,622.480854466,C37H66O7,CCCCCCCCCCCCCCCCCC(O)C1CC(O)C(O1)C1CCC(O1)C(O)CCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-31(39)35-27-32(40)36(44-35)34-25-24-33(43-34)30(38)22-20-17-18-21-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3",DVOUJRUFCBNRQW,UHFFFAOYSA,N,Mucoxin,DVOUJRUFCBNRQW-UHFFFAOYSA-N
HMDB31172,161.047678473,C9H7NO2,OC1=CC2=C(C=C1)C(C=O)=CN2,"InChI=1S/C9H7NO2/c11-5-6-4-10-9-3-7(12)1-2-8(6)9/h1-5,10,12H",FAFBOYSDWMRMLQ,UHFFFAOYSA,N,3-Formyl-6-hydroxyindole,FAFBOYSDWMRMLQ-UHFFFAOYSA-N
HMDB31173,190.074227574,C10H10N2O2,NC(=O)CC1=CNC2=C1C=CC(O)=C2,"InChI=1S/C10H10N2O2/c11-10(14)3-6-5-12-9-4-7(13)1-2-8(6)9/h1-2,4-5,12-13H,3H2,(H2,11,14)",PGXXGODNTPWQHZ,UHFFFAOYSA,N,6-Hydroxy-1H-indole-3-acetamide,PGXXGODNTPWQHZ-UHFFFAOYSA-N
HMDB31174,128.083729628,C7H12O2,CC1CCC(=O)OC1C,"InChI=1S/C7H12O2/c1-5-3-4-7(8)9-6(5)2/h5-6H,3-4H2,1-2H3",HAXARIVGMMVELD,UHFFFAOYSA,N,4-Methyl-5-hexanolide,HAXARIVGMMVELD-UHFFFAOYSA-N
HMDB31175,102.068079564,C5H10O2,OCC1CCCO1,"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2",BSYVTEYKTMYBMK,UHFFFAOYSA,N,Tetrahydro-2-furanmethanol,BSYVTEYKTMYBMK-UHFFFAOYSA-N
HMDB31176,144.07864425,C7H12O3,CC(=O)OCC1CCCO1,"InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3",AAQDYYFAFXGBFZ,UHFFFAOYSA,N,Tetrahydrofurfuryl acetate,AAQDYYFAFXGBFZ-UHFFFAOYSA-N
HMDB31177,158.094294314,C8H14O3,CCC(=O)OCC1CCCO1,"InChI=1S/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3",FMKCDSXOYLTWBR,UHFFFAOYSA,N,Tetrahydrofurfuryl propionate,FMKCDSXOYLTWBR-UHFFFAOYSA-N
HMDB31178,100.0524295,C5H8O2,CC1OCCC1=O,"InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3",FCWYQRVIQDNGBI,UHFFFAOYSA,N,Dihydro-2-methyl-3(2H)-furanone,FCWYQRVIQDNGBI-UHFFFAOYSA-N
HMDB31179,155.131014171,C9H17NO,CC1(C)CC(=O)CC(C)(C)N1,"InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3",JWUXJYZVKZKLTJ,UHFFFAOYSA,N,"2,2,6,6-Tetramethyl-4-piperidinone",JWUXJYZVKZKLTJ-UHFFFAOYSA-N
HMDB31180,110.036779436,C6H6O2,O=C\C=C\C=C/C=O,"InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h1-6H/b3-1-,4-2+",NDCAAPXLWRAESY,HSFFGMMNSA,N,"(E,E)-2,4-Hexadienedial",NDCAAPXLWRAESY-HSFFGMMNSA-N
HMDB31181,180.151415262,C12H20O,CCCCCCC1=C(C)CCC1=O,"InChI=1S/C12H20O/c1-3-4-5-6-7-11-10(2)8-9-12(11)13/h3-9H2,1-2H3",JAPZZAUIIPKQJW,UHFFFAOYSA,N,Homodihydrojasmone,JAPZZAUIIPKQJW-UHFFFAOYSA-N
HMDB31182,337.116151967,C16H19NO7,O[C@H]1[C@H](O)[C@@H](O)[C@H](OC(=O)CC2=CNC3=CC=CC=C23)[C@H](O)[C@@H]1O,"InChI=1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11-,12-,13+,14-,15-,16-/m1/s1",XUACNUJFOIKYPQ,BKQXGZDCSA,N,1H-Indol-3-ylacetyl-myo-inositol,XUACNUJFOIKYPQ-BKQXGZDCSA-N
HMDB31183,289.204179113,C18H27NO2,C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)(C)O,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+",CRPPMKFSMRODIQ,FMBIJHKPSA,N,"N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide",CRPPMKFSMRODIQ-FMBIJHKPSA-N
HMDB31184,273.209264491,C18H27NO,C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)C,"InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+",KVUKDCFEXVWYBN,FMBIJHKPSA,N,"N-Isobutyl-2,4,8,10,12-tetradecapentaenamide",KVUKDCFEXVWYBN-FMBIJHKPSA-N
HMDB31185,155.919582888,C2H4S4,C1SSCSS1,InChI=1S/C2H4S4/c1-3-5-2-6-4-1/h1-2H2,VXTWQLLUXWBOGW,UHFFFAOYSA,N,"1,2,4,5-Tetrathiane",VXTWQLLUXWBOGW-UHFFFAOYSA-N
HMDB31186,192.039104396,C6H12N2OS2,CC1SC(C)N(N=O)C(C)S1,"InChI=1S/C6H12N2OS2/c1-4-8(7-9)5(2)11-6(3)10-4/h4-6H,1-3H3",HAKZNKDZKQNRNW,UHFFFAOYSA,N,N-Nitrosothialdine,HAKZNKDZKQNRNW-UHFFFAOYSA-N
HMDB31187,163.048940801,C6H13NS2,CC1NC(C)SC(C)S1,"InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3",FBMVFHKKLDGLJA,UHFFFAOYSA,N,Thialdine,FBMVFHKKLDGLJA-UHFFFAOYSA-N
HMDB31188,75.99828544,C2H4OS,CC(S)=O,"InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)",DUYAAUVXQSMXQP,UHFFFAOYSA,N,Ethanethioic acid,DUYAAUVXQSMXQP-UHFFFAOYSA-N
HMDB31189,90.013935504,C3H6OS,CSC(C)=O,InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3,OATSQCXMYKYFQO,UHFFFAOYSA,N,S-Methyl thioacetate,OATSQCXMYKYFQO-UHFFFAOYSA-N
HMDB31190,104.029585568,C4H8OS,CCSC(C)=O,"InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3",APTGPWJUOYMUCE,UHFFFAOYSA,N,S-Ethyl thioacetate,APTGPWJUOYMUCE-UHFFFAOYSA-N
HMDB31191,118.045235632,C5H10OS,CCCC(=O)SC,"InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3",GRLJIIJNZJVMGP,UHFFFAOYSA,N,S-Methyl butanethioate,GRLJIIJNZJVMGP-UHFFFAOYSA-N
HMDB31192,104.029585568,C4H8OS,CCC(=O)SC,"InChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3",AIILTVHCLAEMDA,UHFFFAOYSA,N,S-Methyl propanethioate,AIILTVHCLAEMDA-UHFFFAOYSA-N
HMDB31193,176.032087988,C6H8O6,OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",KQTIIICEAUMSDG,UHFFFAOYSA,N,"1,2,3-Propanetricarboxylic acid",KQTIIICEAUMSDG-UHFFFAOYSA-N
HMDB31194,178.135765198,C12H18O,CC12C3CC(CC13)C2(C)CCC=O,"InChI=1S/C12H18O/c1-11(4-3-5-13)8-6-9-10(7-8)12(9,11)2/h5,8-10H,3-4,6-7H2,1-2H3",GBXFUOBZYUTFOP,UHFFFAOYSA,N,Tricycloekasantal,GBXFUOBZYUTFOP-UHFFFAOYSA-N
HMDB31195,138.10446507,C9H14O,CC1=CC(=O)CC(C)(C)C1,"InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3",HJOVHMDZYOCNQW,UHFFFAOYSA,N,"3,5,5-Trimethyl-2-cyclohexen-1-one",HJOVHMDZYOCNQW-UHFFFAOYSA-N
HMDB31196,98.073164942,C6H10O,CC(C)\C=C/C=O,"InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3-",RIWPMNBTULNXOH,ARJAWSKDSA,N,4-Methyl-2-pentenal,RIWPMNBTULNXOH-ARJAWSKDSA-N
HMDB31197,126.10446507,C8H14O,CC1CC(C)(C)CC1=O,"InChI=1S/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3",OXTQEWUBDTVSFB,UHFFFAOYSA,N,"2,4,4-Trimethylcyclopentanone",OXTQEWUBDTVSFB-UHFFFAOYSA-N
HMDB31198,144.151415262,C9H20O,CC(CCO)CC(C)(C)C,"InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3",BODRLKRKPXBDBN,UHFFFAOYSA,N,"(±)-3,5,5-Trimethyl-1-hexanol",BODRLKRKPXBDBN-UHFFFAOYSA-N
HMDB31199,113.084063979,C6H11NO,CC1OC(C)C(C)=N1,"InChI=1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3",YFSGRMONVCFYTC,UHFFFAOYSA,N,"2,5-Dihydro-2,4,5-trimethyloxazole",YFSGRMONVCFYTC-UHFFFAOYSA-N
HMDB31200,207.056528599,C7H13NO4S,CC(C)(CS(O)(=O)=O)NC(=O)C=C,"InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)",XHZPRMZZQOIPDS,UHFFFAOYSA,N,2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid,XHZPRMZZQOIPDS-UHFFFAOYSA-N
HMDB31201,136.073558872,C5H12O4,OCC(O)CC(O)CO,"InChI=1S/C5H12O4/c6-2-4(8)1-5(9)3-7/h4-9H,1-3H2",VHDMXHLHMMROPO,UHFFFAOYSA,N,3-Deoxy-D-arabinitol,VHDMXHLHMMROPO-UHFFFAOYSA-N
HMDB31202,215.236147943,C12H29N3,CN(C)CCCCNCCCCN(C)C,"InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3",QUMHDXJIDPCZCB,UHFFFAOYSA,N,Solamine,QUMHDXJIDPCZCB-UHFFFAOYSA-N
HMDB31203,327.324962949,C19H41N3O,CCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C,"InChI=1S/C19H41N3O/c1-6-7-8-9-14-19(23)22(17-12-10-15-20(2)3)18-13-11-16-21(4)5/h6-18H2,1-5H3",PPWRHGUJPRPAQC,UHFFFAOYSA,N,N-Heptanoylsolamine,PPWRHGUJPRPAQC-UHFFFAOYSA-N
HMDB31204,118.02660868,C4H6O4,OCCC(=O)C(O)=O,"InChI=1S/C4H6O4/c5-2-1-3(6)4(7)8/h5H,1-2H2,(H,7,8)",PUWWONYMIXRVQF,UHFFFAOYSA,N,4-Hydroxy-2-oxobutanoic acid,PUWWONYMIXRVQF-UHFFFAOYSA-N
HMDB31205,154.172150704,C11H22,CCCCCC\C=C\CCC,"InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+",JABYJIQOLGWMQW,VQHVLOKHSA,N,(E)-4-Undecene,JABYJIQOLGWMQW-VQHVLOKHSA-N
HMDB31206,86.073164942,C5H10O,CCCCC=O,"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",HGBOYTHUEUWSSQ,UHFFFAOYSA,N,Pentanal,HGBOYTHUEUWSSQ-UHFFFAOYSA-N
HMDB31207,116.083729628,C6H12O2,CCCCC(=O)OC,"InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3",HNBDRPTVWVGKBR,UHFFFAOYSA,N,Methyl pentanoate,HNBDRPTVWVGKBR-UHFFFAOYSA-N
HMDB31208,162.10446507,C11H14O,CCCCC(=O)C1=CC=CC=C1,"InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",XKGLSKVNOSHTAD,UHFFFAOYSA,N,1-Phenyl-1-pentanone,XKGLSKVNOSHTAD-UHFFFAOYSA-N
HMDB31209,86.036779436,C4H6O2,CC(=O)OC=C,"InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3",XTXRWKRVRITETP,UHFFFAOYSA,N,Ethenyl acetate,XTXRWKRVRITETP-UHFFFAOYSA-N
HMDB31210,158.021523302,C6H6O5,CC1(OC(=O)C(O)=C1)C(O)=O,"InChI=1S/C6H6O5/c1-6(5(9)10)2-3(7)4(8)11-6/h2,7H,1H3,(H,9,10)",FMOWGHRAYUFXIG,UHFFFAOYSA,N,Zymonic acid,FMOWGHRAYUFXIG-UHFFFAOYSA-N
HMDB31211,377.87063112,C12H8Cl6O,ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,"InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2",DFBKLUNHFCTMDC,UHFFFAOYSA,N,Endrin,DFBKLUNHFCTMDC-UHFFFAOYSA-N
HMDB31212,104.047344122,C4H8O3,CCOCC(O)=O,"InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)",YZGQDNOIGFBYKF,UHFFFAOYSA,N,Ethoxyacetic acid,YZGQDNOIGFBYKF-UHFFFAOYSA-N
HMDB31213,90.068079564,C4H10O2,CCOCCO,"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3",ZNQVEEAIQZEUHB,UHFFFAOYSA,N,2-Ethoxyethanol,ZNQVEEAIQZEUHB-UHFFFAOYSA-N
HMDB31214,130.062994186,C6H10O3,CCOC1CCC(=O)O1,"InChI=1S/C6H10O3/c1-2-8-6-4-3-5(7)9-6/h6H,2-4H2,1H3",RGFKJRWDZOGFEG,UHFFFAOYSA,N,"5-Ethoxy-4,5-dihydro-2(3H)furanone",RGFKJRWDZOGFEG-UHFFFAOYSA-N
HMDB31215,87.068413915,C4H9NO,CCNC(C)=O,"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)",PMDCZENCAXMSOU,UHFFFAOYSA,N,N-Ethylacetamide,PMDCZENCAXMSOU-UHFFFAOYSA-N
HMDB31216,130.062994186,C6H10O3,CCOC(=O)CC(C)=O,"InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3",XYIBRDXRRQCHLP,UHFFFAOYSA,N,Ethyl acetoacetate,XYIBRDXRRQCHLP-UHFFFAOYSA-N
HMDB31217,88.0524295,C4H8O2,CCOC(C)=O,"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",XEKOWRVHYACXOJ,UHFFFAOYSA,N,Ethyl acetate,XEKOWRVHYACXOJ-UHFFFAOYSA-N
HMDB31218,130.062994186,C6H10O3,CCOC(=O)CC(C)=O,"InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3",XYIBRDXRRQCHLP,UHFFFAOYSA,N,Ethyl 3-oxobutanoate,XYIBRDXRRQCHLP-UHFFFAOYSA-N
HMDB31219,89.047678473,C3H7NO2,CCOC(N)=O,"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)",JOYRKODLDBILNP,UHFFFAOYSA,N,Ethyl carbamate,JOYRKODLDBILNP-UHFFFAOYSA-N
HMDB31220,100.088815006,C6H12O,CCC(CC)C=O,"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3",UNNGUFMVYQJGTD,UHFFFAOYSA,N,2-Ethylbutanal,UNNGUFMVYQJGTD-UHFFFAOYSA-N
HMDB31221,116.083729628,C6H12O2,CCC(CC)C(O)=O,"InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",OXQGTIUCKGYOAA,UHFFFAOYSA,N,2-Ethylbutanoic acid,OXQGTIUCKGYOAA-UHFFFAOYSA-N
HMDB31222,126.068079564,C7H10O2,CCC1CCC(=O)C1=O,"InChI=1S/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h5H,2-4H2,1H3",RRVYBPVLSILURP,UHFFFAOYSA,N,"3-Ethyl-1,2-cyclopentanedione",RRVYBPVLSILURP-UHFFFAOYSA-N
HMDB31223,126.068079564,C7H10O2,CCC1=C(O)C(=O)CC1,"InChI=1S/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h9H,2-4H2,1H3",JHWFWLUAUPZUCP,UHFFFAOYSA,N,"Enol-3-Ethyl-1,2-cyclopentanedione",JHWFWLUAUPZUCP-UHFFFAOYSA-N
HMDB31224,255.920920312,C4H6N2Na2S4,[Na+].[Na+].[S-]C(=S)NCCNC([S-])=S,"InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2",UQJQVUOTMVCFHX,UHFFFAOYSA,L,Nabam,UQJQVUOTMVCFHX-UHFFFAOYSA-L
HMDB31225,60.068748266,C2H8N2,NCCN,InChI=1S/C2H8N2/c3-1-2-4/h1-4H2,PIICEJLVQHRZGT,UHFFFAOYSA,N,"1,2-Ethanediamine",PIICEJLVQHRZGT-UHFFFAOYSA-N
HMDB31226,105.053826483,C2H7N3O2,NCCNN(=O)=O,"InChI=1S/C2H7N3O2/c3-1-2-4-5(6)7/h4H,1-3H2",ITPVQLRLLYSOCJ,UHFFFAOYSA,N,N-Nitroethylenediamine,ITPVQLRLLYSOCJ-UHFFFAOYSA-N
HMDB31227,758.381868704,C48H54O8,CC(C)(OC1=C2C=C(C(=O)OC2=C(OC2=C3C=C(C(=O)OC3=C(C3=C2C=CC(C)(C)O3)C(C)(C)C=C)C(C)(C)C=C)C2=C1C=CC(C)(C)O2)C(C)(C)C=C)C=C,"InChI=1S/C48H54O8/c1-17-43(5,6)31-25-29-34(27-21-23-47(13,14)55-37(27)33(45(9,10)19-3)36(29)52-41(31)49)51-40-38-30(26-32(42(50)53-38)44(7,8)18-2)35(54-46(11,12)20-4)28-22-24-48(15,16)56-39(28)40/h17-26H,1-4H2,5-16H3",NBUQNPBZWAGFSQ,UHFFFAOYSA,N,Marshdimerin,NBUQNPBZWAGFSQ-UHFFFAOYSA-N
HMDB31228,620.465204402,C37H64O7,CCCCCCCCCC\C=C/CCC(O)C1CCC(O1)C(O)CCCCCC(=O)CCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C37H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33(40)35-25-26-36(44-35)34(41)24-17-14-15-20-31(39)21-18-19-22-32-28-30(27-29(2)38)37(42)43-32/h12-13,30,32-36,40-41H,3-11,14-28H2,1-2H3/b13-12-",MEZMFFSHBLPWKU,SEYXRHQNSA,N,Mosinone A,MEZMFFSHBLPWKU-SEYXRHQNSA-N
HMDB31229,74.036779436,C3H6O2,CCOC=O,"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3",WBJINCZRORDGAQ,UHFFFAOYSA,N,Ethyl formate,WBJINCZRORDGAQ-UHFFFAOYSA-N
HMDB31230,144.115029756,C8H16O2,CCCCC(CC)C(O)=O,"InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",OBETXYAYXDNJHR,UHFFFAOYSA,N,2-Ethylhexanoic acid,OBETXYAYXDNJHR-UHFFFAOYSA-N
HMDB31231,130.135765198,C8H18O,CCCCC(CC)CO,"InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3",YIWUKEYIRIRTPP,UHFFFAOYSA,N,xi-2-Ethyl-1-hexanol,YIWUKEYIRIRTPP-UHFFFAOYSA-N
HMDB31232,90.031694058,C3H6O3,CCOC(O)=O,"InChI=1S/C3H6O3/c1-2-6-3(4)5/h2H2,1H3,(H,4,5)",CQDGTJPVBWZJAZ,UHFFFAOYSA,N,Monoethyl carbonate,CQDGTJPVBWZJAZ-UHFFFAOYSA-N
HMDB31233,125.99867937,C2H6O4S,CCOS(O)(=O)=O,"InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)",KIWBPDUYBMNFTB,UHFFFAOYSA,N,Ethyl hydrogen sulfate,KIWBPDUYBMNFTB-UHFFFAOYSA-N
HMDB31234,574.141638436,C38H22O6,OC1=CC=C(C=C1)C1=C2C(=O)C(O)=C(C3=CC=CC(C=C1)=C23)C1=C(O)C(=O)C2=C(C=CC3=C2C1=CC=C3)C1=CC=C(O)C=C1,"InChI=1S/C38H22O6/c39-23-13-7-19(8-14-23)25-17-11-21-3-1-5-27-29(21)31(25)35(41)37(43)33(27)34-28-6-2-4-22-12-18-26(20-9-15-24(40)16-10-20)32(30(22)28)36(42)38(34)44/h1-18,39-40,43-44H",QDYVWJODKPDRFG,UHFFFAOYSA,N,"3,3'-Bis(4''-hydroxyanigorufone)",QDYVWJODKPDRFG-UHFFFAOYSA-N
HMDB31235,408.193674006,C25H28O5,CC(C)=CCC1=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C(CC=C(C)C)=C1O,"InChI=1S/C25H28O5/c1-15(2)5-12-19-23(28)20(13-6-16(3)4)25(30)22(24(19)29)21(27)14-9-17-7-10-18(26)11-8-17/h5-11,14,26,28-30H,12-13H2,1-4H3/b14-9+",DOJVDXBXUHQIRO,NTEUORMPSA,N,"(E)-2',4,4',6'-Tetrahydroxy-3',5'-diprenylchalcone",DOJVDXBXUHQIRO-NTEUORMPSA-N
HMDB31236,408.193674006,C25H28O5,CC(C)=CCC\C(C)=C\CC1=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C=C1O,"InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-13-20-22(28)15-23(29)24(25(20)30)21(27)14-10-18-8-11-19(26)12-9-18/h5,7-12,14-15,26,28-30H,4,6,13H2,1-3H3/b14-10+,17-7+",GVXVZXDPRNGAOE,ZCFXJLACSA,N,"3'-Geranyl-2',4,4',6'-tetrahydroxychalcone",GVXVZXDPRNGAOE-ZCFXJLACSA-N
HMDB31237,244.094688244,C11H16O6,COC1=CC(=CC(OC)=C1O)C(O)C(O)CO,"InChI=1S/C11H16O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,10,12-15H,5H2,1-2H3",GIZSHQYTTBQKOQ,UHFFFAOYSA,N,threo-Syringoylglycerol,GIZSHQYTTBQKOQ-UHFFFAOYSA-N
HMDB31238,76.034670946,C3H8S,CCSC,"InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3",WXEHBUMAEPOYKP,UHFFFAOYSA,N,Ethyl methyl sulfide,WXEHBUMAEPOYKP-UHFFFAOYSA-N
HMDB31239,75.032028409,C2H5NO2,CCON=O,"InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3",QQZWEECEMNQSTG,UHFFFAOYSA,N,Ethyl nitrite,QQZWEECEMNQSTG-UHFFFAOYSA-N
HMDB31240,180.07864425,C10H12O3,OCC1COC(O1)C1=CC=CC=C1,"InChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2",AUDDNHGBAJNKEH,UHFFFAOYSA,N,"2-Phenyl-1,3-dioxolane-4-methanol",AUDDNHGBAJNKEH-UHFFFAOYSA-N
HMDB31241,102.068079564,C5H10O2,CC(C)OC(C)=O,"InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3",JMMWKPVZQRWMSS,UHFFFAOYSA,N,Isopropyl acetate,JMMWKPVZQRWMSS-UHFFFAOYSA-N
HMDB31242,102.013935504,C4H6OS,O=C1CCSC1,InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2,DSXFPRKPFJRPIB,UHFFFAOYSA,N,Dihydro-3(2H)-thiophenone,DSXFPRKPFJRPIB-UHFFFAOYSA-N
HMDB31243,72.057514878,C4H8O,CC(C)C=O,"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3",AMIMRNSIRUDHCM,UHFFFAOYSA,N,2-Methylpropanal,AMIMRNSIRUDHCM-UHFFFAOYSA-N
HMDB31244,115.136099549,C7H17N,CCCNCC(C)C,"InChI=1S/C7H17N/c1-4-5-8-6-7(2)3/h7-8H,4-6H2,1-3H3",SQGSVBHTFQOZDL,UHFFFAOYSA,N,Isobutylpropylamine,SQGSVBHTFQOZDL-UHFFFAOYSA-N
HMDB31245,90.05032101,C4H10S,CC(C)CS,"InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3",BDFAOUQQXJIZDG,UHFFFAOYSA,N,2-Methyl-1-propanethiol,BDFAOUQQXJIZDG-UHFFFAOYSA-N
HMDB31246,116.083729628,C6H12O2,CC(C)COC(C)=O,"InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3",GJRQTCIYDGXPES,UHFFFAOYSA,N,2-Methylpropyl acetate,GJRQTCIYDGXPES-UHFFFAOYSA-N
HMDB31247,102.068079564,C5H10O2,CC(C)COC=O,"InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3",AVMSWPWPYJVYKY,UHFFFAOYSA,N,2-Methylpropyl formate,AVMSWPWPYJVYKY-UHFFFAOYSA-N
HMDB31248,116.083729628,C6H12O2,CCOC(=O)C(C)C,"InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3",WDAXFOBOLVPGLV,UHFFFAOYSA,N,Ethyl 2-methylpropanoate,WDAXFOBOLVPGLV-UHFFFAOYSA-N
HMDB31249,102.068079564,C5H10O2,COC(=O)C(C)C,"InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3",BHIWKHZACMWKOJ,UHFFFAOYSA,N,Methyl isobutyrate,BHIWKHZACMWKOJ-UHFFFAOYSA-N
HMDB31250,178.099379692,C11H14O2,CC(C)C(=O)OCC1=CC=CC=C1,"InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",UIKJRDSCEYGECG,UHFFFAOYSA,N,Phenylmethyl 2-methylpropanoate,UIKJRDSCEYGECG-UHFFFAOYSA-N
HMDB31252,199.933422824,C3H5IO2,OC(=O)CCI,"InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)",KMRNTNDWADEIIX,UHFFFAOYSA,N,3-Iodopropanoic acid,KMRNTNDWADEIIX-UHFFFAOYSA-N
HMDB31253,102.013935504,C4H6OS,O=C1CCCS1,InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2,KMSNYNIWEORQDJ,UHFFFAOYSA,N,Dihydro-2(3H)-thiophenone,KMSNYNIWEORQDJ-UHFFFAOYSA-N
HMDB31254,401.147452095,C21H23NO7,COC1=C(C(O)C2OC2(C)C)C2=C(C(O)=C1)C(=O)C1=C(N2C)C(OC)=C(O)C=C1,"InChI=1S/C21H23NO7/c1-21(2)20(29-21)18(26)14-12(27-4)8-11(24)13-16(14)22(3)15-9(17(13)25)6-7-10(23)19(15)28-5/h6-8,18,20,23-24,26H,1-5H3",LROWEGBUANNUOY,UHFFFAOYSA,N,Margrapine A,LROWEGBUANNUOY-UHFFFAOYSA-N
HMDB31255,210.017580783,C6H7FO7,OC(=O)CC(O)(C(F)C(O)=O)C(O)=O,"InChI=1S/C6H7FO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1H2,(H,8,9)(H,10,11)(H,12,13)",DGXLYHAWEBCTRU,UHFFFAOYSA,N,Fluorocitric acid,DGXLYHAWEBCTRU-UHFFFAOYSA-N
HMDB31256,126.031694058,C6H6O3,OC1=C(COC=C1)C=O,"InChI=1S/C6H6O3/c7-3-5-4-9-2-1-6(5)8/h1-3,8H,4H2",ZNUNRMPPGAAKKR,UHFFFAOYSA,N,4-Hydroxy-2H-pyran-3-carboxaldehyde,ZNUNRMPPGAAKKR-UHFFFAOYSA-N
HMDB31257,144.042258744,C6H8O4,COC(=O)\C=C/C(=O)OC,"InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-",LDCRTTXIJACKKU,ARJAWSKDSA,N,Dimethyl fumarate,LDCRTTXIJACKKU-ARJAWSKDSA-N
HMDB31258,187.891653578,C2H4S5,C1SSCSSS1,InChI=1S/C2H4S5/c1-3-4-2-6-7-5-1/h1-2H2,DZKOKXZNCDGVRY,UHFFFAOYSA,N,Lenthionine,DZKOKXZNCDGVRY-UHFFFAOYSA-N
HMDB31259,103.099714043,C5H13NO,[OH-].C[N+](C)(C)C=C,"InChI=1S/C5H12N.H2O/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H2/q+1;/p-1",NIPLIJLVGZCKMP,UHFFFAOYSA,M,Neurine,NIPLIJLVGZCKMP-UHFFFAOYSA-M
HMDB31260,222.140850576,C17H18,CC#CC#CC#C\C=C\C=C\CCCCC=C,"InChI=1S/C17H18/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,13,15-17H,1,5,7,9,11H2,2H3/b15-13+,17-16+",LEQCZKIMKYGCIQ,TZSXFDEBSA,N,"(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne",LEQCZKIMKYGCIQ-TZSXFDEBSA-N
HMDB31261,138.10446507,C9H14O,CC\C=C/CC\C=C/C=O,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7-",HZYHMHHBBBSGHB,KPDBFRNYSA,N,"(2E,6E)-2,6-Nonadienal",HZYHMHHBBBSGHB-KPDBFRNYSA-N
HMDB31262,140.120115134,C9H16O,CC\C=C/CC\C=C/CO,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3/b4-3-,8-7-",AMXYRHBJZOVHOL,KPDBFRNYSA,N,"2,6-Nonadien-1-ol",AMXYRHBJZOVHOL-KPDBFRNYSA-N
HMDB31263,156.115029756,C9H16O2,CCCCCC(=O)CC(C)=O,"InChI=1S/C9H16O2/c1-3-4-5-6-9(11)7-8(2)10/h3-7H2,1-2H3",KFBXUKHERGLHLG,UHFFFAOYSA,N,"2,4-Nonanedione",KFBXUKHERGLHLG-UHFFFAOYSA-N
HMDB31264,172.146329884,C10H20O2,CCCCCCCCC(=O)OC,"InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3",IJXHLVMUNBOGRR,UHFFFAOYSA,N,Methyl nonanoate,IJXHLVMUNBOGRR-UHFFFAOYSA-N
HMDB31265,144.151415262,C9H20O,CCCCCCCCCO,"InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",ZWRUINPWMLAQRD,UHFFFAOYSA,N,1-Nonanol,ZWRUINPWMLAQRD-UHFFFAOYSA-N
HMDB31266,142.135765198,C9H18O,CCCCCCCC(C)=O,"InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3",VKCYHJWLYTUGCC,UHFFFAOYSA,N,2-Nonanone,VKCYHJWLYTUGCC-UHFFFAOYSA-N
HMDB31267,142.135765198,C9H18O,CCCCCCC(=O)CC,"InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3",IYTXKIXETAELAV,UHFFFAOYSA,N,3-Nonanone,IYTXKIXETAELAV-UHFFFAOYSA-N
HMDB31268,142.135765198,C9H18O,CCCCCC(=O)CCC,"InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3",TYBCSQFBSWACAA,UHFFFAOYSA,N,Amyl propyl ketone,TYBCSQFBSWACAA-UHFFFAOYSA-N
HMDB31269,140.120115134,C9H16O,CCCCCC\C=C/C=O,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7-",BSAIUMLZVGUGKX,FPLPWBNLSA,N,2-Nonenal,BSAIUMLZVGUGKX-FPLPWBNLSA-N
HMDB31270,126.140850576,C9H18,CCCCCCCC=C,"InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3",JRZJOMJEPLMPRA,UHFFFAOYSA,N,1-Nonene,JRZJOMJEPLMPRA-UHFFFAOYSA-N
HMDB31271,156.115029756,C9H16O2,CCCCCC\C=C/C(O)=O,"InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7-",ADLXTJMPCFOTOO,FPLPWBNLSA,N,2-Nonenoic acid,ADLXTJMPCFOTOO-FPLPWBNLSA-N
HMDB31272,184.146329884,C11H20O2,CCCCCC\C=C/C(=O)OCC,"InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h9-10H,3-8H2,1-2H3/b10-9-",ZCSDUGXKKBIICL,KTKRTIGZSA,N,Ethyl (E)-2-nonenoate,ZCSDUGXKKBIICL-KTKRTIGZSA-N
HMDB31273,168.115029756,C10H16O2,CCCCCCC#CC(=O)OC,"InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3",NTLJTUMJJWVCTL,UHFFFAOYSA,N,Methyl octynecarboxylate,NTLJTUMJJWVCTL-UHFFFAOYSA-N
HMDB31274,636.096263964,C27H24O18,OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)21(38)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2",YYJNEVBVNQOVIM,UHFFFAOYSA,N,"1,3,4-Trigalloyl-beta-D-glucopyranose",YYJNEVBVNQOVIM-UHFFFAOYSA-N
HMDB31275,524.553231548,C35H72O2,CCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCCC,"InChI=1S/C35H72O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-35(37)33-34(36)31-29-27-8-6-4-2/h34-37H,3-33H2,1-2H3",MFPJMDCXGYIZMF,UHFFFAOYSA,N,"erythro-8,10-Pentatriacontanediol",MFPJMDCXGYIZMF-UHFFFAOYSA-N
HMDB31276,496.52193142,C33H68O2,CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCCC,"InChI=1S/C33H68O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-33(35)31-32(34)29-27-25-8-6-4-2/h32-35H,3-31H2,1-2H3",GZDHMHSDMDWLIJ,UHFFFAOYSA,N,"erythro-8,10-Tritriacontanediol",GZDHMHSDMDWLIJ-UHFFFAOYSA-N
HMDB31277,468.490631292,C31H64O2,CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCCC,"InChI=1S/C31H64O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-31(33)29-30(32)27-25-23-8-6-4-2/h30-33H,3-29H2,1-2H3",DUCBDPSSCKLKQI,UHFFFAOYSA,N,"erythro-8,10-Hentriacontanediol",DUCBDPSSCKLKQI-UHFFFAOYSA-N
HMDB31278,412.428031036,C27H56O2,CCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCCC,"InChI=1S/C27H56O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-27(29)25-26(28)23-21-19-8-6-4-2/h26-29H,3-25H2,1-2H3",UCRIYJGAQPNYAP,UHFFFAOYSA,N,"erythro-8,10-Heptacosanediol",UCRIYJGAQPNYAP-UHFFFAOYSA-N
HMDB31279,415.163102159,C22H25NO7,COC1=C(OC)C2=C(C=C1)C(=O)C1=C(N2C)C(C(O)C2OC2(C)C)=C(OC)C=C1O,"InChI=1S/C22H25NO7/c1-22(2)21(30-22)19(26)15-13(28-5)9-11(24)14-17(15)23(3)16-10(18(14)25)7-8-12(27-4)20(16)29-6/h7-9,19,21,24,26H,1-6H3",IPKWOZPFADULKT,UHFFFAOYSA,N,Margrapine B,IPKWOZPFADULKT-UHFFFAOYSA-N
HMDB31280,440.459331164,C29H60O2,CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCCC,"InChI=1S/C29H60O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26-29(31)27-28(30)25-23-21-8-6-4-2/h28-31H,3-27H2,1-2H3",IEHFWLFCKJUZHC,UHFFFAOYSA,N,"erythro-8,10-Nonacosanediol",IEHFWLFCKJUZHC-UHFFFAOYSA-N
HMDB31281,510.537581484,C34H70O2,CCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC,"InChI=1S/C34H70O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-34(36)32-33(35)30-28-8-6-4-2/h33-36H,3-32H2,1-2H3",NYYUWEYTAIMBFM,UHFFFAOYSA,N,"erythro-7,9-Tetratriacontanediol",NYYUWEYTAIMBFM-UHFFFAOYSA-N
HMDB31282,482.506281356,C32H66O2,CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC,"InChI=1S/C32H66O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-32(34)30-31(33)28-26-8-6-4-2/h31-34H,3-30H2,1-2H3",PQOVJTQCPQRHKK,UHFFFAOYSA,N,"erythro-7,9-Dotriacontanediol",PQOVJTQCPQRHKK-UHFFFAOYSA-N
HMDB31283,538.568881612,C36H74O2,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C36H74O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-36(38)34-35(37)32-30-6-4-2/h35-38H,3-34H2,1-2H3",KGHDZWXKKZDUJI,UHFFFAOYSA,N,"erythro-6,8-Hexatriacontanediol",KGHDZWXKKZDUJI-UHFFFAOYSA-N
HMDB31284,538.568881612,C36H74O2,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC,"InChI=1S/C36H74O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-36(38)34-35(37)32-30-8-6-4-2/h35-38H,3-34H2,1-2H3",KOOOARAKYHSCME,UHFFFAOYSA,N,"erythro-7,9-Hexatriacontanediol",KOOOARAKYHSCME-UHFFFAOYSA-N
HMDB31285,454.474981228,C30H62O2,CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC,"InChI=1S/C30H62O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(32)28-29(31)26-24-8-6-4-2/h29-32H,3-28H2,1-2H3",MIXYSAWRFFFBTD,UHFFFAOYSA,N,"erythro-7,9-Triacontanediol",MIXYSAWRFFFBTD-UHFFFAOYSA-N
HMDB31286,426.4436811,C28H58O2,CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC,"InChI=1S/C28H58O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(30)26-27(29)24-22-8-6-4-2/h27-30H,3-26H2,1-2H3",UQSRQSQPEYAPQO,UHFFFAOYSA,N,"erythro-7,9-Octacosanediol",UQSRQSQPEYAPQO-UHFFFAOYSA-N
HMDB31287,184.219100896,C13H28,CCCCCCCCCCC(C)C,"InChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3",HGEMCUOAMCILCP,UHFFFAOYSA,N,2-Methyldodecane,HGEMCUOAMCILCP-UHFFFAOYSA-N
HMDB31288,328.334130652,C21H44O2,OCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C21H44O2/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23/h22-23H,1-21H2",YDIUKXTYXBWRIP,UHFFFAOYSA,N,"1,21-Heneicosanediol",YDIUKXTYXBWRIP-UHFFFAOYSA-N
HMDB31289,342.110338308,C19H18O6,COC1=C(O)C(CC=C(C)C)=CC2=C1OC1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C19H18O6/c1-9(2)4-5-10-8-11-16(23)14-12(20)6-7-13(21)18(14)25-17(11)19(24-3)15(10)22/h4,6-8,20-22H,5H2,1-3H3",XOFZQNNUVXEIJS,UHFFFAOYSA,N,"1,4,6-Trihydroxy-5-methoxy-7-prenylxanthone",XOFZQNNUVXEIJS-UHFFFAOYSA-N
HMDB31290,144.115029756,C8H16O2,CCCCCC(=O)CCO,"InChI=1S/C8H16O2/c1-2-3-4-5-8(10)6-7-9/h9H,2-7H2,1H3",VGFJNJIGFHOBEJ,UHFFFAOYSA,N,1-Hydroxy-3-octanone,VGFJNJIGFHOBEJ-UHFFFAOYSA-N
HMDB31291,158.13067982,C9H18O2,CCCCCCCC(=O)OC,"InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3",JGHZJRVDZXSNKQ,UHFFFAOYSA,N,Methyl caprylate,JGHZJRVDZXSNKQ-UHFFFAOYSA-N
HMDB31292,199.98722564,C4F8,FC1(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10",BCCOBQSFUDVTJQ,UHFFFAOYSA,N,Octafluorocyclobutane,BCCOBQSFUDVTJQ-UHFFFAOYSA-N
HMDB31293,142.099379692,C8H14O2,CCCCCC(=O)C(C)=O,"InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3",XCBBNTFYSLADTO,UHFFFAOYSA,N,"2,3-Octanedione",XCBBNTFYSLADTO-UHFFFAOYSA-N
HMDB31294,128.120115134,C8H16O,CCCCCCC(C)=O,"InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3",ZPVFWPFBNIEHGJ,UHFFFAOYSA,N,2-Octanone,ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
HMDB31295,128.120115134,C8H16O,CCCCCC(=O)CC,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3",RHLVCLIPMVJYKS,UHFFFAOYSA,N,Ethyl pentyl ketone,RHLVCLIPMVJYKS-UHFFFAOYSA-N
HMDB31296,128.120115134,C8H16O,CCCCC\C=C/CO,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6-",AYQPVPFZWIQERS,SREVYHEPSA,N,(E)-2-Octen-1-ol,AYQPVPFZWIQERS-SREVYHEPSA-N
HMDB31297,170.13067982,C10H18O2,CCCCC\C=C/COC(C)=O,"InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7-",MBRLTLPMVMFRTJ,FPLPWBNLSA,N,2-Octenyl acetate,MBRLTLPMVMFRTJ-FPLPWBNLSA-N
HMDB31298,128.120115134,C8H16O,CC\C=C/CCCCO,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3-",VDHRTASWKDTLER,ARJAWSKDSA,N,(Z)-5-Octen-1-ol,VDHRTASWKDTLER-ARJAWSKDSA-N
HMDB31299,128.120115134,C8H16O,CCCCCC(O)C=C,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",VSMOENVRRABVKN,UHFFFAOYSA,N,(R)-1-Octen-3-ol,VSMOENVRRABVKN-UHFFFAOYSA-N
HMDB31300,128.120115134,C8H16O,CCCCC(O)\C=C\C,"InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+",WGDUEFYADBRNKG,GQCTYLIASA,N,(±)-(E)-2-Octen-4-ol,WGDUEFYADBRNKG-GQCTYLIASA-N
HMDB31301,126.10446507,C8H14O,CCCCC(=O)\C=C/C,"InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4-",FMDLEUPBHMCPQV,XQRVVYSFSA,N,2-Octen-4-one,FMDLEUPBHMCPQV-XQRVVYSFSA-N
HMDB31302,154.099379692,C9H14O2,CCCCCC#CC(=O)OC,"InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3",FRLZQXRXIKQFNS,UHFFFAOYSA,N,Methyl 2-octynoate,FRLZQXRXIKQFNS-UHFFFAOYSA-N
HMDB31303,128.047344122,C6H8O3,CC1OC(=O)C=CC1O,"InChI=1S/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-5,7H,1H3",TVDPVFPVOHCHQM,UHFFFAOYSA,N,Osmundalactone,TVDPVFPVOHCHQM-UHFFFAOYSA-N
HMDB31304,290.100167552,C12H18O8,CC1OC(=O)C=CC1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C12H18O8/c1-5-6(2-3-8(14)18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-7,9-13,15-17H,4H2,1H3",KZOPXYPPFZYEHT,UHFFFAOYSA,N,Osmundalin,KZOPXYPPFZYEHT-UHFFFAOYSA-N
HMDB31306,128.047344122,C6H8O3,CC1OC(=O)C(O)=C1C,"InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3",UNYNVICDCJHOPO,UHFFFAOYSA,N,"3-Hydroxy-4,5-dimethyl-2(5H)-furanone",UNYNVICDCJHOPO-UHFFFAOYSA-N
HMDB31307,158.094294314,C8H14O3,CCCC(=O)CC(=O)OCC,"InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3",KQWWVLVLVYYYDT,UHFFFAOYSA,N,Ethyl 3-oxohexanoate,KQWWVLVLVYYYDT-UHFFFAOYSA-N
HMDB31308,111.068413915,C6H9NO,CC(=O)C1=NCCC1,"InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3",DQBQWWSFRPLIAX,UHFFFAOYSA,N,"5-Acetyl-3,4-dihydro-2H-pyrrole",DQBQWWSFRPLIAX-UHFFFAOYSA-N
HMDB31309,126.10446507,C8H14O,CCCCCC(=O)C=C,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3",KLTVSWGXIAYTHO,UHFFFAOYSA,N,1-Octen-3-one,KLTVSWGXIAYTHO-UHFFFAOYSA-N
HMDB31310,150.068079564,C9H10O2,CC(=O)OCC1=CC=CC=C1,"InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3",QUKGYYKBILRGFE,UHFFFAOYSA,N,Benzyl acetate,QUKGYYKBILRGFE-UHFFFAOYSA-N
HMDB31311,164.120115134,C11H16O,CCCCOCC1=CC=CC=C1,"InChI=1S/C11H16O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",MAYUYFCAPVDYBQ,UHFFFAOYSA,N,Benzyl butyl ether,MAYUYFCAPVDYBQ-UHFFFAOYSA-N
HMDB31312,136.088815006,C9H12O,CCOCC1=CC=CC=C1,"InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",AXPZDYVDTMMLNB,UHFFFAOYSA,N,Benzyl ethyl ether,AXPZDYVDTMMLNB-UHFFFAOYSA-N
HMDB31313,202.135765198,C14H18O,CCCCC\C(C=O)=C/C1=CC=CC=C1,"InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11+",HMKKIXGYKWDQSV,SDNWHVSQSA,N,2-Pentyl-3-phenyl-2-propenal,HMKKIXGYKWDQSV-SDNWHVSQSA-N
HMDB31314,138.05032101,C8H10S,CSCC1=CC=CC=C1,"InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",OFQPKKGMNWASPN,UHFFFAOYSA,N,Benzyl methyl sulfide,OFQPKKGMNWASPN-UHFFFAOYSA-N
HMDB31315,306.167853186,C14H26O7,CCCCCC(=O)CCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C14H26O7/c1-2-3-4-5-9(16)6-7-20-14-13(19)12(18)11(17)10(8-15)21-14/h10-15,17-19H,2-8H2,1H3",LXYZKMJJLXYZTE,UHFFFAOYSA,N,1-(beta-D-Glucopyranosyloxy)-3-octanone,LXYZKMJJLXYZTE-UHFFFAOYSA-N
HMDB31316,118.045235632,C5H10OS,CSCCC(C)=O,"InChI=1S/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3",DRGHCRKOWMAZAO,UHFFFAOYSA,N,4-(Methylthio)-2-butanone,DRGHCRKOWMAZAO-UHFFFAOYSA-N
HMDB31317,108.006741636,C3H8S2,CSCSC,"InChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3",LOCDPORVFVOGCR,UHFFFAOYSA,N,Bis(methylthio)methane,LOCDPORVFVOGCR-UHFFFAOYSA-N
HMDB31318,312.302830524,C20H40O2,CC(C)CCCC(C)CCCC(C)CCCC(C)(C)C(O)=O,"InChI=1S/C20H40O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-20(5,6)19(21)22/h16-18H,7-15H2,1-6H3,(H,21,22)",FDHVMORBQIKTOA,UHFFFAOYSA,N,"2,2,6,10,14-Pentamethylpentadecanoic acid",FDHVMORBQIKTOA-UHFFFAOYSA-N
HMDB31319,326.318480588,C21H42O2,CC(C)CCCC(C)CCCC(C)CCCC(C)C(C)C(O)=O,"InChI=1S/C21H42O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(6)21(22)23/h16-20H,7-15H2,1-6H3,(H,22,23)",JQTZSEREVATIFK,UHFFFAOYSA,N,"2,3,7,11,15-Pentamethylhexadecanoic acid",JQTZSEREVATIFK-UHFFFAOYSA-N
HMDB31320,90.068079564,C4H10O2,CC(O)CCO,"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3",PUPZLCDOIYMWBV,UHFFFAOYSA,N,"1,3-Butanediol",PUPZLCDOIYMWBV-UHFFFAOYSA-N
HMDB31321,73.089149357,C4H11N,CCCCN,"InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3",HQABUPZFAYXKJW,UHFFFAOYSA,N,1-Butylamine,HQABUPZFAYXKJW-UHFFFAOYSA-N
HMDB31322,90.05032101,C4H10S,CCCCS,"InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3",WQAQPCDUOCURKW,UHFFFAOYSA,N,1-Butanethiol,WQAQPCDUOCURKW-UHFFFAOYSA-N
HMDB31323,67.042199165,C4H5N,C=CCC#N,"InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2",SJNALLRHIVGIBI,UHFFFAOYSA,N,3-Butenenitrile,SJNALLRHIVGIBI-UHFFFAOYSA-N
HMDB31324,72.057514878,C4H8O,OCCC=C,"InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2",ZSPTYLOMNJNZNG,UHFFFAOYSA,N,3-Buten-1-ol,ZSPTYLOMNJNZNG-UHFFFAOYSA-N
HMDB31325,116.083729628,C6H12O2,CCCCOC(C)=O,"InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3",DKPFZGUDAPQIHT,UHFFFAOYSA,N,n-Butyl acetate,DKPFZGUDAPQIHT-UHFFFAOYSA-N
HMDB31326,102.10446507,C6H14O,CCOC(C)CC,"InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3",VSCUCHUDCLERMY,UHFFFAOYSA,N,2-Ethoxybutane,VSCUCHUDCLERMY-UHFFFAOYSA-N
HMDB31327,118.099379692,C6H14O2,CCCCOCCO,"InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3",POAOYUHQDCAZBD,UHFFFAOYSA,N,2-Butoxyethanol,POAOYUHQDCAZBD-UHFFFAOYSA-N
HMDB31328,115.045569983,C5H9NS,CCCCN=C=S,"InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3",LIMQQADUEULBSO,UHFFFAOYSA,N,1-Isothiocyanatobutane,LIMQQADUEULBSO-UHFFFAOYSA-N
HMDB31329,103.063328537,C4H9NO2,CCCCON=O,"InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3",JQJPBYFTQAANLE,UHFFFAOYSA,N,Butyl nitrite,JQJPBYFTQAANLE-UHFFFAOYSA-N
HMDB31330,151.875410828,CCl4,ClC(Cl)(Cl)Cl,"InChI=1S/CCl4/c2-1(3,4)5",VZGDMQKNWNREIO,UHFFFAOYSA,N,Carbon tetrachloride,VZGDMQKNWNREIO-UHFFFAOYSA-N
HMDB31331,93.982157047,C2H3ClO2,OC(=O)CCl,"InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)",FOCAUTSVDIKZOP,UHFFFAOYSA,N,Chloroacetic acid,FOCAUTSVDIKZOP-UHFFFAOYSA-N
HMDB31332,80.002892489,C2H5ClO,COCCl,"InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3",XJUZRXYOEPSWMB,UHFFFAOYSA,N,Chloromethyl methyl ether,XJUZRXYOEPSWMB-UHFFFAOYSA-N
HMDB31333,153.960868732,C2ClF5,FC(F)(F)C(F)(F)Cl,"InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8",RFCAUADVODFSLZ,UHFFFAOYSA,N,Chloropentafluoroethane,RFCAUADVODFSLZ-UHFFFAOYSA-N
HMDB31334,110.013457175,C3H7ClO2,OCC(O)CCl,"InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2",SSZWWUDQMAHNAQ,UHFFFAOYSA,N,Glycerol alpha-monochlorohydrin,SSZWWUDQMAHNAQ-UHFFFAOYSA-N
HMDB31335,94.018542553,C3H7ClO,CC(Cl)CO,"InChI=1S/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3",VZIQXGLTRZLBEX,UHFFFAOYSA,N,2-Chloro-1-propanol,VZIQXGLTRZLBEX-UHFFFAOYSA-N
HMDB31336,250.229665582,C17H30O,O=C1CCCCCCC\C=C\CCCCCCC1,"InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1+",ZKVZSBSZTMPBQR,OWOJBTEDSA,N,(Z)-9-Cycloheptadecen-1-one,ZKVZSBSZTMPBQR-OWOJBTEDSA-N
HMDB31337,127.045569983,C6H9NS,N#CCCCC1CS1,"InChI=1S/C6H9NS/c7-4-2-1-3-6-5-8-6/h6H,1-3,5H2",GWYOVZVXBRVBBE,UHFFFAOYSA,N,Thiiranebutanenitrile,GWYOVZVXBRVBBE-UHFFFAOYSA-N
HMDB31338,138.042927446,C6H6N2O2,O=C1ON(CCC#N)C=C1,"InChI=1S/C6H6N2O2/c7-3-1-4-8-5-2-6(9)10-8/h2,5H,1,4H2",DNSSEQBYSHSUGR,UHFFFAOYSA,N,5-Oxo-2(5H)-isoxazolepropanenitrile,DNSSEQBYSHSUGR-UHFFFAOYSA-N
HMDB31339,97.052763851,C5H7NO,OC(CC#N)C=C,"InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h2,5,7H,1,3H2",PBCLOVRWBLGJQA,UHFFFAOYSA,N,1-Cyano-2-hydroxy-3-butene,PBCLOVRWBLGJQA-UHFFFAOYSA-N
HMDB31340,179.061613977,C6H13NO3S,OS(=O)(=O)NC1CCCCC1,"InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)",HCAJEUSONLESMK,UHFFFAOYSA,N,Cyclamic acid,HCAJEUSONLESMK-UHFFFAOYSA-N
HMDB31341,182.167065326,C12H22O,O=C1CCCCCCCCCCC1,InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2,SXVPOSFURRDKBO,UHFFFAOYSA,N,Cyclododecanone,SXVPOSFURRDKBO-UHFFFAOYSA-N
HMDB31342,128.083729628,C7H12O2,OC(=O)C1CCCCC1,"InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)",NZNMSOFKMUBTKW,UHFFFAOYSA,N,Cyclohexanecarboxylic acid,NZNMSOFKMUBTKW-UHFFFAOYSA-N
HMDB31343,142.099379692,C8H14O2,COC(=O)C1CCCCC1,"InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3",ZQWPRMPSCMSAJU,UHFFFAOYSA,N,Methyl cyclohexanecarboxylate,ZQWPRMPSCMSAJU-UHFFFAOYSA-N
HMDB31344,112.0524295,C6H8O2,O=C1CCCCC1=O,InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2,OILAIQUEIWYQPH,UHFFFAOYSA,N,"1,2-Cyclohexanedione",OILAIQUEIWYQPH-UHFFFAOYSA-N
HMDB31345,159.089543287,C7H13NO3,OC1CC2CCC(O)C1(O)N2,"InChI=1S/C7H13NO3/c9-5-2-1-4-3-6(10)7(5,11)8-4/h4-6,8-11H,1-3H2",YOBNKFROEGVQPW,UHFFFAOYSA,N,Calystegine A6,YOBNKFROEGVQPW-UHFFFAOYSA-N
HMDB31346,191.079372531,C7H13NO5,OC1CC2(O)NC1C(O)C(O)C2O,"InChI=1S/C7H13NO5/c9-2-1-7(13)6(12)5(11)4(10)3(2)8-7/h2-6,8-13H,1H2",GGOJRYWHKVYFQK,UHFFFAOYSA,N,Calystegine C1,GGOJRYWHKVYFQK-UHFFFAOYSA-N
HMDB31347,434.121296924,C21H22O10,OCC1OC(OC2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C21H22O10/c22-10-16-18(27)19(28)20(21(30-16)29-13-5-3-12(23)4-6-13)31-17(26)8-2-11-1-7-14(24)15(25)9-11/h1-9,16,18-25,27-28H,10H2/b8-2+",SAHZOJQMDIDFST,KRXBUXKQSA,N,2-O-Caffeoylarbutin,SAHZOJQMDIDFST-KRXBUXKQSA-N
HMDB31348,236.177630012,C15H24O2,CC(C)C1C(=O)CC(C)C11CCC(C)C(=O)C1,"InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3",AGUISGUERLMHFF,UHFFFAOYSA,N,Epiacorone,AGUISGUERLMHFF-UHFFFAOYSA-N
HMDB31349,234.161979948,C15H22O2,CC(C)C1C(=O)CC(C)C11CC=C(C)C(=O)C1,"InChI=1S/C15H22O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11,14H,6-8H2,1-4H3",SXHQJMKFQDMBIW,UHFFFAOYSA,N,Epiacoronene,SXHQJMKFQDMBIW-UHFFFAOYSA-N
HMDB31350,418.147511674,C18H26O11,COC(=O)CC1\C(=C\C)C(OC2OC(CO)C(O)C(O)C2O)OC=C1C(=O)OC,"InChI=1S/C18H26O11/c1-4-8-9(5-12(20)25-2)10(16(24)26-3)7-27-17(8)29-18-15(23)14(22)13(21)11(6-19)28-18/h4,7,9,11,13-15,17-19,21-23H,5-6H2,1-3H3/b8-4-",KYVUMEGNMQDSHO,YWEYNIOJSA,N,Oleoside dimethyl ester,KYVUMEGNMQDSHO-YWEYNIOJSA-N
HMDB31351,128.083729628,C7H12O2,O=COC1CCCCC1,"InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2",VUXKVKAHWOVIDN,UHFFFAOYSA,N,Cyclohexyl formate,VUXKVKAHWOVIDN-UHFFFAOYSA-N
HMDB31352,142.099379692,C8H14O2,CC(=O)OC1CCCCC1,"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",YYLLIJHXUHJATK,UHFFFAOYSA,N,Cyclohexyl acetate,YYLLIJHXUHJATK-UHFFFAOYSA-N
HMDB31353,958.477344808,C47H74O20,CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(C(O)C(O)C6O)C(O)=O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C1O,"InChI=1S/C47H74O20/c1-42(2)16-20-19-8-9-23-44(4)12-11-24(63-41-34(29(54)28(53)33(65-41)38(60)61)66-40-31(56)26(51)27(52)32(64-40)37(58)59)45(5,18-48)22(44)10-13-47(23,7)46(19,6)15-14-43(20,3)36(35(42)57)67-39-30(55)25(50)21(49)17-62-39/h8,20-36,39-41,48-57H,9-18H2,1-7H3,(H,58,59)(H,60,61)",RPEKPENNMFTVPA,UHFFFAOYSA,N,Kudzusaponin SA4,RPEKPENNMFTVPA-UHFFFAOYSA-N
HMDB31354,1242.588077046,C57H94O29,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C57H94O29/c1-20-7-10-57(75-19-20)21(2)34-28(86-57)12-25-23-6-5-22-11-27(26(63)13-56(22,4)24(23)8-9-55(25,34)3)76-53-45(74)47(37(66)31(16-60)79-53)83-52-44(73)41(70)46(33(18-62)81-52)82-54-49(85-51-43(72)40(69)36(65)30(15-59)78-51)48(38(67)32(17-61)80-54)84-50-42(71)39(68)35(64)29(14-58)77-50/h20-54,58-74H,5-19H2,1-4H3",RZWGPDBWOSUYCQ,UHFFFAOYSA,N,Capsicosin,RZWGPDBWOSUYCQ-UHFFFAOYSA-N
HMDB31355,502.256668192,C28H38O8,CC1=C(CO)CC(OC1=O)C(C)(O)C1(O)CCC2(O)C3CC4OC44CC=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H38O8/c1-15-16(14-29)12-20(35-22(15)31)25(4,32)28(34)11-10-26(33)18-13-21-27(36-21)8-5-6-19(30)24(27,3)17(18)7-9-23(26,28)2/h5-6,17-18,20-21,29,32-34H,7-14H2,1-4H3",SGTFNLMVIRZWTA,UHFFFAOYSA,N,28-Hydroxywithanolide E,SGTFNLMVIRZWTA-UHFFFAOYSA-N
HMDB31356,1176.592768494,C57H92O25,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O,"InChI=1S/C57H92O25/c1-23-43(79-47-42(71)44(28(61)22-74-47)80-46-39(68)34(63)26(59)20-73-46)38(67)41(70)48(76-23)81-45-35(64)27(60)21-75-50(45)82-51(72)57-16-15-52(2,3)17-25(57)24-9-10-31-54(6)13-12-33(78-49-40(69)37(66)36(65)29(19-58)77-49)53(4,5)30(54)11-14-55(31,7)56(24,8)18-32(57)62/h9,23,25-50,58-71H,10-22H2,1-8H3",ZXFNMDBLCLWZIE,UHFFFAOYSA,N,Asterlingulatoside D,ZXFNMDBLCLWZIE-UHFFFAOYSA-N
HMDB31357,766.450342198,C41H66O13,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C41H66O13/c1-36(2)14-15-41(35(49)50)21(16-36)20-8-9-25-38(5)12-11-27(37(3,4)24(38)10-13-39(25,6)40(20,7)17-26(41)43)54-34-32(48)30(46)29(45)23(53-34)19-52-33-31(47)28(44)22(42)18-51-33/h8,21-34,42-48H,9-19H2,1-7H3,(H,49,50)",YOFVOAYCIARLQE,UHFFFAOYSA,N,Pitheduloside A,YOFVOAYCIARLQE-UHFFFAOYSA-N
HMDB31358,898.492600942,C46H74O17,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C46H74O17/c1-41(2)14-15-46(40(56)57)22(16-41)21-8-9-27-43(5)12-11-29(42(3,4)26(43)10-13-44(27,6)45(21,7)17-28(46)49)62-38-35(55)33(53)32(52)25(61-38)20-60-39-36(31(51)24(48)19-59-39)63-37-34(54)30(50)23(47)18-58-37/h8,22-39,47-55H,9-20H2,1-7H3,(H,56,57)",WGFGSGMOAHUFDZ,UHFFFAOYSA,N,Pitheduloside D,WGFGSGMOAHUFDZ-UHFFFAOYSA-N
HMDB31359,166.135765198,C11H18O,CCCCCC\C=C\C=C\C=O,"InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-11H,2-6H2,1H3/b8-7+,10-9+",UVIUIIFPIWRILL,XBLVEGMJSA,N,"2,4-Undecadienal",UVIUIIFPIWRILL-XBLVEGMJSA-N
HMDB31360,262.095356946,C13H14N2O4,OC(=O)CC1NC(=O)C(CC2=CC=CC=C2)NC1=O,"InChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)",VNHJXYUDIBQDDX,UHFFFAOYSA,N,L-cis-Cyclo(aspartylphenylalanyl),VNHJXYUDIBQDDX-UHFFFAOYSA-N
HMDB31361,410.20932407,C25H30O5,CC(C)=CCC1=CC(C(=O)C(O)CC2=CC(CC=C(C)C)=C(O)C=C2)=C(O)C=C1O,"InChI=1S/C25H30O5/c1-15(2)5-8-18-11-17(7-10-21(18)26)12-24(29)25(30)20-13-19(9-6-16(3)4)22(27)14-23(20)28/h5-7,10-11,13-14,24,26-29H,8-9,12H2,1-4H3",DKIYWPRXYDNQFG,UHFFFAOYSA,N,(R)-Kanzonol Y,DKIYWPRXYDNQFG-UHFFFAOYSA-N
HMDB31362,170.13067982,C10H18O2,CC(=O)OCCC1CCCCC1,"InChI=1S/C10H18O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3",NOTFZGFABLVTIG,UHFFFAOYSA,N,Cyclohexylethyl acetate,NOTFZGFABLVTIG-UHFFFAOYSA-N
HMDB31363,956.49808025,C48H76O19,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H76O19/c1-43(2)13-15-48(42(61)67-40-37(60)34(57)31(54)25(19-50)63-40)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-52)27(44)9-12-47(28,46)6)65-41-38(35(58)32(55)26(20-51)64-41)66-39-36(59)33(56)30(53)24(18-49)62-39/h7,21,23-41,49-51,53-60H,8-20H2,1-6H3",LWMKKJBQNOLSBE,UHFFFAOYSA,N,Lucyoside L,LWMKKJBQNOLSBE-UHFFFAOYSA-N
HMDB31364,934.477344808,C45H74O20,CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C45H74O20/c1-17-5-8-45(58-16-17)18(2)30-26(65-45)10-21-19-9-23(49)22-11-25(24(50)12-44(22,4)20(19)6-7-43(21,30)3)59-40-36(56)34(54)38(29(15-48)62-40)63-42-37(57)39(32(52)28(14-47)61-42)64-41-35(55)33(53)31(51)27(13-46)60-41/h17-42,46-57H,5-16H2,1-4H3",OBNCZXYHSIJOME,UHFFFAOYSA,N,Ampeloside Bs1,OBNCZXYHSIJOME-UHFFFAOYSA-N
HMDB31365,346.141638436,C19H22O6,CC12C3OC3C(O)C3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H22O6/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(21)22)17(2,16(23)25-19)14-11(24-14)13(19)20/h8-14,20H,1,3-6H2,2H3,(H,21,22)",GKOVHAGMHIIKFS,UHFFFAOYSA,N,Gibberellin A94,GKOVHAGMHIIKFS-UHFFFAOYSA-N
HMDB31366,362.136553058,C19H22O7,CC12C3OC3C(O)C3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H22O7/c1-7-5-17-6-18(7,24)4-3-8(17)19-11(9(17)14(21)22)16(2,15(23)26-19)13-10(25-13)12(19)20/h8-13,20,24H,1,3-6H2,2H3,(H,21,22)",GHWOQFZWXKNOMS,UHFFFAOYSA,N,Gibberellin A93,GHWOQFZWXKNOMS-UHFFFAOYSA-N
HMDB31367,464.225761994,C21H36O11,CC1(C)OC(C)(CCC1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)C=C,"InChI=1S/C21H36O11/c1-5-20(4)7-6-12(19(2,3)32-20)31-17-15(25)14(24)13(23)11(30-17)8-28-18-16(26)21(27,9-22)10-29-18/h5,11-18,22-27H,1,6-10H2,2-4H3",AINNVCLTLJOODL,UHFFFAOYSA,N,Linalool oxide D 3-[apiosyl-(1->6)-glucoside],AINNVCLTLJOODL-UHFFFAOYSA-N
HMDB31368,418.199153314,C23H30O7,CC1=CC(O)=CC(O)=C1C(=O)OCC1=CC2CC(C)(C)C(O)C2C2(C)CC(O)C12O,"InChI=1S/C23H30O7/c1-11-5-14(24)7-15(25)17(11)20(28)30-10-13-6-12-8-21(2,3)19(27)18(12)22(4)9-16(26)23(13,22)29/h5-7,12,16,18-19,24-27,29H,8-10H2,1-4H3",OEBGQVIRXPDBGY,UHFFFAOYSA,N,"(1a,5b,6a)-7-Protoilludene-1,5,6,14-tetrol 14-(2,4-dihydroxy-6-methylbenzoic acid)",OEBGQVIRXPDBGY-UHFFFAOYSA-N
HMDB31369,622.480854466,C37H66O7,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3",MBABCNBNDNGODA,UHFFFAOYSA,N,Trilobacin,MBABCNBNDNGODA-UHFFFAOYSA-N
HMDB31370,130.045235632,C6H10OS,CSC\C(=C\C)C=O,"InChI=1S/C6H10OS/c1-3-6(4-7)5-8-2/h3-4H,5H2,1-2H3/b6-3+",IBSLHWQWKUNIJE,ZZXKWVIFSA,N,2-[(Methylthio)methyl]-2-butenal,IBSLHWQWKUNIJE-ZZXKWVIFSA-N
HMDB31371,1092.608024628,C54H92O22,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C54H92O22/c1-24(2)10-9-16-54(8,76-48-44(68)40(64)37(61)30(73-48)23-69-46-42(66)38(62)34(58)27(20-55)70-46)26-13-18-52(6)25(26)11-12-32-51(5)17-15-33(50(3,4)31(51)14-19-53(32,52)7)74-49-45(41(65)36(60)29(22-57)72-49)75-47-43(67)39(63)35(59)28(21-56)71-47/h10,25-49,55-68H,9,11-23H2,1-8H3",LGUXGTQKNVOCIU,UHFFFAOYSA,N,Notoginsenoside I,LGUXGTQKNVOCIU-UHFFFAOYSA-N
HMDB31372,1178.572033052,C56H90O26,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OCC(O)C(O)C2OC2OC(C)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C56H90O26/c1-21-8-13-56(72-19-21)22(2)34-30(82-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)74-52-47(35(61)29(60)20-71-52)80-49-44(70)41(67)45(23(3)73-49)78-53-48(81-51-43(69)40(66)37(63)32(17-58)76-51)46(38(64)33(18-59)77-53)79-50-42(68)39(65)36(62)31(16-57)75-50/h6,21-23,25-53,57-70H,7-20H2,1-5H3",ZMXQNYSKYBAHKJ,UHFFFAOYSA,N,Ceposide D,ZMXQNYSKYBAHKJ-UHFFFAOYSA-N
HMDB31373,318.18310932,C19H26O4,CC(C)C(=O)OC1CC2C(OC(=O)C2=C)\C=C(C)\CC\C=C1/C,"InChI=1S/C19H26O4/c1-11(2)18(20)22-16-10-15-14(5)19(21)23-17(15)9-12(3)7-6-8-13(16)4/h8-9,11,15-17H,5-7,10H2,1-4H3/b12-9+,13-8+",XXAILDIUKGAZIM,GHEQENTPSA,N,"(1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide",XXAILDIUKGAZIM-GHEQENTPSA-N
HMDB31374,332.198759384,C20H28O4,CCC(C)C(=O)OC1CC2C(OC(=O)C2=C)\C=C(C)\CC\C=C1/C,"InChI=1S/C20H28O4/c1-6-13(3)19(21)23-17-11-16-15(5)20(22)24-18(16)10-12(2)8-7-9-14(17)4/h9-10,13,16-18H,5-8,11H2,1-4H3/b12-10+,14-9+",HNBSPEQFYAYDLE,LSBMZBKTSA,N,"(1(10)E,4E,6a,9b)-9-(2-Methylbutanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide",HNBSPEQFYAYDLE-LSBMZBKTSA-N
HMDB31375,332.198759384,C20H28O4,CC(C)CC(=O)OC1CC2C(OC(=O)C2=C)\C=C(C)\CC\C=C1/C,"InChI=1S/C20H28O4/c1-12(2)9-19(21)23-17-11-16-15(5)20(22)24-18(16)10-13(3)7-6-8-14(17)4/h8,10,12,16-18H,5-7,9,11H2,1-4H3/b13-10+,14-8+",YDKFFCLOGJQHFQ,KGZUQBBUSA,N,"(1(10)E,4E,6a,9b)-9-(3-Methylbutanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide",YDKFFCLOGJQHFQ-KGZUQBBUSA-N
HMDB31376,958.513730314,C48H78O19,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C48H78O19/c1-43(2)13-15-48(42(60)61)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-52)27(44)9-12-47(28,46)6)65-41-38(67-40-36(59)34(57)31(54)25(19-50)63-40)37(32(55)26(20-51)64-41)66-39-35(58)33(56)30(53)24(18-49)62-39/h7,23-41,49-59H,8-21H2,1-6H3,(H,60,61)",IIJRVKCBZJDXQK,UHFFFAOYSA,N,Congmuyenoside A,IIJRVKCBZJDXQK-UHFFFAOYSA-N
HMDB31377,1120.566553744,C54H88O24,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C54H88O24/c1-49(2)13-15-54(48(69)70)16-14-52(5)23(24(54)17-49)7-8-30-50(3)11-10-31(51(4,22-59)29(50)9-12-53(30,52)6)75-47-43(78-45-39(67)37(65)33(61)26(19-56)72-45)42(35(63)28(21-58)74-47)77-46-40(68)41(34(62)27(20-57)73-46)76-44-38(66)36(64)32(60)25(18-55)71-44/h7,24-47,55-68H,8-22H2,1-6H3,(H,69,70)",MHWNGPOVHRXJTF,UHFFFAOYSA,N,Congmuyenoside B,MHWNGPOVHRXJTF-UHFFFAOYSA-N
HMDB31378,248.141244506,C15H20O3,CC1=CC2OC(=O)C(=C)C2CC2C1CCC2(C)O,"InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h6,10-13,17H,2,4-5,7H2,1,3H3",APMKESKZWHNIDJ,UHFFFAOYSA,N,4-Epiisoinuviscolide,APMKESKZWHNIDJ-UHFFFAOYSA-N
HMDB31379,308.23514489,C19H32O3,CC1(O)CCCC2(C)C3CCC4CC3(CC4(O)CO)CCC12,"InChI=1S/C19H32O3/c1-16-7-3-8-17(2,21)14(16)6-9-18-10-13(4-5-15(16)18)19(22,11-18)12-20/h13-15,20-22H,3-12H2,1-2H3",NICDFCNOCPZHTJ,UHFFFAOYSA,N,Annosquamosin B,NICDFCNOCPZHTJ-UHFFFAOYSA-N
HMDB31380,384.193674006,C23H28O5,CC(C)C12C(C(C)=CC1=O)C1=C(C2=O)C23CCCC(C)(C)C2C(OC3=O)C1O,"InChI=1S/C23H28O5/c1-10(2)23-12(24)9-11(3)14(23)13-15(19(23)26)22-8-6-7-21(4,5)18(22)17(16(13)25)28-20(22)27/h9-10,14,16-18,25H,6-8H2,1-5H3",IEPYKUBVROCHOQ,UHFFFAOYSA,N,"(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide",IEPYKUBVROCHOQ-UHFFFAOYSA-N
HMDB31381,472.334130652,C33H44O2,COC(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C,"InChI=1S/C33H44O2/c1-27(2)15-11-18-30(5)21-13-23-31(6)22-12-19-28(3)16-9-10-17-29(4)20-14-24-32(7)25-26-33(34)35-8/h9-10,12-17,19-26H,11,18H2,1-8H3/b10-9+,19-12+,20-14+,23-13+,26-25+,28-16+,29-17+,30-21+,31-22+,32-24+",SLFLEAITCHGGJK,VCZKBJCCSA,N,"Methyl (7Z,9Z,9'Z)-6'-apo-y-caroten-6'-oate",SLFLEAITCHGGJK-VCZKBJCCSA-N
HMDB31382,330.167853186,C16H26O7,CC(=C)C(=O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C16H26O7/c1-5-16(4,7-6-10(18)9(2)3)23-15-14(21)13(20)12(19)11(8-17)22-15/h5,11-15,17,19-21H,1-2,6-8H2,3-4H3",NERFSSPHKJBXKV,UHFFFAOYSA,N,Portuloside A,NERFSSPHKJBXKV-UHFFFAOYSA-N
HMDB31383,238.193280076,C15H26O2,CC(CCC=C(C)C)C1CC(O)C(C)(O)C=C1,"InChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h6,8-9,12-14,16-17H,5,7,10H2,1-4H3",YRFJMOGROZTYPC,UHFFFAOYSA,N,"(3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol",YRFJMOGROZTYPC-UHFFFAOYSA-N
HMDB31384,238.193280076,C15H26O2,CC(C)C12CCC(C)(O1)C1C(O)CC(C)C1C2,"InChI=1S/C15H26O2/c1-9(2)15-6-5-14(4,17-15)13-11(8-15)10(3)7-12(13)16/h9-13,16H,5-8H2,1-4H3",VWQSEENZNJRXDR,UHFFFAOYSA,N,beta-Kessyl alcohol,VWQSEENZNJRXDR-UHFFFAOYSA-N
HMDB31385,312.099773622,C18H16O5,CC1OC2=C3C(=O)C4=C(OC3=C(O)C=C2C1(C)C)C(O)=CC=C4,"InChI=1S/C18H16O5/c1-8-18(2,3)10-7-12(20)17-13(16(10)22-8)14(21)9-5-4-6-11(19)15(9)23-17/h4-8,19-20H,1-3H3",WJPITGSTUAHZBK,UHFFFAOYSA,N,(±)-Dulciol E,WJPITGSTUAHZBK-UHFFFAOYSA-N
HMDB31386,248.141244506,C15H20O3,C\C1=C\CCC2(C)OC2CC2C(C1)OC(=O)C2=C,"InChI=1S/C15H20O3/c1-9-5-4-6-15(3)13(18-15)8-11-10(2)14(16)17-12(11)7-9/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-",RYQABBMOWVCVPW,UITAMQMPSA,N,"(1(10)E,4beta,5alpha,8beta)-4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide",RYQABBMOWVCVPW-UITAMQMPSA-N
HMDB31387,248.141244506,C15H20O3,C\C1=C\CC2C(CC3(C)OC3CC1)OC(=O)C2=C,"InChI=1S/C15H20O3/c1-9-4-6-11-10(2)14(16)17-12(11)8-15(3)13(18-15)7-5-9/h4,11-13H,2,5-8H2,1,3H3/b9-4-",ACDBVOJKXAGTJM,WTKPLQERSA,N,"(1beta,4E,8beta,10alpha)-1,10-Epoxy-4,11(13)-germacradien-12,8-olide",ACDBVOJKXAGTJM-WTKPLQERSA-N
HMDB31388,554.228260553,C28H39ClO9,CC1=C(C)C(=O)OC(C1O)C(C)(O)C1(O)CCC2(O)C3CC(Cl)C4(O)C(O)C=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H39ClO9/c1-13-14(2)22(33)38-21(20(13)32)25(5,34)27(36)11-10-26(35)16-12-17(29)28(37)19(31)7-6-18(30)24(28,4)15(16)8-9-23(26,27)3/h6-7,15-17,19-21,31-32,34-37H,8-12H2,1-5H3",KWITZWMDVMDLJL,UHFFFAOYSA,N,23-Hydroxyphysalolactone,KWITZWMDVMDLJL-UHFFFAOYSA-N
HMDB31389,612.460119024,C35H64O8,[H][C@]1(CC[C@@H](C[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1)[C@@H](O)CC[C@@H](O)[C@H](O)CCCCCCCCCCCC,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31+,32+,33-,34-/m0/s1",ZPRYGZNEAVBQEP,DWFITEHMSA,N,Annopentocin A,ZPRYGZNEAVBQEP-DWFITEHMSA-N
HMDB31390,564.475375158,C35H64O5,CCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H64O5/c1-3-4-5-6-7-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-11-9-8-10-12-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3",YWTXVAUUCWGHSO,UHFFFAOYSA,N,Annotemoyin 1,YWTXVAUUCWGHSO-UHFFFAOYSA-N
HMDB31391,638.475769088,C37H66O8,CCCCCCCCCCC1OC(CCC1O)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-34-33(41)22-24-36(45-34)32(40)21-20-31(39)35-23-19-30(44-35)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3",PIKSSLVYUFERQJ,UHFFFAOYSA,N,Mucocin,PIKSSLVYUFERQJ-UHFFFAOYSA-N
HMDB31392,622.480854466,C37H66O7,CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCCCCCC2=CC(C)OC2=O)O1,"InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(38)35-25-26-36(44-35)33(40)23-22-32(39)34-24-21-30(43-34)19-16-13-10-8-9-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3",VZEPVAAWZDUQLP,UHFFFAOYSA,N,Squamostatin E,VZEPVAAWZDUQLP-UHFFFAOYSA-N
HMDB31393,594.449554338,C35H62O7,CCCCCCC(O)CCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O7/c1-3-4-5-13-17-28(36)18-15-20-30(38)32-22-24-34(42-32)33-23-21-31(41-33)29(37)19-14-11-9-7-6-8-10-12-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3",XJTBKNFACRAPEK,UHFFFAOYSA,N,Squamocin B,XJTBKNFACRAPEK-UHFFFAOYSA-N
HMDB31394,610.44446896,C35H62O8,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCC(O)CCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-10-17-29(38)31-19-21-33(42-31)34-22-20-32(43-34)30(39)18-12-11-14-27(36)15-13-16-28(37)24-26-23-25(2)41-35(26)40/h23,25,27-34,36-39H,3-22,24H2,1-2H3",ZZFFUICBXFIPAB,UHFFFAOYSA,N,Annonisin,ZZFFUICBXFIPAB-UHFFFAOYSA-N
HMDB31395,596.465204402,C35H64O7,CCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-13-11-12-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3",YPSCFXUHUJPNHJ,UHFFFAOYSA,N,Muricatetrocin C,YPSCFXUHUJPNHJ-UHFFFAOYSA-N
HMDB31396,532.485545914,C35H64O3,CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H64O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-34(36)30-27-24-21-18-15-14-16-19-22-25-28-33-31-32(2)38-35(33)37/h31-32H,3-30H2,1-2H3",FGTIZDFKHUXJQK,UHFFFAOYSA,N,Reticulatamone,FGTIZDFKHUXJQK-UHFFFAOYSA-N
HMDB31397,622.480854466,C37H66O7,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-16-20-30(38)19-14-11-9-10-13-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3",ZKPIIYAYSXXUDC,UHFFFAOYSA,N,Bullatin,ZKPIIYAYSXXUDC-UHFFFAOYSA-N
HMDB31398,594.449554338,C35H62O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(=O)CCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3",QCICHLFBIUXRKT,UHFFFAOYSA,N,Mosin C,QCICHLFBIUXRKT-UHFFFAOYSA-N
HMDB31399,612.460119024,C35H64O8,[H][C@]1(CC[C@@H](C[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1)[C@@H](O)CCC(O)C(O)CCCCCCCCCCCC,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31?,32?,33-,34-/m0/s1",ZPRYGZNEAVBQEP,PJDABLFQSA,N,Annopentocin C,ZPRYGZNEAVBQEP-PJDABLFQSA-N
HMDB31400,612.460119024,C35H64O8,[H][C@]1(CC[C@@H](C[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1)[C@@H](O)CC[C@H](O)[C@@H](O)CCCCCCCCCCCC,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31-,32-,33-,34-/m0/s1",ZPRYGZNEAVBQEP,VZFMJEBSSA,N,Annopentocin B,ZPRYGZNEAVBQEP-VZFMJEBSSA-N
HMDB31401,387.131802031,C20H21NO7,COC1=C2N(C)C3=C(C(O)=CC4=C3C(O)C(O)C(C)(C)O4)C(=O)C2=CC=C1O,"InChI=1S/C20H21NO7/c1-20(2)19(26)17(25)13-11(28-20)7-10(23)12-15(13)21(3)14-8(16(12)24)5-6-9(22)18(14)27-4/h5-7,17,19,22-23,25-26H,1-4H3",ZDUPGHPJVKHTEK,UHFFFAOYSA,N,Dihydroxycitracridone I,ZDUPGHPJVKHTEK-UHFFFAOYSA-N
HMDB31402,473.350508997,C29H47NO4,CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC11NCC(C)CC1OC(C)=O,"InChI=1S/C29H47NO4/c1-16-12-25(33-18(3)31)29(30-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(32)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-26,30,32H,6-15H2,1-5H3",HQJSCXYJQVACQR,UHFFFAOYSA,N,23-Acetoxysoladulcidine,HQJSCXYJQVACQR-UHFFFAOYSA-N
HMDB31403,142.099379692,C8H14O2,OC(=O)CC1CCCCC1,"InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)",LJOODBDWMQKMFB,UHFFFAOYSA,N,Cyclohexaneacetic acid,LJOODBDWMQKMFB-UHFFFAOYSA-N
HMDB31404,99.104799421,C6H13N,NC1CCCCC1,"InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2",PAFZNILMFXTMIY,UHFFFAOYSA,N,Cyclohexylamine,PAFZNILMFXTMIY-UHFFFAOYSA-N
HMDB31405,114.10446507,C7H14O,CC\C=C/CCCO,"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3/b4-3-",CUKAXHVLXKIPKF,ARJAWSKDSA,N,(Z)-4-Hepten-1-ol,CUKAXHVLXKIPKF-ARJAWSKDSA-N
HMDB31406,184.146329884,C11H20O2,CCOC(=O)CCC1CCCCC1,"InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3",NRVPMFHPHGBQLP,UHFFFAOYSA,N,Ethyl 3-cyclohexylpropionate,NRVPMFHPHGBQLP-UHFFFAOYSA-N
HMDB31407,84.057514878,C5H8O,O=C1CCCC1,InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,BGTOWKSIORTVQH,UHFFFAOYSA,N,Cyclopentanone,BGTOWKSIORTVQH-UHFFFAOYSA-N
HMDB31408,158.167065326,C10H22O,CCCCCCCC(O)CC,"InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3",ICEQLCZWZXUUIJ,UHFFFAOYSA,N,(±)-3-Decanol,ICEQLCZWZXUUIJ-UHFFFAOYSA-N
HMDB31409,156.151415262,C10H20O,CCCCCCCCC(C)=O,"InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3",ZAJNGDIORYACQU,UHFFFAOYSA,N,2-Decanone,ZAJNGDIORYACQU-UHFFFAOYSA-N
HMDB31410,154.135765198,C10H18O,CCCCCC\C=C/C(C)=O,"InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8-",JRPDANVNRUIUAB,HJWRWDBZSA,N,3-Decen-2-one,JRPDANVNRUIUAB-HJWRWDBZSA-N
HMDB31411,160.08479226,C6H12N2O3,CC(=O)NCC[C@H](N)C(O)=O,"InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1",YLZRFVZUZIJABA,YFKPBYRVSA,N,4-Acetamido-2-aminobutanoic acid,YLZRFVZUZIJABA-YFKPBYRVSA-N
HMDB31412,190.095356946,C7H14N2O4,CC(O)C(=O)NCC[C@H](N)C(O)=O,"InChI=1S/C7H14N2O4/c1-4(10)6(11)9-3-2-5(8)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4?,5-/m0/s1",BKHCIFAZUHUBPL,AKGZTFGVSA,N,2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid,BKHCIFAZUHUBPL-AKGZTFGVSA-N
HMDB31413,103.110947431,C4H13N3,NCCNCCN,"InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2",RPNUMPOLZDHAAY,UHFFFAOYSA,N,Diethylenetriamine,RPNUMPOLZDHAAY-UHFFFAOYSA-N
HMDB31414,124.088815006,C8H12O,CC1=C(C)C(=O)CCC1,"InChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h3-5H2,1-2H3",FRJKTQQNQDTORT,UHFFFAOYSA,N,"2,3-Dimethyl-2-cyclohexen-1-one",FRJKTQQNQDTORT-UHFFFAOYSA-N
HMDB31415,124.125200512,C9H16,CC(C)\C=C/C=C(C)C,"InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h5-8H,1-4H3/b6-5-",HQTKNGJJNNTBLG,WAYWQWQTSA,N,"2,6-Dimethyl-2,4-heptadiene",HQTKNGJJNNTBLG-WAYWQWQTSA-N
HMDB31416,128.15650064,C9H20,CCCC(C)C(C)CC,"InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3",MAKRYGRRIKSDES,UHFFFAOYSA,N,"3,4-Dimethylheptane",MAKRYGRRIKSDES-UHFFFAOYSA-N
HMDB31417,142.135765198,C9H18O,CC(C)CC(=O)CC(C)C,"InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3",PTTPXKJBFFKCEK,UHFFFAOYSA,N,"2,6-Dimethyl-4-heptanone",PTTPXKJBFFKCEK-UHFFFAOYSA-N
HMDB31418,114.140850576,C8H18,CCCC(C)(C)CC,"InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3",KUMXLFIBWFCMOJ,UHFFFAOYSA,N,"3,3-Dimethylhexane",KUMXLFIBWFCMOJ-UHFFFAOYSA-N
HMDB31419,74.048012824,C2H6N2O,CN(C)N=O,InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3,UMFJAHHVKNCGLG,UHFFFAOYSA,N,N-Nitrosodimethylamine,UMFJAHHVKNCGLG-UHFFFAOYSA-N
HMDB31420,286.084123558,C16H14O5,COC1=C(O)C=CC2=C1OC(CC2=O)C1=CC=C(O)C=C1,"InChI=1S/C16H14O5/c1-20-16-12(18)7-6-11-13(19)8-14(21-15(11)16)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3",BMGKZGNJRBKRFC,UHFFFAOYSA,N,Heliannone C,BMGKZGNJRBKRFC-UHFFFAOYSA-N
HMDB31421,300.099773622,C17H16O5,COC1=C(OC)C2=C(C=C1)C(=O)CC(O2)C1=CC=C(O)C=C1,"InChI=1S/C17H16O5/c1-20-14-8-7-12-13(19)9-15(22-16(12)17(14)21-2)10-3-5-11(18)6-4-10/h3-8,15,18H,9H2,1-2H3",JICUYFPHCQPXNY,UHFFFAOYSA,N,Heliannone B,JICUYFPHCQPXNY-UHFFFAOYSA-N
HMDB31422,390.13146768,C20H22O8,OC[C@H]1O[C@@H](OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1",HSTZMXCBWJGKHG,BUFXCDORSA,N,cis-Piceid,HSTZMXCBWJGKHG-BUFXCDORSA-N
HMDB31423,406.126382302,C20H22O9,OCC1OC(OC2=CC=CC=C2COC(=O)C2=CC=CC=C2O)C(O)C(O)C1O,"InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-8-4-1-5-11(14)10-27-19(26)12-6-2-3-7-13(12)22/h1-8,15-18,20-25H,9-10H2",YHBIHSCTXBGAIK,UHFFFAOYSA,N,omega-Salicoyisalicin,YHBIHSCTXBGAIK-UHFFFAOYSA-N
HMDB31424,846.221858406,C39H42O21,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OCC3OC(OC4=C(OC5=C(C(O)=C(OC)C(O)=C5)C4=O)C4=CC(OC)=C(O)C=C4)C(O)C(O)C3O)OC(CO)C(O)C2O)=C1,"InChI=1S/C39H42O21/c1-52-20-10-15(4-7-17(20)41)5-9-25(44)59-37-32(50)27(45)23(13-40)57-39(37)55-14-24-28(46)31(49)33(51)38(58-24)60-36-30(48)26-22(12-19(43)35(54-3)29(26)47)56-34(36)16-6-8-18(42)21(11-16)53-2/h4-12,23-24,27-28,31-33,37-43,45-47,49-51H,13-14H2,1-3H3/b9-5+",JPWBILVSQWPLAW,WEVVVXLNSA,N,Spinacetin 3-(2''-feruloylgentiobioside),JPWBILVSQWPLAW-WEVVVXLNSA-N
HMDB31425,802.216773028,C34H42O22,COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O,"InChI=1S/C34H42O22/c1-48-14-5-11(3-4-12(14)37)26-28(22(42)18-15(52-26)6-13(38)27(49-2)21(18)41)55-32-29(56-33-30(46)34(47,9-36)10-51-33)24(44)20(40)17(54-32)8-50-31-25(45)23(43)19(39)16(7-35)53-31/h3-6,16-17,19-20,23-25,29-33,35-41,43-47H,7-10H2,1-2H3/t16-,17-,19-,20-,23+,24+,25-,29-,30+,31-,32+,33+,34-/m1/s1",NVYWCFHFPXGDKS,CWKIFMPXSA,N,Spinacetin 3-(2''-apiosylgentiobioside),NVYWCFHFPXGDKS-CWKIFMPXSA-N
HMDB31426,948.253552464,C43H48O24,COC1=CC(=CC=C1O)C1=C(O[C@@H]2OC(CO[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)C(=O)C2=C(O)C(OC)=C(O)C=C2O1,"InChI=1S/C43H48O24/c1-58-22-11-18(6-9-20(22)47)34-36(31(53)27-23(62-34)12-21(48)35(59-2)30(27)52)66-41-38(67-42-39(56)43(57,15-45)16-61-42)33(55)29(51)25(64-41)14-60-40-37(32(54)28(50)24(13-44)63-40)65-26(49)10-5-17-3-7-19(46)8-4-17/h3-12,24-25,28-29,32-33,37-42,44-48,50-52,54-57H,13-16H2,1-2H3/b10-5+/t24-,25?,28+,29+,32-,33-,37+,38+,39-,40+,41-,42-,43+/m0/s1",CRMQLXUPYMVANT,FXDLSBRASA,N,Spinacetin 3-[p-coumaroyl-(->2)-glucosyl-(1->6)-[apiosyl-(1->2)]-glucoside],CRMQLXUPYMVANT-FXDLSBRASA-N
HMDB31427,978.26411715,C44H50O25,COC1=CC(=CC=C1O)C1=C(O[C@@H]2OC(CO[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)C(=O)C2=C(O)C(OC)=C(O)C=C2O1,"InChI=1S/C44H50O25/c1-59-22-10-17(4-7-19(22)47)5-9-27(50)67-38-33(55)29(51)25(13-45)65-41(38)62-14-26-30(52)34(56)39(69-43-40(57)44(58,15-46)16-63-43)42(66-26)68-37-32(54)28-24(12-21(49)36(61-3)31(28)53)64-35(37)18-6-8-20(48)23(11-18)60-2/h4-12,25-26,29-30,33-34,38-43,45-49,51-53,55-58H,13-16H2,1-3H3/b9-5+/t25-,26?,29+,30+,33-,34-,38+,39+,40-,41+,42-,43-,44+/m0/s1",OWEXXLIDPNHERV,CYPTYPKOSA,N,Spinacetin 3-[feruloyl-(->2)-glucosyl-(1->6)-[apiosyl-(1->2)]-glucoside],OWEXXLIDPNHERV-CYPTYPKOSA-N
HMDB31428,284.068473494,C16H12O5,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2,"InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)19)15-8-12(18)11-4-3-10(17)7-16(11)21-15/h2-8,17,19H,1H3",QAGGICSUEVNSGH,UHFFFAOYSA,N,Farnisin,QAGGICSUEVNSGH-UHFFFAOYSA-N
HMDB31429,114.10446507,C7H14O,CC(C)C(=O)C(C)C,"InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3",HXVNBWAKAOHACI,UHFFFAOYSA,N,"2,4-Dimethyl-3-pentanone",HXVNBWAKAOHACI-UHFFFAOYSA-N
HMDB31430,62.036779436,C2H6O2,COOC,InChI=1S/C2H6O2/c1-3-4-2/h1-2H3,SRXOCFMDUSFFAK,UHFFFAOYSA,N,Dimethyl peroxide,SRXOCFMDUSFFAK-UHFFFAOYSA-N
HMDB31431,118.081621138,C6H14S,CCCSCCC,"InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3",ZERULLAPCVRMCO,UHFFFAOYSA,N,Dipropyl sulfide,ZERULLAPCVRMCO-UHFFFAOYSA-N
HMDB31434,157.836675294,Br2,BrBr,InChI=1S/Br2/c1-2,GDTBXPJZTBHREO,UHFFFAOYSA,N,Bromine,GDTBXPJZTBHREO-UHFFFAOYSA-N
HMDB31436,95.987885149,H4O4Si,O[Si](O)(O)O,"InChI=1S/H4O4Si/c1-5(2,3)4/h1-4H",RMAQACBXLXPBSY,UHFFFAOYSA,N,Silicic acid,RMAQACBXLXPBSY-UHFFFAOYSA-N
HMDB31437,194.07903818,C7H14O6,CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5-,6-,7-/m1/s1",DSCFFEYYQKSRSV,AGZHHQKVSA,N,(-)-Bornesitol,DSCFFEYYQKSRSV-AGZHHQKVSA-N
HMDB31438,426.386166222,C30H50O,[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,"InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1",CAHGCLMLTWQZNJ,WZLOIPHISA,N,Euphol,CAHGCLMLTWQZNJ-WZLOIPHISA-N
HMDB31440,170.13067982,C10H18O2,CC1(C)O[C@@](C)(CC[C@H]1O)C=C,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1",BCTBAGTXFYWYMW,PSASIEDQSA,N,Linalool oxide (trans-pyranoid),BCTBAGTXFYWYMW-PSASIEDQSA-N
HMDB31441,170.13067982,C10H18O2,CC1(C)O[C@](C)(CC[C@H]1O)C=C,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m1/s1",BCTBAGTXFYWYMW,SCZZXKLOSA,N,Linalool oxide III,BCTBAGTXFYWYMW-SCZZXKLOSA-N
HMDB31443,1434.651465162,C64H106O35,[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)C(CCC(=C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(OC)O2,"InChI=1S/C64H106O35/c1-22(21-87-56-47(81)43(77)38(72)31(15-65)89-56)8-11-64(86-5)23(2)37-30(99-64)13-27-25-7-6-24-12-29(28(71)14-63(24,4)26(25)9-10-62(27,37)3)88-57-50(84)46(80)52(36(20-70)94-57)95-61-55(54(42(76)35(19-69)93-61)97-59-49(83)45(79)40(74)33(17-67)91-59)98-60-51(85)53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58/h23-61,65-85H,1,6-21H2,2-5H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32+,33+,34+,35+,36+,37-,38+,39+,40+,41+,42+,43-,44-,45-,46+,47+,48+,49+,50+,51+,52-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,64?/m0/s1",PRHKAXKZWQKOLN,FFYBEAOXSA,N,Capsicoside E,PRHKAXKZWQKOLN-FFYBEAOXSA-N
HMDB31444,170.203450832,C12H26,CCCCCCCCCCCC,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3",SNRUBQQJIBEYMU,UHFFFAOYSA,N,N-Dodecane,SNRUBQQJIBEYMU-UHFFFAOYSA-N
HMDB31445,156.187800768,C11H24,CCCCCCCCCCC,"InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3",RSJKGSCJYJTIGS,UHFFFAOYSA,N,Undecane,RSJKGSCJYJTIGS-UHFFFAOYSA-N
HMDB31446,136.088815006,C9H12O,CC(C)C1=CC=C(O)C=C1,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",YQUQWHNMBPIWGK,UHFFFAOYSA,N,p-Isopropylphenol,YQUQWHNMBPIWGK-UHFFFAOYSA-N
HMDB31447,100.125200512,C7H16,CCCCCCC,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",IMNFDUFMRHMDMM,UHFFFAOYSA,N,N-Heptane,IMNFDUFMRHMDMM-UHFFFAOYSA-N
HMDB31448,584.283276872,C29H44O12,C[C@H]1O[C@@H](O[C@H]2C[C@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](CC[C@@]5(O)[C@@H]4CC[C@@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15+,16+,17-,18-,19+,21-,22-,23-,24-,25+,26-,27-,28-,29-/m1/s1",LPMXVESGRSUGHW,NZMIQZKWSA,N,Glycosides,LPMXVESGRSUGHW-NZMIQZKWSA-N
HMDB31449,194.07903818,C7H14O6,CO[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3+,4-,5-,6+,7+",DSCFFEYYQKSRSV,GWJPIIGYSA,N,Sequoyitol,DSCFFEYYQKSRSV-GWJPIIGYSA-N
HMDB31450,142.172150704,C10H22,CCCCCCCCCC,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",DIOQZVSQGTUSAI,UHFFFAOYSA,N,N-Decane,DIOQZVSQGTUSAI-UHFFFAOYSA-N
HMDB31452,414.13146768,C22H22O8,COC1=CC(=CC(OC)=C1OC)[C@H]1[C@H]2C(COC2=O)[C@@H](O)C2=CC3=C(OCO3)C=C12,"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13?,18-,19-,20+/m1/s1",YJGVMLPVUAXIQN,BCVBHCCTSA,N,Lignans,YJGVMLPVUAXIQN-BCVBHCCTSA-N
HMDB31453,59.984743866,CO3,[O-]C([O-])=O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2",BVKZGUZCCUSVTD,UHFFFAOYSA,L,Carbonate,BVKZGUZCCUSVTD-UHFFFAOYSA-L
HMDB31454,164.120115134,C11H16O,CC\C=C\CC1=C(C)CCC1=O,"InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4+",XMLSXPIVAXONDL,SNAWJCMRSA,N,trans-Jasmone,XMLSXPIVAXONDL-SNAWJCMRSA-N
HMDB31455,140.15650064,C10H20,CC(C)C1CCC(C)CC1,"InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3",CFJYNSNXFXLKNS,UHFFFAOYSA,N,p-Menthane,CFJYNSNXFXLKNS-UHFFFAOYSA-N
HMDB31456,74.073164942,C4H10O,CC(C)(C)O,"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3",DKGAVHZHDRPRBM,UHFFFAOYSA,N,2-Methylpropan-2-ol,DKGAVHZHDRPRBM-UHFFFAOYSA-N
HMDB31457,634.0806139,C27H22O18,O[C@@H]1[C@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)O2,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1",TUSDEZXZIZRFGC,XIGLUPEJSA,N,Corilagin,TUSDEZXZIZRFGC-XIGLUPEJSA-N
HMDB31458,595.166295322,C27H31O15,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",USNPULRDBDVJAO,FXCAAIILSA,O,Cyanidin 3-rutinoside,USNPULRDBDVJAO-FXCAAIILSA-O
HMDB31459,136.0524295,C8H8O2,COC1=CC(C=O)=CC=C1,"InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3",WMPDAIZRQDCGFH,UHFFFAOYSA,N,3-Methoxybenzaldehyde,WMPDAIZRQDCGFH-UHFFFAOYSA-N
HMDB31460,207.080989974,C15H11O,C1=CC=C(C=C1)C1=[O+]C2=CC=CC=C2C=C1,InChI=1S/C15H11O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+1,NWKFECICNXDNOQ,UHFFFAOYSA,N,Anthocyanidins,NWKFECICNXDNOQ-UHFFFAOYSA-N
HMDB31461,318.23475096,C24H30,CC1=CC=C(C)C=C1.CC1=CC(C)=CC=C1.CC1=CC=CC=C1C,"InChI=1S/3C8H10/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3*3-6H,1-2H3",MVZVDAGWAAZJPE,UHFFFAOYSA,N,Xylene,MVZVDAGWAAZJPE-UHFFFAOYSA-N
HMDB31462,332.23514489,C21H32O3,CCCCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3/b12-11+",FADFGCOCHHNRHF,VAWYXSNFSA,N,[10]-Shogaol,FADFGCOCHHNRHF-VAWYXSNFSA-N
HMDB31463,276.172544634,C17H24O3,CCCCCC=CC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3",OQWKEEOHDMUXEO,UHFFFAOYSA,N,[8]-Shogaol,OQWKEEOHDMUXEO-UHFFFAOYSA-N
HMDB31464,304.203844762,C19H28O3,CCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-10,12,14-15,21H,3-8,11,13H2,1-2H3/b10-9+",LGZSMXJRMTYABD,MDZDMXLPSA,N,cis-[8]-Shogaol,LGZSMXJRMTYABD-MDZDMXLPSA-N
HMDB31465,346.250794954,C22H34O3,CCCCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(OC)C=C1,"InChI=1S/C22H34O3/c1-4-5-6-7-8-9-10-11-12-13-20(23)16-14-19-15-17-21(24-2)22(18-19)25-3/h12-13,15,17-18H,4-11,14,16H2,1-3H3/b13-12+",KKRNHCNPKJGKDR,OUKQBFOZSA,N,Methyl-[10]-shogaol,KKRNHCNPKJGKDR-OUKQBFOZSA-N
HMDB31466,182.979850365,C4H9NO2Se,C[Se]CC(N)C(O)=O,"InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",XDSSPSLGNGIIHP,UHFFFAOYSA,N,Selenomethyl selenocysteine,XDSSPSLGNGIIHP-UHFFFAOYSA-N
HMDB31468,611.161209944,C27H31O16,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-8-18-20(34)22(36)24(38)27(43-18)41-16-6-11-13(31)4-10(29)5-15(11)40-25(16)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-28,33-38H,7-8H2,(H3-,29,30,31,32)/p+1/t17-,18-,19-,20+,21+,22+,23-,24-,26-,27-/m1/s1",SOSQBIZNYUDNPG,HGHVJJQGSA,O,Cyanidin 3-glucogalactoside,SOSQBIZNYUDNPG-HGHVJJQGSA-O
HMDB31469,208.109944378,C12H16O3,COC1=CC(OC)=C(\C=C\C)C=C1OC,"InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+",RKFAZBXYICVSKP,AATRIKPKSA,N,trans-Isoasarone,RKFAZBXYICVSKP-AATRIKPKSA-N
HMDB31470,151.978812326,C4H8S3,CC1SSC(C)S1,"InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3",HFRUNLRFNNTTPQ,UHFFFAOYSA,N,"3,5-Dimethyl-1,2,4-trithiolane",HFRUNLRFNNTTPQ-UHFFFAOYSA-N
HMDB31471,308.198759384,C18H28O4,CC1CC(C)C2C(C1)C=C(C)C(C(O)=O)C2(C)C(=O)CCO,"InChI=1S/C18H28O4/c1-10-7-11(2)15-13(8-10)9-12(3)16(17(21)22)18(15,4)14(20)5-6-19/h9-11,13,15-16,19H,5-8H2,1-4H3,(H,21,22)",SFTQDPVLDKOILY,UHFFFAOYSA,N,Diplodiatoxin,SFTQDPVLDKOILY-UHFFFAOYSA-N
HMDB31472,150.053691828,C6H14S2,CCCSSCCC,"InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3",ALVPFGSHPUPROW,UHFFFAOYSA,N,Dipropyl disulfide,ALVPFGSHPUPROW-UHFFFAOYSA-N
HMDB31473,120.006741636,C4H8S2,C1CSCSC1,InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2,WQADWIOXOXRPLN,UHFFFAOYSA,N,"1,3-Dithiane",WQADWIOXOXRPLN-UHFFFAOYSA-N
HMDB31474,120.006741636,C4H8S2,C1CSCCS1,InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2,LOZWAPSEEHRYPG,UHFFFAOYSA,N,"1,4-Dithiane",LOZWAPSEEHRYPG-UHFFFAOYSA-N
HMDB31475,114.10446507,C7H14O,CCCCCCC=O,"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3",FXHGMKSSBGDXIY,UHFFFAOYSA,N,Heptanal,FXHGMKSSBGDXIY-UHFFFAOYSA-N
HMDB31476,128.083729628,C7H12O2,CCCCC(=O)C(C)=O,"InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3",FJPGAMCQJNLTJC,UHFFFAOYSA,N,"2,3-Heptanedione",FJPGAMCQJNLTJC-UHFFFAOYSA-N
HMDB31477,128.083729628,C7H12O2,CCCC(=O)C(=O)CC,"InChI=1S/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-5H2,1-2H3",LBCCPKFTHIBIKU,UHFFFAOYSA,N,"3,4-Heptanedione",LBCCPKFTHIBIKU-UHFFFAOYSA-N
HMDB31478,144.115029756,C8H16O2,CCCCCCC(=O)OC,"InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3",XNCNNDVCAUWAIT,UHFFFAOYSA,N,Methyl heptanoate,XNCNNDVCAUWAIT-UHFFFAOYSA-N
HMDB31479,116.120115134,C7H16O,CCCCCCCO,"InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3",BBMCTIGTTCKYKF,UHFFFAOYSA,N,1-Heptanol,BBMCTIGTTCKYKF-UHFFFAOYSA-N
HMDB31480,158.13067982,C9H18O2,CCCCCCCOC(C)=O,"InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3",ZCZSIDMEHXZRLG,UHFFFAOYSA,N,Heptyl acetate,ZCZSIDMEHXZRLG-UHFFFAOYSA-N
HMDB31481,116.120115134,C7H16O,CCCCC(O)CC,"InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3",RZKSECIXORKHQS,UHFFFAOYSA,N,xi-3-Heptanol,RZKSECIXORKHQS-UHFFFAOYSA-N
HMDB31482,114.10446507,C7H14O,CCCCC(=O)CC,"InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3",NGAZZOYFWWSOGK,UHFFFAOYSA,N,3-Heptanone,NGAZZOYFWWSOGK-UHFFFAOYSA-N
HMDB31483,112.088815006,C7H12O,CC\C=C/CCC=O,"InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-",VVGOCOMZRGWHPI,ARJAWSKDSA,N,(Z)-4-Heptenal,VVGOCOMZRGWHPI-ARJAWSKDSA-N
HMDB31484,128.083729628,C7H12O2,CCCC\C=C\C(O)=O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+",YURNCBVQZBJDAJ,AATRIKPKSA,N,2-Heptenoic acid,YURNCBVQZBJDAJ-AATRIKPKSA-N
HMDB31486,112.088815006,C7H12O,CCC\C=C\C(C)=O,"InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+",JHHZQADGLDKIPM,AATRIKPKSA,N,3-Hepten-2-one,JHHZQADGLDKIPM-AATRIKPKSA-N
HMDB31487,112.088815006,C7H12O,CC\C=C\CC(C)=O,"InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4-5H,3,6H2,1-2H3/b5-4+",VQKIKHHXFHNXJT,SNAWJCMRSA,N,(E)-4-Hepten-2-one,VQKIKHHXFHNXJT-SNAWJCMRSA-N
HMDB31488,112.088815006,C7H12O,CCCC(=O)\C=C\C,"InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3,5H,4,6H2,1-2H3/b5-3+",TXVAOITYBBWKMG,HWKANZROSA,N,2-Hepten-4-one,TXVAOITYBBWKMG-HWKANZROSA-N
HMDB31489,261.808030864,C3Cl6O,ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl,"InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9",DOJXGHGHTWFZHK,UHFFFAOYSA,N,"1,1,1,3,3,3-Hexachloro-2-propanone",DOJXGHGHTWFZHK-UHFFFAOYSA-N
HMDB31490,118.099379692,C6H14O2,CC(O)CCCCO,"InChI=1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3",UNVGBIALRHLALK,UHFFFAOYSA,N,"(±)-1,5-Hexanediol",UNVGBIALRHLALK-UHFFFAOYSA-N
HMDB31491,114.068079564,C6H10O2,CCCC(=O)C(C)=O,"InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3",MWVFCEVNXHTDNF,UHFFFAOYSA,N,"2,3-Hexanedione",MWVFCEVNXHTDNF-UHFFFAOYSA-N
HMDB31492,114.068079564,C6H10O2,CCC(=O)C(=O)CC,"InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3",KVFQMAZOBTXCAZ,UHFFFAOYSA,N,"3,4-Hexanedione",KVFQMAZOBTXCAZ-UHFFFAOYSA-N
HMDB31493,102.10446507,C6H14O,CCCC(O)CC,"InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3",ZOCHHNOQQHDWHG,UHFFFAOYSA,N,3-Hexanol,ZOCHHNOQQHDWHG-UHFFFAOYSA-N
HMDB31496,98.073164942,C6H10O,CCCC=CC=O,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3",MBDOYVRWFFCFHM,UHFFFAOYSA,N,2-Hexenal,MBDOYVRWFFCFHM-UHFFFAOYSA-N
HMDB31497,98.073164942,C6H10O,CCC=CCC=O,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3",GXANMBISFKBPEX,UHFFFAOYSA,N,3-Hexenal,GXANMBISFKBPEX-UHFFFAOYSA-N
HMDB31498,98.073164942,C6H10O,CC\C=C/CC=O,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-",GXANMBISFKBPEX,ARJAWSKDSA,N,(Z)-3-Hexenal,GXANMBISFKBPEX-ARJAWSKDSA-N
HMDB31500,128.083729628,C7H12O2,CCC\C=C\C(=O)OC,"InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+",GFUGBRNILVVWIE,AATRIKPKSA,N,Methyl 2E-hexenoate,GFUGBRNILVVWIE-AATRIKPKSA-N
HMDB31501,114.068079564,C6H10O2,CC\C=C/CC(O)=O,"InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3-",XXHDAWYDNSXJQM,ARJAWSKDSA,N,3-Hexenoic acid,XXHDAWYDNSXJQM-ARJAWSKDSA-N
HMDB31502,100.088815006,C6H12O,C\C=C/CCCO,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2-",VTIODUHBZHNXFP,IHWYPQMZSA,N,(E)-4-Hexen-1-ol,VTIODUHBZHNXFP-IHWYPQMZSA-N
HMDB31503,100.088815006,C6H12O,CCCC(O)C=C,"InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3",BVOSSZSHBZQJOI,UHFFFAOYSA,N,1-Hexen-3-ol,BVOSSZSHBZQJOI-UHFFFAOYSA-N
HMDB31504,128.083729628,C7H12O2,CC\C=C/CC(=O)OC,"InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4-",XEAIHUDTEINXFG,PLNGDYQASA,N,Methyl (Z)-3-hexenoate,XEAIHUDTEINXFG-PLNGDYQASA-N
HMDB31505,144.137496532,C6H16N4,NCCCCCNC(N)=N,"InChI=1S/C6H16N4/c7-4-2-1-3-5-10-6(8)9/h1-5,7H2,(H4,8,9,10)",XJHFHPPZQVRVHD,UHFFFAOYSA,N,Homoagmatine,XJHFHPPZQVRVHD-UHFFFAOYSA-N
HMDB31506,159.173547687,C8H21N3,NCCCCNCCCCN,"InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2",UODZHRGDSPLRMD,UHFFFAOYSA,N,"4,4'-Diaminodibutylamine",UODZHRGDSPLRMD-UHFFFAOYSA-N
HMDB31507,88.0524295,C4H8O2,CCC(=O)CO,"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3",GFAZHVHNLUBROE,UHFFFAOYSA,N,1-Hydroxy-2-butanone,GFAZHVHNLUBROE-UHFFFAOYSA-N
HMDB31509,160.109944378,C8H16O3,CCCC(O)CC(=O)OCC,"InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3",LYRIITRHDCNUHV,UHFFFAOYSA,N,Ethyl (±)-3-hydroxyhexanoate,LYRIITRHDCNUHV-UHFFFAOYSA-N
HMDB31510,202.120509064,C10H18O4,CC(C)CC(=O)OC(C(C)C)C(O)=O,"InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13)",SOJFCTIYHPWXGZ,UHFFFAOYSA,N,R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl,SOJFCTIYHPWXGZ-UHFFFAOYSA-N
HMDB31511,116.083729628,C6H12O2,CC(=O)CC(C)(C)O,"InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3",SWXVUIWOUIDPGS,UHFFFAOYSA,N,Diacetone alcohol,SWXVUIWOUIDPGS-UHFFFAOYSA-N
HMDB31512,84.057514878,C5H8O,C\C=C(\C)C=O,"InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-",ACWQBUSCFPJUPN,HYXAFXHYSA,N,Tiglic aldehyde,ACWQBUSCFPJUPN-HYXAFXHYSA-N
HMDB31513,174.125594442,C9H18O3,CCCCCCC(O)CC(O)=O,"InChI=1S/C9H18O3/c1-2-3-4-5-6-8(10)7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)",XBUXARJOYUQNTC,UHFFFAOYSA,N,(±)-3-Hydroxynonanoic acid,XBUXARJOYUQNTC-UHFFFAOYSA-N
HMDB31514,156.115029756,C9H16O2,CCCCC1CCCC(=O)O1,"InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3",PXRBWNLUQYZAAX,UHFFFAOYSA,N,6-Butyltetrahydro-2H-pyran-2-one,PXRBWNLUQYZAAX-UHFFFAOYSA-N
HMDB31515,150.031694058,C8H6O3,OCC#CC#C\C=C/C(O)=O,"InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6-8(10)11/h4,6,9H,7H2,(H,10,11)/b6-4-",GKFXZHLOGJDYKO,XQRVVYSFSA,N,"(E)-8-Hydroxy-2-octene-4,6-diynoic acid",GKFXZHLOGJDYKO-XQRVVYSFSA-N
HMDB31516,102.068079564,C5H10O2,CCC(O)C(C)=O,"InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3",HDKKRASBPHFULQ,UHFFFAOYSA,N,3-Hydroxy-2-pentanone,HDKKRASBPHFULQ-UHFFFAOYSA-N
HMDB31517,194.094294314,C11H14O3,OC(CCC1=CC=CC=C1)CC(O)=O,"InChI=1S/C11H14O3/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)",IMMRMPAXYUIDLR,UHFFFAOYSA,N,(R)-3-Hydroxy-5-phenylpentanoic acid,IMMRMPAXYUIDLR-UHFFFAOYSA-N
HMDB31518,134.021523302,C4H6O5,O[C@H](CC(O)=O)C(O)=O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1",BJEPYKJPYRNKOW,UWTATZPHSA,N,D-Malic acid,BJEPYKJPYRNKOW-UWTATZPHSA-N
HMDB31519,132.060885696,C6H12OS,CC(=O)CC(C)(C)S,"InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3",QRNZMFDCKKEPSX,UHFFFAOYSA,N,4-Mercapto-4-methyl-2-pentanone,QRNZMFDCKKEPSX-UHFFFAOYSA-N
HMDB31520,106.008850126,C3H6O2S,CC(S)C(O)=O,"InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)",PMNLUUOXGOOLSP,UHFFFAOYSA,N,2-Mercaptopropanoic acid,PMNLUUOXGOOLSP-UHFFFAOYSA-N
HMDB31521,134.040150254,C5H10O2S,CCOC(=O)C(C)S,"InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3",LXXNWCFBZHKFPT,UHFFFAOYSA,N,Ethyl 2-mercaptopropionate,LXXNWCFBZHKFPT-UHFFFAOYSA-N
HMDB31522,117.990223174,C3H2O5,OC(=O)C(=O)C(O)=O,"InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)",XEEVLJKYYUVTRC,UHFFFAOYSA,N,Mesoxalic acid,XEEVLJKYYUVTRC-UHFFFAOYSA-N
HMDB31523,74.036779436,C3H6O2,COC(C)=O,InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3,KXKVLQRXCPHEJC,UHFFFAOYSA,N,Methyl acetate,KXKVLQRXCPHEJC-UHFFFAOYSA-N
HMDB31524,93.941812743,CH3Br,CBr,InChI=1S/CH3Br/c1-2/h1H3,GZUXJHMPEANEGY,UHFFFAOYSA,N,Bromomethane,GZUXJHMPEANEGY-UHFFFAOYSA-N
HMDB31525,86.073164942,C5H10O,CC[C@H](C)C=O,"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1",BYGQBDHUGHBGMD,YFKPBYRVSA,N,(S)-2-Methylbutanal,BYGQBDHUGHBGMD-YFKPBYRVSA-N
HMDB31526,86.073164942,C5H10O,CCC(C)C=O,"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3",BYGQBDHUGHBGMD,UHFFFAOYSA,N,(±)-2-Methylbutanal,BYGQBDHUGHBGMD-UHFFFAOYSA-N
HMDB31527,88.088815006,C5H12O,CCC(C)CO,"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",QPRQEDXDYOZYLA,UHFFFAOYSA,N,(S)-2-Methyl-1-butanol,QPRQEDXDYOZYLA-UHFFFAOYSA-N
HMDB31528,130.099379692,C7H14O2,CC(C)CCOC(C)=O,"InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3",MLFHJEHSLIIPHL,UHFFFAOYSA,N,Isopentyl acetate,MLFHJEHSLIIPHL-UHFFFAOYSA-N
HMDB31529,102.05032101,C5H10S,CC(C)=CCS,"InChI=1S/C5H10S/c1-5(2)3-4-6/h3,6H,4H2,1-2H3",GYDPOKGOQFTYGW,UHFFFAOYSA,N,3-Methyl-2-butene-1-thiol,GYDPOKGOQFTYGW-UHFFFAOYSA-N
HMDB31530,84.057514878,C5H8O,CC(=C)C(C)=O,"InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3",ZGHFDIIVVIFNPS,UHFFFAOYSA,N,3-Methyl-3-buten-2-one,ZGHFDIIVVIFNPS-UHFFFAOYSA-N
HMDB31531,156.115029756,C9H16O2,CCCCCC1CCC(=O)O1,"InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3",OALYTRUKMRCXNH,UHFFFAOYSA,N,Dihydro-5-pentyl-2(3H)-furanone,OALYTRUKMRCXNH-UHFFFAOYSA-N
HMDB31532,94.07825032,C7H10,CC1=CC=CCC1,"InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3",QMFJIJFIHIDENY,UHFFFAOYSA,N,"1-Methyl-1,3-cyclohexadiene",QMFJIJFIHIDENY-UHFFFAOYSA-N
HMDB31533,328.058302738,C17H12O7,COC1=C(C(O)=O)C(C)=C2C(=O)C3=C(C=C(O)C=C3O)C(=O)C2=C1,"InChI=1S/C17H12O7/c1-6-12-9(5-11(24-2)13(6)17(22)23)15(20)8-3-7(18)4-10(19)14(8)16(12)21/h3-5,18-19H,1-2H3,(H,22,23)",QEHCRDXGPIFLOF,UHFFFAOYSA,N,Rhamnalpinogenin,QEHCRDXGPIFLOF-UHFFFAOYSA-N
HMDB31534,326.151809192,C20H22O4,COC1=CC2=CC=C1OC1=CC(CCC(=O)CCCC2)=CC=C1O,"InChI=1S/C20H22O4/c1-23-20-13-14-4-2-3-5-16(21)9-6-15-7-10-17(22)19(12-15)24-18(20)11-8-14/h7-8,10-13,22H,2-6,9H2,1H3",QUSSPXNPULRXKG,UHFFFAOYSA,N,(+)-Galeon,QUSSPXNPULRXKG-UHFFFAOYSA-N
HMDB31535,342.146723814,C20H22O5,COC1=CC2=CC=C1OC1=CC(=CC=C1O)C(O)CC(=O)CCCC2,"InChI=1S/C20H22O5/c1-24-20-10-13-4-2-3-5-15(21)12-17(23)14-7-8-16(22)19(11-14)25-18(20)9-6-13/h6-11,17,22-23H,2-5,12H2,1H3",LSAKHXDZRQBYTG,UHFFFAOYSA,N,Hydroxygaleon,LSAKHXDZRQBYTG-UHFFFAOYSA-N
HMDB31536,504.199547244,C26H32O10,COC1=C(OC2OC(CO)C(O)C(O)C2O)C2=CC=C1OC1=CC(CCC(=O)CCCC2)=CC=C1O,"InChI=1S/C26H32O10/c1-33-25-18-11-8-15(24(25)36-26-23(32)22(31)21(30)20(13-27)35-26)4-2-3-5-16(28)9-6-14-7-10-17(29)19(12-14)34-18/h7-8,10-12,20-23,26-27,29-32H,2-6,9,13H2,1H3",RALVCBWUWHJOGL,UHFFFAOYSA,N,Myricatomentoside I,RALVCBWUWHJOGL-UHFFFAOYSA-N
HMDB31537,130.081621138,C7H14S,CC1CCCC(S)C1,"InChI=1S/C7H14S/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3",PWHHTYJQSMSOEC,UHFFFAOYSA,N,3-Methylcyclohexanethiol,PWHHTYJQSMSOEC-UHFFFAOYSA-N
HMDB31538,114.10446507,C7H14O,CC1CCCC(O)C1,"InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3",HTSABYAWKQAHBT,UHFFFAOYSA,N,3-Methylcyclohexanol,HTSABYAWKQAHBT-UHFFFAOYSA-N
HMDB31539,112.088815006,C7H12O,CC1CCCCC1=O,"InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3",LFSAPCRASZRSKS,UHFFFAOYSA,N,2-Methylcyclohexanone,LFSAPCRASZRSKS-UHFFFAOYSA-N
HMDB31540,112.088815006,C7H12O,CC1CCC(=O)CC1,"InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3",VGVHNLRUAMRIEW,UHFFFAOYSA,N,4-Methylcyclohexanone,VGVHNLRUAMRIEW-UHFFFAOYSA-N
HMDB31541,110.073164942,C7H10O,CC1=CC(=O)CCC1,"InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3",IITQJMYAYSNIMI,UHFFFAOYSA,N,3-Methyl-2-cyclohexen-1-one,IITQJMYAYSNIMI-UHFFFAOYSA-N
HMDB31542,84.093900384,C6H12,CC1CCCC1,"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3",GDOPTJXRTPNYNR,UHFFFAOYSA,N,Methylcyclopentane,GDOPTJXRTPNYNR-UHFFFAOYSA-N
HMDB31543,112.0524295,C6H8O2,CC1CCC(=O)C1=O,"InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3",OACYKCIZDVVNJL,UHFFFAOYSA,N,"3-Methyl-1,2-cyclopentanedione",OACYKCIZDVVNJL-UHFFFAOYSA-N
HMDB31544,82.07825032,C6H10,CC1CCC=C1,"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3",CXOZQHPXKPDQGT,UHFFFAOYSA,N,3-Methylcyclopentene,CXOZQHPXKPDQGT-UHFFFAOYSA-N
HMDB31545,96.057514878,C6H8O,CC1=CCCC1=O,"InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3",ZSBWUNDRDHVNJL,UHFFFAOYSA,N,2-Methyl-2-cyclopenten-1-one,ZSBWUNDRDHVNJL-UHFFFAOYSA-N
HMDB31546,96.057514878,C6H8O,CC1=CC(=O)CC1,"InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3",CHCCBPDEADMNCI,UHFFFAOYSA,N,3-Methyl-2-cyclopenten-1-one,CHCCBPDEADMNCI-UHFFFAOYSA-N
HMDB31547,128.05857751,C5H8N2O2,CC1NC(=O)CNC1=O,"InChI=1S/C5H8N2O2/c1-3-5(9)6-2-4(8)7-3/h3H,2H2,1H3,(H,6,9)(H,7,8)",ICCHEGCKVBMSTF,UHFFFAOYSA,N,L-Cyclo(alanylglycyl),ICCHEGCKVBMSTF-UHFFFAOYSA-N
HMDB31548,83.953355478,CH2Cl2,ClCCl,InChI=1S/CH2Cl2/c2-1-3/h1H2,YMWUJEATGCHHMB,UHFFFAOYSA,N,Dichloromethane,YMWUJEATGCHHMB-UHFFFAOYSA-N
HMDB31549,114.10446507,C7H14O,CC(C)CCC(C)=O,"InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3",FFWSICBKRCICMR,UHFFFAOYSA,N,5-Methyl-2-hexanone,FFWSICBKRCICMR-UHFFFAOYSA-N
HMDB31550,112.088815006,C7H12O,CC(C)\C=C/C(C)=O,"InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4-",IYMKNYVCXUEFJE,PLNGDYQASA,N,5-Methyl-3-hexen-2-one,IYMKNYVCXUEFJE-PLNGDYQASA-N
HMDB31551,112.088815006,C7H12O,CC(=C)CCC(C)=O,"InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3",VBCIOOKAKHGVMI,UHFFFAOYSA,N,5-Methyl-5-hexen-2-one,VBCIOOKAKHGVMI-UHFFFAOYSA-N
HMDB31552,370.141638436,C21H22O6,COC1=CC(\C=C\C(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O,"InChI=1S/C21H22O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3,5-7,9-12,24-25H,4,8,13H2,1-2H3/b7-3+",MUYJSOCNDLUHPJ,XVNBXDOJSA,N,Dihydrocurcumin,MUYJSOCNDLUHPJ-XVNBXDOJSA-N
HMDB31553,204.115029756,C13H16O2,CC(O)C1=CC2=C(OC(C)(C)C=C2)C=C1,"InChI=1S/C13H16O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-9,14H,1-3H3",ICIIMFRGWJJFIH,UHFFFAOYSA,N,"6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran",ICIIMFRGWJJFIH-UHFFFAOYSA-N
HMDB31554,396.014550705,C12H19Cl3O8,OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl,"InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2",BAQAVOSOZGMPRM,UHFFFAOYSA,N,Sucralose,BAQAVOSOZGMPRM-UHFFFAOYSA-N
HMDB31555,450.116211546,C21H22O11,OCC1OC(OC2=CC(O)=C3C(OC(O)(CC4=CC=C(O)C=C4)C3=O)=C2)C(O)C(O)C1O,"InChI=1S/C21H22O11/c22-8-14-16(25)17(26)18(27)20(31-14)30-11-5-12(24)15-13(6-11)32-21(29,19(15)28)7-9-1-3-10(23)4-2-9/h1-6,14,16-18,20,22-27,29H,7-8H2",MWYRZWOULAZZHR,UHFFFAOYSA,N,Maesopsin 6-glucoside,MWYRZWOULAZZHR-UHFFFAOYSA-N
HMDB31556,128.15650064,C9H20,CCCCCCC(C)C,"InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3",ZUBZATZOEPUUQF,UHFFFAOYSA,N,Isononane,ZUBZATZOEPUUQF-UHFFFAOYSA-N
HMDB31557,158.13067982,C9H18O2,CCCCC(C)CCC(O)=O,"InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",LEGGANXCVQPIAI,UHFFFAOYSA,N,4-Methyloctanoic acid,LEGGANXCVQPIAI-UHFFFAOYSA-N
HMDB31558,58.041864814,C3H6O,CC1CO1,"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3",GOOHAUXETOMSMM,UHFFFAOYSA,N,Methyloxirane,GOOHAUXETOMSMM-UHFFFAOYSA-N
HMDB31559,114.068079564,C6H10O2,CC(C)C(=O)C(C)=O,"InChI=1S/C6H10O2/c1-4(2)6(8)5(3)7/h4H,1-3H3",JENYBWHRLYZSSZ,UHFFFAOYSA,N,"4-Methyl-2,3-pentanedione",JENYBWHRLYZSSZ-UHFFFAOYSA-N
HMDB31560,114.068079564,C6H10O2,CC\C=C(\C)C(O)=O,"InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4-",JJYWRQLLQAKNAD,PLNGDYQASA,N,2-Methyl-2-pentenoic acid,JJYWRQLLQAKNAD-PLNGDYQASA-N
HMDB31561,114.068079564,C6H10O2,CC(C)\C=C/C(O)=O,"InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3-",QAOXMQCWUWZZNC,ARJAWSKDSA,N,4-Methyl-2-pentenoic acid,QAOXMQCWUWZZNC-ARJAWSKDSA-N
HMDB31562,114.068079564,C6H10O2,C\C=C/C(C)C(O)=O,"InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3-",NFRJJFMXYKSRPK,ARJAWSKDSA,N,2-Methyl-3-pentenoic acid,NFRJJFMXYKSRPK-ARJAWSKDSA-N
HMDB31563,98.073164942,C6H10O,CC(C)=CC(C)=O,"InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3",SHOJXDKTYKFBRD,UHFFFAOYSA,N,"4-Methyl-3-penten-2-one, 9CI",SHOJXDKTYKFBRD-UHFFFAOYSA-N
HMDB31564,98.073164942,C6H10O,CC(=C)CC(C)=O,"InChI=1S/C6H10O/c1-5(2)4-6(3)7/h1,4H2,2-3H3",VADUDTKCGJKNDY,UHFFFAOYSA,N,4-Methyl-4-penten-2-one,VADUDTKCGJKNDY-UHFFFAOYSA-N
HMDB31565,166.135765198,C11H18O,CCCCCC1=C(C)CCC1=O,"InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3",YCIXWYOBMVNGTB,UHFFFAOYSA,N,Dihydrojasmone,YCIXWYOBMVNGTB-UHFFFAOYSA-N
HMDB31566,146.073164942,C10H10O,C\C(C=O)=C\C1=CC=CC=C1,"InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3/b9-7-",VLUMOWNVWOXZAU,CLFYSBASSA,N,2-Methyl-3-phenyl-2-propenal,VLUMOWNVWOXZAU-CLFYSBASSA-N
HMDB31567,160.088815006,C11H12O,CC(=O)C(\C)=C/C1=CC=CC=C1,"InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8-",BQJFBHBDOAIIGS,HJWRWDBZSA,N,3-Methyl-4-phenyl-3-buten-2-one,BQJFBHBDOAIIGS-HJWRWDBZSA-N
HMDB31568,178.135765198,C12H18O,CC(C)CC(O)CC1=CC=CC=C1,"InChI=1S/C12H18O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3",IUADYGVMSDKSMB,UHFFFAOYSA,N,4-Methyl-1-phenyl-2-pentanol,IUADYGVMSDKSMB-UHFFFAOYSA-N
HMDB31569,176.120115134,C12H16O,CC(C)CC(=O)CC1=CC=CC=C1,"InChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",DTYGTEGDVPAKDA,UHFFFAOYSA,N,4-Methyl-1-phenyl-2-pentanone,DTYGTEGDVPAKDA-UHFFFAOYSA-N
HMDB31570,150.10446507,C10H14O,CC(C)(O)CC1=CC=CC=C1,"InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3",RIWRBSMFKVOJMN,UHFFFAOYSA,N,2-Methyl-1-phenyl-2-propanol,RIWRBSMFKVOJMN-UHFFFAOYSA-N
HMDB31571,192.115029756,C12H16O2,CC(=O)OC(C)(C)CC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3",FLUWAIIVLCVEKF,UHFFFAOYSA,N,2-Methyl-1-phenyl-2-propanyl acetate,FLUWAIIVLCVEKF-UHFFFAOYSA-N
HMDB31572,160.092185824,C8H16OS,CCCC1CCOC(C)S1,"InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3",GKGOLPMYJJXRGD,UHFFFAOYSA,N,"2-Methyl-4-propyl-1,3-oxathiane",GKGOLPMYJJXRGD-UHFFFAOYSA-N
HMDB31573,175.012555295,C6H9NOS2,CS(=O)\C=C\CCN=C=S,"InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+",QKGJFQMGPDVOQE,HWKANZROSA,N,(R)-(E)-Sulforaphene,QKGJFQMGPDVOQE-HWKANZROSA-N
HMDB31574,189.064590865,C8H15NS2,CSCCCCCCN=C=S,"InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3",YIBXPFAXPUDDTK,UHFFFAOYSA,N,1-Isothiocyanato-6-(methylthio)hexane,YIBXPFAXPUDDTK-UHFFFAOYSA-N
HMDB31576,159.017640673,C6H9NS2,CS\C=C/CCN=C=S,"InChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3/b5-3-",RYSPJKHYSHFYEB,HYXAFXHYSA,N,(E)-4-Isothiocyanato-1-(methylthio)-1-butene,RYSPJKHYSHFYEB-HYXAFXHYSA-N
HMDB31577,175.048940801,C7H13NS2,CSCCCCCN=C=S,"InChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3",HBVIMVJTUQNSEP,UHFFFAOYSA,N,Berteroin,HBVIMVJTUQNSEP-UHFFFAOYSA-N
HMDB31578,100.088815006,C6H12O,CCCC(C)C=O,"InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3",FTZILAQGHINQQR,UHFFFAOYSA,N,2-Methylpentanal,FTZILAQGHINQQR-UHFFFAOYSA-N
HMDB31579,144.115029756,C8H16O2,CCCC(C)C(=O)OCC,"InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3",HZPKNSYIDSNZKW,UHFFFAOYSA,N,Ethyl (±)-2-methylpentanoate,HZPKNSYIDSNZKW-UHFFFAOYSA-N
HMDB31580,116.083729628,C6H12O2,CCCC(C)C(O)=O,"InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",OVBFMEVBMNZIBR,UHFFFAOYSA,N,(±)-2-Methylpentanoic acid,OVBFMEVBMNZIBR-UHFFFAOYSA-N
HMDB31581,87.068413915,C4H9NO,C1COCCN1,"InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2",YNAVUWVOSKDBBP,UHFFFAOYSA,N,Morpholine,YNAVUWVOSKDBBP-UHFFFAOYSA-N
HMDB31582,124.088815006,C8H12O,CC(C)=C\C=C/C(C)=O,"InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4-",KSKXSFZGARKWOW,XQRVVYSFSA,N,"6-Methyl-3,5-heptadien-2-one",KSKXSFZGARKWOW-XQRVVYSFSA-N
HMDB31583,114.140850576,C8H18,CCCCC(C)CC,"InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3",LAIUFBWHERIJIH,UHFFFAOYSA,N,3-Methylheptane,LAIUFBWHERIJIH-UHFFFAOYSA-N
HMDB31584,534.21011193,C27H34O11,COC1=C(OC2OC(CO)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CC(O)C(=O)CCCC2)=C1,"InChI=1S/C27H34O11/c1-35-25-16-11-14(5-3-4-6-18(30)19(31)10-13-7-8-17(29)15(16)9-13)24(26(25)36-2)38-27-23(34)22(33)21(32)20(12-28)37-27/h7-9,11,19-23,27-29,31-34H,3-6,10,12H2,1-2H3",BSILZSYJTIBPFN,UHFFFAOYSA,N,Myricatomentoside II,BSILZSYJTIBPFN-UHFFFAOYSA-N
HMDB31585,964.248467086,C43H48O25,COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2[C@H](OC[C@H]3O[C@@H](OC4=C(OC5=C(C(O)=C(OC)C(O)=C5)C4=O)C4=CC=C(O)C(O)=C4)[C@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C1,"InChI=1S/C43H48O25/c1-59-22-9-16(3-6-19(22)47)4-8-26(50)66-37-32(55)28(51)24(12-44)64-40(37)61-13-25-29(52)33(56)38(68-42-39(57)43(58,14-45)15-62-42)41(65-25)67-36-31(54)27-23(11-21(49)35(60-2)30(27)53)63-34(36)17-5-7-18(46)20(48)10-17/h3-11,24-25,28-29,32-33,37-42,44-49,51-53,55-58H,12-15H2,1-2H3/b8-4+/t24-,25-,28-,29-,32+,33+,37-,38-,39+,40-,41+,42+,43-/m1/s1",VSMDAOFJZBLZOB,JFGFUAGISA,N,Patuletin 3-(2''-apiosyl-[2'''-feruloylgentiobioside]),VSMDAOFJZBLZOB-JFGFUAGISA-N
HMDB31586,448.136946988,C22H24O10,COC1=C(O)C=CC2=C1C(=O)C1=C(C=C(CO)C=C1O)C2C1OC(CO)C(O)C(O)C1O,"InChI=1S/C22H24O10/c1-31-21-11(25)3-2-9-14(22-20(30)19(29)17(27)13(7-24)32-22)10-4-8(6-23)5-12(26)15(10)18(28)16(9)21/h2-5,13-14,17,19-20,22-27,29-30H,6-7H2,1H3",HDIOAZQFHQKMAI,UHFFFAOYSA,N,7-Hydroxy-8-O-methylaloin B,HDIOAZQFHQKMAI-UHFFFAOYSA-N
HMDB31587,144.115029756,C8H16O2,CCCCCC(C)C(O)=O,"InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",NKBWMBRPILTCRD,UHFFFAOYSA,N,2-Methylheptanoic acid,NKBWMBRPILTCRD-UHFFFAOYSA-N
HMDB31588,144.115029756,C8H16O2,CC(C)CCCCC(O)=O,"InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",OEOIWYCWCDBOPA,UHFFFAOYSA,N,6-Methylheptanoic acid,OEOIWYCWCDBOPA-UHFFFAOYSA-N
HMDB31589,130.135765198,C8H18O,CCCC(C)CC(C)O,"InChI=1S/C8H18O/c1-4-5-7(2)6-8(3)9/h7-9H,4-6H2,1-3H3",GUHWHNUGIGOSCN,UHFFFAOYSA,N,4-Methyl-2-heptanol,GUHWHNUGIGOSCN-UHFFFAOYSA-N
HMDB31590,126.10446507,C8H14O,CCC\C=C(/C)C(C)=O,"InChI=1S/C8H14O/c1-4-5-6-7(2)8(3)9/h6H,4-5H2,1-3H3/b7-6+",IZBMUZVSTLWUTH,VOTSOKGWSA,N,3-Methyl-3-hepten-2-one,IZBMUZVSTLWUTH-VOTSOKGWSA-N
HMDB31591,126.10446507,C8H14O,C\C=C(\C)CCC(C)=O,"InChI=1S/C8H14O/c1-4-7(2)5-6-8(3)9/h4H,5-6H2,1-3H3/b7-4-",UBAUYTYZPNZXIM,DAXSKMNVSA,N,5-Methyl-5-hepten-2-one,UBAUYTYZPNZXIM-DAXSKMNVSA-N
HMDB31592,371.978731788,C13H8O11S,OC(=O)C1CC(=O)C2=C1C1=C(OS(O)(=O)=O)C(O)=C(O)C=C1C(=O)O2,"InChI=1S/C13H8O11S/c14-5-2-4-8(11(9(5)16)24-25(20,21)22)7-3(12(17)18)1-6(15)10(7)23-13(4)19/h2-3,14,16H,1H2,(H,17,18)(H,20,21,22)",FOTVSXFSPLKLQZ,UHFFFAOYSA,N,Brevifolincarboxylic acid 9-sulfate,FOTVSXFSPLKLQZ-UHFFFAOYSA-N
HMDB31593,128.083729628,C7H12O2,CC(C)CC(=O)C(C)=O,"InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3",PQCLJXVUAWLNSV,UHFFFAOYSA,N,"5-Methyl-2,3-hexanedione",PQCLJXVUAWLNSV-UHFFFAOYSA-N
HMDB31594,130.099379692,C7H14O2,CCCCC(C)C(O)=O,"InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",CVKMFSAVYPAZTQ,UHFFFAOYSA,N,2-Methylhexanoic acid,CVKMFSAVYPAZTQ-UHFFFAOYSA-N
HMDB31595,130.099379692,C7H14O2,CC(C)CCCC(O)=O,"InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",MHPUGCYGQWGLJL,UHFFFAOYSA,N,5-Methylhexanoic acid,MHPUGCYGQWGLJL-UHFFFAOYSA-N
HMDB31596,144.115029756,C8H16O2,COC(=O)CCCC(C)C,"InChI=1S/C8H16O2/c1-7(2)5-4-6-8(9)10-3/h7H,4-6H2,1-3H3",VMHVFMBDCWCBHO,UHFFFAOYSA,N,Methyl 5-methylhexanoate,VMHVFMBDCWCBHO-UHFFFAOYSA-N
HMDB31597,82.041864814,C5H6O,C=C\C=C/C=O,"InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-",PPXGQLMPUIVFRE,ARJAWSKDSA,N,"2,4-Pentadienal",PPXGQLMPUIVFRE-ARJAWSKDSA-N
HMDB31598,100.0524295,C5H8O2,CCC(=O)C(C)=O,"InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3",TZMFJUDUGYTVRY,UHFFFAOYSA,N,"2,3-Pentanedione",TZMFJUDUGYTVRY-UHFFFAOYSA-N
HMDB31599,88.088815006,C5H12O,CCCC(C)O,"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",JYVLIDXNZAXMDK,UHFFFAOYSA,N,2-Pentanol,JYVLIDXNZAXMDK-UHFFFAOYSA-N
HMDB31600,130.099379692,C7H14O2,CCCC(C)OC(C)=O,"InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3",GQKZRWSUJHVIPE,UHFFFAOYSA,N,(±)-2-Pentanol acetate,GQKZRWSUJHVIPE-UHFFFAOYSA-N
HMDB31601,84.057514878,C5H8O,CC\C=C/C=O,"InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3-",DTCCTIQRPGSLPT,ARJAWSKDSA,N,2-Pentenal,DTCCTIQRPGSLPT-ARJAWSKDSA-N
HMDB31602,100.0524295,C5H8O2,OC(=O)CCC=C,"InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)",HVAMZGADVCBITI,UHFFFAOYSA,N,4-Pentenoic acid,HVAMZGADVCBITI-UHFFFAOYSA-N
HMDB31603,128.083729628,C7H12O2,CCOC(=O)CCC=C,"InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3",PTVSRINJXWDIKP,UHFFFAOYSA,N,Ethyl 4-pentenoate,PTVSRINJXWDIKP-UHFFFAOYSA-N
HMDB31604,86.073164942,C5H10O,CC\C=C/CO,"InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-",BTSIZIIPFNVMHF,ARJAWSKDSA,N,(E)-2-Penten-1-ol,BTSIZIIPFNVMHF-ARJAWSKDSA-N
HMDB31605,86.073164942,C5H10O,CCC(O)C=C,"InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3",VHVMXWZXFBOANQ,UHFFFAOYSA,N,1-Penten-3-ol,VHVMXWZXFBOANQ-UHFFFAOYSA-N
HMDB31606,84.057514878,C5H8O,CC(=O)CC=C,"InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",PNJWIWWMYCMZRO,UHFFFAOYSA,N,4-Penten-2-one,PNJWIWWMYCMZRO-UHFFFAOYSA-N
HMDB31607,84.057514878,C5H8O,CCC(=O)C=C,"InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3",JLIDVCMBCGBIEY,UHFFFAOYSA,N,1-Penten-3-one,JLIDVCMBCGBIEY-UHFFFAOYSA-N
HMDB31608,76.016043994,C2H4O3,CC(=O)OO,"InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3",KFSLWBXXFJQRDL,UHFFFAOYSA,N,Peracetic acid,KFSLWBXXFJQRDL-UHFFFAOYSA-N
HMDB31609,152.047344122,C8H8O3,OC(=O)COC1=CC=CC=C1,"InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",LCPDWSOZIOUXRV,UHFFFAOYSA,N,Phenoxyacetic acid,LCPDWSOZIOUXRV-UHFFFAOYSA-N
HMDB31610,192.07864425,C11H12O3,C=CCOC(=O)COC1=CC=CC=C1,"InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2",VUFZVGQUAVDKMC,UHFFFAOYSA,N,Allyl phenoxyacetate,VUFZVGQUAVDKMC-UHFFFAOYSA-N
HMDB31611,935.245727432,C42H47O24,OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)OC2OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C42H46O24/c43-12-26-30(51)33(54)36(57)40(63-26)61-24-10-17(45)9-23-18(24)11-25(38(60-23)16-3-5-20(47)22(49)8-16)62-42-39(66-41-37(58)34(55)31(52)27(13-44)64-41)35(56)32(53)28(65-42)14-59-29(50)6-2-15-1-4-19(46)21(48)7-15/h1-11,26-28,30-37,39-44,51-58H,12-14H2,(H4-,45,46,47,48,49,50)/p+1",OUIUOTNTXCBQGM,UHFFFAOYSA,O,"Cyanidin 3-O-[b-D-Glucopyranosyl-(1->2)-[3,4-dihydroxy-E-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-glucoside",OUIUOTNTXCBQGM-UHFFFAOYSA-O
HMDB31612,270.089208936,C16H14O4,COC1=C(O)C=C2C=CC3=CC(O)=CC(OC)=C3C2=C1,"InChI=1S/C16H14O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h3-8,17-18H,1-2H3",YKFWCNBTQYCJQV,UHFFFAOYSA,N,"3,5-Dimethoxy-2,7-phenanthrenediol",YKFWCNBTQYCJQV-UHFFFAOYSA-N
HMDB31613,150.10446507,C10H14O,CC(O)CCC1=CC=CC=C1,"InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3",GDWRKZLROIFUML,UHFFFAOYSA,N,4-Phenyl-2-butanol,GDWRKZLROIFUML-UHFFFAOYSA-N
HMDB31614,192.115029756,C12H16O2,CC(CCC1=CC=CC=C1)OC(C)=O,"InChI=1S/C12H16O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3",IVEWTAOGAGBQGG,UHFFFAOYSA,N,4-Phenyl-2-butyl acetate,IVEWTAOGAGBQGG-UHFFFAOYSA-N
HMDB31615,752.389398743,C36H72O4S2Sn,CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1S/2C10H20O2S.2C8H17.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-5-7-8-6-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2",VXGIVDFKZKMKQO,UHFFFAOYSA,L,Dioctyltin isooctylthioglycolate,VXGIVDFKZKMKQO-UHFFFAOYSA-L
HMDB31616,148.088815006,C10H12O,CC(O)\C=C/C1=CC=CC=C1,"InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7-",ZIJWGEHOVHJHKB,FPLPWBNLSA,N,4-Phenyl-3-buten-2-ol,ZIJWGEHOVHJHKB-FPLPWBNLSA-N
HMDB31617,146.073164942,C10H10O,CC(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+",BWHOZHOGCMHOBV,BQYQJAHWSA,N,Benzylideneacetone,BWHOZHOGCMHOBV-BQYQJAHWSA-N
HMDB31618,192.115029756,C12H16O2,CCOC(=O)CCCC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3",GGFNXKFGVQQNRV,UHFFFAOYSA,N,Ethyl 4-phenylbutanoate,GGFNXKFGVQQNRV-UHFFFAOYSA-N
HMDB31619,146.073164942,C10H10O,C\C=C(\C=O)C1=CC=CC=C1,"InChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3/b9-2-",DYAOGZLLMZQVHY,MBXJOHMKSA,N,2-Phenyl-2-butenal,DYAOGZLLMZQVHY-MBXJOHMKSA-N
HMDB31620,286.084123558,C16H14O5,COC1=CC(O)=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3",WQCJOKYOIJVEFN,UHFFFAOYSA,N,Vestitone,WQCJOKYOIJVEFN-UHFFFAOYSA-N
HMDB31621,172.088815006,C12H12O,CC(=O)\C=C\C=C\C1=CC=CC=C1,"InChI=1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10H,1H3/b7-5+,10-6+",PRNUCJKOERXADE,YLNKAEQOSA,N,Cinnamylideneacetone,PRNUCJKOERXADE-YLNKAEQOSA-N
HMDB31622,174.10446507,C12H14O,CC(=O)\C=C\CCC1=CC=CC=C1,"InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-5,7-9H,6,10H2,1H3/b7-5+",PHEPHOADHFLZJS,FNORWQNLSA,N,6-Phenyl-3-hexen-2-one,PHEPHOADHFLZJS-FNORWQNLSA-N
HMDB31623,192.07864425,C11H12O3,CCOC(=O)C1OC1C1=CC=CC=C1,"InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3",GOMAKLPNAAZVCJ,UHFFFAOYSA,N,Ethyl phenylglycidate,GOMAKLPNAAZVCJ-UHFFFAOYSA-N
HMDB31624,164.120115134,C11H16O,OCCCCCC1=CC=CC=C1,"InChI=1S/C11H16O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2",DPZMVZIQRMVBBW,UHFFFAOYSA,N,5-Phenyl-1-pentanol,DPZMVZIQRMVBBW-UHFFFAOYSA-N
HMDB31625,164.120115134,C11H16O,CCCC(O)CC1=CC=CC=C1,"InChI=1S/C11H16O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3",FCURFTSXOIATDW,UHFFFAOYSA,N,1-Phenyl-2-pentanol,FCURFTSXOIATDW-UHFFFAOYSA-N
HMDB31626,134.073164942,C9H10O,CC(C=O)C1=CC=CC=C1,"InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3",IQVAERDLDAZARL,UHFFFAOYSA,N,2-Phenylpropanal,IQVAERDLDAZARL-UHFFFAOYSA-N
HMDB31627,136.088815006,C9H12O,CCC(O)C1=CC=CC=C1,"InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3",DYUQAZSOFZSPHD,UHFFFAOYSA,N,1-Phenyl-1-propanol,DYUQAZSOFZSPHD-UHFFFAOYSA-N
HMDB31628,136.088815006,C9H12O,CC(CO)C1=CC=CC=C1,"InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",RNDNSYIPLPAXAZ,UHFFFAOYSA,N,2-Phenyl-1-propanol,RNDNSYIPLPAXAZ-UHFFFAOYSA-N
HMDB31630,44.062600256,C3H8,CCC,"InChI=1S/C3H8/c1-3-2/h3H2,1-2H3",ATUOYWHBWRKTHZ,UHFFFAOYSA,N,Propane,ATUOYWHBWRKTHZ-UHFFFAOYSA-N
HMDB31631,108.006741636,C3H8S2,CC(S)CS,"InChI=1S/C3H8S2/c1-3(5)2-4/h3-5H,2H2,1H3",YGKHJWTVMIMEPQ,UHFFFAOYSA,N,"1,2-Propanedithiol",YGKHJWTVMIMEPQ-UHFFFAOYSA-N
HMDB31632,108.006741636,C3H8S2,SCCCS,"InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2",ZJLMKPKYJBQJNH,UHFFFAOYSA,N,"1,3-Propanedithiol",ZJLMKPKYJBQJNH-UHFFFAOYSA-N
HMDB31633,338.151809192,C21H22O4,COC1=CC2=C(C=C1CC=C(C)C)C1OC3=C(C=CC(O)=C3)C1CO2,"InChI=1S/C21H22O4/c1-12(2)4-5-13-8-16-19(10-18(13)23-3)24-11-17-15-7-6-14(22)9-20(15)25-21(16)17/h4,6-10,17,21-22H,5,11H2,1-3H3",FZFGGNNUYSILSL,UHFFFAOYSA,N,Orientanol B,FZFGGNNUYSILSL-UHFFFAOYSA-N
HMDB31634,76.034670946,C3H8S,CC(C)S,"InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3",KJRCEJOSASVSRA,UHFFFAOYSA,N,2-Propanethiol,KJRCEJOSASVSRA-UHFFFAOYSA-N
HMDB31635,74.019020882,C3H6S,SCC=C,"InChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2",ULIKDJVNUXNQHS,UHFFFAOYSA,N,2-Propene-1-thiol,ULIKDJVNUXNQHS-UHFFFAOYSA-N
HMDB31636,90.013935504,C3H6OS,C\C=C\SO,"InChI=1S/C3H6OS/c1-2-3-5-4/h2-4H,1H3/b3-2+",MJPOWQTYEJVYKF,NSCUHMNNSA,N,(E)-1-Propene-1-sulfenic acid,MJPOWQTYEJVYKF-NSCUHMNNSA-N
HMDB31638,144.115029756,C8H16O2,CCCCCOC(=O)CC,"InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3",TWSRVQVEYJNFKQ,UHFFFAOYSA,N,Pentyl propanoate,TWSRVQVEYJNFKQ-UHFFFAOYSA-N
HMDB31639,148.073558872,C6H12O4,CCC(=O)OCC(O)CO,"InChI=1S/C6H12O4/c1-2-6(9)10-4-5(8)3-7/h5,7-8H,2-4H2,1H3",AALUCPRYHRPMAG,UHFFFAOYSA,N,Glycerol 1-propanoate,AALUCPRYHRPMAG-UHFFFAOYSA-N
HMDB31640,232.094688244,C10H16O6,CCC(=O)OCC(COC(C)=O)OC(C)=O,"InChI=1S/C10H16O6/c1-4-10(13)15-6-9(16-8(3)12)5-14-7(2)11/h9H,4-6H2,1-3H3",LVONJPHZHFUJEU,UHFFFAOYSA,N,Glycerol 1-propanoate diacetate,LVONJPHZHFUJEU-UHFFFAOYSA-N
HMDB31641,71.073499293,C4H9N,C1CCNC1,"InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2",RWRDLPDLKQPQOW,UHFFFAOYSA,N,Pyrrolidine,RWRDLPDLKQPQOW-UHFFFAOYSA-N
HMDB31642,100.063662888,C4H8N2O,O=NN1CCCC1,InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2,WNYADZVDBIBLJJ,UHFFFAOYSA,N,N-Nitroso-pyrrolidine,WNYADZVDBIBLJJ-UHFFFAOYSA-N
HMDB31643,116.047344122,C5H8O3,CCOC(=O)C(O)=C,"InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h6H,2-3H2,1H3",PSYUBHDPOIZRST,UHFFFAOYSA,N,Ethyl pyruvate,PSYUBHDPOIZRST-UHFFFAOYSA-N
HMDB31644,118.099379692,C6H14O2,CCOC(C)OCC,"InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3",DHKHKXVYLBGOIT,UHFFFAOYSA,N,"1,1-Diethoxyethane",DHKHKXVYLBGOIT-UHFFFAOYSA-N
HMDB31645,59.037113787,C2H5NO,CC(N)=O,"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",DLFVBJFMPXGRIB,UHFFFAOYSA,N,Acetamide,DLFVBJFMPXGRIB-UHFFFAOYSA-N
HMDB31646,102.031694058,C4H6O3,CC(=O)OC(C)=O,InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3,WFDIJRYMOXRFFG,UHFFFAOYSA,N,Acetic anhydride,WFDIJRYMOXRFFG-UHFFFAOYSA-N
HMDB31647,72.021129372,C3H4O2,OC(=O)C=C,"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)",NIXOWILDQLNWCW,UHFFFAOYSA,N,Acrylic acid,NIXOWILDQLNWCW-UHFFFAOYSA-N
HMDB31648,100.0524295,C5H8O2,CC(=O)CC(C)=O,"InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3",YRKCREAYFQTBPV,UHFFFAOYSA,N,"2,4-Pentanedione",YRKCREAYFQTBPV-UHFFFAOYSA-N
HMDB31651,115.099714043,C6H13NO,CCCCNC(C)=O,"InChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)",GYLDXXLJMRTVSS,UHFFFAOYSA,N,N-(3-Methylbutyl)acetamide,GYLDXXLJMRTVSS-UHFFFAOYSA-N
HMDB31652,58.041864814,C3H6O,OCC=C,"InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2",XXROGKLTLUQVRX,UHFFFAOYSA,N,Allyl alcohol,XXROGKLTLUQVRX-UHFFFAOYSA-N
HMDB31653,88.034670946,C4H8S,CSCC=C,"InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3",NVLPQIPTCCLBEU,UHFFFAOYSA,N,3-(Methylthio)-1-propene,NVLPQIPTCCLBEU-UHFFFAOYSA-N
HMDB31654,103.063328537,C4H9NO2,CC(N)CC(O)=O,"InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)",OQEBBZSWEGYTPG,UHFFFAOYSA,N,3-Aminobutanoic acid,OQEBBZSWEGYTPG-UHFFFAOYSA-N
HMDB31655,640.163949598,C28H32O17,COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(OC2=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C28H32O17/c1-40-10-5-13(33)17-14(6-10)41-24(9-2-3-11(31)12(32)4-9)26(20(17)36)45-28-23(39)25(19(35)16(8-30)43-28)44-27-22(38)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,25,27-35,37-39H,7-8H2,1H3",QAKZPBCOTDXPHA,UHFFFAOYSA,N,Rhamnetin 3-laminaribioside,QAKZPBCOTDXPHA-UHFFFAOYSA-N
HMDB31656,536.116605476,C24H24O14,COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=C(OC)C(=O)C2=C(O1)C=C(O)C(OC)=C2O,"InChI=1S/C24H24O14/c1-33-11-6-8(4-5-10(11)37-24-18(30)16(28)17(29)22(38-24)23(31)32)19-21(35-3)15(27)13-12(36-19)7-9(25)20(34-2)14(13)26/h4-7,16-18,22,24-26,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,22-,24+/m0/s1",IXUDTZUOBGRRSD,NKUGBYDDSA,N,Jaceidin 4'-glucuronide,IXUDTZUOBGRRSD-NKUGBYDDSA-N
HMDB31657,302.07903818,C16H14O6,COC1=CC(O)=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C16H14O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3",CBEPNYOFLRIAGR,UHFFFAOYSA,N,Ferreirin,CBEPNYOFLRIAGR-UHFFFAOYSA-N
HMDB31658,133.073893223,C5H11NO3,NC(CCCO)C(O)=O,"InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)",CZWARROQQFCFJB,UHFFFAOYSA,N,L-2-Amino-5-hydroxypentanoic acid,CZWARROQQFCFJB-UHFFFAOYSA-N
HMDB31659,87.104799421,C5H13N,CC(C)CCN,"InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3",BMFVGAAISNGQNM,UHFFFAOYSA,N,3-Methyl-1-butylamine,BMFVGAAISNGQNM-UHFFFAOYSA-N
HMDB31660,146.112921266,C8H18S,CCCCSCCCC,"InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",HTIRHQRTDBPHNZ,UHFFFAOYSA,N,Dibutyl sulfide,HTIRHQRTDBPHNZ-UHFFFAOYSA-N
HMDB31661,204.115029756,C13H16O2,CC(C)C\C=C1/OC(=O)C2=CC=CCC12,"InChI=1S/C13H16O2/c1-9(2)7-8-12-10-5-3-4-6-11(10)13(14)15-12/h3-4,6,8-10H,5,7H2,1-2H3/b12-8-",XUAVGKDSFAWBLN,WQLSENKSSA,N,"3-Isovalidene-3alpha,4-dihydrophthalide",XUAVGKDSFAWBLN-WQLSENKSSA-N
HMDB31663,202.099379692,C13H14O2,CC(C)C\C=C1/OC(=O)C2=CC=CC=C12,"InChI=1S/C13H14O2/c1-9(2)7-8-12-10-5-3-4-6-11(10)13(14)15-12/h3-6,8-9H,7H2,1-2H3/b12-8-",LLCYNDRFWDIIQS,WQLSENKSSA,N,3-(3-Methylbutylidene)-1(3H)-isobenzofuranone,LLCYNDRFWDIIQS-WQLSENKSSA-N
HMDB31664,262.135765198,C19H18O,O=C(CCC1=CC=CC=C1)\C=C/C=C/C1=CC=CC=C1,"InChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8-",OWMJDOUOHDOUFG,GUZOQHLSSA,N,Alnustone,OWMJDOUOHDOUFG-GUZOQHLSSA-N
HMDB31665,204.02700261,C7H8O7,OC1C=C(OC(C1O)C(O)=O)C(O)=O,"InChI=1S/C7H8O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1-2,4-5,8-9H,(H,10,11)(H,12,13)",KUKCUROTFRBUNU,UHFFFAOYSA,N,Daucic acid,KUKCUROTFRBUNU-UHFFFAOYSA-N
HMDB31666,90.05032101,C4H10S,CCSCC,"InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3",LJSQFQKUNVCTIA,UHFFFAOYSA,N,Diethyl sulfide,LJSQFQKUNVCTIA-UHFFFAOYSA-N
HMDB31667,127.099714043,C7H13NO,OC1CC2CCC(C1)N2,"InChI=1S/C7H13NO/c9-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2",YYMCYJLIYNNOMK,UHFFFAOYSA,N,Nor-psi-tropine,YYMCYJLIYNNOMK-UHFFFAOYSA-N
HMDB31668,222.089208936,C12H14O4,CC1=CC2=C(C)C(=O)C(C)(O)C(O)C2=CO1,"InChI=1S/C12H14O4/c1-6-4-8-7(2)10(13)12(3,15)11(14)9(8)5-16-6/h4-5,11,14-15H,1-3H3",JVUYBLROBHJEJN,UHFFFAOYSA,N,Dihydrodeoxy-8-epiaustdiol,JVUYBLROBHJEJN-UHFFFAOYSA-N
HMDB31669,346.910810055,C10H9Cl4NO2S,ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O,"InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2",JHRWWRDRBPCWTF,UHFFFAOYSA,N,Captafol,JHRWWRDRBPCWTF-UHFFFAOYSA-N
HMDB31670,158.069142196,C6H10N2O3,CC1(C)N(CO)C(=O)NC1=O,"InChI=1S/C6H10N2O3/c1-6(2)4(10)7-5(11)8(6)3-9/h9H,3H2,1-2H3,(H,7,10,11)",SIQZJFKTROUNPI,UHFFFAOYSA,N,"1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione",SIQZJFKTROUNPI-UHFFFAOYSA-N
HMDB31671,180.010112454,C6H12S3,CC1SC(C)SC(C)S1,"InChI=1S/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3",XQVYLDFSPBXACS,UHFFFAOYSA,N,"2,4,6-Trimethyl-1,3,5-trithiane",XQVYLDFSPBXACS-UHFFFAOYSA-N
HMDB31672,398.20932407,C24H30O5,COC1=CC(O)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4CC(C=O)=C23)C(C)=C1,"InChI=1S/C24H30O5/c1-13-6-16(28-5)8-18(26)20(13)22(27)29-19-11-24(4)17-10-23(2,3)9-14(17)7-15(12-25)21(19)24/h6,8,12,14,17,19,26H,7,9-11H2,1-5H3",HWLRIFRIRNSGBG,UHFFFAOYSA,N,Armillaribin,HWLRIFRIRNSGBG-UHFFFAOYSA-N
HMDB31673,430.199153314,C24H30O7,COC1=CC(O)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4(O)C=C(C=O)C23O)C(C)=C1,"InChI=1S/C24H30O7/c1-13-6-15(30-5)7-16(26)19(13)20(27)31-18-10-22(4)17-9-21(2,3)12-23(17,28)8-14(11-25)24(18,22)29/h6-8,11,17-18,26,28-29H,9-10,12H2,1-5H3",JGQMXVRWAOSIBE,UHFFFAOYSA,N,Armillarilin,JGQMXVRWAOSIBE-UHFFFAOYSA-N
HMDB31674,464.160180989,C24H29ClO7,COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4(O)C=C(C=O)C23O)C(O)=C1,"InChI=1S/C24H29ClO7/c1-12-18(14(27)6-15(31-5)19(12)25)20(28)32-17-9-22(4)16-8-21(2,3)11-23(16,29)7-13(10-26)24(17,22)30/h6-7,10,16-17,27,29-30H,8-9,11H2,1-5H3",XOGUZUVXPLTDMB,UHFFFAOYSA,N,Armillarinin,XOGUZUVXPLTDMB-UHFFFAOYSA-N
HMDB31675,542.397124838,C34H54O5,COC1C=C2C3C(C)C(C)CCC3(CCC2(C)C2(C)CCC3C(C)(C)C(CCC3(C)C12)OC(C)=O)C(=O)OC,"InChI=1S/C34H54O5/c1-20-11-16-34(29(36)38-10)18-17-32(7)23(27(34)21(20)2)19-24(37-9)28-31(6)14-13-26(39-22(3)35)30(4,5)25(31)12-15-33(28,32)8/h19-21,24-28H,11-18H2,1-10H3",URPWCDDDSKJTOF,UHFFFAOYSA,N,3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid,URPWCDDDSKJTOF-UHFFFAOYSA-N
HMDB31676,388.209718,C19H32O8,CC(O)\C=C\C12OC1(C)CC(CC2(C)C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H32O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+",SMBCGBWABYMHIN,AATRIKPKSA,N,"5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside",SMBCGBWABYMHIN-AATRIKPKSA-N
HMDB31677,374.318480588,C25H42O2,CCCC\C=C\CCCCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h5-6,20-22,26-27H,2-4,7-19H2,1H3/b6-5+",KEAYVGHLOUCYNN,AATRIKPKSA,N,"5-(14-Nonadecenyl)-1,3-benzenediol",KEAYVGHLOUCYNN-AATRIKPKSA-N
HMDB31678,335.318814939,C22H41NO,CCCCCCCCCCCCC\C=C/C=C/C(=O)NCC(C)C,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16-,19-18+",QQCGKIZHTJLRNN,JUJVUSMPSA,N,Pipericine,QQCGKIZHTJLRNN-JUJVUSMPSA-N
HMDB31679,314.245709576,C18H34O4,CCCCC\C=C\CC(O)C(O)CCCCCCCC(O)=O,"InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7+",XEBKSQSGNGRGDW,JXMROGBWSA,N,"(9xi,10xi,12xi)-9,10-Dihydroxy-12-octadecenoic acid",XEBKSQSGNGRGDW-JXMROGBWSA-N
HMDB31680,730.559498716,C41H78O10,CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H78O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-42,45-47H,3-33H2,1-2H3",DFUALJIUMYYHRG,UHFFFAOYSA,N,"1-O-beta-D-Glucopyranosyl-2,3-di-O-palmitoylglycerol",DFUALJIUMYYHRG-UHFFFAOYSA-N
HMDB31681,128.083729628,C7H12O2,CCCC1CCC(=O)O1,"InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3",VLSVVMPLPMNWBH,UHFFFAOYSA,N,Dihydro-5-propyl-2(3H)-furanone,VLSVVMPLPMNWBH-UHFFFAOYSA-N
HMDB31682,103.045569983,C4H9NS,CC1NCCS1,"InChI=1S/C4H9NS/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3",DQMLFUMEBNHPPB,UHFFFAOYSA,N,(±)-2-Methylthiazolidine,DQMLFUMEBNHPPB-UHFFFAOYSA-N
HMDB31683,198.161979948,C12H22O2,CCCCCCCCC1CCC(=O)O1,"InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3",WGPCZPLRVAWXPW,UHFFFAOYSA,N,xi-Dihydro-5-octyl-2(3H)-furanone,WGPCZPLRVAWXPW-UHFFFAOYSA-N
HMDB31684,142.135765198,C9H18O,CCCCCCC(C)C=O,"InChI=1S/C9H18O/c1-3-4-5-6-7-9(2)8-10/h8-9H,3-7H2,1-2H3",ZKPFRIDJMMOODR,UHFFFAOYSA,N,2-Methyloctanal,ZKPFRIDJMMOODR-UHFFFAOYSA-N
HMDB31685,138.10446507,C9H14O,CCCC\C=C\C=C/C=O,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7-",ZHHYXNZJDGDGPJ,MDAAKZFYSA,N,"2,4-Nonadienal",ZHHYXNZJDGDGPJ-MDAAKZFYSA-N
HMDB31686,124.088815006,C8H12O,CCC\C=C\C=C\C=O,"InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+",DVVATNQISMINCX,YTXTXJHMSA,N,"(E,E)-2,4-Octadienal",DVVATNQISMINCX-YTXTXJHMSA-N
HMDB31687,738.458798394,C37H70O12S,CCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(O)(=O)=O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H70O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(38)46-27-30(48-33(39)26-24-22-20-18-16-14-12-10-8-6-4-2)28-47-37-36(42)35(41)34(40)31(49-37)29-50(43,44)45/h30-31,34-37,40-42H,3-29H2,1-2H3,(H,43,44,45)",QYYCNBNXSCGWDD,UHFFFAOYSA,N,"1,2-Di-O-myristoyl-3-O-(6-sulfoquinovopyranosyl)glycerol",QYYCNBNXSCGWDD-UHFFFAOYSA-N
HMDB31688,264.1572885,C12H24O6,CCCCCCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3",JVAZJLFFSJARQM,UHFFFAOYSA,N,Hexyl glucoside,JVAZJLFFSJARQM-UHFFFAOYSA-N
HMDB31689,396.199547244,C17H32O10,CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C17H32O10/c1-2-3-4-5-6-24-16-15(23)13(21)12(20)10(27-16)8-25-17-14(22)11(19)9(7-18)26-17/h9-23H,2-8H2,1H3",LOVPBJMHVBJKQS,UHFFFAOYSA,N,1-Hexanol arabinosylglucoside,LOVPBJMHVBJKQS-UHFFFAOYSA-N
HMDB31690,394.18389718,C17H30O10,CC\C=C/CCOC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-",NVTNXPADRDASMP,ARJAWSKDSA,N,cis-3-Hexenyl b-primeveroside,NVTNXPADRDASMP-ARJAWSKDSA-N
HMDB31691,184.146329884,C11H20O2,CCCCC(=O)OCC\C=C/CC,"InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-",XPFTVTFOOTVHIA,ALCCZGGFSA,N,cis-3-Hexenyl pentanoate,XPFTVTFOOTVHIA-ALCCZGGFSA-N
HMDB31692,196.146329884,C12H20O2,CC\C=C/CCOC(=O)CC\C=C\C,"InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h4-7H,3,8-11H2,1-2H3/b6-4+,7-5-",WGKGNHCLNHFGQO,GUBXDBFYSA,N,cis-3-Hexenyl trans-4-hexenoate,WGKGNHCLNHFGQO-GUBXDBFYSA-N
HMDB31693,294.13146768,C12H22O8,CCOC(=O)CC(C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C12H22O8/c1-3-18-8(14)4-6(2)19-12-11(17)10(16)9(15)7(5-13)20-12/h6-7,9-13,15-17H,3-5H2,1-2H3",HEBPYQNXDMDRKR,UHFFFAOYSA,N,Ethyl (S)-3-hydroxybutyrate glucoside,HEBPYQNXDMDRKR-UHFFFAOYSA-N
HMDB31694,322.162767808,C14H26O8,CCCCOC(=O)CC(C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C14H26O8/c1-3-4-5-20-10(16)6-8(2)21-14-13(19)12(18)11(17)9(7-15)22-14/h8-9,11-15,17-19H,3-7H2,1-2H3",YUPCLHHTUNDMAN,UHFFFAOYSA,N,Butyl (S)-3-hydroxybutyrate glucoside,YUPCLHHTUNDMAN-UHFFFAOYSA-N
HMDB31695,356.147117744,C17H24O8,OCC1OC(OC(CCC2=CC=CC=C2)CC(O)=O)C(O)C(O)C1O,"InChI=1S/C17H24O8/c18-9-12-14(21)15(22)16(23)17(25-12)24-11(8-13(19)20)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-18,21-23H,6-9H2,(H,19,20)",HRYIDVZLDQBLFF,UHFFFAOYSA,N,xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside,HRYIDVZLDQBLFF-UHFFFAOYSA-N
HMDB31696,246.146723814,C12H22O5,CCCCOC(=O)CC(O)C(=O)OCCCC,"InChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3",PDSCSYLDRHAHOX,UHFFFAOYSA,N,Dibutyl malate,PDSCSYLDRHAHOX-UHFFFAOYSA-N
HMDB31697,445.158410711,C19H27NO11,OC1COC(OCC2OC(OC(C(O)=N)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C19H27NO11/c20-17(27)16(8-4-2-1-3-5-8)31-19-15(26)13(24)12(23)10(30-19)7-29-18-14(25)11(22)9(21)6-28-18/h1-5,9-16,18-19,21-26H,6-7H2,(H2,20,27)",YEFUVRSZAHTXCA,UHFFFAOYSA,N,Lucuminamide,YEFUVRSZAHTXCA-UHFFFAOYSA-N
HMDB31698,144.060885696,C7H12OS,CC(C)=CCSC(C)=O,"InChI=1S/C7H12OS/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3",HYSBJYIGYSBFQN,UHFFFAOYSA,N,S-(3-Methyl-2-butenyl) ethanethioate,HYSBJYIGYSBFQN-UHFFFAOYSA-N
HMDB31699,172.092185824,C9H16OS,CC(C)C(=O)SCC=C(C)C,"InChI=1S/C9H16OS/c1-7(2)5-6-11-9(10)8(3)4/h5,8H,6H2,1-4H3",GZNOAIURTRJISH,UHFFFAOYSA,N,S-(3-Methyl-2-butenyl) 2-methylpropanethioate,GZNOAIURTRJISH-UHFFFAOYSA-N
HMDB31700,187.048072403,C7H9NO5,OC(=O)CC(=O)NC1(CC1)C(O)=O,"InChI=1S/C7H9NO5/c9-4(3-5(10)11)8-7(1-2-7)6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)",QXOQNNAWFUXKMH,UHFFFAOYSA,N,1-(Malonylamino)cyclopropanecarboxylic acid,QXOQNNAWFUXKMH-UHFFFAOYSA-N
HMDB31701,230.090271568,C9H14N2O5,NC(CCC(=O)NC1(CC1)C(O)=O)C(O)=O,"InChI=1S/C9H14N2O5/c10-5(7(13)14)1-2-6(12)11-9(3-4-9)8(15)16/h5H,1-4,10H2,(H,11,12)(H,13,14)(H,15,16)",FQRKFJSYMKRNGO,UHFFFAOYSA,N,1-(gamma-Glutamylamino)cyclopropanecarboxylic acid,FQRKFJSYMKRNGO-UHFFFAOYSA-N
HMDB31702,113.084063979,C6H11NO,O=CN1CCCCC1,"InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2",FEWLNYSYJNLUOO,UHFFFAOYSA,N,1-Piperidinecarboxaldehyde,FEWLNYSYJNLUOO-UHFFFAOYSA-N
HMDB31703,144.115029756,C8H16O2,CCC(CC)COC(C)=O,"InChI=1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3",HQLKZWRSOHTERR,UHFFFAOYSA,N,2-Ethylbutyl acetate,HQLKZWRSOHTERR-UHFFFAOYSA-N
HMDB31704,212.068473494,C10H12O5,COC1=CC(=CC(OC)=C1O)C(=O)CO,"InChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3",ZTBAPEIDNUHRNC,UHFFFAOYSA,N,Danielone,ZTBAPEIDNUHRNC-UHFFFAOYSA-N
HMDB31705,300.099773622,C17H16O5,COC1=C(OC)C(O)=C(C=C1)C(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C17H16O5/c1-21-15-10-8-13(16(20)17(15)22-2)14(19)9-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b9-5+",RURQJVCNVGERHF,WEVVVXLNSA,N,Heliannone A,RURQJVCNVGERHF-WEVVVXLNSA-N
HMDB31706,330.073952802,C17H14O7,OC1=C(O)C=C(\C=C\C(=O)OCC(=O)C2=CC(O)=C(O)C=C2)C=C1,"InChI=1S/C17H14O7/c18-12-4-1-10(7-14(12)20)2-6-17(23)24-9-16(22)11-3-5-13(19)15(21)8-11/h1-8,18-21H,9H2/b6-2+",DPMVCMFEBYVTFB,QHHAFSJGSA,N,"3,4-Dihydroxyphenacyl caffeate",DPMVCMFEBYVTFB-QHHAFSJGSA-N
HMDB31707,93.991091572,C2H6S2,SCCS,"InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2",VYMPLPIFKRHAAC,UHFFFAOYSA,N,"1,2-Ethanedithiol",VYMPLPIFKRHAAC-UHFFFAOYSA-N
HMDB31708,122.0223917,C4H10S2,CSCCSC,"InChI=1S/C4H10S2/c1-5-3-4-6-2/h3-4H2,1-2H3",UJTDKNZVLGVLFT,UHFFFAOYSA,N,"1,2-Bis(methylthio)ethane",UJTDKNZVLGVLFT-UHFFFAOYSA-N
HMDB31709,150.053691828,C6H14S2,SCCCCCCS,"InChI=1S/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2",SRZXCOWFGPICGA,UHFFFAOYSA,N,"1,6-Hexanedithiol",SRZXCOWFGPICGA-UHFFFAOYSA-N
HMDB31710,192.10064202,C9H20S2,SCCCCCCCCCS,"InChI=1S/C9H20S2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2",GJRCLMJHPWCJEI,UHFFFAOYSA,N,"1,9-Nonanedithiol",GJRCLMJHPWCJEI-UHFFFAOYSA-N
HMDB31711,254.224580204,C16H30O2,CC1CCCCCCCCCCCCCC(=O)O1,"InChI=1S/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h15H,2-14H2,1H3",GILZFLFJYUGJLX,UHFFFAOYSA,N,15-Hexadecanolide,GILZFLFJYUGJLX-UHFFFAOYSA-N
HMDB31712,176.068473494,C7H12O5,CC(=O)OCC(CO)OC(C)=O,"InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3",UXDDRFCJKNROTO,UHFFFAOYSA,N,"(±)-Glycerol 1,2-diacetate",UXDDRFCJKNROTO-UHFFFAOYSA-N
HMDB31713,123.032028409,C6H5NO2,OC1=CC(=N)C=CC1=O,"InChI=1S/C6H5NO2/c7-4-1-2-5(8)6(9)3-4/h1-3,7,9H",FYWMPJHTFWPBOS,UHFFFAOYSA,N,"2-Hydroxy-4-imino-2,5-cyclohexadienone",FYWMPJHTFWPBOS-UHFFFAOYSA-N
HMDB31714,178.04860645,C7H14OS2,CCC(C)C(=O)SCSC,"InChI=1S/C7H14OS2/c1-4-6(2)7(8)10-5-9-3/h6H,4-5H2,1-3H3",AYTNIMHIGAUCEN,UHFFFAOYSA,N,Methylthiomethyl 2-methylbutanethiolate,AYTNIMHIGAUCEN-UHFFFAOYSA-N
HMDB31715,270.05282343,C15H10O5,OC1=CC=C(C=C1)C1=COC2=CC(O)=C(O)C=C2C1=O,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H",GYLUFQJZYAJQDI,UHFFFAOYSA,N,6-Hydroxydaidzein,GYLUFQJZYAJQDI-UHFFFAOYSA-N
HMDB31716,106.045235632,C4H10OS,CSCCCO,"InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3",CZUGFKJYCPYHHV,UHFFFAOYSA,N,3-(Methylthio)-1-propanol,CZUGFKJYCPYHHV-UHFFFAOYSA-N
HMDB31717,148.055800318,C6H12O2S,CSCCCOC(C)=O,"InChI=1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3",LPZQTNIAYMRVMF,UHFFFAOYSA,N,3-(Methylthio)propyl acetate,LPZQTNIAYMRVMF-UHFFFAOYSA-N
HMDB31718,90.013935504,C3H6OS,CSCC=O,"InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3",NCNSBFDGXBKAKB,UHFFFAOYSA,N,(Methylthio)acetaldehyde,NCNSBFDGXBKAKB-UHFFFAOYSA-N
HMDB31719,169.935232952,C3H6S4,C1SCSSCS1,InChI=1S/C3H6S4/c1-4-2-6-7-3-5-1/h1-3H2,LCABDMYFXTZXMI,UHFFFAOYSA,N,"1,2,4,6-Tetrathiepane",LCABDMYFXTZXMI-UHFFFAOYSA-N
HMDB31720,284.068473494,C16H12O5,COC1=CC(O)=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3",XKHHKXCBFHUOHM,UHFFFAOYSA,N,Xenognosin B,XKHHKXCBFHUOHM-UHFFFAOYSA-N
HMDB31721,332.110732238,C14H20O9,COC1=CC(O)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3",NOQYJICHFNSIFZ,UHFFFAOYSA,N,Leonuriside A,NOQYJICHFNSIFZ-UHFFFAOYSA-N
HMDB31722,226.084123558,C11H14O5,COC1=CC(OC(C)=O)=CC(OC)=C1OC,"InChI=1S/C11H14O5/c1-7(12)16-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3",ASPRESJSDRJZBN,UHFFFAOYSA,N,"3,4,5-Trimethoxyphenyl acetate",ASPRESJSDRJZBN-UHFFFAOYSA-N
HMDB31723,432.142032366,C22H24O9,OCC1=CC=CC=C1OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C22H24O9/c23-11-14-3-1-2-4-16(14)30-22-21(28)20(27)19(26)17(31-22)12-29-18(25)10-7-13-5-8-15(24)9-6-13/h1-10,17,19-24,26-28H,11-12H2/b10-7+",ODOVSOIHEQVVMZ,JXMROGBWSA,N,Trichocarposide,ODOVSOIHEQVVMZ-JXMROGBWSA-N
HMDB31724,312.120902994,C15H20O7,CC1=CC=CC(C)=C1C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C15H20O7/c1-7-4-3-5-8(2)10(7)14(20)22-15-13(19)12(18)11(17)9(6-16)21-15/h3-5,9,11-13,15-19H,6H2,1-2H3",QQHRYSLWMCEKRX,UHFFFAOYSA,N,Moringyne,QQHRYSLWMCEKRX-UHFFFAOYSA-N
HMDB31725,148.0524295,C9H8O2,OC1=CC=CC=C1\C=C\C=O,"InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+",BSDNZCQPDVTDET,HWKANZROSA,N,(E)-3-(2-Hydroxyphenyl)-2-propenal,BSDNZCQPDVTDET-HWKANZROSA-N
HMDB31726,568.179205732,C26H32O14,OCC1OC(OC2=CC(O)=C(\C=C/C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O,"InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-4-3-12(16(30)8-14)2-1-11-5-13(29)7-15(6-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1-",HPSWAEGGWLOOKT,UPHRSURJSA,N,cis-Mulberroside A,HPSWAEGGWLOOKT-UPHRSURJSA-N
HMDB31727,307.962121205,C8H11Cl3O6,OCC(O)C1OC2OC(OC2C1O)C(Cl)(Cl)Cl,"InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2",OJYGBLRPYBAHRT,UHFFFAOYSA,N,Alphachloralose,OJYGBLRPYBAHRT-UHFFFAOYSA-N
HMDB31728,166.135765198,C11H18O,CCCCC\C=C1\CCCC1=O,"InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h7H,2-6,8-9H2,1H3/b10-7-",WZPGQHVPSKTELT,YFHOEESVSA,N,2-Hexylidenecyclopentanone,WZPGQHVPSKTELT-YFHOEESVSA-N
HMDB31729,206.094294314,C12H14O3,CCOC(=O)C1OC1(C)C1=CC=CC=C1,"InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3",LQKRYVGRPXFFAV,UHFFFAOYSA,N,Phenylmethylglycidic ester,LQKRYVGRPXFFAV-UHFFFAOYSA-N
HMDB31730,142.135765198,C9H18O,CC(CC=O)CC(C)(C)C,"InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3",WTPYRCJDOZVZON,UHFFFAOYSA,N,"3,5,5-Trimethylhexanal",WTPYRCJDOZVZON-UHFFFAOYSA-N
HMDB31731,178.135765198,C12H18O,CCC(C)(O)CCC1=CC=CC=C1,"InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3",AEJRTNBCFUOSEM,UHFFFAOYSA,N,3-Methyl-1-phenyl-3-pentanol,AEJRTNBCFUOSEM-UHFFFAOYSA-N
HMDB31732,144.151415262,C9H20O,CCCCCCC(O)CC,"InChI=1S/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3",GYSCXPVAKHVAAY,UHFFFAOYSA,N,3-Nonanol,GYSCXPVAKHVAAY-UHFFFAOYSA-N
HMDB31733,192.151415262,C13H20O,CC(C)=CCCC1=CCC(CC1)C=O,"InChI=1S/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3",MQBIZQLCHSZBOI,UHFFFAOYSA,N,4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde,MQBIZQLCHSZBOI-UHFFFAOYSA-N
HMDB31734,184.18271539,C12H24O,CCCCCCCCCC(C)C=O,"InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3",NFAVNWJJYQAGNB,UHFFFAOYSA,N,2-Methylundecanal,NFAVNWJJYQAGNB-UHFFFAOYSA-N
HMDB31735,140.047344122,C7H8O3,CCC1=C(O)C(=O)C=CO1,"InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3",YIKYNHJUKRTCJL,UHFFFAOYSA,N,Ethyl maltol,YIKYNHJUKRTCJL-UHFFFAOYSA-N
HMDB31736,216.151415262,C15H20O,CCCCCC\C(C=O)=C/C1=CC=CC=C1,"InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+",GUUHFMWKWLOQMM,NTCAYCPXSA,N,2-Hexyl-3-phenyl-2-propenal,GUUHFMWKWLOQMM-NTCAYCPXSA-N
HMDB31737,206.167065326,C14H22O,CC(=O)C(\C)=C\C1=C(C)CCCC1(C)C,"InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+",NSSHGPBKKVJJMM,PKNBQFBNSA,N,delta-Methylionone,NSSHGPBKKVJJMM-PKNBQFBNSA-N
HMDB31738,206.167065326,C14H22O,CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C,"InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+",JRJBVWJSTHECJK,PKNBQFBNSA,N,"3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one",JRJBVWJSTHECJK-PKNBQFBNSA-N
HMDB31739,172.146329884,C10H20O2,CC(CCCC(C)(C)O)CC=O,"InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3",WPFVBOQKRVRMJB,UHFFFAOYSA,N,"7-Hydroxy-3,7-dimethyloctanal",WPFVBOQKRVRMJB-UHFFFAOYSA-N
HMDB31740,226.15689457,C13H22O3,CCCCC[C@@H]1[C@@H](CC(=O)OC)CCC1=O,"InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1",KVWWIYGFBYDJQC,GHMZBOCLSA,N,Methyl dihydrojasmonate,KVWWIYGFBYDJQC-GHMZBOCLSA-N
HMDB31741,212.177630012,C13H24O2,CCC(C)(C)C1CCCCC1OC(C)=O,"InChI=1S/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3",YEVACTAGDANHRH,UHFFFAOYSA,N,Coniferan,YEVACTAGDANHRH-UHFFFAOYSA-N
HMDB31742,461.153325333,C19H27NO12,OC1COC(OCC2OC(OC3=CC=C(CCN(=O)=O)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C19H27NO12/c21-11-7-29-18(16(25)13(11)22)30-8-12-14(23)15(24)17(26)19(32-12)31-10-3-1-9(2-4-10)5-6-20(27)28/h1-4,11-19,21-26H,5-8H2",ZHVLPKFAODFQST,UHFFFAOYSA,N,4-(2-Nitroethyl)phenyl primeveroside,ZHVLPKFAODFQST-UHFFFAOYSA-N
HMDB31743,424.188588628,C25H28O6,CC(C)=CCC1=C(O)C=CC(C2COC3=C(CC=C(C)C)C(O)=CC(O)=C3C2=O)=C1O,"InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)29)18-12-31-25-17(8-6-14(3)4)20(27)11-21(28)22(25)24(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3",FSHPJPOJLGCQOJ,UHFFFAOYSA,N,"(±)-2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavanone",FSHPJPOJLGCQOJ-UHFFFAOYSA-N
HMDB31744,310.120509064,C19H18O4,CC1(C)OC2=CC(\C=C/C3=C(O)C=C(O)C=C3)=CC(O)=C2C=C1,"InChI=1S/C19H18O4/c1-19(2)8-7-15-17(22)9-12(10-18(15)23-19)3-4-13-5-6-14(20)11-16(13)21/h3-11,20-22H,1-2H3/b4-3-",VPKBRABQIHPIEA,ARJAWSKDSA,N,Artocarbene,VPKBRABQIHPIEA-ARJAWSKDSA-N
HMDB31745,636.096263964,C27H24O18,OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)21(38)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2",QIMAAFXJNKMZMG,UHFFFAOYSA,N,"1,2,4-Trigalloyl-beta-D-glucopyranose",QIMAAFXJNKMZMG-UHFFFAOYSA-N
HMDB31746,632.064963836,C27H20O18,OCC1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C2OC(=O)C4=C(C2O)C(O)=C(O)C(O)=C34)C1O,"InChI=1S/C27H20O18/c28-2-5-14(31)23-24-20(37)12-11(27(42)45-24)9(18(35)22(39)19(12)36)8-10(26(41)44-23)7(16(33)21(38)17(8)34)6-3(25(40)43-5)1-4(29)13(30)15(6)32/h1,5,14,20,23-24,28-39H,2H2",PPUHUWSVCUJGTD,UHFFFAOYSA,N,Vescalin,PPUHUWSVCUJGTD-UHFFFAOYSA-N
HMDB31748,1036.509038866,C49H80O23,CC(CCC1(O)OC2CC3C4CC(=O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OCC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C49H80O23/c1-19(15-64-44-40(61)36(57)35(56)30(14-50)69-44)5-10-49(63)20(2)32-29(72-49)13-24-22-12-26(51)25-11-21(6-8-47(25,3)23(22)7-9-48(24,32)4)68-46-41(62)37(58)42(71-45-39(60)34(55)28(53)17-66-45)31(70-46)18-67-43-38(59)33(54)27(52)16-65-43/h19-25,27-46,50,52-63H,5-18H2,1-4H3",JLPOKVNPMNEDMF,UHFFFAOYSA,N,Chinenoside I,JLPOKVNPMNEDMF-UHFFFAOYSA-N
HMDB31749,624.49650453,C37H68O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-13-12-15-20-31(38)21-16-14-17-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3",ALYPJDVVTYTPDW,UHFFFAOYSA,N,Annomutacin,ALYPJDVVTYTPDW-UHFFFAOYSA-N
HMDB31751,568.257336894,C34H36N2O6,CN1CCC23C4OC5=C2C(CC1C3C=CC4O)=CC(=C5O)C1=C(O)C2=C3C(CC4C5C=CC(O)C(O2)C35CCN4C)=C1,"InChI=1S/C34H36N2O6/c1-35-9-7-33-19-3-5-23(37)31(33)41-29-25(33)15(13-21(19)35)11-17(27(29)39)18-12-16-14-22-20-4-6-24(38)32-34(20,8-10-36(22)2)26(16)30(42-32)28(18)40/h3-6,11-12,19-24,31-32,37-40H,7-10,13-14H2,1-2H3",FOJYFDFNGPRXDR,UHFFFAOYSA,N,y-Morphine,FOJYFDFNGPRXDR-UHFFFAOYSA-N
HMDB31752,318.146723814,C18H22O5,[H]\C1=C([H])/C2=CC(O)=CC(O)=C2C(=O)OC(C)CCCC(=O)CCC1,"InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+",MBMQEIFVQACCCH,XVNBXDOJSA,N,"(S,E)-Zearalenone",MBMQEIFVQACCCH-XVNBXDOJSA-N
HMDB31753,344.162373878,C20H24O5,COC1=C(O)C=CC(=C1)C(O)C(C)OC1=C(OC)C=C(CC=C)C=C1,"InChI=1S/C20H24O5/c1-5-6-14-7-10-17(19(11-14)24-4)25-13(2)20(22)15-8-9-16(21)18(12-15)23-3/h5,7-13,20-22H,1,6H2,2-4H3",PDALBPBLFWHDRD,UHFFFAOYSA,N,2-(4-Allyl-2-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol,PDALBPBLFWHDRD-UHFFFAOYSA-N
HMDB31754,365.162708229,C22H23NO4,CCCCC1=CC2=C(NC=C(C(=O)OC)C2=O)C=C1OCC1=CC=CC=C1,"InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)",NNOPDLNHPOLRRE,UHFFFAOYSA,N,Nequinate,NNOPDLNHPOLRRE-UHFFFAOYSA-N
HMDB31756,372.10564686,C16H20O10,COC(=O)C1(O)C2CC3(C(C)CC(O)C3(O)C11COC1=O)C(O)C(=O)O2,"InChI=1S/C16H20O10/c1-6-3-7(17)16(23)13(6)4-8(26-10(19)9(13)18)15(22,12(21)24-2)14(16)5-25-11(14)20/h6-9,17-18,22-23H,3-5H2,1-2H3",JTVRXANWSWLMEV,UHFFFAOYSA,N,Veranisatin C,JTVRXANWSWLMEV-UHFFFAOYSA-N
HMDB31757,834.49768632,C42H74O16,CC(C)(O)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H74O16/c1-37(2)25(46)10-12-39(5)24-15-20(45)27-19(42(8,14-11-26(47)38(3,4)54)58-36-33(53)31(51)29(49)23(18-44)57-36)9-13-40(27,6)41(24,7)16-21(34(37)39)55-35-32(52)30(50)28(48)22(17-43)56-35/h19-36,43-54H,9-18H2,1-8H3",YFXPRCDUBFSHJY,UHFFFAOYSA,N,Notoginsenoside J,YFXPRCDUBFSHJY-UHFFFAOYSA-N
HMDB31758,354.118417348,C15H22N4O2S2,C\C(N(CC1=C(N)N=C(C)N=C1)C=O)=C(\CCO)SSCC=C,"InChI=1S/C15H22N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h4,8,10,20H,1,5-7,9H2,2-3H3,(H2,16,17,18)/b14-11+",WNCAVNGLACHSRZ,SDNWHVSQSA,N,Allithiamine,WNCAVNGLACHSRZ-SDNWHVSQSA-N
HMDB31759,112.0524295,C6H8O2,CCC(=O)\C=C\C=O,"InChI=1S/C6H8O2/c1-2-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+",GVKYFODEMNCLGS,ONEGZZNKSA,N,(E)-4-Oxo-2-hexen-1-al,GVKYFODEMNCLGS-ONEGZZNKSA-N
HMDB31760,258.05282343,C14H10O5,COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C=CC(O)=C3,"InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3",XOXYHGOIRWABTC,UHFFFAOYSA,N,Gentisin,XOXYHGOIRWABTC-UHFFFAOYSA-N
HMDB31761,164.083729628,C10H12O2,CCCOC(=O)C1=CC=CC=C1,"InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",UDEWPOVQBGFNGE,UHFFFAOYSA,N,Propyl benzoate,UDEWPOVQBGFNGE-UHFFFAOYSA-N
HMDB31762,262.070204828,C11H10N4O4,COC(=O)N\N=C\C1=N(=O)C2=C(C=CC=C2)N(=O)=C1,"InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)/b12-6+",OVGGLBAWFMIPPY,WUXMJOGZSA,N,Carbadox,OVGGLBAWFMIPPY-WUXMJOGZSA-N
HMDB31763,402.188982558,C19H30O9,COC(=O)CC1CCC(=O)C1C\C=C\CCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H30O9/c1-26-15(22)9-11-6-7-13(21)12(11)5-3-2-4-8-27-19-18(25)17(24)16(23)14(10-20)28-19/h2-3,11-12,14,16-20,23-25H,4-10H2,1H3/b3-2+",AJWIFVNLXHFTFD,NSCUHMNNSA,N,Methyl 7-epi-12-hydroxyjasmonate glucoside,AJWIFVNLXHFTFD-NSCUHMNNSA-N
HMDB31764,365.024376847,C12H7N5O9,OC1=C(C=C(C=C1C(=O)N\N=C/C1=CC=C(O1)N(=O)=O)N(=O)=O)N(=O)=O,"InChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)/b13-5-",XXUXXCZCUGIGPP,ACAGNQJTSA,N,Nifursol,XXUXXCZCUGIGPP-ACAGNQJTSA-N
HMDB31766,269.118256596,C14H20ClNO2,CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl,"InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3",XCSGPAVHZFQHGE,UHFFFAOYSA,N,Alachlor,XCSGPAVHZFQHGE-UHFFFAOYSA-N
HMDB31767,290.137890462,C14H18N4O3,CCCCN=C(O)N1C(N=C(O)OC)=NC2=CC=CC=C12,"InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)",RIOXQFHNBCKOKP,UHFFFAOYSA,N,Benomyl,RIOXQFHNBCKOKP-UHFFFAOYSA-N
HMDB31768,288.09490174,C13H21O3PS,CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1,"InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3",FCOAHACKGGIURQ,UHFFFAOYSA,N,Iprobenfos,FCOAHACKGGIURQ-UHFFFAOYSA-N
HMDB31769,191.069476547,C9H9N3O2,COC(=O)NC1=NC2=CC=CC=C2N1,"InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)",TWFZGCMQGLPBSX,UHFFFAOYSA,N,Carbendazim,TWFZGCMQGLPBSX-UHFFFAOYSA-N
HMDB31770,221.105193351,C12H15NO3,CN=C(O)OC1=CC=CC2=C1OC(C)(C)C2,"InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)",DUEPRVBVGDRKAG,UHFFFAOYSA,N,Carbofuran,DUEPRVBVGDRKAG-UHFFFAOYSA-N
HMDB31771,238.084123558,C12H14O5,COC1=CC(OC)=C(OC)C=C1C(=O)C(C)=O,"InChI=1S/C12H14O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-6H,1-4H3",UUZQHDNTPXKEID,UHFFFAOYSA,N,"1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione",UUZQHDNTPXKEID-UHFFFAOYSA-N
HMDB31772,256.13107375,C13H20O5,COC(C(C)O)C1=CC(OC)=C(OC)C=C1OC,"InChI=1S/C13H20O5/c1-8(14)13(18-5)9-6-11(16-3)12(17-4)7-10(9)15-2/h6-8,13-14H,1-5H3",IXNRGYSRFBDZLB,UHFFFAOYSA,N,"1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol",IXNRGYSRFBDZLB-UHFFFAOYSA-N
HMDB31773,316.203844762,C20H28O3,CC1C2CCC3C(C)(C)C(=O)CC(O)C3(C)C2C(=O)C=C1C=C,"InChI=1S/C20H28O3/c1-6-12-9-14(21)18-13(11(12)2)7-8-15-19(3,4)16(22)10-17(23)20(15,18)5/h6,9,11,13,15,17-18,23H,1,7-8,10H2,2-5H3",MMRGGLJWHXYKLZ,UHFFFAOYSA,N,Phytocassane E,MMRGGLJWHXYKLZ-UHFFFAOYSA-N
HMDB31774,810.440171442,C42H66O15,CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C3(C)CCC2(CC1O)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H66O15/c1-37(2)15-21-20-7-8-25-38(3)11-10-27(56-34-32(51)30(49)28(47)22(17-43)54-34)39(4,19-45)24(38)9-12-41(25,6)40(20,5)13-14-42(21,16-26(37)46)36(53)57-35-33(52)31(50)29(48)23(18-44)55-35/h7,19,21-35,43-44,46-52H,8-18H2,1-6H3",PMVQXJMFSBPEIC,UHFFFAOYSA,N,Lucyoside J,PMVQXJMFSBPEIC-UHFFFAOYSA-N
HMDB31775,938.487515564,C48H74O18,CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CCC23C(O)=O)O1,"InChI=1S/C48H74O18/c1-22-33(53)25(52)16-32(61-22)64-31-18-43(2,3)17-24-23-8-9-29-44(4)12-11-30(45(5,21-51)28(44)10-13-47(29,7)46(23,6)14-15-48(24,31)42(59)60)65-41-39(37(57)35(55)27(20-50)63-41)66-40-38(58)36(56)34(54)26(19-49)62-40/h8,24,26-32,34-41,49-51,53-58H,9-21H2,1-7H3,(H,59,60)",XLEIKFRILRTCIS,UHFFFAOYSA,N,AzI,XLEIKFRILRTCIS-UHFFFAOYSA-N
HMDB31776,204.151415262,C14H20O,CCCCCCCC1OC1CC#CC#C,"InChI=1S/C14H20O/c1-3-5-7-8-10-12-14-13(15-14)11-9-6-4-2/h2,13-14H,3,5,7-8,10-12H2,1H3",CRSUKNCTBDUAQP,UHFFFAOYSA,N,"(6R,7S)-6,7-Epoxy-1,3-tetradecadiyne",CRSUKNCTBDUAQP-UHFFFAOYSA-N
HMDB31777,622.480854466,C37H66O7,CCCCC(O)CCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-19-30(38)20-15-13-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-12-10-8-6-5-7-9-11-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3",GANIEPAALYJCMH,UHFFFAOYSA,N,Asiminocin,GANIEPAALYJCMH-UHFFFAOYSA-N
HMDB31778,310.032061659,C14H9ClF2N2O2,FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1,"InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)",QQQYTWIFVNKMRW,UHFFFAOYSA,N,Diflubenzuron,QQQYTWIFVNKMRW-UHFFFAOYSA-N
HMDB31779,290.064650444,C12H18O4S2,CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1,"InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3",UFHLMYOGRXOCSL,UHFFFAOYSA,N,Isoprothiolane,UFHLMYOGRXOCSL-UHFFFAOYSA-N
HMDB31780,295.971418762,C14H4N2O2S2,O=C1C2=C(SC(C#N)=C(S2)C#N)C(=O)C2=CC=CC=C12,InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H,PYZSVQVRHDXQSL,UHFFFAOYSA,N,Dithianon,PYZSVQVRHDXQSL-UHFFFAOYSA-N
HMDB31781,310.025107616,C14H15O2PS2,CCOP(=O)(SC1=CC=CC=C1)SC1=CC=CC=C1,"InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3",AWZOLILCOUMRDG,UHFFFAOYSA,N,"O-Ethyl S,S-diphenyl phosphorodithioate",AWZOLILCOUMRDG-UHFFFAOYSA-N
HMDB31782,225.082349419,C11H15NO2S,CCSCC1=CC=CC=C1OC(O)=NC,"InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",HEZNVIYQEUHLNI,UHFFFAOYSA,N,Ethiofencarb,HEZNVIYQEUHLNI-UHFFFAOYSA-N
HMDB31783,292.064664244,C10H17N2O4PS,CCOC1=CC(OP(=S)(OC)OC)=NC(CC)=N1,"InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3",FGIWFCGDPUIBEZ,UHFFFAOYSA,N,Etrimfos,FGIWFCGDPUIBEZ-UHFFFAOYSA-N
HMDB31784,413.014181779,C16H17BrClN3O3,OC1CCCNC1CC(=O)CN1C=NC2=C(C=C(Cl)C(Br)=C2)C1=O,"InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2",LVASCWIMLIKXLA,UHFFFAOYSA,N,Halofuginone,LVASCWIMLIKXLA-UHFFFAOYSA-N
HMDB31785,333.054800855,C15H13Cl2N5,ClC1=CC=C(\C=N\NC(=N)N\N=C/C2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9-,20-10+",MOOFYEJFXBSZGE,KFSYKRRRSA,N,Robenidine,MOOFYEJFXBSZGE-KFSYKRRRSA-N
HMDB31786,443.233467868,C28H31N2O3,CCN(CC)C1=CC2=C(C=C1)C(C1=CC=CC=C1C(O)=O)=C1C=CC(C=C1O2)=[N+](CC)CC,"InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3/p+1",CVAVMIODJQHEEH,UHFFFAOYSA,O,"9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium(1+)",CVAVMIODJQHEEH-UHFFFAOYSA-O
HMDB31787,303.105800777,C13H22NO3PS,CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1,"InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)",ZCJPOPBZHLUFHF,UHFFFAOYSA,N,Fenamiphos,ZCJPOPBZHLUFHF-UHFFFAOYSA-N
HMDB31788,1054.40966026,C60H78OSn2,CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C1=CC=CC=C1)O[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C1=CC=CC=C1)CC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;",HOXINJBQVZWYGZ,UHFFFAOYSA,N,Hexakis(2-methyl-2-phenylpropyl)distannoxane,HOXINJBQVZWYGZ-UHFFFAOYSA-N
HMDB31789,410.032876391,C20H18O2Sn,CC(=O)O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1",WDQNIWFZKXZFAY,UHFFFAOYSA,M,(Acetyloxy)triphenylstannane,WDQNIWFZKXZFAY-UHFFFAOYSA-M
HMDB31790,368.022311705,C18H16OSn,O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1,BFWMWWXRWVJXSE,UHFFFAOYSA,M,Hydroxytriphenylstannane,BFWMWWXRWVJXSE-UHFFFAOYSA-M
HMDB31791,419.128821282,C25H22ClNO3,CC(C)C(C(=O)OC(C#N)C1=CC(OC2=CC=CC=C2)=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3",NYPJDWWKZLNGGM,UHFFFAOYSA,N,Fenvalerate,NYPJDWWKZLNGGM-UHFFFAOYSA-N
HMDB31792,294.902832188,C9H4Cl3NO2S,ClC(Cl)(Cl)SN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H",HKIOYBQGHSTUDB,UHFFFAOYSA,N,Folpet,HKIOYBQGHSTUDB-UHFFFAOYSA-N
HMDB31793,250.016173091,C9H12ClO4P,COP(=O)(OC)OC1=C(Cl)C2C=CCC12,"InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3",GBAWQJNHVWMTLU,UHFFFAOYSA,N,Heptenophos,GBAWQJNHVWMTLU-UHFFFAOYSA-N
HMDB31794,296.048318494,C14H14Cl2N2O,ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C,"InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2",PZBPKYOVPCNPJY,UHFFFAOYSA,N,Enilconazole,PZBPKYOVPCNPJY-UHFFFAOYSA-N
HMDB31795,329.033396711,C13H13Cl2N3O3,CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1,"InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)",ONUFESLQCSAYKA,UHFFFAOYSA,N,Iprodione,ONUFESLQCSAYKA-UHFFFAOYSA-N
HMDB31796,345.116365463,C15H24NO4PS,CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C,"InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)",HOQADATXFBOEGG,UHFFFAOYSA,N,Isofenphos,HOQADATXFBOEGG-UHFFFAOYSA-N
HMDB31797,193.110278729,C11H15NO2,CN=C(O)OC1=CC=CC=C1C(C)C,"InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)",QBSJMKIUCUGGNG,UHFFFAOYSA,N,2-Isopropylphenyl methylcarbamate,QBSJMKIUCUGGNG-UHFFFAOYSA-N
HMDB31798,409.869954827,C13H10BrCl2O2PS,COP(=S)(OC1=C(Cl)C=C(Br)C(Cl)=C1)C1=CC=CC=C1,"InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3",CVRALZAYCYJELZ,UHFFFAOYSA,N,(±)-Leptophos,CVRALZAYCYJELZ-UHFFFAOYSA-N
HMDB31799,282.173213336,C18H22N2O,CC(C)(C)C1=CC(C=C(C#N)C#N)=CC(=C1O)C(C)(C)C,"InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3",MZOPWQKISXCCTP,UHFFFAOYSA,N,Malonoben,MZOPWQKISXCCTP-UHFFFAOYSA-N
HMDB31800,329.052050647,C10H20NO5PS2,CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC,"InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3",KLGMSAOQDHLCOS,UHFFFAOYSA,N,Mecarbam,KLGMSAOQDHLCOS-UHFFFAOYSA-N
HMDB31801,269.030921275,C8H16NO3PS2,CCOP(=O)(OCC)\N=C1\SCC(C)S1,"InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3/b9-8-",LTQSAUHRSCMPLD,HJWRWDBZSA,N,(±)-Mephosfolan,LTQSAUHRSCMPLD-HJWRWDBZSA-N
HMDB31802,279.147058165,C15H21NO4,COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C,"InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3",ZQEIXNIJLIKNTD,UHFFFAOYSA,N,(±)-Metalaxyl,ZQEIXNIJLIKNTD-UHFFFAOYSA-N
HMDB31803,141.001335707,C2H8NO2PS,COP(N)(=O)SC,"InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)",NNKVPIKMPCQWCG,UHFFFAOYSA,N,(±)-Methamidophos,NNKVPIKMPCQWCG-UHFFFAOYSA-N
HMDB31804,162.046298264,C5H10N2O2S,CS\C(C)=N\OC(O)=NC,"InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+",UHXUZOCRWCRNSJ,QPJJXVBHSA,N,Methomyl,UHXUZOCRWCRNSJ-QPJJXVBHSA-N
HMDB31805,223.060959075,C7H14NO5P,CNC(=O)\C=C(/C)OP(=O)(OC)OC,"InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+",KRTSDMXIXPKRQR,AATRIKPKSA,N,(E)-Monocrotophos,KRTSDMXIXPKRQR-AATRIKPKSA-N
HMDB31806,377.782575932,C4H7Br2Cl2O4P,COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,"InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3",BUYMVQAILCEWRR,UHFFFAOYSA,N,(±)-Naled,BUYMVQAILCEWRR-UHFFFAOYSA-N
HMDB31807,575.022241182,C12H11Hg2O,[OH+]([Hg]C1=CC=CC=C1)[Hg]C1=CC=CC=C1,InChI=1S/2C6H5.2Hg.HO/c2*1-2-4-6-5-3-1;;;/h2*1-5H;;;1H/q;;;;+1,QCNNLUFAAUYWDE,UHFFFAOYSA,N,m-Hydroxydiphenyldimercury(1+),QCNNLUFAAUYWDE-UHFFFAOYSA-N
HMDB31808,258.876139109,C6HCl4NO2,ClC1=CC(Cl)=C(Cl)C(=C1Cl)N(=O)=O,InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H,XQTLDIFVVHJORV,UHFFFAOYSA,N,Tecnazene,XQTLDIFVVHJORV-UHFFFAOYSA-N
HMDB31809,189.036067929,C9H7N3S,CC1=C2N3C=NN=C3SC2=CC=C1,"InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3",DQJCHOQLCLEDLL,UHFFFAOYSA,N,Tricyclazole,DQJCHOQLCLEDLL-UHFFFAOYSA-N
HMDB31810,297.303164875,C19H39NO,CCCCCCCCCCCCCN1CC(C)OC(C)C1,"InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3",YTOPFCCWCSOHFV,UHFFFAOYSA,N,Tridemorph,YTOPFCCWCSOHFV-UHFFFAOYSA-N
HMDB31811,179.094628665,C10H13NO2,CN=C(O)OC1=CC(C)=CC(C)=C1,"InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)",CVQODEWAPZVVBU,UHFFFAOYSA,N,"3,5-Dimethylphenyl methylcarbamate",CVQODEWAPZVVBU-UHFFFAOYSA-N
HMDB31812,315.067761987,C15H13N3O3S,COC(=O)NC1=NC2=CC(=CC=C2N1)S(=O)C1=CC=CC=C1,"InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",BEZZFPOZAYTVHN,UHFFFAOYSA,N,Oxfendazole,BEZZFPOZAYTVHN-UHFFFAOYSA-N
HMDB31813,210.064056818,C9H10N2O4,NC(=O)NC(C(O)=O)C1=CC=C(O)C=C1,"InChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)",GSHIDXLOTQDUAV,UHFFFAOYSA,N,N-Carbamoyl-2-amino-2-(4-hydroxyphenyl)acetic acid,GSHIDXLOTQDUAV-UHFFFAOYSA-N
HMDB31814,906.267626808,C56H42O12,OC1=CC=C(C=C1)C1OC2=C(C=C(\C=C\C3=CC(O)=CC4=C3C(C(O4)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C=C2)C1C1=C2C(C(OC2=CC(O)=C1)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1,"InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1+",WZKKRZSJTLGPHH,HNQUOIGGSA,N,Vitisin C,WZKKRZSJTLGPHH-HNQUOIGGSA-N
HMDB31815,351.85095831,C5H6Cl6N2O3,OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1S/C5H6Cl6N2O3/c6-4(7,8)1(14)12-3(16)13-2(15)5(9,10)11/h1-2,14-15H,(H2,12,13,16)",PPJXIHLNYDVTDI,UHFFFAOYSA,N,Dicloralurea,PPJXIHLNYDVTDI-UHFFFAOYSA-N
HMDB31816,238.062994186,C15H10O3,OC1=C(OC2=CC=CC=C2C1=O)C1=CC=CC=C1,"InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H",HVQAJTFOCKOKIN,UHFFFAOYSA,N,3-Hydroxyflavone,HVQAJTFOCKOKIN-UHFFFAOYSA-N
HMDB31817,150.104465071,C10H14O,CC(C)C1=CC=C(CO)C=C1,"InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3",OIGWAXDAPKFNCQ,UHFFFAOYSA,N,Cuminyl alcohol,OIGWAXDAPKFNCQ-UHFFFAOYSA-N
HMDB31818,106.02660868,C3H6O4,OCC(O)C(O)=O,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)",RBNPOMFGQQGHHO,UHFFFAOYSA,N,"D-2,3-Dihydroxypropanoic acid",RBNPOMFGQQGHHO-UHFFFAOYSA-N
HMDB31819,1158.473915688,C55H82O22S2,CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)C(O)C=C,"InChI=1S/C55H82O22S2/c1-10-30(56)27(2)11-14-51(5,58)50-29(4)19-39-38(72-50)25-46-55(9,75-39)49(57)48-42(71-46)23-41-47(73-48)28(3)12-15-53(7)44(70-41)26-43-54(8,77-53)16-13-31-32(69-43)20-34-33(66-31)21-35-36(67-34)22-40-37(68-35)24-45(76-79(62,63)64)52(6,74-40)17-18-65-78(59,60)61/h10-11,14,28,30-50,56-58H,1-2,4,12-13,15-26H2,3,5-9H3,(H,59,60,61)(H,62,63,64)/b14-11+",CWRLIVGLMMHNBD,SDNWHVSQSA,N,45-Hydroxyyessotoxin,CWRLIVGLMMHNBD-SDNWHVSQSA-N
HMDB31820,199.120843415,C10H17NO3,COC(=O)C1C2CCCN2CC1(C)O,"InChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3",LADVYSUMGRTFSZ,UHFFFAOYSA,N,Neotussilagine,LADVYSUMGRTFSZ-UHFFFAOYSA-N
HMDB31821,208.125200512,C16H16,C1CC(C1C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2",AERGGMDNGDDGPI,UHFFFAOYSA,N,"1,2-Diphenylcyclobutane",AERGGMDNGDDGPI-UHFFFAOYSA-N
HMDB31822,246.946193724,C6H6AsNO5,O[As](O)(=O)C1=CC=C(C=C1)N(=O)=O,"InChI=1S/C6H6AsNO5/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4H,(H2,9,10,11)",FUUFQLXAIUOWML,UHFFFAOYSA,N,Nitarsone,FUUFQLXAIUOWML-UHFFFAOYSA-N
HMDB31823,218.0223917,C12H10S2,S(SC1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,GUUVPOWQJOLRAS,UHFFFAOYSA,N,Diphenyl disulfide,GUUVPOWQJOLRAS-UHFFFAOYSA-N
HMDB31824,272.068473494,C15H12O5,OC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=CC(O)=C2O1,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)14-10(17)5-6-11(18)15(14)20-13/h1-6,13,16-18H,7H2",SMRHIFAZRRVAQZ,UHFFFAOYSA,N,"4',5,8-Trihydroxyflavanone",SMRHIFAZRRVAQZ-UHFFFAOYSA-N
HMDB31825,136.034670946,C8H8S,C=CSC1=CC=CC=C1,"InChI=1S/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2",GMPDOIGGGXSAPL,UHFFFAOYSA,N,Phenyl vinyl sulfide,GMPDOIGGGXSAPL-UHFFFAOYSA-N
HMDB31826,800.406859941,C39H62NO16,CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)[N+]1=CC=CC(O)=C1)OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C39H61NO16/c1-5-6-10-24(3)37(56-36(50)20-27(39(53)54)18-34(47)48)32(55-35(49)19-26(38(51)52)17-33(45)46)16-23(2)15-28(41)11-7-8-12-29(42)21-31(44)25(4)40-14-9-13-30(43)22-40/h9,13-14,22-29,31-32,37,41-42,44H,5-8,10-12,15-21H2,1-4H3,(H4-,43,45,46,47,48,51,52,53,54)/p+1",PUBXIIADYBXHSN,UHFFFAOYSA,O,Fumonisin FP1,PUBXIIADYBXHSN-UHFFFAOYSA-O
HMDB31827,784.411945319,C39H62NO15,CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)[N+]1=CC=CC(O)=C1)OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C39H61NO15/c1-5-6-13-25(3)37(55-36(49)21-28(39(52)53)19-34(46)47)32(54-35(48)20-27(38(50)51)18-33(44)45)17-24(2)12-9-7-8-10-14-29(41)22-31(43)26(4)40-16-11-15-30(42)23-40/h11,15-16,23-29,31-32,37,41,43H,5-10,12-14,17-22H2,1-4H3,(H4-,42,44,45,46,47,50,51,52,53)/p+1",UJUDXXXTXOWVKA,UHFFFAOYSA,O,Fumonisin FP2,UJUDXXXTXOWVKA-UHFFFAOYSA-O
HMDB31828,784.411945319,C39H62NO15,CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCCCC(O)C(C)[N+]1=CC=CC(O)=C1)OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C39H61NO15/c1-5-6-12-25(3)37(55-36(49)22-28(39(52)53)20-34(46)47)32(54-35(48)21-27(38(50)51)19-33(44)45)18-24(2)17-29(41)13-9-7-8-10-15-31(43)26(4)40-16-11-14-30(42)23-40/h11,14,16,23-29,31-32,37,41,43H,5-10,12-13,15,17-22H2,1-4H3,(H4-,42,44,45,46,47,50,51,52,53)/p+1",SJFPAYWMTYRRGT,UHFFFAOYSA,O,Fumonisin FP3,SJFPAYWMTYRRGT-UHFFFAOYSA-O
HMDB31829,488.147117744,C28H24O8,COC1=C(C2C(C(C2C2=C(OC)C=CC3=C2OC(=O)C=C3)C(C)=O)C(C)=O)C2=C(C=CC(=O)O2)C=C1,"InChI=1S/C28H24O8/c1-13(29)21-22(14(2)30)26(24-18(34-4)10-6-16-8-12-20(32)36-28(16)24)25(21)23-17(33-3)9-5-15-7-11-19(31)35-27(15)23/h5-12,21-22,25-26H,1-4H3",WZTQDHIHDRTWFQ,UHFFFAOYSA,N,Bisosthenon B,WZTQDHIHDRTWFQ-UHFFFAOYSA-N
HMDB31830,766.486727704,C42H70O12,CC(C)=CC\C=C(\C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C42H70O12/c1-21(2)10-9-11-22(3)23-12-16-42(8)30(23)24(45)18-28-40(6)15-14-29(39(4,5)27(40)13-17-41(28,42)7)53-38-36(34(49)32(47)26(20-44)52-38)54-37-35(50)33(48)31(46)25(19-43)51-37/h10-11,23-38,43-50H,9,12-20H2,1-8H3/b22-11-",NJUXRKMKOFXMRX,JJFYIABZSA,N,Ginsenoside Rg5,NJUXRKMKOFXMRX-JJFYIABZSA-N
HMDB31831,766.486727704,C42H70O12,CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(\C)=C\CC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O,"InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3/b21-12+",QOMBXPYXWGTFNR,CIAFOILYSA,N,(20E)-Ginsenoside F4,QOMBXPYXWGTFNR-CIAFOILYSA-N
HMDB31832,125.980920816,C2H6O2S2,CSS(C)(=O)=O,"InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3",XYONNSVDNIRXKZ,UHFFFAOYSA,N,Methyl methanethiosulfonate,XYONNSVDNIRXKZ-UHFFFAOYSA-N
HMDB31833,359.049525104,C17H14ClN3O2S,CC1=CC(=CC(C)=C1SC1=CC=C(Cl)C=C1)N1N=CC(=O)NC1=O,"InChI=1S/C17H14ClN3O2S/c1-10-7-13(21-17(23)20-15(22)9-19-21)8-11(2)16(10)24-14-5-3-12(18)4-6-14/h3-9H,1-2H3,(H,20,22,23)",YLEMUUWGEWKCGK,UHFFFAOYSA,N,Tiazuril,YLEMUUWGEWKCGK-UHFFFAOYSA-N
HMDB31834,140.120115134,C9H16O,CC(CCC=C(C)C)C=O,"InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3",YGFGZTXGYTUXBA,UHFFFAOYSA,N,"(±)-2,6-Dimethyl-5-heptenal",YGFGZTXGYTUXBA-UHFFFAOYSA-N
HMDB31835,740.434692134,C39H64O13,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)CO1,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-33(46)34(30(43)27(16-41)50-36)51-35-32(45)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3",ZJCKMLSMXPLTKX,UHFFFAOYSA,N,Asparagoside C,ZJCKMLSMXPLTKX-UHFFFAOYSA-N
HMDB31836,902.487515564,C45H74O18,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)CO1,"InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-37(55)39(62-41-36(54)34(52)32(50)28(16-47)59-41)38(29(17-48)60-42)61-40-35(53)33(51)31(49)27(15-46)58-40/h19-42,46-55H,5-18H2,1-4H3",DEXBUPZUMRUNGB,UHFFFAOYSA,N,Asparagoside D,DEXBUPZUMRUNGB-UHFFFAOYSA-N
HMDB31837,664.397518768,C40H56O8,COC1=C(O)C=CC(\C=C\C(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5C(C)(O)C(C)CCC5(CCC43C)C(O)=O)C2(C)C)=C1,"InChI=1S/C40H56O8/c1-23-15-18-40(34(44)45)20-19-37(5)25(32(40)39(23,7)46)11-13-30-36(4)22-27(42)33(35(2,3)29(36)16-17-38(30,37)6)48-31(43)14-10-24-9-12-26(41)28(21-24)47-8/h9-12,14,21,23,27,29-30,32-33,41-42,46H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+",ZLJNDEAZTHKUBC,GXDHUFHOSA,N,3-O-trans-Feruloyleuscaphic acid,ZLJNDEAZTHKUBC-GXDHUFHOSA-N
HMDB31838,920.49808025,C45H76O19,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H76O19/c1-19(18-58-40-36(54)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-38(56)39(33(51)29(17-48)62-42)63-41-37(55)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3",STAKUOVRJNVEFG,UHFFFAOYSA,N,Asparagoside E,STAKUOVRJNVEFG-UHFFFAOYSA-N
HMDB31839,770.481642326,C41H70O13,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C,"InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-51-35-32(49)29(46)24(18-42)52-35)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)23(44)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3",KWRQPASKWCJCPI,UHFFFAOYSA,N,Ginsenoside F5,KWRQPASKWCJCPI-UHFFFAOYSA-N
HMDB31840,194.13067982,C12H18O2,CC(=O)OC\C(C)=C\C(C=C)C(C)=C,"InChI=1S/C12H18O2/c1-6-12(9(2)3)7-10(4)8-14-11(5)13/h6-7,12H,1-2,8H2,3-5H3/b10-7+",MYZPBDIATBBLPX,JXMROGBWSA,N,"(S,Z)-Lyratol acetate",MYZPBDIATBBLPX-JXMROGBWSA-N
HMDB31841,150.115698458,C9H14N2,CCCC1=C(C)N=CC(C)=N1,"InChI=1S/C9H14N2/c1-4-5-9-8(3)10-6-7(2)11-9/h6H,4-5H2,1-3H3",ARRSOXMGLBJPNV,UHFFFAOYSA,N,"2,5-Dimethyl-3-propylpyrazine",ARRSOXMGLBJPNV-UHFFFAOYSA-N
HMDB31842,258.089208936,C15H14O4,COC1=C(O)C=C(\C=C/C2=CC(O)=CC(O)=C2)C=C1,"InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2-",PHMHDRYYFAYWEG,IHWYPQMZSA,N,Rhapontigenin,PHMHDRYYFAYWEG-IHWYPQMZSA-N
HMDB31843,184.146329884,C11H20O2,CCCCCCCCC(=O)C(C)=O,"InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-11(13)10(2)12/h3-9H2,1-2H3",RMMFUALOIIVORL,UHFFFAOYSA,N,"2,3-Undecanedione",RMMFUALOIIVORL-UHFFFAOYSA-N
HMDB31844,122.08439833,C7H10N2,CC1=NC(C)=C(C)N=C1,"InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3",IAEGWXHKWJGQAZ,UHFFFAOYSA,N,Trimethylpyrazine,IAEGWXHKWJGQAZ-UHFFFAOYSA-N
HMDB31845,174.068079564,C11H10O2,CC\C=C1\OC(=O)C2=CC=CC=C12,"InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5+",NGSZDVVHIGAMOJ,BJMVGYQFSA,N,3-Propylidene-1(3H)-isobenzofuranone,NGSZDVVHIGAMOJ-BJMVGYQFSA-N
HMDB31846,194.167065326,C13H22O,CC(C)=CCC\C(C)=C/CCC(C)=O,"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9-",HNZUNIKWNYHEJJ,XFXZXTDPSA,N,Geranylacetone,HNZUNIKWNYHEJJ-XFXZXTDPSA-N
HMDB31847,128.047344122,C6H8O3,CCC1=C(O)C(=O)CO1,"InChI=1S/C6H8O3/c1-2-5-6(8)4(7)3-9-5/h8H,2-3H2,1H3",GYLJADLTHUFDRR,UHFFFAOYSA,N,"2-Ethyl-3,4-dihydroxyfuran",GYLJADLTHUFDRR-UHFFFAOYSA-N
HMDB31848,360.230059512,C22H32O4,COC1=CC(=C(O)C=C1)C(C)(C)C.COC1=C(C=C(O)C=C1)C(C)(C)C,"InChI=1S/2C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-11(2,3)9-7-8(12)5-6-10(9)13-4/h2*5-7,12H,1-4H3",CZBZUDVBLSSABA,UHFFFAOYSA,N,Butylated hydroxyanisole,CZBZUDVBLSSABA-UHFFFAOYSA-N
HMDB31849,108.068748266,C6H8N2,CCC1=CN=CC=N1,"InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3",KVFIJIWMDBAGDP,UHFFFAOYSA,N,2-Ethylpyrazine,KVFIJIWMDBAGDP-UHFFFAOYSA-N
HMDB31850,138.079312952,C7H10N2O,CCOC1=C(C)N=CC=N1,"InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3",MMKWCKGYULOKET,UHFFFAOYSA,N,2-Ethoxy-3-methylpyrazine,MMKWCKGYULOKET-UHFFFAOYSA-N
HMDB31851,236.214015518,C16H28O,CC1C2CC(CC2C2CCCC(O)C2)C1(C)C,"InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3",BWVZAZPLUTUBKD,UHFFFAOYSA,N,"3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol",BWVZAZPLUTUBKD-UHFFFAOYSA-N
HMDB31852,124.063662888,C6H8N2O,COC1=C(C)N=CC=N1,"InChI=1S/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3",VKJIAEQRKBQLLA,UHFFFAOYSA,N,2-Methoxy-3-methylpyrazine,VKJIAEQRKBQLLA-UHFFFAOYSA-N
HMDB31853,129.991091572,C5H6S2,SCC1=CC=CS1,"InChI=1S/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",GCZQHDFWKVMZOE,UHFFFAOYSA,N,2-Thiophenemethanethiol,GCZQHDFWKVMZOE-UHFFFAOYSA-N
HMDB31854,152.120115134,C10H16O,CCCC1CC(C)=CC(=O)C1,"InChI=1S/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3",URQMEZRQHLCJKR,UHFFFAOYSA,N,3-Methyl-5-propyl-2-cyclohexen-1-one,URQMEZRQHLCJKR-UHFFFAOYSA-N
HMDB31855,188.120115134,C13H16O,CC(C)C\C=C(\C=O)C1=CC=CC=C1,"InChI=1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9-",YURDCJXYOLERLO,LCYFTJDESA,N,5-Methyl-2-phenyl-2-hexenal,YURDCJXYOLERLO-LCYFTJDESA-N
HMDB31856,162.10446507,C11H14O,CC(CC1=CC=C(C)C=C1)C=O,"InChI=1S/C11H14O/c1-9-3-5-11(6-4-9)7-10(2)8-12/h3-6,8,10H,7H2,1-2H3",SGVBCLGVIOFAFT,UHFFFAOYSA,N,(±)-2-Methyl-3-(4-methylphenyl)propanal,SGVBCLGVIOFAFT-UHFFFAOYSA-N
HMDB31857,104.029585568,C4H8OS,CSCCC=O,"InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3",CLUWOWRTHNNBBU,UHFFFAOYSA,N,3-(Methylthio)propanal,CLUWOWRTHNNBBU-UHFFFAOYSA-N
HMDB31858,125.029919919,C6H7NS,CC1=C(SC=N1)C=C,"InChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3",QUAMMXIRDIIGDJ,UHFFFAOYSA,N,4-Methyl-5-vinylthiazole,QUAMMXIRDIIGDJ-UHFFFAOYSA-N
HMDB31859,114.031694058,C5H6O3,CC1=C(O)C(=O)CO1,"InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3",DLVYTANECMRFGX,UHFFFAOYSA,N,Norfuraneol,DLVYTANECMRFGX-UHFFFAOYSA-N
HMDB31860,166.11061308,C9H14N2O,COC1=NC=CN=C1CC(C)C,"InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3",UXFSPRAGHGMRSQ,UHFFFAOYSA,N,2-Methoxy-3-(2-methylpropyl)pyrazine,UXFSPRAGHGMRSQ-UHFFFAOYSA-N
HMDB31861,122.048012824,C6H6N2O,CC(=O)C1=CN=CC=N1,"InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3",DBZAKQWXICEWNW,UHFFFAOYSA,N,2-Acetylpyrazine,DBZAKQWXICEWNW-UHFFFAOYSA-N
HMDB31862,141.061220047,C7H11NS,CC(C)CC1=NC=CS1,"InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3",CMPVUVUNJQERIT,UHFFFAOYSA,N,2-(2-Methylpropyl)thiazole,CMPVUVUNJQERIT-UHFFFAOYSA-N
HMDB31863,280.072906944,C9H16N2O6S,CS(=O)CC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C9H16N2O6S/c1-18(17)4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)",MQEBEBZYRKXMDL,UHFFFAOYSA,N,gamma-Glutamyl-S-methylcysteine sulfoxide,MQEBEBZYRKXMDL-UHFFFAOYSA-N
HMDB31864,178.099379692,C11H14O2,COC1=C(OC)C=C(CC=C)C=C1,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",ZYEMGPIYFIJGTP,UHFFFAOYSA,N,Methyleugenol,ZYEMGPIYFIJGTP-UHFFFAOYSA-N
HMDB31865,294.121571696,C14H18N2O5,CC(=O)C1=C(C)C(=C(C(=C1C)N(=O)=O)C(C)(C)C)N(=O)=O,"InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3",WXCMHFPAUCOJIG,UHFFFAOYSA,N,"4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone",WXCMHFPAUCOJIG-UHFFFAOYSA-N
HMDB31866,164.120115134,C11H16O,CC(C)(O)CCC1=CC=CC=C1,"InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3",YXVSKJDFNJFXAJ,UHFFFAOYSA,N,2-Methyl-4-phenyl-2-butanol,YXVSKJDFNJFXAJ-UHFFFAOYSA-N
HMDB31867,244.18271539,C17H24O,CC(=O)C1=C2CCC(C)(C)C2=CC(=C1)C(C)(C)C,"InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3",IKTHMQYJOWTSJO,UHFFFAOYSA,N,"4-Acetyl-6-tert-butyl-1,1-dimethylindane",IKTHMQYJOWTSJO-UHFFFAOYSA-N
HMDB31868,172.028930666,C7H9O3P,COP(O)(=O)C1=CC=CC=C1,"InChI=1S/C7H9O3P/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3,(H,8,9)",ZWBALHRZGYPNNG,UHFFFAOYSA,N,Monomethyl phenylphosphonate,ZWBALHRZGYPNNG-UHFFFAOYSA-N
HMDB31869,208.146329884,C13H20O2,CCC(=O)OC\C(C)=C\C(C=C)C(C)=C,"InChI=1S/C13H20O2/c1-6-12(10(3)4)8-11(5)9-15-13(14)7-2/h6,8,12H,1,3,7,9H2,2,4-5H3/b11-8+",UYACSVLHQPEITQ,DHZHZOJOSA,N,"(S,E)-Lyratol propanoate",UYACSVLHQPEITQ-DHZHZOJOSA-N
HMDB31870,306.088557008,C11H18N2O6S,C\C=C\S(=O)CC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C11H18N2O6S/c1-2-5-20(19)6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,5,7-8H,3-4,6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b5-2+",LMNDKWXDMBGGAL,GORDUTHDSA,N,gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide,LMNDKWXDMBGGAL-GORDUTHDSA-N
HMDB31871,153.99446239,C4H10S3,CCCSSSC,"InChI=1S/C4H10S3/c1-3-4-6-7-5-2/h3-4H2,1-2H3",ZOYASYRPGHCQHW,UHFFFAOYSA,N,Methyl propyl trisulfide,ZOYASYRPGHCQHW-UHFFFAOYSA-N
HMDB31872,122.0223917,C4H10S2,CCCSSC,"InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3",PUCHCUYBORIUSM,UHFFFAOYSA,N,Methyl propyl disulfide,PUCHCUYBORIUSM-UHFFFAOYSA-N
HMDB31873,264.151415262,C19H20O,O=C(CCC1=CC=CC=C1)\C=C\CCC1=CC=CC=C1,"InChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8+",UDNMYDZHPMNIEQ,RIYZIHGNSA,N,"1,7-Diphenyl-4-hepten-3-one",UDNMYDZHPMNIEQ-RIYZIHGNSA-N
HMDB31874,290.093642386,C11H18N2O5S,NC(CCC(=O)NC(CSCC=C)C(O)=O)C(O)=O,"InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)",FUTHBNRZCFKVQZ,UHFFFAOYSA,N,N-gamma-Glutamyl-S-allylcysteine,FUTHBNRZCFKVQZ-UHFFFAOYSA-N
HMDB31875,139.978812326,C3H8S3,CSCSSC,"InChI=1S/C3H8S3/c1-4-3-6-5-2/h3H2,1-2H3",MYIOBINSHMEDEY,UHFFFAOYSA,N,Methyl (methylthio)methyl disulfide,MYIOBINSHMEDEY-UHFFFAOYSA-N
HMDB31876,248.125988372,C11H20O6,CC(C)=CCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C11H20O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h3,7-15H,4-5H2,1-2H3",GQJQCKUJCHMTNF,UHFFFAOYSA,N,Prenyl glucoside,GQJQCKUJCHMTNF-UHFFFAOYSA-N
HMDB31877,354.18310932,C22H26O4,CC(C)C1=C(OC(C)=O)C(=O)C2=C(C=CC(C)=C2CCCC(C)=C)C1=O,"InChI=1S/C22H26O4/c1-12(2)8-7-9-16-14(5)10-11-17-19(16)21(25)22(26-15(6)23)18(13(3)4)20(17)24/h10-11,13H,1,7-9H2,2-6H3",MCXIDKIJSQDYCT,UHFFFAOYSA,N,Acetylsalvipisone,MCXIDKIJSQDYCT-UHFFFAOYSA-N
HMDB31878,586.205026552,C30H34O12,CC(=O)OC1CC2(O)CC=CC(=O)C2(C)C2CCC3(O)C(=O)OC4(C)C5CC6(C)C7C(=O)C(OC347)(OCC6C(=O)O5)C12,"InChI=1S/C30H34O12/c1-13(31)39-16-10-27(36)8-5-6-17(32)25(27,3)14-7-9-28(37)23(35)41-26(4)18-11-24(2)15(22(34)40-18)12-38-29(19(14)16)21(33)20(24)30(26,28)42-29/h5-6,14-16,18-20,36-37H,7-12H2,1-4H3",RDXUOLZCAJWFGV,UHFFFAOYSA,N,Physalin E acetate,RDXUOLZCAJWFGV-UHFFFAOYSA-N
HMDB31879,512.350174646,C32H48O5,CC(=O)OC1CCC2(C)C(CCC3(C)C2C2OC2C24OC(=O)C5(CCC(C)(C)CC25)CCC34C)C1(C)C,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3",RJEUVXAJCYTMIC,UHFFFAOYSA,N,"11a,12a-Epoxy-3b-hydroxy-28,13-oleananolide 3-acetate",RJEUVXAJCYTMIC-UHFFFAOYSA-N
HMDB31880,952.487909494,C45H76O21,CC(CCC1(O)OC2CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H76O21/c1-17(16-60-40-36(56)33(53)31(51)27(13-46)62-40)5-8-45(59)18(2)30-26(66-45)10-21-19-9-23(49)22-11-25(24(50)12-44(22,4)20(19)6-7-43(21,30)3)61-41-38(58)35(55)39(29(15-48)64-41)65-42-37(57)34(54)32(52)28(14-47)63-42/h17-42,46-59H,5-16H2,1-4H3",UTRJXEOCVQXSFY,UHFFFAOYSA,N,Ampeloside Bf2,UTRJXEOCVQXSFY-UHFFFAOYSA-N
HMDB31881,1114.540732924,C51H86O26,CC(CCC1(O)OC2CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C51H86O26/c1-18(17-69-45-39(64)36(61)33(58)28(13-52)71-45)5-8-51(68)19(2)32-27(77-51)10-22-20-9-24(56)23-11-26(25(57)12-50(23,4)21(20)6-7-49(22,32)3)70-46-41(66)38(63)43(31(16-55)74-46)75-48-42(67)44(35(60)30(15-54)73-48)76-47-40(65)37(62)34(59)29(14-53)72-47/h18-48,52-68H,5-17H2,1-4H3",RPLNTGAJLNTPGI,UHFFFAOYSA,N,Ampeloside Bf1,RPLNTGAJLNTPGI-UHFFFAOYSA-N
HMDB31882,456.360345402,C30H48O3,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC34C)C2C1,"InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,18,20-24,32-33H,9-17H2,1-7H3",FAIBWMGLHJMWQD,UHFFFAOYSA,N,Sandosapogenol,FAIBWMGLHJMWQD-UHFFFAOYSA-N
HMDB31883,956.49808025,C48H76O19,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1,"InChI=1S/C48H76O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,20,22-38,40-42,49-50,52-59H,9-19H2,1-7H3,(H,60,61)",WIHKYILMSPQBIM,UHFFFAOYSA,N,Sandosaponin B,WIHKYILMSPQBIM-UHFFFAOYSA-N
HMDB31884,956.49808025,C48H76O19,CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(=O)C1,"InChI=1S/C48H76O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-26,28-38,40-42,49-51,53-59H,9-20H2,1-7H3,(H,60,61)",JTXVTHCLTOUSSL,UHFFFAOYSA,N,Sandosaponin A,JTXVTHCLTOUSSL-UHFFFAOYSA-N
HMDB31885,288.193674006,C15H28O5,OC(CCCCCCCCC(O)=O)CCCCC(O)=O,"InChI=1S/C15H28O5/c16-13(10-7-8-12-15(19)20)9-5-3-1-2-4-6-11-14(17)18/h13,16H,1-12H2,(H,17,18)(H,19,20)",PNEJUHLZEPRMHF,UHFFFAOYSA,N,6-Hydroxypentadecanedioic acid,PNEJUHLZEPRMHF-UHFFFAOYSA-N
HMDB31886,606.485939844,C37H66O6,CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-13-16-19-22-33(39)34-25-26-36(43-34)35-24-23-32(42-35)21-18-15-12-10-11-14-17-20-31(38)28-30-27-29(2)41-37(30)40/h27,29,31-36,38-39H,3-26,28H2,1-2H3",KEMYLKFITCBCHA,UHFFFAOYSA,N,Rollidecin D,KEMYLKFITCBCHA-UHFFFAOYSA-N
HMDB31887,578.454639716,C35H62O6,CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-13-11-12-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34,36-37H,3-24,26H2,1-2H3",KVJOKNWVKJJSNO,UHFFFAOYSA,N,Rollidecin C,KVJOKNWVKJJSNO-UHFFFAOYSA-N
HMDB31888,760.127564092,C37H28O18,OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(=O)C2(O)C1C1(C=C(O)C(=O)C(O)=C1C2=O)C1OC2=CC(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C37H28O18/c38-12-3-17(40)14-7-21(44)31(53-23(14)5-12)16-9-26(46)37(52)32(16)36(10-22(45)29(48)30(49)27(36)33(37)50)34-25(8-15-18(41)4-13(39)6-24(15)54-34)55-35(51)11-1-19(42)28(47)20(43)2-11/h1-6,9-10,21,25,31-32,34,38-45,47,49,52H,7-8H2",WCQMIZTZMRUYPY,UHFFFAOYSA,N,Theacitrin A,WCQMIZTZMRUYPY-UHFFFAOYSA-N
HMDB31889,344.162373878,C20H24O5,C\C=C(\C)C(=O)OC1C\C(C=O)=C/CC\C(C)=C\C2OC(=O)C(=C)C12,"InChI=1S/C20H24O5/c1-5-13(3)19(22)24-17-10-15(11-21)8-6-7-12(2)9-16-18(17)14(4)20(23)25-16/h5,8-9,11,16-18H,4,6-7,10H2,1-3H3/b12-9+,13-5-,15-8+",LLFFQXOEXCHHKX,VICSYAIFSA,N,"(1(10)E,4E,6a,8b)-8-Angeloyloxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide",LLFFQXOEXCHHKX-VICSYAIFSA-N
HMDB31890,157.092520175,C8H15NS,CSCCCCCCC#N,"InChI=1S/C8H15NS/c1-10-8-6-4-2-3-5-7-9/h2-6,8H2,1H3",MAMGGQVRQMBXMB,UHFFFAOYSA,N,7-(Methylthio)heptanenitrile,MAMGGQVRQMBXMB-UHFFFAOYSA-N
HMDB31891,1100.52508286,C50H84O26,CC1OC(OCC2OC(OC3C(O)C(O)C(CO)OC3OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C=C)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C50H84O26/c1-7-50(6,76-49-44(39(63)33(57)28(19-53)72-49)75-46-41(65)36(60)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(38(62)32(56)27(18-52)71-48)74-47-42(66)37(61)34(58)29(73-47)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11-,23-15+,24-14+",AKJRMUURRHAKDT,DRPMNEMASA,N,Capsianoside III,AKJRMUURRHAKDT-DRPMNEMASA-N
HMDB31892,1084.530168238,C50H84O25,CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C50H84O25/c1-8-50(7,75-49-44(38(61)33(56)28(19-52)71-49)74-47-40(63)36(59)32(55)27(18-51)70-47)17-11-16-23(3)13-9-12-22(2)14-10-15-24(4)20-66-46-42(65)43(31(54)26(6)69-46)73-48-41(64)37(60)34(57)29(72-48)21-67-45-39(62)35(58)30(53)25(5)68-45/h8,12,15-16,25-49,51-65H,1,9-11,13-14,17-21H2,2-7H3/b22-12-,23-16+,24-15+",NFBYZSYLZUMCFV,CVVMOWQVSA,N,Capsianoside II,NFBYZSYLZUMCFV-CVVMOWQVSA-N
HMDB31893,624.49650453,C37H68O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(O)CCCCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-14-16-21-31(39)20-15-12-13-17-22-32-28-30(27-29(2)38)37(42)43-32/h30-36,39-41H,3-28H2,1-2H3",JQYLOYZQPAYVNC,UHFFFAOYSA,N,Squamoxinone,JQYLOYZQPAYVNC-UHFFFAOYSA-N
HMDB31894,1218.066933486,C55H30O33,OC1=CC2=C(C(O)=C1O)C1=C(O)C(O)=C(O)C3=C1C(=O)OC(C1OC(=O)C4=C(C1C1=C5C(=O)OC6=C7C(=CC(O)=C6O)C(=O)OC(C(O)=C1O)=C57)C(O)=C(O)C(O)=C34)C1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OCC1OC2=O,"InChI=1S/C55H30O33/c56-10-1-6-15(33(64)29(10)60)16-7(2-11(57)30(61)34(16)65)51(77)84-44-14(5-82-49(6)75)83-50(76)8-3-12(58)31(62)35(66)17(8)19-26-20(37(68)41(72)36(19)67)21-27-22(39(70)42(73)38(21)69)25(47(87-53(27)79)48(44)88-54(26)80)23-28-24-18-9(52(78)85-46(24)43(74)40(23)71)4-13(59)32(63)45(18)86-55(28)81/h1-4,14,25,44,47-48,56-74H,5H2",MLTBCPQCBQEVMT,UHFFFAOYSA,N,Castacrenin F,MLTBCPQCBQEVMT-UHFFFAOYSA-N
HMDB31895,1188.0563688,C54H28O32,OC1=C2C3C(=O)OC(C4C5=C6C(=O)OC7=C8C(=CC(O)=C7O)C(=O)OC(C(O)=C5OC34C1=O)=C68)C1OC(=O)C3=C2C(O)=C(O)C(O)=C3C2=C(O)C(O)=C(O)C=C2C(=O)OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)OC12,"InChI=1S/C54H28O32/c55-10-1-6-15(32(63)28(10)59)16-7(2-11(56)29(60)33(16)64)49(74)81-40-14(5-79-47(6)72)80-48(73)8-3-12(57)30(61)34(65)17(8)19-22-20(36(67)38(69)35(19)66)24-27-53(78)84-44(45(40)85-51(22)76)26-25-23-21-18-9(4-13(58)31(62)41(18)83-52(23)77)50(75)82-42(21)39(70)43(25)86-54(26,27)46(71)37(24)68/h1-4,14,26-27,40,44-45,55-70H,5H2",IVKFUZPXWZMSIV,UHFFFAOYSA,N,Castacrenin G,IVKFUZPXWZMSIV-UHFFFAOYSA-N
HMDB31896,478.293053698,C27H42O7,CCOC1CC2C3=C(CCC3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=O)C(C)C,"InChI=1S/C27H42O7/c1-6-32-20-12-18-22-17(15(2)3)7-8-26(22,4)9-10-27(18,5)21(11-16(20)13-28)34-25-24(31)23(30)19(29)14-33-25/h11,13,15,18-21,23-25,29-31H,6-10,12,14H2,1-5H3",ZQHNREXELVXBCG,UHFFFAOYSA,N,Erinacine D,ZQHNREXELVXBCG-UHFFFAOYSA-N
HMDB31897,262.141638436,C12H22O6,OCCCCC(O)CCC(O)CCC(=O)C(O)=O,"InChI=1S/C12H22O6/c13-8-2-1-3-9(14)4-5-10(15)6-7-11(16)12(17)18/h9-10,13-15H,1-8H2,(H,17,18)",OPPXDBWFRYVXHW,UHFFFAOYSA,N,Phaseolic acid,OPPXDBWFRYVXHW-UHFFFAOYSA-N
HMDB31898,258.05282343,C14H10O5,CC1=C2C(OC3=C2C=C(O)C=C3C(O)=O)=CC(O)=C1,"InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(14(17)18)13(9)19-11/h2-5,15-16H,1H3,(H,17,18)",XERKTCDLFDGUHP,UHFFFAOYSA,N,Porric acid C,XERKTCDLFDGUHP-UHFFFAOYSA-N
HMDB31899,912.138522708,C44H32O22,OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(=O)C2(O)C1C1(C=C(O)C(=O)C(O)=C1C2=O)C1OC2=CC(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C44H32O22/c45-15-5-20(47)17-9-29(65-41(60)13-1-22(49)33(55)23(50)2-13)37(63-27(17)7-15)19-11-31(54)44(62)38(19)43(12-26(53)35(57)36(58)32(43)39(44)59)40-30(10-18-21(48)6-16(46)8-28(18)64-40)66-42(61)14-3-24(51)34(56)25(52)4-14/h1-8,11-12,29-30,37-38,40,45-53,55-56,58,62H,9-10H2",QEYQVVWKYDOOSW,UHFFFAOYSA,N,Theacitrin C,QEYQVVWKYDOOSW-UHFFFAOYSA-N
HMDB31900,246.125594442,C15H18O3,COC(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=O,"InChI=1S/C15H18O3/c1-13(7-4-5-12-16)8-6-9-14(2)10-11-15(17)18-3/h4-12H,1-3H3/b5-4+,8-6+,11-10+,13-7+,14-9+",MDXPQYRVTKKYEX,BWKOTIHCSA,N,"Methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate",MDXPQYRVTKKYEX-BWKOTIHCSA-N
HMDB31901,250.15689457,C15H22O3,CC1C=C2C(COC2=O)C(O)C2CC(C)(C)CC12,"InChI=1S/C15H22O3/c1-8-4-9-12(7-18-14(9)17)13(16)11-6-15(2,3)5-10(8)11/h4,8,10-13,16H,5-7H2,1-3H3",WAZRIBIDVKNFFE,UHFFFAOYSA,N,Blennin A,WAZRIBIDVKNFFE-UHFFFAOYSA-N
HMDB31902,266.151809192,C15H22O4,CC1C=C2C(COC2=O)C(O)C2CC(C)(C)CC12O,"InChI=1S/C15H22O4/c1-8-4-9-10(6-19-13(9)17)12(16)11-5-14(2,3)7-15(8,11)18/h4,8,10-12,16,18H,5-7H2,1-3H3",VQGAZALZDFKYPA,UHFFFAOYSA,N,Blennin D,VQGAZALZDFKYPA-UHFFFAOYSA-N
HMDB31903,1086.08218962,C48H30O30,OC(=O)C1=CC(O)=C(O)C(O)=C1C1C2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C3C(=C(O)C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OC1COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC1C2OC3=O,"InChI=1S/C48H30O30/c49-10-1-6(43(67)68)15(30(57)26(10)53)23-22-25-21(36(63)39(66)37(22)64)20-24-19(34(61)38(65)35(20)62)18-9(4-13(52)29(56)33(18)60)45(70)75-14-5-74-44(69)7-2-11(50)27(54)31(58)16(7)17-8(3-12(51)28(55)32(17)59)46(71)76-40(14)42(78-48(24)73)41(23)77-47(25)72/h1-4,14,23,40-42,49-66H,5H2,(H,67,68)",VARQYHJHQAIRAT,UHFFFAOYSA,N,Castacrenin D,VARQYHJHQAIRAT-UHFFFAOYSA-N
HMDB31904,1056.071624934,C47H28O29,OC(=O)C1=C2C3C4OC(=O)C5C(=C(O)C(=O)C35OC2=C(O)C(O)=C1)C1=C2C(=C(O)C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OC1COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC1C4OC2=O,"InChI=1S/C47H28O29/c48-10-2-7-15(29(56)25(10)52)16-8(3-11(49)26(53)30(16)57)44(68)73-36-14(5-71-42(7)66)72-43(67)9-4-12(50)27(54)31(58)17(9)19-21-20(33(60)35(62)32(19)59)22-24-46(70)74-38(39(36)75-45(21)69)23-18-6(41(64)65)1-13(51)28(55)37(18)76-47(23,24)40(63)34(22)61/h1-4,14,23-24,36,38-39,48-62H,5H2,(H,64,65)",IPFQZCIOMMYBJU,UHFFFAOYSA,N,Castacrenin E,IPFQZCIOMMYBJU-UHFFFAOYSA-N
HMDB31905,540.490631292,C37H64O2,CCCCCCCCCCCC\C=C\CC\C=C\CC\C=C\CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h14-15,18-19,22-23,34-35H,3-13,16-17,20-21,24-33H2,1-2H3/b15-14+,19-18+,23-22+",GUVSPYLGMPIRFT,BPAZRZBWSA,N,Chatenaytrienin 3,GUVSPYLGMPIRFT-BPAZRZBWSA-N
HMDB31906,542.506281356,C37H66O2,CCCCCCCCCCCC\C=C\CC\C=C\CCCCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h14-15,18-19,34-35H,3-13,16-17,20-33H2,1-2H3/b15-14+,19-18+",JMBHJZMDMSBICG,HOTZHUKSSA,N,Muridienin 4,JMBHJZMDMSBICG-HOTZHUKSSA-N
HMDB31907,542.506281356,C37H66O2,CCCCCCCCCCCCCCCC\C=C\CC\C=C\CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h18-19,22-23,34-35H,3-17,20-21,24-33H2,1-2H3/b19-18+,23-22+",YNPRPJJXZAYRPA,ONFQLNJISA,N,Muridienin 3,YNPRPJJXZAYRPA-ONFQLNJISA-N
HMDB31908,540.490631292,C37H64O2,CCCCCCCCCC\C=C/CC\C=C\CC\C=C\CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h12-13,16-17,20-21,34-35H,3-11,14-15,18-19,22-33H2,1-2H3/b13-12-,17-16+,21-20+",BOWRZSGIKPRYCT,FEBUJWIGSA,N,Chatenaytrienin 4,BOWRZSGIKPRYCT-FEBUJWIGSA-N
HMDB31909,542.506281356,C37H66O2,CCCCCCCCCCCCCC\C=C\CC\C=C\CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h16-17,20-21,34-35H,3-15,18-19,22-33H2,1-2H3/b17-16+,21-20+",PGJOSPXBOBXUCT,HIASSRJUSA,N,Muridienin 2,PGJOSPXBOBXUCT-HIASSRJUSA-N
HMDB31910,512.459331164,C35H60O2,CCCCCCCCCC\C=C\CC\C=C\CC\C=C/CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H60O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32-33(2)37-35(34)36/h12-13,16-17,20-21,32-33H,3-11,14-15,18-19,22-31H2,1-2H3/b13-12+,17-16+,21-20-",BALJQQWVUSFUJC,JPPMZZIVSA,N,Chatenaytrienin 1,BALJQQWVUSFUJC-JPPMZZIVSA-N
HMDB31911,288.063388116,C15H12O6,COC1=C(O)C2=C(C3=C(O2)C(=CC(O)=C3)C(O)=O)C(C)=C1,"InChI=1S/C15H12O6/c1-6-3-10(20-2)12(17)14-11(6)8-4-7(16)5-9(15(18)19)13(8)21-14/h3-5,16-17H,1-2H3,(H,18,19)",YRDAFVVZXCAVIU,UHFFFAOYSA,N,Porric acid B,YRDAFVVZXCAVIU-UHFFFAOYSA-N
HMDB31912,302.07903818,C16H14O6,COC1=CC2=C(OC3=C2C(C)=CC(OC)=C3O)C(=C1)C(O)=O,"InChI=1S/C16H14O6/c1-7-4-11(21-3)13(17)15-12(7)9-5-8(20-2)6-10(16(18)19)14(9)22-15/h4-6,17H,1-3H3,(H,18,19)",SXRYQQFROYXBDQ,UHFFFAOYSA,N,Porric acid A,SXRYQQFROYXBDQ-UHFFFAOYSA-N
HMDB31913,413.329379625,C27H43NO2,CC1C2C(CC3C4CCC5CC(=O)CCC5(C)C4CCC23C)OC11CCC(C)CN1,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3",VCYNHQOAZQMPOJ,UHFFFAOYSA,N,5alpha-Tomatidan-3-one,VCYNHQOAZQMPOJ-UHFFFAOYSA-N
HMDB31914,1044.274681836,C48H52O26,OCC(O)C(O)C(O)C1OC2=C(C1C1=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)\C=C\C3=CC=C(O)C=C3)C1=O)C(=O)C(C(=O)\C=C\C1=CC=C(O)C=C1)=C(O)C2(O)C1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H52O26/c49-13-22(56)30(57)37(64)40-27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(67)47(70,43(28)69)45-38(65)35(62)31(58)23(14-50)72-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(68)48(71,44(29)74-40)46-39(66)36(63)32(59)24(15-51)73-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-71H,13-15H2/b11-5+,12-6+",LBOXAMKXVULZTI,YDWXAUTNSA,N,Anhydrosafflor Yellow B,LBOXAMKXVULZTI-YDWXAUTNSA-N
HMDB31915,1317.878816209,C69H115N13O12,CCC(C)C1NC(=O)C(C(C)C)N(C)C(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(NC(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)C,"InChI=1S/C69H115N13O12/c1-26-43(14)54-64(89)79(22)58(42(12)13)69(94)80(23)56(40(8)9)65(90)76(19)37-52(85)77(20)57(41(10)11)68(93)82(25)60(45(16)28-3)67(92)75(18)36-51(84)72-53(38(4)5)63(88)81(24)59(44(15)27-2)66(91)74(17)35-50(83)71-49(33-46-34-70-48-32-30-29-31-47(46)48)62(87)78(21)55(39(6)7)61(86)73-54/h29-32,34,38-45,49,53-60,70H,26-28,33,35-37H2,1-25H3,(H,71,83)(H,72,84)(H,73,86)",RPRXGEAIZUOLRT,UHFFFAOYSA,N,Omphalotin A,RPRXGEAIZUOLRT-UHFFFAOYSA-N
HMDB31916,246.125594442,C15H18O3,CC(C)=CCCC(O)C1=CC2=CC(O)=CC=C2O1,"InChI=1S/C15H18O3/c1-10(2)4-3-5-13(17)15-9-11-8-12(16)6-7-14(11)18-15/h4,6-9,13,16-17H,3,5H2,1-2H3",PQFYUXKMWDLCDV,UHFFFAOYSA,N,5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran,PQFYUXKMWDLCDV-UHFFFAOYSA-N
HMDB31917,424.188588628,C25H28O6,COC1=C(O)C2=C(C(CC=C(C)C)=C1)C(=O)C1=C(O2)C(CC=C(C)C)=C(OC)C=C1O,"InChI=1S/C25H28O6/c1-13(2)7-9-15-11-19(30-6)22(27)25-20(15)23(28)21-17(26)12-18(29-5)16(24(21)31-25)10-8-14(3)4/h7-8,11-12,26-27H,9-10H2,1-6H3",ZAAAUPCCIDWPPI,UHFFFAOYSA,N,Dulxanthone C,ZAAAUPCCIDWPPI-UHFFFAOYSA-N
HMDB31918,478.205026552,C21H34O12,CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(O)(CO)C12,"InChI=1S/C21H34O12/c1-9(2)3-14(25)33-19-15-11(4-13(24)21(15,29)8-23)10(6-30-19)7-31-20-18(28)17(27)16(26)12(5-22)32-20/h6,9,11-13,15-20,22-24,26-29H,3-5,7-8H2,1-2H3",HOCKGUMMVOPFFC,UHFFFAOYSA,N,Suspensolide F,HOCKGUMMVOPFFC-UHFFFAOYSA-N
HMDB31919,542.278072336,C33H38N2O5,CC(C1NC(=O)C23C1C(C)C1(C)OC1C2\C=C\CC(C)\C=C(C)/C(=O)C(=O)CCC3=O)C1=CNC2=C1C=CC=C2,"InChI=1S/C33H38N2O5/c1-17-9-8-11-23-30-32(5,40-30)20(4)27-28(19(3)22-16-34-24-12-7-6-10-21(22)24)35-31(39)33(23,27)26(37)14-13-25(36)29(38)18(2)15-17/h6-8,10-12,15-17,19-20,23,27-28,30,34H,9,13-14H2,1-5H3,(H,35,39)/b11-8+,18-15-",KPZHIOQEYKRXQD,OIJFLVMVSA,N,Chaetoglobosin N,KPZHIOQEYKRXQD-OIJFLVMVSA-N
HMDB31920,408.1572885,C24H24O6,COC1=C(O)C=C2OC3=C(C(O)=C4C=CC(C)(C)OC4=C3)C(=O)C2=C1CC=C(C)C,"InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3",HQWHKELJHUFLGD,UHFFFAOYSA,N,9-Hydroxycalabaxanthone,HQWHKELJHUFLGD-UHFFFAOYSA-N
HMDB31921,327.147058165,C19H21NO4,[H][C@@]12CC3=CC=C(OC)C(O)=C3C3=C1C(CCN2)=CC(OC)=C3OC,"InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)19(24-3)17(15)16(10)18(13)21/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m1/s1",OHDQLTAYHMLRBA,GFCCVEGCSA,N,(R)-Norisocorydine,OHDQLTAYHMLRBA-GFCCVEGCSA-N
HMDB31922,408.193674006,C25H28O5,CC(C)=CCCC1(C)OC2=C(O)C=CC(CCC(=O)C3=C(O)C=C(O)C=C3)=C2C=C1,"InChI=1S/C25H28O5/c1-16(2)5-4-13-25(3)14-12-19-17(7-11-22(28)24(19)30-25)6-10-21(27)20-9-8-18(26)15-23(20)29/h5,7-9,11-12,14-15,26,28-29H,4,6,10,13H2,1-3H3",NZEMOONSVTXJCP,UHFFFAOYSA,N,"1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-yl]-1-propanone",NZEMOONSVTXJCP-UHFFFAOYSA-N
HMDB31923,344.292659768,C20H40O4,OCCCCCCCCCCC(O)CCCCCCCCC(O)=O,"InChI=1S/C20H40O4/c21-18-14-10-6-2-1-3-7-11-15-19(22)16-12-8-4-5-9-13-17-20(23)24/h19,21-22H,1-18H2,(H,23,24)",RIIQXYZWFWMFSB,UHFFFAOYSA,N,"10,20-Dihydroxyeicosanoic acid",RIIQXYZWFWMFSB-UHFFFAOYSA-N
HMDB31924,314.224580204,C21H30O2,CC(C)=CCC\C(C)=C\CCC(C)(C=C)C1=CC(O)=C(O)C=C1,"InChI=1S/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3/b17-11+",ZBZZDHDWRSFLAY,GZTJUZNOSA,N,4-Nerolidylcatechol,ZBZZDHDWRSFLAY-GZTJUZNOSA-N
HMDB31925,244.109944378,C15H16O3,CC(C)=CCCC(=O)C1=CC2=CC(O)=CC=C2O1,"InChI=1S/C15H16O3/c1-10(2)4-3-5-13(17)15-9-11-8-12(16)6-7-14(11)18-15/h4,6-9,16H,3,5H2,1-2H3",LQWRIKCEOOIFSI,UHFFFAOYSA,N,5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran,LQWRIKCEOOIFSI-UHFFFAOYSA-N
HMDB31926,610.44446896,C35H62O8,CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-13-16-29(37)33-21-22-34(43-33)31(39)19-18-30(38)32-20-17-28(42-32)15-12-10-11-14-27(36)24-26-23-25(2)41-35(26)40/h23,25,27-34,36-39H,3-22,24H2,1-2H3",FTBUPRVFMAYNFL,UHFFFAOYSA,N,Trilobalicin,FTBUPRVFMAYNFL-UHFFFAOYSA-N
HMDB31927,422.172938564,C25H26O6,CC(C)=CCC1=CC(=CC(O)=C1O)C1=COC2=C(CC=C(C)C)C(O)=CC(O)=C2C1=O,"InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-21(28)23(15)29)18-12-31-25-17(8-6-14(3)4)19(26)11-20(27)22(25)24(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3",DPLWUTYEBRKBLI,UHFFFAOYSA,N,Glyurallin B,DPLWUTYEBRKBLI-UHFFFAOYSA-N
HMDB31928,278.188194698,C17H26O3,CCCCCCCC(O)C(O)CC#CC#CC(O)C=C,"InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h4,15-20H,2-3,5-7,10,13-14H2,1H3",RDIMTXDFGHNINN,UHFFFAOYSA,N,Panaxytriol,RDIMTXDFGHNINN-UHFFFAOYSA-N
HMDB31929,305.126322723,C16H19NO5,COC1=CC=CC2=C1N(C)C(=O)C1=C2OC(C)(C)C(O)C1O,"InChI=1S/C16H19NO5/c1-16(2)14(19)12(18)10-13(22-16)8-6-5-7-9(21-4)11(8)17(3)15(10)20/h5-7,12,14,18-19H,1-4H3",GQGXEILPTLCMFO,UHFFFAOYSA,N,Zanthodioline,GQGXEILPTLCMFO-UHFFFAOYSA-N
HMDB31930,305.141578857,C20H19NO2,CN1C(=O)C2=C(OC(C)(C)C3=C2C=C(C)C=C3)C2=CC=CC=C12,"InChI=1S/C20H19NO2/c1-12-9-10-15-14(11-12)17-18(23-20(15,2)3)13-7-5-6-8-16(13)21(4)19(17)22/h5-11H,1-4H3",OSBHLKXCNYMURI,UHFFFAOYSA,N,Benzosimuline,OSBHLKXCNYMURI-UHFFFAOYSA-N
HMDB31931,426.349780716,C29H46O2,CCC(\C=C\C(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,18-20,22-26H,7,10-17H2,1-6H3/b9-8+",FJQGCLCMDPGZHC,CMDGGOBGSA,N,"Stigmast-22-ene-3,6-dione",FJQGCLCMDPGZHC-CMDGGOBGSA-N
HMDB31932,376.188588628,C21H28O6,COC1C2OC(=O)C3(CCCC(C)(C)C23)C2=C1C(O)=C(C(C)C)C(O)=C2O,"InChI=1S/C21H28O6/c1-9(2)10-13(22)11-12(15(24)14(10)23)21-8-6-7-20(3,4)18(21)17(16(11)26-5)27-19(21)25/h9,16-18,22-24H,6-8H2,1-5H3",LBJNLIBZUVWVTE,UHFFFAOYSA,N,"11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide",LBJNLIBZUVWVTE-UHFFFAOYSA-N
HMDB31933,390.204238692,C22H30O6,COC1C2OC(=O)C3(CCCC(C)(C)C23)C2=C1C(OC)=C(C(C)C)C(O)=C2O,"InChI=1S/C22H30O6/c1-10(2)11-14(23)15(24)13-12(16(11)26-5)17(27-6)18-19-21(3,4)8-7-9-22(13,19)20(25)28-18/h10,17-19,23-24H,7-9H2,1-6H3",DHNUPRDARUHAJK,UHFFFAOYSA,N,"11,12-Dihydroxy-7,14-dimethoxy-8,11,13-abietatrien-20,6-olide",DHNUPRDARUHAJK-UHFFFAOYSA-N
HMDB31934,294.219494826,C18H30O3,CC\C=C\C\C=C\C=C\C(O)CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",RIGGEAZDTKMXSI,JPAZTHTMSA,N,"(9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid",RIGGEAZDTKMXSI-JPAZTHTMSA-N
HMDB31935,518.272712186,C25H42O11,CC(CCC1C(C)=CC(=O)CC1(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C25H42O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h8,12-13,15-24,27-32H,6-7,9-10H2,1-5H3",XTPQCRPHXZBRMP,UHFFFAOYSA,N,Blumenol C O-[rhamnosyl-(1->6)-glucoside],XTPQCRPHXZBRMP-UHFFFAOYSA-N
HMDB31936,504.257062122,C24H40O11,CC(CCC1C(C)=CC(=O)CC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h7,13,15-22,25,27-31H,5-6,8-11H2,1-4H3",TUDVISHNHBQYQJ,UHFFFAOYSA,N,Blumenol C O-[apiosyl-(1->6)-glucoside],TUDVISHNHBQYQJ-UHFFFAOYSA-N
HMDB31937,622.480854466,C37H66O7,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCC(O)CCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-21-30(38)19-16-13-10-8-9-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3",OMAAXGPFIAQGDB,UHFFFAOYSA,N,Squamocin F,OMAAXGPFIAQGDB-UHFFFAOYSA-N
HMDB31938,698.636567246,C50H82O,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CO,"InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3/b42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+,49-37-,50-39-",RORDEOUGMCQERP,CIONGFHOSA,N,Arachisprenol 10,RORDEOUGMCQERP-CIONGFHOSA-N
HMDB31939,766.699167502,C55H90O,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C\CO,"InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39-,54-41-,55-43+",TXKJNHBRVLCYFX,VXMSOYOFSA,N,Arachisprenol 11,TXKJNHBRVLCYFX-VXMSOYOFSA-N
HMDB31940,834.761767758,C60H98O,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CO,"InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41-,58-43-,59-45+,60-47+",BDMCAOBQLHJGBE,IMJPMKAYSA,N,Arachisprenol 12,BDMCAOBQLHJGBE-IMJPMKAYSA-N
HMDB31941,370.10525293,C20H18O7,OCC1C(COC1C1=CC2=C(OCO2)C=C1)C(=O)C1=CC2=C(OCO2)C=C1,"InChI=1S/C20H18O7/c21-7-13-14(19(22)11-1-3-15-17(5-11)26-9-24-15)8-23-20(13)12-2-4-16-18(6-12)27-10-25-16/h1-6,13-14,20-21H,7-10H2",RZIWMSJDPYUACC,UHFFFAOYSA,N,8'-Episesaminone,RZIWMSJDPYUACC-UHFFFAOYSA-N
HMDB31942,343.108958099,C15H21NO6S,COC(=S)NCC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1,"InChI=1S/C15H21NO6S/c1-8-11(17)12(18)13(19)14(21-8)22-10-5-3-9(4-6-10)7-16-15(23)20-2/h3-6,8,11-14,17-19H,7H2,1-2H3,(H,16,23)",ZOIAMMQYAZSWRX,UHFFFAOYSA,N,Niazinin A,ZOIAMMQYAZSWRX-UHFFFAOYSA-N
HMDB31943,483.156302221,C22H29NO9S,CCO\C(S)=N\CC1=CC=C(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)C=C1,"InChI=1S/C22H29NO9S/c1-6-27-22(33)23-11-16-7-9-17(10-8-16)32-21-20(31-15(5)26)19(30-14(4)25)18(12(2)28-21)29-13(3)24/h7-10,12,18-21H,6,11H2,1-5H3,(H,23,33)/t12-,18-,19+,20+,21-/m0/s1",WYFYRQBBNVSDHV,CDEOHPBMSA,N,(Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside),WYFYRQBBNVSDHV-CDEOHPBMSA-N
HMDB31944,357.124608163,C16H23NO6S,CCOC(=S)NCC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1,"InChI=1S/C16H23NO6S/c1-3-21-16(24)17-8-10-4-6-11(7-5-10)23-15-14(20)13(19)12(18)9(2)22-15/h4-7,9,12-15,18-20H,3,8H2,1-2H3,(H,17,24)",JOSHUAQJVMGTGS,UHFFFAOYSA,N,Niazimicin A,JOSHUAQJVMGTGS-UHFFFAOYSA-N
HMDB31945,399.135172849,C18H25NO7S,CCOC(=S)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1,"InChI=1S/C18H25NO7S/c1-4-23-18(27)19-9-12-5-7-13(8-6-12)26-17-15(22)14(21)16(10(2)24-17)25-11(3)20/h5-8,10,14-17,21-22H,4,9H2,1-3H3,(H,19,27)",NZQNGCULBWTLGQ,UHFFFAOYSA,N,Niaziminin A,NZQNGCULBWTLGQ-UHFFFAOYSA-N
HMDB31946,483.156302221,C22H29NO9S,CCO\C(S)=N\CC1=CC=C(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)C=C1,"InChI=1S/C22H29NO9S/c1-6-27-22(33)23-11-16-7-9-17(10-8-16)32-21-20(31-15(5)26)19(30-14(4)25)18(12(2)28-21)29-13(3)24/h7-10,12,18-21H,6,11H2,1-5H3,(H,23,33)/t12-,18-,19+,20+,21-/m0/s1",WYFYRQBBNVSDHV,CDEOHPBMSA,N,N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside),WYFYRQBBNVSDHV-CDEOHPBMSA-N
HMDB31947,369.142366717,C17H23NO8,COC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1,"InChI=1S/C17H23NO8/c1-9-15(25-10(2)19)13(20)14(21)16(24-9)26-12-6-4-11(5-7-12)8-18-17(22)23-3/h4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,22)",RHLFBIFJRZNCRZ,UHFFFAOYSA,N,Niazicinin A,RHLFBIFJRZNCRZ-UHFFFAOYSA-N
HMDB31948,453.163496089,C21H27NO10,COC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1,"InChI=1S/C21H27NO10/c1-11-17(29-12(2)23)18(30-13(3)24)19(31-14(4)25)20(28-11)32-16-8-6-15(7-9-16)10-22-21(26)27-5/h6-9,11,17-20H,10H2,1-5H3,(H,22,26)",LCQPFOZNYVLABG,UHFFFAOYSA,N,1-Isobutanol,LCQPFOZNYVLABG-UHFFFAOYSA-N
HMDB31949,467.179146153,C22H29NO10,CCOC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1,"InChI=1S/C22H29NO10/c1-6-28-22(27)23-11-16-7-9-17(10-8-16)33-21-20(32-15(5)26)19(31-14(4)25)18(12(2)29-21)30-13(3)24/h7-10,12,18-21H,6,11H2,1-5H3,(H,23,27)",GTQXJGMYZPFFKR,UHFFFAOYSA,N,Bis-N-butyl phthalate,GTQXJGMYZPFFKR-UHFFFAOYSA-N
HMDB31950,228.05112267,C5H13N2O6P,NCCOP(O)(=O)OCC(N)C(O)=O,"InChI=1S/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)",UQDJGEHQDNVPGU,UHFFFAOYSA,N,L-2-Aminoethyl seryl phosphate,UQDJGEHQDNVPGU-UHFFFAOYSA-N
HMDB31951,450.4436811,C30H58O2,CC(C)=CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C30H58O2/c1-29(2)27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30(31)32/h27H,3-26,28H2,1-2H3,(H,31,32)",ZMHHQHCAPNQNJR,UHFFFAOYSA,N,28-Methyl-27-nonacosenoic acid,ZMHHQHCAPNQNJR-UHFFFAOYSA-N
HMDB31952,247.193614427,C16H25NO,CCCCCCCCCC(=O)C1=CN=CC(C)=C1,"InChI=1S/C16H25NO/c1-3-4-5-6-7-8-9-10-16(18)15-11-14(2)12-17-13-15/h11-13H,3-10H2,1-2H3",DDGAOBFOWITDPC,UHFFFAOYSA,N,1-(5-Methyl-3-pyridinyl)-1-decanone,DDGAOBFOWITDPC-UHFFFAOYSA-N
HMDB31953,428.329045274,C28H44O3,CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(=O)C4(O)CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-24,29,31H,9-14,16H2,1-6H3/b8-7+",KAIVGEVOBNIWLR,BQYQJAHWSA,N,"3,5-Dihydroxyergosta-7,22-dien-6-one",KAIVGEVOBNIWLR-BQYQJAHWSA-N
HMDB31954,380.168247116,C16H28O10,CC(=C)CCOC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C16H28O10/c1-8(2)3-4-23-14-12(20)11(19)10(18)9(26-14)5-24-15-13(21)16(22,6-17)7-25-15/h9-15,17-22H,1,3-7H2,2H3",DZEALCQVCAOHSL,UHFFFAOYSA,N,3-Methyl-3-butenyl apiosyl-(1->6)-glucoside,DZEALCQVCAOHSL-UHFFFAOYSA-N
HMDB31955,388.115817616,C20H20O8,COC(=O)CC1C(C(C2=C1C=C(O)C(O)=C2)C1=CC=C(O)C(O)=C1)C(=O)OC,"InChI=1S/C20H20O8/c1-27-17(25)8-12-10-6-15(23)16(24)7-11(10)18(19(12)20(26)28-2)9-3-4-13(21)14(22)5-9/h3-7,12,18-19,21-24H,8H2,1-2H3",CWIZKMYGNOEFKO,UHFFFAOYSA,N,"Dimethyl (1R*,2S*,3S*)-2-carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetate",CWIZKMYGNOEFKO-UHFFFAOYSA-N
HMDB31956,380.168247116,C16H28O10,CC(C)=CCOC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C16H28O10/c1-8(2)3-4-23-14-12(20)11(19)10(18)9(26-14)5-24-15-13(21)16(22,6-17)7-25-15/h3,9-15,17-22H,4-7H2,1-2H3",IBDIFTBEAJHIPD,UHFFFAOYSA,N,Prenyl apiosyl-(1->6)-glucoside,IBDIFTBEAJHIPD-UHFFFAOYSA-N
HMDB31957,426.386166222,C30H50O,CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C,"InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3",HUNLTIZKNQDZEI,UHFFFAOYSA,N,3-Epicycloeucalenol,HUNLTIZKNQDZEI-UHFFFAOYSA-N
HMDB31958,442.23553882,C26H34O6,CC(=O)OC1CCC2(C)C(COC3=CC4=C(C=CC(=O)O4)C=C3)C(C)(O)CCC2C1(C)C,"InChI=1S/C26H34O6/c1-16(27)31-22-11-12-25(4)20(24(22,2)3)10-13-26(5,29)21(25)15-30-18-8-6-17-7-9-23(28)32-19(17)14-18/h6-9,14,20-22,29H,10-13,15H2,1-5H3",RIPKCRCUFJSKKD,UHFFFAOYSA,N,3-O-Acetylepisamarcandin,RIPKCRCUFJSKKD-UHFFFAOYSA-N
HMDB31959,1262.593162424,C60H94O28,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C3O)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C60H94O28/c1-25-35(66)38(69)43(74)49(81-25)86-46-40(71)36(67)28(22-61)82-51(46)87-47-42(73)41(72)45(48(76)77)85-52(47)84-32-12-13-56(5)30(57(32,6)24-62)11-14-59(8)31(56)10-9-26-27-19-54(2,3)15-17-60(27,18-16-58(26,59)7)53(78)88-50-44(75)39(70)37(68)29(83-50)23-80-34(65)21-55(4,79)20-33(63)64/h9,25,27-32,35-47,49-52,61-62,66-75,79H,10-24H2,1-8H3,(H,63,64)(H,76,77)",SILMXHKXFXVRML,UHFFFAOYSA,N,Lablaboside D,SILMXHKXFXVRML-UHFFFAOYSA-N
HMDB31960,1410.666721296,C66H106O32,CC1OC(OC2C(C)OC(OC3C(O)C(O)C(CO)OC3OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)=O)C(C)(CO)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C66H106O32/c1-24-34(70)38(74)45(81)54(87-24)93-48-26(3)89-56(47(83)44(48)80)96-51-41(77)37(73)30(22-68)91-58(51)98-60(86)66-18-16-61(4,5)20-28(66)27-10-11-32-62(6)14-13-33(63(7,23-69)31(62)12-15-65(32,9)64(27,8)17-19-66)92-59-52(43(79)42(78)49(94-59)53(84)85)97-57-50(40(76)36(72)29(21-67)90-57)95-55-46(82)39(75)35(71)25(2)88-55/h10,24-26,28-52,54-59,67-83H,11-23H2,1-9H3,(H,84,85)",SHUUAUOAWODYLP,UHFFFAOYSA,N,Lablaboside E,SHUUAUOAWODYLP-UHFFFAOYSA-N
HMDB31961,1394.671806674,C66H106O31,CC1OC(OC2C(C)OC(OC3C(O)C(O)C(CO)OC3OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)=O)C(C)(C)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C66H106O31/c1-24-34(69)38(73)45(80)54(86-24)92-48-26(3)88-56(47(82)44(48)79)95-51-41(76)37(72)30(23-68)90-58(51)97-60(85)66-19-17-61(4,5)21-28(66)27-11-12-32-63(8)15-14-33(62(6,7)31(63)13-16-65(32,10)64(27,9)18-20-66)91-59-52(43(78)42(77)49(93-59)53(83)84)96-57-50(40(75)36(71)29(22-67)89-57)94-55-46(81)39(74)35(70)25(2)87-55/h11,24-26,28-52,54-59,67-82H,12-23H2,1-10H3,(H,83,84)",NRWHQLLFSRFPCQ,UHFFFAOYSA,N,Lablaboside F,NRWHQLLFSRFPCQ-UHFFFAOYSA-N
HMDB31962,528.381474774,C33H52O5,CC(CCC(C1C(O)CC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O)C(C)=C,"InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h20,22,25-28,35H,1,10-18H2,2-9H3,(H,36,37)",ZCMJUAGNOJTZBJ,UHFFFAOYSA,N,Tsugaric acid B,ZCMJUAGNOJTZBJ-UHFFFAOYSA-N
HMDB31963,326.20932407,C18H30O5,COC1OC2(CC3CCC(O)C(C)C3(C)C(OC)C2=C1C)OC,"InChI=1S/C18H30O5/c1-10-14-15(20-4)17(3)11(2)13(19)8-7-12(17)9-18(14,22-6)23-16(10)21-5/h11-13,15-16,19H,7-9H2,1-6H3",CLQUNRBWTPVVAG,UHFFFAOYSA,N,"(3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol",CLQUNRBWTPVVAG-UHFFFAOYSA-N
HMDB31964,394.23553882,C22H34O6,COC1OC2(CC3CCC(O)C(C)C3(C)C(OC(=O)C(\C)=C\C)C2=C1C)OC,"InChI=1S/C22H34O6/c1-8-12(2)19(24)27-18-17-13(3)20(25-6)28-22(17,26-7)11-15-9-10-16(23)14(4)21(15,18)5/h8,14-16,18,20,23H,9-11H2,1-7H3/b12-8+",MEKWGZJWKCYLQM,XYOKQWHBSA,N,"(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol",MEKWGZJWKCYLQM-XYOKQWHBSA-N
HMDB31965,1074.561074436,C53H86O22,CC1OC(OC2C(OC3C(O)C(O)C(OC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(O)C6(C)CCC54C)C3(C)CO)C(O)=O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C53H86O22/c1-22-31(58)34(61)38(65)45(69-22)75-42-39(72-44-37(64)32(59)25(56)20-68-44)33(60)26(19-54)70-47(42)74-41-36(63)35(62)40(43(66)67)73-46(41)71-30-12-13-50(5)27(51(30,6)21-55)11-14-53(8)28(50)10-9-23-24-17-48(2,3)18-29(57)49(24,4)15-16-52(23,53)7/h9,22,24-42,44-47,54-65H,10-21H2,1-8H3,(H,66,67)",JFAPKKOOIAVSGI,UHFFFAOYSA,N,Melilotussaponin O1,JFAPKKOOIAVSGI-UHFFFAOYSA-N
HMDB31966,576.262422272,C36H36N2O5,CN1\C=C/C2=CC=CC=C2C(C(O)C1=O)C1=CC=CC=C1.CN1C(O)C(C(C(O)C1=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H19NO3.C18H17NO2/c1-19-17(21)15(13-10-6-3-7-11-13)14(16(20)18(19)22)12-8-4-2-5-9-12;1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-11,14-17,20-21H,1H3;2-12,16-17,20H,1H3/b;12-11-",JEXLBHFKFVMTFT,LATCQUSVSA,N,Lansimide 2,JEXLBHFKFVMTFT-LATCQUSVSA-N
HMDB31967,452.13186161,C21H24O11,OCC1OC(OC2=C(O)C=C(O)C(C(O)\C=C\C3=CC=C(O)C=C3)=C2O)C(O)C(O)C1O,"InChI=1S/C21H24O11/c22-8-14-16(27)18(29)19(30)21(31-14)32-20-13(26)7-12(25)15(17(20)28)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,11,14,16,18-19,21-30H,8H2/b6-3+",YIJNZIXWHVONBS,ZZXKWVIFSA,N,Precarthamin,YIJNZIXWHVONBS-ZZXKWVIFSA-N
HMDB31968,609.160816014,C31H29O13,COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(O)C=C1)=CC(O)=C2,"InChI=1S/C31H28O13/c1-39-21-7-14(8-22(40-2)25(21)35)29-30(44-31-28(38)27(37)26(36)23(12-32)43-31)17-11-18(13-3-5-15(33)6-4-13)41-19-9-16(34)10-20(42-29)24(17)19/h3-11,23,26-28,31-32,36-38H,12H2,1-2H3,(H2-,33,34,35)/p+1/t23-,26-,27+,28-,31+/m1/s1",QVDUZUIZMDYJSK,BGXVWEPQSA,O,Malvidin 3-glucoside-4-vinylphenol,QVDUZUIZMDYJSK-BGXVWEPQSA-O
HMDB31969,280.073558872,C17H12O4,CC1=CC=C(C=C1)C(=O)C1=C(O)C(=O)C2=CC=CC=C2O1,"InChI=1S/C17H12O4/c1-10-6-8-11(9-7-10)14(18)17-16(20)15(19)12-4-2-3-5-13(12)21-17/h2-9,20H,1H3",IZGJHVUQSWAPEG,UHFFFAOYSA,N,3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one,IZGJHVUQSWAPEG-UHFFFAOYSA-N
HMDB31970,248.141244506,C15H20O3,CC1CCC(O)C2(C)CC3OC(=O)C(=C)C3C=C12,"InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3",FRNIMDDQCZHAFA,UHFFFAOYSA,N,1beta-Hydroxyalantolactone,FRNIMDDQCZHAFA-UHFFFAOYSA-N
HMDB31971,334.068867424,C16H14O8,OC1COC(OC2=C3OC(=O)C=CC3=CC3=C2OC=C3)C(O)C1O,"InChI=1S/C16H14O8/c17-9-6-22-16(12(20)11(9)19)24-15-13-8(3-4-21-13)5-7-1-2-10(18)23-14(7)15/h1-5,9,11-12,16-17,19-20H,6H2",HBYXUKYDTXEALZ,UHFFFAOYSA,N,Xanthotoxol arabinoside,HBYXUKYDTXEALZ-UHFFFAOYSA-N
HMDB31972,264.136159128,C15H20O4,CC1=CC(=O)C2(CC1=O)OC(CC2C=C)C(C)(C)O,"InChI=1S/C15H20O4/c1-5-10-7-13(14(3,4)18)19-15(10)8-11(16)9(2)6-12(15)17/h5-6,10,13,18H,1,7-8H2,2-4H3",MATQAMIEUDKYBO,UHFFFAOYSA,N,Heliespirone A,MATQAMIEUDKYBO-UHFFFAOYSA-N
HMDB31973,206.094294314,C12H14O3,OC1COC(OC1)\C=C\C1=CC=CC=C1,"InChI=1S/C12H14O3/c13-11-8-14-12(15-9-11)7-6-10-4-2-1-3-5-10/h1-7,11-13H,8-9H2/b7-6+",AWGIRTJPUGDYCN,VOTSOKGWSA,N,"(2RS,5RS)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol",AWGIRTJPUGDYCN-VOTSOKGWSA-N
HMDB31974,755.19759545,C40H35O15,COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C1=CC=C(O)C=C1)=CC(O)=C2,"InChI=1S/C40H34O15/c1-49-29-13-21(14-30(50-2)34(29)45)38-39(25-17-26(20-6-10-23(42)11-7-20)52-27-15-24(43)16-28(53-38)33(25)27)55-40-37(48)36(47)35(46)31(54-40)18-51-32(44)12-5-19-3-8-22(41)9-4-19/h3-17,31,35-37,40,46-48H,18H2,1-2H3,(H3-,41,42,43,44,45)/p+1",DTVIIDYYHWSEEN,UHFFFAOYSA,O,Malvidin 6-(6-p-coumaroylglucoside)-4-vinylphenol,DTVIIDYYHWSEEN-UHFFFAOYSA-O
HMDB31975,294.089208936,C18H14O4,COC1=C(OC2=CC=CC=C2C1=O)C(=O)C1=CC=C(C)C=C1,"InChI=1S/C18H14O4/c1-11-7-9-12(10-8-11)15(19)18-17(21-2)16(20)13-5-3-4-6-14(13)22-18/h3-10H,1-2H3",JDTVHPZFOBNGBS,UHFFFAOYSA,N,3-Methoxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one,JDTVHPZFOBNGBS-UHFFFAOYSA-N
HMDB31976,312.172544634,C20H24O3,COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=O,"InChI=1S/C20H24O3/c1-17(9-5-6-10-18(2)13-8-16-21)11-7-12-19(3)14-15-20(22)23-4/h5-16H,1-4H3/b6-5+,11-7+,13-8+,15-14+,17-9+,18-10+,19-12-",NXZZZYUALZNGOO,OKMAZBOSSA,N,"Methyl (9Z)-10'-oxo-6,10'-diapo-6-carotenoate",NXZZZYUALZNGOO-OKMAZBOSSA-N
HMDB31977,392.23514489,C26H32O3,COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(C)=O,"InChI=1S/C26H32O3/c1-21(13-9-15-23(3)17-19-25(5)27)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)29-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15+,24-16-",QJUIMMSGBIDDCA,XXTRIWPXSA,N,"Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate",QJUIMMSGBIDDCA-XXTRIWPXSA-N
HMDB31978,378.219494826,C25H30O3,COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=O,"InChI=1S/C25H30O3/c1-21(13-8-15-23(3)17-10-20-26)11-6-7-12-22(2)14-9-16-24(4)18-19-25(27)28-5/h6-20H,1-5H3/b7-6+,13-8+,14-9+,17-10+,19-18+,21-11+,22-12+,23-15+,24-16-",AXJDLEYLECTZDP,PASTWLGUSA,N,"Methyl (9Z)-6'-oxo-6,6'-diapo-6-carotenoate",AXJDLEYLECTZDP-PASTWLGUSA-N
HMDB31979,352.203844762,C23H28O3,COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)C=O,"InChI=1S/C23H28O3/c1-19(12-8-14-21(3)16-17-23(25)26-5)10-6-7-11-20(2)13-9-15-22(4)18-24/h6-18H,1-5H3/b7-6+,12-8+,13-9+,17-16+,19-10+,20-11+,21-14-,22-15+",JMFNGSBVJBPGQR,IWRWKHRWSA,N,"Methyl (9Z)-8'-oxo-6,8'-diapo-6-carotenoate",JMFNGSBVJBPGQR-IWRWKHRWSA-N
HMDB31980,254.864452549,CH5NO2S6,COS(=O)SSSSSN,"InChI=1S/CH5NO2S6/c1-4-10(3)9-8-7-6-5-2/h2H2,1H3",GVNHNXWRAMFPLL,UHFFFAOYSA,N,Amino (methoxysulfinyl) pentasulfide,GVNHNXWRAMFPLL-UHFFFAOYSA-N
HMDB31981,354.088557008,C15H18N2O6S,CC1OC(OC2=CC=C(C\N=C(\S)OC#N)C=C2)C(O)C(O)C1O,"InChI=1S/C15H18N2O6S/c1-8-11(18)12(19)13(20)14(22-8)23-10-4-2-9(3-5-10)6-17-15(24)21-7-16/h2-5,8,11-14,18-20H,6H2,1H3,(H,17,24)",NYQKSLDPYVPTRT,UHFFFAOYSA,N,Niazidin,NYQKSLDPYVPTRT-UHFFFAOYSA-N
HMDB31982,104.029585568,C4H8OS,CC(S)C(C)=O,"InChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3",XLMPYCGSRHSSSX,UHFFFAOYSA,N,3-Mercapto-2-butanone,XLMPYCGSRHSSSX-UHFFFAOYSA-N
HMDB31983,699.528532939,C39H73NO9,CCCCCCCCCCCCC(O)C(\O)=N\C(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CCCCCCCCCC,"InChI=1S/C39H73NO9/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-19-14-12-10-8-6-4-2/h18,20,25,27,31-37,39,41-46H,3-17,19,21-24,26,28-30H2,1-2H3,(H,40,47)/b20-18+,27-25+",ILIBLZKROFPFRG,OQHYMBEVSA,N,Lucyobroside,ILIBLZKROFPFRG-OQHYMBEVSA-N
HMDB31984,194.094294314,C11H14O3,COC1=CC(O)=C(OC)C=C1CC=C,"InChI=1S/C11H14O3/c1-4-5-8-6-11(14-3)9(12)7-10(8)13-2/h4,6-7,12H,1,5H2,2-3H3",WPWFNFQROATLTG,UHFFFAOYSA,N,"2,5-Dimethoxy-4-(2-propenyl)phenol",WPWFNFQROATLTG-UHFFFAOYSA-N
HMDB31985,264.077992322,C9H16N2O5S,CSCC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)",UPCDLBPYWXOCOK,UHFFFAOYSA,N,gamma-Glutamyl-S-methylcysteine,UPCDLBPYWXOCOK-UHFFFAOYSA-N
HMDB31986,598.18925733,C40H26N2O4,CC1=CC(=CC(C)=C1)N1C(=O)C2=CC=C3C4=CC=C5C(=O)N(C6=CC(C)=CC(C)=C6)C(=O)C6=C5C4=C(C=C6)C4=C3C2=C(C=C4)C1=O,"InChI=1S/C40H26N2O4/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26/h5-18H,1-4H3",FDXVHZCFTCIKDD,UHFFFAOYSA,N,C.I. Pigment Red 149,FDXVHZCFTCIKDD-UHFFFAOYSA-N
HMDB31987,558.149442704,C27H30N2O7S2,CCN(CC)C1=CC2=C(C=C1)C(C1=CC=C(C=C1S([O-])(=O)=O)S(O)(=O)=O)=C1C=CC(C=C1O2)=[N+](CC)CC,"InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)",IOOMXAQUNPWDLL,UHFFFAOYSA,N,Sulforhodamine B,IOOMXAQUNPWDLL-UHFFFAOYSA-N
HMDB31988,696.205420482,C35H36O15,OCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(OC2OCC(O)(COC(=O)\C=C\C3=CC=C(O)C=C3)C2O)C(O)C1O,"InChI=1S/C35H36O15/c36-16-27-29(42)30(43)31(50-34-32(44)35(45,18-47-34)17-46-28(41)14-6-19-1-7-21(37)8-2-19)33(49-27)48-23-10-3-20(4-11-23)5-13-25(39)24-12-9-22(38)15-26(24)40/h1-15,27,29-34,36-38,40,42-45H,16-18H2/b13-5+,14-6+",DBMYJNREMDOYPY,ACFHMISVSA,N,Licorice glycoside B,DBMYJNREMDOYPY-ACFHMISVSA-N
HMDB31989,726.215985168,C36H38O16,COC1=C(O)C=CC(\C=C\C(=O)OCC2(O)COC(OC3C(OC4=CC=C(\C=C\C(=O)C5=C(O)C=C(O)C=C5)C=C4)OC(CO)C(O)C3O)C2O)=C1,"InChI=1S/C36H38O16/c1-47-27-14-20(5-12-25(27)40)6-13-29(42)48-17-36(46)18-49-35(33(36)45)52-32-31(44)30(43)28(16-37)51-34(32)50-22-8-2-19(3-9-22)4-11-24(39)23-10-7-21(38)15-26(23)41/h2-15,28,30-35,37-38,40-41,43-46H,16-18H2,1H3/b11-4+,13-6+",BYQKEKUAWGGZTQ,QZRCSFIOSA,N,Licorice glycoside A,BYQKEKUAWGGZTQ-QZRCSFIOSA-N
HMDB31990,1060.545424372,C52H84O22,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C52H84O22/c1-47(2)14-15-52(46(65)66)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(74-43-39(64)36(61)34(59)26(18-53)70-43)37(62)35(60)27(71-45)21-69-44-40(33(58)25(55)20-68-44)73-42-38(63)32(57)24(54)19-67-42/h8,23-45,53-64H,9-21H2,1-7H3,(H,65,66)",AZFFBGWLLZUTDW,UHFFFAOYSA,N,Pitheduloside K,AZFFBGWLLZUTDW-UHFFFAOYSA-N
HMDB31991,576.18429111,C28H32O13,COC1=C(OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1,"InChI=1S/C28H32O13/c1-11-19(30)22(33)24(35)27(37-11)41-26-23(34)20(31)12(2)38-28(26)40-25-17(36-3)10-16-18(21(25)32)14(29)9-15(39-16)13-7-5-4-6-8-13/h4-12,19-20,22-24,26-28,30-35H,1-3H3",HKKXKZVCSZYRHK,UHFFFAOYSA,N,Negletein 6-[rhamnosyl-(1->2)-fucoside],HKKXKZVCSZYRHK-UHFFFAOYSA-N
HMDB31992,342.110338308,C19H18O6,COC1=C(CC=C(C)C)C2=C(C(O)=C1)C(=O)C1=C(O2)C(O)=C(O)C=C1,"InChI=1S/C19H18O6/c1-9(2)4-5-10-14(24-3)8-13(21)15-16(22)11-6-7-12(20)17(23)19(11)25-18(10)15/h4,6-8,20-21,23H,5H2,1-3H3",RSXHTPBQFVJEBZ,UHFFFAOYSA,N,Dulxanthone A,RSXHTPBQFVJEBZ-UHFFFAOYSA-N
HMDB31993,352.13107375,C21H20O5,COC1=C(CC=C(C)C)C(O)=CC2=C1C1=C(CO2)C2=C(O1)C=C(O)C=C2,"InChI=1S/C21H20O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,22-23H,6,10H2,1-3H3",AEAIWNGAMDGGNB,UHFFFAOYSA,N,Glyurallin A,AEAIWNGAMDGGNB-UHFFFAOYSA-N
HMDB31994,696.205420482,C35H36O15,OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(COC(=O)\C=C\C3=CC=C(O)C=C3)C2O)C(O)C1O,"InChI=1S/C35H36O15/c36-15-27-29(41)30(42)31(50-34-32(43)35(44,17-46-34)16-45-28(40)12-3-18-1-6-20(37)7-2-18)33(49-27)47-22-9-4-19(5-10-22)25-14-24(39)23-11-8-21(38)13-26(23)48-25/h1-13,25,27,29-34,36-38,41-44H,14-17H2/b12-3+",KDXWZGOCBQGWEB,KGVSQERTSA,N,Licorice glycoside D1,KDXWZGOCBQGWEB-KGVSQERTSA-N
HMDB31995,726.215985168,C36H38O16,COC1=C(O)C=CC(\C=C\C(=O)OCC2(O)COC(OC3C(O)C(O)C(CO)OC3OC3=CC=C(C=C3)C3CC(=O)C4=C(O3)C=C(O)C=C4)C2O)=C1,"InChI=1S/C36H38O16/c1-46-27-12-18(2-10-23(27)39)3-11-29(41)47-16-36(45)17-48-35(33(36)44)52-32-31(43)30(42)28(15-37)51-34(32)49-21-7-4-19(5-8-21)25-14-24(40)22-9-6-20(38)13-26(22)50-25/h2-13,25,28,30-35,37-39,42-45H,14-17H2,1H3/b11-3+",GSIREHLZHMQJNR,QDEBKDIKSA,N,Licorice glycoside C1,GSIREHLZHMQJNR-QDEBKDIKSA-N
HMDB31996,693.205754833,C35H35NO14,OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(COC(=O)C3=CNC4=CC=CC=C34)C2O)C(O)C1O,"InChI=1S/C35H35NO14/c37-14-27-28(40)29(41)30(50-34-31(42)35(44,16-46-34)15-45-32(43)22-13-36-23-4-2-1-3-20(22)23)33(49-27)47-19-8-5-17(6-9-19)25-12-24(39)21-10-7-18(38)11-26(21)48-25/h1-11,13,25,27-31,33-34,36-38,40-42,44H,12,14-16H2",GNJDLKNJCWOSBO,UHFFFAOYSA,N,Licorice glycoside E,GNJDLKNJCWOSBO-UHFFFAOYSA-N
HMDB31997,325.167793607,C20H23NO3,CN1C(=O)C2=C(OC(C)(C\C=C\C(C)(C)O)C=C2)C2=CC=CC=C12,"InChI=1S/C20H23NO3/c1-19(2,23)11-7-12-20(3)13-10-15-17(24-20)14-8-5-6-9-16(14)21(4)18(15)22/h5-11,13,23H,12H2,1-4H3/b11-7+",QEKDXAXUTISDJG,YRNVUSSQSA,N,Simulenoline,QEKDXAXUTISDJG-YRNVUSSQSA-N
HMDB31998,341.162708229,C20H23NO4,CN1C(=O)C2=C(OC(C)(C\C=C\C(C)(C)OO)C=C2)C2=CC=CC=C12,"InChI=1S/C20H23NO4/c1-19(2,25-23)11-7-12-20(3)13-10-15-17(24-20)14-8-5-6-9-16(14)21(4)18(15)22/h5-11,13,23H,12H2,1-4H3/b11-7+",SAIWHEDPKCDURN,YRNVUSSQSA,N,Peroxysimulenoline,SAIWHEDPKCDURN-YRNVUSSQSA-N
HMDB31999,367.147846025,C14H25NO10,OCC1C(O)C(O)C2C(O)C(CN12)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C14H25NO10/c16-2-4-8(18)11(21)7-9(19)5(1-15(4)7)24-14-13(23)12(22)10(20)6(3-17)25-14/h4-14,16-23H,1-3H2",KQYACACELNVFOY,UHFFFAOYSA,N,Casuarine 6-alpha-D-glucoside,KQYACACELNVFOY-UHFFFAOYSA-N
HMDB32000,381.164833493,C16H23N5O6,C\C(CO)=C/CNC1=NC=NC2=C1N(C=N2)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16?/m1/s1",HTDHRCLVWUEXIS,OOHPNJKUSA,N,Raphanatin,HTDHRCLVWUEXIS-OOHPNJKUSA-N
HMDB32001,375.350115067,C25H45NO,CCCCCCCCCCCCCCC\C=C\C=C/C(=O)N1CCCCC1,"InChI=1S/C25H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h16-17,19,22H,2-15,18,20-21,23-24H2,1H3/b17-16+,22-19-",TTZBCLRAHANIFC,LFJSVAKUSA,N,"N-(2,4-Eicosadienoyl)piperidine",TTZBCLRAHANIFC-LFJSVAKUSA-N
HMDB32002,1031.530108659,C50H81NO21,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1,"InChI=1S/C50H81NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h5,20-21,23-47,51-63H,6-19H2,1-4H3",BYMOGFTUZUEFHY,UHFFFAOYSA,N,Dehydrotomatine,BYMOGFTUZUEFHY-UHFFFAOYSA-N
HMDB32003,350.15518001,C19H26O4S,CC1C(CCC2=CC(=O)C(CC12C)C(C)=C)OC(=O)\C=C\S(C)=O,"InChI=1S/C19H26O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15,17H,1,6-7,11H2,2-5H3/b9-8+",PUIKQNUXMJPABH,CMDGGOBGSA,N,Eremopetasin sulfoxide,PUIKQNUXMJPABH-CMDGGOBGSA-N
HMDB32004,414.349780716,C28H46O2,CC(C)C(C)CCC(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C,"InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-19,21-25H,7-16H2,1-6H3",VETZNBAGZJYCQT,UHFFFAOYSA,N,"Ergostane-3,6-dione",VETZNBAGZJYCQT-UHFFFAOYSA-N
HMDB32005,410.20932407,C25H30O5,CC(C)=CCC\C(C)=C\CC1=C(CCC(=O)C2=C(O)C=C(O)C=C2)C=CC(O)=C1O,"InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-11-20-18(9-14-23(28)25(20)30)8-13-22(27)21-12-10-19(26)15-24(21)29/h5,7,9-10,12,14-15,26,28-30H,4,6,8,11,13H2,1-3H3/b17-7+",FVNFXIPJDHVJGE,REZTVBANSA,N,"2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone",FVNFXIPJDHVJGE-REZTVBANSA-N
HMDB32006,834.215985168,C45H38O16,OC1CC2=C(O)C(C3C(O)C(OC4=CC(O)=CC=C34)C3=CC(O)=C(O)C=C3)=C(O)C(C3C(O)C(OC4=CC(O)=CC=C34)C3=CC(O)=C(O)C=C3)=C2OC1C1=CC(O)=C(O)C=C1,"InChI=1S/C45H38O16/c46-20-4-6-22-32(14-20)59-43(18-2-9-26(49)29(52)12-18)40(57)34(22)36-38(55)24-16-31(54)42(17-1-8-25(48)28(51)11-17)61-45(24)37(39(36)56)35-23-7-5-21(47)15-33(23)60-44(41(35)58)19-3-10-27(50)30(53)13-19/h1-15,31,34-35,40-44,46-58H,16H2",VYURQCQMACPHRC,UHFFFAOYSA,N,Epifisetinidol-(4beta->8)-epicatechin-(6->4beta)-epifisetinidol,VYURQCQMACPHRC-UHFFFAOYSA-N
HMDB32007,562.147511674,C30H26O11,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=C1C=CC(O)=C3)C1=CC(O)=C(O)C=C1)=C(O)C=C2O,"InChI=1S/C30H26O11/c31-14-3-4-15-24(9-14)40-29(13-2-6-18(33)21(36)8-13)27(39)25(15)26-22(37)11-19(34)16-10-23(38)28(41-30(16)26)12-1-5-17(32)20(35)7-12/h1-9,11,23,25,27-29,31-39H,10H2",CVPALQKJIJFGCD,UHFFFAOYSA,N,Epifisetinidol-(4beta->8)-catechin,CVPALQKJIJFGCD-UHFFFAOYSA-N
HMDB32008,772.206208342,C33H40O21,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(CO)OC2OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2",MGAFCXOXRHSKIA,UHFFFAOYSA,N,Kaempferol 3-sophorotrioside,MGAFCXOXRHSKIA-UHFFFAOYSA-N
HMDB32009,918.26411715,C39H50O25,CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)=C(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C39H50O25/c1-10-21(44)25(48)29(52)36(57-10)56-9-19-23(46)27(50)30(53)38(62-19)59-13-6-16(43)20-17(7-13)60-34(12-3-4-14(41)15(42)5-12)35(24(20)47)64-37-32(55)28(51)33(11(2)58-37)63-39-31(54)26(49)22(45)18(8-40)61-39/h3-7,10-11,18-19,21-23,25-33,36-46,48-55H,8-9H2,1-2H3",QLLBJLPRDZPFEQ,UHFFFAOYSA,N,Quercetin 3-(glucosyl-(1->4)-rhamnoside) 7-rutinoside,QLLBJLPRDZPFEQ-UHFFFAOYSA-N
HMDB32010,348.193674006,C20H28O5,CC12CC(O)CC(C)(C1C(C(O)=O)C13CC(CCC21)C(=C)C3)C(O)=O,"InChI=1S/C20H28O5/c1-10-6-20-7-11(10)4-5-13(20)18(2)8-12(21)9-19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)",SFGDEUSMQMGAFH,UHFFFAOYSA,N,Gibberellin A110,SFGDEUSMQMGAFH-UHFFFAOYSA-N
HMDB32011,348.193674006,C20H28O5,CC12CCCC(C)(C1C(C(O)=O)C13CC(C(O)CC21)C(=C)C3)C(O)=O,"InChI=1S/C20H28O5/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)",RVQCZHZIMZMGAD,UHFFFAOYSA,N,Gibberellin A112,RVQCZHZIMZMGAD-UHFFFAOYSA-N
HMDB32012,154.062994186,C8H10O3,COC1=C(O)C=CC(CO)=C1,"InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3",ZENOXNGFMSCLLL,UHFFFAOYSA,N,4-Hydroxy-3-methoxybenzenemethanol,ZENOXNGFMSCLLL-UHFFFAOYSA-N
HMDB32013,316.115817616,C14H20O8,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(CO)=C1,"InChI=1S/C14H20O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-4,10-19H,5-6H2,1H3",SIMPNXWTAVEOTO,UHFFFAOYSA,N,Vanilloloside,SIMPNXWTAVEOTO-UHFFFAOYSA-N
HMDB32014,148.088815006,C10H12O,CC1=C(C)C(C=O)=C(C)C=C1,"InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-11)9(7)3/h4-6H,1-3H3",NHMDCMLCZRILTI,UHFFFAOYSA,N,"2,3,6-Trimethylbenzaldehyde",NHMDCMLCZRILTI-UHFFFAOYSA-N
HMDB32015,148.088815006,C10H12O,CC1=CC(C)=C(C=O)C=C1C,"InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3",LROJZZICACKNJL,UHFFFAOYSA,N,Duryl aldehyde,LROJZZICACKNJL-UHFFFAOYSA-N
HMDB32016,148.088815006,C10H12O,CC1=CC(C)=C(C=O)C(C)=C1,"InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3",HIKRJHFHGKZKRI,UHFFFAOYSA,N,"2,4,6-Trimethylbenzaldehyde",HIKRJHFHGKZKRI-UHFFFAOYSA-N
HMDB32017,148.088815006,C10H12O,CC1=CC(C=O)=CC(C)=C1C,"InChI=1S/C10H12O/c1-7-4-10(6-11)5-8(2)9(7)3/h4-6H,1-3H3",SYBPMJLJCUCJGM,UHFFFAOYSA,N,"3,4,5-Trimethylbenzaldehyde",SYBPMJLJCUCJGM-UHFFFAOYSA-N
HMDB32018,214.062994186,C13H10O3,OC1=CC=CC=C1C(=O)OC1=CC=CC=C1,"InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H",ZQBAKBUEJOMQEX,UHFFFAOYSA,N,Phenyl salicylate,ZQBAKBUEJOMQEX-UHFFFAOYSA-N
HMDB32019,138.05032101,C8H10S,CC1=CC=CC(C)=C1S,"InChI=1S/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3",QCLJODDRBGKIRW,UHFFFAOYSA,N,"2,6-Dimethylbenzenethiol",QCLJODDRBGKIRW-UHFFFAOYSA-N
HMDB32020,167.094628665,C9H13NO2,CNCCC1=CC(O)=C(O)C=C1,"InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3",NGKZFDYBISXGGS,UHFFFAOYSA,N,4-(beta-Methylaminoethyl)catechol,NGKZFDYBISXGGS-UHFFFAOYSA-N
HMDB32021,408.230059512,C26H32O4,COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)OC,"InChI=1S/C26H32O4/c1-21(13-9-15-23(3)17-19-25(27)29-5)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)30-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15-,24-16+",UNTSJRBZLAUZBX,VFXGIBKTSA,N,cis-Methylbixin,UNTSJRBZLAUZBX-VFXGIBKTSA-N
HMDB32022,498.370910088,C32H50O4,CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O,"InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)",FIWGZIBLJWZUEA,UHFFFAOYSA,N,Tsugaric acid A,FIWGZIBLJWZUEA-UHFFFAOYSA-N
HMDB32023,399.350115067,C27H45NO,CC1C2CCC(C)CN2C2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12,"InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3",JALVTHFTYRPDMB,UHFFFAOYSA,N,3-Epidemissidine,JALVTHFTYRPDMB-UHFFFAOYSA-N
HMDB32024,134.073164942,C9H10O,CCC1=CC=C(C=O)C=C1,"InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3",QNGNSVIICDLXHT,UHFFFAOYSA,N,4-Ethylbenzaldehyde,QNGNSVIICDLXHT-UHFFFAOYSA-N
HMDB32025,162.10446507,C11H14O,CC(C)C1=CC=C(C=C1)C(C)=O,"InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3",PDLCCNYKIIUWHA,UHFFFAOYSA,N,4'-Isopropylacetophenone,PDLCCNYKIIUWHA-UHFFFAOYSA-N
HMDB32026,204.035733578,C10H8N2OS,CON1C2=C(C=NS2)C2=CC=CC=C12,"InChI=1S/C10H8N2OS/c1-13-12-9-5-3-2-4-7(9)8-6-11-14-10(8)12/h2-6H,1H3",MCKJZUFMGOTAKT,UHFFFAOYSA,N,Sinalexin,MCKJZUFMGOTAKT-UHFFFAOYSA-N
HMDB32027,190.099379692,C12H14O2,CC(C)\C=C1\OC(=O)C2=CC=CCC12,"InChI=1S/C12H14O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-4,6-9H,5H2,1-2H3/b11-7+",IVZVUDRUEPCTTL,YRNVUSSQSA,N,"3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone",IVZVUDRUEPCTTL-YRNVUSSQSA-N
HMDB32028,188.083729628,C12H12O2,CC(C)\C=C1\OC(=O)C2=CC=CC=C12,"InChI=1S/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3/b11-7+",LYSNVWBBICAAMS,YRNVUSSQSA,N,(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone,LYSNVWBBICAAMS-YRNVUSSQSA-N
HMDB32029,136.088815006,C9H12O,CC(C)C1=CC=CC=C1O,"InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3",CRBJBYGJVIBWIY,UHFFFAOYSA,N,2-Isopropylphenol,CRBJBYGJVIBWIY-UHFFFAOYSA-N
HMDB32030,166.062994186,C9H10O3,COC1=CC=CC=C1OC(C)=O,"InChI=1S/C9H10O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3",BHJHPYFAYGAPLS,UHFFFAOYSA,N,Guaicyl acetate,BHJHPYFAYGAPLS-UHFFFAOYSA-N
HMDB32031,375.350115067,C25H45NO,CCCCC\C=C\CCCCCCCCCC\C=C\C(=O)N1CCCCC1,"InChI=1S/C25H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h6-7,19,22H,2-5,8-18,20-21,23-24H2,1H3/b7-6+,22-19+",PMZWLEVEIJUNIS,HAQNPCNKSA,N,"N-(2,14-Eicosadienoyl)piperidine",PMZWLEVEIJUNIS-HAQNPCNKSA-N
HMDB32032,361.334465003,C24H43NO,CCCCC\C=C/CCCCCCCC\C=C\C=C\C(=O)NCC(C)C,"InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h8-9,18-21,23H,4-7,10-17,22H2,1-3H3,(H,25,26)/b9-8-,19-18+,21-20+",GQCWFFNZERNJJC,SEXMCKGYSA,N,"2,4,14-Eicosatrienoic acid isobutylamide",GQCWFFNZERNJJC-SEXMCKGYSA-N
HMDB32033,333.303164875,C22H39NO,CCCCC\C=C/CCCCCC\C=C\C=C\C(=O)NCC(C)C,"InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h8-9,16-19,21H,4-7,10-15,20H2,1-3H3,(H,23,24)/b9-8-,17-16+,19-18+",PCWWIOUZYOPZHT,VBUSEHTESA,N,"2,4,12-Octadecatrienoic acid isobutylamide",PCWWIOUZYOPZHT-VBUSEHTESA-N
HMDB32034,345.303164875,C23H39NO,CCCCC\C=C\CCCCCC\C=C/C=C/C(=O)N1CCCCC1,"InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h6-7,14-15,17,20H,2-5,8-13,16,18-19,21-22H2,1H3/b7-6+,15-14-,20-17+",HFWMTBWJCPVZTO,ZQACVTJVSA,N,"2,4,12-Octadecatrienoic acid piperidide",HFWMTBWJCPVZTO-ZQACVTJVSA-N
HMDB32035,216.07864425,C13H12O3,CC(=O)\C=C\C=C/C1=CC2=C(OCO2)C=C1,"InChI=1S/C13H12O3/c1-10(14)4-2-3-5-11-6-7-12-13(8-11)16-9-15-12/h2-8H,9H2,1H3/b4-2+,5-3-",IDYPDRFMVHXYEC,HZDAAVBUSA,N,"6-(3,4-Methylenedioxyphenyl)-3,5-hexadien-2-one",IDYPDRFMVHXYEC-HZDAAVBUSA-N
HMDB32036,138.068079564,C8H10O2,CCOC1=CC=C(O)C=C1,"InChI=1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3",LKVFCSWBKOVHAH,UHFFFAOYSA,N,4-Ethoxyphenol,LKVFCSWBKOVHAH-UHFFFAOYSA-N
HMDB32037,110.036779436,C6H6O2,OC1=CC(O)=CC=C1,"InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H",GHMLBKRAJCXXBS,UHFFFAOYSA,N,"1,3-Benzenediol",GHMLBKRAJCXXBS-UHFFFAOYSA-N
HMDB32038,164.083729628,C10H12O2,CC(C)OC(=O)C1=CC=CC=C1,"InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3",FEXQDZTYJVXMOS,UHFFFAOYSA,N,Isopropyl benzoate,FEXQDZTYJVXMOS-UHFFFAOYSA-N
HMDB32039,212.083729628,C14H12O2,OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H",ISAOCJYIOMOJEB,UHFFFAOYSA,N,Benzoin,ISAOCJYIOMOJEB-UHFFFAOYSA-N
HMDB32040,242.057908808,C14H10O4,O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H,OMPJBNCRMGITSC,UHFFFAOYSA,N,Benzoyl peroxide,OMPJBNCRMGITSC-UHFFFAOYSA-N
HMDB32041,210.10446507,C15H14O,O=C(CCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2",QGGZBXOADPVUPN,UHFFFAOYSA,N,"1,3-Diphenyl-1-propanone",QGGZBXOADPVUPN-UHFFFAOYSA-N
HMDB32042,158.13067982,C9H18O2,CCCCOC(=O)CC(C)C,"InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3",AYWJSCLAAPJZEF,UHFFFAOYSA,N,Butyl 3-methylbutanoate,AYWJSCLAAPJZEF-UHFFFAOYSA-N
HMDB32043,192.115029756,C12H16O2,CC(C)CC(=O)OCC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",HVJKZICIMIWFCP,UHFFFAOYSA,N,Benzyl 3-methylbutanoate,HVJKZICIMIWFCP-UHFFFAOYSA-N
HMDB32044,186.161979948,C11H22O2,CCCCCCOC(=O)CC(C)C,"InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3",RSDDTPVXLMVLQE,UHFFFAOYSA,N,Hexyl 3-methylbutanoate,RSDDTPVXLMVLQE-UHFFFAOYSA-N
HMDB32045,172.146329884,C10H20O2,CCCCCOC(=O)CC(C)C,"InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3",QURFFFCYNQXLCU,UHFFFAOYSA,N,Pentyl 3-methylbutanoate,QURFFFCYNQXLCU-UHFFFAOYSA-N
HMDB32046,144.115029756,C8H16O2,CC(C)CC(=O)OC(C)C,"InChI=1S/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3",ZOIRKXLFEHOVER,UHFFFAOYSA,N,Isopropyl 3-methylbutanoate,ZOIRKXLFEHOVER-UHFFFAOYSA-N
HMDB32047,144.115029756,C8H16O2,CCCOC(=O)CC(C)C,"InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3",LSJMDWFAADPNAX,UHFFFAOYSA,N,Propyl 3-methylbutanoate,LSJMDWFAADPNAX-UHFFFAOYSA-N
HMDB32048,236.177630012,C15H24O2,CC(C)(C)C1=CC(CO)=CC(=C1O)C(C)(C)C,"InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3",HNURKXXMYARGAY,UHFFFAOYSA,N,"2,6-Di-tert-butyl-4-hydroxymethylphenol",HNURKXXMYARGAY-UHFFFAOYSA-N
HMDB32049,182.073164942,C13H10O,O=C(C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,RWCCWEUUXYIKHB,UHFFFAOYSA,N,Benzophenone,RWCCWEUUXYIKHB-UHFFFAOYSA-N
HMDB32050,182.13067982,C11H18O2,CC1=CCC(CC1)C(C)(C)OC=O,"InChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3",IPYLQIQMGUZFCK,UHFFFAOYSA,N,alpha-Terpineol formate,IPYLQIQMGUZFCK-UHFFFAOYSA-N
HMDB32051,196.146329884,C12H20O2,CC(=O)OC(C)(C)C1CCC(C)=CC1,"InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3",IGODOXYLBBXFDW,UHFFFAOYSA,N,alpha-Terpineol acetate,IGODOXYLBBXFDW-UHFFFAOYSA-N
HMDB32052,210.161979948,C13H22O2,CCC(=O)OC(C)(C)C1CCC(C)=CC1,"InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3",CMKQOKAXUWQAHG,UHFFFAOYSA,N,alpha-Terpineol propanoate,CMKQOKAXUWQAHG-UHFFFAOYSA-N
HMDB32053,224.177630012,C14H24O2,CCCC(=O)OC(C)(C)C1CCC(C)=CC1,"InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3",LWKWNIYBQLKBMQ,UHFFFAOYSA,N,alpha-Terpineol butanoate,LWKWNIYBQLKBMQ-UHFFFAOYSA-N
HMDB32054,238.193280076,C15H26O2,CCCCC(=O)OC(C)(C)C1CCC(C)=CC1,"InChI=1S/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h8,13H,5-7,9-11H2,1-4H3",GIHNOWFSKYCHNL,UHFFFAOYSA,N,alpha-Terpinyl pentanoate,GIHNOWFSKYCHNL-UHFFFAOYSA-N
HMDB32055,197.080041233,C8H11N3O3,CC(=O)NC(CC1=CNC=N1)C(O)=O,"InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)",KBOJOGQFRVVWBH,UHFFFAOYSA,N,N-Acetylhistidine,KBOJOGQFRVVWBH-UHFFFAOYSA-N
HMDB32056,268.109944378,C17H16O3,COC1=C(OC(=O)C2=CC=CC=C2)C=CC(CC=C)=C1,"InChI=1S/C17H16O3/c1-3-7-13-10-11-15(16(12-13)19-2)20-17(18)14-8-5-4-6-9-14/h3-6,8-12H,1,7H2,2H3",ZOGNBLKDKPCKGB,UHFFFAOYSA,N,Eugenyl benzoate,ZOGNBLKDKPCKGB-UHFFFAOYSA-N
HMDB32057,180.042258744,C9H8O4,OC(=O)C=CC1=C(O)C(O)=CC=C1,"InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)",SIUKXCMDYPYCLH,UHFFFAOYSA,N,"(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid",SIUKXCMDYPYCLH-UHFFFAOYSA-N
HMDB32058,254.13067982,C17H18O2,COC1=C(OCC2=CC=CC=C2)C=CC(\C=C/C)=C1,"InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-",YKSSSKBJDZDZTD,CLTKARDFSA,N,Isoeugenol benzyl ether,YKSSSKBJDZDZTD-CLTKARDFSA-N
HMDB32059,171.952377429,C6H5BrO,OC1=CC=CC=C1Br,"InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H",VADKRMSMGWJZCF,UHFFFAOYSA,N,2-Bromophenol,VADKRMSMGWJZCF-UHFFFAOYSA-N
HMDB32060,164.120115134,C11H16O,CCCCC1=C(O)C=CC(C)=C1,"InChI=1S/C11H16O/c1-3-4-5-10-8-9(2)6-7-11(10)12/h6-8,12H,3-5H2,1-2H3",FEXBEKLLSUWSIM,UHFFFAOYSA,N,2-Butyl-4-methylphenol,FEXBEKLLSUWSIM-UHFFFAOYSA-N
HMDB32061,188.083729628,C12H12O2,CCC\C=C1\OC(=O)C2=CC=CC=C12,"InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+",WMBOCUXXNSOQHM,DHZHZOJOSA,N,3-Butylidene-1(3H)-isobenzofuranone,WMBOCUXXNSOQHM-DHZHZOJOSA-N
HMDB32062,166.099379692,C10H14O2,CC(C)(C)C1=CC(O)=CC=C1O,"InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3",BGNXCDMCOKJUMV,UHFFFAOYSA,N,"2-tert-Butyl-1,4-benzenediol",BGNXCDMCOKJUMV-UHFFFAOYSA-N
HMDB32063,150.10446507,C10H14O,CC(C)(C)C1=CC=C(O)C=C1,"InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3",QHPQWRBYOIRBIT,UHFFFAOYSA,N,4-tert-Butylphenol,QHPQWRBYOIRBIT-UHFFFAOYSA-N
HMDB32064,190.099379692,C12H14O2,CCCCC1OC(=O)C2=C1C=CC=C2,"InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3",HJXMNVQARNZTEE,UHFFFAOYSA,N,(S)-3-Butyl-1(3H)-isobenzofuranone,HJXMNVQARNZTEE-UHFFFAOYSA-N
HMDB32065,256.240230268,C16H32O2,CCCCCCCCCCCC(=O)OCCCC,"InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3",NDKYEUQMPZIGFN,UHFFFAOYSA,N,Butyl dodecanoate,NDKYEUQMPZIGFN-UHFFFAOYSA-N
HMDB32066,212.094963016,C13H12N2O,O=C(NC1=CC=CC=C1)NC1=CC=CC=C1,"InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)",GWEHVDNNLFDJLR,UHFFFAOYSA,N,Carbanilide,GWEHVDNNLFDJLR-UHFFFAOYSA-N
HMDB32067,126.068079564,C7H10O2,C\C=C/C(=O)OCC=C,"InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-5H,2,6H2,1H3/b5-3-",WNJBUWVXSNLWEQ,HYXAFXHYSA,N,Allyl crotonate,WNJBUWVXSNLWEQ-HYXAFXHYSA-N
HMDB32068,948.529380378,C47H80O19,CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C47H80O19/c1-42(2,60)12-9-13-47(8,66-40-36(59)33(56)31(54)25(18-48)63-40)21-10-15-45(6)29(21)22(50)16-27-44(5)14-11-28(52)43(3,4)38(44)24(17-46(27,45)7)62-41-37(34(57)32(55)26(19-49)64-41)65-39-35(58)30(53)23(51)20-61-39/h9,12,21-41,48-60H,10-11,13-20H2,1-8H3/b12-9+",BIRZHRCAUBJIEK,FMIVXFBMSA,N,Notoginsenoside H,BIRZHRCAUBJIEK-FMIVXFBMSA-N
HMDB32069,1033.506870797,C53H79NO17S,CC1CC2OC3CC4OC(=O)C=C(C)C4OC3(C)CC2OC2CCC3(C)OC4(C)CC5OC6CC7OC8(C)C(O)CC(CC(CO)CS(=O)CC(N)C(O)=O)OC8CC7OC6\C=C/CC5(C)OC4CC3OC12,"InChI=1S/C53H79NO17S/c1-26-13-33-38(21-51(5)40(64-33)19-37-47(70-51)27(2)14-45(57)66-37)63-32-10-12-50(4)41(67-46(26)32)20-42-52(6,71-50)22-44-49(3,69-42)11-8-9-31-34(65-44)17-36-35(62-31)18-43-53(7,68-36)39(56)16-29(61-43)15-28(23-55)24-72(60)25-30(54)48(58)59/h8-9,14,26,28-44,46-47,55-56H,10-13,15-25,54H2,1-7H3,(H,58,59)/b9-8-",JQZZSWFXESQFCL,HJWRWDBZSA,N,Brevetoxin B2,JQZZSWFXESQFCL-HJWRWDBZSA-N
HMDB32070,172.146329884,C10H20O2,CC(C)CCCC(C)OC(C)=O,"InChI=1S/C10H20O2/c1-8(2)6-5-7-9(3)12-10(4)11/h8-9H,5-7H2,1-4H3",JNRDWRMJYGDQQE,UHFFFAOYSA,N,Isooctyl acetate,JNRDWRMJYGDQQE-UHFFFAOYSA-N
HMDB32072,132.057514878,C9H8O,O=C\C=C/C1=CC=CC=C1,InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4-,KJPRLNWUNMBNBZ,DAXSKMNVSA,N,(Z)-3-Phenyl-2-propenal,KJPRLNWUNMBNBZ-DAXSKMNVSA-N
HMDB32073,150.068079564,C9H10O2,CC(=O)OC1=CC=CC=C1C,"InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3",AMZORBZSQRUXNC,UHFFFAOYSA,N,o-Tolyl acetate,AMZORBZSQRUXNC-UHFFFAOYSA-N
HMDB32074,122.073164942,C8H10O,COC1=CC=CC=C1C,"InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3",DTFKRVXLBCAIOZ,UHFFFAOYSA,N,1-Methoxy-2-methylbenzene,DTFKRVXLBCAIOZ-UHFFFAOYSA-N
HMDB32075,150.068079564,C9H10O2,CC(=O)OC1=CC=C(C)C=C1,"InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3",CDJJKTLOZJAGIZ,UHFFFAOYSA,N,p-Tolyl acetate,CDJJKTLOZJAGIZ-UHFFFAOYSA-N
HMDB32076,122.073164942,C8H10O,COC1=CC=C(C)C=C1,"InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",CHLICZRVGGXEOD,UHFFFAOYSA,N,1-Methoxy-4-methylbenzene,CHLICZRVGGXEOD-UHFFFAOYSA-N
HMDB32077,246.053691828,C14H14S2,C(SSCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2",GVPWHKZIJBODOX,UHFFFAOYSA,N,Dibenzyl disulfide,GVPWHKZIJBODOX-UHFFFAOYSA-N
HMDB32078,198.10446507,C14H14O,C(OCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2",MHDVGSVTJDSBDK,UHFFFAOYSA,N,Dibenzyl ether,MHDVGSVTJDSBDK-UHFFFAOYSA-N
HMDB32079,249.862890044,C6H4Br2O,OC1=C(Br)C=C(Br)C=C1,"InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",FAXWFCTVSHEODL,UHFFFAOYSA,N,"2,4-Dibromophenol",FAXWFCTVSHEODL-UHFFFAOYSA-N
HMDB32080,249.862890044,C6H4Br2O,OC1=C(Br)C=CC=C1Br,"InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H",SSIZLKDLDKIHEV,UHFFFAOYSA,N,"2,6-Dibromophenol",SSIZLKDLDKIHEV-UHFFFAOYSA-N
HMDB32081,234.161979948,C15H22O2,CC1C2C3C(CC1=O)C2(C)CCC(=O)C3(C)C,"InChI=1S/C15H22O2/c1-8-10(16)7-9-13-12(8)15(9,4)6-5-11(17)14(13,2)3/h8-9,12-13H,5-7H2,1-4H3",PZYLIQGFDJFRCZ,UHFFFAOYSA,N,"4,10-Longipinanedione",PZYLIQGFDJFRCZ-UHFFFAOYSA-N
HMDB32082,390.167853186,C21H26O7,COC(=O)C(=C/C1=C(C(O)=O)C23CCCC(C)(C)C2C(OC3=O)C1=O)\C(C)C,"InChI=1S/C21H26O7/c1-10(2)11(18(25)27-5)9-12-13(17(23)24)21-8-6-7-20(3,4)16(21)15(14(12)22)28-19(21)26/h9-10,15-16H,6-8H2,1-5H3,(H,23,24)/b11-9-",CAXSJVGHYYBJKT,LUAWRHEFSA,N,Rosmic acid,CAXSJVGHYYBJKT-LUAWRHEFSA-N
HMDB32083,396.33921603,C28H44O,CCC(=C)CCC(C)C1CCC2(C)C3CCC4CC(=O)CCC44CC34CCC12C,"InChI=1S/C28H44O/c1-6-19(2)7-8-20(3)23-12-13-26(5)24-10-9-21-17-22(29)11-14-27(21)18-28(24,27)16-15-25(23,26)4/h20-21,23-24H,2,6-18H2,1,3-5H3",AYBINZCECLKGHP,UHFFFAOYSA,N,24-Methylenepollinastanone,AYBINZCECLKGHP-UHFFFAOYSA-N
HMDB32084,426.349780716,C29H46O2,CC(CCC(=O)C(C)C)C1CCC2(C)C3CCC4C(C)C(=O)CCC44CC34CCC12C,"InChI=1S/C29H46O2/c1-18(2)23(30)9-7-19(3)21-11-13-27(6)25-10-8-22-20(4)24(31)12-14-28(22)17-29(25,28)16-15-26(21,27)5/h18-22,25H,7-17H2,1-6H3",PDLGLIDWBYGRQN,UHFFFAOYSA,N,"29-Norcycloartane-3,24-dione",PDLGLIDWBYGRQN-UHFFFAOYSA-N
HMDB32085,241.073893223,C14H11NO3,COC1=CC2=C(C=C1)C1=C(N2)C(=O)C=C(C)C1=O,"InChI=1S/C14H11NO3/c1-7-5-11(16)13-12(14(7)17)9-4-3-8(18-2)6-10(9)15-13/h3-6,15H,1-2H3",FBXPHUZRLGTRFW,UHFFFAOYSA,N,Koeniginequinone A,FBXPHUZRLGTRFW-UHFFFAOYSA-N
HMDB32086,628.455033646,C35H64O9,CCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCC(O)C(O)CCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H64O9/c1-3-4-5-6-7-8-9-10-11-12-15-29(37)32(40)20-21-33(41)34-22-18-28(44-34)14-13-16-30(38)31(39)19-17-27(36)24-26-23-25(2)43-35(26)42/h23,25,27-34,36-41H,3-22,24H2,1-2H3",VYEJYURNQIJVJU,UHFFFAOYSA,N,Muricoreacin,VYEJYURNQIJVJU-UHFFFAOYSA-N
HMDB32087,480.454245786,C31H60O3,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC(O)CCCC,"InChI=1S/C31H60O3/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-26-30(33)28-31(34)27-23-20-17-16-18-21-25-29(32)24-6-4-2/h29,32H,3-28H2,1-2H3",BQZSEOUERJHFRS,UHFFFAOYSA,N,"5-Hydroxy-14,16-hentriacontanedione",BQZSEOUERJHFRS-UHFFFAOYSA-N
HMDB32088,622.480854466,C37H66O7,CCCCCCCCCCC1OC(CCC1O)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-5-6-7-12-15-18-21-33-32(40)22-23-35(43-33)36-25-24-34(44-36)31(39)20-17-14-11-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3",MAHVNJPZHYFHHE,UHFFFAOYSA,N,Jimenezin,MAHVNJPZHYFHHE-UHFFFAOYSA-N
HMDB32089,612.460119024,C35H64O8,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCC(O)CCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-19-31(39)33-22-23-34(43-33)32(40)21-20-29(37)17-13-15-28(36)16-14-18-30(38)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3",OGJFDIKXSQSEIB,UHFFFAOYSA,N,Muricapentocin,OGJFDIKXSQSEIB-UHFFFAOYSA-N
HMDB32090,264.172544634,C16H24O3,CC\C=C\CC1C(CCCCCC(O)=O)C=CC1=O,"InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/b5-3+",SZVNKXCDJUBPQO,HWKANZROSA,N,"12-Oxo-2,3-dinor-10,15-phytodienoic acid",SZVNKXCDJUBPQO-HWKANZROSA-N
HMDB32091,596.465204402,C35H64O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(36)18-15-12-11-13-16-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3",DRFBUADSYRWIKE,UHFFFAOYSA,N,Glacin B,DRFBUADSYRWIKE-UHFFFAOYSA-N
HMDB32092,596.465204402,C35H64O7,CCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-12-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-10-9-11-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3",WRQFJAQUJPZSCT,UHFFFAOYSA,N,Glacin A,WRQFJAQUJPZSCT-UHFFFAOYSA-N
HMDB32093,364.297745146,C23H40O3,CC(C)CCCCCCCCCCCCCCCC1=C(O)C=COC1=O,"InChI=1S/C23H40O3/c1-20(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-22(24)18-19-26-23(21)25/h18-20,24H,3-17H2,1-2H3",XEKYYIHOWASTHE,UHFFFAOYSA,N,4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-one,XEKYYIHOWASTHE-UHFFFAOYSA-N
HMDB32094,564.475375158,C35H64O5,CCCCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H64O5/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-12-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3",UYZAPRRSXWLQCO,UHFFFAOYSA,N,Panatellin,UYZAPRRSXWLQCO-UHFFFAOYSA-N
HMDB32095,362.20932407,C21H30O5,COC1=CC(=O)OC1(O)C(=O)CCCCCCC\C=C\C\C=C\CC=C,"InChI=1S/C21H30O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(22)21(24)19(25-2)17-20(23)26-21/h3,5-6,8-9,17,24H,1,4,7,10-16H2,2H3/b6-5+,9-8+",HSXROUAAHWNUBX,HHWLVVFRSA,N,"5-Hydroxy-4-methoxy-5-(1-oxo-9,12,15-hexadecatrienyl)-2(5H)-furanone",HSXROUAAHWNUBX-HHWLVVFRSA-N
HMDB32096,1481.910904197,C74H123N13O18,CCC(C)C1NC(=O)C(C(C)C)N(C)C(=O)C2CC3(O)C(NC4=C3C=CC=C4)N2C(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(NC(=O)C(O)N(C)C(=O)C(C(C)C(C)OC(=O)CC(C)(C)O)N(C)C(=O)C(N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)(C)O)C(C)C,"InChI=1S/C74H123N13O18/c1-28-42(11)53-64(95)82(23)56(41(9)10)67(98)83(24)55(40(7)8)65(96)78(19)36-49(88)80(21)59(73(17,18)103)69(100)85(26)58(44(13)45(14)105-51(90)35-72(15,16)102)68(99)86(27)70(101)61(92)76-52(38(3)4)63(94)84(25)57(43(12)29-2)66(97)79(20)37-50(89)87-48(62(93)81(22)54(39(5)6)60(91)77-53)34-74(104)46-32-30-31-33-47(46)75-71(74)87/h30-33,38-45,48,52-59,70-71,75,101-104H,28-29,34-37H2,1-27H3,(H,76,92)(H,77,91)",OXFJMJABEYYCPG,UHFFFAOYSA,N,Omphalotin B,OXFJMJABEYYCPG-UHFFFAOYSA-N
HMDB32097,622.480854466,C37H66O7,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3",KGGVWMAPBXIMEM,UHFFFAOYSA,N,"2,4-cis-Trilobacinone",KGGVWMAPBXIMEM-UHFFFAOYSA-N
HMDB32098,210.161979948,C13H22O2,CCCCCCCCC1OC(C)=CC1=O,"InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-13-12(14)10-11(2)15-13/h10,13H,3-9H2,1-2H3",ZLLDSWALGJWTSW,UHFFFAOYSA,N,Cepanone,ZLLDSWALGJWTSW-UHFFFAOYSA-N
HMDB32099,420.251188884,C24H36O6,COC(=O)\C=C(\OC)C(=O)C(CCCCCCC\C=C\C\C=C\CC=C)C(=O)OC,"InChI=1S/C24H36O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24(27)30-4)23(26)21(28-2)19-22(25)29-3/h5,7-8,10-11,19-20H,1,6,9,12-18H2,2-4H3/b8-7+,11-10+,21-19+",DSALQCDYXNDYHC,ZMEURTSISA,N,"Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate",DSALQCDYXNDYHC-ZMEURTSISA-N
HMDB32100,1523.921468883,C76H125N13O19,CCC(C)C1NC(=O)C(C(C)C)N(C)C(=O)C2CC3(O)C(NC4=C3C=CC=C4)N2C(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(NC(=O)C(OC(C)=O)N(C)C(=O)C(C(C)C(C)OC(=O)CC(C)(C)O)N(C)C(=O)C(N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)(C)O)C(C)C,"InChI=1S/C76H125N13O19/c1-29-43(11)55-66(98)84(24)58(42(9)10)69(101)85(25)57(41(7)8)67(99)80(20)37-51(91)82(22)61(75(18,19)105)71(103)87(27)60(45(13)46(14)107-53(93)36-74(16,17)104)70(102)88(28)72(108-47(15)90)63(95)78-54(39(3)4)65(97)86(26)59(44(12)30-2)68(100)81(21)38-52(92)89-50(64(96)83(23)56(40(5)6)62(94)79-55)35-76(106)48-33-31-32-34-49(48)77-73(76)89/h31-34,39-46,50,54-61,72-73,77,104-106H,29-30,35-38H2,1-28H3,(H,78,95)(H,79,94)",NYCXYCGYQNIQSJ,UHFFFAOYSA,N,Omphalotin C,NYCXYCGYQNIQSJ-UHFFFAOYSA-N
HMDB32101,1465.879604069,C73H119N13O18,CCC(C)C1NC(=O)C(C(C)C)N(C)C(=O)C2CC3(O)C(NC4=C3C=CC=C4)N2C(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(NC(=O)C(OC(C)=O)N(C)C(=O)C(C(C)C(C)OC(C)=O)N(C)C(=O)C(N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)(C)O)C(C)C,"InChI=1S/C73H119N13O18/c1-28-41(11)53-64(95)81(23)56(40(9)10)67(98)82(24)55(39(7)8)65(96)77(19)35-50(89)79(21)59(72(17,18)101)69(100)84(26)58(43(13)44(14)103-45(15)87)68(99)85(27)70(104-46(16)88)61(92)75-52(37(3)4)63(94)83(25)57(42(12)29-2)66(97)78(20)36-51(90)86-49(62(93)80(22)54(38(5)6)60(91)76-53)34-73(102)47-32-30-31-33-48(47)74-71(73)86/h30-33,37-44,49,52-59,70-71,74,101-102H,28-29,34-36H2,1-27H3,(H,75,92)(H,76,91)",LZXREDXOPNVYFH,UHFFFAOYSA,N,Omphalotin D,LZXREDXOPNVYFH-UHFFFAOYSA-N
HMDB32102,260.079706882,C13H12N2O4,OC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1)C(O)=O,"InChI=1S/C13H12N2O4/c16-12(17)9-5-7-6-3-1-2-4-8(6)14-10(7)11(15-9)13(18)19/h1-4,9,11,14-15H,5H2,(H,16,17)(H,18,19)",ZWMZDKZTZLGVRQ,UHFFFAOYSA,N,"1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid",ZWMZDKZTZLGVRQ-UHFFFAOYSA-N
HMDB32103,612.460119024,C35H64O8,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CC(O)CCCCCC(O)CCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)33-21-22-34(43-33)32(40)25-29(37)17-14-12-13-16-28(36)19-20-30(38)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3",BUCMIVANQORDFI,UHFFFAOYSA,N,Muricatalicin,BUCMIVANQORDFI-UHFFFAOYSA-N
HMDB32104,622.480854466,C37H66O7,CCCCCCCCCC\C=C\CCC(O)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-33(39)34(40)24-25-35(41)36-26-23-32(44-36)21-18-15-13-14-17-20-31(38)28-30-27-29(2)43-37(30)42/h12,16,27,29,31-36,38-41H,3-11,13-15,17-26,28H2,1-2H3/b16-12+",OOKJEMBYFZCLNC,FOWTUZBSSA,N,Glabranin,OOKJEMBYFZCLNC-FOWTUZBSSA-N
HMDB32105,376.152203122,C20H24O7,C\C=C(/C)C(=O)OC1CC2(C)OC(O)(C=C2)\C(CO)=C\C2OC(=O)C(=C)C12,"InChI=1S/C20H24O7/c1-5-11(2)17(22)26-15-9-19(4)6-7-20(24,27-19)13(10-21)8-14-16(15)12(3)18(23)25-14/h5-8,14-16,21,24H,3,9-10H2,1-2,4H3/b11-5+,13-8+",ZXQIVEHVNKQIIU,PZLJUMJASA,N,"1,2-Anhydridoniveusin",ZXQIVEHVNKQIIU-PZLJUMJASA-N
HMDB32106,410.318480588,C28H42O2,CC(C)C(C)\C=C\C(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)CC1=CC3=O,"InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-23,29H,9-15H2,1-6H3/b8-7+",UOHNARRKDSHFLD,BQYQJAHWSA,N,"(3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one",UOHNARRKDSHFLD-BQYQJAHWSA-N
HMDB32107,446.33960996,C28H46O4,CC(C)C(C)\C=C\C(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)CC1(O)C(O)C3O,"InChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h7-8,16-21,24-25,29-32H,9-15H2,1-6H3/b8-7+",JYZONTNDJOOGSM,BQYQJAHWSA,N,"(3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol",JYZONTNDJOOGSM-BQYQJAHWSA-N
HMDB32108,428.329045274,C28H44O3,CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3=CCC12C,"InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,12,15,17-20,22-23,25,29-31H,9-11,13-14,16H2,1-6H3/b8-7+",FMEOHNKBCMQEEH,BQYQJAHWSA,N,"(3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol",FMEOHNKBCMQEEH-BQYQJAHWSA-N
HMDB32109,271.084457909,C15H13NO4,COC1=C(OC)C=C2C(NC3=C2C(=O)C(C)=CC3=O)=C1,"InChI=1S/C15H13NO4/c1-7-4-10(17)14-13(15(7)18)8-5-11(19-2)12(20-3)6-9(8)16-14/h4-6,16H,1-3H3",NIRRSVHUEHTZSM,UHFFFAOYSA,N,Koeniginequinone B,NIRRSVHUEHTZSM-UHFFFAOYSA-N
HMDB32110,328.154883197,C19H22NO4,COC1=C(O)C=C2C(CC3C4=CC(O)=C(OC)C=C4CC[N+]23C)=C1,"InChI=1S/C19H21NO4/c1-20-5-4-11-7-18(23-2)16(21)9-13(11)15(20)6-12-8-19(24-3)17(22)10-14(12)20/h7-10,15H,4-6H2,1-3H3,(H-,21,22)/p+1",CWKRVCVOEADAEH,UHFFFAOYSA,O,Litcubine,CWKRVCVOEADAEH-UHFFFAOYSA-O
HMDB32111,482.33960996,C31H46O4,CCC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O,"InChI=1S/C31H46O4/c1-11-24(10)26(32)25-27(33)30(16-12-20(2)3,17-13-21(4)5)29(35)31(28(25)34,18-14-22(6)7)19-15-23(8)9/h12-15,24,33H,11,16-19H2,1-10H3",NHAJHKARKKFXMR,UHFFFAOYSA,N,Adlupone,NHAJHKARKKFXMR-UHFFFAOYSA-N
HMDB32112,316.297745146,C19H40O3,CCCCCCCCCCCCCCCC(O)CC(O)CO,"InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20/h18-22H,2-17H2,1H3",BADVLZPPYIABDS,UHFFFAOYSA,N,"1,2,4-Nonadecanetriol",BADVLZPPYIABDS-UHFFFAOYSA-N
HMDB32113,638.475769088,C37H66O8,CCCCCCCCCCC(O)C(O)CCCCC1CCC(O1)C1CCC(O1)C(O)CCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-9-12-18-31(39)32(40)19-15-14-17-30-21-22-35(44-30)36-24-23-34(45-36)33(41)20-13-10-11-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3",CXWUDOBKRFRXAX,UHFFFAOYSA,N,Glabracin A,CXWUDOBKRFRXAX-UHFFFAOYSA-N
HMDB32114,646.231516074,C38H34N2O8,CN1C2=C(C=CC=C2O)C(=O)C2=C1C1=C(OC(C)(C)C=C1)C(C1CC(C)(C)OC3=C1C1=C(C(O)=C3)C(=O)C3=C(N1C)C(O)=CC=C3)=C2O,"InChI=1S/C38H34N2O8/c1-37(2)14-13-19-31-28(34(45)18-10-8-11-21(41)29(18)39(31)5)35(46)26(36(19)48-37)20-16-38(3,4)47-24-15-23(43)27-32(25(20)24)40(6)30-17(33(27)44)9-7-12-22(30)42/h7-15,20,41-43,46H,16H2,1-6H3",PIZIMOGOEZLCMG,UHFFFAOYSA,N,Bis(5-hydroxynoracronycine),PIZIMOGOEZLCMG-UHFFFAOYSA-N
HMDB32115,180.010112454,C6H12S3,CSC(C)SSCC=C,"InChI=1S/C6H12S3/c1-4-5-8-9-6(2)7-3/h4,6H,1,5H2,2-3H3",JLUAARRGSDKZGD,UHFFFAOYSA,N,1-(Methylthio)ethyl 2-propenyl disulfide,JLUAARRGSDKZGD-UHFFFAOYSA-N
HMDB32116,250.120509064,C14H18O4,CC(C(O)\C=C\C(C)=O)C1=C(O)C=C(C)C(O)=C1,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3/b5-4+",QUWXRNSZOIJARN,SNAWJCMRSA,N,Helinorbisabone,QUWXRNSZOIJARN-SNAWJCMRSA-N
HMDB32117,428.401816286,C30H52O,CC(C)=CCCC1(C)CCC2(C)C3CCC(C(CCCO)C3(C)CCC2(C)C1)=C(C)C,"InChI=1S/C30H52O/c1-22(2)11-9-15-27(5)16-19-30(8)26-14-13-24(23(3)4)25(12-10-20-31)29(26,7)18-17-28(30,6)21-27/h11,25-26,31H,9-10,12-21H2,1-8H3",GEDCRNDZBLEQJG,UHFFFAOYSA,N,Sasanquol,GEDCRNDZBLEQJG-UHFFFAOYSA-N
HMDB32118,154.135765198,C10H18O,CC(C)C(=O)CCC(C)C=C,"InChI=1S/C10H18O/c1-5-9(4)6-7-10(11)8(2)3/h5,8-9H,1,6-7H2,2-4H3",YKQHXMHPGBDHLV,UHFFFAOYSA,N,"2,6-Dimethyl-7-octen-3-one",YKQHXMHPGBDHLV-UHFFFAOYSA-N
HMDB32119,170.13067982,C10H18O2,CC(C)C(=O)C(O)CC(C)C=C,"InChI=1S/C10H18O2/c1-5-8(4)6-9(11)10(12)7(2)3/h5,7-9,11H,1,6H2,2-4H3",HMGXDXWZMSVPMW,UHFFFAOYSA,N,"4-Hydroxy-2,6-dimethyl-7-octen-3-one",HMGXDXWZMSVPMW-UHFFFAOYSA-N
HMDB32120,152.120115134,C10H16O,CC(CCC(=O)C(C)=C)C=C,"InChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5,9H,1-2,6-7H2,3-4H3",VVGFGPNQFFVNKV,UHFFFAOYSA,N,"2,6-Dimethyl-1,7-octadien-3-one",VVGFGPNQFFVNKV-UHFFFAOYSA-N
HMDB32121,222.125594442,C13H18O3,CC(=O)\C=C\C1C2(C)COC1(C)CC(=O)C2,"InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3/b5-4+",LYMNQFZEIGCRGT,SNAWJCMRSA,N,Annuionone B,LYMNQFZEIGCRGT-SNAWJCMRSA-N
HMDB32122,252.172544634,C15H24O3,CC12CCC(O)C11CC(CC2)C2(C)COC1(C)O2,"InChI=1S/C15H24O3/c1-12-6-4-10-8-15(12,11(16)5-7-12)14(3)17-9-13(10,2)18-14/h10-11,16H,4-9H2,1-3H3",LKEZYVLTHMLNIH,UHFFFAOYSA,N,"3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol",LKEZYVLTHMLNIH-UHFFFAOYSA-N
HMDB32123,446.33960996,C28H46O4,CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3(O)CCC12C,"InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+",NYMHFYDQBMRBMB,BQYQJAHWSA,N,"(3beta,5alpha,6alpha,9alpha,22E,24R)-Ergosta-7,22-diene-3,5,6,9-tetrol",NYMHFYDQBMRBMB-BQYQJAHWSA-N
HMDB32124,181.989377012,C5H10OS3,CSS\C=C\CS(C)=O,"InChI=1S/C5H10OS3/c1-7-8-4-3-5-9(2)6/h3-4H,5H2,1-2H3/b4-3+",CXAHNLQTKCEOAB,ONEGZZNKSA,N,(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide,CXAHNLQTKCEOAB-ONEGZZNKSA-N
HMDB32125,480.454245786,C31H60O3,CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC(O)CCCCCC,"InChI=1S/C31H60O3/c1-3-5-7-9-10-11-12-13-14-18-22-26-30(33)28-31(34)27-23-19-16-15-17-21-25-29(32)24-20-8-6-4-2/h29,32H,3-28H2,1-2H3",MBWYKVFQDJGFDD,UHFFFAOYSA,N,"(S)-25-Hydroxy-14,16-hentriacontanedione",MBWYKVFQDJGFDD-UHFFFAOYSA-N
HMDB32126,556.464416542,C40H60O,CC(C)=CCC\C(C)=C/CC\C(C)=C\C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)CC\C=C(\C)CCC1OC1(C)C,"InChI=1S/C40H60O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14-15,18-20,22-26,29,39H,13,16-17,21,27-28,30-31H2,1-10H3/b12-11+,22-14-,23-15+,33-19+,34-20+,35-24-,36-25+,37-26-,38-29-",WQKGZVZKMBRSEI,KSUSXTEYSA,N,zeta-Carotene epoxide,WQKGZVZKMBRSEI-KSUSXTEYSA-N
HMDB32127,351.914688823,C14H9Cl5,ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl,"InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H",YVGGHNCTFXOJCH,UHFFFAOYSA,N,Clofenotane,YVGGHNCTFXOJCH-UHFFFAOYSA-N
HMDB32128,180.07864425,C10H12O3,CCCC(=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C10H12O3/c1-2-3-9(12)8-5-4-7(11)6-10(8)13/h4-6,11,13H,2-3H2,1H3",IWADIQGGJLCBRK,UHFFFAOYSA,N,"1-(2,4-Dihydroxyphenyl)-1-butanone",IWADIQGGJLCBRK-UHFFFAOYSA-N
HMDB32129,240.07864425,C15H12O3,OC1=CC(C(=O)\C=C\C2=CC=CC=C2)=C(O)C=C1,"InChI=1S/C15H12O3/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,16,18H/b8-6+",PZVRZRARFZZBCA,SOFGYWHQSA,N,"2',5'-Dihydroxychalcone",PZVRZRARFZZBCA-SOFGYWHQSA-N
HMDB32130,240.07864425,C15H12O3,OC1=C(O)C=C(C=C1)C(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C15H12O3/c16-13(8-6-11-4-2-1-3-5-11)12-7-9-14(17)15(18)10-12/h1-10,17-18H/b8-6+",WYUBYHGDUPOTPG,SOFGYWHQSA,N,"3',4'-Dihydroxychalcone",WYUBYHGDUPOTPG-SOFGYWHQSA-N
HMDB32131,180.042258744,C9H8O4,OC(=O)\C=C/C1=CC(O)=CC(O)=C1,"InChI=1S/C9H8O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5,10-11H,(H,12,13)/b2-1-",MFFCZSWTQMCKFP,UPHRSURJSA,N,"3-(3,5-Dihydroxyphenyl)-2-propenoic acid",MFFCZSWTQMCKFP-UPHRSURJSA-N
HMDB32132,152.083729628,C9H12O2,CC(C)C1=C(O)C=CC(O)=C1,"InChI=1S/C9H12O2/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,10-11H,1-2H3",HIGSPBFIOSHWQG,UHFFFAOYSA,N,"2-Isopropyl-1,4-benzenediol",HIGSPBFIOSHWQG-UHFFFAOYSA-N
HMDB32133,228.115029756,C15H16O2,CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3",IISBACLAFKSPIT,UHFFFAOYSA,N,Bisphenol A,IISBACLAFKSPIT-UHFFFAOYSA-N
HMDB32134,478.168641046,C20H30O13,CC(=O)\C=C\C=C(/C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C20H30O13/c1-8(4-3-5-9(2)22)18(29)33-20-17(28)15(26)13(24)11(32-20)7-30-19-16(27)14(25)12(23)10(6-21)31-19/h3-5,10-17,19-21,23-28H,6-7H2,1-2H3/b5-3+,8-4+",YFKTUCLAEHYWLL,MSLMYCKWSA,N,"Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate",YFKTUCLAEHYWLL-MSLMYCKWSA-N
HMDB32135,166.099379692,C10H14O2,CCCC1=CC(OC)=C(O)C=C1,"InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3",PXIKRTCSSLJURC,UHFFFAOYSA,N,2-Methoxy-4-propylphenol,PXIKRTCSSLJURC-UHFFFAOYSA-N
HMDB32136,138.068079564,C8H10O2,COC1=C(O)C=CC(C)=C1,"InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3",PETRWTHZSKVLRE,UHFFFAOYSA,N,2-Methoxy-4-methylphenol,PETRWTHZSKVLRE-UHFFFAOYSA-N
HMDB32137,138.068079564,C8H10O2,CC1=CC(O)=CC(C)=C1O,"InChI=1S/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3",SGWZVZZVXOJRAQ,UHFFFAOYSA,N,"2,6-Dimethyl-1,4-benzenediol",SGWZVZZVXOJRAQ-UHFFFAOYSA-N
HMDB32138,166.062994186,C9H10O3,COC1=C(OC)C=C(C=O)C=C1,"InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3",WJUFSDZVCOTFON,UHFFFAOYSA,N,"3,4-Dimethoxybenzaldehyde",WJUFSDZVCOTFON-UHFFFAOYSA-N
HMDB32139,138.068079564,C8H10O2,COC1=CC=CC=C1OC,"InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3",ABDKAPXRBAPSQN,UHFFFAOYSA,N,"1,2-Dimethoxybenzene",ABDKAPXRBAPSQN-UHFFFAOYSA-N
HMDB32140,148.088815006,C10H12O,CC(=O)C1=C(C)C=C(C)C=C1,"InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3",HSDSKVWQTONQBJ,UHFFFAOYSA,N,"2',4'-Dimethylacetophenone",HSDSKVWQTONQBJ-UHFFFAOYSA-N
HMDB32141,225.126597495,C14H15N3,CN(C)C1=CC=C(C=C1)\N=N/C1=CC=CC=C1,"InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3/b16-15-",JCYPECIVGRXBMO,NXVVXOECSA,N,4-(Dimethylamino)azobenzene,JCYPECIVGRXBMO-NXVVXOECSA-N
HMDB32142,134.073164942,C9H10O,CC1=CC(C)=C(C=O)C=C1,"InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3",GISVICWQYMUPJF,UHFFFAOYSA,N,"2,4-Dimethylbenzaldehyde",GISVICWQYMUPJF-UHFFFAOYSA-N
HMDB32143,325.131408101,C19H19NO4,COC1=C(O)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1,"InChI=1S/C19H19NO4/c1-22-17-5-4-12(9-16(17)21)8-15-14-11-19(24-3)18(23-2)10-13(14)6-7-20-15/h4-7,9-11,21H,8H2,1-3H3",MTJSWIPYMFUEPW,UHFFFAOYSA,N,Palaudine,MTJSWIPYMFUEPW-UHFFFAOYSA-N
HMDB32144,426.386166222,C30H50O,CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C,"InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h20-26,31H,1,8-18H2,2-7H3",QCGMIFBWAQSUQY,UHFFFAOYSA,N,24-Methyl-28-norcycloart-25-en-3-ol,QCGMIFBWAQSUQY-UHFFFAOYSA-N
HMDB32145,424.370516158,C30H48O,CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4C(C)C(=O)CCC44CC34CCC12C,"InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h20-24,26H,1,8-18H2,2-7H3",RCXORQWZHHYMBR,UHFFFAOYSA,N,31-Norcyclolaudenone,RCXORQWZHHYMBR-UHFFFAOYSA-N
HMDB32146,412.370516158,C29H48O,CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4CC(O)CCC44CC34CCC12C,"InChI=1S/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-25,30H,1,7-18H2,2-6H3",NEYDVBKPEQZSBX,UHFFFAOYSA,N,"(3beta,5alpha)-14-Methyl-9,19-cycloergost-25-en-3-ol",NEYDVBKPEQZSBX-UHFFFAOYSA-N
HMDB32147,292.276615774,C20H36O,CC(CCO)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C20H36O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,20-21H,6-8,10,12,14-16H2,1-5H3/b18-11+,19-13+",ZKWFMIAGZQACFE,NWLVNBMCSA,N,Geranylcitronellol,ZKWFMIAGZQACFE-NWLVNBMCSA-N
HMDB32148,122.073164942,C8H10O,CC1=C(C)C(O)=CC=C1,"InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3",QWBBPBRQALCEIZ,UHFFFAOYSA,N,"2,3-Dimethylphenol",QWBBPBRQALCEIZ-UHFFFAOYSA-N
HMDB32149,136.088815006,C9H12O,COC1=C(C)C=C(C)C=C1,"InChI=1S/C9H12O/c1-7-4-5-9(10-3)8(2)6-7/h4-6H,1-3H3",UJCFZCTTZWHRNL,UHFFFAOYSA,N,"1-Methoxy-2,4-dimethylbenzene",UJCFZCTTZWHRNL-UHFFFAOYSA-N
HMDB32150,122.073164942,C8H10O,CC1=CC=CC(C)=C1O,"InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3",NXXYKOUNUYWIHA,UHFFFAOYSA,N,"2,6-Dimethylphenol",NXXYKOUNUYWIHA-UHFFFAOYSA-N
HMDB32151,122.073164942,C8H10O,CC1=CC=C(O)C=C1C,"InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3",YCOXTKKNXUZSKD,UHFFFAOYSA,N,"3,4-Dimethylphenol",YCOXTKKNXUZSKD-UHFFFAOYSA-N
HMDB32152,226.193280076,C14H26O2,CC\C=C/CCOC(C)OCC\C=C/CC,"InChI=1S/C14H26O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h6-9,14H,4-5,10-13H2,1-3H3/b8-6-,9-7-",KCPFRJBAXWUXIG,VRHVFUOLSA,N,Acetaldehyde di-cis-3-hexenyl acetal,KCPFRJBAXWUXIG-VRHVFUOLSA-N
HMDB32153,202.193280076,C12H26O2,CC(C)CCOC(C)OCCC(C)C,"InChI=1S/C12H26O2/c1-10(2)6-8-13-12(5)14-9-7-11(3)4/h10-12H,6-9H2,1-5H3",LXKCTPBHCJDSKC,UHFFFAOYSA,N,Acetaldehyde diisoamyl acetal,LXKCTPBHCJDSKC-UHFFFAOYSA-N
HMDB32154,216.20893014,C13H28O2,CCCCCCOC(C)OCCC(C)C,"InChI=1S/C13H28O2/c1-5-6-7-8-10-14-13(4)15-11-9-12(2)3/h12-13H,5-11H2,1-4H3",PUXHYFFHRDAFHP,UHFFFAOYSA,N,Acetaldehyde hexyl isoamyl acetal,PUXHYFFHRDAFHP-UHFFFAOYSA-N
HMDB32155,172.146329884,C10H20O2,CCCCCC1CCOC(C)O1,"InChI=1S/C10H20O2/c1-3-4-5-6-10-7-8-11-9(2)12-10/h9-10H,3-8H2,1-2H3",NZTUUEJEMACERX,UHFFFAOYSA,N,"Acetaldehyde 1,3-octanediol acetal",NZTUUEJEMACERX-UHFFFAOYSA-N
HMDB32156,399.161662371,C21H25N3O3S,C\C(O)=N\C1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)C1CC2=CC=CC=C2C1,"InChI=1S/C21H25N3O3S/c1-16(25)22-19-6-8-21(9-7-19)28(26,27)24-12-10-23(11-13-24)20-14-17-4-2-3-5-18(17)15-20/h2-9,20H,10-15H2,1H3,(H,22,25)",KYLPQCURLYFTQK,UHFFFAOYSA,N,alpha-Acetolactate decarboxylase (enzyme preparation from bacillus subtilis recombinant),KYLPQCURLYFTQK-UHFFFAOYSA-N
HMDB32158,132.07864425,C6H12O3,CCOC(C)OC(C)=O,"InChI=1S/C6H12O3/c1-4-8-6(3)9-5(2)7/h6H,4H2,1-3H3",FAIARWOGQAQTPS,UHFFFAOYSA,N,(+/-)-1-Acetoxy-1-ethoxyethane,FAIARWOGQAQTPS-UHFFFAOYSA-N
HMDB32159,138.068079564,C8H10O2,CC(=O)C1=C(C)C=C(C)O1,"InChI=1S/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3",SQWQZVDNBPEROH,UHFFFAOYSA,N,"2-Acetyl-3,5-dimethylfuran",SQWQZVDNBPEROH-UHFFFAOYSA-N
HMDB32160,156.02450019,C7H8O2S,CC(=O)SC1=C(C)OC=C1,"InChI=1S/C7H8O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H,1-2H3",PQFIBPDAGFGLBY,UHFFFAOYSA,N,3-(Acetylthio)-2-methylfuran,PQFIBPDAGFGLBY-UHFFFAOYSA-N
HMDB32161,143.058243159,C6H9NO3,NC(=O)C=C.OC(=O)C=C,"InChI=1S/C3H5NO.C3H4O2/c2*1-2-3(4)5/h2H,1H2,(H2,4,5);2H,1H2,(H,4,5)",RNIHAPSVIGPAFF,UHFFFAOYSA,N,Acrylamide-acrylic acid resin,RNIHAPSVIGPAFF-UHFFFAOYSA-N
HMDB32162,279.077657971,C10H17NO6S,OC(=O)C=C.CCC(C)(NC(=O)C=C)S(O)(=O)=O,"InChI=1S/C7H13NO4S.C3H4O2/c1-4-6(9)8-7(3,5-2)13(10,11)12;1-2-3(4)5/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2H,1H2,(H,4,5)",YVDXQYOOUXSXMU,UHFFFAOYSA,N,Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid copolymer,YVDXQYOOUXSXMU-UHFFFAOYSA-N
HMDB32164,142.099379692,C8H14O2,CCCCC(=O)OCC=C,"InChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3",PWYXVVREDGESBB,UHFFFAOYSA,N,Allyl valerate,PWYXVVREDGESBB-UHFFFAOYSA-N
HMDB32173,274.099379692,C19H14O2,OC(=O)CC1C2=CC=CC=C2C2=C1C1=CC=CC=C1C=C2,"InChI=1S/C19H14O2/c20-18(21)11-17-15-8-4-3-7-14(15)16-10-9-12-5-1-2-6-13(12)19(16)17/h1-10,17H,11H2,(H,20,21)",GQNBDGXKDJSVGQ,UHFFFAOYSA,N,Bakers yeast extract,GQNBDGXKDJSVGQ-UHFFFAOYSA-N
HMDB32174,180.07864425,C10H12O3,OC1COC(OC1)C1=CC=CC=C1,"InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2",BWKDAAFSXYPQOS,UHFFFAOYSA,N,Benzaldehyde glyceryl acetal,BWKDAAFSXYPQOS-UHFFFAOYSA-N
HMDB32175,241.073893223,C14H11NO3,OC(=O)C1=CC=CC=C1NC(=O)C1=CC=CC=C1,"InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)",WXVLIIDDWFGYCV,UHFFFAOYSA,N,N-Benzoylanthranilic acid,WXVLIIDDWFGYCV-UHFFFAOYSA-N
HMDB32176,206.13067982,C13H18O2,CCCCCC(=O)OCC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3",HRSXWUSONDBHSP,UHFFFAOYSA,N,Benzyl hexanoate,HRSXWUSONDBHSP-UHFFFAOYSA-N
HMDB32177,190.099379692,C12H14O2,C\C=C(/C)C(=O)OCC1=CC=CC=C1,"InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+",QRGSTISKDZCDHV,XCVCLJGOSA,N,Benzyl trans-2-methyl-2-butenoate,QRGSTISKDZCDHV-XCVCLJGOSA-N
HMDB32178,158.109550448,C12H14,C=CC=C.C=CC1=CC=CC=C1,"InChI=1S/C8H8.C4H6/c1-2-8-6-4-3-5-7-8;1-3-4-2/h2-7H,1H2;3-4H,1-2H2",MTAZNLWOLGHBHU,UHFFFAOYSA,N,Butadiene-styrene rubber,MTAZNLWOLGHBHU-UHFFFAOYSA-N
HMDB32179,73.089149357,C4H11N,CCC(C)N,"InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3",BHRZNVHARXXAHW,UHFFFAOYSA,N,sec-Butylamine,BHRZNVHARXXAHW-UHFFFAOYSA-N
HMDB32180,150.053691828,C6H14S2,CCCCSSCC,"InChI=1S/C6H14S2/c1-3-5-6-8-7-4-2/h3-6H2,1-2H3",QEYJAENSRLNDFW,UHFFFAOYSA,N,Butyl ethyl disulfide,QEYJAENSRLNDFW-UHFFFAOYSA-N
HMDB32181,248.198759384,C13H28O4,CCCCOCCOCC(C)OCCCOC,"InChI=1S/C13H28O4/c1-4-5-8-15-10-11-16-12-13(2)17-9-6-7-14-3/h13H,4-12H2,1-3H3",PXWCUJRVSZCPHE,UHFFFAOYSA,N,alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene),PXWCUJRVSZCPHE-UHFFFAOYSA-N
HMDB32182,208.219100896,C15H28,CC(C)C1CCC(C)C2CCC(C)CC12,"InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3",FZZNNPQZDRVKLU,UHFFFAOYSA,N,Cadinene,FZZNNPQZDRVKLU-UHFFFAOYSA-N
HMDB32193,196.146329884,C12H20O2,CC(=O)OCCC1CC=C(C)C1(C)C,"InChI=1S/C12H20O2/c1-9-5-6-11(12(9,3)4)7-8-14-10(2)13/h5,11H,6-8H2,1-4H3",HBRWKAJTMKFEQR,UHFFFAOYSA,N,alpha-Campholene acetate,HBRWKAJTMKFEQR-UHFFFAOYSA-N
HMDB32195,1506.17754912,C42H74O46S6,COC1C(O)C(OC2C3CO[C@@H]2C(O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(OC2C3CO[C@@H]2C(OS(O)(=O)=O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(CO)OC(OC2C(O)C(OS(O)(=O)=O)C(C)OC2COS(O)(=O)=O)C1OS(O)(=O)=O,"InChI=1S/C14H26O19S3.C14H24O15S2.C14H24O12S/c1-5-10(32-35(21,22)23)9(17)11(7(29-5)4-28-34(18,19)20)31-14-13(33-36(24,25)26)12(27-2)8(16)6(3-15)30-14;1-5-9(28-30(17,18)19)13-10(7(25-5)4-24-13)27-14-8(16)12(23-2)11(6(3-15)26-14)29-31(20,21)22;1-5-8(16)13-10(7(23-5)4-22-13)25-14-9(17)12(21-2)11(6(3-15)24-14)26-27(18,19)20/h5-17H,3-4H2,1-2H3,(H,18,19,20)(H,21,22,23)(H,24,25,26);5-16H,3-4H2,1-2H3,(H,17,18,19)(H,20,21,22);5-17H,3-4H2,1-2H3,(H,18,19,20)/t;2*5?,6?,7?,8?,9?,10?,11?,12?,13-,14?/m.11/s1",DFXMOGHSMPQFMY,NEUCQFCTSA,N,Carrageenan and salts of carrageenan,DFXMOGHSMPQFMY-NEUCQFCTSA-N
HMDB32197,370.147511674,C14H26O11,COC1OC(CO)C(OC2OC(CO)C(OC)C(O)C2O)C(O)C1O,"InChI=1S/C14H26O11/c1-21-11-5(3-15)24-14(10(20)7(11)17)25-12-6(4-16)23-13(22-2)9(19)8(12)18/h5-20H,3-4H2,1-2H3",PTHCMJGKKRQCBF,UHFFFAOYSA,N,"Cellulose, microcrystalline",PTHCMJGKKRQCBF-UHFFFAOYSA-N
HMDB32198,536.210967144,C30H34Cl2N4O,ClC1=CC(Cl)=C2C(NCCCCCCC(=O)NCCC3=CNC4=CC=CC=C34)=C3CCCCC3=NC2=C1,"InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)",ULGJWNIHLSLQPZ,UHFFFAOYSA,N,Cellulose triacetate,ULGJWNIHLSLQPZ-UHFFFAOYSA-N
HMDB32199,669.144217209,C30H27N3O15,OC1=CC=CC(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)C2=CC=CC(O)=C2O)NC(=O)C2=CC=CC(O)=C2O)=C1O,"InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1",SERBHKJMVBATSJ,BZSNNMDCSA,N,"Chymosin preparation, escherichia coli k-12",SERBHKJMVBATSJ-BZSNNMDCSA-N
HMDB32200,188.104859,C9H16O4,CCOC(=O)CC1(C)OCC(C)O1,"InChI=1S/C9H16O4/c1-4-11-8(10)5-9(3)12-6-7(2)13-9/h7H,4-6H2,1-3H3",GSIXJEIRJVOUFB,UHFFFAOYSA,N,"cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate",GSIXJEIRJVOUFB-UHFFFAOYSA-N
HMDB32201,185.123820303,C10H19NS,CCC(C)C1=NC(C)C(CC)S1,"InChI=1S/C10H19NS/c1-5-7(3)10-11-8(4)9(6-2)12-10/h7-9H,5-6H2,1-4H3",RFBWQYHRQKASFM,UHFFFAOYSA,N,cis- and trans-5-Ethyl-4-methyl-2-(2-butyl)-thiazoline,RFBWQYHRQKASFM-UHFFFAOYSA-N
HMDB32202,185.123820303,C10H19NS,CCC1SC(CC(C)C)=NC1C,"InChI=1S/C10H19NS/c1-5-9-8(4)11-10(12-9)6-7(2)3/h7-9H,5-6H2,1-4H3",VRMJLCZXVASWQJ,UHFFFAOYSA,N,cis and trans-5-Ethyl-4-methyl-2-(2-methylpropyl)-thiazoline,VRMJLCZXVASWQJ-UHFFFAOYSA-N
HMDB32203,144.115029756,C8H16O2,CC(C)CC1OCC(C)O1,"InChI=1S/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3",PDVLTWPJDBXATJ,UHFFFAOYSA,N,"cis- and trans-2-Isobutyl-4-methyl-1,3-dioxolane",PDVLTWPJDBXATJ-UHFFFAOYSA-N
HMDB32204,130.099379692,C7H14O2,CC(C)C1OCC(C)O1,"InChI=1S/C7H14O2/c1-5(2)7-8-4-6(3)9-7/h5-7H,4H2,1-3H3",NWXXKKDLGZLEGH,UHFFFAOYSA,N,"cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane",NWXXKKDLGZLEGH-UHFFFAOYSA-N
HMDB32205,186.107835888,C10H18OS,CC(C)C1CCC(C)(S)CC1=O,"InChI=1S/C10H18OS/c1-7(2)8-4-5-10(3,12)6-9(8)11/h7-8,12H,4-6H2,1-3H3",LCFWUUYRTYROGC,UHFFFAOYSA,N,cis- and trans-L-Mercapto-p-menthan-3-one,LCFWUUYRTYROGC-UHFFFAOYSA-N
HMDB32206,156.151415262,C10H20O,CCCCC\C=C/CCCO,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,11H,2-5,8-10H2,1H3/b7-6-",VUNFOJWKJSYIDH,SREVYHEPSA,N,cis-4-Decenol,VUNFOJWKJSYIDH-SREVYHEPSA-N
HMDB32207,142.099379692,C8H14O2,CC\C=C/CCCC(O)=O,"InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h3-4H,2,5-7H2,1H3,(H,9,10)/b4-3-",RRGOKSYVAZDNKR,ARJAWSKDSA,N,cis-5-Octenoic acid,RRGOKSYVAZDNKR-ARJAWSKDSA-N
HMDB32208,275.188529049,C17H25NO2,CC(CCOC(=O)C1=CC=CC=C1N)CCC=C(C)C,"InChI=1S/C17H25NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-10,14H,6,8,11-12,18H2,1-3H3",LSJVFMHIFWWGDY,UHFFFAOYSA,N,Citronellyl anthranilate,LSJVFMHIFWWGDY-UHFFFAOYSA-N
HMDB32209,238.193280076,C15H26O2,C\C=C(/C)C(=O)OCCC(C)CCC=C(C)C,"InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6+",UCFQYMKLDPWFHZ,MKMNVTDBSA,N,Citronellyl trans-2-methyl-2-butenoate,UCFQYMKLDPWFHZ-MKMNVTDBSA-N
HMDB32210,193.146664235,C12H19NO,CC\C=C/CC\C=C\C(=O)NC1CC1,"InChI=1S/C12H19NO/c1-2-3-4-5-6-7-8-12(14)13-11-9-10-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,13,14)/b4-3-,8-7+",BTSTZWOTLKSKHV,ODYTWBPASA,N,N-Cyclopropyl-trans-2-cis-6-nonadienamide,BTSTZWOTLKSKHV-ODYTWBPASA-N
HMDB32211,214.193280076,C13H26O2,CCCCCCCCCC1OCC(C)O1,"InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-13-14-11-12(2)15-13/h12-13H,3-11H2,1-2H3",SJLDHKPBFAHHSI,UHFFFAOYSA,N,Decanal propyleneglycol acetal,SJLDHKPBFAHHSI-UHFFFAOYSA-N
HMDB32212,156.151415262,C10H20O,CCCCCCCC(=O)CC,"InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3",XJLDYKIEURAVBW,UHFFFAOYSA,N,3-Decanone,XJLDYKIEURAVBW-UHFFFAOYSA-N
HMDB32213,150.10446507,C10H14O,CC\C=C/C\C=C\C=C\C=O,"InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3/b4-3-,7-6+,9-8+",KEXCNWISTVJVBV,YPVUHSJLSA,N,2-trans-4-trans-7-cis-Decatrienal,KEXCNWISTVJVBV-YPVUHSJLSA-N
HMDB32214,198.161979948,C12H22O2,CCCCC\C=C/CCCOC(C)=O,"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h7-8H,3-6,9-11H2,1-2H3/b8-7-",OVBJYGLPPVUWAV,FPLPWBNLSA,N,cis-4-Decenyl acetate,OVBJYGLPPVUWAV-FPLPWBNLSA-N
HMDB32215,208.18271539,C14H24O,CCCCCCCCCCC1=CC=CO1,"InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15-14/h10,12-13H,2-9,11H2,1H3",PIBKIYYQPWSUDP,UHFFFAOYSA,N,2-Decylfuran,PIBKIYYQPWSUDP-UHFFFAOYSA-N
HMDB32216,255.138992038,C14H22ClNO,CC(CN(C)C)C(C)(O)CC1=CC=C(Cl)C=C1,"InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3",KVHHQGIIZCJATJ,UHFFFAOYSA,N,Diethylenetriamine crosslinked with epichlorohydrin,KVHHQGIIZCJATJ-UHFFFAOYSA-N
HMDB32217,228.07864425,C14H12O3,C(C1=CC=CO1)C1=CC(CC2=CC=CO2)=CO1,"InChI=1S/C14H12O3/c1-3-12(15-5-1)7-11-8-14(17-10-11)9-13-4-2-6-16-13/h1-6,8,10H,7,9H2",MLLNFQCJOXJITQ,UHFFFAOYSA,N,"2,4-Difurfurylfuran",MLLNFQCJOXJITQ-UHFFFAOYSA-N
HMDB32218,224.214015518,C15H28O,CC(CCO)CCC=C(C)CCC=C(C)C,"InChI=1S/C15H28O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,15-16H,5-6,8,10-12H2,1-4H3",OOOOFOPLSIWRAR,UHFFFAOYSA,N,(+/-)-Dihydrofarnesol,OOOOFOPLSIWRAR-UHFFFAOYSA-N
HMDB32219,168.115029756,C10H16O2,CC1C2CCC(C)CC2OC1=O,"InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-9H,3-5H2,1-2H3",FGDINYRLQOKVQS,UHFFFAOYSA,N,(+/-)-Dihydromintlactone,FGDINYRLQOKVQS-UHFFFAOYSA-N
HMDB32220,220.18271539,C15H24O,CC(=C)C1CCC2(C)CCC(=O)CC2(C)C1,"InChI=1S/C15H24O/c1-11(2)12-5-7-14(3)8-6-13(16)10-15(14,4)9-12/h12H,1,5-10H2,2-4H3",VESUMYPXHVXDJI,UHFFFAOYSA,N,Dihydronootkatone,VESUMYPXHVXDJI-UHFFFAOYSA-N
HMDB32221,289.189791377,C15H31NS2,CC(C)CC1NC(CC(C)C)SC(CC(C)C)S1,"InChI=1S/C15H31NS2/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-16H,7-9H2,1-6H3",RQGPQWUKHADVPF,UHFFFAOYSA,N,"Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine",RQGPQWUKHADVPF-UHFFFAOYSA-N
HMDB32222,180.063388116,C6H12O6,OCC1(O)COC(O)(CO)CO1,"InChI=1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2",KEQUNHIAUQQPAC,UHFFFAOYSA,N,Dihydroxyacetone (dimer),KEQUNHIAUQQPAC-UHFFFAOYSA-N
HMDB32223,290.15518001,C14H26O4S,CC(C)CCOC(=O)CC(S)C(=O)OCCC(C)C,"InChI=1S/C14H26O4S/c1-10(2)5-7-17-13(15)9-12(19)14(16)18-8-6-11(3)4/h10-12,19H,5-9H2,1-4H3",HHNLQBYPOOATIP,UHFFFAOYSA,N,Diisopentyl thiomalate,HHNLQBYPOOATIP-UHFFFAOYSA-N
HMDB32224,343.153206175,C18H21N3O4,COC1=CC(OC)=C(CNC(=O)C(=O)NCCC2=CC=CC=N2)C=C1,"InChI=1S/C18H21N3O4/c1-24-15-7-6-13(16(11-15)25-2)12-21-18(23)17(22)20-10-8-14-5-3-4-9-19-14/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23)",HETCYFFYGYGQSP,UHFFFAOYSA,N,"N1-(2,4-Dimethoxybenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide",HETCYFFYGYGQSP-UHFFFAOYSA-N
HMDB32225,144.115029756,C8H16O2,CCC\C=C\C(OC)OC,"InChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3/b7-6+",OSVRJMZINDGZFB,VOTSOKGWSA,N,"1,1-Dimethoxy-trans-2-hexene",OSVRJMZINDGZFB-VOTSOKGWSA-N
HMDB32226,371.173272915,C21H25NO5,COC1=CC=C(\C=C\C(=O)NCCC2=CC(OC)=C(OC)C=C2)C=C1OC,"InChI=1S/C21H25NO5/c1-24-17-8-5-15(13-19(17)26-3)7-10-21(23)22-12-11-16-6-9-18(25-2)20(14-16)27-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,23)/b10-7+",OZNUPWACHHUIKC,JXMROGBWSA,N,"N-[2-(3,4-Dimethoxyphenyl)ethyl]-3,4-dimethoxycinnamic acid amide",OZNUPWACHHUIKC-JXMROGBWSA-N
HMDB32227,218.13067982,C14H18O2,C\C=C\C(=O)OC(C)(C)CC1=CC=CC=C1,"InChI=1S/C14H18O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h4-10H,11H2,1-3H3/b8-4+",OKLPIYCKVVLHCP,XBXARRHUSA,N,Dimethylbenzyl carbinyl crotonate,OKLPIYCKVVLHCP-XBXARRHUSA-N
HMDB32228,248.177630012,C16H24O2,CCCCCC(=O)OC(C)(C)CC1=CC=CC=C1,"InChI=1S/C16H24O2/c1-4-5-7-12-15(17)18-16(2,3)13-14-10-8-6-9-11-14/h6,8-11H,4-5,7,12-13H2,1-3H3",IRKDZQZMTAKZKQ,UHFFFAOYSA,N,Dimethylbenzyl carbinyl hexanoate,IRKDZQZMTAKZKQ-UHFFFAOYSA-N
HMDB32229,508.582126373,C35H74N,CCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC,"InChI=1S/C35H74N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-35H2,1-4H3/q+1",VUHVIYBUEGOBMT,UHFFFAOYSA,N,Dimethyl dialkyl ammonium chloride,VUHVIYBUEGOBMT-UHFFFAOYSA-N
HMDB32230,102.068079564,C5H10O2,CC1COC(C)O1,"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3",ROSFUFIOLRQOON,UHFFFAOYSA,N,"2,4-Dimethyl-1,3-dioxolane",ROSFUFIOLRQOON-UHFFFAOYSA-N
HMDB32231,89.084063979,C4H11NO,CN(C)CCO,"InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3",UEEJHVSXFDXPFK,UHFFFAOYSA,N,Dimethylethanolamine,UEEJHVSXFDXPFK-UHFFFAOYSA-N
HMDB32232,156.07864425,C8H12O3,CCOC1=C(C)OC(C)C1=O,"InChI=1S/C8H12O3/c1-4-10-8-6(3)11-5(2)7(8)9/h5H,4H2,1-3H3",AILFSZXBRNLVHY,UHFFFAOYSA,N,"2,5-Dimethyl-4-ethoxy-3(2H)-furanone",AILFSZXBRNLVHY-UHFFFAOYSA-N
HMDB32233,112.0524295,C6H8O2,CC1OC(C)=CC1=O,"InChI=1S/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3",ASOSVCXGWPDUGN,UHFFFAOYSA,N,"2,5-Dimethyl-3(2H)-furanone",ASOSVCXGWPDUGN-UHFFFAOYSA-N
HMDB32234,170.040150254,C8H10O2S,CC(=O)SC1=C(C)OC(C)=C1,"InChI=1S/C8H10O2S/c1-5-4-8(6(2)10-5)11-7(3)9/h4H,1-3H3",LULNJORVPBVGRB,UHFFFAOYSA,N,"2,5-Dimethyl-3-furanthiol acetate",LULNJORVPBVGRB-UHFFFAOYSA-N
HMDB32235,198.161979948,C12H22O2,CC(CCC=C(C)C)C1OCC(C)O1,"InChI=1S/C12H22O2/c1-9(2)6-5-7-10(3)12-13-8-11(4)14-12/h6,10-12H,5,7-8H2,1-4H3",UVCDCGGGCGCIRU,UHFFFAOYSA,N,"2,6-Dimethyl-5-heptenal propyleneglycol acetal",UVCDCGGGCGCIRU-UHFFFAOYSA-N
HMDB32236,168.187800768,C12H24,CCCCC(C)C(=C)CCCC,"InChI=1S/C12H24/c1-5-7-9-11(3)12(4)10-8-6-2/h12H,3,5-10H2,1-2,4H3",ZPVCSXMAYSEYLT,UHFFFAOYSA,N,"(+/-)-N,N-Dimethyl menthyl succinamide",ZPVCSXMAYSEYLT-UHFFFAOYSA-N
HMDB32237,132.060885696,C6H12OS,CC1CC(S)C(C)O1,"InChI=1S/C6H12OS/c1-4-3-6(8)5(2)7-4/h4-6,8H,3H2,1-2H3",WBELUTNLJPCIHS,UHFFFAOYSA,N,"2,5-Dimethyl-3-mercaptotetrahydrofuran",WBELUTNLJPCIHS-UHFFFAOYSA-N
HMDB32238,168.151415262,C11H20O,CC(O)\C=C(/C)CCC=C(C)C,"InChI=1S/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3/b10-8+",NYPOJSCNHYUZRG,CSKARUKUSA,N,"(+/-)-trans- and cis-4,8-Dimethyl-3,7-nonadien-2-ol",NYPOJSCNHYUZRG-CSKARUKUSA-N
HMDB32239,172.18271539,C11H24O,CCCCCC(C)(O)CC(C)C,"InChI=1S/C11H24O/c1-5-6-7-8-11(4,12)9-10(2)3/h10,12H,5-9H2,1-4H3",ZCYIZHWZWCLYQE,UHFFFAOYSA,N,"2,4-Dimethyl-4-nonanol",ZCYIZHWZWCLYQE-UHFFFAOYSA-N
HMDB32240,221.177964363,C14H23NO,CC(C)=CCC\C(C)=C\CNC(=O)C1CC1,"InChI=1S/C14H23NO/c1-11(2)5-4-6-12(3)9-10-15-14(16)13-7-8-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,15,16)/b12-9+",UKNMSFRSBQONET,FMIVXFBMSA,N,"N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide",UKNMSFRSBQONET-FMIVXFBMSA-N
HMDB32241,156.151415262,C10H20O,CC(C)CCCC(C)CC=O,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h8-10H,4-7H2,1-3H3",UCSIFMPORANABL,UHFFFAOYSA,N,"3,7-Dimethyloctanal",UCSIFMPORANABL-UHFFFAOYSA-N
HMDB32242,152.120115134,C10H16O,CC(C)=CCCC(C)(O)C#C,"InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3",YWTIDNZYLFTNQQ,UHFFFAOYSA,N,"(E)-3,7-Dimethyl-1,5,7-octatrien-3-ol",YWTIDNZYLFTNQQ-UHFFFAOYSA-N
HMDB32243,149.120449485,C10H15N,CC(N(C)C)C1=CC=CC=C1,"InChI=1S/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3",BVURNMLGDQYNAF,UHFFFAOYSA,N,"N,N-Dimethylphenethylamine",BVURNMLGDQYNAF-UHFFFAOYSA-N
HMDB32244,107.073499293,C7H9N,CC1=CC(C)=NC=C1,"InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3",JYYNAJVZFGKDEQ,UHFFFAOYSA,N,"2,4-Dimethylpyridine",JYYNAJVZFGKDEQ-UHFFFAOYSA-N
HMDB32245,302.07903818,C16H14O6,COC1=CC(C=O)=CC(=C1O)C1=C(O)C(OC)=CC(C=O)=C1,"InChI=1S/C16H14O6/c1-21-13-5-9(7-17)3-11(15(13)19)12-4-10(8-18)6-14(22-2)16(12)20/h3-8,19-20H,1-2H3",NSTQUZVZBUTVPY,UHFFFAOYSA,N,Divanillin,NSTQUZVZBUTVPY-UHFFFAOYSA-N
HMDB32246,230.224580204,C14H30O2,CCCCCCCCCCCC(OC)OC,"InChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h14H,4-13H2,1-3H3",AJUWUYJULVYGRA,UHFFFAOYSA,N,Dodecanal dimethyl acetal,AJUWUYJULVYGRA-UHFFFAOYSA-N
HMDB32247,196.18271539,C13H24O,CCCCCCCC\C=C\CCC=O,"InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10,13H,2-8,11-12H2,1H3/b10-9+",SMJHEMUFVYWLOU,MDZDMXLPSA,N,(Z)-4-Dodecenal,SMJHEMUFVYWLOU-MDZDMXLPSA-N
HMDB32248,198.161979948,C12H22O2,OC(=O)CCCCCCCCCC=C,"InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2H,1,3-11H2,(H,13,14)",GZZPOFFXKUVNSW,UHFFFAOYSA,N,11-Dodecenoic acid,GZZPOFFXKUVNSW-UHFFFAOYSA-N
HMDB32249,256.240230268,C16H32O2,CCCCCCCCCCCCOC(=O)CCC,"InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h3-15H2,1-2H3",JEPXJYKYHMEESP,UHFFFAOYSA,N,Dodecyl butyrate,JEPXJYKYHMEESP-UHFFFAOYSA-N
HMDB32250,242.224580204,C15H30O2,CCCCCCCCCCCCOC(=O)CC,"InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3-14H2,1-2H3",FVGJPCFYGPKBKJ,UHFFFAOYSA,N,Dodecyl propionate,FVGJPCFYGPKBKJ-UHFFFAOYSA-N
HMDB32251,170.112921266,C10H18S,CC1CCC2CC1SC2(C)C,"InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3",FAXNZPOZWCWYBD,UHFFFAOYSA,N,"(+/-)-2,8-Epithio-cis-p-menthane",FAXNZPOZWCWYBD-UHFFFAOYSA-N
HMDB32252,168.07864425,C9H12O3,CC12OC1C(=O)CC(C)(C)C2=O,"InChI=1S/C9H12O3/c1-8(2)4-5(10)6-9(3,12-6)7(8)11/h6H,4H2,1-3H3",VOFRQXZPJRQJIW,UHFFFAOYSA,N,Epoxyoxophorone,VOFRQXZPJRQJIW-UHFFFAOYSA-N
HMDB32253,93.991091572,C2H6S2,CC(S)S,"InChI=1S/C2H6S2/c1-2(3)4/h2-4H,1H3",DHBXNPKRAUYBTH,UHFFFAOYSA,N,"Ethane-1,1-dithiol",DHBXNPKRAUYBTH-UHFFFAOYSA-N
HMDB32255,269.199093735,C15H27NO3,CCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C,"InChI=1S/C15H27NO3/c1-5-19-14(17)9-16-15(18)13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,18)",GWRCTWAPTXBPHW,UHFFFAOYSA,N,N-[(Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide,GWRCTWAPTXBPHW-UHFFFAOYSA-N
HMDB32256,456.360345402,C30H48O3,CCC(O)(CC)\C=C\CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C30H48O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h9,13-14,18,21,25-28,31-33H,4,6-8,10-12,15-17,19-20H2,1-3,5H3/b18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1",DRYSPLCGYOPFPU,CQTNNHDRSA,N,(+-)-Ethyl 3-hydroxy-2-methylbutyrate,DRYSPLCGYOPFPU-CQTNNHDRSA-N
HMDB32257,330.255880332,C22H34O2,CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C,"InChI=1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1",AGUBCDYYAKENKG,YVNJGZBMSA,N,Ethyl abietate,AGUBCDYYAKENKG-YVNJGZBMSA-N
HMDB32258,188.104859,C9H16O4,CCOC(=O)C(C)C(C)OC(C)=O,"InChI=1S/C9H16O4/c1-5-12-9(11)6(2)7(3)13-8(4)10/h6-7H,5H2,1-4H3",KYWLAHNPWLJLDJ,UHFFFAOYSA,N,(+/-)-Ethyl 3-acetoxy-2-methylbutyrate,KYWLAHNPWLJLDJ-UHFFFAOYSA-N
HMDB32259,190.066365004,C8H14O3S,CCOC(=O)CCCSC(C)=O,"InChI=1S/C8H14O3S/c1-3-11-8(10)5-4-6-12-7(2)9/h3-6H2,1-2H3",AKUUBUQNHOTPHG,UHFFFAOYSA,N,Ethyl 4-(acetylthio)butyrate,AKUUBUQNHOTPHG-UHFFFAOYSA-N
HMDB32260,594.558710856,C38H74O4,CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",FPVVYTCTZKCSOJ,UHFFFAOYSA,N,Ethylene glycol distearate,FPVVYTCTZKCSOJ-UHFFFAOYSA-N
HMDB32262,62.036779436,C2H6O2,OCCO,"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",LYCAIKOWRPUZTN,UHFFFAOYSA,N,"Ethylene oxide/propylene oxide copolymer (avg m w 9,760 - 13,200)",LYCAIKOWRPUZTN-UHFFFAOYSA-N
HMDB32263,102.068079564,C5H10O2,C1CO1.CC1CO1,"InChI=1S/C3H6O.C2H4O/c1-3-2-4-3;1-2-3-1/h3H,2H2,1H3;1-2H2",RVGRUAULSDPKGF,UHFFFAOYSA,N,Ethylene oxide/propylene oxide copolymer,RVGRUAULSDPKGF-UHFFFAOYSA-N
HMDB32264,172.146329884,C10H20O2,CCCCC(CC)C(=O)OCC,"InChI=1S/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3",YXAGIRHBJJLWHW,UHFFFAOYSA,N,Ethyl 2-ethylhexanoate,YXAGIRHBJJLWHW-UHFFFAOYSA-N
HMDB32265,156.115029756,C9H16O2,CCOC(=O)CC\C=C/CC,"InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-",GITGIBUELGTBSG,WAYWQWQTSA,N,cis-Ethyl 4-heptenoate,GITGIBUELGTBSG-WAYWQWQTSA-N
HMDB32266,142.099379692,C8H14O2,CCOC(=O)C\C=C/CC,"InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5-",VTSFIPHRNAESED,WAYWQWQTSA,N,Ethyl (E)-3-hexenoate,VTSFIPHRNAESED-WAYWQWQTSA-N
HMDB32267,142.099379692,C8H14O2,CCOC(=O)CCCC=C,"InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h3H,1,4-7H2,2H3",RJLJOXJZWMGEFD,UHFFFAOYSA,N,Ethyl 5-hexenoate,RJLJOXJZWMGEFD-UHFFFAOYSA-N
HMDB32268,142.099379692,C8H14O2,CCC\C=C\C(=O)OCC,"InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+",SJRXWMQZUAOMRJ,VOTSOKGWSA,N,Ethyl 2E-hexenoate,SJRXWMQZUAOMRJ-VOTSOKGWSA-N
HMDB32269,146.094294314,C7H14O3,CCOC(=O)C(C)(O)CC,"InChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3",KIYWRWLZHQZKKD,UHFFFAOYSA,N,(+/-)-Ethyl 2-hydroxy-2-methylbutyrate,KIYWRWLZHQZKKD-UHFFFAOYSA-N
HMDB32270,160.109944378,C8H16O3,CCOC(=O)C(O)C(C)CC,"InChI=1S/C8H16O3/c1-4-6(3)7(9)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3",TXLBCYISDOYPIH,UHFFFAOYSA,N,(+/-)-Ethyl 2-hydroxy-3-methylvalerate,TXLBCYISDOYPIH-UHFFFAOYSA-N
HMDB32271,148.055800318,C6H12O2S,CCOC(=O)CC(C)S,"InChI=1S/C6H12O2S/c1-3-8-6(7)4-5(2)9/h5,9H,3-4H2,1-2H3",FPBCNQQYLDBWMH,UHFFFAOYSA,N,Ethyl 3-mercaptobutyrate,FPBCNQQYLDBWMH-UHFFFAOYSA-N
HMDB32272,144.115029756,C8H16O2,CCOC(=O)CCC(C)C,"InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3",OFQRUTMGVBMTFQ,UHFFFAOYSA,N,Ethyl 4-methylpentanoate,OFQRUTMGVBMTFQ-UHFFFAOYSA-N
HMDB32273,181.146664235,C11H19NO,CCNC(=O)\C=C\CC\C=C/CC,"InChI=1S/C11H19NO/c1-3-5-6-7-8-9-10-11(13)12-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,12,13)/b6-5-,10-9+",ARSJQOAYGVNWEK,MLCWLASSSA,N,N-Ethyl trans-2-cis-6-nonadienamide,ARSJQOAYGVNWEK-MLCWLASSSA-N
HMDB32274,156.151415262,C10H20O,CCCCC(CC)CCC=O,"InChI=1S/C10H20O/c1-3-5-7-10(4-2)8-6-9-11/h9-10H,3-8H2,1-2H3",OWCKBMRUMZFWED,UHFFFAOYSA,N,(+/-)-4-Ethyloctanal,OWCKBMRUMZFWED-UHFFFAOYSA-N
HMDB32275,170.13067982,C10H18O2,CCCC\C=C\CC(=O)OCC,"InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h7-8H,3-6,9H2,1-2H3/b8-7+",BCMYNNIPTQUKAC,BQYQJAHWSA,N,Ethyl 3-octenoate,BCMYNNIPTQUKAC-BQYQJAHWSA-N
HMDB32276,136.100048394,C8H12N2,CCC1=NC(C)=CN=C1C,"InChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3",WHMWOHBXYIZFPF,UHFFFAOYSA,N,"2-Ethyl-3,(5 or 6)-dimethylpyrazine",WHMWOHBXYIZFPF-UHFFFAOYSA-N
HMDB32277,134.07653576,C6H14OS,CCSC(C)CCO,"InChI=1S/C6H14OS/c1-3-8-6(2)4-5-7/h6-7H,3-5H2,1-2H3",RNFXBUGJWZOUJT,UHFFFAOYSA,N,(+/-)-3-(Ethylthio)butanol,RNFXBUGJWZOUJT-UHFFFAOYSA-N
HMDB32278,142.099379692,C8H14O2,CCOC(=O)C(\C)=C\CC,"InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h6H,4-5H2,1-3H3/b7-6+",HYQYCHQAUPHFKX,VOTSOKGWSA,N,Ethyl trans-2-methyl-2-pentenoate,HYQYCHQAUPHFKX-VOTSOKGWSA-N
HMDB32279,182.167065326,C12H22O,CCC1(O)C(C)(C)C2CCC1(C)C2,"InChI=1S/C12H22O/c1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h9,13H,5-8H2,1-4H3",KIPCKEJKGCXRGA,UHFFFAOYSA,N,"2-Ethyl-1,3,3-trimethyl-2-norbornanol",KIPCKEJKGCXRGA-UHFFFAOYSA-N
HMDB32280,748.15829283,C37H36N2O9S3,CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O)C1=CC=CC=C1S(O)(=O)=O,"InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)",CTRXDTYTAAKVSM,UHFFFAOYSA,N,"Fd&c blue no. 1, aluminum lake",CTRXDTYTAAKVSM-UHFFFAOYSA-N
HMDB32287,211.953386163,C6FeN6,N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,InChI=1S/6CN.Fe/c6*1-2;/q;;;;;;-4,ORXDSIPBTFAEKJ,UHFFFAOYSA,N,Ferrocyanide salts,ORXDSIPBTFAEKJ-UHFFFAOYSA-N
HMDB32288,226.012220944,C10H10O2S2,CC1=C(SSCC2=CC=CO2)C=CO1,"InChI=1S/C10H10O2S2/c1-8-10(4-6-11-8)14-13-7-9-3-2-5-12-9/h2-6H,7H2,1H3",FVCZDGBJCOHRKY,UHFFFAOYSA,N,Furfuryl 2-methyl-3-furyl disulfide,FVCZDGBJCOHRKY-UHFFFAOYSA-N
HMDB32289,188.032956386,C8H12OS2,CCCSSCC1=CC=CO1,"InChI=1S/C8H12OS2/c1-2-6-10-11-7-8-4-3-5-9-8/h3-5H,2,6-7H2,1H3",YCXWJNAAXGVFED,UHFFFAOYSA,N,Furfuryl propyl disulfide,YCXWJNAAXGVFED-UHFFFAOYSA-N
HMDB32290,138.068079564,C8H10O2,CC(=O)CCC1=CC=CO1,"InChI=1S/C8H10O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6H,4-5H2,1H3",GGJUJWSDTDBTLX,UHFFFAOYSA,N,1-(2-Furyl)butan-3-one,GGJUJWSDTDBTLX-UHFFFAOYSA-N
HMDB32291,238.193280076,C15H26O2,CCC(C)C(=O)OC\C=C(/C)CCC=C(C)C,"InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+",PEQMAZJTEUEQJP,JLHYYAGUSA,N,Geranyl 2-methylbutyrate,PEQMAZJTEUEQJP-JLHYYAGUSA-N
HMDB32292,236.177630012,C15H24O2,C\C=C(/C)C(=O)OC\C=C(/C)CCC=C(C)C,"InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+",OGHBUHJLMHQMHS,KRDNBFTESA,N,Geranyl tiglate,OGHBUHJLMHQMHS-KRDNBFTESA-N
HMDB32293,239.100501903,C8H17NO7,OCCNC(=O)C(O)C(O)C(O)C(O)CO,"InChI=1S/C8H17NO7/c10-2-1-9-8(16)7(15)6(14)5(13)4(12)3-11/h4-7,10-15H,1-3H2,(H,9,16)",DTMUKVUZNZJFNO,UHFFFAOYSA,N,N-Gluconyl ethanolamine,DTMUKVUZNZJFNO-UHFFFAOYSA-N
HMDB32294,319.066832313,C8H18NO10P,OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NCCOP(O)(O)=O,"InChI=1S/C8H18NO10P/c10-3-4(11)5(12)6(13)7(14)8(15)9-1-2-19-20(16,17)18/h4-7,10-14H,1-3H2,(H,9,15)(H2,16,17,18)/t4-,5+,6+,7-/m1/s1",JNXDTQSHHDGYGF,JRTVQGFMSA,N,N-Gluconyl ethanolamine phosphate,JNXDTQSHHDGYGF-JRTVQGFMSA-N
HMDB32295,364.064840817,C17H17ClN2O3S,ClC1=CC=CC=C1C(=O)N1CCN(CC1)S(=O)(=O)C1=CC=CC=C1,"InChI=1S/C17H17ClN2O3S/c18-16-9-5-4-8-15(16)17(21)19-10-12-20(13-11-19)24(22,23)14-6-2-1-3-7-14/h1-9H,10-13H2",WNQJZQMIEZWFIN,UHFFFAOYSA,N,Glucose isomerase from streptomyces rubiginosus,WNQJZQMIEZWFIN-UHFFFAOYSA-N
HMDB32296,414.370910088,C25H50O4,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3",OKMWKBLSFKFYGZ,UHFFFAOYSA,N,Glyceryl behenate,OKMWKBLSFKFYGZ-UHFFFAOYSA-N
HMDB32297,262.178023942,C13H26O5,CCCCCC(O)CCCC(=O)OCC(O)CO,"InChI=1S/C13H26O5/c1-2-3-4-6-11(15)7-5-8-13(17)18-10-12(16)9-14/h11-12,14-16H,2-10H2,1H3",ILJDYMFZBMWGGZ,UHFFFAOYSA,N,Glyceryl 5-hydroxydecanoate,ILJDYMFZBMWGGZ-UHFFFAOYSA-N
HMDB32298,428.31378914,C24H44O6,CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)COC(C)C(O)=O,"InChI=1S/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)30-22(19-25)20-29-21(2)24(27)28/h10-11,21-22,25H,3-9,12-20H2,1-2H3,(H,27,28)/b11-10-",KOLAFJFESDNVMY,KHPPLWFESA,N,Glyceryl lactooleate,KOLAFJFESDNVMY-KHPPLWFESA-N
HMDB32299,404.105544476,C20H16N6O2S,COC1=CC=CC(OC)=C1C1=NN2C(S1)=NN=C2C1=NNC(=C1)C1=CC=CC=C1,"InChI=1S/C20H16N6O2S/c1-27-15-9-6-10-16(28-2)17(15)19-25-26-18(23-24-20(26)29-19)14-11-13(21-22-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,22)",FADKMVWORSHBKJ,UHFFFAOYSA,N,Glyceryl lactopalmitate,FADKMVWORSHBKJ-UHFFFAOYSA-N
HMDB32300,632.559104786,C37H76O7,OCC(O)CO.CCCCCCCCCCCCCCCC(O)=O.CCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C18H36O2.C16H32O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4-1-3(6)2-5/h2-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18);3-6H,1-2H2",FETSQPAGYOVAQU,UHFFFAOYSA,N,Glyceryl palmitostearate,FETSQPAGYOVAQU-UHFFFAOYSA-N
HMDB32301,112.088815006,C7H12O,CC\C=C\C=C\CO,"InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3+,6-5+",MDRZSADXFOPYOC,VNKDHWASSA,N,trans-2-trans-4-Heptadien-1-ol,MDRZSADXFOPYOC-VNKDHWASSA-N
HMDB32302,172.146329884,C10H20O2,CCCCCCC1OCC(C)O1,"InChI=1S/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3",GFNFPBSXMBRHRU,UHFFFAOYSA,N,Heptanal propyleneglycol acetal,GFNFPBSXMBRHRU-UHFFFAOYSA-N
HMDB32303,132.097271202,C7H16S,CCCCCC(C)S,"InChI=1S/C7H16S/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3",DAZNOIJJVKASGS,UHFFFAOYSA,N,2-Heptanethiol,DAZNOIJJVKASGS-UHFFFAOYSA-N
HMDB32304,132.097271202,C7H16S,CCCCCCCS,"InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3",VPIAKHNXCOTPAY,UHFFFAOYSA,N,Heptane-1-thiol,VPIAKHNXCOTPAY-UHFFFAOYSA-N
HMDB32305,263.152143543,C15H21NO3,CCCC(CCC)NC(=O)C1=CC=C2OCOC2=C1,"InChI=1S/C15H21NO3/c1-3-5-12(6-4-2)16-15(17)11-7-8-13-14(9-11)19-10-18-13/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)",YOBNUUGTIXQSPD,UHFFFAOYSA,N,"N-(Heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide",YOBNUUGTIXQSPD-UHFFFAOYSA-N
HMDB32306,202.084123558,C9H14O5,CCOC(=O)C(C)C(=O)C(=O)OCC,"InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3",OQOCQBJWOCRPQY,UHFFFAOYSA,N,4-Heptenal diethyl acetal,OQOCQBJWOCRPQY-UHFFFAOYSA-N
HMDB32307,156.115029756,C9H16O2,CCCC\C=C\COC(C)=O,"InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+",AWCPMVVOGVEPRC,VOTSOKGWSA,N,Hept-trans-2-en-1-yl acetate,AWCPMVVOGVEPRC-VOTSOKGWSA-N
HMDB32308,184.146329884,C11H20O2,CCC\C=C\CCOC(=O)C(C)C,"InChI=1S/C11H20O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+",RMOVDPSOWOBAKR,VOTSOKGWSA,N,(E)-3-Heptenyl 2-methylpropanoate,RMOVDPSOWOBAKR-VOTSOKGWSA-N
HMDB32309,158.13067982,C9H18O2,CCCCC(CC)OC(C)=O,"InChI=1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3",QICIMADZMWGDTQ,UHFFFAOYSA,N,3-Heptyl acetate,QICIMADZMWGDTQ-UHFFFAOYSA-N
HMDB32310,200.177630012,C12H24O2,CCCCCC(CC)OC(=O)CCC,"InChI=1S/C12H24O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h11H,4-10H2,1-3H3",USSKZVIXWTWCGK,UHFFFAOYSA,N,2-Heptyl butyrate,USSKZVIXWTWCGK-UHFFFAOYSA-N
HMDB32311,140.083729628,C8H12O2,C\C=C\C=C\COC(C)=O,"InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+",PXVKYPFROMBALG,VNKDHWASSA,N,"2,4-Hexadienyl acetate",PXVKYPFROMBALG-VNKDHWASSA-N
HMDB32312,168.115029756,C10H16O2,CCCC(=O)OC\C=C\C=C\C,"InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-7H,4,8-9H2,1-2H3/b5-3+,7-6+",PTJGYWXDEDRLPB,TWTPFVCWSA,N,"2,4-Hexadienyl butyrate",PTJGYWXDEDRLPB-TWTPFVCWSA-N
HMDB32313,168.115029756,C10H16O2,C\C=C\C=C\COC(=O)C(C)C,"InChI=1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7,9H,8H2,1-3H3/b5-4+,7-6+",CVYBRMSQMLJGOI,YTXTXJHMSA,N,"2,4-Hexadienyl isobutyrate",CVYBRMSQMLJGOI-YTXTXJHMSA-N
HMDB32314,154.099379692,C9H14O2,CCC(=O)OC\C=C\C=C\C,"InChI=1S/C9H14O2/c1-3-5-6-7-8-11-9(10)4-2/h3,5-7H,4,8H2,1-2H3/b5-3+,7-6+",ZVBREIRNEOXCKQ,TWTPFVCWSA,N,"2,4-Hexadienyl propionate",ZVBREIRNEOXCKQ-TWTPFVCWSA-N
HMDB32315,172.146329884,C10H20O2,CCCCCC1OC(C)C(C)O1,"InChI=1S/C10H20O2/c1-4-5-6-7-10-11-8(2)9(3)12-10/h8-10H,4-7H2,1-3H3",CMOJDAJROWMHLQ,UHFFFAOYSA,N,"Hexanal butane-2,3-diol acetal",CMOJDAJROWMHLQ-UHFFFAOYSA-N
HMDB32316,286.28718046,C18H38O2,CCCCCCOC(CCCCC)OCCCCCC,"InChI=1S/C18H38O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h18H,4-17H2,1-3H3",JAMIQGJXDPTFJL,UHFFFAOYSA,N,Hexanal dihexyl acetal,JAMIQGJXDPTFJL-UHFFFAOYSA-N
HMDB32317,272.271530396,C17H36O2,CCCCCCOC(CCCCC)OCCC(C)C,"InChI=1S/C17H36O2/c1-5-7-9-11-14-18-17(12-10-8-6-2)19-15-13-16(3)4/h16-17H,5-15H2,1-4H3",BFNIPPNBSJGEQI,UHFFFAOYSA,N,Hexanal hexyl isoamyl acetal,BFNIPPNBSJGEQI-UHFFFAOYSA-N
HMDB32318,228.20893014,C14H28O2,CCCCCC1CCOC(CCCCC)O1,"InChI=1S/C14H28O2/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2/h13-14H,3-12H2,1-2H3",JTGGXBHDIVDFHP,UHFFFAOYSA,N,"Hexanal octane-1,3-diol acetal",JTGGXBHDIVDFHP-UHFFFAOYSA-N
HMDB32319,168.115029756,C10H16O2,CC\C=C/CCOC(=O)\C=C\C,"InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4+",KITGYVIOYOCIIE,QNMAEOQASA,N,cis-3-Hexenyl crotonate,KITGYVIOYOCIIE-QNMAEOQASA-N
HMDB32320,184.146329884,C11H20O2,CCC=CCCOC(=O)C(C)CC,"InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3",JKKGTSUICJWEKB,UHFFFAOYSA,N,3-Hexenyl 2-methylbutyrate,JKKGTSUICJWEKB-UHFFFAOYSA-N
HMDB32321,226.193280076,C14H26O2,CCCCCCCC(=O)OC\C=C\CCC,"InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h8,11H,3-7,9-10,12-13H2,1-2H3/b11-8+",IRUGSDVUJNNIMW,DHZHZOJOSA,N,2-Hexenyl octanoate,IRUGSDVUJNNIMW-DHZHZOJOSA-N
HMDB32322,290.07903818,C15H14O6,O[C@H]1[C@@H](O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C=C1,"InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H/t13-,14-,15+/m0/s1",FSVMLWOLZHGCQX,SOUVJXGZSA,N,cis-3 and trans-2-Hexenyl propionate,FSVMLWOLZHGCQX-SOUVJXGZSA-N
HMDB32323,101.120449485,C6H15N,CCCCCCN,"InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3",BMVXCPBXGZKUPN,UHFFFAOYSA,N,Hexylamine,BMVXCPBXGZKUPN-UHFFFAOYSA-N
HMDB32324,256.240230268,C16H32O2,CCCCCCCCCC(=O)OCCCCCC,"InChI=1S/C16H32O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3-15H2,1-2H3",DGPNTCACXCHFDI,UHFFFAOYSA,N,Hexyl decanoate,DGPNTCACXCHFDI-UHFFFAOYSA-N
HMDB32325,186.161979948,C11H22O2,CCCCCCC1OC(C)C(C)O1,"InChI=1S/C11H22O2/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h9-11H,4-8H2,1-3H3",MTNLKAOONWIMIT,UHFFFAOYSA,N,"2-Hexyl-4,5-dimethyl-1,3-dioxolane",MTNLKAOONWIMIT-UHFFFAOYSA-N
HMDB32326,638.237664084,C35H34N4O8,COC1=CC=C(O[C@H]2C=C[C@H](O[C@@H]2CO\N=C2/[C@H]3O[C@H]3[C@@H](O)[C@H]3[C@@H]2CCN2N3C(=O)N(C2=O)C2=CC=CC=C2)C2=CC=CC=C2)C=C1,"InChI=1S/C35H34N4O8/c1-43-23-12-14-24(15-13-23)45-27-17-16-26(21-8-4-2-5-9-21)46-28(27)20-44-36-29-25-18-19-37-34(41)38(22-10-6-3-7-11-22)35(42)39(37)30(25)31(40)33-32(29)47-33/h2-17,25-28,30-33,40H,18-20H2,1H3/b36-29-/t25-,26+,27+,28-,30-,31+,32-,33+/m1/s1",JMHXWPSJVFXBGB,MHWGFBSGSA,N,Hexyl heptanoate,JMHXWPSJVFXBGB-MHWGFBSGSA-N
HMDB32327,204.118400574,C10H20O2S,CCCCCCOC(=O)CC(C)S,"InChI=1S/C10H20O2S/c1-3-4-5-6-7-12-10(11)8-9(2)13/h9,13H,3-8H2,1-2H3",HDYQKQAKXIPCAP,UHFFFAOYSA,N,Hexyl 3-mercaptobutanoate,HDYQKQAKXIPCAP-UHFFFAOYSA-N
HMDB32328,242.224580204,C15H30O2,CCCCCCCCC(=O)OCCCCCC,"InChI=1S/C15H30O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h3-14H2,1-2H3",GPHBCFMWKGZPRP,UHFFFAOYSA,N,Hexyl nonanoate,GPHBCFMWKGZPRP-UHFFFAOYSA-N
HMDB32329,168.097271202,C10H16S,CCCCCCC1=CC=CS1,"InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3",QZVHYFUVMQIGGM,UHFFFAOYSA,N,2-Hexylthiophene,QZVHYFUVMQIGGM-UHFFFAOYSA-N
HMDB32330,84.021129372,C4H4O2,O=C1OCC=C1,"InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2",VIHAEDVKXSOUAT,UHFFFAOYSA,N,4-Hydroxy-2-butenoic acid gamma-lactone,VIHAEDVKXSOUAT-UHFFFAOYSA-N
HMDB32331,196.146329884,C12H20O2,CCCCC\C=C/CC1CCC(=O)O1,"InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3/b7-6-",QFXOXDSHNXAFEY,SREVYHEPSA,N,(Z)-4-Hydroxy-6-dodecenoic acid lactone,QFXOXDSHNXAFEY-SREVYHEPSA-N
HMDB32332,148.048406754,C4H8N2O4,N[C@@H](CC(=O)NO)C(O)=O,"InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",ZBYVTTSIVDYQSO,REOHCLBHSA,N,Hydroxylated lecithin,ZBYVTTSIVDYQSO-REOHCLBHSA-N
HMDB32333,126.068079562,C7H10O2,CC1(CCC(=O)O1)C=C,"InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3",QESPSAHXYXIGBG,UHFFFAOYSA,N,4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone,QESPSAHXYXIGBG-UHFFFAOYSA-N
HMDB32334,156.02450019,C7H8O2S,CC(=O)C1=C(O)C=C(C)S1,"InChI=1S/C7H8O2S/c1-4-3-6(9)7(10-4)5(2)8/h3,9H,1-2H3",IOOPSZCABYNBDZ,UHFFFAOYSA,N,1-(3-Hydroxy-5-methyl-2-thienyl)ethanone,IOOPSZCABYNBDZ-UHFFFAOYSA-N
HMDB32335,144.115029756,C8H16O2,CCCCCC(O)C(C)=O,"InChI=1S/C8H16O2/c1-3-4-5-6-8(10)7(2)9/h8,10H,3-6H2,1-2H3",QWEHQNZGVUHHME,UHFFFAOYSA,N,3-Hydroxy-2-octanone,QWEHQNZGVUHHME-UHFFFAOYSA-N
HMDB32336,164.083729628,C10H12O2,CC(=O)C(O)CC1=CC=CC=C1,"InChI=1S/C10H12O2/c1-8(11)10(12)7-9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3",QBCUUJGHWFKMDC,UHFFFAOYSA,N,3-Hydroxy-4-phenylbutan-2-one,QBCUUJGHWFKMDC-UHFFFAOYSA-N
HMDB32337,265.073893223,C16H11NO3,OC(=O)C1=C(O)C(=NC2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)",XAPRFLSJBSXESP,UHFFFAOYSA,N,Hydroxypropyl cellulose,XAPRFLSJBSXESP-UHFFFAOYSA-N
HMDB32340,252.20893014,C16H28O2,O=C1CCCCCCC\C=C/CCCCCCO1,"InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-",QILMAYXCYBTEDM,IWQZZHSRSA,N,Isoambrettolide,QILMAYXCYBTEDM-IWQZZHSRSA-N
HMDB32341,129.061220047,C6H11NS,CC(C)CCN=C=S,"InChI=1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3",JATNWMBUDXLMEO,UHFFFAOYSA,N,Isoamyl isothiocyanate,JATNWMBUDXLMEO-UHFFFAOYSA-N
HMDB32342,224.177630012,C14H24O2,CC(C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m0/s1",KRKIAJBQOUBNSE,COPLHBTASA,N,Isobornyl isobutyrate,KRKIAJBQOUBNSE-COPLHBTASA-N
HMDB32343,238.193280076,C15H26O2,CCC(C)C(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1S/C15H26O2/c1-6-10(2)13(16)17-12-9-11-7-8-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3",CEVCMCWHMHJEQS,UHFFFAOYSA,N,Isobornyl 2-methylbutyrate,CEVCMCWHMHJEQS-UHFFFAOYSA-N
HMDB32344,124.125200512,C9H16,CC(C)=C.CC(=C)C=C,"InChI=1S/C5H8.C4H8/c1-4-5(2)3;1-4(2)3/h4H,1-2H2,3H3;1H2,2-3H3",VHOQXEIFYTTXJU,UHFFFAOYSA,N,Isobutylene-isoprene copolymer,VHOQXEIFYTTXJU-UHFFFAOYSA-N
HMDB32345,115.045569983,C5H9NS,CC(C)CN=C=S,"InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3",NSDDRJXKROCWRZ,UHFFFAOYSA,N,Isobutyl isothiocyanate,NSDDRJXKROCWRZ-UHFFFAOYSA-N
HMDB32346,190.10275051,C9H18O2S,CSC(C)CC(=O)OCC(C)C,"InChI=1S/C9H18O2S/c1-7(2)6-11-9(10)5-8(3)12-4/h7-8H,5-6H2,1-4H3",RRGSLXQIRFOAEM,UHFFFAOYSA,N,(+/-)-Isobutyl 3-methylthiobutyrate,RRGSLXQIRFOAEM-UHFFFAOYSA-N
HMDB32347,240.20893014,C15H28O2,CC(C)COC(=O)CCCCCCCCC=C,"InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-15(16)17-13-14(2)3/h4,14H,1,5-13H2,2-3H3",YXJSBTYPYXKWDB,UHFFFAOYSA,N,Isobutyl 10-undecenoate,YXJSBTYPYXKWDB-UHFFFAOYSA-N
HMDB32348,206.094294314,C12H14O3,COC1=C(OC(C)=O)C=CC(\C=C\C)=C1,"InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+",IUSBVFZKQJGVEP,SNAWJCMRSA,N,Isoeugenyl acetate,IUSBVFZKQJGVEP-SNAWJCMRSA-N
HMDB32349,254.13067982,C17H18O2,COC1=C(OCC2=CC=CC=C2)C=CC(\C=C\C)=C1,"InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+",YKSSSKBJDZDZTD,XVNBXDOJSA,N,Isoeugenyl benzyl ether,YKSSSKBJDZDZTD-XVNBXDOJSA-N
HMDB32350,155.167399677,C10H21N,CC(C)CC\N=C\CC(C)C,"InChI=1S/C10H21N/c1-9(2)5-7-11-8-6-10(3)4/h7,9-10H,5-6,8H2,1-4H3/b11-7+",WYNULUURQZBBSK,YRNVUSSQSA,N,Isopentylideneisopentylamine,WYNULUURQZBBSK-YRNVUSSQSA-N
HMDB32351,100.0524295,C5H8O2,CC(=C)OC(C)=O,"InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3",HETCEOQFVDFGSY,UHFFFAOYSA,N,Isopropenyl acetate,HETCEOQFVDFGSY-UHFFFAOYSA-N
HMDB32352,172.073558872,C8H12O4,CC(=C)C(CC(O)=O)CC(O)=O,"InChI=1S/C8H12O4/c1-5(2)6(3-7(9)10)4-8(11)12/h6H,1,3-4H2,2H3,(H,9,10)(H,11,12)",PULOWZXUQOLRBK,UHFFFAOYSA,N,3-Isopropenylpentanedioic acid,PULOWZXUQOLRBK-UHFFFAOYSA-N
HMDB32353,250.10525293,C10H18O7,CC(C)O.CC(=O)CC(O)(CC(O)=O)C(O)=O,"InChI=1S/C7H10O6.C3H8O/c1-4(8)2-7(13,6(11)12)3-5(9)10;1-3(2)4/h13H,2-3H2,1H3,(H,9,10)(H,11,12);3-4H,1-2H3",XBLJCYOUYPSETL,UHFFFAOYSA,N,Isopropyl citrate,XBLJCYOUYPSETL-UHFFFAOYSA-N
HMDB32354,158.07653576,C8H14OS,CC(C)SC(=O)C=C(C)C,"InChI=1S/C8H14OS/c1-6(2)5-8(9)10-7(3)4/h5,7H,1-4H3",IZVXTRDVESJRTA,UHFFFAOYSA,N,S-Isopropyl 3-methylbut-2-enethioate,IZVXTRDVESJRTA-UHFFFAOYSA-N
HMDB32355,194.167065326,C13H22O,CC(C)C(CCC(C)=O)\C=C\C(C)=C,"InChI=1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3/b8-6+",PQDRXUSSKFWCFA,SOFGYWHQSA,N,"(+/-)-[R-(E)]-5-Isopropyl-8-methylnona-6,8-dien-2-one",PQDRXUSSKFWCFA-SOFGYWHQSA-N
HMDB32356,133.073893223,C5H11NO3,CC(O)C(=O)NCCO,"InChI=1S/C5H11NO3/c1-4(8)5(9)6-2-3-7/h4,7-8H,2-3H2,1H3,(H,6,9)",RZCHTMXTKQHYDT,UHFFFAOYSA,N,N-Lactoyl ethanolamine,RZCHTMXTKQHYDT-UHFFFAOYSA-N
HMDB32357,213.040223633,C5H12NO6P,CC(O)C(=O)NCCOP(O)(O)=O,"InChI=1S/C5H12NO6P/c1-4(7)5(8)6-2-3-12-13(9,10)11/h4,7H,2-3H2,1H3,(H,6,8)(H2,9,10,11)",CKXSSEHWXMVQRZ,UHFFFAOYSA,N,N-Lactoyl ethanolamine phosphate,CKXSSEHWXMVQRZ-UHFFFAOYSA-N
HMDB32358,287.246043927,C16H33NO3,CCCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3",AOMUHOFOVNGZAN,UHFFFAOYSA,N,Lauroyl diethanolamide,AOMUHOFOVNGZAN-UHFFFAOYSA-N
HMDB32365,196.073558872,C10H12O4,CC(C)C(=O)OC1=C(C)OC=CC1=O,"InChI=1S/C10H12O4/c1-6(2)10(12)14-9-7(3)13-5-4-8(9)11/h4-6H,1-3H3",VSBHYRPUJHEOBE,UHFFFAOYSA,N,Maltyl isobutyrate,VSBHYRPUJHEOBE-UHFFFAOYSA-N
HMDB32367,297.093582807,C16H15N3OS,COC1=CC=CC=C1C1=NC(SCC2=CC=CC=C2)=NN1,"InChI=1S/C16H15N3OS/c1-20-14-10-6-5-9-13(14)15-17-16(19-18-15)21-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,18,19)",MOHAAJWDZWJRHY,UHFFFAOYSA,N,"L-Menthone 1,2-glycerol ketal",MOHAAJWDZWJRHY-UHFFFAOYSA-N
HMDB32368,318.204238692,C16H30O6,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C16H30O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h8-20H,4-7H2,1-3H3/t9-,10+,11-,12-,13-,14+,15-,16-/m1/s1",GZSDZJZIZBGBON,NZZARTGWSA,N,Menthyl pyrrolidone carboxylate,GZSDZJZIZBGBON-NZZARTGWSA-N
HMDB32369,240.172544634,C14H24O3,CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CC(C)=O,"InChI=1S/C14H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13-/m0/s1",QSVQIPXQOCAWHP,UHTWSYAYSA,N,L-Menthyl acetoacetate,QSVQIPXQOCAWHP-UHTWSYAYSA-N
HMDB32370,242.188194698,C14H26O3,CC(O)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,"InChI=1S/C14H26O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1",XSJPRWBZLUYOOI,IBSWDFHHSA,N,"L-Menthyl (R,S)-3-hydroxybutyrate",XSJPRWBZLUYOOI-IBSWDFHHSA-N
HMDB32371,170.167065326,C11H22O,COC1CC(C)CCC1C(C)C,"InChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3",JDGJLPHFRJNJMN,UHFFFAOYSA,N,1-Menthyl methyl ether,JDGJLPHFRJNJMN-UHFFFAOYSA-N
HMDB32372,190.10275051,C9H18O2S,CCCCC(S)CCOC(C)=O,"InChI=1S/C9H18O2S/c1-3-4-5-9(12)6-7-11-8(2)10/h9,12H,3-7H2,1-2H3",JWESHEXXXWDVAQ,UHFFFAOYSA,N,3-Mercaptoheptyl acetate,JWESHEXXXWDVAQ-UHFFFAOYSA-N
HMDB32373,120.060885696,C5H12OS,CCC(C)C(O)S,"InChI=1S/C5H12OS/c1-3-4(2)5(6)7/h4-7H,3H2,1-2H3",MRVKDGZLSALAIU,UHFFFAOYSA,N,3-Mercapto-2-methyl-1-butanol,MRVKDGZLSALAIU-UHFFFAOYSA-N
HMDB32374,134.07653576,C6H14OS,CCCC(C)(S)CO,"InChI=1S/C6H14OS/c1-3-4-6(2,8)5-7/h7-8H,3-5H2,1-2H3",KMWFJTAZFAREIH,UHFFFAOYSA,N,2-Mercapto-2-methyl-1-pentanol,KMWFJTAZFAREIH-UHFFFAOYSA-N
HMDB32375,134.07653576,C6H14OS,CC(O)CC(C)(C)S,"InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3",FDBQLLMYSACLPB,UHFFFAOYSA,N,(+/-)-4-Mercapto-4-methyl-2-pentanol,FDBQLLMYSACLPB-UHFFFAOYSA-N
HMDB32376,118.045235632,C5H10OS,CC(S)CC(C)=O,"InChI=1S/C5H10OS/c1-4(6)3-5(2)7/h5,7H,3H2,1-2H3",KHIPEWLRUGVKIC,UHFFFAOYSA,N,4-Mercapto-2-pentanone,KHIPEWLRUGVKIC-UHFFFAOYSA-N
HMDB32377,170.112921266,C10H18S,CC1(C)C2CC1C(C)(S)CC2,"InChI=1S/C10H18S/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3",ZPUCQOXKFCVYGL,UHFFFAOYSA,N,"2,3 or 10-Mercaptopinane",ZPUCQOXKFCVYGL-UHFFFAOYSA-N
HMDB32378,176.087100446,C8H16O2S,CCCC(=O)OCCCSC,"InChI=1S/C8H16O2S/c1-3-5-8(9)10-6-4-7-11-2/h3-7H2,1-2H3",HSCZLQOPSGMKTK,UHFFFAOYSA,N,Methionyl butyrate,HSCZLQOPSGMKTK-UHFFFAOYSA-N
HMDB32379,170.167065326,C11H22O,CCCCCCCC\C=C\OC,"InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11-12-2/h10-11H,3-9H2,1-2H3/b11-10+",OVQHJRCXRNGXRJ,ZHACJKMWSA,N,trans- and cis-1-Methoxy-1-decene,OVQHJRCXRNGXRJ-ZHACJKMWSA-N
HMDB32380,162.107835888,C8H18OS,CCCC[C@H](S)CCOC,"InChI=1S/C8H18OS/c1-3-4-5-8(10)6-7-9-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1",HRYCNFLXCKVTER,QMMMGPOBSA,N,(S1)-Methoxy-3-heptanethiol,HRYCNFLXCKVTER-QMMMGPOBSA-N
HMDB32381,152.094963016,C8H12N2O,CC(C)COC1=CN=CC=N1,"InChI=1S/C8H12N2O/c1-7(2)6-11-8-5-9-3-4-10-8/h3-5,7H,6H2,1-2H3",QTGLHXAZBOTUIJ,UHFFFAOYSA,N,2-Methoxy-(3 or 5 or 6)-isopropylpyrazine,QTGLHXAZBOTUIJ-UHFFFAOYSA-N
HMDB32382,341.173941617,C19H23N3O3,COC1=C(CNC(=O)C(=O)NCCC2=NC=C(C)C=C2)C=CC(C)=C1,"InChI=1S/C19H23N3O3/c1-13-4-6-15(17(10-13)25-3)12-22-19(24)18(23)20-9-8-16-7-5-14(2)11-21-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,23)(H,22,24)",GDMDCNCFVKXNAN,UHFFFAOYSA,N,N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide,GDMDCNCFVKXNAN-UHFFFAOYSA-N
HMDB32383,327.158291553,C18H21N3O3,COC1=C(CNC(=O)C(=O)NCCC2=CC=CC=N2)C=CC(C)=C1,"InChI=1S/C18H21N3O3/c1-13-6-7-14(16(11-13)24-2)12-21-18(23)17(22)20-10-8-15-5-3-4-9-19-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23)",DWXUCYSOIKPLJM,UHFFFAOYSA,N,N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide,DWXUCYSOIKPLJM-UHFFFAOYSA-N
HMDB32384,140.040818956,C6H8N2S,CSC1=C(C)N=CC=N1,"InChI=1S/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3",PPPFFGVGWFKTHX,UHFFFAOYSA,N,2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers),PPPFFGVGWFKTHX-UHFFFAOYSA-N
HMDB32385,100.0524295,C5H8O2,COC(=O)C(C)=C,"InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3",VVQNEPGJFQJSBK,UHFFFAOYSA,N,Methyl methacrylate,VVQNEPGJFQJSBK-UHFFFAOYSA-N
HMDB32386,422.23382426,C20H38O7S,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(O)(=O)=O,"InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)",HNSDLXPSAYFUHK,UHFFFAOYSA,N,2-Methylacetophenone,HNSDLXPSAYFUHK-UHFFFAOYSA-N
HMDB32387,188.104859,C9H16O4,COC(=O)CCCC(C)OC(C)=O,"InChI=1S/C9H16O4/c1-7(13-8(2)10)5-4-6-9(11)12-3/h7H,4-6H2,1-3H3",XZGQJRXRXRYNRI,UHFFFAOYSA,N,(+/-)-Methyl 5-acetoxyhexanoate,XZGQJRXRXRYNRI-UHFFFAOYSA-N
HMDB32388,193.073893223,C10H11NO3,COC(=O)C1=CC=CC=C1NC(C)=O,"InChI=1S/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)",UYQKZKVNYKOXHG,UHFFFAOYSA,N,Methyl n-acetylanthranilate,UYQKZKVNYKOXHG-UHFFFAOYSA-N
HMDB32389,398.116109162,C18H18N6O3S,COC1=CC=C(C=C1)C(=O)NNC(=O)CSC1=NN=C(N1C)C1=CN=CC=C1,"InChI=1S/C18H18N6O3S/c1-24-16(13-4-3-9-19-10-13)21-23-18(24)28-11-15(25)20-22-17(26)12-5-7-14(27-2)8-6-12/h3-10H,11H2,1-2H3,(H,20,25)(H,22,26)",VZAIFVKTKJTLKF,UHFFFAOYSA,N,"Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer",VZAIFVKTKJTLKF-UHFFFAOYSA-N
HMDB32390,133.052763851,C8H7NO,CC1=NC2=CC=CC=C2O1,"InChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3",DQSHFKPKFISSNM,UHFFFAOYSA,N,"2-Methyl-4,5-benzoxazole",DQSHFKPKFISSNM-UHFFFAOYSA-N
HMDB32391,128.083729628,C7H12O2,CC(=C)CCOC(C)=O,"InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h1,4-5H2,2-3H3",OCUAPVNNQFAQSM,UHFFFAOYSA,N,3-Methyl-3-butenyl acetate,OCUAPVNNQFAQSM-UHFFFAOYSA-N
HMDB32392,87.104799421,C5H13N,CCC(C)CN,"InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3",VJROPLWGFCORRM,UHFFFAOYSA,N,2-Methylbutylamine,VJROPLWGFCORRM-UHFFFAOYSA-N
HMDB32393,170.13067982,C10H18O2,CCC(C)COC(=O)C=C(C)C,"InChI=1S/C10H18O2/c1-5-9(4)7-12-10(11)6-8(2)3/h6,9H,5,7H2,1-4H3",CEVOEEDUEYZGMY,UHFFFAOYSA,N,2-Methylbutyl 3-methyl-2-butenoate,CEVOEEDUEYZGMY-UHFFFAOYSA-N
HMDB32394,160.0524295,C10H8O2,CC1=CC2=C(OC(=O)C=C2)C=C1,"InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3",FXFYOPQLGGEACP,UHFFFAOYSA,N,6-Methylcoumarin,FXFYOPQLGGEACP-UHFFFAOYSA-N
HMDB32395,94.07825032,C7H10,CC1=CCCC=C1,"InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3",XMWINMVFKPHMJB,UHFFFAOYSA,N,"2-Methyl-1,3-cyclohexadiene",XMWINMVFKPHMJB-UHFFFAOYSA-N
HMDB32396,184.146329884,C11H20O2,CCCCCCC\C=C\C(=O)OC,"InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-8H2,1-2H3/b10-9+",VVBWOSGRZNCEBX,MDZDMXLPSA,N,Methyl 2-decenoate,VVBWOSGRZNCEBX-MDZDMXLPSA-N
HMDB32397,206.167065326,C14H22O,CCC(=O)\C=C\C1C(C)C=CCC1(C)C,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h6-9,11,13H,5,10H2,1-4H3/b9-8+",ZQJCPDKTEXSWTH,CMDGGOBGSA,N,Methyl-delta-ionone,ZQJCPDKTEXSWTH-CMDGGOBGSA-N
HMDB32398,179.058243159,C9H9NO3,COC(=O)C1=CC=CC=C1NC=O,"InChI=1S/C9H9NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-6H,1H3,(H,10,11)",HRNPZFOYXWWMFL,UHFFFAOYSA,N,Methyl n-formylanthranilate,HRNPZFOYXWWMFL-UHFFFAOYSA-N
HMDB32399,152.047344122,C8H8O3,COC(=O)\C=C\C1=CC=CO1,"InChI=1S/C8H8O3/c1-10-8(9)5-4-7-3-2-6-11-7/h2-6H,1H3/b5-4+",PLNJUBIUGVATKW,SNAWJCMRSA,N,Methyl furfuracrylate,PLNJUBIUGVATKW-SNAWJCMRSA-N
HMDB32400,136.0524295,C8H8O2,CC1=CC=C(O1)\C=C\C=O,"InChI=1S/C8H8O2/c1-7-4-5-8(10-7)3-2-6-9/h2-6H,1H3/b3-2+",XYYLGSWUPMPWLD,NSCUHMNNSA,N,3-(5-Methyl-2-furyl)prop-2-enal,XYYLGSWUPMPWLD-NSCUHMNNSA-N
HMDB32401,184.055800318,C9H12O2S,CC(SC1=C(C)OC=C1)C(C)=O,"InChI=1S/C9H12O2S/c1-6(10)8(3)12-9-4-5-11-7(9)2/h4-5,8H,1-3H3",AOEYNSLUBHRZPA,UHFFFAOYSA,N,(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone,AOEYNSLUBHRZPA-UHFFFAOYSA-N
HMDB32402,128.120115134,C8H16O,CCCCC(=O)C(C)C,"InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3",XYYMFUCZDNNGFS,UHFFFAOYSA,N,2-Methyl-3-heptanone,XYYMFUCZDNNGFS-UHFFFAOYSA-N
HMDB32403,126.10446507,C8H14O,CC(C)C\C=C\C(C)=O,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h4,6-7H,5H2,1-3H3/b6-4+",RSNMTAYSENLHOW,GQCTYLIASA,N,"6-Methyl-3-hepten-2-one, trans-",RSNMTAYSENLHOW-GQCTYLIASA-N
HMDB32404,184.146329884,C11H20O2,CC1COC(C)(CCC=C(C)C)O1,"InChI=1S/C11H20O2/c1-9(2)6-5-7-11(4)12-8-10(3)13-11/h6,10H,5,7-8H2,1-4H3",WBZMYLUNPPFHTA,UHFFFAOYSA,N,6-Methyl-5-hepten-2-one propyleneglycol acetal,WBZMYLUNPPFHTA-UHFFFAOYSA-N
HMDB32405,114.10446507,C7H14O,CCCC(C)CC=O,"InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3",ZSJUABCTGCNBPF,UHFFFAOYSA,N,3-Methylhexanal,ZSJUABCTGCNBPF-UHFFFAOYSA-N
HMDB32406,158.13067982,C9H18O2,CC(C)CCCCOC(C)=O,"InChI=1S/C9H18O2/c1-8(2)6-4-5-7-11-9(3)10/h8H,4-7H2,1-3H3",OOYBITFWBADNKC,UHFFFAOYSA,N,5-Methylhexyl acetate,OOYBITFWBADNKC-UHFFFAOYSA-N
HMDB32407,116.120115134,C7H16O,CCCCCCOC,"InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3",ICBJCVRQDSQPGI,UHFFFAOYSA,N,Methyl hexyl ether,ICBJCVRQDSQPGI-UHFFFAOYSA-N
HMDB32408,150.053691828,C6H14S2,CSSCCC(C)C,"InChI=1S/C6H14S2/c1-6(2)4-5-8-7-3/h6H,4-5H2,1-3H3",XTTOMWDBKHINLK,UHFFFAOYSA,N,Methyl isopentyl disulfide,XTTOMWDBKHINLK-UHFFFAOYSA-N
HMDB32409,134.040150254,C5H10O2S,COC(=O)CC(C)S,"InChI=1S/C5H10O2S/c1-4(8)3-5(6)7-2/h4,8H,3H2,1-2H3",BHDKXXOGPCSBQI,UHFFFAOYSA,N,Methyl 3-mercaptobutanoate,BHDKXXOGPCSBQI-UHFFFAOYSA-N
HMDB32410,148.055800318,C6H12O2S,COC(=O)CC(C)SC,"InChI=1S/C6H12O2S/c1-5(9-3)4-6(7)8-2/h5H,4H2,1-3H3",HJJHJUWCICDDEL,UHFFFAOYSA,N,Methyl 3-(methylthio)butanoate,HJJHJUWCICDDEL-UHFFFAOYSA-N
HMDB32411,116.065971074,C6H12S,CSC\C(C)=C\C,"InChI=1S/C6H12S/c1-4-6(2)5-7-3/h4H,5H2,1-3H3/b6-4+",PBWZEERIWACABP,GQCTYLIASA,N,2-Methyl-1-methylthio-2-butene,PBWZEERIWACABP-GQCTYLIASA-N
HMDB32412,170.073164942,C12H10O,CC(=O)C1=CC2=CC=CC=C2C=C1,"InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3",XSAYZAUNJMRRIR,UHFFFAOYSA,N,Methyl beta-naphthyl ketone,XSAYZAUNJMRRIR-UHFFFAOYSA-N
HMDB32413,156.115029756,C9H16O2,CCCCC\C=C\C(=O)OC,"InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+",CJBQSBZJDJHMLF,BQYQJAHWSA,N,Methyl 2-octenoate,CJBQSBZJDJHMLF-BQYQJAHWSA-N
HMDB32414,206.051383642,C10H10N2OS,CC1=C(SCC2=CC=CO2)N=CC=N1,"InChI=1S/C10H10N2OS/c1-8-10(12-5-4-11-8)14-7-9-3-2-6-13-9/h2-6H,7H2,1H3",PFRSWMCUERVSAT,UHFFFAOYSA,N,2-Methyl-3 or 5 or 6-(furfurylthio)pyrazine (mixture of isomers),PFRSWMCUERVSAT-UHFFFAOYSA-N
HMDB32415,162.10446507,C11H14O,CC(CCC1=CC=CC=C1)C=O,"InChI=1S/C11H14O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3",RLFLIPVJQTWXKR,UHFFFAOYSA,N,2-Methyl-4-phenylbutyraldehyde,RLFLIPVJQTWXKR-UHFFFAOYSA-N
HMDB32416,99.104799421,C6H13N,CC1CCCCN1,"InChI=1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3",NNWUEBIEOFQMSS,UHFFFAOYSA,N,2-Methylpiperidine,NNWUEBIEOFQMSS-UHFFFAOYSA-N
HMDB32417,244.203844762,C14H28O3,CC(C)C1CCC(C)CC1OCC(C)(O)CO,"InChI=1S/C14H28O3/c1-10(2)12-6-5-11(3)7-13(12)17-9-14(4,16)8-15/h10-13,15-16H,5-9H2,1-4H3",XCNCWOPROFTLGU,UHFFFAOYSA,N,"3-(L-Menthoxy)-2-methylpropane-1,2-diol",XCNCWOPROFTLGU-UHFFFAOYSA-N
HMDB32418,213.082349419,C10H15NO2S,CCCC(=O)OCCC1=C(C)N=CS1,"InChI=1S/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3",GDRZNYCKSKHESZ,UHFFFAOYSA,N,2-(4-Methyl-5-thiazolyl)ethyl butanoate,GDRZNYCKSKHESZ-UHFFFAOYSA-N
HMDB32419,297.176249803,C16H27NO2S,CCCCCCCCCC(=O)OCCC1=C(C)N=CS1,"InChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-9-10-16(18)19-12-11-15-14(2)17-13-20-15/h13H,3-12H2,1-2H3",RUOLKIITSCGKJQ,UHFFFAOYSA,N,2-(4-Methyl-5-thiazolyl)ethyl decanoate,RUOLKIITSCGKJQ-UHFFFAOYSA-N
HMDB32420,171.035399227,C7H9NO2S,CC1=C(CCOC=O)N=CS1,"InChI=1S/C7H9NO2S/c1-6-7(8-4-11-6)2-3-10-5-9/h4-5H,2-3H2,1H3",CPIWIFHDFQMGKR,UHFFFAOYSA,N,2-(4-Methyl-5-thiazolyl)ethyl formate,CPIWIFHDFQMGKR-UHFFFAOYSA-N
HMDB32421,241.113649547,C12H19NO2S,CCCCCC(=O)OCCC1=C(C)N=CS1,"InChI=1S/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3",VJULDCZELAIZHC,UHFFFAOYSA,N,2-(4-Methyl-5-thiazolyl)ethyl hexanoate,VJULDCZELAIZHC-UHFFFAOYSA-N
HMDB32422,213.082349419,C10H15NO2S,CC(C)C(=O)OCCC1=C(C)SC=N1,"InChI=1S/C10H15NO2S/c1-7(2)10(12)13-5-4-9-8(3)14-6-11-9/h6-7H,4-5H2,1-3H3",KMEDDQQKAPHCLF,UHFFFAOYSA,N,2-(4-Methyl-5-thiazolyl)ethyl isobutyrate,KMEDDQQKAPHCLF-UHFFFAOYSA-N
HMDB32423,269.144949675,C14H23NO2S,CCCCCCCC(=O)OCCC1=C(C)N=CS1,"InChI=1S/C14H23NO2S/c1-3-4-5-6-7-8-14(16)17-10-9-13-12(2)15-11-18-13/h11H,3-10H2,1-2H3",OGJATLSJIMPQBD,UHFFFAOYSA,N,2-(4-Methyl-5-thiazolyl)ethyl octanoate,OGJATLSJIMPQBD-UHFFFAOYSA-N
HMDB32424,199.066699355,C9H13NO2S,CCC(=O)OCCC1=C(C)N=CS1,"InChI=1S/C9H13NO2S/c1-3-9(11)12-5-4-8-7(2)10-6-13-8/h6H,3-5H2,1-2H3",KXYXTLJGFPUWOE,UHFFFAOYSA,N,2-(4-Methyl-5-thiazolyl)ethyl propionate,KXYXTLJGFPUWOE-UHFFFAOYSA-N
HMDB32425,92.029585568,C3H8OS,CSCCO,"InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3",WBBPRCNXBQTYLF,UHFFFAOYSA,N,2-(Methylthio)ethanol,WBBPRCNXBQTYLF-UHFFFAOYSA-N
HMDB32426,160.092185824,C8H16OS,CCCCC(CC=O)SC,"InChI=1S/C8H16OS/c1-3-4-5-8(10-2)6-7-9/h7-8H,3-6H2,1-2H3",RQOSXGWCILNIKB,UHFFFAOYSA,N,(+/-)-3-(Methylthio)heptanal,RQOSXGWCILNIKB-UHFFFAOYSA-N
HMDB32427,190.10275051,C9H18O2S,CCCC(CCOC(C)=O)SC,"InChI=1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3",VIQXICKUKPVFRK,UHFFFAOYSA,N,(S)-3-Methylthiohexyl acetate,VIQXICKUKPVFRK-UHFFFAOYSA-N
HMDB32428,93.991091572,C2H6S2,CSCS,"InChI=1S/C2H6S2/c1-4-2-3/h3H,2H2,1H3",IXBUFAUQDFHNGI,UHFFFAOYSA,N,Methylthiomethylmercaptan,IXBUFAUQDFHNGI-UHFFFAOYSA-N
HMDB32429,144.006741636,C6H8S2,CSCC1=CSC=C1,"InChI=1S/C6H8S2/c1-7-4-6-2-3-8-5-6/h2-3,5H,4H2,1H3",YWUFGNXATBTVEB,UHFFFAOYSA,N,3-(Methylthio)methylthiophene,YWUFGNXATBTVEB-UHFFFAOYSA-N
HMDB32430,132.060885696,C6H12OS,CSC(C)CC(C)=O,"InChI=1S/C6H12OS/c1-5(7)4-6(2)8-3/h6H,4H2,1-3H3",PNJBGQMNUMZADU,UHFFFAOYSA,N,4-(Methylthio)-2-pentanone,PNJBGQMNUMZADU-UHFFFAOYSA-N
HMDB32431,126.013935504,C6H6OS,CC1=CC=C(S1)C=O,"InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",VAUMDUIUEPIGHM,UHFFFAOYSA,N,5-Methyl-2-thiophenecarboxaldehyde,VAUMDUIUEPIGHM-UHFFFAOYSA-N
HMDB32432,212.214015518,C14H28O,CC(C)CCCCCCCCCCC=O,"InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3",OQWNKUAZQSLNSR,UHFFFAOYSA,N,12-Methyltridecanal,OQWNKUAZQSLNSR-UHFFFAOYSA-N
HMDB32434,168.115029756,C10H16O2,CC(C=O)C1CCC(C)(O1)C=C,"InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3",YPZQHCLBLRWNMJ,UHFFFAOYSA,N,(+/-)-2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propionaldehyde,YPZQHCLBLRWNMJ-UHFFFAOYSA-N
HMDB32436,1741.3592277,C100H188O22,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(C)=O.CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(C)=O.CCCCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O.CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O,"InChI=1S/C27H50O6.C25H46O6.C25H48O5.C23H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)32-23-26(33-25(3)29)22-31-24(2)28;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(28)30-22-24(27)21-29-23(2)26;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)28-20-22(25)19-27-21(2)24/h26H,4-23H2,1-3H3;24H,4-21H2,1-3H3;24,27H,3-22H2,1-2H3;22,25H,3-20H2,1-2H3",RBWQSBMSOGTQAQ,UHFFFAOYSA,N,Mono- and diglycerides,RBWQSBMSOGTQAQ-UHFFFAOYSA-N
HMDB32437,266.063782046,C9H14O9,OCC(O)COC(=O)CC(O)(CC(O)=O)C(O)=O,"InChI=1S/C9H14O9/c10-3-5(11)4-18-7(14)2-9(17,8(15)16)1-6(12)13/h5,10-11,17H,1-4H2,(H,12,13)(H,15,16)",VQENOYXMFIFHCY,UHFFFAOYSA,N,Monoglyceride citrate,VQENOYXMFIFHCY-UHFFFAOYSA-N
HMDB32438,234.073952802,C9H14O7,CC(C)OC(=O)CC(O)(CC(O)=O)C(O)=O,"InChI=1S/C9H14O7/c1-5(2)16-7(12)4-9(15,8(13)14)3-6(10)11/h5,15H,3-4H2,1-2H3,(H,10,11)(H,13,14)",SKHXHUZZFVMERR,UHFFFAOYSA,N,1-Isopropyl citrate,SKHXHUZZFVMERR-UHFFFAOYSA-N
HMDB32439,33.021463723,H3NO,[NH3+][O-],InChI=1S/H3NO/c1-2/h1H3,GSWAOPJLTADLTN,UHFFFAOYSA,N,Nitrogen oxides,GSWAOPJLTADLTN-UHFFFAOYSA-N
HMDB32440,200.177630012,C12H24O2,CCCCCCCCC1OCC(C)O1,"InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12/h11-12H,3-10H2,1-2H3",AGNUIQKIUPCFET,UHFFFAOYSA,N,Nonanal propyleneglycol acetal,AGNUIQKIUPCFET-UHFFFAOYSA-N
HMDB32441,136.088815006,C9H12O,CC\C=C/C=C\C=C/C=O,"InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-9H,2H2,1H3/b4-3-,6-5-,8-7-",XHDSWFFUGPJMMN,QMGPHSPGSA,N,"Nona-2,4,6-trienal",XHDSWFFUGPJMMN-QMGPHSPGSA-N
HMDB32442,154.099379692,C9H14O2,CCCCCC1OC(=O)C=C1,"InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6-8H,2-5H2,1H3",MXZSZHJBUODOJK,UHFFFAOYSA,N,2-Nonenoic acid gamma-lactone,MXZSZHJBUODOJK-UHFFFAOYSA-N
HMDB32443,202.15689457,C11H22O3,CCCCCCC(O)CCOC(C)=O,"InChI=1S/C11H22O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h11,13H,3-9H2,1-2H3",RTYFAKSWXDNPPU,UHFFFAOYSA,N,3-Hydroxynonyl acetate,RTYFAKSWXDNPPU-UHFFFAOYSA-N
HMDB32446,124.088815006,C8H12O,CC\C=C\C=C\C(C)=O,"InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+",LWRKMRFJEUFXIB,YTXTXJHMSA,N,"trans, trans-3,5-Octadien-2-one",LWRKMRFJEUFXIB-YTXTXJHMSA-N
HMDB32447,124.088815006,C8H12O,CC\C=C\CC(=O)C=C,"InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5+",VWYBQOFZVSNDAW,AATRIKPKSA,N,"1,5-Octadien-3-one",VWYBQOFZVSNDAW-AATRIKPKSA-N
HMDB32448,186.161979948,C11H22O2,CCCCCCCC1OCC(C)O1,"InChI=1S/C11H22O2/c1-3-4-5-6-7-8-11-12-9-10(2)13-11/h10-11H,3-9H2,1-2H3",PTJICCHLTNPHDB,UHFFFAOYSA,N,Octanal propyleneglycol acetal,PTJICCHLTNPHDB-UHFFFAOYSA-N
HMDB32449,112.125200512,C8H16,CCCCCCC=C,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3",KWKAKUADMBZCLK,UHFFFAOYSA,N,1-Octene,KWKAKUADMBZCLK-UHFFFAOYSA-N
HMDB32450,128.120115134,C8H16O,CCCC\C=C\C(C)O,"InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3/b7-6+",YJJIVDCKSZMHGZ,VOTSOKGWSA,N,trans-3-Octen-2-ol,YJJIVDCKSZMHGZ-VOTSOKGWSA-N
HMDB32451,126.10446507,C8H14O,CCC\C=C\C(=O)CC,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3/b7-6+",JPTOCTSNXXKSSN,VOTSOKGWSA,N,4-Octen-3-one,JPTOCTSNXXKSSN-VOTSOKGWSA-N
HMDB32452,170.13067982,C10H18O2,CCCCCC(OC(C)=O)C=C,"InChI=1S/C10H18O2/c1-4-6-7-8-10(5-2)12-9(3)11/h5,10H,2,4,6-8H2,1,3H3",DOJDQRFOTHOBEK,UHFFFAOYSA,N,1-Octen-3-yl acetate,DOJDQRFOTHOBEK-UHFFFAOYSA-N
HMDB32453,184.146329884,C11H20O2,CCCC\C=C/CCOC(=O)CC,"InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-",NTQOADMSKSBQCI,FPLPWBNLSA,N,cis-3-Octenyl propionate,NTQOADMSKSBQCI-FPLPWBNLSA-N
HMDB32454,158.13067982,C9H18O2,CCCCCC(CC)OC=O,"InChI=1S/C9H18O2/c1-3-5-6-7-9(4-2)11-8-10/h8-9H,3-7H2,1-2H3",PPJCPDSDDKESKL,UHFFFAOYSA,N,3-Octyl formate,PPJCPDSDDKESKL-UHFFFAOYSA-N
HMDB32455,132.089877638,C5H12N2O2,NCCCC(N)C(O)=O,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)",AHLPHDHHMVZTML,UHFFFAOYSA,N,L-Ornithine monochlorohydrate/ornithine,AHLPHDHHMVZTML-UHFFFAOYSA-N
HMDB32456,132.07864425,C6H12O3,CC1OC(C)OC(C)O1,"InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3",SQYNKIJPMDEDEG,UHFFFAOYSA,N,Paraldehyde,SQYNKIJPMDEDEG-UHFFFAOYSA-N
HMDB32457,104.065971074,C5H12S,CCCCCS,"InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3",ZRKMQKLGEQPLNS,UHFFFAOYSA,N,1-Pentanethiol,ZRKMQKLGEQPLNS-UHFFFAOYSA-N
HMDB32458,84.057514878,C5H8O,C=CCCC=O,"InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",QUMSUJWRUHPEEJ,UHFFFAOYSA,N,4-Pentenal,QUMSUJWRUHPEEJ-UHFFFAOYSA-N
HMDB32459,100.0524295,C5H8O2,CC\C=C\C(O)=O,"InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+",YIYBQIKDCADOSF,ONEGZZNKSA,N,2-Pentenoic acid,YIYBQIKDCADOSF-ONEGZZNKSA-N
HMDB32460,128.083729628,C7H12O2,CC(=O)OCCCC=C,"InChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h3H,1,4-6H2,2H3",LVHDNIMNOMRZMF,UHFFFAOYSA,N,4-Pentenyl acetate,LVHDNIMNOMRZMF-UHFFFAOYSA-N
HMDB32461,184.146329884,C11H20O2,CCCCCC(=O)OC\C=C/CC,"InChI=1S/C11H20O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h6,8H,3-5,7,9-10H2,1-2H3/b8-6-",ZZFNQLFGNVPSOG,VURMDHGXSA,N,Pent-2-enyl hexanoate,ZZFNQLFGNVPSOG-VURMDHGXSA-N
HMDB32462,166.099379692,C10H14O2,CCCCCC(=O)C1=CC=CO1,"InChI=1S/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3",YUAYWSBSIJVIBS,UHFFFAOYSA,N,Pentyl 2-furyl ketone,YUAYWSBSIJVIBS-UHFFFAOYSA-N
HMDB32463,182.13067982,C11H18O2,CCCC\C=C1\OC(=O)C(C)C1C,"InChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7-9H,4-6H2,1-3H3/b10-7+",GKHOOSNEXYJMQR,JXMROGBWSA,N,5-Pentyl-3h-furan-2-one,GKHOOSNEXYJMQR-JXMROGBWSA-N
HMDB32464,276.20893014,C18H28O2,CCCCCCCCCC(=O)OCCC1=CC=CC=C1,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3",DDMQLUJPAGWJOB,UHFFFAOYSA,N,Phenethyl decanoate,DDMQLUJPAGWJOB-UHFFFAOYSA-N
HMDB32465,189.195345761,C8H23N5,NCCNCCNCCNCCN,"InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2",FAGUFWYHJQFNRV,UHFFFAOYSA,N,"Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated",FAGUFWYHJQFNRV-UHFFFAOYSA-N
HMDB32466,270.205576096,C13H26N4O2,C=O.OC1=CC=CC=C1.NCCNCCNCCN,"InChI=1S/C6H18N4.C6H6O.CH2O/c7-1-3-9-5-6-10-4-2-8;7-6-4-2-1-3-5-6;1-2/h9-10H,1-8H2;1-5,7H;1H2",NBZZTGGDZKVWPZ,UHFFFAOYSA,N,"Phenol-formaldehyde, cross-linked, triethylenetetramine activated",NBZZTGGDZKVWPZ-UHFFFAOYSA-N
HMDB32467,138.05032101,C8H10S,CC(S)C1=CC=CC=C1,"InChI=1S/C8H10S/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3",QZZBJCFNHPYNKO,UHFFFAOYSA,N,(+/-)-1-Phenylethylmercaptan,QZZBJCFNHPYNKO-UHFFFAOYSA-N
HMDB32468,180.115029756,C11H16O2,COC(OC)C(C)C1=CC=CC=C1,"InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3",UFOUDYPOSJJEDJ,UHFFFAOYSA,N,2-Phenylpropionaldehyde dimethyl acetal,UFOUDYPOSJJEDJ-UHFFFAOYSA-N
HMDB32469,134.036779436,C8H6O2,O=C1OCC2=CC=CC=C12,"InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2",WNZQDUSMALZDQF,UHFFFAOYSA,N,Phthalide,WNZQDUSMALZDQF-UHFFFAOYSA-N
HMDB32470,338.318480588,C22H42O2,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\COC(C)=O,"InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+",JIGCTXHIECXYRJ,LTGZKZEYSA,N,Phytyl acetate,JIGCTXHIECXYRJ-LTGZKZEYSA-N
HMDB32472,244.13107375,C12H20O5,CC(C(O)CCCCC=O)C(=O)CCC(O)=O,"InChI=1S/C12H20O5/c1-9(11(15)6-7-12(16)17)10(14)5-3-2-4-8-13/h8-10,14H,2-7H2,1H3,(H,16,17)",AZUZXOSWBOBCJY,UHFFFAOYSA,N,"Polyethylene, oxidized",AZUZXOSWBOBCJY-UHFFFAOYSA-N
HMDB32473,136.125200515,C10H16,CC(=C)C1CCC(C)=CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",XMGQYMWWDOXHJM,UHFFFAOYSA,N,Polylimonene,XMGQYMWWDOXHJM-UHFFFAOYSA-N
HMDB32475,590.527410728,C38H70O4,CCCCCCCC\C=C/CCCCCCCC(=O)OCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17-,20-18-",NKSOSPOXQKNIKJ,CLFAGFIQSA,N,Polyoxyethylene dioleate,NKSOSPOXQKNIKJ-CLFAGFIQSA-N
HMDB32476,340.297745146,C21H40O3,CCCCCCC(O)C\C=C\CCCCCCCC(=O)OCCC,"InChI=1S/C21H40O3/c1-3-5-6-13-16-20(22)17-14-11-9-7-8-10-12-15-18-21(23)24-19-4-2/h11,14,20,22H,3-10,12-13,15-19H2,1-2H3/b14-11+",SFPNSCZLRJDTGT,SDNWHVSQSA,N,Polyoxyethylene (600) monoricinoleate,SFPNSCZLRJDTGT-SDNWHVSQSA-N
HMDB32477,328.297745146,C20H40O3,CCCCCCCCCCCCCCCCCC(=O)OCCO,"InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3",RFVNOJDQRGSOEL,UHFFFAOYSA,N,Polyoxyethylene 40 monostearate,RFVNOJDQRGSOEL-UHFFFAOYSA-N
HMDB32478,134.094294314,C6H14O3,CC(O)COC(C)CO,"InChI=1S/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3",DUFKCOQISQKSAV,UHFFFAOYSA,N,"Polypropylene glycol (m w 1,200-3,000)",DUFKCOQISQKSAV-UHFFFAOYSA-N
HMDB32488,190.099379692,C12H14O2,CC(C)=CCOC(=O)C1=CC=CC=C1,"InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3",INVWRXWYYVMFQC,UHFFFAOYSA,N,Prenyl benzoate,INVWRXWYYVMFQC-UHFFFAOYSA-N
HMDB32489,184.146329884,C11H20O2,CCCCCC(=O)OCC=C(C)C,"InChI=1S/C11H20O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h8H,4-7,9H2,1-3H3",MUVXQQVJNUBWPF,UHFFFAOYSA,N,Prenyl caproate,MUVXQQVJNUBWPF-UHFFFAOYSA-N
HMDB32490,114.068079564,C6H10O2,CC(C)=CCOC=O,"InChI=1S/C6H10O2/c1-6(2)3-4-8-5-7/h3,5H,4H2,1-2H3",ZCROFVOAWLRGFY,UHFFFAOYSA,N,Prenyl formate,ZCROFVOAWLRGFY-UHFFFAOYSA-N
HMDB32491,156.115029756,C9H16O2,CC(C)C(=O)OCC=C(C)C,"InChI=1S/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h5,8H,6H2,1-4H3",YSJHMPXIMIOXGU,UHFFFAOYSA,N,Prenyl isobutyrate,YSJHMPXIMIOXGU-UHFFFAOYSA-N
HMDB32492,123.068413915,C7H9NO,CCC(=O)C1=CC=CN1,"InChI=1S/C7H9NO/c1-2-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3",AEJPPSRYXGEVDT,UHFFFAOYSA,N,2-Propionylpyrrole,AEJPPSRYXGEVDT-UHFFFAOYSA-N
HMDB32493,143.040484605,C6H9NOS,CCC(=O)C1=NCCS1,"InChI=1S/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h2-4H2,1H3",MFQABLFJUQNPAC,UHFFFAOYSA,N,2-Propionyl-2-thiazoline,MFQABLFJUQNPAC-UHFFFAOYSA-N
HMDB32494,510.464810472,C32H62O4,CCCCCCCCCCCCCCC(=O)OC(C)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C32H62O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32(34)36-30(3)29-35-31(33)27-25-23-21-19-17-15-13-11-9-7-5-2/h30H,4-29H2,1-3H3",CCXUFFTYEJRDBY,UHFFFAOYSA,N,Propylene glycol mono- and diesters of fats and fatty acids,CCXUFFTYEJRDBY-UHFFFAOYSA-N
HMDB32495,148.055800318,C6H12O2S,CCCOC(=O)C(C)S,"InChI=1S/C6H12O2S/c1-3-4-8-6(7)5(2)9/h5,9H,3-4H2,1-2H3",SZNSBSIVODFXBS,UHFFFAOYSA,N,Propyl 2-mercaptopropionate,SZNSBSIVODFXBS-UHFFFAOYSA-N
HMDB32496,228.099773622,C11H16O5,COC(=O)C(C1CCCC(=O)C1)C(=O)OC,"InChI=1S/C11H16O5/c1-15-10(13)9(11(14)16-2)7-4-3-5-8(12)6-7/h7,9H,3-6H2,1-2H3",XRRVFMYYAGGSJO,UHFFFAOYSA,N,Propyl propane thiosulfonate,XRRVFMYYAGGSJO-UHFFFAOYSA-N
HMDB32497,121.089149357,C8H11N,CCCC1=CC=CC=N1,"InChI=1S/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3",OIALIKXMLIAOSN,UHFFFAOYSA,N,2-Propylpyridine,OIALIKXMLIAOSN-UHFFFAOYSA-N
HMDB32498,192.151415262,C13H20O,CC(C)=CCC\C(C)=C\C=C\C(C)=O,"InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+",JXJIQCXXJGRKRJ,KOOBJXAQSA,N,Pseudoionone,JXJIQCXXJGRKRJ-KOOBJXAQSA-N
HMDB32499,189.064590865,C8H15NS2,CC1SC2CCCN2C(C)S1,"InChI=1S/C8H15NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h6-8H,3-5H2,1-2H3",OJEOXDLLIADRBL,UHFFFAOYSA,N,"Pyrrolidino-[1,2E]-4H-2,4-dimethyl-1,3,5-dithiazine",OJEOXDLLIADRBL-UHFFFAOYSA-N
HMDB32501,262.193280076,C17H26O2,CC(=O)OCC(C)=CCCC1(C)C2CCC(C2)C1=C,"InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3",RCFGRZLLBGMERD,UHFFFAOYSA,N,Santalyl acetate,RCFGRZLLBGMERD-UHFFFAOYSA-N
HMDB32502,338.224580204,C23H30O2,C\C(COC(=O)CC1=CC=CC=C1)=C\CCC1(C)C2CCC(C2)C1=C,"InChI=1S/C23H30O2/c1-17(16-25-22(24)14-19-9-5-4-6-10-19)8-7-13-23(3)18(2)20-11-12-21(23)15-20/h4-6,8-10,20-21H,2,7,11-16H2,1,3H3/b17-8-",FIZFZQIBGCHOJY,IUXPMGMMSA,N,Santalyl phenylacetate,FIZFZQIBGCHOJY-IUXPMGMMSA-N
HMDB32503,438.10718396,C23H22N2O3S2,COC1=CC=C(C=C1)C(=O)CSC1=NC(SCC(=O)C2=CC=C(C)C=C2)=NC(C)=C1,"InChI=1S/C23H22N2O3S2/c1-15-4-6-17(7-5-15)21(27)14-30-23-24-16(2)12-22(25-23)29-13-20(26)18-8-10-19(28-3)11-9-18/h4-12H,13-14H2,1-3H3",UCVZLNNJKDOOBO,UHFFFAOYSA,N,Silica aerogel,UCVZLNNJKDOOBO-UHFFFAOYSA-N
HMDB32521,444.308703762,C24H44O7,CCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(O)=O)C(O)=O,"InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-22(27)20-24(30,23(28)29)19-21(25)26/h30H,2-20H2,1H3,(H,25,26)(H,28,29)",REVZBRXEBPWDRA,UHFFFAOYSA,N,Stearyl citrate,REVZBRXEBPWDRA-UHFFFAOYSA-N
HMDB32522,582.361527192,C28H54O12,OCC(O)CO.OC(=O)CC(O)(CC(O)=O)CC(O)=O.CCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C18H36O2.C7H10O7.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4(9)1-7(14,2-5(10)11)3-6(12)13;4-1-3(6)2-5/h2-17H2,1H3,(H,19,20);14H,1-3H2,(H,8,9)(H,10,11)(H,12,13);3-6H,1-2H2",HFJHNGKIVAKCIW,UHFFFAOYSA,N,Stearyl monoglyceridyl citrate,HFJHNGKIVAKCIW-UHFFFAOYSA-N
HMDB32523,100.016043994,C4H4O3,O=C1CCC(=O)O1,InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2,RINCXYDBBGOEEQ,UHFFFAOYSA,N,Succinic anhydride,RINCXYDBBGOEEQ-UHFFFAOYSA-N
HMDB32524,224.177630012,C14H24O2,CC(C)C(=O)OC(C)(C)C1CCC(C)=CC1,"InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3",SMQUXKIIXFOJKI,UHFFFAOYSA,N,Terpinyl isobutyrate,SMQUXKIIXFOJKI-UHFFFAOYSA-N
HMDB32525,210.198365454,C14H26O,CCCCCCCCCCC\C=C\C=O,"InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h12-14H,2-11H2,1H3/b13-12+",WHOZNOZYMBRCBL,OUKQBFOZSA,N,Tetradec-2-enal,WHOZNOZYMBRCBL-OUKQBFOZSA-N
HMDB32526,210.198365454,C14H26O,CCCC\C=C\CCCCCCCC=O,"InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,14H,2-4,7-13H2,1H3/b6-5+",ANJAOCICJSRZSR,AATRIKPKSA,N,(Z)-8-Tetradecenal,ANJAOCICJSRZSR-AATRIKPKSA-N
HMDB32527,258.110338308,C12H18O6,CC(=O)C1(C)CC2(O)OC(C)(OC2(C)O1)C(C)=O,"InChI=1S/C12H18O6/c1-7(13)9(3)6-12(15)11(5,16-9)17-10(4,18-12)8(2)14/h15H,6H2,1-5H3",TXTNKDRGVWKECN,UHFFFAOYSA,N,"1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone",TXTNKDRGVWKECN-UHFFFAOYSA-N
HMDB32528,206.167065326,C14H22O,CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1,"InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3",ISAVYTVYFVQUDY,UHFFFAOYSA,N,"alpha-(p-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene)",ISAVYTVYFVQUDY-UHFFFAOYSA-N
HMDB32529,379.192962499,C19H29N3O3S,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)C1CCCCCC1,"InChI=1S/C19H29N3O3S/c1-16(23)20-17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)18-6-4-2-3-5-7-18/h8-11,18H,2-7,12-15H2,1H3,(H,20,23)",IVPOQXWRUMMORK,UHFFFAOYSA,N,"Thaumatin b, recombinant",IVPOQXWRUMMORK-UHFFFAOYSA-N
HMDB32530,154.135765198,C10H18O,CC(C)C12CC1C(C)C(O)C2,"InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3",DZVXRFMREAADPP,UHFFFAOYSA,N,Thujyl alcohol,DZVXRFMREAADPP-UHFFFAOYSA-N
HMDB32531,180.151415262,C12H20O,CCCCC\C=C/CC\C=C\C=O,"InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-,11-10+",VPEGROOEBNSCCL,JFEAUALZSA,N,2-trans-6-cis-Dodecadienal,VPEGROOEBNSCCL-JFEAUALZSA-N
HMDB32532,156.151415262,C10H20O,CCCCCCC\C=C\CO,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,2-7,10H2,1H3/b9-8+",QOPYYRPCXHTOQZ,CMDGGOBGSA,N,2-DECENOL,QOPYYRPCXHTOQZ-CMDGGOBGSA-N
HMDB32533,142.099379692,C8H14O2,CC\C=C\CCOC(C)=O,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+",NPFVOOAXDOBMCE,SNAWJCMRSA,N,trans-3-Hexenyl acetate,NPFVOOAXDOBMCE-SNAWJCMRSA-N
HMDB32534,184.146329884,C11H20O2,CCC\C=C\COC(=O)C(C)CC,"InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+",SXJKRFLZGRFPBD,BQYQJAHWSA,N,trans-2-Hexenyl 2-methylbutyrate,SXJKRFLZGRFPBD-BQYQJAHWSA-N
HMDB32535,140.120115134,C9H16O,CCCC\C=C\CCC=O,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-6,9H,2-4,7-8H2,1H3/b6-5+",QPULDJYQYDGZEI,AATRIKPKSA,N,trans-4-Nonenal,QPULDJYQYDGZEI-AATRIKPKSA-N
HMDB32536,152.120115134,C10H16O,CC\C=C\CC1CCCC1=O,"InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h3-4,9H,2,5-8H2,1H3/b4-3+",ZIJOSCABGITYIL,ONEGZZNKSA,N,2-(trans-2-Pentenyl)cyclopentanone,ZIJOSCABGITYIL-ONEGZZNKSA-N
HMDB32537,166.172150704,C12H22,CCCC\C=C\C=C\CCCC,"InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9+,12-10+",ZARLDNIZTZBEDV,WGDLNXRISA,N,trans-2-trans-4-Nonadiene,ZARLDNIZTZBEDV-WGDLNXRISA-N
HMDB32538,149.105193351,C6H15NO3,OCCN(CCO)CCO,"InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2",GSEJCLTVZPLZKY,UHFFFAOYSA,N,Triethanolamine,GSEJCLTVZPLZKY-UHFFFAOYSA-N
HMDB32539,101.120449485,C6H15N,CCN(CC)CC,"InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3",ZMANZCXQSJIPKH,UHFFFAOYSA,N,Triethylamine,ZMANZCXQSJIPKH-UHFFFAOYSA-N
HMDB32540,166.135765198,C11H18O,CC1=C(CC=O)C(C)(C)CCC1,"InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3",VHTFHZGAMYUZEP,UHFFFAOYSA,N,"2,6,6-Trimethyl-1-cyclohexen-1-acetaldehyde",VHTFHZGAMYUZEP-UHFFFAOYSA-N
HMDB32541,192.151415262,C13H20O,C\C=C\C(=O)C1=C(C)CCCC1(C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+",BGTBFNDXYDYBEY,FNORWQNLSA,N,"4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one",BGTBFNDXYDYBEY-FNORWQNLSA-N
HMDB32542,182.167065326,C12H22O,CC(C)=CCC\C(C)=C\C(C)(C)O,"InChI=1S/C12H22O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,9,13H,6,8H2,1-5H3/b11-9+",BPIALUCKEZWHIF,PKNBQFBNSA,N,"trans- and cis-2,4,8-Trimethyl-3,7-nona-dien-2-ol",BPIALUCKEZWHIF-PKNBQFBNSA-N
HMDB32543,184.18271539,C12H24O,CC(CCC=C(C)C)CC(C)(C)O,"InChI=1S/C12H24O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,11,13H,6,8-9H2,1-5H3",QRDZETOZNQTTCN,UHFFFAOYSA,N,"(+/-)-2,4,8-Trimethyl-7-nonen-2-ol",QRDZETOZNQTTCN-UHFFFAOYSA-N
HMDB32544,136.088815006,C9H12O,CC1=CC(C)=C(O)C(C)=C1,"InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3",BPRYUXCVCCNUFE,UHFFFAOYSA,N,"2,4,6-Trimethylphenol",BPRYUXCVCCNUFE-UHFFFAOYSA-N
HMDB32545,143.167399677,C9H21N,CCCN(CCC)CCC,"InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3",YFTHZRPMJXBUME,UHFFFAOYSA,N,Tripropylamine,YFTHZRPMJXBUME-UHFFFAOYSA-N
HMDB32547,153.99446239,C4H10S3,CSCSCSC,"InChI=1S/C4H10S3/c1-5-3-7-4-6-2/h3-4H2,1-2H3",PQFOEUXAUYRCAY,UHFFFAOYSA,N,"2,4,6-Trithiaheptane",PQFOEUXAUYRCAY-UHFFFAOYSA-N
HMDB32548,228.20893014,C14H28O2,CCCCCCCCCCC1OCC(C)O1,"InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-14-15-12-13(2)16-14/h13-14H,3-12H2,1-2H3",ZOJCTKZSRSUPTO,UHFFFAOYSA,N,Undecanal propyleneglycol acetal,ZOJCTKZSRSUPTO-UHFFFAOYSA-N
HMDB32549,312.175915452,C17H28O3S,CCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C17H28O3S/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)21(18,19)20/h12-15H,2-11H2,1H3,(H,18,19,20)",UCDCOJNNUVYFKJ,UHFFFAOYSA,N,N-Undecylbenzenesulfonic acid,UCDCOJNNUVYFKJ-UHFFFAOYSA-N
HMDB32550,216.20893014,C13H28O2,CCCCOC(CCCC)OCCCC,"InChI=1S/C13H28O2/c1-4-7-10-13(14-11-8-5-2)15-12-9-6-3/h13H,4-12H2,1-3H3",LDJYPEMHNQONGS,UHFFFAOYSA,N,Valeraldehyde dibutyl acetal,LDJYPEMHNQONGS-UHFFFAOYSA-N
HMDB32551,144.115029756,C8H16O2,CCCCC1OCC(C)O1,"InChI=1S/C8H16O2/c1-3-4-5-8-9-6-7(2)10-8/h7-8H,3-6H2,1-2H3",WTZJUXYVLRJTMQ,UHFFFAOYSA,N,Valeraldehyde propyleneglycol acetal,WTZJUXYVLRJTMQ-UHFFFAOYSA-N
HMDB32552,224.104859,C12H16O4,COC1=C(O)C=CC(=C1)C1OC(C)C(C)O1,"InChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3",JZJHVHUFPUYAJF,UHFFFAOYSA,N,"Vanillin 1,2-butylene glycol acetal",JZJHVHUFPUYAJF-UHFFFAOYSA-N
HMDB32553,364.224974134,C21H32O5,COC1=C(O)C=CC(=C1)C1OCC(COC2CC(C)CCC2C(C)C)O1,"InChI=1S/C21H32O5/c1-13(2)17-7-5-14(3)9-19(17)24-11-16-12-25-21(26-16)15-6-8-18(22)20(10-15)23-4/h6,8,10,13-14,16-17,19,21-22H,5,7,9,11-12H2,1-4H3",ZOGKSXQLOOQXFG,UHFFFAOYSA,N,"Vanillin 3-(L-menthoxy)propane-1,2-diol acetal",ZOGKSXQLOOQXFG-UHFFFAOYSA-N
HMDB32554,157.945683281,C4H5Cl3,ClC=C.ClC(Cl)=C,"InChI=1S/C2H2Cl2.C2H3Cl/c1-2(3)4;1-2-3/h1H2;2H,1H2",DHZSIQDUYCWNSB,UHFFFAOYSA,N,Vinyl chloride-vinylidene chloride copolymer,DHZSIQDUYCWNSB-UHFFFAOYSA-N
HMDB32558,225.038570349,C8H7N3O5,CC1=C(C=C(C=C1N(=O)=O)N(=O)=O)C(N)=O,"InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)",ZEFNOZRLAWVAQF,UHFFFAOYSA,N,Dinitolmide,ZEFNOZRLAWVAQF-UHFFFAOYSA-N
HMDB32559,240.074621504,C10H12N2O5,CCC(C)C1=C(O)C(=CC(=C1)N(=O)=O)N(=O)=O,"InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3",OWZPCEFYPSAJFR,UHFFFAOYSA,N,"(±)-2-(1-Methylpropyl)-4,6-dinitrophenol",OWZPCEFYPSAJFR-UHFFFAOYSA-N
HMDB32560,282.08518619,C12H14N2O6,CCC(C)C1=C(OC(C)=O)C(=CC(=C1)N(=O)=O)N(=O)=O,"InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3",RDJTWDKSYLLHRW,UHFFFAOYSA,N,Dinoseb acetate,RDJTWDKSYLLHRW-UHFFFAOYSA-N
HMDB32561,210.10446507,C15H14O,O=C(CC1=CC=CC=C1)CC1=CC=CC=C1,"InChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2",YFKBXYGUSOXJGS,UHFFFAOYSA,N,"1,3-Diphenyl-2-propanone",YFKBXYGUSOXJGS-UHFFFAOYSA-N
HMDB32562,169.089149357,C12H11N,N(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H",DMBHHRLKUKUOEG,UHFFFAOYSA,N,Diphenylamine,DMBHHRLKUKUOEG-UHFFFAOYSA-N
HMDB32563,208.125200512,C16H16,C=C(CCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11H,1,12-13H2",PWSZACWUDDFZMQ,UHFFFAOYSA,N,"2,4-Diphenyl-1-butene",PWSZACWUDDFZMQ-UHFFFAOYSA-N
HMDB32564,196.125200512,C15H16,C(CC1=CC=CC=C1)CC1=CC=CC=C1,"InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2",VEAFKIYNHVBNIP,UHFFFAOYSA,N,"1,3-Diphenylpropane",VEAFKIYNHVBNIP-UHFFFAOYSA-N
HMDB32565,180.089877638,C9H12N2O2,CCOC1=CC=C(NC(N)=O)C=C1,"InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)",GGLIEWRLXDLBBF,UHFFFAOYSA,N,(4-Ethoxyphenyl)urea,GGLIEWRLXDLBBF-UHFFFAOYSA-N
HMDB32566,281.813116242,C6Cl6,ClC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9,CKAPSXZOOQJIBF,UHFFFAOYSA,N,Hexachlorobenzene,CKAPSXZOOQJIBF-UHFFFAOYSA-N
HMDB32567,194.13067982,C12H18O2,CCCCCCC1=C(O)C=C(O)C=C1,"InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3",WFJIVOKAWHGMBH,UHFFFAOYSA,N,Hexylresorcinol,WFJIVOKAWHGMBH-UHFFFAOYSA-N
HMDB32568,136.0524295,C8H8O2,CC(=O)C1=CC=CC=C1O,"InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3",JECYUBVRTQDVAT,UHFFFAOYSA,N,2'-Hydroxyacetophenone,JECYUBVRTQDVAT-UHFFFAOYSA-N
HMDB32569,150.068079564,C9H10O2,COC1=CC=CC=C1C(C)=O,"InChI=1S/C9H10O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3",DWPLEOPKBWNPQV,UHFFFAOYSA,N,2'-Methoxyacetophenone,DWPLEOPKBWNPQV-UHFFFAOYSA-N
HMDB32570,150.068079564,C9H10O2,COC1=CC=C(C=C1)C(C)=O,"InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3",NTPLXRHDUXRPNE,UHFFFAOYSA,N,4'-Methoxyacetophenone,NTPLXRHDUXRPNE-UHFFFAOYSA-N
HMDB32571,140.029585568,C7H8OS,COC1=CC=CC=C1S,"InChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3",DSCJETUEDFKYGN,UHFFFAOYSA,N,2-Methoxybenzenethiol,DSCJETUEDFKYGN-UHFFFAOYSA-N
HMDB32572,152.047344122,C8H8O3,COC(=O)C1=CC=C(O)C=C1,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",LXCFILQKKLGQFO,UHFFFAOYSA,N,Methylparaben,LXCFILQKKLGQFO-UHFFFAOYSA-N
HMDB32573,166.062994186,C9H10O3,CCOC(=O)C1=CC=C(O)C=C1,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",NUVBSKCKDOMJSU,UHFFFAOYSA,N,Ethylparaben,NUVBSKCKDOMJSU-UHFFFAOYSA-N
HMDB32574,180.07864425,C10H12O3,CCCOC(=O)C1=CC=C(O)C=C1,"InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3",QELSKZZBTMNZEB,UHFFFAOYSA,N,Propylparaben,QELSKZZBTMNZEB-UHFFFAOYSA-N
HMDB32575,194.094294314,C11H14O3,CCCCOC(=O)C1=CC=C(O)C=C1,"InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3",QFOHBWFCKVYLES,UHFFFAOYSA,N,Butylparaben,QFOHBWFCKVYLES-UHFFFAOYSA-N
HMDB32576,138.031694058,C7H6O3,COC1=CC(=O)C=CC1=O,"InChI=1S/C7H6O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3",ZJKWJHONFFKJHG,UHFFFAOYSA,N,"2-Methoxy-1,4-benzoquinone",ZJKWJHONFFKJHG-UHFFFAOYSA-N
HMDB32577,256.073558872,C15H12O4,COC1=CC=C(C=C1)C(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C15H12O4/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)",UIUCGMLLTRXRBF,UHFFFAOYSA,N,4'-Methoxybenzophenone-2-carboxylic acid,UIUCGMLLTRXRBF-UHFFFAOYSA-N
HMDB32578,123.068413915,C7H9NO,NCC1=CC=C(O)C=C1,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",RQJDUEKERVZLLU,UHFFFAOYSA,N,4-Hydroxybenzylamine,RQJDUEKERVZLLU-UHFFFAOYSA-N
HMDB32579,178.135765198,C12H18O,CC(C)C1=CC(O)=C(C=C1)C(C)C,"InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3",VFNUNYPYULIJSN,UHFFFAOYSA,N,"2,5-Diisopropylphenol",VFNUNYPYULIJSN-UHFFFAOYSA-N
HMDB32580,165.024834541,C8H7NOS,OC1=CC=C(CN=C=S)C=C1,"InChI=1S/C8H7NOS/c10-8-3-1-7(2-4-8)5-9-6-11/h1-4,10H,5H2",ATKWJXUJUNLTFU,UHFFFAOYSA,N,4-Hydroxybenzyl isothiocyanate,ATKWJXUJUNLTFU-UHFFFAOYSA-N
HMDB32581,179.040484605,C9H9NOS,COC1=CC=C(CN=C=S)C=C1,"InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3",IMFQYAJJXFXVMM,UHFFFAOYSA,N,1-(Isothiocyanatomethyl)-4-methoxybenzene,IMFQYAJJXFXVMM-UHFFFAOYSA-N
HMDB32582,170.073164942,C12H10O,OC1=CC=CC=C1C1=CC=CC=C1,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",LLEMOWNGBBNAJR,UHFFFAOYSA,N,2-Biphenylol,LLEMOWNGBBNAJR-UHFFFAOYSA-N
HMDB32583,214.062994186,C13H10O3,OC(=O)C1=CC=CC=C1C1=CC=C(O)C=C1,"InChI=1S/C13H10O3/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8,14H,(H,15,16)",WJRHSYCQNCDYMN,UHFFFAOYSA,N,4'-Hydroxy-2-biphenylcarboxylic acid,WJRHSYCQNCDYMN-UHFFFAOYSA-N
HMDB32584,224.083729628,C15H12O2,OC1=CC=C(\C=C/C(=O)C2=CC=CC=C2)C=C1,"InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8-",PWWCDTYUYPOAIU,FLIBITNWSA,N,4-Hydroxychalcone,PWWCDTYUYPOAIU-FLIBITNWSA-N
HMDB32585,238.099379692,C16H14O2,COC1=CC=C(C=C1)C(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+",KJHHAPASNNVTSN,KPKJPENVSA,N,4'-Methoxychalcone,KJHHAPASNNVTSN-KPKJPENVSA-N
HMDB32586,164.083729628,C10H12O2,COC1=CC=C(\C=C\CO)C=C1,"InChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+",NYICIIFSBJOBKE,NSCUHMNNSA,N,3-(4-Methoxyphenyl)-2-propen-1-ol,NYICIIFSBJOBKE-NSCUHMNNSA-N
HMDB32587,394.199153314,C21H30O7,CC1=CC2=C(C(=O)C(C)(C)C2)C(C)=C1CCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H30O7/c1-10-7-12-8-21(3,4)19(26)15(12)11(2)13(10)5-6-27-20-18(25)17(24)16(23)14(9-22)28-20/h7,14,16-18,20,22-25H,5-6,8-9H2,1-4H3",QFXWNTWJLHHEKX,UHFFFAOYSA,N,Pteroside Z,QFXWNTWJLHHEKX-UHFFFAOYSA-N
HMDB32588,638.475769088,C37H66O8,CCCCCC(O)CCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O8/c1-3-4-8-16-29(38)18-11-13-20-31(40)33-22-24-35(44-33)36-25-23-34(45-36)32(41)21-14-12-19-30(39)17-10-7-5-6-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3",MFGFWXCTLLADHW,UHFFFAOYSA,N,Purpurenin,MFGFWXCTLLADHW-UHFFFAOYSA-N
HMDB32589,220.109944378,C13H16O3,CC(C)CC(=O)C1=C(O)C=CC(=C1)C(C)=O,"InChI=1S/C13H16O3/c1-8(2)6-13(16)11-7-10(9(3)14)4-5-12(11)15/h4-5,7-8,15H,6H2,1-3H3",SXPHHWILAWXFLE,UHFFFAOYSA,N,1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone,SXPHHWILAWXFLE-UHFFFAOYSA-N
HMDB32590,194.094294314,C11H14O3,COC1=C(O)C=CC(CCC(C)=O)=C1,"InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3",OJYLAHXKWMRDGS,UHFFFAOYSA,N,Zingerone,OJYLAHXKWMRDGS-UHFFFAOYSA-N
HMDB32591,192.07864425,C11H12O3,COC1=C(O)C=CC(\C=C/C(C)=O)=C1,"InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3-",AFWKBSMFXWNGRE,ARJAWSKDSA,N,Dehydrozingerone,AFWKBSMFXWNGRE-ARJAWSKDSA-N
HMDB32592,150.068079564,C9H10O2,CC(=O)C1=C(O)C=CC(C)=C1,"InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3",YNPDFBFVMJNGKZ,UHFFFAOYSA,N,2'-Hydroxy-5'-methylacetophenone,YNPDFBFVMJNGKZ-UHFFFAOYSA-N
HMDB32593,135.055837856,C7H7N2O,OCC1=CC=C(C=C1)[N+]#N,"InChI=1S/C7H7N2O/c8-9-7-3-1-6(5-10)2-4-7/h1-4,10H,5H2/q+1",BTKRSPXVXZNYGV,UHFFFAOYSA,N,4-(Hydroxymethyl)benzenediazonium(1+),BTKRSPXVXZNYGV-UHFFFAOYSA-N
HMDB32594,152.047344122,C8H8O3,OCC1=CC=CC=C1C(O)=O,"InChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)",MGMNPSAERQZUIM,UHFFFAOYSA,N,2-(Hydroxymethyl)benzoic acid,MGMNPSAERQZUIM-UHFFFAOYSA-N
HMDB32595,179.058243159,C9H9NO3,COC1=CC=C(\C=C\N(=O)=O)C=C1,"InChI=1S/C9H9NO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-7H,1H3/b7-6+",JKQUXSHVQGBODD,VOTSOKGWSA,N,1-(4-Methoxyphenyl)-2-nitroethylene,JKQUXSHVQGBODD-VOTSOKGWSA-N
HMDB32596,465.309038113,C26H43NO6,CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)",RFDAIACWWDREDC,UHFFFAOYSA,N,Sodium glycocholate,RFDAIACWWDREDC-UHFFFAOYSA-N
HMDB32597,185.084063979,C12H11NO,OC1=CC=C(NC2=CC=CC=C2)C=C1,"InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H",JTTMYKSFKOOQLP,UHFFFAOYSA,N,4-Hydroxydiphenylamine,JTTMYKSFKOOQLP-UHFFFAOYSA-N
HMDB32598,150.031694058,C8H6O3,OC1=CC=CC2=C1COC2=O,"InChI=1S/C8H6O3/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3,9H,4H2",ZSCIMKFWMUXNBS,UHFFFAOYSA,N,4-Hydroxyphthalide,ZSCIMKFWMUXNBS-UHFFFAOYSA-N
HMDB32599,152.083729628,C9H12O2,OCCCC1=CC=C(O)C=C1,"InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2",NJCVPQRHRKYSAZ,UHFFFAOYSA,N,3-(4-Hydroxyphenyl)-1-propanol,NJCVPQRHRKYSAZ-UHFFFAOYSA-N
HMDB32600,414.152597052,C19H26O10,OC1COC(OCC2OC(OC3=CC=C(C=C)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C19H26O10/c1-2-9-3-5-10(6-4-9)28-19-17(25)15(23)14(22)12(29-19)8-27-18-16(24)13(21)11(20)7-26-18/h2-6,11-25H,1,7-8H2",DZMYOBBWRZTUTA,UHFFFAOYSA,N,Ptelatoside A,DZMYOBBWRZTUTA-UHFFFAOYSA-N
HMDB32601,442.271924326,C27H38O5,CC1C2C(CC3C4=CCC5=CC(=O)C(O)CC5(C)C4CC(O)C23C)OC11CCC(C)CO1,"InChI=1S/C27H38O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h6,9,14-15,18-19,21-24,29-30H,5,7-8,10-13H2,1-4H3",QRAOBCVRMVGMTN,UHFFFAOYSA,N,Muzanzagenin,QRAOBCVRMVGMTN-UHFFFAOYSA-N
HMDB32602,350.115423686,C21H18O5,COC1=CC(O)=C(C=C1)C1=CC2=C(OC1=O)C1=C(OC(C)(C)C=C1)C=C2,"InChI=1S/C21H18O5/c1-21(2)9-8-15-18(26-21)7-4-12-10-16(20(23)25-19(12)15)14-6-5-13(24-3)11-17(14)22/h4-11,22H,1-3H3",HYXYVJUECMXNLJ,UHFFFAOYSA,N,4'-O-Methylkanzonol W,HYXYVJUECMXNLJ-UHFFFAOYSA-N
HMDB32603,136.0524295,C8H8O2,CC1=CC(O)=C(C=O)C=C1,"InChI=1S/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3",JODRRPJMQDFCBJ,UHFFFAOYSA,N,2-Hydroxy-4-methylbenzaldehyde,JODRRPJMQDFCBJ-UHFFFAOYSA-N
HMDB32604,152.047344122,C8H8O3,COC1=CC=CC=C1C(O)=O,"InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)",ILUJQPXNXACGAN,UHFFFAOYSA,N,2-Methoxybenzoic acid,ILUJQPXNXACGAN-UHFFFAOYSA-N
HMDB32605,166.062994186,C9H10O3,COC(=O)C1=CC=CC=C1OC,"InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3",PFYHAAAQPNMZHO,UHFFFAOYSA,N,Methyl 2-methoxybenzoate,PFYHAAAQPNMZHO-UHFFFAOYSA-N
HMDB32606,152.047344122,C8H8O3,COC1=CC=CC(=C1)C(O)=O,"InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)",XHQZJYCNDZAGLW,UHFFFAOYSA,N,3-Methoxybenzoic acid,XHQZJYCNDZAGLW-UHFFFAOYSA-N
HMDB32607,182.094294314,C10H14O3,COC1=CC=C(C=C1)[C@H](O)[C@H](C)O,"InChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3/t7-,10+/m0/s1",MRDZSBVJWOXBRW,OIBJUYFYSA,N,(±)-threo-Anethole glycol,MRDZSBVJWOXBRW-OIBJUYFYSA-N
HMDB32608,134.073164942,C9H10O,CC(=O)C1=CC=C(C)C=C1,"InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3",GNKZMNRKLCTJAY,UHFFFAOYSA,N,4'-Methylacetophenone,GNKZMNRKLCTJAY-UHFFFAOYSA-N
HMDB32609,151.063328537,C8H9NO2,CNC1=CC=CC=C1C(O)=O,"InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)",WVMBPWMAQDVZCM,UHFFFAOYSA,N,2-(Methylamino)benzoic acid,WVMBPWMAQDVZCM-UHFFFAOYSA-N
HMDB32610,168.093900384,C13H12,CC1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3",ZZLCFHIKESPLTH,UHFFFAOYSA,N,4-Methylbiphenyl,ZZLCFHIKESPLTH-UHFFFAOYSA-N
HMDB32611,162.068079564,C10H10O2,COC1=CC=C(\C=C\C=O)C=C1,"InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+",AXCXHFKZHDEKTP,NSCUHMNNSA,N,3-(4-Methoxyphenyl)-2-propenal,AXCXHFKZHDEKTP-NSCUHMNNSA-N
HMDB32612,150.031694058,C8H6O3,O=CC1=CC2=C(OCO2)C=C1,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",SATCULPHIDQDRE,UHFFFAOYSA,N,"3,4-Methylenedioxybenzaldehyde",SATCULPHIDQDRE-UHFFFAOYSA-N
HMDB32613,166.02660868,C8H6O4,OC(=O)C1=CC2=C(OCO2)C=C1,"InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)",VDVJGIYXDVPQLP,UHFFFAOYSA,N,"3,4-Methylenedioxybenzoic acid",VDVJGIYXDVPQLP-UHFFFAOYSA-N
HMDB32614,194.057908808,C10H10O4,CC(=O)OCC1=CC2=C(OCO2)C=C1,"InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3",PFWYHTORQZAGCA,UHFFFAOYSA,N,Piperonyl acetate,PFWYHTORQZAGCA-UHFFFAOYSA-N
HMDB32615,166.099379692,C10H14O2,COC(CC1=CC=CC=C1)OC,"InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3",WNJSKZBEWNVKGU,UHFFFAOYSA,N,"1,1-Dimethoxy-2-phenylethane",WNJSKZBEWNVKGU-UHFFFAOYSA-N
HMDB32616,224.068473494,C11H12O5,COC1=CC(\C=C\C(O)=O)=CC(OC)=C1O,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",PCMORTLOPMLEFB,ONEGZZNKSA,N,Sinapic acid,PCMORTLOPMLEFB-ONEGZZNKSA-N
HMDB32617,150.068079564,C9H10O2,COC(=O)CC1=CC=CC=C1,"InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",CRZQGDNQQAALAY,UHFFFAOYSA,N,Methyl phenylacetate,CRZQGDNQQAALAY-UHFFFAOYSA-N
HMDB32618,164.083729628,C10H12O2,CCOC(=O)CC1=CC=CC=C1,"InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",DULCUDSUACXJJC,UHFFFAOYSA,N,Ethyl phenylacetate,DULCUDSUACXJJC-UHFFFAOYSA-N
HMDB32619,122.073164942,C8H10O,CC(O)C1=CC=CC=C1,"InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3",WAPNOHKVXSQRPX,UHFFFAOYSA,N,1-Phenylethanol,WAPNOHKVXSQRPX-UHFFFAOYSA-N
HMDB32620,164.083729628,C10H12O2,CC(OC(C)=O)C1=CC=CC=C1,"InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3",QUMXDOLUJCHOAY,UHFFFAOYSA,N,1-Phenylethyl acetate,QUMXDOLUJCHOAY-UHFFFAOYSA-N
HMDB32621,136.088815006,C9H12O,COCCC1=CC=CC=C1,"InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",CQLYXIUHVFRXLT,UHFFFAOYSA,N,(2-Methoxyethyl)benzene,CQLYXIUHVFRXLT-UHFFFAOYSA-N
HMDB32622,430.18389718,C20H30O10,CC1OC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3",OKUGUNDXBGUFPA,UHFFFAOYSA,N,Phenethyl rutinoside,OKUGUNDXBGUFPA-UHFFFAOYSA-N
HMDB32623,134.073164942,C9H10O,CCC(=O)C1=CC=CC=C1,"InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",KRIOVPPHQSLHCZ,UHFFFAOYSA,N,1-Phenyl-1-propanone,KRIOVPPHQSLHCZ-UHFFFAOYSA-N
HMDB32624,136.088815006,C9H12O,CCCC1=CC=CC=C1O,"InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3",LCHYEKKJCUJAKN,UHFFFAOYSA,N,2-Propylphenol,LCHYEKKJCUJAKN-UHFFFAOYSA-N
HMDB32625,136.088815006,C9H12O,CCCC1=CC=C(O)C=C1,"InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3",KLSLBUSXWBJMEC,UHFFFAOYSA,N,4-Propylphenol,KLSLBUSXWBJMEC-UHFFFAOYSA-N
HMDB32626,150.10446507,C10H14O,CCCC1=CC=C(OC)C=C1,"InChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3",KBHWKXNXTURZCD,UHFFFAOYSA,N,1-Methoxy-4-propylbenzene,KBHWKXNXTURZCD-UHFFFAOYSA-N
HMDB32627,134.109550448,C10H14,CCCC1=CC=CC=C1C,"InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3",YQZBFMJOASEONC,UHFFFAOYSA,N,1-Methyl-2-propylbenzene,YQZBFMJOASEONC-UHFFFAOYSA-N
HMDB32628,135.068413915,C8H9NO,NCC(=O)C1=CC=CC=C1,"InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2",HEQOJEGTZCTHCF,UHFFFAOYSA,N,2-Aminoacetophenone,HEQOJEGTZCTHCF-UHFFFAOYSA-N
HMDB32629,152.047344122,C8H8O3,CC(=O)C1=C(O)C=CC(O)=C1,"InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3",WLDWSGZHNBANIO,UHFFFAOYSA,N,"2',5'-Dihydroxyacetophenone",WLDWSGZHNBANIO-UHFFFAOYSA-N
HMDB32630,135.068413915,C8H9NO,CC(=O)C1=CC=CC=C1N,"InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3",GTDQGKWDWVUKTI,UHFFFAOYSA,N,2'-Aminoacetophenone,GTDQGKWDWVUKTI-UHFFFAOYSA-N
HMDB32635,191.131014171,C12H17NO,CCN(CC)C(=O)CC1=CC=CC=C1,"InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3",UXDAWVUDZLBBAM,UHFFFAOYSA,N,"N,N-Diethylbenzeneacetamide",UXDAWVUDZLBBAM-UHFFFAOYSA-N
HMDB32637,138.05032101,C8H10S,SCCC1=CC=CC=C1,"InChI=1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",ZMRFRBHYXOQLDK,UHFFFAOYSA,N,2-Phenylethanethiol,ZMRFRBHYXOQLDK-UHFFFAOYSA-N
HMDB32638,254.224580204,C16H30O2,CCCCCCCCCC\C=C\CCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h11-12H,2-10,13-15H2,1H3,(H,17,18)/b12-11+",KVXIRQZWCOAYRD,VAWYXSNFSA,N,(Z)-5-Hexadecenoic acid,KVXIRQZWCOAYRD-VAWYXSNFSA-N
HMDB32639,166.062994186,C9H10O3,COC(=O)C1=CC=C(OC)C=C1,"InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3",DDIZAANNODHTRB,UHFFFAOYSA,N,Methyl 4-methoxybenzoate,DDIZAANNODHTRB-UHFFFAOYSA-N
HMDB32640,180.07864425,C10H12O3,CCOC(=O)C1=CC=C(OC)C=C1,"InChI=1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3",FHUODBDRWMIBQP,UHFFFAOYSA,N,Ethyl p-anisate,FHUODBDRWMIBQP-UHFFFAOYSA-N
HMDB32641,244.109944378,C15H16O3,COC1=CC(CCC2=CC=CC=C2O)=CC(O)=C1,"InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3",IUMFLNFLJUUODE,UHFFFAOYSA,N,Batatasin IV,IUMFLNFLJUUODE-UHFFFAOYSA-N
HMDB32642,382.41746635,C26H54O,CCCCCCCCCCCCCCCCCCCCC(C)(O)CCCC,"InChI=1S/C26H54O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-26(3,27)24-7-5-2/h27H,4-25H2,1-3H3",ARDDYMQZJBTFEB,UHFFFAOYSA,N,5-Methyl-5-pentacosanol,ARDDYMQZJBTFEB-UHFFFAOYSA-N
HMDB32643,880.13343733,C40H32O23,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C=C(O)C(C(=O)C2=CC(O)=C(O)C=C2)=C1O,"InChI=1S/C40H32O23/c41-16-2-1-12(3-17(16)42)29(51)27-18(43)10-19(44)28(34(27)56)35-37(63-40(59)15-8-24(49)32(54)25(50)9-15)36(62-39(58)14-6-22(47)31(53)23(48)7-14)33(55)26(61-35)11-60-38(57)13-4-20(45)30(52)21(46)5-13/h1-10,26,33,35-37,41-50,52-56H,11H2",KBVKYXGJABWIOL,UHFFFAOYSA,N,"Maclurin 3-C-(2'',3'',6''-trigalloylglucoside)",KBVKYXGJABWIOL-UHFFFAOYSA-N
HMDB32644,262.047738052,C13H10O6,OC1=CC(O)=C(C(=O)C2=CC(O)=C(O)C=C2)C(O)=C1,"InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H",XNWPXDGRBWJIES,UHFFFAOYSA,N,Maclurin,XNWPXDGRBWJIES-UHFFFAOYSA-N
HMDB32645,424.100561482,C19H20O11,OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C(C(=O)C2=CC(O)=C(O)C=C2)=C1O,"InChI=1S/C19H20O11/c20-5-11-15(26)17(28)18(29)19(30-11)13-10(24)4-9(23)12(16(13)27)14(25)6-1-2-7(21)8(22)3-6/h1-4,11,15,17-24,26-29H,5H2",VYGJDASIWDWDAM,UHFFFAOYSA,N,"3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone",VYGJDASIWDWDAM-UHFFFAOYSA-N
HMDB32646,544.121690854,C26H24O13,OC1C(O)C(COC(=O)C2=CC=C(O)C=C2)OC(C1O)C1=C(O)C=C(O)C(C(=O)C2=CC(O)=C(O)C=C2)=C1O,"InChI=1S/C26H24O13/c27-12-4-1-10(2-5-12)26(37)38-9-17-21(33)23(35)24(36)25(39-17)19-16(31)8-15(30)18(22(19)34)20(32)11-3-6-13(28)14(29)7-11/h1-8,17,21,23-25,27-31,33-36H,9H2",NJIPOSKZXKMYEM,UHFFFAOYSA,N,Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),NJIPOSKZXKMYEM-UHFFFAOYSA-N
HMDB32647,512.459331164,C35H60O2,CCCCCCCCCCCC\C=C/CC\C=C/CC\C=C/CCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H60O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32-33(2)37-35(34)36/h14-15,18-19,22-23,32-33H,3-13,16-17,20-21,24-31H2,1-2H3/b15-14-,19-18-,23-22-",GTXRLWWQVRDMLK,VCHJKVOASA,N,Chatenaytrienin 2,GTXRLWWQVRDMLK-VCHJKVOASA-N
HMDB32648,514.474981228,C35H62O2,CCCCCCCCCCCCCC\C=C/CC\C=C/CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32-33(2)37-35(34)36/h16-17,20-21,32-33H,3-15,18-19,22-31H2,1-2H3/b17-16-,21-20-",SLIFFGRUNIQGDJ,BQGUDHRMSA,N,Muridienin 1,SLIFFGRUNIQGDJ-BQGUDHRMSA-N
HMDB32649,248.141244506,C15H20O3,CC1CC2OC(=O)C(=C)C2CC23OC2(C)CCC13,"InChI=1S/C15H20O3/c1-8-6-12-10(9(2)13(16)17-12)7-15-11(8)4-5-14(15,3)18-15/h8,10-12H,2,4-7H2,1,3H3",AIHKZOVNPAYCEL,UHFFFAOYSA,N,"4,5-Epoxy-11(13)-guaien-12,8-olide",AIHKZOVNPAYCEL-UHFFFAOYSA-N
HMDB32650,314.139233133,C18H20NO4,COC1=C(O)C=C2C3CC4=CC(O)=C(O)C=C4[N+]3(C)CCC2=C1,"InChI=1S/C18H19NO4/c1-19-4-3-10-7-18(23-2)17(22)8-12(10)14(19)5-11-6-15(20)16(21)9-13(11)19/h6-9,14H,3-5H2,1-2H3,(H2-,20,21,22)/p+1",HVZWFRMKXRRMBK,UHFFFAOYSA,O,Litcubinine,HVZWFRMKXRRMBK-UHFFFAOYSA-O
HMDB32651,126.031694058,C6H6O3,CC(=O)\C=C\C(=O)C=O,"InChI=1S/C6H6O3/c1-5(8)2-3-6(9)4-7/h2-4H,1H3/b3-2+",RFTMILUWMDIPHH,NSCUHMNNSA,N,(Z)-Tamarindienal,RFTMILUWMDIPHH-NSCUHMNNSA-N
HMDB32652,194.057908808,C10H10O4,COC1=C(OC)C2=C(COC2=O)C=C1,"InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3",ORFFGRQMMWVHIB,UHFFFAOYSA,N,Meconine,ORFFGRQMMWVHIB-UHFFFAOYSA-N
HMDB32653,208.005027076,C7H12OS3,CS(=O)C\C=C\SSCC=C,"InChI=1S/C7H12OS3/c1-3-5-9-10-6-4-7-11(2)8/h3-4,6H,1,5,7H2,2H3/b6-4+",FPQGSXSLZNUUFB,GQCTYLIASA,N,(Z)-[3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide,FPQGSXSLZNUUFB-GQCTYLIASA-N
HMDB32654,301.167793607,C18H23NO3,CC(C)CNC(=O)\C=C\CC\C=C\C1=CC2=C(OCO2)C=C1,"InChI=1S/C18H23NO3/c1-14(2)12-19-18(20)8-6-4-3-5-7-15-9-10-16-17(11-15)22-13-21-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,19,20)/b7-5+,8-6+",MRUXVACSRPRMSN,KQQUZDAGSA,N,"(E,E)-Futoamide",MRUXVACSRPRMSN-KQQUZDAGSA-N
HMDB32655,330.110338308,C18H18O6,COC1=C(O)C=CC(\C=C\C(=O)OCC(O)C2=CC=C(O)C=C2)=C1,"InChI=1S/C18H18O6/c1-23-17-10-12(2-8-15(17)20)3-9-18(22)24-11-16(21)13-4-6-14(19)7-5-13/h2-10,16,19-21H,11H2,1H3/b9-3+",CLQSQZGNPFWGAE,YCRREMRBSA,N,"(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol",CLQSQZGNPFWGAE-YCRREMRBSA-N
HMDB32656,216.07864425,C13H12O3,CO\C=C/C1=CC2=C(OC(=O)C=C2)C=C1C,"InChI=1S/C13H12O3/c1-9-7-12-11(3-4-13(14)16-12)8-10(9)5-6-15-2/h3-8H,1-2H3/b6-5-",GENWIQAWAHKDHA,WAYWQWQTSA,N,(Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one,GENWIQAWAHKDHA-WAYWQWQTSA-N
HMDB32657,454.141638436,C28H22O6,OC1=CC=C(C=C1)C1OC2=C(C=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C1C1=CC(O)=CC(O)=C1,"InChI=1S/C28H22O6/c29-20-6-4-18(5-7-20)28-27(19-12-23(32)15-24(33)13-19)25-11-16(3-8-26(25)34-28)1-2-17-9-21(30)14-22(31)10-17/h1-15,27-33H/b2-1+",LILPTCHQLRKZNG,OWOJBTEDSA,N,trans-delta-Viniferin,LILPTCHQLRKZNG-OWOJBTEDSA-N
HMDB32658,436.092495355,C21H21ClO8,COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(Cl)C(OC)=C2O1,"InChI=1S/C21H21ClO8/c1-24-11-8-7-10(9-12(11)25-2)16-21(29-6)15(23)13-17(26-3)19(27-4)14(22)20(28-5)18(13)30-16/h7-9H,1-6H3",YMQQCBFLPJFYJI,UHFFFAOYSA,N,"7-Chloro-3,3',4',5,6,8-hexamethoxyflavone",YMQQCBFLPJFYJI-UHFFFAOYSA-N
HMDB32659,232.037173366,C12H8O5,COC1=CC2=C(O1)C=CC1=C2OC(=O)C=C1O,"InChI=1S/C12H8O5/c1-15-11-4-7-9(16-11)3-2-6-8(13)5-10(14)17-12(6)7/h2-5,13H,1H3",CJAULYJMFDTPBE,UHFFFAOYSA,N,"4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one",CJAULYJMFDTPBE-UHFFFAOYSA-N
HMDB32660,234.071450382,C13H14O2S,CS\C=C/C#C\C=C1\OC2(CCCO2)C=C1,"InChI=1S/C13H14O2S/c1-16-11-4-2-3-6-12-7-9-13(15-12)8-5-10-14-13/h4,6-7,9,11H,5,8,10H2,1H3/b11-4-,12-6+",SOSDBVUESBQTDG,QFQHGIJPSA,N,"(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene",SOSDBVUESBQTDG-QFQHGIJPSA-N
HMDB32661,380.438201792,C27H56,CCCCCCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C27H56/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3/h27H,4-26H2,1-3H3",BEBPORIYFVRVCP,UHFFFAOYSA,N,2-Methylhexacosane,BEBPORIYFVRVCP-UHFFFAOYSA-N
HMDB32662,200.141244506,C11H20O3,OC(CCCCCCCC(O)=O)C=C,"InChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2,10,12H,1,3-9H2,(H,13,14)",CJUFNYIRKDOQMC,UHFFFAOYSA,N,(S)-9-Hydroxy-10-undecenoic acid,CJUFNYIRKDOQMC-UHFFFAOYSA-N
HMDB32663,224.104859,C12H16O4,COC1=CC(OC)=C(OC)C=C1CC(C)=O,"InChI=1S/C12H16O4/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-7H,5H2,1-4H3",AQZHZTTUVYQMIN,UHFFFAOYSA,N,Acoramone,AQZHZTTUVYQMIN-UHFFFAOYSA-N
HMDB32664,308.198759384,C18H28O4,CCC(=O)\C=C\C=C\C=C\C(O)CCCCCCCC(O)=O,"InChI=1S/C18H28O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14,17,20H,2-5,9,11,13,15H2,1H3,(H,21,22)/b7-6+,12-8+,14-10+",FCCFXOHVERVHQR,KDXRDGMUSA,N,Corchorifatty acid A,FCCFXOHVERVHQR-KDXRDGMUSA-N
HMDB32665,338.151809192,C21H22O4,COC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3CC=C(C)C)C1O2,"InChI=1S/C21H22O4/c1-12(2)4-6-15-18(22)9-8-16-20(15)24-11-17-14-7-5-13(23-3)10-19(14)25-21(16)17/h4-5,7-10,17,21-22H,6,11H2,1-3H3",NYWUHXBEDBSRQB,UHFFFAOYSA,N,Licoagrocarpin,NYWUHXBEDBSRQB-UHFFFAOYSA-N
HMDB32666,442.308309832,C28H42O4,CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(=O)C45CC(O)CCC4(C)C3(CCC12C)OO5,"InChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h7-8,15,17-22,29H,9-14,16H2,1-6H3/b8-7+",VXKGRYVCJKAYFC,BQYQJAHWSA,N,"(3beta,5alpha,9alpha,22E,24R)-5,9-Epidioxy-3-hydroxyergosta-7,22-dien-6-one",VXKGRYVCJKAYFC-BQYQJAHWSA-N
HMDB32667,444.323959896,C28H44O4,CC(C)C(C)CCC(C)C1CCC2C3=CC(=O)C45CC(O)CCC4(C)C3(CCC12C)OO5,"InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h15,17-22,29H,7-14,16H2,1-6H3",FZOPHVRKJMCTDV,UHFFFAOYSA,N,"5,9-Epidioxy-3-hydroxyergost-7-en-6-one",FZOPHVRKJMCTDV-UHFFFAOYSA-N
HMDB32668,442.344695338,C29H46O3,CC(C)C(C)C(\C)=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(O)CC33OOC21C=C3,"InChI=1S/C29H46O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-16,18,20-25,30H,8-13,17H2,1-7H3/b19-16+",BEFYGZGLHDYVIF,KNTRCKAVSA,N,"(3beta,22E,24R)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol",BEFYGZGLHDYVIF-KNTRCKAVSA-N
HMDB32669,458.33960996,C29H46O4,CC(C)C(C)C(\C)=C\C(C)C1CCC2C3=CC(=O)C4(O)CC(O)CCC4(C)C3(O)CCC12C,"InChI=1S/C29H46O4/c1-17(2)20(5)18(3)14-19(4)22-8-9-23-24-15-25(31)29(33)16-21(30)10-11-27(29,7)28(24,32)13-12-26(22,23)6/h14-15,17,19-23,30,32-33H,8-13,16H2,1-7H3/b18-14+",MRERMGPPCLQIPD,NBVRZTHBSA,N,"(3beta,5alpha,9alpha,22E,24R)-3,5,9-Trihydroxy-23-methylergosta-7,22-dien-6-one",MRERMGPPCLQIPD-NBVRZTHBSA-N
HMDB32670,250.066365004,C13H14O3S,CS(=O)\C=C/C#C\C=C1\OC2(CCCO2)C=C1,"InChI=1S/C13H14O3S/c1-17(14)11-4-2-3-6-12-7-9-13(16-12)8-5-10-15-13/h4,6-7,9,11H,5,8,10H2,1H3/b11-4-,12-6+",HGPOBYCDHSNTNP,QFQHGIJPSA,N,"2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene",HGPOBYCDHSNTNP-QFQHGIJPSA-N
HMDB32671,324.136159128,C20H20O4,CC(C)=CCC1=C(O)C=CC(\C=C\C(=O)C2=C(O)C=C(O)C=C2)=C1,"InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+",TVUGLERLRIQATC,BJMVGYQFSA,N,"(E)-2',4,4'-Trihydroxy-3-prenylchalcone",TVUGLERLRIQATC-BJMVGYQFSA-N
HMDB32672,276.20893014,C18H28O2,CC\C=C/C\C=C/CC\C=C\CC\C=C\CCC(O)=O,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,10-11,14-15H,2,5,8-9,12-13,16-17H2,1H3,(H,19,20)/b4-3-,7-6-,11-10+,15-14+",SIVLURJESSFFDP,FLVFHSTKSA,N,"4,8,12,15-Octadecatetraenoic acid",SIVLURJESSFFDP-FLVFHSTKSA-N
HMDB32673,270.161979948,C18H22O2,CC\C=C/C#CC#CC#CCCCCCCCC(O)=O,"InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,11-17H2,1H3,(H,19,20)/b4-3-",PNPJTOHNBYQMEA,ARJAWSKDSA,N,"15-Octadecene-9,11,13-triynoic acid",PNPJTOHNBYQMEA-ARJAWSKDSA-N
HMDB32674,242.167065326,C17H22O,C\C=C/C#CC#CC(O)\C=C\CCCCCC=C,"InChI=1S/C17H22O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h3-4,6,14,16-18H,1,5,7,9-10,12H2,2H3/b6-4-,16-14+",BVVCAUWTOOENBU,JSNTUCNZSA,N,"(Z,Z)-2,9,16-Heptadecatriene-4,6-diyn-8-ol",BVVCAUWTOOENBU-JSNTUCNZSA-N
HMDB32675,280.203844762,C17H28O3,CCCCCCCC(O)C(O)CC#CC#CC(O)CC,"InChI=1S/C17H28O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h15-20H,3-7,10,13-14H2,1-2H3",ZEWGSHDZCDJZJF,UHFFFAOYSA,N,Dihydropanaxacol,ZEWGSHDZCDJZJF-UHFFFAOYSA-N
HMDB32676,312.149222373,C17H25ClO3,CCCCCCCC1OC1CC#CC#CC(O)C(O)CCl,"InChI=1S/C17H25ClO3/c1-2-3-4-5-8-11-16-17(21-16)12-9-6-7-10-14(19)15(20)13-18/h14-17,19-20H,2-5,8,11-13H2,1H3",BPRJTLAULHNDLP,UHFFFAOYSA,N,Chloropanaxydiol,BPRJTLAULHNDLP-UHFFFAOYSA-N
HMDB32677,713.544183003,C40H75NO9,CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26-",HOMYIYLRRDTKAA,UYIJODJPSA,N,Soyacerebroside I,HOMYIYLRRDTKAA-UYIJODJPSA-N
HMDB32678,310.359951472,C22H46,CCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C22H46/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h22H,4-21H2,1-3H3",JQMPJOXNMWUULP,UHFFFAOYSA,N,2-Methylheneicosane,JQMPJOXNMWUULP-UHFFFAOYSA-N
HMDB32679,224.141244506,C13H20O3,CC(=O)CCC1C2(C)COC1(C)CC(=O)C2,"InChI=1S/C13H20O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h11H,4-8H2,1-3H3",WFJIRKYCKBTOGT,UHFFFAOYSA,N,Annuionone A,WFJIRKYCKBTOGT-UHFFFAOYSA-N
HMDB32680,446.303224454,C27H42O5,CC1C2C(CC3C4CC(O)C5CC(O)C(=O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3",BTSHHJQHTVNSLW,UHFFFAOYSA,N,Neoporrigenin B,BTSHHJQHTVNSLW-UHFFFAOYSA-N
HMDB32681,236.177630012,C15H24O2,CC(=O)CCCC1(C)CCC(CC1=O)C(C)=C,"InChI=1S/C15H24O2/c1-11(2)13-7-9-15(4,14(17)10-13)8-5-6-12(3)16/h13H,1,5-10H2,2-4H3",FCPUGTGXHMJFQH,UHFFFAOYSA,N,"10alpha-4,5-Seco-11-eudesmene-4,5-dione",FCPUGTGXHMJFQH-UHFFFAOYSA-N
HMDB32682,466.474981228,C31H62O2,CCCCCCCCCCCCCCCC(=O)CCCCCC(O)CCCCCCCCC,"InChI=1S/C31H62O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-23-27-31(33)29-25-21-24-28-30(32)26-22-19-17-10-8-6-4-2/h30,32H,3-29H2,1-2H3",QFHNVRXMVIWOFO,UHFFFAOYSA,N,10-Hydroxy-16-hentriacontanone,QFHNVRXMVIWOFO-UHFFFAOYSA-N
HMDB32683,165.025512907,C5H14AsO,C[As+](C)(C)CCO,"InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1",ORLOBEXOFQEWFQ,UHFFFAOYSA,N,Arsenocholine,ORLOBEXOFQEWFQ-UHFFFAOYSA-N
HMDB32684,208.008065699,C6H13AsO3,C[As+](C)(C)CC(O)C([O-])=O,"InChI=1S/C6H13AsO3/c1-7(2,3)4-5(8)6(9)10/h5,8H,4H2,1-3H3",UTNVEWHQVLDCMX,UHFFFAOYSA,N,Lactyltrimethylammonium betaine,UTNVEWHQVLDCMX-UHFFFAOYSA-N
HMDB32685,452.256274262,C28H36O5,CC1=C(C)C(=O)OC(C1)C1(C)OC23CCC1(O)C2(C)CCC1C3CC=C2C=CCC(=O)C12C,"InChI=1S/C28H36O5/c1-16-15-22(32-23(30)17(16)2)26(5)28(31)14-13-27(33-26)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-7,9,19-20,22,31H,8,10-15H2,1-5H3",KOYNICXFSFFIPU,UHFFFAOYSA,N,"(14alpha,17beta,20S,22R)-14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide",KOYNICXFSFFIPU-UHFFFAOYSA-N
HMDB32686,392.012224377,C10H21AsO9S,C[As](C)(=O)CC1OC(OCC(O)COS(O)=O)C(O)C1O,"InChI=1S/C10H21AsO9S/c1-11(2,15)3-7-8(13)9(14)10(20-7)18-4-6(12)5-19-21(16)17/h6-10,12-14H,3-5H2,1-2H3,(H,16,17)",GTSZMQQESJQGCI,UHFFFAOYSA,N,beta-D-3-[5-Deoxy-5-(dimethylarsinyl)ribofuranosyloxy]-2-hydroxy-1-propanesulfonic acid,GTSZMQQESJQGCI-UHFFFAOYSA-N
HMDB32688,188.065971074,C12H12S,CS\C=C/C#CCC1=CC=CC=C1,"InChI=1S/C12H12S/c1-13-11-7-3-6-10-12-8-4-2-5-9-12/h2,4-5,7-9,11H,10H2,1H3/b11-7-",BQJDNQQWNLQSGB,XFFZJAGNSA,N,(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne,BQJDNQQWNLQSGB-XFFZJAGNSA-N
HMDB32689,224.141244506,C13H20O3,CC(O)\C=C\C12OC1(C)CC(=O)CC2(C)C,"InChI=1S/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,9,14H,7-8H2,1-4H3/b6-5+",DZVNWYFIADDOQC,AATRIKPKSA,N,Annuionone C,DZVNWYFIADDOQC-AATRIKPKSA-N
HMDB32690,460.318874518,C28H44O5,CC(C)C(C)\C=C\C(C)C1CCC2(O)C3=CC(=O)C4(O)CC(O)CCC4(C)C3(O)CCC12C,"InChI=1S/C28H44O5/c1-17(2)18(3)7-8-19(4)21-10-12-26(31)22-15-23(30)28(33)16-20(29)9-11-25(28,6)27(22,32)14-13-24(21,26)5/h7-8,15,17-21,29,31-33H,9-14,16H2,1-6H3/b8-7+",RLODFSODJNFIMP,BQYQJAHWSA,N,"(3beta,5alpha,9alpha,14alpha,22E,24R)-3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one",RLODFSODJNFIMP-BQYQJAHWSA-N
HMDB32691,444.323959896,C28H44O4,CC(C)C(C)\C=C\C(C)C1CCC2(O)C3=C(CCC12C)C1(C)CCC(O)CC11OC1C3O,"InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-11-14-27(31)22-21(10-13-25(20,27)5)26(6)12-9-19(29)15-28(26)24(32-28)23(22)30/h7-8,16-20,23-24,29-31H,9-15H2,1-6H3/b8-7+",PEFVSALFOVYKAA,BQYQJAHWSA,N,"(3beta,5alpha,6alpha,7beta,14alpha,22E,24R)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol",PEFVSALFOVYKAA-BQYQJAHWSA-N
HMDB32692,902.451130058,C44H70O19,CC1C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)OC11CC(OC2OC(CO)C(O)C(O)C2O)C(C)CO1,"InChI=1S/C44H70O19/c1-17-14-58-44(12-27(17)60-41-38(55)34(51)32(49)28(13-45)61-41)18(2)30-26(63-44)11-22-20-10-24(46)23-9-19(5-7-42(23,3)21(20)6-8-43(22,30)4)59-40-37(54)35(52)33(50)29(62-40)16-57-39-36(53)31(48)25(47)15-56-39/h17-23,25-41,45,47-55H,5-16H2,1-4H3",IYLGRZBRMFMEOH,UHFFFAOYSA,N,Chinenoside VI,IYLGRZBRMFMEOH-UHFFFAOYSA-N
HMDB32693,622.480854466,C37H66O7,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCC(O)CCCC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-16-13-10-9-11-14-19-30(38)20-17-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3",QUGFUBNTTOOGMC,UHFFFAOYSA,N,Bullacin B,QUGFUBNTTOOGMC-UHFFFAOYSA-N
HMDB32694,944.534465756,C48H80O18,CC(=C)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C48H80O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h9-10,23-43,49-60H,1,11-21H2,2-8H3/b10-9+",WVXJFLAAYXXXHY,MDZDMXLPSA,N,Quinquenoside L1,WVXJFLAAYXXXHY-MDZDMXLPSA-N
HMDB32695,300.063388116,C16H12O6,COC1=C2C(=O)C(=COC2=CC(O)=C1)C1=C(O)C=C(O)C=C1,"InChI=1S/C16H12O6/c1-21-13-5-9(18)6-14-15(13)16(20)11(7-22-14)10-3-2-8(17)4-12(10)19/h2-7,17-19H,1H3",TUTSVLUUGMNALO,UHFFFAOYSA,N,Barpisoflavone A,TUTSVLUUGMNALO-UHFFFAOYSA-N
HMDB32696,300.063388116,C16H12O6,COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=C(O)C=C(O)C=C1,"InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3",ALFNTRJPGFNJQV,UHFFFAOYSA,N,Cajanin,ALFNTRJPGFNJQV-UHFFFAOYSA-N
HMDB32697,274.15689457,C17H22O3,CC(=O)OC1CCC(=C)C2CC3=C(CC12C)OC=C3C,"InChI=1S/C17H22O3/c1-10-5-6-16(20-12(3)18)17(4)8-15-13(7-14(10)17)11(2)9-19-15/h9,14,16H,1,5-8H2,2-4H3",RVODLNSWAHTRAO,UHFFFAOYSA,N,1b-Furanoeudesm-4(15)-en-1-ol acetate,RVODLNSWAHTRAO-UHFFFAOYSA-N
HMDB32698,320.162373878,C18H24O5,CC(C)C(=O)OCC1(CO1)C1=C(OC(=O)C(C)C)C=C(C)C=C1,"InChI=1S/C18H24O5/c1-11(2)16(19)21-9-18(10-22-18)14-7-6-13(5)8-15(14)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3",OLARKEMZPWGFJU,UHFFFAOYSA,N,"Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene",OLARKEMZPWGFJU-UHFFFAOYSA-N
HMDB32699,334.178023942,C19H26O5,CCC(C)C(=O)OCC1(CO1)C1=C(OC(=O)C(C)C)C=C(C)C=C1,"InChI=1S/C19H26O5/c1-6-14(5)18(21)22-10-19(11-23-19)15-8-7-13(4)9-16(15)24-17(20)12(2)3/h7-9,12,14H,6,10-11H2,1-5H3",DBEFONQGRSUFQO,UHFFFAOYSA,N,"3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene",DBEFONQGRSUFQO-UHFFFAOYSA-N
HMDB32700,334.178023942,C19H26O5,CC(C)CC(=O)OCC1(CO1)C1=C(OC(=O)C(C)C)C=C(C)C=C1,"InChI=1S/C19H26O5/c1-12(2)8-17(20)22-10-19(11-23-19)15-7-6-14(5)9-16(15)24-18(21)13(3)4/h6-7,9,12-13H,8,10-11H2,1-5H3",QVGMYLIEMRLBGN,UHFFFAOYSA,N,"3-(2-Methylpropanoyloxy)-8-(3-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene",QVGMYLIEMRLBGN-UHFFFAOYSA-N
HMDB32702,322.178023942,C18H26O5,CC1CCCC(O)CCCCCC2=CC(O)=CC(O)=C2C(=O)O1,"InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3",DWTTZBARDOXEAM,UHFFFAOYSA,N,Zeranol,DWTTZBARDOXEAM-UHFFFAOYSA-N
HMDB32705,222.110338308,C9H18O6,CC(C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C9H18O6/c1-4(2)14-9-8(13)7(12)6(11)5(3-10)15-9/h4-13H,3H2,1-2H3",UOEFDXYUEPHESS,UHFFFAOYSA,N,Isopropyl beta-D-glucoside,UOEFDXYUEPHESS-UHFFFAOYSA-N
HMDB32706,202.062994186,C12H10O3,OC(=O)COC1=CC2=CC=CC=C2C=C1,"InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)",RZCJYMOBWVJQGV,UHFFFAOYSA,N,(2-Naphthalenyloxy)acetic acid,RZCJYMOBWVJQGV-UHFFFAOYSA-N
HMDB32707,288.063388116,C15H12O6,OC1=CC(O)=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C15H12O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-5,10,16-19H,6H2",WNHXBLZBOWXNQO,UHFFFAOYSA,N,Dalbergioidin,WNHXBLZBOWXNQO-UHFFFAOYSA-N
HMDB32708,186.068079564,C12H10O2,OC(=O)CC1=C2C=CC=CC2=CC=C1,"InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)",PRPINYUDVPFIRX,UHFFFAOYSA,N,1-Naphthaleneacetic acid,PRPINYUDVPFIRX-UHFFFAOYSA-N
HMDB32709,214.099379692,C14H14O2,CCOC(=O)CC1=CC=CC2=CC=CC=C12,"InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3",XIDPSKQLXKCVQN,UHFFFAOYSA,N,Ethyl 1-naphthylacetic acid,XIDPSKQLXKCVQN-UHFFFAOYSA-N
HMDB32710,185.084063979,C12H11NO,NC(=O)CC1=CC=CC2=C1C=CC=C2,"InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)",XFNJVKMNNVCYEK,UHFFFAOYSA,N,2-(1-Naphthyl)acetamide,XFNJVKMNNVCYEK-UHFFFAOYSA-N
HMDB32711,888.450736128,C47H68O16,CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)C(O)=O)O4)C1O,"InChI=1S/C47H68O16/c1-25-9-10-31-33(21-36(56-31)47(54)38(49)27(3)13-19-55-47)57-40(51)28(4)30-8-7-14-45(58-30)16-11-32(59-45)39(50)43(6)23-29(48)37(62-43)34-24-44(41(52)53)17-18-46(60-34,63-44)35-12-15-42(5,61-35)22-26(2)20-25/h9-10,20,26-28,30-39,49-50,54H,7-8,11-19,21-24H2,1-6H3,(H,52,53)/b10-9+,25-20+",IJSPTHZVVHPQQN,NHXXOZDJSA,N,Pectenotoxin 7,IJSPTHZVVHPQQN-NHXXOZDJSA-N
HMDB32712,152.15650064,C11H20,CCCCCC\C=C\CC=C,"InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,7,9H,1,4-6,8,10-11H2,2H3/b9-7+",KHZYHTLTISWFGH,VQHVLOKHSA,N,"1,4-Undecadiene",KHZYHTLTISWFGH-VQHVLOKHSA-N
HMDB32713,202.062994186,C12H10O3,OC1=CC=C(C=C1)C1=CC(O)=CC(O)=C1,"InChI=1S/C12H10O3/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-7,13-15H",HSZOQEGJICWJDP,UHFFFAOYSA,N,"3,4',5-Biphenyltriol",HSZOQEGJICWJDP-UHFFFAOYSA-N
HMDB32714,592.506675286,C37H68O5,CCCCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H68O5/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3",UXILAQXAZFVOFT,UHFFFAOYSA,N,cis-Uvariamicin IB,UXILAQXAZFVOFT-UHFFFAOYSA-N
HMDB32715,346.14297584,C20H18N4O2,OC1=CC=CC(CC2=NC=CN2)=C1OC1=CC=CC(CC2=NC=CN2)=C1,"InChI=1S/C20H18N4O2/c25-17-6-2-4-15(13-19-23-9-10-24-19)20(17)26-16-5-1-3-14(11-16)12-18-21-7-8-22-18/h1-11,25H,12-13H2,(H,21,22)(H,23,24)",RQNSAUQJLRAUMV,UHFFFAOYSA,N,Lepidine B,RQNSAUQJLRAUMV-UHFFFAOYSA-N
HMDB32716,346.14297584,C20H18N4O2,OC1=CC=C(OC2=CC=CC(CC3=NC=CN3)=C2)C(CC2=NC=CN2)=C1,"InChI=1S/C20H18N4O2/c25-16-4-5-18(15(12-16)13-20-23-8-9-24-20)26-17-3-1-2-14(10-17)11-19-21-6-7-22-19/h1-10,12,25H,11,13H2,(H,21,22)(H,23,24)",KDBJPLXCURQBOE,UHFFFAOYSA,N,Lepidine D,KDBJPLXCURQBOE-UHFFFAOYSA-N
HMDB32717,360.158625904,C21H20N4O2,COC1=CC=C(OC2=CC=CC(CC3=NC=CN3)=C2)C(CC2=NC=CN2)=C1,"InChI=1S/C21H20N4O2/c1-26-17-5-6-19(16(13-17)14-21-24-9-10-25-21)27-18-4-2-3-15(11-18)12-20-22-7-8-23-20/h2-11,13H,12,14H2,1H3,(H,22,23)(H,24,25)",GTJSRUGILPIENS,UHFFFAOYSA,N,Lepidine C,GTJSRUGILPIENS-UHFFFAOYSA-N
HMDB32718,357.230393863,C22H31NO3,CC(C)CNC(=O)\C=C\C=C\CCCCCCC1=CC2=C(OCO2)C=C1,"InChI=1S/C22H31NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h6,8,10,12-15,18H,3-5,7,9,11,16-17H2,1-2H3,(H,23,24)/b8-6+,12-10+",DMIKQRDDTCGOLE,VTKKNFPDSA,N,Dihydroretrofractamide B,DMIKQRDDTCGOLE-VTKKNFPDSA-N
HMDB32719,721.388470223,C34H59NO15,CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCCC(O)C(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C34H59NO15/c1-5-6-10-20(3)32(50-30(43)18-23(34(47)48)16-28(40)41)26(49-29(42)17-22(33(45)46)15-27(38)39)14-19(2)13-24(36)11-8-7-9-12-25(37)31(44)21(4)35/h19-26,31-32,36-37,44H,5-18,35H2,1-4H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48)",IYHQYIAATKLXJR,UHFFFAOYSA,N,Isofumonisin B1,IYHQYIAATKLXJR-UHFFFAOYSA-N
HMDB32720,1570.167494968,C68H50O44,OC1C(O)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(OC4=C(C=C(O)C(O)=C4O)C(=O)OC4OC5COC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC5C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C4OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C3C(=O)OCC2OC1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C68H50O44/c69-22-1-14(2-23(70)39(22)79)59(94)109-57-56-34(13-103-62(97)17-7-28(75)42(82)47(87)35(17)36-19(65(100)108-56)9-30(77)43(83)48(36)88)106-68(58(57)110-60(95)15-3-24(71)40(80)25(72)4-15)112-66(101)21-10-31(78)45(85)51(91)54(21)104-32-11-20-38(50(90)46(32)86)37-18(8-29(76)44(84)49(37)89)64(99)107-55-33(12-102-63(20)98)105-67(53(93)52(55)92)111-61(96)16-5-26(73)41(81)27(74)6-16/h1-11,33-34,52-53,55-58,67-93H,12-13H2",MCGBUJRCIHNSPF,UHFFFAOYSA,N,Heterophylliin F,MCGBUJRCIHNSPF-UHFFFAOYSA-N
HMDB32721,334.000740384,C11H12O8P2,CC1=C(OP(O)(O)=O)C2=CC=CC=C2C(OP(O)(O)=O)=C1,"InChI=1S/C11H12O8P2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17)",JTNHOVZOOVVGHI,UHFFFAOYSA,N,"2-Methyl-1,4-naphthalenediol bis(dihydrogen phosphate)",JTNHOVZOOVVGHI-UHFFFAOYSA-N
HMDB32723,333.981708676,C11H10O8S2,CC1=C(OS(O)(=O)=O)C2=CC=CC=C2C(OS(O)(=O)=O)=C1,"InChI=1S/C11H10O8S2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H,12,13,14)(H,15,16,17)",JYJGXBHAXCGVHV,UHFFFAOYSA,N,Menadiol disulfate,JYJGXBHAXCGVHV-UHFFFAOYSA-N
HMDB32725,258.089208936,C15H14O4,CC(=O)OC1=CC(C)=C(OC(C)=O)C2=CC=CC=C12,"InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3",RYWSYCQQUDFMAU,UHFFFAOYSA,N,Acetomenaphthone,RYWSYCQQUDFMAU-UHFFFAOYSA-N
HMDB32726,314.151809192,C19H22O4,CCCC(=O)OC1=CC(C)=C(OC(=O)CCC)C2=CC=CC=C12,"InChI=1S/C19H22O4/c1-4-8-17(20)22-16-12-13(3)19(23-18(21)9-5-2)15-11-7-6-10-14(15)16/h6-7,10-12H,4-5,8-9H2,1-3H3",TUWJQNVAGYRRHA,UHFFFAOYSA,N,Menadiol dibutyrate,TUWJQNVAGYRRHA-UHFFFAOYSA-N
HMDB32727,174.068079564,C11H10O2,COC1=CC=C(O)C2=CC=CC=C12,"InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3",BOTGCZBEERTTDQ,UHFFFAOYSA,N,4-Methoxy-1-naphthol,BOTGCZBEERTTDQ-UHFFFAOYSA-N
HMDB32728,446.194067936,C24H30O8,COC1=CC(CC2COC(=O)C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,"InChI=1S/C24H30O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17H,7-8,13H2,1-6H3",VUNCHONBJWJYID,UHFFFAOYSA,N,Cubebininolide,VUNCHONBJWJYID-UHFFFAOYSA-N
HMDB32729,410.172938564,C24H26O6,COC1=C(CC=C(C)C)C2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(O2)C(O)=C(O)C=C1,"InChI=1S/C24H26O6/c1-12(2)6-8-14-19(26)18-20(27)15-10-11-17(25)21(28)24(15)30-23(18)16(22(14)29-5)9-7-13(3)4/h6-7,10-11,25-26,28H,8-9H2,1-5H3",SGSSJGOWXOYJNC,UHFFFAOYSA,N,Dulxanthone B,SGSSJGOWXOYJNC-UHFFFAOYSA-N
HMDB32730,520.209718,C30H32O8,COC1=C(O)C=CC(CC2COCC2CC2=CC(OC)=C(OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C=C2)=C1,"InChI=1S/C30H32O8/c1-34-27-14-19(4-8-24(27)31)7-11-30(33)38-26-10-6-21(16-29(26)36-3)13-23-18-37-17-22(23)12-20-5-9-25(32)28(15-20)35-2/h4-11,14-16,22-23,31-32H,12-13,17-18H2,1-3H3/b11-7+",WUMFMXNTYLFVSJ,YRNVUSSQSA,N,Divanillyltetrahydrofuran ferulate,WUMFMXNTYLFVSJ-YRNVUSSQSA-N
HMDB32731,376.152203122,C20H24O7,C\C=C(/C)C(=O)OC1CC(C)(O)\C=C/C(=O)/C(CO)=C\C2OC(=O)C(=C)C12,"InChI=1S/C20H24O7/c1-5-11(2)18(23)27-16-9-20(4,25)7-6-14(22)13(10-21)8-15-17(16)12(3)19(24)26-15/h5-8,15-17,21,25H,3,9-10H2,1-2,4H3/b7-6-,11-5+,13-8-",NEJKUCWBWUMARI,IOZUUXKMSA,N,"(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide",NEJKUCWBWUMARI-IOZUUXKMSA-N
HMDB32732,564.475375158,C35H64O5,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3",RBSBTRALZZSVBA,UHFFFAOYSA,N,cis-Solamin,RBSBTRALZZSVBA-UHFFFAOYSA-N
HMDB32733,372.1572885,C21H24O6,COC1=C(OC)C=C(CC2C(CC3=CC4=C(OCO4)C=C3)COC2O)C=C1,"InChI=1S/C21H24O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3",FDXPFHFRXMBVEU,UHFFFAOYSA,N,"(8R,8'R,9S)-9-Hydroxy-3,4-dimethoxy-3',4'-methylenoxy-9,9'-epoxylignan",FDXPFHFRXMBVEU-UHFFFAOYSA-N
HMDB32734,372.1572885,C21H24O6,COC1=CC=C(CC2COC(O)C2CC2=CC=C3OCOC3=C2)C=C1OC,"InChI=1S/C21H24O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3",VHLUROMCVXTWNM,UHFFFAOYSA,N,"9-Hydroxy-3',4'-dimethoxy-3,4-methylenedioxy-9,9'-epoxylignan",VHLUROMCVXTWNM-UHFFFAOYSA-N
HMDB32735,380.292659768,C23H40O4,CCCCC\C=C/C\C=C/CCCCCCCC(=O)CC(CO)OC(C)=O,"InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)19-23(20-24)27-21(2)25/h7-8,10-11,23-24H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-",ZAIRPZJGPNIHRZ,NQLNTKRDSA,N,Isopersin,ZAIRPZJGPNIHRZ-NQLNTKRDSA-N
HMDB32736,342.110338308,C19H18O6,COC1=C(O)C=C2OC3=CC(O)=CC(O)=C3C(=O)C2=C1CC=C(C)C,"InChI=1S/C19H18O6/c1-9(2)4-5-11-16-15(8-13(22)19(11)24-3)25-14-7-10(20)6-12(21)17(14)18(16)23/h4,6-8,20-22H,5H2,1-3H3",JZLXKPGAABLTJE,UHFFFAOYSA,N,Dulxanthone D,JZLXKPGAABLTJE-UHFFFAOYSA-N
HMDB32737,340.167459256,C21H24O4,CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1,"InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3",LCFVJGUPQDGYKZ,UHFFFAOYSA,N,"2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane",LCFVJGUPQDGYKZ-UHFFFAOYSA-N
HMDB32738,450.05554232,C19H18N2O7S2,CC1=CC(C)=C(C=C1C)\N=N\C1=C(O)C(=CC2=CC(=CC=C12)S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C19H18N2O7S2/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28)/b21-20+",OQQYJPVCDFFEIV,QZQOTICOSA,N,C.I. Food Red 6,OQQYJPVCDFFEIV-QZQOTICOSA-N
HMDB32739,109.986006194,C2H6OS2,CSS(C)=O,InChI=1S/C2H6OS2/c1-4-5(2)3/h1-2H3,RRGUMJYEQDVBFP,UHFFFAOYSA,N,S-Methyl methanesulfinothioate,RRGUMJYEQDVBFP-UHFFFAOYSA-N
HMDB32740,309.303164875,C20H39NO,CCCCCCCCCCCCCCCC(=O)N1CCCC1,"InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h2-19H2,1H3",ULDNZNZTSYZQKK,UHFFFAOYSA,N,N-Hexadecanoylpyrrolidine,ULDNZNZTSYZQKK-UHFFFAOYSA-N
HMDB32741,164.032956386,C6H12OS2,CCCS(=O)SCC=C,"InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3H,1,4-6H2,2H3",HGCYYFWMWRCDLT,UHFFFAOYSA,N,S-2-Propenyl 1-propanesulfinothioate,HGCYYFWMWRCDLT-UHFFFAOYSA-N
HMDB32742,346.126382302,C15H22O9,COC1=CC(CO)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C15H22O9/c1-21-8-3-7(5-16)4-9(22-2)14(8)24-15-13(20)12(19)11(18)10(6-17)23-15/h3-4,10-13,15-20H,5-6H2,1-2H3",RWIINOLFQCPJMH,UHFFFAOYSA,N,Di-O-methylcrenatin,RWIINOLFQCPJMH-UHFFFAOYSA-N
HMDB32743,490.168641046,C21H30O13,COC1=CC(OC)=C(C(C)=O)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C1,"InChI=1S/C21H30O13/c1-8(22)14-11(30-3)4-9(29-2)5-12(14)33-21-19(28)17(26)16(25)13(34-21)7-32-20-18(27)15(24)10(23)6-31-20/h4-5,10,13,15-21,23-28H,6-7H2,1-3H3",BAYBVSSLAYYEKP,UHFFFAOYSA,N,Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside],BAYBVSSLAYYEKP-UHFFFAOYSA-N
HMDB32744,136.001656258,C4H8OS2,CSS(=O)CC=C,"InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3H,1,4H2,2H3",ZIMQNNOENLFVMT,UHFFFAOYSA,N,S-Methyl 2-propene-1-sulfinothioate,ZIMQNNOENLFVMT-UHFFFAOYSA-N
HMDB32745,136.001656258,C4H8OS2,CS(=O)SCC=C,"InChI=1S/C4H8OS2/c1-3-4-6-7(2)5/h3H,1,4H2,2H3",BBZQGJLFMJHRSD,UHFFFAOYSA,N,S-2-Propenyl methanesulfinothioate,BBZQGJLFMJHRSD-UHFFFAOYSA-N
HMDB32746,136.001656258,C4H8OS2,CSS(=O)\C=C/C,"InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3-4H,1-2H3/b4-3-",LXYFYPXBSIMFKX,ARJAWSKDSA,N,(Z)-S-Methyl 1-propenesulfinothioate,LXYFYPXBSIMFKX-ARJAWSKDSA-N
HMDB32747,136.001656258,C4H8OS2,C\C=C/SS(C)=O,"InChI=1S/C4H8OS2/c1-3-4-6-7(2)5/h3-4H,1-2H3/b4-3-",FCQZRAVPZFRUNA,ARJAWSKDSA,N,(Z)-S-1-Propenyl methanesulfinothioate,FCQZRAVPZFRUNA-ARJAWSKDSA-N
HMDB32748,164.032956386,C6H12OS2,CCCS(=O)S\C=C/C,"InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3-",XLVMWOFYTFNDKM,HYXAFXHYSA,N,R-1-Propenyl 1-propanesulfinothioate,XLVMWOFYTFNDKM-HYXAFXHYSA-N
HMDB32749,164.032956386,C6H12OS2,CCCSS(=O)\C=C/C,"InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3/b6-4-",PQPRIQKDDOEUMO,XQRVVYSFSA,N,R-Propyl 1-propenesulfinothioate,PQPRIQKDDOEUMO-XQRVVYSFSA-N
HMDB32750,162.017306322,C6H10OS2,C\C=C\S(=O)SCC=C,"InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+",MMTFXWIIILIGFN,GQCTYLIASA,N,S-2-Propenyl 1-propenesulfinothioate,MMTFXWIIILIGFN-GQCTYLIASA-N
HMDB32751,162.017306322,C6H10OS2,C\C=C\SS(=O)CC=C,"InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-5H,2,6H2,1H3/b5-3+",UALJWNWDDJRJTL,HWKANZROSA,N,S-1-Propenyl 2-propenesulfinothioate,UALJWNWDDJRJTL-HWKANZROSA-N
HMDB32752,162.017306322,C6H10OS2,C\C=C/S(=O)SCC=C,"InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4-",MMTFXWIIILIGFN,XQRVVYSFSA,N,R-2-Propenyl 1-propenesulfinothioate,MMTFXWIIILIGFN-XQRVVYSFSA-N
HMDB32753,162.017306322,C6H10OS2,C\C=C/SS(=O)CC=C,"InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-5H,2,6H2,1H3/b5-3-",UALJWNWDDJRJTL,HYXAFXHYSA,N,R-1-Propenyl 2-propenesulfinothioate,UALJWNWDDJRJTL-HYXAFXHYSA-N
HMDB32754,578.454639716,C35H62O6,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CC\C=C\CCCCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(37)33-24-25-34(41-33)32(38)23-20-17-14-11-10-12-15-18-21-30-27-29(26-28(2)36)35(39)40-30/h14,17,29-34,37-38H,3-13,15-16,18-27H2,1-2H3/b17-14+",YFCCZVVITZJHSQ,SAPNQHFASA,N,Isomurisolenin,YFCCZVVITZJHSQ-SAPNQHFASA-N
HMDB32755,205.073893223,C11H11NO3,CON1C=C(C(=O)OC)C2=CC=CC=C12,"InChI=1S/C11H11NO3/c1-14-11(13)9-7-12(15-2)10-6-4-3-5-8(9)10/h3-7H,1-2H3",JAAYVMHPQAMBJS,UHFFFAOYSA,N,Methyl 1-methoxy-1H-indole-3-carboxylate,JAAYVMHPQAMBJS-UHFFFAOYSA-N
HMDB32756,202.11061308,C12H14N2O,CNC(=O)CCC1=CNC2=C1C=CC=C2,"InChI=1S/C12H14N2O/c1-13-12(15)7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)",YRFPBFOOZPGAAH,UHFFFAOYSA,N,N-Methyl-1H-indole-3-propanamide,YRFPBFOOZPGAAH-UHFFFAOYSA-N
HMDB32757,209.084063979,C14H11NO,CC1=CC2=C(C=C1)N(C=O)C1=CC=CC=C21,"InChI=1S/C14H11NO/c1-10-6-7-14-12(8-10)11-4-2-3-5-13(11)15(14)9-16/h2-9H,1H3",ODQBPNZNDIOBFN,UHFFFAOYSA,N,3-Methyl-9H-carbazole-9-carboxaldehyde,ODQBPNZNDIOBFN-UHFFFAOYSA-N
HMDB32758,253.110278729,C16H15NO2,CCOC(=O)N1C2=CC=CC=C2C2=C1C=CC(C)=C2,"InChI=1S/C16H15NO2/c1-3-19-16(18)17-14-7-5-4-6-12(14)13-10-11(2)8-9-15(13)17/h4-10H,3H2,1-2H3",OZYJBMQHTNVEAD,UHFFFAOYSA,N,Ethyl 3-methyl-9H-carbazole-9-carboxylate,OZYJBMQHTNVEAD-UHFFFAOYSA-N
HMDB32759,352.142307138,C20H20N2O4,COC1=CC(\C=C\C(=O)NCCC2=CNC3=C2C=C(O)C=C3)=CC=C1O,"InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+",WGHKJYWENWLOMY,XVNBXDOJSA,N,Moschamine,WGHKJYWENWLOMY-XVNBXDOJSA-N
HMDB32760,484.184565882,C25H28N2O8,OCC1OC(OC2=CC3=C(NC=C3CCNC(=O)\C=C\C3=CC=C(O)C=C3)C=C2)C(O)C(O)C1O,"InChI=1S/C25H28N2O8/c28-13-20-22(31)23(32)24(33)25(35-20)34-17-6-7-19-18(11-17)15(12-27-19)9-10-26-21(30)8-3-14-1-4-16(29)5-2-14/h1-8,11-12,20,22-25,27-29,31-33H,9-10,13H2,(H,26,30)/b8-3+",LPGWQGDUKIPAME,FPYGCLRLSA,N,Nb-trans-p-Coumaroylserotonin glucoside,LPGWQGDUKIPAME-FPYGCLRLSA-N
HMDB32761,514.195130568,C26H30N2O9,COC1=CC(\C=C\C(=O)NCCC2=CNC3=C2C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)=CC=C1O,"InChI=1S/C26H30N2O9/c1-35-20-10-14(2-6-19(20)30)3-7-22(31)27-9-8-15-12-28-18-5-4-16(11-17(15)18)36-26-25(34)24(33)23(32)21(13-29)37-26/h2-7,10-12,21,23-26,28-30,32-34H,8-9,13H2,1H3,(H,27,31)/b7-3+",RZBNXMNICVMBNE,XVNBXDOJSA,N,Nb-trans-Feruloylserotonin glucoside,RZBNXMNICVMBNE-XVNBXDOJSA-N
HMDB32762,646.174514284,C27H34O18,OCC1OC(OC2C(O)C(O)C(OC3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)OC2CO)C(O)C(O)C1O,"InChI=1S/C27H34O18/c28-5-13-17(35)18(36)20(38)26(42-13)44-24-14(6-29)43-27(21(39)19(24)37)45-25-15-9(31)3-8(30)4-12(15)41-23(22(25)40)7-1-10(32)16(34)11(33)2-7/h1-4,13-14,17-40H,5-6H2",QDZRWBGIKIHOHH,UHFFFAOYSA,N,Leucodelphinidin 3-[galactosyl-(1->4)-glucoside],QDZRWBGIKIHOHH-UHFFFAOYSA-N
HMDB32763,246.096419578,C8H14N4O5,NC(=N)NCCCC(NC(=O)C(O)=O)C(O)=O,"InChI=1S/C8H14N4O5/c9-8(10)11-3-1-2-4(6(14)15)12-5(13)7(16)17/h4H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H4,9,10,11)",INOVTBRJCBIPOS,UHFFFAOYSA,N,N2-Oxalylarginine,INOVTBRJCBIPOS-UHFFFAOYSA-N
HMDB32764,274.127719706,C10H18N4O5,NC(=N)NCCCC(N=C(O)CCC(O)=O)C(O)=O,"InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)",UMOXFSXIFQOWTD,UHFFFAOYSA,N,N2-Succinoylarginine,UMOXFSXIFQOWTD-UHFFFAOYSA-N
HMDB32765,290.122634328,C10H18N4O6,NC(=N)NCCCC(NC(=O)CC(O)C(O)=O)C(O)=O,"InChI=1S/C10H18N4O6/c11-10(12)13-3-1-2-5(8(17)18)14-7(16)4-6(15)9(19)20/h5-6,15H,1-4H2,(H,14,16)(H,17,18)(H,19,20)(H4,11,12,13)",RPIGYIHDWMPXDY,UHFFFAOYSA,N,N2-(3-Hydroxysuccinoyl)arginine,RPIGYIHDWMPXDY-UHFFFAOYSA-N
HMDB32766,348.128113636,C12H20N4O8,COC(=O)C(O)(CC(O)=O)C(=O)NC(CCCNC(N)=N)C(O)=O,"InChI=1S/C12H20N4O8/c1-24-10(22)12(23,5-7(17)18)9(21)16-6(8(19)20)3-2-4-15-11(13)14/h6,23H,2-5H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H4,13,14,15)",VFYGIOOMURRJLU,UHFFFAOYSA,N,N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine,VFYGIOOMURRJLU-UHFFFAOYSA-N
HMDB32767,342.13146768,C16H22O8,COC1=C(O)C=C(CC=C)C=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H22O8/c1-3-4-8-5-9(18)15(22-2)10(6-8)23-16-14(21)13(20)12(19)11(7-17)24-16/h3,5-6,11-14,16-21H,1,4,7H2,2H3",PCHIAQZAMZOONE,UHFFFAOYSA,N,Sphalleroside A,PCHIAQZAMZOONE-UHFFFAOYSA-N
HMDB32768,668.201478274,C37H36N2O6S2,CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O,"InChI=1S/C37H36N2O6S2/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45)",SRRJCDUOSQWHGS,UHFFFAOYSA,N,C.I. Acid Green 3,SRRJCDUOSQWHGS-UHFFFAOYSA-N
HMDB32769,259.105587281,C11H17NO6,C\C(COC1OC(CO)C(O)C(O)C1O)=C/C#N,"InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2+",DAVUWBZDLSJMFA,QHHAFSJGSA,N,Osmaronin,DAVUWBZDLSJMFA-QHHAFSJGSA-N
HMDB32770,378.204238692,C21H30O6,COC12CC3CCC(O)C(C)C3(C)C(OC(=O)C(\C)=C\C)C1=C(C)C(=O)O2,"InChI=1S/C21H30O6/c1-7-11(2)18(23)26-17-16-12(3)19(24)27-21(16,25-6)10-14-8-9-15(22)13(4)20(14,17)5/h7,13-15,17,22H,8-10H2,1-6H3/b11-7+",BMPRGPGLZWJNOP,YRNVUSSQSA,N,Eremopetasitenin C1,BMPRGPGLZWJNOP-YRNVUSSQSA-N
HMDB32771,478.202524132,C25H34O7S,COC12CC3CCC(OC(=O)\C=C\SC)C(C)C3(C)C(OC(=O)C(\C)=C\C)C1=C(C)C(=O)O2,"InChI=1S/C25H34O7S/c1-8-14(2)22(27)31-21-20-15(3)23(28)32-25(20,29-6)13-17-9-10-18(16(4)24(17,21)5)30-19(26)11-12-33-7/h8,11-12,16-18,21H,9-10,13H2,1-7H3/b12-11+,14-8+",WAJCGTCCWFRXDF,ITPIBKHASA,N,Eremopetasitenin C2,WAJCGTCCWFRXDF-ITPIBKHASA-N
HMDB32772,410.176309382,C21H30O6S,COC1C2=C(C)C(=O)OC2(CC2CCC(OC(=O)\C=C\SC)C(C)C12C)OC,"InChI=1S/C21H30O6S/c1-12-17-18(24-4)20(3)13(2)15(26-16(22)9-10-28-6)8-7-14(20)11-21(17,25-5)27-19(12)23/h9-10,13-15,18H,7-8,11H2,1-6H3/b10-9+",AKVFHSQBKRFJIZ,MDZDMXLPSA,N,Eremopetasitenin C3,AKVFHSQBKRFJIZ-MDZDMXLPSA-N
HMDB32773,378.204238692,C21H30O6,COC12CC3CCC(O)C(C)C3(C)C(OC(=O)C(\C)=C/C)C1=C(C)C(=O)O2,"InChI=1S/C21H30O6/c1-7-11(2)18(23)26-17-16-12(3)19(24)27-21(16,25-6)10-14-8-9-15(22)13(4)20(14,17)5/h7,13-15,17,22H,8-10H2,1-6H3/b11-7-",BMPRGPGLZWJNOP,XFFZJAGNSA,N,Eremopetasitenin D1,BMPRGPGLZWJNOP-XFFZJAGNSA-N
HMDB32774,478.202524132,C25H34O7S,COC12CC3CCC(OC(=O)\C=C\SC)C(C)C3(C)C(OC(=O)C(\C)=C/C)C1=C(C)C(=O)O2,"InChI=1S/C25H34O7S/c1-8-14(2)22(27)31-21-20-15(3)23(28)32-25(20,29-6)13-17-9-10-18(16(4)24(17,21)5)30-19(26)11-12-33-7/h8,11-12,16-18,21H,9-10,13H2,1-7H3/b12-11+,14-8-",WAJCGTCCWFRXDF,LVIRMKODSA,N,Eremopetasitenin D2,WAJCGTCCWFRXDF-LVIRMKODSA-N
HMDB32775,237.100107973,C12H15NO4,CN=C(O)OC1=CC=CC2=C1OC(C)(C)C2O,"InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)",RHSUJRQZTQNSLL,UHFFFAOYSA,N,3-Hydroxy-carbofuran,RHSUJRQZTQNSLL-UHFFFAOYSA-N
HMDB32776,235.084457909,C12H13NO4,CN=C(O)OC1=CC=CC2=C1OC(C)(C)C2=O,"InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)",WXNZYYXXILQTKX,UHFFFAOYSA,N,3-Oxo-carbofuran,WXNZYYXXILQTKX-UHFFFAOYSA-N
HMDB32777,518.18468504,C19H34O16,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O,"InChI=1S/C19H34O16/c1-31-16-11(26)10(25)12(27)17(15(16)30)35-19-14(29)9(24)7(22)5(34-19)3-32-18-13(28)8(23)6(21)4(2-20)33-18/h4-30H,2-3H2,1H3/t4-,5-,6+,7+,8+,9+,10-,11+,12+,13-,14-,15+,16-,17+,18+,19-/m1/s1",ATDWJHOSZLOQDJ,LMKXGGCJSA,N,Ciceritol,ATDWJHOSZLOQDJ-LMKXGGCJSA-N
HMDB32778,724.179205732,C39H32O14,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6+,17-7+",KMOHJUXDKSMQOG,KGMKFKQSSA,N,"Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside)",KMOHJUXDKSMQOG-KGMKFKQSSA-N
HMDB32779,1206.60333318,C58H94O26,CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3",KVKRFLVYJLIZFD,UHFFFAOYSA,N,Jujuboside A1,KVKRFLVYJLIZFD-UHFFFAOYSA-N
HMDB32780,1236.613897866,C59H96O27,CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C59H96O27/c1-23(2)15-25-16-57(8,74)48-26-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-56(32,7)58(26)21-59(48,86-25)77-22-58)82-52-47(85-50-43(72)38(67)34(63)24(3)78-50)45(27(62)19-75-52)83-53-46(84-51-44(73)40(69)36(65)29(18-61)80-51)41(70)37(66)30(81-53)20-76-49-42(71)39(68)35(64)28(17-60)79-49/h15,24-53,60-74H,9-14,16-22H2,1-8H3",GZXHBOYNBUVMSN,UHFFFAOYSA,N,Jujuboside C,GZXHBOYNBUVMSN-UHFFFAOYSA-N
HMDB32781,1086.561074436,C54H86O22,CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(COC(C)=O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C54H86O22/c1-23(2)16-26-17-52(9,65)44-27-10-11-32-50(7)14-13-33(49(5,6)31(50)12-15-51(32,8)53(27)21-54(44,76-26)69-22-53)72-47-43(75-46-40(64)37(61)34(58)24(3)70-46)41(29(57)19-68-47)73-48-42(74-45-39(63)35(59)28(56)18-67-45)38(62)36(60)30(71-48)20-66-25(4)55/h16,24,26-48,56-65H,10-15,17-22H2,1-9H3",JCNHTOHJIDUGID,UHFFFAOYSA,N,Acetyljujuboside B,JCNHTOHJIDUGID-UHFFFAOYSA-N
HMDB32782,149.120449485,C10H15N,CCC1=CC=CC(CC)=C1N,"InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3",FOYHNROGBXVLLX,UHFFFAOYSA,N,"2,6-Diethylaniline",FOYHNROGBXVLLX-UHFFFAOYSA-N
HMDB32783,448.318874518,C27H44O5,CC1C2C(CC3C4CC(O)C5CC(O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3",FYRLHXNMINIDCB,UHFFFAOYSA,N,Porrigenin A,FYRLHXNMINIDCB-UHFFFAOYSA-N
HMDB32784,372.230059512,C23H32O4,CCOC1=CC(=O)C(O)=C(CCCCCCC\C=C\C\C=C\CC=C)C1=O,"InChI=1S/C23H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)20(24)18-21(23(19)26)27-4-2/h3,6-7,9-10,18,25H,1,4-5,8,11-17H2,2H3/b7-6+,10-9+",TZHMUUDTNYTFMW,AVQMFFATSA,N,5-Ethoxysorgoleone 358,TZHMUUDTNYTFMW-AVQMFFATSA-N
HMDB32785,418.126382302,C21H22O9,COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(O)C(OC)=C2O1,"InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-19(27-4)14(22)13-17(26-3)20(28-5)15(23)21(29-6)18(13)30-16/h7-9,23H,1-6H3",LIHVLVGTXLTMAQ,UHFFFAOYSA,N,"7-Hydroxy-3,3',4',5,6,8-hexamethoxyflavone",LIHVLVGTXLTMAQ-UHFFFAOYSA-N
HMDB32786,934.259031772,C39H50O26,OCC1OC(OC2C(O)C(O)C(OC3=CC(O)=C4C(=O)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)=C(OC4=C3)C3=CC=C(O)C=C3)OC2CO)C(O)C(O)C1O,"InChI=1S/C39H50O26/c40-7-16-21(46)25(50)29(54)37(59-16)63-33-19(10-43)62-36(31(56)28(33)53)57-13-5-14(45)20-15(6-13)58-32(11-1-3-12(44)4-2-11)34(24(20)49)64-39-35(27(52)23(48)18(9-42)61-39)65-38-30(55)26(51)22(47)17(8-41)60-38/h1-6,16-19,21-23,25-31,33,35-48,50-56H,7-10H2",ARCGCLWCGQKSSN,UHFFFAOYSA,N,Kaempferol 7-cellobioside 3-sophoroside,ARCGCLWCGQKSSN-UHFFFAOYSA-N
HMDB32787,1096.29072583,C48H56O29,OCC1OC(OC2C(CO)OC(OC3=CC(O)=C4C(OC(C5=CC=C(O)C=C5)=C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC(=O)\C=C\C5=CC(O)=C(O)C=C5)C4=O)=C3)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C48H56O29/c49-12-24-30(58)34(62)38(66)46(70-24)75-41-27(15-52)73-45(39(67)37(41)65)68-19-10-22(56)29-23(11-19)69-40(17-3-5-18(53)6-4-17)42(33(29)61)76-48-44(36(64)32(60)26(14-51)72-48)77-47-43(35(63)31(59)25(13-50)71-47)74-28(57)8-2-16-1-7-20(54)21(55)9-16/h1-11,24-27,30-32,34-39,41,43-56,58-60,62-67H,12-15H2/b8-2+",CZBTUCJIUINASC,KRXBUXKQSA,N,Kaempferol 3-(2'''-caffeoylsophoroside) 7-cellobioside,CZBTUCJIUINASC-KRXBUXKQSA-N
HMDB32788,1110.306375894,C49H58O29,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=C1,"InChI=1S/C49H58O29/c1-68-23-10-17(2-8-21(23)55)3-9-29(57)75-44-36(63)32(59)26(14-51)72-48(44)78-45-37(64)33(60)27(15-52)73-49(45)77-43-34(61)30-22(56)11-20(12-24(30)70-41(43)18-4-6-19(54)7-5-18)69-46-40(67)38(65)42(28(16-53)74-46)76-47-39(66)35(62)31(58)25(13-50)71-47/h2-12,25-28,31-33,35-40,42,44-56,58-60,62-67H,13-16H2,1H3/b9-3+",KFEVJAZSURUKLX,YCRREMRBSA,N,Kaempferol 3-(2'''-feruloylsophoroside) 7-cellobioside,KFEVJAZSURUKLX-YCRREMRBSA-N
HMDB32789,1140.31694058,C50H60O30,COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C50H60O30/c1-69-23-9-17(10-24(70-2)31(23)58)3-8-29(57)77-45-37(64)33(60)26(14-52)74-49(45)80-46-38(65)34(61)27(15-53)75-50(46)79-44-35(62)30-21(56)11-20(12-22(30)72-42(44)18-4-6-19(55)7-5-18)71-47-41(68)39(66)43(28(16-54)76-47)78-48-40(67)36(63)32(59)25(13-51)73-48/h3-12,25-28,32-34,36-41,43,45-56,58-61,63-68H,13-16H2,1-2H3/b8-3+",XDAUDAFKKQNYME,FPYGCLRLSA,N,Kaempferol 3-(2'''-sinapoylsophoroside) 7-cellobioside,XDAUDAFKKQNYME-FPYGCLRLSA-N
HMDB32790,844.897532956,C58H116O2,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H116O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58(59)60-57-55-53-51-49-47-45-43-41-39-37-35-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-57H2,1-2H3",QYVJNQWOLBGEOX,UHFFFAOYSA,N,Octacosyl triacontanoate,QYVJNQWOLBGEOX-UHFFFAOYSA-N
HMDB32791,281.235479241,C17H31NO2,COC(=O)CCCCCCCCCCCCCCC#N,"InChI=1S/C17H31NO2/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h2-15H2,1H3",NWDLYWNGKGFCQE,UHFFFAOYSA,N,Methyl 15-cyanopentadecanoate,NWDLYWNGKGFCQE-UHFFFAOYSA-N
HMDB32792,212.177630012,C13H24O2,CCCCC\C=C\C(C)CCOC(C)=O,"InChI=1S/C13H24O2/c1-4-5-6-7-8-9-12(2)10-11-15-13(3)14/h8-9,12H,4-7,10-11H2,1-3H3/b9-8+",NSCSPGLXFSPKCQ,CMDGGOBGSA,N,(±)-(E)-3-Methyl-4-decen-1-yl acetate,NSCSPGLXFSPKCQ-CMDGGOBGSA-N
HMDB32793,664.15807636,C37H28O12,OC1CC2=C(OC1C1=CC=C(O)C=C1)C1=C(OC3(OC4=C(C1C3OC(=O)C1=CC=C(O)C=C1)C(O)=CC(O)=C4)C1=CC=C(O)C=C1)C=C2O,"InChI=1S/C37H28O12/c38-20-7-1-17(2-8-20)33-27(44)15-24-25(42)16-29-31(34(24)46-33)32-30-26(43)13-23(41)14-28(30)48-37(49-29,19-5-11-22(40)12-6-19)35(32)47-36(45)18-3-9-21(39)10-4-18/h1-14,16,27,32-33,35,38-44H,15H2",DQRKXIHYAURKFL,UHFFFAOYSA,N,"ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid)",DQRKXIHYAURKFL-UHFFFAOYSA-N
HMDB32794,685.512882875,C38H71NO9,CCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC,"InChI=1S/C38H71NO9/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(41)30(29-47-38-36(45)35(44)34(43)33(28-40)48-38)39-37(46)32(42)27-25-23-21-18-14-12-10-8-6-4-2/h17,19,24,26,30-36,38,40-45H,3-16,18,20-23,25,27-29H2,1-2H3,(H,39,46)/b19-17-,26-24-",DSCPFMRUDHIMNW,RBIAQBDQSA,N,AS 1-1,DSCPFMRUDHIMNW-RBIAQBDQSA-N
HMDB32795,699.528532939,C39H73NO9,CCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC,"InChI=1S/C39H73NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-20-17-14-12-10-8-6-4-2/h18-19,25,27,31-37,39,41-46H,3-17,20-24,26,28-30H2,1-2H3,(H,40,47)/b19-18-,27-25-",NHVGKAGJOWJYCD,VFRXEOFNSA,N,AS 1-2,NHVGKAGJOWJYCD-VFRXEOFNSA-N
HMDB32796,254.115423686,C13H18O5,COC(=O)C1=CC(CC(O)C(C)(C)O)=C(O)C=C1,"InChI=1S/C13H18O5/c1-13(2,17)11(15)7-9-6-8(12(16)18-3)4-5-10(9)14/h4-6,11,14-15,17H,7H2,1-3H3",ABFHVQPVDSMGNR,UHFFFAOYSA,N,"Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate",ABFHVQPVDSMGNR-UHFFFAOYSA-N
HMDB32797,210.125594442,C12H18O3,CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",ZNJFBWYDHIGLCU,HWKXXFMVSA,N,Jasmonic acid,ZNJFBWYDHIGLCU-HWKXXFMVSA-N
HMDB32798,436.267232878,C21H40O9,CCCCCC(O)CCOC1OC(CO)C(C)C(O)C1OC1OCC(C)(CO)C1O,"InChI=1S/C21H40O9/c1-4-5-6-7-14(24)8-9-27-19-17(16(25)13(2)15(10-22)29-19)30-20-18(26)21(3,11-23)12-28-20/h13-20,22-26H,4-12H2,1-3H3",WKMBZTIVAJAWBA,UHFFFAOYSA,N,"(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol",WKMBZTIVAJAWBA-UHFFFAOYSA-N
HMDB32799,470.23632668,C20H38O12,CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C20H38O12/c1-2-3-4-5-10(22)6-7-29-19-17(27)16(26)14(24)12(32-19)9-30-20-18(28)15(25)13(23)11(8-21)31-20/h10-28H,2-9H2,1H3",ODOJEOFQPWTDSS,UHFFFAOYSA,N,"(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol",ODOJEOFQPWTDSS-UHFFFAOYSA-N
HMDB32800,280.154883197,C15H22NO4,COC1=C(O)C=CC(\C=C\C(=O)OCC[N+](C)(C)C)=C1,"InChI=1S/C15H21NO4/c1-16(2,3)9-10-20-15(18)8-6-12-5-7-13(17)14(11-12)19-4/h5-8,11H,9-10H2,1-4H3/p+1",XHSNXOZZHHJDDX,UHFFFAOYSA,O,Feruloylcholine,XHSNXOZZHHJDDX-UHFFFAOYSA-O
HMDB32801,311.082743349,C14H17NO5S,CC1OC(OC2=CC=C(CN=C=S)C=C2)C(O)C(O)C1O,"InChI=1S/C14H17NO5S/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-15-7-21/h2-5,8,11-14,16-18H,6H2,1H3",QAZIHHJTZPNRCM,UHFFFAOYSA,N,4-Hydroxybenzyl isothiocyanate rhamnoside,QAZIHHJTZPNRCM-UHFFFAOYSA-N
HMDB32802,353.093308035,C16H19NO6S,CC1OC(OC2=CC=C(CN=C=S)C=C2)C(O)C(O)C1OC(C)=O,"InChI=1S/C16H19NO6S/c1-9-15(22-10(2)18)13(19)14(20)16(21-9)23-12-5-3-11(4-6-12)7-17-8-24/h3-6,9,13-16,19-20H,7H2,1-2H3",WVUZLAMBBZISKM,UHFFFAOYSA,N,4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside,WVUZLAMBBZISKM-UHFFFAOYSA-N
HMDB32803,441.163496089,C20H27NO10,CC1OC(OCC2OC(OC(C#N)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C20H27NO10/c1-9-13(22)15(24)17(26)19(29-9)28-8-12-14(23)16(25)18(27)20(31-12)30-11(7-21)10-5-3-2-4-6-10/h2-6,9,11-20,22-27H,8H2,1H3",QSPJUYWAUZTHLP,UHFFFAOYSA,N,Mandelonitrile rutinoside,QSPJUYWAUZTHLP-UHFFFAOYSA-N
HMDB32804,299.115758037,C17H17NO4,OC(CNC(=O)\C=C\C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C17H17NO4/c19-14-6-1-12(2-7-14)3-10-17(22)18-11-16(21)13-4-8-15(20)9-5-13/h1-10,16,19-21H,11H2,(H,18,22)/b10-3+",VATOSFCFMOPAHX,XCVCLJGOSA,N,N-trans-p-Coumaroyloctopamine,VATOSFCFMOPAHX-XCVCLJGOSA-N
HMDB32805,329.126322723,C18H19NO5,COC1=CC(\C=C\C(=O)NCC(O)C2=CC=C(O)C=C2)=CC=C1O,"InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+",VJSCHQMOTSXAKB,YCRREMRBSA,N,N-trans-Feruloyloctopamine,VJSCHQMOTSXAKB-YCRREMRBSA-N
HMDB32806,314.115423686,C18H18O5,COC1=C(O)C=CC(\C=C\C(=O)OCCC2=CC=C(O)C=C2)=C1,"InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+",JMSFLLZUCIXALN,WEVVVXLNSA,N,p-Hydroxyphenethyl trans-ferulate,JMSFLLZUCIXALN-WEVVVXLNSA-N
HMDB32807,279.110672659,C14H17NO5,CC1OC(OC2=CC=C(CC#N)C=C2)C(O)C(O)C1O,"InChI=1S/C14H17NO5/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-7-15/h2-5,8,11-14,16-18H,6H2,1H3",OBJREHLZEIEGDU,UHFFFAOYSA,N,Niazirin,OBJREHLZEIEGDU-UHFFFAOYSA-N
HMDB32808,321.121237345,C16H19NO6,CC1OC(OC2=CC=C(CC#N)C=C2)C(O)C(O)C1OC(C)=O,"InChI=1S/C16H19NO6/c1-9-15(22-10(2)18)13(19)14(20)16(21-9)23-12-5-3-11(4-6-12)7-8-17/h3-6,9,13-16,19-20H,7H2,1-2H3",QSGQMXJNFWYWMM,UHFFFAOYSA,N,Niazirinin,QSGQMXJNFWYWMM-UHFFFAOYSA-N
HMDB32809,405.142366717,C20H23NO8,CC1OC(OC2=CC=C(CC#N)C=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C20H23NO8/c1-11-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(25-11)29-16-7-5-15(6-8-16)9-10-21/h5-8,11,17-20H,9H2,1-4H3",CRZLVGUYFBECND,UHFFFAOYSA,N,4-Hydroxyphenylacetonitrile triacetylrhamnoside,CRZLVGUYFBECND-UHFFFAOYSA-N
HMDB32811,812.65300517,C51H88O7,CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CC\C(=C/C)C(C)C)C(O)C(O)C1O,"InChI=1S/C51H88O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h9,25,35-36,39-44,46-49,53-55H,8,10-24,26-34H2,1-7H3/b37-9+",MDOIIJYPVORHPW,ILPJYELKSA,N,Isofucosterol 3-O-[6-O-Hexadecanoyl-b-D-glucopyranoside],MDOIIJYPVORHPW-ILPJYELKSA-N
HMDB32812,840.684305298,C53H92O7,CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CC\C(=C/C)C(C)C)C(O)C(O)C1O,"InChI=1S/C53H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h9,27,37-38,41-46,48-51,55-57H,8,10-26,28-36H2,1-7H3/b39-9+",HPKBXXRAYSTIAI,DNSYQMBRSA,N,Isofucosterol 3-O-[6-O-Octadecanoyl-b-D-glucopyranoside],HPKBXXRAYSTIAI-DNSYQMBRSA-N
HMDB32813,838.668655234,C53H90O7,CCCCCCCC\C=C\CCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CC\C(=C/C)C(C)C)C(O)C(O)C1O,"InChI=1S/C53H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h9,16-17,27,37-38,41-46,48-51,55-57H,8,10-15,18-26,28-36H2,1-7H3/b17-16+,39-9+",YEAUSGDLYXRRSE,LMNLQXKHSA,N,Isofucosterol 3-O-[6-O-(9-Octadecenoyl)-b-D-glucopyranoside],YEAUSGDLYXRRSE-LMNLQXKHSA-N
HMDB32814,1014.57633057,C52H86O19,C\C=C\C(=O)OCC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(CCC43C)C(C)(CCC=C(C)C)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)C(O)C1O,"InChI=1S/C52H86O19/c1-10-12-34(56)65-24-30-38(59)40(61)42(63)45(68-30)70-44-41(62)37(58)29(23-54)67-47(44)69-33-16-18-49(6)31(48(33,4)5)15-20-50(7)32(49)21-27(55)35-26(14-19-51(35,50)8)52(9,17-11-13-25(2)3)71-46-43(64)39(60)36(57)28(22-53)66-46/h10,12-13,26-33,35-47,53-55,57-64H,11,14-24H2,1-9H3/b12-10+",BTRPYCUFCMLYGV,ZRDIBKRKSA,N,Quinquenoside I,BTRPYCUFCMLYGV-ZRDIBKRKSA-N
HMDB32815,1232.691754256,C62H104O24,CCCCC\C=C\C(=O)OCC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(CCC43C)C(C)(CCC=C(C)C)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2(C)C)C(O)C(O)C1O,"InChI=1S/C62H104O24/c1-10-11-12-13-14-17-40(66)78-28-35-44(69)47(72)51(76)55(82-35)85-53-49(74)43(68)34(27-64)81-57(53)84-39-20-22-59(6)37(58(39,4)5)19-24-60(7)38(59)25-32(65)41-31(18-23-61(41,60)8)62(9,21-15-16-30(2)3)86-56-52(77)48(73)45(70)36(83-56)29-79-54-50(75)46(71)42(67)33(26-63)80-54/h14,16-17,31-39,41-57,63-65,67-77H,10-13,15,18-29H2,1-9H3/b17-14+",KRCPFRPUBYFDPP,SAPNQHFASA,N,Quinquenoside II,KRCPFRPUBYFDPP-SAPNQHFASA-N
HMDB32816,988.560680506,C50H84O19,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC(C)=O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C50H84O19/c1-23(2)11-10-15-50(9,69-44-41(62)38(59)35(56)28(21-52)65-44)25-12-17-49(8)33(25)26(54)19-31-47(6)16-14-32(46(4,5)30(47)13-18-48(31,49)7)67-45-42(39(60)36(57)29(66-45)22-63-24(3)53)68-43-40(61)37(58)34(55)27(20-51)64-43/h11,25-45,51-52,54-62H,10,12-22H2,1-9H3",PXHNTRFQGHWVGX,UHFFFAOYSA,N,Quinquenoside III,PXHNTRFQGHWVGX-UHFFFAOYSA-N
HMDB32817,1270.65576268,C60H102O28,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C60H102O28/c1-24(2)10-9-14-60(8,88-54-47(77)42(72)39(69)31(84-54)23-79-51-48(78)44(74)49(30(22-64)83-51)86-52-45(75)40(70)36(66)27(19-61)80-52)25-11-16-59(7)35(25)26(65)18-33-57(5)15-13-34(56(3,4)32(57)12-17-58(33,59)6)85-55-50(43(73)38(68)29(21-63)82-55)87-53-46(76)41(71)37(67)28(20-62)81-53/h10,25-55,61-78H,9,11-23H2,1-8H3",VDBDEBBSMOPOQM,UHFFFAOYSA,N,Quinquenoside V,VDBDEBBSMOPOQM-UHFFFAOYSA-N
HMDB32818,1282.619377174,C60H98O29,CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OCC(O)C(O)C1OC1OCC(OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C60H98O29/c1-22(18-77-52-47(74)44(71)41(68)34(17-61)84-52)9-14-60(76)23(2)36-33(89-60)16-30-28-8-7-26-15-27(10-12-58(26,5)29(28)11-13-59(30,36)6)83-55-49(40(67)32(63)20-79-55)88-56-50(86-53-46(73)39(66)31(62)19-78-53)42(69)35(21-80-56)85-57-51(45(72)38(65)25(4)82-57)87-54-48(75)43(70)37(64)24(3)81-54/h7,22-25,27-57,61-76H,8-21H2,1-6H3",HPAZMTUJBDFPDN,UHFFFAOYSA,N,Balanitesin,HPAZMTUJBDFPDN-UHFFFAOYSA-N
HMDB32819,346.178023942,C20H26O5,CC12CCCC3(COC1=O)C1CC(O)C4CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C20H26O5/c1-10-7-20-8-11(10)12(21)6-13(20)19-5-3-4-18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23)",ZCRLGANQNRMURE,UHFFFAOYSA,N,Gibberellin A113,ZCRLGANQNRMURE-UHFFFAOYSA-N
HMDB32820,362.172938564,C20H26O6,CC1(CCCC2(C=O)C3CC(O)C4CC3(CC4=C)C(C12)C(O)=O)C(O)=O,"InChI=1S/C20H26O6/c1-10-7-20-8-11(10)12(22)6-13(20)19(9-21)5-3-4-18(2,17(25)26)15(19)14(20)16(23)24/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)",ABTNJGAZZKYLLD,UHFFFAOYSA,N,Gibberellin Ga115,ABTNJGAZZKYLLD-UHFFFAOYSA-N
HMDB32821,682.356441814,C35H54O13,CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2C(O)CC2(C)C(CCC32O)C2=CC(=O)OC2)C1,"InChI=1S/C35H54O13/c1-16-31(48-32-30(42)29(41)28(40)24(14-36)47-32)22(37)12-26(45-16)46-19-6-8-33(2)18(11-19)4-5-21-27(33)23(38)13-34(3)20(7-9-35(21,34)43)17-10-25(39)44-15-17/h10,16,18-24,26-32,36-38,40-43H,4-9,11-15H2,1-3H3",HNHIWJNROSKAOI,UHFFFAOYSA,N,Corchorusoside B,HNHIWJNROSKAOI-UHFFFAOYSA-N
HMDB32822,245.983423236,C8H6O7S,OC(=O)C1=CC(=CC(=C1)C(O)=O)S(O)(=O)=O,"InChI=1S/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)",CARJPEPCULYFFP,UHFFFAOYSA,N,"5-Sulfo-1,3-benzenedicarboxylic acid",CARJPEPCULYFFP-UHFFFAOYSA-N
HMDB32823,698.351356436,C35H54O14,CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C3C(O)CC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1,"InChI=1S/C35H54O14/c1-16-30(49-31-29(42)28(41)27(40)23(14-36)48-31)21(37)11-25(46-16)47-18-4-7-32(2)26-20(5-8-34(32,43)12-18)35(44)9-6-19(17-10-24(39)45-15-17)33(35,3)13-22(26)38/h10,16,18-23,25-31,36-38,40-44H,4-9,11-15H2,1-3H3",AYNLZHBTPQZZSO,UHFFFAOYSA,N,Corchorusoside A,AYNLZHBTPQZZSO-UHFFFAOYSA-N
HMDB32824,505.952445552,C16H12Cl2N4O7S2,CC1=NN(C(O)=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)C1=CC(Cl)=C(C=C1Cl)S(O)(=O)=O,"InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,23H,1H3,(H,24,25,26)(H,27,28,29)/b20-19+",SWTAMHBAAIVEKW,FMQUCBEESA,N,C.I. Acid Yellow 17,SWTAMHBAAIVEKW-FMQUCBEESA-N
HMDB32825,182.025762518,C6H14S3,CCCSSSCCC,"InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3",GAZXPZNJTZIGBO,UHFFFAOYSA,N,Dipropyl trisulfide,GAZXPZNJTZIGBO-UHFFFAOYSA-N
HMDB32827,160.109944378,C8H16O3,CCCCCCCC(=O)OO,"InChI=1S/C8H16O3/c1-2-3-4-5-6-7-8(9)11-10/h10H,2-7H2,1H3",CVXHBROPWMVEQO,UHFFFAOYSA,N,Peroxyoctanoic acid,CVXHBROPWMVEQO-UHFFFAOYSA-N
HMDB32828,860.404179866,C41H64O19,CC1OC(CC(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1,"InChI=1S/C41H64O19/c1-18-34(59-37-33(51)31(49)35(26(15-43)58-37)60-36-32(50)30(48)29(47)25(14-42)57-36)24(45)12-28(55-18)56-20-3-8-39(17-44)22-4-7-38(2)21(19-11-27(46)54-16-19)6-10-41(38,53)23(22)5-9-40(39,52)13-20/h11,18,20-26,28-37,42-45,47-53H,3-10,12-17H2,1-2H3",FOSGZTYSSLMLOR,UHFFFAOYSA,N,Corchorusoside E,FOSGZTYSSLMLOR-UHFFFAOYSA-N
HMDB32829,1122.582203808,C54H90O24,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3=CC(O)C21C,"InChI=1S/C54H90O24/c1-22(2)10-9-13-53(7,78-48-44(70)40(66)37(63)28(75-48)21-71-46-42(68)38(64)34(60)25(18-55)72-46)23-11-15-52(6)33(23)24(58)16-30-51(5)14-12-32(50(3,4)29(51)17-31(59)54(30,52)8)76-49-45(41(67)36(62)27(20-57)74-49)77-47-43(69)39(65)35(61)26(19-56)73-47/h10,17,23-28,30-49,55-70H,9,11-16,18-21H2,1-8H3",SKOMPTIDEDWVJD,UHFFFAOYSA,N,Quinquenoside IV,SKOMPTIDEDWVJD-UHFFFAOYSA-N
HMDB32830,652.23672061,C31H40O15,COC1=C(O)C=CC(CC2C(CC3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3)COC2=O)=C1,"InChI=1S/C31H40O15/c1-40-21-9-16(3-5-19(21)34)8-18-17(12-42-28(18)38)7-15-4-6-20(22(10-15)41-2)44-29-26(25(36)24(35)23(11-32)45-29)46-30-27(37)31(39,13-33)14-43-30/h3-6,9-10,17-18,23-27,29-30,32-37,39H,7-8,11-14H2,1-2H3",DGVRVIYWXWHLAT,UHFFFAOYSA,N,(-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside],DGVRVIYWXWHLAT-UHFFFAOYSA-N
HMDB32831,588.402604146,C35H56O7,C\C=C(\C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO,"InChI=1S/C35H56O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,22-28,36-40H,11-19H2,1-8H3/b20-9-",BKBHDJLHSWOMFP,UKWGHVSLSA,N,22-Angeloyltheasapogenol A,BKBHDJLHSWOMFP-UKWGHVSLSA-N
HMDB32832,586.386954082,C35H54O7,C\C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO,"InChI=1S/C35H54O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,18,22-28,37-40H,11-17,19H2,1-8H3/b20-9+",IQYIDEWXVLGTDZ,AWQFTUOYSA,N,"(3b,16a,21b,22a)-12-Oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al",IQYIDEWXVLGTDZ-AWQFTUOYSA-N
HMDB32833,920.279767214,C39H52O25,COC1=CC(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C2C(O)=C3C(=O)C=C(C)OC3=CC2=C1,"InChI=1S/C39H52O25/c1-11-3-14(42)22-15(58-11)5-12-4-13(55-2)6-16(21(12)27(22)47)59-38-32(52)29(49)24(44)19(62-38)10-57-37-34(54)35(26(46)18(8-41)61-37)64-39-33(53)30(50)25(45)20(63-39)9-56-36-31(51)28(48)23(43)17(7-40)60-36/h3-6,17-20,23-26,28-41,43-54H,7-10H2,1-2H3",HFJDWELARBQGBQ,UHFFFAOYSA,N,Cassiaside B2,HFJDWELARBQGBQ-UHFFFAOYSA-N
HMDB32834,530.215197308,C28H34O10,CC(=O)OC1C(O)C2C(C)(C)OC3CC(=O)OCC23C2CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1,"InChI=1S/C28H34O10/c1-13(29)35-21-18(31)19-24(2,3)37-16-10-17(30)34-12-27(16,19)15-6-8-25(4)20(14-7-9-33-11-14)36-23(32)22-28(25,38-22)26(15,21)5/h7,9,11,15-16,18-22,31H,6,8,10,12H2,1-5H3",LFAMVZIOUNWBKU,UHFFFAOYSA,N,7-Acetoxy-6-hydroxylimonin,LFAMVZIOUNWBKU-UHFFFAOYSA-N
HMDB32835,572.407689524,C35H56O6,C\C=C(\C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO,"InChI=1S/C35H56O6/c1-10-20(2)29(40)41-28-27(39)30(3,4)17-22-21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)18-26(38)35(22,28)19-36/h10-11,22-28,36-39H,12-19H2,1-9H3/b20-10-",UBLRZFCEDOUFPK,JMIUGGIZSA,N,22-Angeloylbarringtogenol C,UBLRZFCEDOUFPK-JMIUGGIZSA-N
HMDB32836,666.397912698,C36H58O11,CC1(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O,"InChI=1S/C36H58O11/c1-31(2)13-19-18-7-8-23-32(3)14-20(39)28(47-29-27(43)26(42)25(41)21(16-37)46-29)33(4,17-38)22(32)9-10-35(23,6)34(18,5)11-12-36(19,30(44)45)15-24(31)40/h7,19-29,37-43H,8-17H2,1-6H3,(H,44,45)",XARTTWLFBGJXMU,UHFFFAOYSA,N,Lucyoside R,XARTTWLFBGJXMU-UHFFFAOYSA-N
HMDB32837,468.323959896,C30H44O4,CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+",ZTKZZRIVAYGFSF,VXLYETTFSA,N,Ganoderic acid DM,ZTKZZRIVAYGFSF-VXLYETTFSA-N
HMDB32838,262.084123558,C14H14O5,CC(O)(CO)C1CC2=C(O1)C=C1OC(=O)C=CC1=C2,"InChI=1S/C14H14O5/c1-14(17,7-15)12-5-9-4-8-2-3-13(16)19-10(8)6-11(9)18-12/h2-4,6,12,15,17H,5,7H2,1H3",JWWIYTKCAJCERS,UHFFFAOYSA,N,Dorsteniol,JWWIYTKCAJCERS-UHFFFAOYSA-N
HMDB32839,480.257062122,C22H40O11,CC(CCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)CCC=C(C)C,"InChI=1S/C22H40O11/c1-11(2)5-4-6-12(3)7-8-30-22-20(18(28)16(26)14(10-24)32-22)33-21-19(29)17(27)15(25)13(9-23)31-21/h5,12-29H,4,6-10H2,1-3H3",UPVBTYUCCOHEPJ,UHFFFAOYSA,N,Citronellyl beta-sophoroside,UPVBTYUCCOHEPJ-UHFFFAOYSA-N
HMDB32840,574.36582471,C37H50O5,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C6=CC=CC=C6)C(C)(C)C5C(=O)CC34C)C2C1C)C(O)=O,"InChI=1S/C37H50O5/c1-22-15-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)13-14-27-34(5)17-16-28(42-31(39)24-11-9-8-10-12-24)33(3,4)30(34)26(38)21-36(27,35)7/h8-13,22-23,27-30H,14-21H2,1-7H3,(H,40,41)",WTRSURIFLHBSLZ,UHFFFAOYSA,N,3-Benzoyloxy-6-oxo-12-ursen-28-oic acid,WTRSURIFLHBSLZ-UHFFFAOYSA-N
HMDB32841,370.199153314,C19H30O7,CC(OC1OC(CO)C(O)C(O)C1O)C#CC1=C(C)CC(O)CC1(C)C,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3",NVFMDEVKKYQMLD,UHFFFAOYSA,N,"5-Megastigmen-7-yne-3,9-diol 9-glucoside",NVFMDEVKKYQMLD-UHFFFAOYSA-N
HMDB32842,370.199153314,C19H30O7,CC(O)C#CC1=C(C)CC(CC1(C)C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3",XIRQNNSWPUAAHR,UHFFFAOYSA,N,"5-Megastigmen-7-yne-3,9-diol 3-glucoside",XIRQNNSWPUAAHR-UHFFFAOYSA-N
HMDB32843,715.559833067,C40H77NO9,CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,32-38,40,42-47H,3-25,27,29-31H2,1-2H3,(H,41,48)/b28-26+",FMRHRMJAYYLKAI,BYCLXTJYSA,N,AS 1-5,FMRHRMJAYYLKAI-BYCLXTJYSA-N
HMDB32844,396.178417872,C20H28O8,C\C=C(\C)C(=O)OC1CC2(C)OC(O)(CC2O)C(CO)CC2OC(=O)C(=C)C12,"InChI=1S/C20H28O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h5,12-16,21-22,25H,3,6-9H2,1-2,4H3/b10-5-",SNUZCOSRHAIVKC,YHYXMXQVSA,N,"4,5-Dihydroniveusin A",SNUZCOSRHAIVKC-YHYXMXQVSA-N
HMDB32845,283.120843415,C17H17NO3,CN(C(=O)CCC1=CC=CC=C1)C1=CC=CC=C1C(O)=O,"InChI=1S/C17H17NO3/c1-18(15-10-6-5-9-14(15)17(20)21)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)",APLMLPAZZRMWPT,UHFFFAOYSA,N,2-[Methyl(3-phenylpropanoyl)amino]benzoic acid,APLMLPAZZRMWPT-UHFFFAOYSA-N
HMDB32846,199.00362077,C8H6ClNO3,COC1=C(Cl)C=C2NC(=O)OC2=C1,"InChI=1S/C8H6ClNO3/c1-12-6-3-7-5(2-4(6)9)10-8(11)13-7/h2-3H,1H3,(H,10,11)",QQQYQWNSMUHSCK,UHFFFAOYSA,N,5-Chloro-6-methoxy-2(3H)-benzoxazolone,QQQYQWNSMUHSCK-UHFFFAOYSA-N
HMDB32847,272.104859,C16H16O4,COC1=C(O)C=CC(\C=C/C2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3-",KQPXJFAYGYIGRU,ARJAWSKDSA,N,"1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene",KQPXJFAYGYIGRU-ARJAWSKDSA-N
HMDB32848,306.089208936,C19H14O4,OC1C(O)C2=C(C=CC3=C2C(=CC=C3)C1=O)C1=CC=C(O)C=C1,"InChI=1S/C19H14O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,18-20,22-23H",OVOZGVQCKWVCQO,UHFFFAOYSA,N,"2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one",OVOZGVQCKWVCQO-UHFFFAOYSA-N
HMDB32849,354.095082174,C16H18O9,OC1CC(O)(CC(OC(=O)\C=C/C2=CC(O)=C(O)C=C2)C1O)C(O)=O,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2-",CWVRJTMFETXNAD,RQOWECAXSA,N,trans-Chlorogenic acid,CWVRJTMFETXNAD-RQOWECAXSA-N
HMDB32850,514.474981228,C35H62O2,CCCCCCCCCCCC\C=C/CC\C=C/CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32-33(2)37-35(34)36/h14-15,18-19,32-33H,3-13,16-17,20-31H2,1-2H3/b15-14-,19-18-",ZZXWNKPYSIVFNM,XUWLZAGCSA,N,Muricadienin,ZZXWNKPYSIVFNM-XUWLZAGCSA-N
HMDB32851,428.401816286,C30H52O,CC(CCC=C(C)C)C1CCC2(C)C3CCC(C(CCCO)C3(C)CCC12C)=C(C)C,"InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3",PDGUDHUKTNJAMM,UHFFFAOYSA,N,Isohelianol,PDGUDHUKTNJAMM-UHFFFAOYSA-N
HMDB32852,196.08479226,C9H12N2O3,CCNC1=CC(O)=C(O)C=C1C(N)=O,"InChI=1S/C9H12N2O3/c1-2-11-6-4-8(13)7(12)3-5(6)9(10)14/h3-4,11-13H,2H2,1H3,(H2,10,14)",VAWDXOCBSZJIEL,UHFFFAOYSA,N,"2-(Ethylamino)-4,5-dihydroxybenzamide",VAWDXOCBSZJIEL-UHFFFAOYSA-N
HMDB32853,422.15768243,C21H26O9,COC1=CC2=C(OC(=O)C(=C2)C(C)(C)C=C)C=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H26O9/c1-5-21(2,3)11-6-10-7-13(27-4)14(8-12(10)28-19(11)26)29-20-18(25)17(24)16(23)15(9-22)30-20/h5-8,15-18,20,22-25H,1,9H2,2-4H3",USJIZVPRNYRDEY,UHFFFAOYSA,N,"3-(1,1-Dimethylallyl)scopoletin 7-glucoside",USJIZVPRNYRDEY-UHFFFAOYSA-N
HMDB32854,191.131014171,C12H17NO,CCC1=CC=CC(CC)=C1NC(C)=O,"InChI=1S/C12H17NO/c1-4-10-7-6-8-11(5-2)12(10)13-9(3)14/h6-8H,4-5H2,1-3H3,(H,13,14)",SNPZDXACCGIJNK,UHFFFAOYSA,N,"N-Acetyl-2,6-diethylaniline",SNPZDXACCGIJNK-UHFFFAOYSA-N
HMDB32855,225.092041846,C12H16ClNO,CCC1=CC=CC(CC)=C1NC(=O)CCl,"InChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)",LBJVHMAYBNQJBK,UHFFFAOYSA,N,"N-Chloroacetyl-2,6-diethylaniline",LBJVHMAYBNQJBK-UHFFFAOYSA-N
HMDB32856,317.92850903,C12H6Cl4N2,ClC1=C(Cl)C=C(C=C1)\N=N\C1=CC(Cl)=C(Cl)C=C1,InChI=1S/C12H6Cl4N2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H/b18-17+,SOBGIMQKWDUEPY,ISLYRVAYSA,N,"3,3',4,4'-Tetrachloroazobenzene",SOBGIMQKWDUEPY-ISLYRVAYSA-N
HMDB32857,260.125988372,C12H20O6,CCC(=O)OCC(COC(=O)CC)OC(=O)CC,"InChI=1S/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3",YZWRNSARCRTXDS,UHFFFAOYSA,N,Glycerol tripropanoate,YZWRNSARCRTXDS-UHFFFAOYSA-N
HMDB32858,867.294963769,C43H49NO18,CC1C(C)C(=O)OC2C(OC(C)=O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(OC(=O)C4=CC=CC=C4)C4C(OC(C)=O)C3(OC4(C)COC(=O)C3=C1N=CC=C3)C2(C)O,"InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(56-23(4)46)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(60-38(51)27-14-11-10-12-15-27)29-33(57-24(5)47)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3",KEGLSEMSUHHFTM,UHFFFAOYSA,N,Aquifoliunine EI,KEGLSEMSUHHFTM-UHFFFAOYSA-N
HMDB32859,721.258184333,C34H43NO16,CC1C(C)C(=O)OC2C(O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(O)C4C(OC(C)=O)C3(OC4(C)COC(=O)C3=C1N=CC=C3)C2(C)O,"InChI=1S/C34H43NO16/c1-14-15(2)29(42)50-26-24(41)28(49-19(6)39)33(13-45-16(3)36)27(48-18(5)38)23(40)21-25(47-17(4)37)34(33,32(26,8)44)51-31(21,7)12-46-30(43)20-10-9-11-35-22(14)20/h9-11,14-15,21,23-28,40-41,44H,12-13H2,1-8H3",SHDBRMQJPSDFRT,UHFFFAOYSA,N,Aquifoliunine EII,SHDBRMQJPSDFRT-UHFFFAOYSA-N
HMDB32860,142.07825032,C11H10,CC1=CC=CC2=CC=CC=C12,"InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3",QPUYECUOLPXSFR,UHFFFAOYSA,N,1-Methylnaphthalene,QPUYECUOLPXSFR-UHFFFAOYSA-N
HMDB32861,158.073164942,C11H10O,COC1=CC2=C(C=CC=C2)C=C1,"InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3",LUZDYPLAQQGJEA,UHFFFAOYSA,N,2-Methoxynaphthalene,LUZDYPLAQQGJEA-UHFFFAOYSA-N
HMDB32862,163.084457909,C6H13NO4,CCOCC(O)C(N)C(O)=O,"InChI=1S/C6H13NO4/c1-2-11-3-4(8)5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)",HGJWTABGNGOSDZ,UHFFFAOYSA,N,2-Amino-4-ethoxy-3-hydroxybutanoic acid,HGJWTABGNGOSDZ-UHFFFAOYSA-N
HMDB32863,428.329045274,C28H44O3,CC(C)C(C)\C=C\C(C)C1CCC2=C3C(O)C4OC44CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+",MEIJIKXWOMTKCH,BQYQJAHWSA,N,"(3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol",MEIJIKXWOMTKCH-BQYQJAHWSA-N
HMDB32864,341.147452095,C16H23NO7,CCOC(=O)NCC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1,"InChI=1S/C16H23NO7/c1-3-22-16(21)17-8-10-4-6-11(7-5-10)24-15-14(20)13(19)12(18)9(2)23-15/h4-7,9,12-15,18-20H,3,8H2,1-2H3,(H,17,21)",UNNZZQOFLFJJJZ,UHFFFAOYSA,N,Mycotoxin T 2,UNNZZQOFLFJJJZ-UHFFFAOYSA-N
HMDB32865,219.104799421,C16H13N,N(C1=CC=CC=C1)C1=CC2=CC=CC=C2C=C1,"InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H",KEQFTVQCIQJIQW,UHFFFAOYSA,N,N-Phenyl-2-naphthylamine,KEQFTVQCIQJIQW-UHFFFAOYSA-N
HMDB32866,242.057908808,C14H10O4,OC1=CC(O)=C2C(C=CC3=C2C(O)=C(O)C=C3)=C1,"InChI=1S/C14H10O4/c15-9-5-8-2-1-7-3-4-10(16)14(18)13(7)12(8)11(17)6-9/h1-6,15-18H",JSLUYTKYLIDAEB,UHFFFAOYSA,N,"2,4,5,6-Phenanthrenetetrol",JSLUYTKYLIDAEB-UHFFFAOYSA-N
HMDB32867,168.057514878,C12H8O,CC#CC#CC(=O)C1=CC=CC=C1,"InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3",RAZOKRUZEQERLH,UHFFFAOYSA,N,Capillin,RAZOKRUZEQERLH-UHFFFAOYSA-N
HMDB32868,436.464416542,C30H60O,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O,"InChI=1S/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h30H,2-29H2,1H3",CGNVIRPGBUXJES,UHFFFAOYSA,N,Triacontanal,CGNVIRPGBUXJES-UHFFFAOYSA-N
HMDB32869,374.136553058,C20H22O7,COC1=CC(OC)=C(OC)C2=C1C(=O)CC(O2)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C20H22O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-8,10,14H,9H2,1-5H3",KDAYBJYBUBBFCG,UHFFFAOYSA,N,"3',4',5,7,8-Pentamethoxyflavanone",KDAYBJYBUBBFCG-UHFFFAOYSA-N
HMDB32870,342.167853186,C17H26O7,CC\C=C\CC1=C(C)C(CC1=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C17H26O7/c1-3-4-5-6-10-9(2)12(7-11(10)19)23-17-16(22)15(21)14(20)13(8-18)24-17/h4-5,12-18,20-22H,3,6-8H2,1-2H3/b5-4+",NGPYRFLYLKLRDH,SNAWJCMRSA,N,Jasmolone glucoside,NGPYRFLYLKLRDH-SNAWJCMRSA-N
HMDB32871,210.125594442,C12H18O3,CCCCC(=O)C1CCCC=C1C(O)=O,"InChI=1S/C12H18O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h7,9H,2-6,8H2,1H3,(H,14,15)",PHVSWPDOXIQPTN,UHFFFAOYSA,N,Sedanonic acid,PHVSWPDOXIQPTN-UHFFFAOYSA-N
HMDB32872,134.021523302,C4H6O5,COC(=O)OC(=O)OC,InChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3,GZDFHIJNHHMENY,UHFFFAOYSA,N,Velcorin,GZDFHIJNHHMENY-UHFFFAOYSA-N
HMDB32873,162.05282343,C6H10O5,CCOC(=O)OC(=O)OCC,"InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3",FFYPMLJYZAEMQB,UHFFFAOYSA,N,Diethyl dicarbonate,FFYPMLJYZAEMQB-UHFFFAOYSA-N
HMDB32874,130.099379692,C7H14O2,CCCCCCOC=O,"InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3",OUGPMNMLWKSBRI,UHFFFAOYSA,N,Hexyl formate,OUGPMNMLWKSBRI-UHFFFAOYSA-N
HMDB32875,446.33960996,C28H46O4,CC(C)C(C)CCC(C)C1CCC2C3=CC(=O)C4(O)CC(O)CCC4(C)C3(O)CCC12C,"InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h15,17-22,29,31-32H,7-14,16H2,1-6H3",WNCDXWLLIJDSNA,UHFFFAOYSA,N,"3,5,9-Trihydroxyergost-7-en-6-one",WNCDXWLLIJDSNA-UHFFFAOYSA-N
HMDB32876,284.032087988,C15H8O6,OC(=O)C1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O,"InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)",FCDLCPWAQCPTKC,UHFFFAOYSA,N,Rhein,FCDLCPWAQCPTKC-UHFFFAOYSA-N
HMDB32877,446.084911418,C21H18O11,OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)C3=O)C(O)C(O)C1O,"InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30)",WYKUTTFFZMQCGO,UHFFFAOYSA,N,Glucorhein,WYKUTTFFZMQCGO-UHFFFAOYSA-N
HMDB32878,383.136887409,C21H21NO6,COC1=CC2=C(C=C1OC)C(=O)C(=O)C1=C(CN(C)CC2)C2=C(OCO2)C=C1,"InChI=1S/C21H21NO6/c1-22-7-6-12-8-17(25-2)18(26-3)9-14(12)20(24)19(23)13-4-5-16-21(15(13)10-22)28-11-27-16/h4-5,8-9H,6-7,10-11H2,1-3H3",UFCVPEFVGGMGSE,UHFFFAOYSA,N,13-Oxocryptopine,UFCVPEFVGGMGSE-UHFFFAOYSA-N
HMDB32879,460.334130652,C32H44O2,CCOC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C32H44O2/c1-9-34-31(33)29(6)20-13-19-26(3)16-11-10-15-25(2)17-12-18-27(4)22-23-30-28(5)21-14-24-32(30,7)8/h10-13,15-20,22-23H,9,14,21,24H2,1-8H3/b11-10+,17-12+,19-13+,23-22+,25-15+,26-16+,27-18-,29-20+",GIRXTOSJOKKBHO,GUCZFGIOSA,N,all-trans-Carophyll yellow,GIRXTOSJOKKBHO-GUCZFGIOSA-N
HMDB32880,513.207092237,C21H31N5O10,C\C(COC1OC(CO)C(O)C(O)C1O)=C/CNC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC=N1,"InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+",MVMBTNNVZQRZQT,XNWCZRBMSA,N,trans-Zeatin-O-glucoside riboside,MVMBTNNVZQRZQT-XNWCZRBMSA-N
HMDB32881,836.65300517,C53H88O7,CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CC\C(=C/C)C(C)C)C(O)C(O)C1O,"InChI=1S/C53H88O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h9,13-14,16-17,27,37-38,41-46,48-51,55-57H,8,10-12,15,18-26,28-36H2,1-7H3/b14-13+,17-16+,39-9+",UOFFWDCBMQQKOS,FFDOWZJQSA,N,"Isofucosterol 3-O-[6-O-(9,12-Octadecadienoyl)-b-D-glucopyranoside]",UOFFWDCBMQQKOS-FFDOWZJQSA-N
HMDB32882,410.354866094,C29H46O,CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4CC(=O)CCC44CC34CCC12C,"InChI=1S/C29H46O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-22,24-25H,1,7-18H2,2-6H3",UWHKELQKZGZXIE,UHFFFAOYSA,N,28-Norcyclomusalenone,UWHKELQKZGZXIE-UHFFFAOYSA-N
HMDB32883,176.047344122,C10H8O3,OC1=CC=CC2=C(O)C=CC(O)=C12,"InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,11-13H",NHEVNUARLCWEED,UHFFFAOYSA,N,"1,4,5-Naphthalenetriol",NHEVNUARLCWEED-UHFFFAOYSA-N
HMDB32884,452.034806878,C18H16N2O8S2,COC1=C(C=C(C)C(=C1)S(O)(=O)=O)\N=N\C1=C(O)C=CC2=CC(=CC=C12)S(O)(=O)=O,"InChI=1S/C18H16N2O8S2/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)/b20-19+",UQWIHFJXDRNUDP,FMQUCBEESA,N,Allura red AC,UQWIHFJXDRNUDP-FMQUCBEESA-N
HMDB32885,537.981056748,C20H14N2O10S3,OC1=C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C2=CC=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C20H14N2O10S3/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/b22-21+",IRPXADUBAQAOKL,QURGRASLSA,N,Amaranth,IRPXADUBAQAOKL-QURGRASLSA-N
HMDB32886,328.051777572,C16H12N2O4S,OC1=CC=C(\N=N/C2=CC=C(C=C2)S(O)(=O)=O)C2=CC=CC=C12,"InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17-",PURJGKXXWJKIQR,ZCXUNETKSA,N,Orange I,PURJGKXXWJKIQR-ZCXUNETKSA-N
HMDB32887,173.084063979,C11H11NO,CC1=C(O)C2=CC=CC=C2C(N)=C1,"InChI=1S/C11H11NO/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,13H,12H2,1H3",UGQFCTZXVAPVCS,UHFFFAOYSA,N,4-Amino-2-methyl-1-naphthol,UGQFCTZXVAPVCS-UHFFFAOYSA-N
HMDB32888,215.094628665,C13H13NO2,CC(=O)NC1=CC(C)=C(O)C2=C1C=CC=C2,"InChI=1S/C13H13NO2/c1-8-7-12(14-9(2)15)10-5-3-4-6-11(10)13(8)16/h3-7,16H,1-2H3,(H,14,15)",WBCVLLLKWZXXBK,UHFFFAOYSA,N,Acetyl vitamin K5,WBCVLLLKWZXXBK-UHFFFAOYSA-N
HMDB32889,276.126263144,C18H16N2O,CC1=CC(\N=N\C2=C(O)C=CC3=CC=CC=C23)=C(C)C=C1,"InChI=1S/C18H16N2O/c1-12-7-8-13(2)16(11-12)19-20-18-15-6-4-3-5-14(15)9-10-17(18)21/h3-11,21H,1-2H3/b20-19+",VUSAIZBVVMZCCH,FMQUCBEESA,N,"1-[(2,5-Dimethylphenyl)azo]-2-naphthalenol",VUSAIZBVVMZCCH-FMQUCBEESA-N
HMDB32890,254.094294314,C16H14O3,COC1=CC2=C(C=C1)C=CC1=CC(OC)=CC(O)=C21,"InChI=1S/C16H14O3/c1-18-12-6-5-10-3-4-11-7-13(19-2)9-15(17)16(11)14(10)8-12/h3-9,17H,1-2H3",NTVJURNVFOEVHP,UHFFFAOYSA,N,"2,6-Dimethoxy-4-phenanthrenol",NTVJURNVFOEVHP-UHFFFAOYSA-N
HMDB32891,164.083729628,C10H12O2,COC1=CC=C(CC(C)=O)C=C1,"InChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3",WFWKNGZODAOLEO,UHFFFAOYSA,N,1-(4-Methoxyphenyl)-2-propanone,WFWKNGZODAOLEO-UHFFFAOYSA-N
HMDB32892,1102.555989058,C54H86O23,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)=O)C(O)C(O)C1O,"InChI=1S/C54H86O23/c1-22-30(57)33(60)38(65)44(70-22)75-41-35(62)32(59)26(21-56)72-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-29-12-13-51(6)27(50(29,4)5)11-14-53(8)28(51)10-9-23-24-19-49(2,3)15-17-54(24,18-16-52(23,53)7)48(69)77-45-39(66)34(61)31(58)25(20-55)71-45/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)",VLPIKCMVDFDYQR,UHFFFAOYSA,N,Lablaboside A,VLPIKCMVDFDYQR-UHFFFAOYSA-N
HMDB32893,1264.608812488,C60H96O28,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C60H96O28/c1-23-32(64)36(68)42(74)49(79-23)85-45-38(70)34(66)27(20-61)81-51(45)87-47-41(73)40(72)44(48(76)77)84-53(47)83-31-12-13-56(5)29(57(31,6)22-63)11-14-59(8)30(56)10-9-25-26-19-55(3,4)15-17-60(26,18-16-58(25,59)7)54(78)88-52-46(39(71)35(67)28(21-62)82-52)86-50-43(75)37(69)33(65)24(2)80-50/h9,23-24,26-47,49-53,61-75H,10-22H2,1-8H3,(H,76,77)",BHKRIROTIBILJW,UHFFFAOYSA,N,Lablaboside C,BHKRIROTIBILJW-UHFFFAOYSA-N
HMDB32894,574.36582471,C37H50O5,CC1CCC2(CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(=O)C6=CC=CC=C6)C(C)(C)C5CCC34C)C2C1C)C(O)=O,"InChI=1S/C37H50O5/c1-22-13-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)21-26(38)30-34(5)16-15-28(42-31(39)24-11-9-8-10-12-24)33(3,4)27(34)14-17-36(30,35)7/h8-12,21-23,27-30H,13-20H2,1-7H3,(H,40,41)",RGCBYGZECVEZKC,UHFFFAOYSA,N,3-Benzoyloxy-11-oxo-12-ursen-28-oic acid,RGCBYGZECVEZKC-UHFFFAOYSA-N
HMDB32895,348.193674006,C20H28O5,C\C=C(\C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C,"InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-16-11(3)19(23)24-15(16)9-13-7-8-14(21)12(4)20(13,17)5/h6,12-15,17,21H,7-9H2,1-5H3/b10-6-",VHVVIDFLXPOQAK,POHAHGRESA,N,"3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide",VHVVIDFLXPOQAK-POHAHGRESA-N
HMDB32896,346.178023942,C20H26O5,C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(=O)C(C)C12C,"InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-11(3)19(23)24-15(16)9-13-7-8-14(21)12(4)20(13,17)5/h6,12-13,15,17H,7-9H2,1-5H3/b10-6+",XAFKFWYINJYQAJ,UXBLZVDNSA,N,"3-Oxo-6b-angeloyloxy-7(11)-eremophilen-12,8a-olide",XAFKFWYINJYQAJ-UXBLZVDNSA-N
HMDB32900,578.142426296,C30H26O12,OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C(=C(O)C=C2O)C1=C(C=C(O)C(O)=C1)C1OC2=C(CC1O)C(O)=CC(O)=C2,"InChI=1S/C30H26O12/c31-12-4-18(33)15-8-25(40)29(41-26(15)5-12)14-7-22(37)21(36)6-13(14)27-23(38)10-19(34)16-9-24(39)28(42-30(16)27)11-1-2-17(32)20(35)3-11/h1-7,10,24-25,28-29,31-40H,8-9H2",NFKUCWGVXFRSRX,UHFFFAOYSA,N,Epicatechin-(6'->8)-epicatechin,NFKUCWGVXFRSRX-UHFFFAOYSA-N
HMDB32901,196.146329884,C12H20O2,O=C1CCCCCCC\C=C\CCO1,"InChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2/b7-5+",FZKPUQQWULXMCD,FNORWQNLSA,N,Yuzu lactone,FZKPUQQWULXMCD-FNORWQNLSA-N
HMDB32902,350.033722215,C16H11N2NaO4S,[Na+].[O-]S(=O)(=O)C1=CC=C2C(C=CC(=O)\C2=N\NC2=CC=CC=C2)=C1,"InChI=1S/C16H12N2O4S.Na/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12;/h1-10,17H,(H,20,21,22);/q;+1/p-1/b18-16+;",MWRMYQCXIXUBGJ,HYNBPGMHSA,M,Sodium 6-hydroxy-5-(phenylazo)-2-naphthalenesulfoniate,MWRMYQCXIXUBGJ-HYNBPGMHSA-M
HMDB32903,448.100561482,C21H20O11,CC1=CC2=C(C(O)=C1OC1OC(CO)C(O)C(O)C1O)C(=O)C1=C(C=C(O)C=C1O)C2=O,"InChI=1S/C21H20O11/c1-6-2-8-13(16(27)12-9(14(8)25)3-7(23)4-10(12)24)17(28)20(6)32-21-19(30)18(29)15(26)11(5-22)31-21/h2-4,11,15,18-19,21-24,26,28-30H,5H2,1H3",RYQBZVIMEYASQP,UHFFFAOYSA,N,"1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside",RYQBZVIMEYASQP-UHFFFAOYSA-N
HMDB32904,716.137734848,C36H28O16,OC1CC2=C(O)C=C(O)C=C2OC1C1=CC2=C(C(O)=C(O)C=C2C2OC3=CC(O)=CC(O)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(=O)C(O)=C1,"InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)",GPLOTACQBREROW,UHFFFAOYSA,N,Isotheaflavin 3'-gallate,GPLOTACQBREROW-UHFFFAOYSA-N
HMDB32905,716.137734848,C36H28O16,OC1CC2=C(OC1C1=CC(O)=C(O)C3=C1C=C(C=C(O)C3=O)C1OC3=C(CC1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C3)C=C(O)C=C2O,"InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)",KMJPKUVSXFVQGZ,UHFFFAOYSA,N,Neotheaflavin 3-gallate,KMJPKUVSXFVQGZ-UHFFFAOYSA-N
HMDB32906,492.199547244,C25H32O10,COC1=C(O)C=C2C(C(COC3OC(CO)C(O)C3O)C(CO)CC2=C1)C1=CC(OC)=C(O)C=C1,"InChI=1S/C25H32O10/c1-32-19-6-12(3-4-17(19)28)22-15-8-18(29)20(33-2)7-13(15)5-14(9-26)16(22)11-34-25-24(31)23(30)21(10-27)35-25/h3-4,6-8,14,16,21-31H,5,9-11H2,1-2H3",HLTAJPBMZNNKMA,UHFFFAOYSA,N,Isolariciresinol 9'-O-alpha-L-arabinofuranoside,HLTAJPBMZNNKMA-UHFFFAOYSA-N
HMDB32907,522.21011193,C26H34O11,COC1=C(O)C=C2C(C(CO)C(COC3OC(CO)C(O)C(O)C3O)CC2=C1)C1=CC(OC)=C(O)C=C1,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3",BUQQDANPHQFSEK,UHFFFAOYSA,N,Isolariciresinol 9-O-beta-D-glucoside,BUQQDANPHQFSEK-UHFFFAOYSA-N
HMDB32908,610.153384912,C27H30O16,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O16/c28-7-14-17(32)20(35)23(38)26(41-14)43-25-21(36)18(33)15(8-29)42-27(25)39-11-5-12(31)16-13(6-11)40-24(22(37)19(16)34)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-21,23,25-33,35-38H,7-8H2",QIIWNLYXERJKDH,UHFFFAOYSA,N,Kaempferol 7-sophoroside,QIIWNLYXERJKDH-UHFFFAOYSA-N
HMDB32909,304.073558872,C19H12O4,COC1=CC=C(C=C1)C1=C2C(=O)OC(=O)C3=CC=CC(C=C1)=C23,"InChI=1S/C19H12O4/c1-22-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(21)23-18(15)20/h2-10H,1H3",QJNMPLSUKPHYQK,UHFFFAOYSA,N,2-(4-Methoxyphenyl)naphthalic anhydride,QJNMPLSUKPHYQK-UHFFFAOYSA-N
HMDB32910,756.190164348,C36H36O18,OCC1OC(C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C36H36O18/c37-12-23-28(44)32(48)35(54-36-33(49)31(47)29(45)24(53-36)13-50-25(43)8-3-14-1-5-16(38)6-2-14)34(52-23)27-20(42)11-22-26(30(27)46)19(41)10-21(51-22)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,42,44-49H,12-13H2/b8-3+",MWRFISCXYNYBKS,FPYGCLRLSA,N,Isoorientin 2''-[p-coumaroyl-(->6)-glucoside],MWRFISCXYNYBKS-FPYGCLRLSA-N
HMDB32911,786.200729034,C37H38O19,COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C4=C(OC(=CC4=O)C4=CC(O)=C(O)C=C4)C=C3O)C(O)C(O)C2O)=C1,"InChI=1S/C37H38O19/c1-51-22-8-14(2-5-17(22)40)3-7-26(44)52-13-25-30(46)32(48)34(50)37(55-25)56-36-33(49)29(45)24(12-38)54-35(36)28-20(43)11-23-27(31(28)47)19(42)10-21(53-23)15-4-6-16(39)18(41)9-15/h2-11,24-25,29-30,32-41,43,45-50H,12-13H2,1H3/b7-3+",BKAKNBQTKDWIDR,XVNBXDOJSA,N,Isoorientin 2''-[feruloyl-(->6)-glucoside],BKAKNBQTKDWIDR-XVNBXDOJSA-N
HMDB32912,108.006741636,C3H8S2,CCSSC,"InChI=1S/C3H8S2/c1-3-5-4-2/h3H2,1-2H3",XLTBPTGNNLIKRW,UHFFFAOYSA,N,Ethyl methyl disulfide,XLTBPTGNNLIKRW-UHFFFAOYSA-N
HMDB32913,194.167065326,C13H22O,CC(=O)CCC1=C(C)CCCC1(C)C,"InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3",QJJDNZGPQDGNDX,UHFFFAOYSA,N,"4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone",QJJDNZGPQDGNDX-UHFFFAOYSA-N
HMDB32914,96.021129372,C5H4O2,O=CC1=CC=CO1,InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H,HYBBIBNJHNGZAN,UHFFFAOYSA,N,2-Furancarboxaldehyde,HYBBIBNJHNGZAN-UHFFFAOYSA-N
HMDB32915,114.013935504,C5H6OS,SCC1=CC=CO1,"InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2",ZFFTZDQKIXPDAF,UHFFFAOYSA,N,2-Furanmethanethiol,ZFFTZDQKIXPDAF-UHFFFAOYSA-N
HMDB32916,128.029585568,C6H8OS,CSCC1=CC=CO1,"InChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3",SKSFHXVDHVKIBN,UHFFFAOYSA,N,2-(Methylthiomethyl)furan,SKSFHXVDHVKIBN-UHFFFAOYSA-N
HMDB32917,124.0524295,C7H8O2,CC(=O)CC1=CC=CO1,"InChI=1S/C7H8O2/c1-6(8)5-7-3-2-4-9-7/h2-4H,5H2,1H3",IQOJTGSBENZIOL,UHFFFAOYSA,N,1-(2-Furanyl)-2-propanone,IQOJTGSBENZIOL-UHFFFAOYSA-N
HMDB32918,122.036779436,C7H6O2,O=C\C=C/C1=CC=CO1,InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1-,VZIRCHXYMBFNFD,IWQZZHSRSA,N,3-(2-Furanyl)-2-propenal,VZIRCHXYMBFNFD-IWQZZHSRSA-N
HMDB32919,152.047344122,C8H8O3,CCC(=O)C(=O)C1=CC=CO1,"InChI=1S/C8H8O3/c1-2-6(9)8(10)7-4-3-5-11-7/h3-5H,2H2,1H3",IWMXBRWYPMCNQM,UHFFFAOYSA,N,Ethyl 2-furanyl diketone,IWMXBRWYPMCNQM-UHFFFAOYSA-N
HMDB32920,138.031694058,C7H6O3,CC(=O)C(=O)C1=CC=CO1,"InChI=1S/C7H6O3/c1-5(8)7(9)6-3-2-4-10-6/h2-4H,1H3",JXZJRYDTSDCGLO,UHFFFAOYSA,N,alpha-Furyl methyl diketone,JXZJRYDTSDCGLO-UHFFFAOYSA-N
HMDB32921,168.07864425,C9H12O3,CCOC(=O)CCC1=CC=CO1,"InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3",OWIWZQQFSTZZIG,UHFFFAOYSA,N,Ethyl 2-furanpropionate,OWIWZQQFSTZZIG-UHFFFAOYSA-N
HMDB32922,140.029585568,C7H8OS,CC1=C2SCCC2=CO1,"InChI=1S/C7H8OS/c1-5-7-6(4-8-5)2-3-9-7/h4H,2-3H2,1H3",WQOKVCDOEDFSAJ,UHFFFAOYSA,N,Kahweofuran,WQOKVCDOEDFSAJ-UHFFFAOYSA-N
HMDB32923,142.02660868,C6H6O4,OCC1=CC(=O)C(O)=CO1,"InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2",BEJNERDRQOWKJM,UHFFFAOYSA,N,Kojic acid,BEJNERDRQOWKJM-UHFFFAOYSA-N
HMDB32924,260.089602866,C11H16O7,OCC1OC(OCC2=COC=C2)C(O)C(O)C1O,"InChI=1S/C11H16O7/c12-3-7-8(13)9(14)10(15)11(18-7)17-5-6-1-2-16-4-6/h1-2,4,7-15H,3,5H2",SPFOGLIFWSAONR,UHFFFAOYSA,N,3-Furanmethanol glucoside,SPFOGLIFWSAONR-UHFFFAOYSA-N
HMDB32925,386.318480588,C26H42O2,CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3",LRQGFQDEQPZDQC,UHFFFAOYSA,N,"1-Phenyl-1,3-eicosanedione",LRQGFQDEQPZDQC-UHFFFAOYSA-N
HMDB32926,188.131348522,C12H16N2,C1CCC2=NC3=C(CCCC3)N=C2C1,InChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H2,JYYRTWNCBVRKMN,UHFFFAOYSA,N,Polycartine B,JYYRTWNCBVRKMN-UHFFFAOYSA-N
HMDB32927,162.042927446,C8H6N2O2,O=N1=CC=N(=O)C2=CC=CC=C12,InChI=1S/C8H6N2O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,CKIHZSGJPSDCNC,UHFFFAOYSA,N,Quindoxin,CKIHZSGJPSDCNC-UHFFFAOYSA-N
HMDB32928,227.117095441,C12H13N5,CN1C(N)=NC2=C1C(C)=CC1=C2N=C(C)C=N1,"InChI=1S/C12H13N5/c1-6-4-8-9(15-7(2)5-14-8)10-11(6)17(3)12(13)16-10/h4-5H,1-3H3,(H2,13,16)",LAZSIJHHPMHKQI,UHFFFAOYSA,N,"2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline",LAZSIJHHPMHKQI-UHFFFAOYSA-N
HMDB32929,118.041864814,C8H6O,O1C=CC2=C1C=CC=C2,InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H,IANQTJSKSUMEQM,UHFFFAOYSA,N,Benzofuran,IANQTJSKSUMEQM-UHFFFAOYSA-N
HMDB32930,135.014269855,C7H5NS,S1C=NC2=CC=CC=C12,InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,IOJUPLGTWVMSFF,UHFFFAOYSA,N,Benzothiazole,IOJUPLGTWVMSFF-UHFFFAOYSA-N
HMDB32931,135.032028409,C7H5NO2,O=C1NC2=CC=CC=C2O1,"InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",ASSKVPFEZFQQNQ,UHFFFAOYSA,N,2-Benzoxazolol,ASSKVPFEZFQQNQ-UHFFFAOYSA-N
HMDB32932,1104.535253616,C53H84O24,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-45-37(65)34(62)32(60)26(19-55)72-45)16-14-51(5)22(23(53)17-48)7-8-28-49(3)11-10-29(50(4,21-56)27(49)9-12-52(28,51)6)73-46-40(75-43-35(63)30(58)24(57)20-70-43)38(66)39(41(76-46)42(67)68)74-44-36(64)33(61)31(59)25(18-54)71-44/h7,23-41,43-46,54-66H,8-21H2,1-6H3,(H,67,68)",BLVIPBBMPJFHFA,UHFFFAOYSA,N,Tuberoside C (Ullucus tuberosus),BLVIPBBMPJFHFA-UHFFFAOYSA-N
HMDB32933,166.11061308,C9H14N2O,CCC(C)C1=C(OC)N=CC=N1,"InChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3",QMQDJVIJVPEQHE,UHFFFAOYSA,N,2-Methoxy-3-(1-methylpropyl)pyrazine,QMQDJVIJVPEQHE-UHFFFAOYSA-N
HMDB32934,135.104799421,C9H13N,CCCCC1=CN=CC=C1,"InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3",QSNMFWFDOFQASV,UHFFFAOYSA,N,3-Butylpyridine,QSNMFWFDOFQASV-UHFFFAOYSA-N
HMDB32935,154.045235632,C8H10OS,CCCC(=O)C1=CC=CS1,"InChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3",YXHIINNJOGKPLF,UHFFFAOYSA,N,1-(2-Thienyl)-1-butanone,YXHIINNJOGKPLF-UHFFFAOYSA-N
HMDB32936,209.024356212,C10H8ClNO2,OC(=O)CC1=CNC2=C1C(Cl)=CC=C2,"InChI=1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)",WNCFBCKZRJDRKZ,UHFFFAOYSA,N,4-Chloro-1H-indole-3-acetic acid,WNCFBCKZRJDRKZ-UHFFFAOYSA-N
HMDB32937,223.040006276,C11H10ClNO2,COC(=O)CC1=CNC2=CC=CC(Cl)=C12,"InChI=1S/C11H10ClNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3",SYPGJEURLIGNPE,UHFFFAOYSA,N,Methyl 4-chloro-1H-indole-3-acetate,SYPGJEURLIGNPE-UHFFFAOYSA-N
HMDB32938,146.036779436,C9H6O2,O=C1C=COC2=CC=CC=C12,InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,OTAFHZMPRISVEM,UHFFFAOYSA,N,Chromone,OTAFHZMPRISVEM-UHFFFAOYSA-N
HMDB32939,129.991091572,C5H6S2,CSC1=CSC=C1,"InChI=1S/C5H6S2/c1-6-5-2-3-7-4-5/h2-4H,1H3",OTYBVBDWIKXFDO,UHFFFAOYSA,N,3-(Methylthio)thiophene,OTYBVBDWIKXFDO-UHFFFAOYSA-N
HMDB32940,1486.68276529,C68H110O35,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C68H110O35/c1-22-10-13-68(89-20-22)23(2)38-33(103-68)15-31-29-9-8-27-14-28(11-12-66(27,6)30(29)16-37(73)67(31,38)7)93-62-50(85)45(80)54(35(18-70)95-62)98-63-51(86)46(81)55(36(19-71)96-63)99-65-58(102-59-47(82)41(76)32(72)21-88-59)56(42(77)34(17-69)94-65)100-64-57(101-61-49(84)44(79)40(75)25(4)91-61)52(87)53(26(5)92-64)97-60-48(83)43(78)39(74)24(3)90-60/h22-36,38-65,69-72,74-87H,8-21H2,1-7H3",JNWOJVVOILIUQX,UHFFFAOYSA,N,Agavoside F,JNWOJVVOILIUQX-UHFFFAOYSA-N
HMDB32941,654.434298204,C36H62O10,CC(C(O)C(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C,"InChI=1S/C36H62O10/c1-18(25(38)28(41)30(43)33(4,5)44)19-13-14-36(8)23-11-9-20-21(34(23,6)15-16-35(19,36)7)10-12-24(32(20,2)3)46-31-29(42)27(40)26(39)22(17-37)45-31/h9,18-19,21-31,37-44H,10-17H2,1-8H3",BQQVUJRUVFZIJJ,UHFFFAOYSA,N,Momorcharaside B,BQQVUJRUVFZIJJ-UHFFFAOYSA-N
HMDB32942,816.487121634,C42H72O15,CC(C(O)C(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C,"InChI=1S/C42H72O15/c1-19(27(44)32(49)35(52)39(4,5)53)20-13-14-42(8)25-11-9-21-22(40(25,6)15-16-41(20,42)7)10-12-26(38(21,2)3)57-37-34(51)31(48)29(46)24(56-37)18-54-36-33(50)30(47)28(45)23(17-43)55-36/h9,19-20,22-37,43-53H,10-18H2,1-8H3",WBYJYPOPDKQBQJ,UHFFFAOYSA,N,Momorcharaside A,WBYJYPOPDKQBQJ-UHFFFAOYSA-N
HMDB32943,304.10104975,C12H21N2O3PS,CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C,"InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3",FHIVAFMUCKRCQO,UHFFFAOYSA,N,Diazinon,FHIVAFMUCKRCQO-UHFFFAOYSA-N
HMDB32944,190.02660868,C10H6O4,OC(=O)C1=CC(=O)OC2=CC=CC=C12,"InChI=1S/C10H6O4/c11-9-5-7(10(12)13)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13)",DORZTUIRBJRLFD,UHFFFAOYSA,N,Coumarin-4-carboxylic acid,DORZTUIRBJRLFD-UHFFFAOYSA-N
HMDB32945,154.041864814,C11H6O,O=C(C#CC#C)C1=CC=CC=C1,"InChI=1S/C11H6O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h1,4-8H",ZKQQJUBGJLUJNT,UHFFFAOYSA,N,"1-Phenyl-2,4-pentadiyn-1-one",ZKQQJUBGJLUJNT-UHFFFAOYSA-N
HMDB32946,150.115698458,C9H14N2,CCC1=NC(CC)=C(C)N=C1,"InChI=1S/C9H14N2/c1-4-8-6-10-7(3)9(5-2)11-8/h6H,4-5H2,1-3H3",MRWLZECVHMHMGI,UHFFFAOYSA,N,"3,5-Diethyl-2-methylpyrazine",MRWLZECVHMHMGI-UHFFFAOYSA-N
HMDB32947,148.0524295,C9H8O2,C(C1=CC=CO1)C1=CC=CO1,"InChI=1S/C9H8O2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6H,7H2",YHGNXEIQSHICNK,UHFFFAOYSA,N,Di-2-furanylmethane,YHGNXEIQSHICNK-UHFFFAOYSA-N
HMDB32948,140.062600256,C11H8,C#CC#CCC1=CC=CC=C1,"InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,8H2",ZZGANZXITREHOP,UHFFFAOYSA,N,"5-Phenyl-1,3-pentadiyne",ZZGANZXITREHOP-UHFFFAOYSA-N
HMDB32949,636.460119024,C37H64O8,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCC(=O)CCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C37H64O8/c1-3-4-5-6-7-8-9-12-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-13-10-11-16-29(39)17-14-15-18-30-26-28(25-27(2)38)37(42)43-30/h28,30-36,40-41H,3-26H2,1-2H3",RAOZBXBUMCJFNW,UHFFFAOYSA,N,9-Oxoasimicinone,RAOZBXBUMCJFNW-UHFFFAOYSA-N
HMDB32950,178.02660868,C9H6O4,OC1=CC(O)=C2C(=O)C=COC2=C1,"InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H",NYCXYKOXLNBYID,UHFFFAOYSA,N,"5,7-Dihydroxy-4H-1-benzopyran-4-one",NYCXYKOXLNBYID-UHFFFAOYSA-N
HMDB32951,178.02660868,C9H6O4,OC1=CC2=C(C=C1)C(O)=CC(=O)O2,"InChI=1S/C9H6O4/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4,10-11H",CYSRKZFPSNZSCS,UHFFFAOYSA,N,"4,7-Dihydroxy-2H-1-benzopyran-2-one",CYSRKZFPSNZSCS-UHFFFAOYSA-N
HMDB32952,206.057908808,C11H10O4,COC1=CC(OC)=C2C=CC(=O)OC2=C1,"InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3",NXJCRELRQHZBQA,UHFFFAOYSA,N,Citropten,NXJCRELRQHZBQA-UHFFFAOYSA-N
HMDB32953,260.104859,C15H16O4,COC1=CC(OCC=C(C)C)=C2C=CC(=O)OC2=C1,"InChI=1S/C15H16O4/c1-10(2)6-7-18-13-8-11(17-3)9-14-12(13)4-5-15(16)19-14/h4-6,8-9H,7H2,1-3H3",HSJZJYCOXHKDBJ,UHFFFAOYSA,N,7-Methoxy-5-prenyloxycoumarin,HSJZJYCOXHKDBJ-UHFFFAOYSA-N
HMDB32954,328.167459256,C20H24O4,COC1=CC(OC\C=C(/C)CCC=C(C)C)=C2C=CC(=O)OC2=C1,"InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-18-12-16(22-4)13-19-17(18)8-9-20(21)24-19/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+",WXUOSNJWDJOHGW,XNTDXEJSSA,N,5-Geranyloxy-7-methoxycoumarin,WXUOSNJWDJOHGW-XNTDXEJSSA-N
HMDB32955,344.162373878,C20H24O5,COC1=CC(OC\C=C(/C)CCC(O)C(C)=C)=C2C=CC(=O)OC2=C1,"InChI=1S/C20H24O5/c1-13(2)17(21)7-5-14(3)9-10-24-18-11-15(23-4)12-19-16(18)6-8-20(22)25-19/h6,8-9,11-12,17,21H,1,5,7,10H2,2-4H3/b14-9+",KQPVSSJMHATTGK,NTEUORMPSA,N,"5-(6-Hydroxy-3,7-dimethyl-2,7-octadienyloxy)-7-methoxycoumarin",KQPVSSJMHATTGK-NTEUORMPSA-N
HMDB32956,266.042652674,C12H10O7,OC(=O)C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C12H10O7/c13-8-4-1-7(2-5-8)3-6-9(14)19-10(11(15)16)12(17)18/h1-6,10,13H,(H,15,16)(H,17,18)/b6-3+",RWROLZXFRYSDLG,ZZXKWVIFSA,N,2-O-p-Coumaroyltartronic acid,RWROLZXFRYSDLG-ZZXKWVIFSA-N
HMDB32957,296.05321736,C13H12O8,COC1=C(O)C=CC(\C=C\C(=O)OC(C(O)=O)C(O)=O)=C1,"InChI=1S/C13H12O8/c1-20-9-6-7(2-4-8(9)14)3-5-10(15)21-11(12(16)17)13(18)19/h2-6,11,14H,1H3,(H,16,17)(H,18,19)/b5-3+",ZWXOJLRXYPVVQY,HWKANZROSA,N,2-O-Feruloyltartronic acid,ZWXOJLRXYPVVQY-HWKANZROSA-N
HMDB32958,292.188588628,C14H28O6,CCCCCC(CC)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C14H28O6/c1-3-5-6-7-9(4-2)19-14-13(18)12(17)11(16)10(8-15)20-14/h9-18H,3-8H2,1-2H3",UZTJHMFXKSHSMS,UHFFFAOYSA,N,(S)-3-Octanol glucoside,UZTJHMFXKSHSMS-UHFFFAOYSA-N
HMDB32959,290.172938564,C14H26O6,CCCCCC(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C14H26O6/c1-3-5-6-7-9(4-2)19-14-13(18)12(17)11(16)10(8-15)20-14/h4,9-18H,2-3,5-8H2,1H3",MPSRBJBPHXIOFN,UHFFFAOYSA,N,1-Octen-3-yl glucoside,MPSRBJBPHXIOFN-UHFFFAOYSA-N
HMDB32960,422.215197308,C19H34O10,CCCCCC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C,"InChI=1S/C19H34O10/c1-3-5-6-7-10(4-2)28-19-17(25)15(23)14(22)12(29-19)9-27-18-16(24)13(21)11(20)8-26-18/h4,10-25H,2-3,5-9H2,1H3",VXNMHZVTDWLWRX,UHFFFAOYSA,N,1-Octen-3-yl primeveroside,VXNMHZVTDWLWRX-UHFFFAOYSA-N
HMDB32961,285.136493479,C17H19NO3,OC(C(O)C1=CC=CC=C1)C(=O)NCCC1=CC=CC=C1,"InChI=1S/C17H19NO3/c19-15(14-9-5-2-6-10-14)16(20)17(21)18-12-11-13-7-3-1-4-8-13/h1-10,15-16,19-20H,11-12H2,(H,18,21)",BXCFCVVLKIBDIH,UHFFFAOYSA,N,Secodemethylclausenamide,BXCFCVVLKIBDIH-UHFFFAOYSA-N
HMDB32962,299.152143543,C18H21NO3,CN(CCC1=CC=CC=C1)C(=O)C(O)C(O)C1=CC=CC=C1,"InChI=1S/C18H21NO3/c1-19(13-12-14-8-4-2-5-9-14)18(22)17(21)16(20)15-10-6-3-7-11-15/h2-11,16-17,20-21H,12-13H2,1H3",NCIQCBQQKSZYHT,UHFFFAOYSA,N,Secoclausenamide,NCIQCBQQKSZYHT-UHFFFAOYSA-N
HMDB32963,205.037507717,C10H7NO4,OC(=O)C1=CC(=O)NC2=C1C=CC=C2O,"InChI=1S/C10H7NO4/c12-7-3-1-2-5-6(10(14)15)4-8(13)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)",DVEVPRIOUKVFAM,UHFFFAOYSA,N,Zeanic acid,DVEVPRIOUKVFAM-UHFFFAOYSA-N
HMDB32964,127.009184477,C5H5NOS,CC(=O)C1=NC=CS1,"InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3",MOMFXATYAINJML,UHFFFAOYSA,N,2-Acetylthiazole,MOMFXATYAINJML-UHFFFAOYSA-N
HMDB32965,96.057514878,C6H8O,CC1=CC(C)=CO1,"InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3",AABTWRKUKUPMJG,UHFFFAOYSA,N,"2,4-Dimethylfuran",AABTWRKUKUPMJG-UHFFFAOYSA-N
HMDB32966,170.057908808,C8H10O4,CC1OC(C)=C(OC(C)=O)C1=O,"InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3",VPKIUOQJQJVLRW,UHFFFAOYSA,N,Furaneol acetate,VPKIUOQJQJVLRW-UHFFFAOYSA-N
HMDB32967,145.089149357,C10H11N,CC1=CC2=C(C)C=CC=C2N1,"InChI=1S/C10H11N/c1-7-4-3-5-10-9(7)6-8(2)11-10/h3-6,11H,1-2H3",YBUMNVFXMLIKDZ,UHFFFAOYSA,N,"2,4-Dimethyl-1H-indole",YBUMNVFXMLIKDZ-UHFFFAOYSA-N
HMDB32968,97.052763851,C5H7NO,CC1=NC(C)=CO1,"InChI=1S/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H3",PSOZJOZKEVZLKZ,UHFFFAOYSA,N,"2,4-Dimethyloxazole",PSOZJOZKEVZLKZ-UHFFFAOYSA-N
HMDB32969,97.052763851,C5H7NO,CC1=CN=C(C)O1,"InChI=1S/C5H7NO/c1-4-3-6-5(2)7-4/h3H,1-2H3",NSAUQTCATRWAJC,UHFFFAOYSA,N,"2,5-Dimethyloxazole",NSAUQTCATRWAJC-UHFFFAOYSA-N
HMDB32970,97.052763851,C5H7NO,CC1=C(C)N=CO1,"InChI=1S/C5H7NO/c1-4-5(2)7-3-6-4/h3H,1-2H3",YVORRVFKHZLJGZ,UHFFFAOYSA,N,"4,5-Dimethyloxazole",YVORRVFKHZLJGZ-UHFFFAOYSA-N
HMDB32971,108.068748266,C6H8N2,CC1=C(C)N=CC=N1,"InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3",OXQOBQJCDNLAPO,UHFFFAOYSA,N,"2,3-Dimethylpyrazine",OXQOBQJCDNLAPO-UHFFFAOYSA-N
HMDB32972,107.073499293,C7H9N,CC1=CC=CC(C)=N1,"InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3",OISVCGZHLKNMSJ,UHFFFAOYSA,N,"2,6-Dimethylpyridine",OISVCGZHLKNMSJ-UHFFFAOYSA-N
HMDB32973,95.073499293,C6H9N,CC1=CC=C(C)N1,"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3",PAPNRQCYSFBWDI,UHFFFAOYSA,N,"2,5-Dimethyl-1H-pyrrole",PAPNRQCYSFBWDI-UHFFFAOYSA-N
HMDB32974,113.029919919,C5H7NS,CC1=NC(C)=CS1,"InChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3",OBSLLHNATPQFMJ,UHFFFAOYSA,N,"2,4-Dimethylthiazole",OBSLLHNATPQFMJ-UHFFFAOYSA-N
HMDB32975,113.029919919,C5H7NS,CC1=CN=C(C)S1,"InChI=1S/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3",WVUHHPQQQLBMOE,UHFFFAOYSA,N,"2,5-Dimethylthiazole",WVUHHPQQQLBMOE-UHFFFAOYSA-N
HMDB32976,113.029919919,C5H7NS,CC1=C(C)N=CS1,"InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3",UWSONZCNXUSTKW,UHFFFAOYSA,N,"4,5-Dimethylthiazole",UWSONZCNXUSTKW-UHFFFAOYSA-N
HMDB32977,112.034670946,C6H8S,CC1=C(C)C=CS1,"InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3",BZYUMXXOAYSFOW,UHFFFAOYSA,N,"2,3-Dimethylthiophene",BZYUMXXOAYSFOW-UHFFFAOYSA-N
HMDB32978,112.034670946,C6H8S,CC1=CC(C)=CS1,"InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3",CPULIKNSOUFMPL,UHFFFAOYSA,N,"2,4-Dimethylthiophene",CPULIKNSOUFMPL-UHFFFAOYSA-N
HMDB32979,112.034670946,C6H8S,CC1=CC=C(C)S1,"InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3",GWQOOADXMVQEFT,UHFFFAOYSA,N,"2,5-Dimethylthiophene",GWQOOADXMVQEFT-UHFFFAOYSA-N
HMDB32980,112.034670946,C6H8S,CC1=CSC=C1C,"InChI=1S/C6H8S/c1-5-3-7-4-6(5)2/h3-4H,1-2H3",GPSFYJDZKSRMKZ,UHFFFAOYSA,N,"3,4-Dimethylthiophene",GPSFYJDZKSRMKZ-UHFFFAOYSA-N
HMDB32981,232.100048394,C16H12N2,C1=CC=C(C=C1)C1=C(N=CC=N1)C1=CC=CC=C1,InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-12H,PTZIVVDMBCVSMR,UHFFFAOYSA,N,"2,3-Diphenylpyrazine",PTZIVVDMBCVSMR-UHFFFAOYSA-N
HMDB32982,225.99446239,C10H10S3,C(SCC1=CC=CS1)C1=CC=CS1,"InChI=1S/C10H10S3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2",PVTVLOMEQYIVFW,UHFFFAOYSA,N,"2,2'-Dithenyl sulfide",PVTVLOMEQYIVFW-UHFFFAOYSA-N
HMDB32983,225.078978601,C14H11NO2,CN1C2=CC=CC=C2C(=O)C2=C1C=CC=C2O,"InChI=1S/C14H11NO2/c1-15-10-6-3-2-5-9(10)14(17)13-11(15)7-4-8-12(13)16/h2-8,16H,1H3",NHYDBJFGZCQFEO,UHFFFAOYSA,N,1-Hydroxy-10-methylacridone,NHYDBJFGZCQFEO-UHFFFAOYSA-N
HMDB32984,324.084517488,C15H16O8,OCC1OC(OC2=CC=CC3=C2C=CC(=O)O3)C(O)C(O)C1O,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)22-9-3-1-2-8-7(9)4-5-11(17)21-8/h1-5,10,12-16,18-20H,6H2",UMXDJWMIEHQSHF,UHFFFAOYSA,N,Mahaleboside,UMXDJWMIEHQSHF-UHFFFAOYSA-N
HMDB32985,143.040484605,C6H9NOS,CC1=C(CCO)SC=N1,"InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3",BKAWJIRCKVUVED,UHFFFAOYSA,N,5-(2-Hydroxyethyl)-4-methylthiazole,BKAWJIRCKVUVED-UHFFFAOYSA-N
HMDB32986,185.051049291,C8H11NO2S,CC(=O)OCCC1=C(C)N=CS1,"InChI=1S/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3",CRTCWNPLKVVXIX,UHFFFAOYSA,N,5-(2-Hydroxyethyl)-4-methylthiazole acetate,CRTCWNPLKVVXIX-UHFFFAOYSA-N
HMDB32987,280.109944378,C18H16O3,CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1,"InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3",SFBODOKJTYAUCM,UHFFFAOYSA,N,Ipriflavone,SFBODOKJTYAUCM-UHFFFAOYSA-N
HMDB32988,142.02660868,C6H6O4,CC1=C(O)C(=O)C(O)=CO1,"InChI=1S/C6H6O4/c1-3-5(8)6(9)4(7)2-10-3/h2,7-8H,1H3",SSSNQLHKSUJJTE,UHFFFAOYSA,N,5-Hydroxymaltol,SSSNQLHKSUJJTE-UHFFFAOYSA-N
HMDB32989,218.057908808,C12H10O4,CC(=O)OC1=CC=C2C(C)=CC(=O)OC2=C1,"InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3",HXVZGASCDAGAPS,UHFFFAOYSA,N,4-Methylumbelliferyl acetate,HXVZGASCDAGAPS-UHFFFAOYSA-N
HMDB32990,176.047344122,C10H8O3,CC1=CC2=C(OC(=O)C=C2)C=C1O,"InChI=1S/C10H8O3/c1-6-4-7-2-3-10(12)13-9(7)5-8(6)11/h2-5,11H,1H3",QWQWBHZHRMHXOC,UHFFFAOYSA,N,7-Hydroxy-6-methyl-2H-1-benzopyran-2-one,QWQWBHZHRMHXOC-UHFFFAOYSA-N
HMDB32991,190.062994186,C11H10O3,COC1=CC2=C(C=CC(=O)O2)C=C1C,"InChI=1S/C11H10O3/c1-7-5-8-3-4-11(12)14-10(8)6-9(7)13-2/h3-6H,1-2H3",XROAZTOPXRDRAO,UHFFFAOYSA,N,7-Methoxy-6-methyl-2H-1-benzopyran-2-one,XROAZTOPXRDRAO-UHFFFAOYSA-N
HMDB32992,290.100167552,C12H18O8,CC1OC(C)=C(OC2OC(CO)C(O)C(O)C2O)C1=O,"InChI=1S/C12H18O8/c1-4-7(14)11(5(2)18-4)20-12-10(17)9(16)8(15)6(3-13)19-12/h4,6,8-10,12-13,15-17H,3H2,1-2H3",ZCBCXLRKTUDKOP,UHFFFAOYSA,N,Furaneol 4-glucoside,ZCBCXLRKTUDKOP-UHFFFAOYSA-N
HMDB32993,114.013935504,C5H6OS,OCC1=CC=CS1,"InChI=1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",ZPHGMBGIFODUMF,UHFFFAOYSA,N,2-Thiophenemethanol,ZPHGMBGIFODUMF-UHFFFAOYSA-N
HMDB32994,112.016043994,C5H4O3,OC1=CC=COC1=O,"InChI=1S/C5H4O3/c6-4-2-1-3-8-5(4)7/h1-3,6H",LIPRKYKMVQPYPG,UHFFFAOYSA,N,3-Hydroxy-2H-pyran-2-one,LIPRKYKMVQPYPG-UHFFFAOYSA-N
HMDB32995,314.212004145,C20H28NO2,CCCCCCCCCCCC1=CC(=O)C2=C(C=CC=C2)[N]1=O,"InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21(17)23/h11-12,14-16,21H,2-10,13H2,1H3",PVFSIEJKJIGBCQ,UHFFFAOYSA,N,2-Undecyl-4(1H)-quinolinone N-oxide,PVFSIEJKJIGBCQ-UHFFFAOYSA-N
HMDB32996,299.224914555,C20H29NO,CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1,"InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)",KKSIGOUTTVXAKQ,UHFFFAOYSA,N,2-Undecyl-4(1H)-quinolinone,KKSIGOUTTVXAKQ-UHFFFAOYSA-N
HMDB32997,212.047344122,C13H8O3,OC1=CC2=C(OC3=CC=CC=C3C2=O)C=C1,"InChI=1S/C13H8O3/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,14H",WSACHQJPCNOREV,UHFFFAOYSA,N,2-Hydroxyxanthone,WSACHQJPCNOREV-UHFFFAOYSA-N
HMDB32998,226.062994186,C14H10O3,COC1=CC2=C(OC3=CC=CC=C3C2=O)C=C1,"InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3",DVZCOQQFPCMIPO,UHFFFAOYSA,N,2-Methoxyxanthone,DVZCOQQFPCMIPO-UHFFFAOYSA-N
HMDB32999,212.047344122,C13H8O3,OC1=CC=CC2=C1OC1=CC=CC=C1C2=O,"InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H",KBQFPPUAIJHDCO,UHFFFAOYSA,N,4-Hydroxyxanthone,KBQFPPUAIJHDCO-UHFFFAOYSA-N
HMDB33000,209.084063979,C14H11NO,CN1C2=CC=CC=C2C(=O)C2=CC=CC=C12,"InChI=1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3",XUVKSPPGPPFPQN,UHFFFAOYSA,N,10-Methylacridone,XUVKSPPGPPFPQN-UHFFFAOYSA-N
HMDB33001,149.029919919,C8H7NS,CC1=NC2=CC=CC=C2S1,"InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3",DXYYSGDWQCSKKO,UHFFFAOYSA,N,2-Methylbenzothiazole,DXYYSGDWQCSKKO-UHFFFAOYSA-N
HMDB33002,110.036779436,C6H6O2,CC1=CC=C(O1)C=O,"InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",OUDFNZMQXZILJD,UHFFFAOYSA,N,5-Methyl-2-furancarboxaldehyde,OUDFNZMQXZILJD-UHFFFAOYSA-N
HMDB33003,152.047344122,C8H8O3,CC(=O)C(=O)C1=CC=C(C)O1,"InChI=1S/C8H8O3/c1-5-3-4-7(11-5)8(10)6(2)9/h3-4H,1-2H3",CSILYJHAPLAXTQ,UHFFFAOYSA,N,"1-(5-Methyl-2-furanyl)-1,2-propanedione",CSILYJHAPLAXTQ-UHFFFAOYSA-N
HMDB33004,610.13225554,C30H26O14,OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+",AINXWDZMEIYUSK,QHHAFSJGSA,N,6''-Caffeoylisoorientin,AINXWDZMEIYUSK-QHHAFSJGSA-N
HMDB33005,624.147905604,C31H28O14,COC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C31H28O14/c1-42-30-23(12-43-24(38)7-3-13-2-5-15(32)17(34)8-13)45-31(29(41)28(30)40)26-20(37)11-22-25(27(26)39)19(36)10-21(44-22)14-4-6-16(33)18(35)9-14/h2-11,23,28-35,37,39-41H,12H2,1H3/b7-3+",ALAMENVNTDAUHR,XVNBXDOJSA,N,"4''-Methyl-6''-(3,4-dihydroxy-E-cinnamoyl)isoorientin",ALAMENVNTDAUHR-XVNBXDOJSA-N
HMDB33006,568.121690854,C28H24O13,OC1C(O)C(COC(=O)C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C1O,"InChI=1S/C28H24O13/c29-14-4-1-12(2-5-14)27(37)38-11-22-24(34)25(35)26(36)28(41-22)39-15-8-18(32)23-19(33)10-20(40-21(23)9-15)13-3-6-16(30)17(31)7-13/h1-10,22,24-26,28-32,34-36H,11H2",YGPSUFGQACOQSG,UHFFFAOYSA,N,Neobignonoside,YGPSUFGQACOQSG-UHFFFAOYSA-N
HMDB33007,90.068079564,C4H10O2,C[C@@H](O)[C@@H](C)O,"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1",OWBTYPJTUOEWEK,QWWZWVQMSA,N,"(2R,3R)-2,3-Butanediol",OWBTYPJTUOEWEK-QWWZWVQMSA-N
HMDB33008,530.142426296,C26H26O12,COC1=C(O)C=CC(\C=C/C(=O)OC2CC(O)(CC(O)C2OC(=O)\C=C/C2=CC(O)=C(O)C=C2)C(O)=O)=C1,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-5-,9-4-",SDMADMBVKYOYQN,QWUBYWPLSA,N,4-O-Caffeoyl-3-O-feruloylquinic acid,SDMADMBVKYOYQN-QWUBYWPLSA-N
HMDB33009,348.178417872,C16H28O8,CC1(C)OC2(C)C(O)CC1CC2OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O8/c1-15(2)7-4-9(18)16(3,24-15)10(5-7)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3",YOOVLDBPAMVHGW,UHFFFAOYSA,N,Foeniculoside VIII,YOOVLDBPAMVHGW-UHFFFAOYSA-N
HMDB33010,186.125594442,C10H18O3,CC1(C)OC2(C)CC(O)C1CC2O,"InChI=1S/C10H18O3/c1-9(2)6-4-8(12)10(3,13-9)5-7(6)11/h6-8,11-12H,4-5H2,1-3H3",RLNNVCTYJJOQLN,UHFFFAOYSA,N,"(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol",RLNNVCTYJJOQLN-UHFFFAOYSA-N
HMDB33011,348.178417872,C16H28O8,CC1(C)OC2(C)CC(O)C1CC2OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O8/c1-15(2)7-4-10(16(3,24-15)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3",ZAYDZFSAMSYTBB,UHFFFAOYSA,N,Foeniculoside IX,ZAYDZFSAMSYTBB-UHFFFAOYSA-N
HMDB33012,434.15768243,C22H26O9,COC1=CC(O)=C(C=C1)C1COC2=C(C1)C=CC(OC1OC(CO)C(O)C(O)C1O)=C2,"InChI=1S/C22H26O9/c1-28-13-4-5-15(16(24)7-13)12-6-11-2-3-14(8-17(11)29-10-12)30-22-21(27)20(26)19(25)18(9-23)31-22/h2-5,7-8,12,18-27H,6,9-10H2,1H3",NJODPRHPJQYTHX,UHFFFAOYSA,N,Vestitone 7-glucoside,NJODPRHPJQYTHX-UHFFFAOYSA-N
HMDB33013,906.267626808,C56H42O12,OC1=CC=C(C=C1)C1OC2=CC(O)=CC3=C2C1C1=CC(O)=CC(O)=C1C(C3C1C(C2=CC=C(O)C=C2)C2=C(C=C(O)C=C2O)C2C(OC3=CC(O)=CC1=C23)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H",YQQUILZPDYJDQJ,UHFFFAOYSA,N,Isohopeaphenol,YQQUILZPDYJDQJ-UHFFFAOYSA-N
HMDB33014,334.068867424,C16H14O8,COC1=C(O)C(O)=CC(=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O,"InChI=1S/C16H14O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,15-20,22H,1H3",MIEZPHMCERQLMT,UHFFFAOYSA,N,Hovenitin I,MIEZPHMCERQLMT-UHFFFAOYSA-N
HMDB33015,260.104859,C15H16O4,COC1=CC(=O)OC(C1)\C=C\C1=CC=C(OC)C=C1,"InChI=1S/C15H16O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-8,10,13H,9H2,1-2H3/b8-5+",AYXCIWVJOBQVFH,VMPITWQZSA,N,"5,6-Dihydroyangonin",AYXCIWVJOBQVFH-VMPITWQZSA-N
HMDB33016,260.104859,C15H16O4,COC1=CC=C(CCC2=CC(OC)=CC(=O)O2)C=C1,"InChI=1S/C15H16O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-4,6-7,9-10H,5,8H2,1-2H3",CZCOHVXNUPVUBC,UHFFFAOYSA,N,"7,8-Dihydroyangonin",CZCOHVXNUPVUBC-UHFFFAOYSA-N
HMDB33017,274.084123558,C15H14O5,COC1=CC(=O)OC(\C=C/C2=CC(O)=C(OC)C=C2)=C1,"InChI=1S/C15H14O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-14(19-2)13(16)7-10/h3-9,16H,1-2H3/b5-3-",OCZUPEYJZNWTBK,HYXAFXHYSA,N,11-Hydroxyyangonin,OCZUPEYJZNWTBK-HYXAFXHYSA-N
HMDB33018,288.099773622,C16H16O5,COC1=CC(OC)=C(\C=C\C2=CC(OC)=CC(=O)O2)C=C1,"InChI=1S/C16H16O5/c1-18-12-6-4-11(15(9-12)20-3)5-7-13-8-14(19-2)10-16(17)21-13/h4-10H,1-3H3/b7-5+",AKMMSYGGUVGJEE,FNORWQNLSA,N,10-Methoxyyangonin,AKMMSYGGUVGJEE-FNORWQNLSA-N
HMDB33019,332.18350325,C16H28O7,CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)=CC1,"InChI=1S/C16H28O7/c1-16(2,10-5-3-9(7-17)4-6-10)23-15-14(21)13(20)12(19)11(8-18)22-15/h3,10-15,17-21H,4-8H2,1-2H3",JLDWWSSQBYGULG,UHFFFAOYSA,N,7-Hydroxyterpineol 8-glucoside,JLDWWSSQBYGULG-UHFFFAOYSA-N
HMDB33020,456.360345402,C30H48O3,CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C,"InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23,25,32-33H,9,11-13,15-18H2,1-8H3",AAJIHHYEPHRIET,UHFFFAOYSA,N,Ganodermanondiol,AAJIHHYEPHRIET-UHFFFAOYSA-N
HMDB33021,917.271548252,C43H49O22,COC1=C(O)C=CC(\C=C\C(=O)OC2C(C)OC(OCC3OC(OC4=CC5=C(C=C(O)C=C5OC5OC(CO)C(O)C(O)C5O)[O+]=C4C4=CC=C(O)C=C4)C(O)C(O)C3O)C(O)C2O)=C1,"InChI=1S/C43H48O22/c1-17-39(65-30(48)10-4-18-3-9-23(47)26(11-18)57-2)35(53)38(56)41(59-17)58-16-29-32(50)34(52)37(55)43(64-29)62-27-14-22-24(60-40(27)19-5-7-20(45)8-6-19)12-21(46)13-25(22)61-42-36(54)33(51)31(49)28(15-44)63-42/h3-14,17,28-29,31-39,41-44,49-56H,15-16H2,1-2H3,(H2-,45,46,47,48)/p+1",DLPFHSHPTWWBRJ,UHFFFAOYSA,O,Pelargonidin 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 5-O-b-D-glucopyranoside,DLPFHSHPTWWBRJ-UHFFFAOYSA-O
HMDB33022,526.256668192,C30H38O8,CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C30H38O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19H,8-13H2,1-7H3,(H,37,38)",AKWNYHCILPEENZ,UHFFFAOYSA,N,Ganosporeric acid A,AKWNYHCILPEENZ-UHFFFAOYSA-N
HMDB33023,530.28796832,C30H42O8,CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O,"InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)",LCIUOVOXWPIXOR,UHFFFAOYSA,N,"7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid",LCIUOVOXWPIXOR-UHFFFAOYSA-N
HMDB33024,574.31418307,C32H46O9,CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O,"InChI=1S/C32H46O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-23,27,36-37H,9-14H2,1-8H3,(H,39,40)",QVALJVWVGGEFKU,UHFFFAOYSA,N,Ganoderic acid alpha,QVALJVWVGGEFKU-UHFFFAOYSA-N
HMDB33025,2654.234034524,C116H78O74,OC1OC2COC(=O)C3=CC(OC4=C(O)C(O)=C(O)C=C4C(=O)OC4OC5COC(=O)C6=CC(OC7=C(O)C(O)=C(O)C=C7C(=O)OC7OC8COC(=O)C9=C(C(O)=C(O)C(O)=C9)C9=C(O)C(O)=C(O)C=C9C(=O)OC8C(OC(=O)C8=CC(O)=C(O)C(O)=C8)C7OC(=O)C7=CC(O)=C(O)C(O)=C7)=C(O)C(O)=C6C6=C(C=C(O)C(O)=C6O)C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12,"InChI=1S/C116H78O74/c117-34-1-20(2-35(118)63(34)131)100(157)183-95-92-51(18-173-102(159)22-5-38(121)65(133)77(145)53(22)54-23(106(163)181-92)6-39(122)66(134)78(54)146)178-115(98(95)187-101(158)21-3-36(119)64(132)37(120)4-21)189-112(169)32-13-46(129)73(141)87(155)89(32)176-49-16-31-62(86(154)76(49)144)60-25(8-41(124)72(140)84(60)152)107(164)182-93-52(19-174-104(31)161)179-116(99-96(93)185-109(166)27-10-43(126)68(136)80(148)56(27)58-29(111(168)188-99)12-45(128)70(138)82(58)150)190-113(170)33-14-47(130)74(142)88(156)90(33)175-48-15-30-61(85(153)75(48)143)59-24(7-40(123)71(139)83(59)151)105(162)180-91-50(17-172-103(30)160)177-114(171)97-94(91)184-108(165)26-9-42(125)67(135)79(147)55(26)57-28(110(167)186-97)11-44(127)69(137)81(57)149/h1-16,50-52,91-99,114-156,171H,17-19H2",DPOQQDMKYYPGKM,UHFFFAOYSA,N,Heterophylliin G,DPOQQDMKYYPGKM-UHFFFAOYSA-N
HMDB33026,299.115758037,C17H17NO4,OC1=CC=C(CCNC(=O)\C=C\C2=CC=C(O)C(O)=C2)C=C1,"InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+",VSHUQLRHTJOKTA,XBXARRHUSA,N,N-cis-Caffeoyltyramine,VSHUQLRHTJOKTA-XBXARRHUSA-N
HMDB33027,356.125988372,C20H20O6,COC1=CC(O)=C(C=C1)C(=O)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C=C1,"InChI=1S/C20H20O6/c1-11(2)4-6-13-16(21)9-8-15(18(13)23)20(25)19(24)14-7-5-12(26-3)10-17(14)22/h4-5,7-10,21-23H,6H2,1-3H3",KAQKSYKCXCTGOG,UHFFFAOYSA,N,Licoagrodione,KAQKSYKCXCTGOG-UHFFFAOYSA-N
HMDB33028,315.147058165,C18H21NO4,COC1=CC(CCC(=O)NCCC2=CC=C(O)C=C2)=CC=C1O,"InChI=1S/C18H21NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-4,6-8,12,20-21H,5,9-11H2,1H3,(H,19,22)",XLIPDHTUSRZSKE,UHFFFAOYSA,N,N-Dihydroferuloyltyramine,XLIPDHTUSRZSKE-UHFFFAOYSA-N
HMDB33029,1015.535194037,C50H81NO20,CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C50H81NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h6,20-21,23-48,52-63H,5,7-19H2,1-4H3",AGGQBLQYYGOWKY,UHFFFAOYSA,N,delta5-Demissine,AGGQBLQYYGOWKY-UHFFFAOYSA-N
HMDB33030,434.266838948,C25H38O6,CC(C)C1=C2C3CCC4C5C(OC6OCC(O)C(OC4O)C56O)C3(C)CCC2(C)CC1,"InChI=1S/C25H38O6/c1-12(2)13-7-8-23(3)9-10-24(4)15(17(13)23)6-5-14-18-20(24)31-22-25(18,28)19(30-21(14)27)16(26)11-29-22/h12,14-16,18-22,26-28H,5-11H2,1-4H3",FTZQOXPOWUWXJV,UHFFFAOYSA,N,"(12S,15S)-15-O-Demethyl-10,29-dideoxy-11,12-dihydro-striatin C",FTZQOXPOWUWXJV-UHFFFAOYSA-N
HMDB33031,567.189316909,C33H29NO8,CN1C2=C(C=CC=C2OC2C(O)C(C)(C)OC3=C2C2=C(C=CC(=O)O2)C=C3)C(=O)C2=C1C1=C(OC(C)(C)C=C1)C=C2O,"InChI=1S/C33H29NO8/c1-32(2)14-13-17-22(41-32)15-19(35)24-27(17)34(5)26-18(28(24)37)7-6-8-21(26)39-30-25-20(42-33(3,4)31(30)38)11-9-16-10-12-23(36)40-29(16)25/h6-15,30-31,35,38H,1-5H3",KYDGDSAPWLVOME,UHFFFAOYSA,N,Neoacrimarine H,KYDGDSAPWLVOME-UHFFFAOYSA-N
HMDB33032,385.188922979,C22H27NO5,CNCCC1=C(OC)C(OC)=C(OC)C2=C1C=CC1=C2C=C(OC)C(OC)=C1,"InChI=1S/C22H27NO5/c1-23-10-9-15-14-8-7-13-11-17(24-2)18(25-3)12-16(13)19(14)21(27-5)22(28-6)20(15)26-4/h7-8,11-12,23H,9-10H2,1-6H3",VMIFHEUVQQHIOK,UHFFFAOYSA,N,Thalicpureine,VMIFHEUVQQHIOK-UHFFFAOYSA-N
HMDB33033,190.099379692,C12H14O2,CC1CCC2=C1C=C(C=C2C)C(O)=O,"InChI=1S/C12H14O2/c1-7-3-4-10-8(2)5-9(12(13)14)6-11(7)10/h5-7H,3-4H2,1-2H3,(H,13,14)",YGZDWJVKOQPZDX,UHFFFAOYSA,N,"(R)-3,7-Dimethyl-5-indanecarboxylic acid",YGZDWJVKOQPZDX-UHFFFAOYSA-N
HMDB33034,444.251188884,C26H36O6,CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CC2C3C(CC(O)C2C1)C3(C)C,"InChI=1S/C26H36O6/c1-12(2)6-17(20-23(31)15(10-27)22(30)16(11-28)24(20)32)26(5)8-13-14(9-26)21-18(7-19(13)29)25(21,3)4/h10-14,17-19,21,29-32H,6-9H2,1-5H3",UYWXWYBEHLAUEW,UHFFFAOYSA,N,Antibiotic GR 95647X,UYWXWYBEHLAUEW-UHFFFAOYSA-N
HMDB33035,668.273380888,C38H40N2O9,COC(=O)C1=CC(OC2=CC=C(CC3N(C)CCC4=CC(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)C(=O)C6=C5)=C34)C=C2)=C(O)C=C1,"InChI=1S/C38H40N2O9/c1-39-15-14-24-19-33(45-4)35(46-5)36(49-32-21-27-23(18-31(32)44-3)13-16-40(2)37(27)42)34(24)28(39)17-22-7-10-26(11-8-22)48-30-20-25(38(43)47-6)9-12-29(30)41/h7-12,18-21,28,41H,13-17H2,1-6H3",ZDYMPVYROQQXLO,UHFFFAOYSA,N,Tejedine,ZDYMPVYROQQXLO-UHFFFAOYSA-N
HMDB33036,268.073558872,C16H12O4,COC1=CC(C)=CC2=C1C(=O)C1=C(C=CC=C1O)C2=O,"InChI=1S/C16H12O4/c1-8-6-10-14(12(7-8)20-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3",KVRUANCWPQJDMF,UHFFFAOYSA,N,8-Hydroxy-1-methoxy-3-methylanthraquinone,KVRUANCWPQJDMF-UHFFFAOYSA-N
HMDB33037,354.110338308,C20H18O6,CC(C)\C=C\C1=C(O)C2=C(OC(=CC2=O)C2=C(O)C=C(O)C=C2)C=C1O,"InChI=1S/C20H18O6/c1-10(2)3-5-13-15(23)8-18-19(20(13)25)16(24)9-17(26-18)12-6-4-11(21)7-14(12)22/h3-10,21-23,25H,1-2H3/b5-3+",BEALEKDGCXYWLB,HWKANZROSA,N,Isoartocarpesin,BEALEKDGCXYWLB-HWKANZROSA-N
HMDB33038,700.142820226,C36H28O15,OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C2=C1C=C(C=C(O)C2=O)C(=O)OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C(O)=C2,"InChI=1S/C36H28O15/c37-16-8-21(39)19-11-27(45)35(50-29(19)9-16)18-10-26(44)33(47)31-17(18)3-15(6-25(43)32(31)46)36(48)51-30-7-14-5-23(41)24(42)12-28(14)49-34(30)13-1-2-20(38)22(40)4-13/h1-6,8-10,12,27,30,34-35,37-42,44-45,47H,7,11H2,(H,43,46)",SEDUYIBVUMLAFJ,UHFFFAOYSA,N,Theaflavate B,SEDUYIBVUMLAFJ-UHFFFAOYSA-N
HMDB33039,682.356441814,C35H54O13,CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1,"InChI=1S/C35H54O13/c1-17-30(48-31-29(41)28(40)27(39)24(15-36)47-31)23(37)13-26(45-17)46-19-4-8-32(2)21-5-9-33(3)20(18-12-25(38)44-16-18)7-11-35(33,43)22(21)6-10-34(32,42)14-19/h12,17,19-24,26-31,36-37,39-43H,4-11,13-16H2,1-3H3",ZOSJMTBTUZXPSR,UHFFFAOYSA,N,Corchorusoside C,ZOSJMTBTUZXPSR-UHFFFAOYSA-N
HMDB33040,224.07271271,C9H20S3,CCCSSC(CC)SCCC,"InChI=1S/C9H20S3/c1-4-7-10-9(6-3)12-11-8-5-2/h9H,4-8H2,1-3H3",NPIXBDUKSDQMKL,UHFFFAOYSA,N,Propyl 1-(propylthio)propyl disulfide,NPIXBDUKSDQMKL-UHFFFAOYSA-N
HMDB33041,222.057062646,C9H18S3,CCCSSC(CC)S\C=C\C,"InChI=1S/C9H18S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4,7,9H,5-6,8H2,1-3H3/b7-4+",HWAMRUBZEUCVAJ,QPJJXVBHSA,N,1-(1-Propenylthio)propyl propyl disulfide,HWAMRUBZEUCVAJ-QPJJXVBHSA-N
HMDB33042,168.010112454,C5H12S3,CCC(SC)SSC,"InChI=1S/C5H12S3/c1-4-5(6-2)8-7-3/h5H,4H2,1-3H3",OGKCJWOOFUPRSV,UHFFFAOYSA,N,Methyl 1-(methylthio)propyl disulfide,OGKCJWOOFUPRSV-UHFFFAOYSA-N
HMDB33043,194.025762518,C7H14S3,CCC(SSC)S\C=C\C,"InChI=1S/C7H14S3/c1-4-6-9-7(5-2)10-8-3/h4,6-7H,5H2,1-3H3/b6-4+",MLJHEPZOIZWECP,GQCTYLIASA,N,Methyl 1-(1-propenylthio)propyl disulfide,MLJHEPZOIZWECP-GQCTYLIASA-N
HMDB33044,196.041412582,C7H16S3,CCCSSC(CC)SC,"InChI=1S/C7H16S3/c1-4-6-9-10-7(5-2)8-3/h7H,4-6H2,1-3H3",RBSQCQCFXKACSX,UHFFFAOYSA,N,1-(Methylthio)propyl propyl disulfide,RBSQCQCFXKACSX-UHFFFAOYSA-N
HMDB33045,196.041412582,C7H16S3,CCSSC(CC)SCC,"InChI=1S/C7H16S3/c1-4-7(8-5-2)10-9-6-3/h7H,4-6H2,1-3H3",WWQMZZWQEKRNPT,UHFFFAOYSA,N,Ethyl 1-(ethylthio)propyl disulfide,WWQMZZWQEKRNPT-UHFFFAOYSA-N
HMDB33046,168.010112454,C5H12S3,CCSSC(C)SC,"InChI=1S/C5H12S3/c1-4-7-8-5(2)6-3/h5H,4H2,1-3H3",WRPNBPGYWFLJHH,UHFFFAOYSA,N,Ethyl 1-(methylthio)ethyl disulfide,WRPNBPGYWFLJHH-UHFFFAOYSA-N
HMDB33047,153.99446239,C4H10S3,CCSSCSC,"InChI=1S/C4H10S3/c1-3-6-7-4-5-2/h3-4H2,1-2H3",LGRRPFGGSKUKDE,UHFFFAOYSA,N,Ethyl (methylthio)methyl disulfide,LGRRPFGGSKUKDE-UHFFFAOYSA-N
HMDB33048,210.057062646,C8H18S3,CCCSC(CC)SSCC,"InChI=1S/C8H18S3/c1-4-7-9-8(5-2)11-10-6-3/h8H,4-7H2,1-3H3",RUSQALPVLQHISO,UHFFFAOYSA,N,Ethyl 1-(propylthio)propyl disulfide,RUSQALPVLQHISO-UHFFFAOYSA-N
HMDB33049,210.057062646,C8H18S3,CCCCSSC(CC)SC,"InChI=1S/C8H18S3/c1-4-6-7-10-11-8(5-2)9-3/h8H,4-7H2,1-3H3",UPAOYAAHONYLHZ,UHFFFAOYSA,N,Butyl 1-(methylthio)propyl disulfide,UPAOYAAHONYLHZ-UHFFFAOYSA-N
HMDB33050,164.069341892,C7H16S2,CCCCSSC(C)C,"InChI=1S/C7H16S2/c1-4-5-6-8-9-7(2)3/h7H,4-6H2,1-3H3",HODYAASMHKKQBS,UHFFFAOYSA,N,Butyl isopropyl disulfide,HODYAASMHKKQBS-UHFFFAOYSA-N
HMDB33051,164.069341892,C7H16S2,CCCCSSCCC,"InChI=1S/C7H16S2/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3",VITWKRWSBFUVDT,UHFFFAOYSA,N,Butyl propyl disulfide,VITWKRWSBFUVDT-UHFFFAOYSA-N
HMDB33052,120.006741636,C4H8S2,CCSSC=C,"InChI=1S/C4H8S2/c1-3-5-6-4-2/h3H,1,4H2,2H3",RGLOFSOIVYOLPM,UHFFFAOYSA,N,Ethyl vinyl disulfide,RGLOFSOIVYOLPM-UHFFFAOYSA-N
HMDB33053,136.038041764,C5H12S2,CCCSSCC,"InChI=1S/C5H12S2/c1-3-5-7-6-4-2/h3-5H2,1-2H3",SNGRPWPVGSSZGV,UHFFFAOYSA,N,Ethyl propyl disulfide,SNGRPWPVGSSZGV-UHFFFAOYSA-N
HMDB33054,136.038041764,C5H12S2,CCSSC(C)C,"InChI=1S/C5H12S2/c1-4-6-7-5(2)3/h5H,4H2,1-3H3",PUUCPZKSTXFGOC,UHFFFAOYSA,N,Ethyl isopropyl disulfide,PUUCPZKSTXFGOC-UHFFFAOYSA-N
HMDB33055,182.025762518,C6H14S3,CCSSC(C)SCC,"InChI=1S/C6H14S3/c1-4-7-6(3)9-8-5-2/h6H,4-5H2,1-3H3",WTPKMZOVHXHDKV,UHFFFAOYSA,N,Ethyl 1-(ethylthio)ethyl disulfide,WTPKMZOVHXHDKV-UHFFFAOYSA-N
HMDB33056,168.010112454,C5H12S3,CCSCSSCC,"InChI=1S/C5H12S3/c1-3-6-5-8-7-4-2/h3-5H2,1-2H3",YGYNDKHXDUVYFE,UHFFFAOYSA,N,Ethyl (ethylthio)methyl disulfide,YGYNDKHXDUVYFE-UHFFFAOYSA-N
HMDB33057,168.010112454,C5H12S3,CCSC(C)SSC,"InChI=1S/C5H12S3/c1-4-7-5(2)8-6-3/h5H,4H2,1-3H3",XWQPCQCRQYDVNO,UHFFFAOYSA,N,1-(Ethylthio)ethyl methyl disulfide,XWQPCQCRQYDVNO-UHFFFAOYSA-N
HMDB33058,210.02067714,C7H14OS3,CCC(SS\C=C\C)S(C)=O,"InChI=1S/C7H14OS3/c1-4-6-9-10-7(5-2)11(3)8/h4,6-7H,5H2,1-3H3/b6-4+",MKOPLMYOMZFPLE,GQCTYLIASA,N,1-(Methylsulfinyl)propyl 1-propenyl disulfide,MKOPLMYOMZFPLE-GQCTYLIASA-N
HMDB33059,210.02067714,C7H14OS3,CCC(SSCC=C)S(C)=O,"InChI=1S/C7H14OS3/c1-4-6-9-10-7(5-2)11(3)8/h4,7H,1,5-6H2,2-3H3",KXIXFNYJZWZCNG,UHFFFAOYSA,N,1-(Methylsulfinyl)propyl 2-propenyl disulfide,KXIXFNYJZWZCNG-UHFFFAOYSA-N
HMDB33060,265.073893223,C16H11NO3,COC1=CC2=C3C(NC2=O)=CC2=C(C=CC=C2)C3=C1O,"InChI=1S/C16H11NO3/c1-20-12-7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15(12)18/h2-7,18H,1H3,(H,17,19)",KBGNBPGXVKPRQI,UHFFFAOYSA,N,Piperolactam A,KBGNBPGXVKPRQI-UHFFFAOYSA-N
HMDB33061,212.036327204,C7H16OS3,CCCSSC(CC)S(C)=O,"InChI=1S/C7H16OS3/c1-4-6-9-10-7(5-2)11(3)8/h7H,4-6H2,1-3H3",SEEVCAXKLHCWMN,UHFFFAOYSA,N,1-(Methylsulfinyl)propyl propyl disulfide,SEEVCAXKLHCWMN-UHFFFAOYSA-N
HMDB33062,236.036327204,C9H16OS3,CCC(SSCC=C)S(=O)CC=C,"InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,9H,1-2,6-8H2,3H3",SNOBYLKVQZUQSL,UHFFFAOYSA,N,2-Propenyl 1-(2-propenylsulfinyl)propyl disulfide,SNOBYLKVQZUQSL-UHFFFAOYSA-N
HMDB33063,384.163161738,C15H28O11,CC(O)C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C15H28O11/c1-6(17)7(2)25-13-11(20)10(19)9(18)8(26-13)3-23-14-12(21)15(22,4-16)5-24-14/h6-14,16-22H,3-5H2,1-2H3",IXOASERJLNPXSS,UHFFFAOYSA,N,"2,3-Butanediol apiosylglucoside",IXOASERJLNPXSS-UHFFFAOYSA-N
HMDB33064,248.125988372,C11H20O6,C\C=C(/C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C11H20O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h3,7-15H,4-5H2,1-2H3/b6-3+",RQSHFEQQQBCYNX,ZZXKWVIFSA,N,(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside,RQSHFEQQQBCYNX-ZZXKWVIFSA-N
HMDB33065,238.10525293,C9H18O7,CC(O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C9H18O7/c1-4(11)3-15-9-8(14)7(13)6(12)5(2-10)16-9/h4-14H,2-3H2,1H3",AJLVEHFNMNRXNI,UHFFFAOYSA,N,"(x)-1,2-Propanediol 1-O-b-D-glucopyranoside",AJLVEHFNMNRXNI-UHFFFAOYSA-N
HMDB33066,344.147117744,C16H24O8,COC1=CC=C(C=C1)C(OC1OC(CO)C(O)C(O)C1O)C(C)O,"InChI=1S/C16H24O8/c1-8(18)15(9-3-5-10(22-2)6-4-9)24-16-14(21)13(20)12(19)11(7-17)23-16/h3-6,8,11-21H,7H2,1-2H3",IBLFDTIZHJLTIF,UHFFFAOYSA,N,(-)-erythro-Anethole glycol 1-glucoside,IBLFDTIZHJLTIF-UHFFFAOYSA-N
HMDB33067,344.147117744,C16H24O8,COC1=CC=C(C=C1)C(O)C(C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H24O8/c1-8(12(18)9-3-5-10(22-2)6-4-9)23-16-15(21)14(20)13(19)11(7-17)24-16/h3-6,8,11-21H,7H2,1-2H3",JYWSARFDLXXOHT,UHFFFAOYSA,N,(-)-erythro-Anethole glycol 2-glucoside,JYWSARFDLXXOHT-UHFFFAOYSA-N
HMDB33068,330.13146768,C15H22O8,CC(O)C(O)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C15H22O8/c1-7(17)11(18)8-2-4-9(5-3-8)22-15-14(21)13(20)12(19)10(6-16)23-15/h2-5,7,10-21H,6H2,1H3",IVGOVXXPQSIWEF,UHFFFAOYSA,N,(±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4'-glucoside,IVGOVXXPQSIWEF-UHFFFAOYSA-N
HMDB33069,406.081930669,C20H19ClO7,COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(Cl)C(OC)=C2O1,"InChI=1S/C20H19ClO7/c1-23-11-8-6-10(7-9-11)15-20(27-5)14(22)12-16(24-2)18(25-3)13(21)19(26-4)17(12)28-15/h6-9H,1-5H3",XHKNIXRPLGLVRM,UHFFFAOYSA,N,"7-Chloro-3,4',5,6,8-pentamethoxyflavone",XHKNIXRPLGLVRM-UHFFFAOYSA-N
HMDB33070,852.153778842,C43H32O19,OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C2=C1C=C(C=C(O)C2=O)C(=O)OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C(O)=C2,"InChI=1S/C43H32O19/c44-19-10-24(46)22-13-35(62-43(58)18-7-28(50)37(54)29(51)8-18)41(60-33(22)11-19)21-12-31(53)39(56)36-20(21)3-17(6-30(52)38(36)55)42(57)61-34-9-16-5-26(48)27(49)14-32(16)59-40(34)15-1-2-23(45)25(47)4-15/h1-8,10-12,14,34-35,40-41,44-51,53-54,56H,9,13H2,(H,52,55)",KGGRZHUCKSNYST,UHFFFAOYSA,N,Theaflavate A,KGGRZHUCKSNYST-UHFFFAOYSA-N
HMDB33071,240.067627332,C9H20OS3,CCCSSC(CC)S(=O)CCC,"InChI=1S/C9H20OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h9H,4-8H2,1-3H3",NIBWKLISDHVING,UHFFFAOYSA,N,Propyl 1-(propylsulfinyl)propyl disulfide,NIBWKLISDHVING-UHFFFAOYSA-N
HMDB33072,222.057062646,C9H18S3,CCCSC(CC)SS\C=C\C,"InChI=1S/C9H18S3/c1-4-7-10-9(6-3)12-11-8-5-2/h5,8-9H,4,6-7H2,1-3H3/b8-5+",ZJSMHYXMALNRQK,VMPITWQZSA,N,(E)-1-Propenyl 1-(propylthio)propyl disulfide,ZJSMHYXMALNRQK-VMPITWQZSA-N
HMDB33073,238.051977268,C9H18OS3,CCCS(=O)C(CC)SS\C=C\C,"InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4,7,9H,5-6,8H2,1-3H3/b7-4+",SNJBWARSGMEACP,QPJJXVBHSA,N,1-Propenyl 1-(propylsulfinyl)propyl disulfide,SNJBWARSGMEACP-QPJJXVBHSA-N
HMDB33074,238.051977268,C9H18OS3,CCCSSC(CC)S(=O)\C=C\C,"InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h5,8-9H,4,6-7H2,1-3H3/b8-5+",HIHJEOZFTWFLTC,VMPITWQZSA,N,1-(1-Propenylsulfinyl)propyl propyl disulfide,HIHJEOZFTWFLTC-VMPITWQZSA-N
HMDB33075,184.005027076,C5H12OS3,CCC(SSC)S(C)=O,"InChI=1S/C5H12OS3/c1-4-5(8-7-2)9(3)6/h5H,4H2,1-3H3",BBBAHSPHKVIDRN,UHFFFAOYSA,N,Methyl 1-(methylsulfinyl)propyl disulfide,BBBAHSPHKVIDRN-UHFFFAOYSA-N
HMDB33076,210.02067714,C7H14OS3,CCC(SSC)S(=O)CC=C,"InChI=1S/C7H14OS3/c1-4-6-11(8)7(5-2)10-9-3/h4,7H,1,5-6H2,2-3H3",GAWXJHIAHXEHDI,UHFFFAOYSA,N,Methyl 1-(2-propenylsulfinyl)propyl disulfide,GAWXJHIAHXEHDI-UHFFFAOYSA-N
HMDB33077,210.02067714,C7H14OS3,CCC(SSC)S(=O)\C=C\C,"InChI=1S/C7H14OS3/c1-4-6-11(8)7(5-2)10-9-3/h4,6-7H,5H2,1-3H3/b6-4+",RJQFKDCPAKLDFD,GQCTYLIASA,N,Methyl 1-(1-propenylsulfinyl)propyl disulfide,RJQFKDCPAKLDFD-GQCTYLIASA-N
HMDB33078,572.371304018,C34H52O7,CC(CC\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3O,"InChI=1S/C34H52O7/c1-19(11-10-12-20(2)30(38)39)24-17-28(41-22(4)36)34(9)29-23(13-16-33(24,34)8)32(7)15-14-27(40-21(3)35)31(5,6)26(32)18-25(29)37/h12,19,24-28,37H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12-",DIXZQXARJMRUPX,NDENLUEZSA,N,Ganoderic acid W,DIXZQXARJMRUPX-NDENLUEZSA-N
HMDB33079,528.345089268,C32H48O6,CC(CC\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3O,"InChI=1S/C32H48O6/c1-18(10-9-11-19(2)28(36)37)22-16-26(38-20(3)33)32(8)27-21(12-15-31(22,32)7)30(6)14-13-25(35)29(4,5)24(30)17-23(27)34/h11,18,22-24,26,34H,9-10,12-17H2,1-8H3,(H,36,37)/b19-11-",KUXMNDKEYFTKBS,ODLFYWEKSA,N,Ganoderic acid V,KUXMNDKEYFTKBS-ODLFYWEKSA-N
HMDB33080,430.23553882,C25H34O6,CC(C)C1=C2C3CC=C4C5C(OC6OCC(O)(C4O)C(=O)C56O)C3(C)CCC2(C)CC1,"InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-19,21,26,28-29H,6-11H2,1-4H3",YHVXQLPNJVSDTP,UHFFFAOYSA,N,Antibiotic CJ 15544,YHVXQLPNJVSDTP-UHFFFAOYSA-N
HMDB33081,430.23553882,C25H34O6,CC(C)C1=C2C3CC=C4C5C(OC6OCC(O)(C4O)C(O)C56O)C3(C)CCC2(C)C=C1,"InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,7-8,12,15,17-21,26-29H,6,9-11H2,1-4H3",IFVVQPINBOCQHT,UHFFFAOYSA,N,Antibiotic CP 412065,IFVVQPINBOCQHT-UHFFFAOYSA-N
HMDB33082,330.13146768,C15H22O8,OCC(O)CC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C15H22O8/c16-6-9(18)5-8-1-3-10(4-2-8)22-15-14(21)13(20)12(19)11(7-17)23-15/h1-4,9,11-21H,5-7H2",UBOMSXSQLRMBSD,UHFFFAOYSA,N,"(±)-3-(4-Hydroxyphenyl)-1,2-propanediol 4'-O-glucoside",UBOMSXSQLRMBSD-UHFFFAOYSA-N
HMDB33083,236.177630012,C15H24O2,CC(O)CCC1C2CC(=C(C)C)C(=O)CC12C,"InChI=1S/C15H24O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h10,12-13,16H,5-8H2,1-4H3",OQZCUYXRSFWCJU,UHFFFAOYSA,N,(4S)-Dihydrocurcumenone,OQZCUYXRSFWCJU-UHFFFAOYSA-N
HMDB33084,369.157622851,C21H23NO5,COC1=C(OC)C=C2C(=C1)C(O)=C1N(C)CCC3=CC(OC)=C(OC)C2=C13,"InChI=1S/C21H23NO5/c1-22-7-6-11-8-16(26-4)21(27-5)18-12-9-14(24-2)15(25-3)10-13(12)20(23)19(22)17(11)18/h8-10,23H,6-7H2,1-5H3",XTYGTYHSWAJTPX,UHFFFAOYSA,N,7-Hydroxydehydroglaucine,XTYGTYHSWAJTPX-UHFFFAOYSA-N
HMDB33085,698.351356436,C35H54O14,CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(CO)C(CCC3C2C(O)CC2(C)C(CCC32O)C2=CC(=O)OC2)C1,"InChI=1S/C35H54O14/c1-16-31(49-32-30(43)29(42)28(41)24(13-36)48-32)22(38)11-26(46-16)47-19-5-7-34(15-37)18(10-19)3-4-21-27(34)23(39)12-33(2)20(6-8-35(21,33)44)17-9-25(40)45-14-17/h9,16,18-24,26-32,36-39,41-44H,3-8,10-15H2,1-2H3",JDZAOLKPOCCARR,UHFFFAOYSA,N,Corchorusoside D,JDZAOLKPOCCARR-UHFFFAOYSA-N
HMDB33086,368.125988372,C21H20O6,COC1=C(O)C=CC(\C=C\C2=CC(=O)CC(O2)C2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C21H20O6/c1-25-20-9-13(4-7-17(20)23)3-6-16-11-15(22)12-19(27-16)14-5-8-18(24)21(10-14)26-2/h3-11,19,23-24H,12H2,1-2H3/b6-3+",IZLBLUIBVMGMIY,ZZXKWVIFSA,N,Cyclocurcumin,IZLBLUIBVMGMIY-ZZXKWVIFSA-N
HMDB33087,614.475769088,C35H66O8,CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H66O8/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33(40)23-24-34(41)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)43-35(28)42/h25,27,29-34,36-41H,3-24,26H2,1-2H3",IRCFRVYGUCFTPA,UHFFFAOYSA,N,Donhexocin,IRCFRVYGUCFTPA-UHFFFAOYSA-N
HMDB33088,258.05282343,C14H10O5,OC1=C(O)C=C(C=C1)C1OC2=C(O1)C=C(C=O)C=C2,"InChI=1S/C14H10O5/c15-7-8-1-4-12-13(5-8)19-14(18-12)9-2-3-10(16)11(17)6-9/h1-7,14,16-17H",GVZIWSSFZNAGTN,UHFFFAOYSA,N,"(±)-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde",GVZIWSSFZNAGTN-UHFFFAOYSA-N
HMDB33089,572.407689524,C35H56O6,CCC(\C=C\C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)=C,"InChI=1S/C35H56O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,21-24,26-33,36-39H,2,7,10,12-19H2,1,3-6H3/b9-8+",XUUMFDUVFVNHSM,CMDGGOBGSA,N,"(3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-glucoside",XUUMFDUVFVNHSM-CMDGGOBGSA-N
HMDB33090,274.15689457,C17H22O3,CCCCC\C=C\C(=O)\C=C/C1=CC(OC)=C(O)C=C1,"InChI=1S/C17H22O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-13,19H,3-6H2,1-2H3/b8-7+,11-9-",JLXKTAQNHHXFHL,OHFYBLQUSA,N,[6]-Dehydroshogaol,JLXKTAQNHHXFHL-OHFYBLQUSA-N
HMDB33091,200.068473494,C9H12O5,C\C=C(/C=O)C(CC(O)=O)CC(O)=O,"InChI=1S/C9H12O5/c1-2-6(5-10)7(3-8(11)12)4-9(13)14/h2,5,7H,3-4H2,1H3,(H,11,12)(H,13,14)/b6-2+",IVZLDVMNNVAWDA,QHHAFSJGSA,N,(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid,IVZLDVMNNVAWDA-QHHAFSJGSA-N
HMDB33092,202.084123558,C9H14O5,C\C=C(/CO)C(CC(O)=O)CC(O)=O,"InChI=1S/C9H14O5/c1-2-6(5-10)7(3-8(11)12)4-9(13)14/h2,7,10H,3-5H2,1H3,(H,11,12)(H,13,14)/b6-2+",FUMUSIMACHNZQF,QHHAFSJGSA,N,3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid,FUMUSIMACHNZQF-QHHAFSJGSA-N
HMDB33093,198.089208936,C10H14O4,COC1=C(O)C=CC(CC(O)CO)=C1,"InChI=1S/C10H14O4/c1-14-10-5-7(2-3-9(10)13)4-8(12)6-11/h2-3,5,8,11-13H,4,6H2,1H3",QGFJORGLNPWXMK,UHFFFAOYSA,N,"3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol",QGFJORGLNPWXMK-UHFFFAOYSA-N
HMDB33094,346.14297584,C20H18N4O2,OC1=CC=C(C(CC2=NC=CN2)=C1)C1=C(O)C=CC(CC2=NC=CN2)=C1,"InChI=1S/C20H18N4O2/c25-15-2-3-16(14(11-15)12-20-23-7-8-24-20)17-9-13(1-4-18(17)26)10-19-21-5-6-22-19/h1-9,11,25-26H,10,12H2,(H,21,22)(H,23,24)",XQANLWORMFUCPG,UHFFFAOYSA,N,Lepidine F,XQANLWORMFUCPG-UHFFFAOYSA-N
HMDB33095,346.14297584,C20H18N4O2,OC1=C(OC2=CC=CC(CC3=NC=CN3)=C2)C=C(CC2=NC=CN2)C=C1,"InChI=1S/C20H18N4O2/c25-17-5-4-15(13-20-23-8-9-24-20)11-18(17)26-16-3-1-2-14(10-16)12-19-21-6-7-22-19/h1-11,25H,12-13H2,(H,21,22)(H,23,24)",TYCLBPSZSGTWCX,UHFFFAOYSA,N,Lepidine E,TYCLBPSZSGTWCX-UHFFFAOYSA-N
HMDB33096,236.068473494,C12H12O5,COC1=C2OCOC2=C(OC)C(\C=C\C=O)=C1,"InChI=1S/C12H12O5/c1-14-9-6-8(4-3-5-13)10(15-2)12-11(9)16-7-17-12/h3-6H,7H2,1-2H3/b4-3+",WTHYSOXPCHPBOG,ONEGZZNKSA,N,Apional,WTHYSOXPCHPBOG-ONEGZZNKSA-N
HMDB33097,411.168187537,C23H25NO6,COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=C(OC)C3=C1C(N(C)CC3)=C2C=O,"InChI=1S/C23H25NO6/c1-24-8-7-12-18-19(22(29-5)23(30-6)21(12)28-4)14-10-17(27-3)16(26-2)9-13(14)15(11-25)20(18)24/h9-11H,7-8H2,1-6H3",JSQVAGZIQIKFIG,UHFFFAOYSA,N,7-Formyldehydrothalicsimidine,JSQVAGZIQIKFIG-UHFFFAOYSA-N
HMDB33098,430.126382302,C22H22O9,COC1=C(OC2OC(C)C(O)C(O)C2O)C2=C(OC(=CC2=O)C2=CC=CC=C2)C=C1O,"InChI=1S/C22H22O9/c1-10-17(25)18(26)19(27)22(29-10)31-21-16-12(23)8-14(11-6-4-3-5-7-11)30-15(16)9-13(24)20(21)28-2/h3-10,17-19,22,24-27H,1-2H3",NNXFUYOQDUBSHH,UHFFFAOYSA,N,"5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside",NNXFUYOQDUBSHH-UHFFFAOYSA-N
HMDB33099,406.178023942,C25H26O5,CC(C)=CCC1=CC(=CC=C1O)C1OC2=C(C=CC3=C2C=CC(C)(C)O3)C(=O)C1O,"InChI=1S/C25H26O5/c1-14(2)5-6-15-13-16(7-9-19(15)26)23-22(28)21(27)18-8-10-20-17(24(18)29-23)11-12-25(3,4)30-20/h5,7-13,22-23,26,28H,6H2,1-4H3",IOXLCTZITMJUKD,UHFFFAOYSA,N,Kanzonol Z,IOXLCTZITMJUKD-UHFFFAOYSA-N
HMDB33100,326.07903818,C18H14O6,CC1(C)OC2=C(O)C3=C(C(O)=C2C=C1)C(=O)C1=C(O3)C=CC(O)=C1,"InChI=1S/C18H14O6/c1-18(2)6-5-9-13(20)12-14(21)10-7-8(19)3-4-11(10)23-17(12)15(22)16(9)24-18/h3-7,19-20,22H,1-2H3",LPOCFPIHJNBUIN,UHFFFAOYSA,N,Atroviridin,LPOCFPIHJNBUIN-UHFFFAOYSA-N
HMDB33101,594.15847029,C27H30O15,CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O15/c1-9-17(30)20(33)23(36)26(38-9)40-12-6-13(29)16-14(7-12)41-25(22(35)19(16)32)10-2-4-11(5-3-10)39-27-24(37)21(34)18(31)15(8-28)42-27/h2-7,9,15,17-18,20-21,23-24,26-31,33-37H,8H2,1H3",FYZRTNFFTKNBKH,UHFFFAOYSA,N,Kaempferol 4'-glucoside 7-rhamnoside,FYZRTNFFTKNBKH-UHFFFAOYSA-N
HMDB33102,210.125594442,C12H18O3,CCCCC\C=C\CC1CC(=O)OC1=O,"InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h6-7,10H,2-5,8-9H2,1H3/b7-6+",WSGFXVFLWVXTCJ,VOTSOKGWSA,N,"Dihydro-3-(2-octenyl)-2,5-furandione",WSGFXVFLWVXTCJ-VOTSOKGWSA-N
HMDB33103,271.120843415,C16H17NO3,OC1=CC=C(CC2NCCC3=C2C=C(O)C(O)=C3)C=C1,"InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2",WZRCQWQRFZITDX,UHFFFAOYSA,N,(R)-Higenamine,WZRCQWQRFZITDX-UHFFFAOYSA-N
HMDB33104,236.177630012,C15H24O2,CC1CCC2C11CC(C)(CC1O)C(=O)C2(C)C,"InChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3",DDUWSZBURGHFEW,UHFFFAOYSA,N,Calamensesquiterpinenol,DDUWSZBURGHFEW-UHFFFAOYSA-N
HMDB33105,322.13761569,C12H22N2O8,NCCCCC(NC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O,"InChI=1S/C12H22N2O8/c13-4-2-1-3-5(11(18)19)14-10-8(17)6(15)7(16)9(22-10)12(20)21/h5-10,14-17H,1-4,13H2,(H,18,19)(H,20,21)",HFIFPDNTHBGIPX,UHFFFAOYSA,N,N2-Galacturonyl-L-lysine,HFIFPDNTHBGIPX-UHFFFAOYSA-N
HMDB33106,322.13761569,C12H22N2O8,NC(CCCCNC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O,"InChI=1S/C12H22N2O8/c13-5(11(18)19)3-1-2-4-14-10-8(17)6(15)7(16)9(22-10)12(20)21/h5-10,14-17H,1-4,13H2,(H,18,19)(H,20,21)",CFQJLIHMLCPJQF,UHFFFAOYSA,N,N6-Galacturonyl-L-lysine,CFQJLIHMLCPJQF-UHFFFAOYSA-N
HMDB33107,336.132136382,C16H20N2O6,OCC1OC(OC2=CC=C(CC3=NC=CN3)C=C2)C(O)C(O)C1O,"InChI=1S/C16H20N2O6/c19-8-11-13(20)14(21)15(22)16(24-11)23-10-3-1-9(2-4-10)7-12-17-5-6-18-12/h1-6,11,13-16,19-22H,7-8H2,(H,17,18)",PVXWBKJKWJZGQJ,UHFFFAOYSA,N,Semilepidinoside A,PVXWBKJKWJZGQJ-UHFFFAOYSA-N
HMDB33108,366.142701068,C17H22N2O7,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(CC2=NC=CN2)=C1,"InChI=1S/C17H22N2O7/c1-24-11-6-9(7-13-18-4-5-19-13)2-3-10(11)25-17-16(23)15(22)14(21)12(8-20)26-17/h2-6,12,14-17,20-23H,7-8H2,1H3,(H,18,19)",ASPNXCICLVYQCJ,UHFFFAOYSA,N,Semilepidinoside B,ASPNXCICLVYQCJ-UHFFFAOYSA-N
HMDB33109,234.089208936,C13H14O4,COC(=O)C1=CC2=C(OC(C2O)C(C)=C)C=C1,"InChI=1S/C13H14O4/c1-7(2)12-11(14)9-6-8(13(15)16-3)4-5-10(9)17-12/h4-6,11-12,14H,1H2,2-3H3",ZQTUKLOPEQEDKS,UHFFFAOYSA,N,"Methyl (2R*,3S*)-2,3-dihydro-3-hydroxy-2-isopropenyl-5-benzofurancarboxylate",ZQTUKLOPEQEDKS-UHFFFAOYSA-N
HMDB33110,332.18350325,C16H28O7,CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O7/c1-15(2)8-4-5-16(3,23-15)10(6-8)22-14-13(20)12(19)11(18)9(7-17)21-14/h8-14,17-20H,4-7H2,1-3H3",NWZYTZHMCGWGOF,UHFFFAOYSA,N,"(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside",NWZYTZHMCGWGOF-UHFFFAOYSA-N
HMDB33111,330.167853186,C16H26O7,CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H26O7/c1-8-4-9(18)5-16(2,3)10(8)7-22-15-14(21)13(20)12(19)11(6-17)23-15/h4,10-15,17,19-21H,5-7H2,1-3H3",FOONTNRMWNJWCL,UHFFFAOYSA,N,Epijasminoside A,FOONTNRMWNJWCL-UHFFFAOYSA-N
HMDB33112,94.053098202,C5H6N2,CC1=CN=CC=N1,"InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3",CAWHJQAVHZEVTJ,UHFFFAOYSA,N,Methylpyrazine,CAWHJQAVHZEVTJ-UHFFFAOYSA-N
HMDB33113,81.057849229,C5H7N,CN1C=CC=C1,"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3",OXHNLMTVIGZXSG,UHFFFAOYSA,N,1-Methylpyrrole,OXHNLMTVIGZXSG-UHFFFAOYSA-N
HMDB33114,81.057849229,C5H7N,CC1=CC=CN1,"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3",TVCXVUHHCUYLGX,UHFFFAOYSA,N,2-Methylpyrrole,TVCXVUHHCUYLGX-UHFFFAOYSA-N
HMDB33115,143.073499293,C10H9N,CC1=CC2=C(C=C1)N=CC=C2,"InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3",LUYISICIYVKBTA,UHFFFAOYSA,N,6-Methylquinoline,LUYISICIYVKBTA-UHFFFAOYSA-N
HMDB33116,99.014269855,C4H5NS,CC1=CSC=N1,"InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3",QMHIMXFNBOYPND,UHFFFAOYSA,N,4-Methylthiazole,QMHIMXFNBOYPND-UHFFFAOYSA-N
HMDB33117,99.014269855,C4H5NS,CC1=CN=CS1,"InChI=1S/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H3",RLYUNPNLXMSXAX,UHFFFAOYSA,N,5-Methylthiazole,RLYUNPNLXMSXAX-UHFFFAOYSA-N
HMDB33118,98.019020882,C5H6S,CC1=CC=CS1,"InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3",XQQBUAPQHNYYRS,UHFFFAOYSA,N,2-Methylthiophene,XQQBUAPQHNYYRS-UHFFFAOYSA-N
HMDB33119,98.019020882,C5H6S,CC1=CSC=C1,"InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3",QENGPZGAWFQWCZ,UHFFFAOYSA,N,3-Methylthiophene,QENGPZGAWFQWCZ-UHFFFAOYSA-N
HMDB33121,256.053403872,C12H14Cl2N2,[Cl-].[Cl-].C[N+]1=CC=C(C=C1)C1=CC=[N+](C)C=C1,"InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2",FIKAKWIAUPDISJ,UHFFFAOYSA,L,Paraquat dichloride,FIKAKWIAUPDISJ-UHFFFAOYSA-L
HMDB33122,236.094963016,C15H12N2O,O=C1NC(CC2=CC=CC=C2)=NC2=CC=CC=C12,"InChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)",ZDUVLDCZFKNYHH,UHFFFAOYSA,N,Glycosminine,ZDUVLDCZFKNYHH-UHFFFAOYSA-N
HMDB33123,155.073499293,C11H9N,C1=CC=C(C=C1)C1=CC=NC=C1,InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H,JVZRCNQLWOELDU,UHFFFAOYSA,N,4-Phenylpyridine,JVZRCNQLWOELDU-UHFFFAOYSA-N
HMDB33124,1060.57593664,C60H84O16,CC1C(C)C2(CCCO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C=C,"InChI=1S/C60H84O16/c1-7-8-13-34-14-11-17-41-56(65-34)53(63)57-49(69-41)26-43-40(72-57)21-20-38-39(67-43)19-18-37-35(66-38)15-9-10-16-36-45(68-37)28-50(61)59(6)51(71-36)29-46-47(75-59)25-30(2)24-42-44(70-46)27-48-54(73-42)32(4)52(62)58-55(74-48)31(3)33(5)60(76-58)22-12-23-64-60/h7-11,13-14,18-21,30-58,61-63H,1,12,15-17,22-29H2,2-6H3/b10-9-,13-8-",QFYRPKKCVYDHFZ,KHGXCJAJSA,N,Pacific Ciguatoxin 4A,QFYRPKKCVYDHFZ-KHGXCJAJSA-N
HMDB33125,302.188194698,C19H26O3,CCCCCCC\C=C\C(=O)\C=C/C1=CC(OC)=C(O)C=C1,"InChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-15,21H,3-8H2,1-2H3/b10-9+,13-11-",WTJRJJFXDZXSLU,LTCRFSFDSA,N,[8]-Dehydroshogaol,WTJRJJFXDZXSLU-LTCRFSFDSA-N
HMDB33126,330.219494826,C21H30O3,CCCCCCCCC\C=C\C(=O)\C=C/C1=CC(OC)=C(O)C=C1,"InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-17,23H,3-10H2,1-2H3/b12-11+,15-13-",SNJCFSROVQPPGS,UDPMFAINSA,N,[10]-Dehydroshogaol,SNJCFSROVQPPGS-UDPMFAINSA-N
HMDB33127,110.036779436,C6H6O2,CC(=O)C1=CC=CO1,"InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3",IEMMBWWQXVXBEU,UHFFFAOYSA,N,2-Acetylfuran,IEMMBWWQXVXBEU-UHFFFAOYSA-N
HMDB33128,136.0524295,C8H8O2,CC(=O)\C=C/C1=CC=CO1,"InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4-",GBKGJMYPQZODMI,PLNGDYQASA,N,4-(2-Furanyl)-3-buten-2-one,GBKGJMYPQZODMI-PLNGDYQASA-N
HMDB33129,168.042258744,C8H8O4,CC(=O)C1=C(O)C=C(C)OC1=O,"InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3",PKLPQOJFHFGVBS,UHFFFAOYSA,N,3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one,PKLPQOJFHFGVBS-UHFFFAOYSA-N
HMDB33130,140.029585568,C7H8OS,CC(=O)C1=CC=C(C)S1,"InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3",YOSDTJYMDAEEAZ,UHFFFAOYSA,N,2-Acetyl-5-methylthiophene,YOSDTJYMDAEEAZ-UHFFFAOYSA-N
HMDB33131,121.052763851,C7H7NO,CC(=O)C1=CN=CC=C1,"InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3",WEGYGNROSJDEIW,UHFFFAOYSA,N,3-Acetylpyridine,WEGYGNROSJDEIW-UHFFFAOYSA-N
HMDB33132,464.095476104,C21H20O12,CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C21H20O12/c1-6-14(25)17(28)19(30)21(31-6)32-8-4-9(22)13-12(5-8)33-20(18(29)16(13)27)7-2-10(23)15(26)11(24)3-7/h2-6,14,17,19,21-26,28-30H,1H3",LPEPTRFUOKMJCH,UHFFFAOYSA,N,Myricetin 7-rhamnoside,LPEPTRFUOKMJCH-UHFFFAOYSA-N
HMDB33133,126.013935504,C6H6OS,CC(=O)C1=CC=CS1,"InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3",WYJOVVXUZNRJQY,UHFFFAOYSA,N,2-Acetylthiophene,WYJOVVXUZNRJQY-UHFFFAOYSA-N
HMDB33134,126.013935504,C6H6OS,CC(=O)C1=CSC=C1,"InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3",RNIDWJDZNNVFDY,UHFFFAOYSA,N,3-Acetylthiophene,RNIDWJDZNNVFDY-UHFFFAOYSA-N
HMDB33135,199.110947431,C12H13N3,CC1=CC(C)=NC(NC2=CC=CC=C2)=N1,"InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)",ZLIBICFPKPWGIZ,UHFFFAOYSA,N,Pyrimethanil,ZLIBICFPKPWGIZ-UHFFFAOYSA-N
HMDB33136,207.039239051,C7H5N5O3,NC1=NC2=NC=C(N=C2C(=O)N1)C(O)=O,"InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)",QABAUCFGPWONOG,UHFFFAOYSA,N,2-Amino-4-hydroxy-6-pteridinecarboxylic acid,QABAUCFGPWONOG-UHFFFAOYSA-N
HMDB33137,314.100167552,C14H18O8,COC(=O)C1=CC=CC=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C14H18O8/c1-20-13(19)7-4-2-3-5-8(7)21-14-12(18)11(17)10(16)9(6-15)22-14/h2-5,9-12,14-18H,6H2,1H3",ONKIQNFPVXNOBV,UHFFFAOYSA,N,2-Methoxycarbonylphenyl beta-D-glucopyranoside,ONKIQNFPVXNOBV-UHFFFAOYSA-N
HMDB33138,460.15807636,C20H28O12,COC(=O)C1=CC=CC=C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C20H28O12/c1-8-12(21)14(23)16(25)19(30-8)29-7-11-13(22)15(24)17(26)20(32-11)31-10-6-4-3-5-9(10)18(27)28-2/h3-6,8,11-17,19-26H,7H2,1-2H3",CTLIPTKQWTWERE,UHFFFAOYSA,N,Methyl salicylate O-[rhamnosyl-(1->6)-glucoside],CTLIPTKQWTWERE-UHFFFAOYSA-N
HMDB33139,300.068096338,C14H12N4O2S,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=C(C=CC=C2)N=C1,"InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)",NHZLNPMOSADWGC,UHFFFAOYSA,N,Sulfaquinoxaline,NHZLNPMOSADWGC-UHFFFAOYSA-N
HMDB33141,183.079647303,C11H9N3,NC1=NC2=C(C=C1)C1=CC=CC=C1N2,"InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)",FJTNLJLPLJDTRM,UHFFFAOYSA,N,2-Amino-a-carboline,FJTNLJLPLJDTRM-UHFFFAOYSA-N
HMDB33142,300.099773622,C17H16O5,COC1=CC2=C(C=C1)C1COC3=C(C=CC(OC)=C3O)C1O2,"InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-17-11(16(12)22-14(10)7-9)5-6-13(20-2)15(17)18/h3-7,12,16,18H,8H2,1-2H3",YHSXPHNOIMTWTH,UHFFFAOYSA,N,Melilotocarpan A,YHSXPHNOIMTWTH-UHFFFAOYSA-N
HMDB33143,254.126657074,C12H18N2O4,NC(CCCCN1C(CO)=CC=C1C=O)C(O)=O,"InChI=1S/C12H18N2O4/c13-11(12(17)18)3-1-2-6-14-9(7-15)4-5-10(14)8-16/h4-5,7,11,16H,1-3,6,8,13H2,(H,17,18)",VTYFITADLSVOAS,UHFFFAOYSA,N,Pyrraline,VTYFITADLSVOAS-UHFFFAOYSA-N
HMDB33144,934.180387522,C44H38O23,[H][C@@]1(C2=CC(=CC(O)=C2C(=O)C2=C1C=CC=C2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@]1([H])C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)C(O)=O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O,"InChI=1S/C44H38O23/c45-11-23-31(49)35(53)37(55)43(65-23)63-21-5-1-3-15-25(17-7-13(39(56)57)9-19(47)27(17)33(51)29(15)21)26-16-4-2-6-22(30(16)34(52)28-18(26)8-14(40(58)59)10-20(28)48)64-44-38(67-42(62)41(60)61)36(54)32(50)24(12-46)66-44/h1-10,23-26,31-32,35-38,43-50,53-55H,11-12H2,(H,56,57)(H,58,59)(H,60,61)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,43-,44-/m1/s1",WCXZMEMQOKTKSI,WENVHRLESA,N,Sennoside E,WCXZMEMQOKTKSI-WENVHRLESA-N
HMDB33145,424.102584362,C13H16N10O5S,COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=C(C=NN2C)C2=NN(C)N=N2)=N1,"InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)",MAHPNPYYQAIOJN,UHFFFAOYSA,N,Azimsulfuron,MAHPNPYYQAIOJN-UHFFFAOYSA-N
HMDB33146,314.07903818,C17H14O6,OC1=C(O)C=C(\C=C\OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1,"InChI=1S/C17H14O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-10,18-21H/b6-3+,8-7+",GFZFUVWXGQWUGX,ZICOWINBSA,N,"3,4-Dihydroxycinnamoyl-(Z)-2-(3,4-dihydroxyphenyl)ethenol",GFZFUVWXGQWUGX-ZICOWINBSA-N
HMDB33147,429.030995153,C15H13ClFN5O5S,CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(C=CC=C1Cl)C(=O)OC,"InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3",BIKACRYIQSLICJ,UHFFFAOYSA,N,Cloransulam-methyl,BIKACRYIQSLICJ-UHFFFAOYSA-N
HMDB33148,382.141638436,C22H22O6,COC1=C(CC=C(C)C)C2=C(C(O)=C1)C(=O)C=C(O2)C1=C(OC)C=C(O)C=C1,"InChI=1S/C22H22O6/c1-12(2)5-7-15-19(27-4)10-16(24)21-17(25)11-20(28-22(15)21)14-8-6-13(23)9-18(14)26-3/h5-6,8-11,23-24H,7H2,1-4H3",AGQBGLZQKDLJAR,UHFFFAOYSA,N,Artocarpetin B,AGQBGLZQKDLJAR-UHFFFAOYSA-N
HMDB33149,252.172544634,C15H24O3,CC1CC(=O)C=C(C)C11CCC(C1)C(C)(O)CO,"InChI=1S/C15H24O3/c1-10-6-13(17)7-11(2)15(10)5-4-12(8-15)14(3,18)9-16/h6,11-12,16,18H,4-5,7-9H2,1-3H3",FWLWCLDHPUPCHO,UHFFFAOYSA,N,"(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one",FWLWCLDHPUPCHO-UHFFFAOYSA-N
HMDB33150,414.225368064,C21H34O8,CC1CC(=O)C=C(C)C11CCC(C1)C(C)(CO)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H34O8/c1-11-6-14(24)7-12(2)21(11)5-4-13(8-21)20(3,10-23)29-19-18(27)17(26)16(25)15(9-22)28-19/h6,12-13,15-19,22-23,25-27H,4-5,7-10H2,1-3H3",UQEPDFZSKJICHS,UHFFFAOYSA,N,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside",UQEPDFZSKJICHS-UHFFFAOYSA-N
HMDB33151,185.876761416,C3Cl2OS2,ClC1=C(Cl)C(=O)SS1,InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6,QGSRKGWCQSATCL,UHFFFAOYSA,N,"4,5-Dichloro-3H-1,3-dithiol-2-one",QGSRKGWCQSATCL-UHFFFAOYSA-N
HMDB33152,126.025168892,C5H6N2S,CSC1=CN=CC=N1,"InChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3",KBPBOWBQRUXMFV,UHFFFAOYSA,N,2-(Methylthio)pyrazine,KBPBOWBQRUXMFV-UHFFFAOYSA-N
HMDB33153,254.057908808,C15H10O4,OC1=CC=C(\C=C2/OC3=C(C=CC(O)=C3)C2=O)C=C1,"InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-",KEZLDSPIRVZOKZ,AUWJEWJLSA,N,"(Z)-4',6-Dihydroxyaurone",KEZLDSPIRVZOKZ-AUWJEWJLSA-N
HMDB33154,134.08439833,C8H10N2,C1CCC2=C(C1)N=CC=N2,"InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H2",XCZPDOCRSYZOBI,UHFFFAOYSA,N,"5,6,7,8-Tetrahydroquinoxaline",XCZPDOCRSYZOBI-UHFFFAOYSA-N
HMDB33155,127.045569983,C6H9NS,CC1=NC(C)=C(C)S1,InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3,BAMPVSWRQZNDQC,UHFFFAOYSA,N,Trimethylthiazole,BAMPVSWRQZNDQC-UHFFFAOYSA-N
HMDB33156,110.048012824,C5H6N2O,COC1=CN=CC=N1,"InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3",WKSXRWSOSLGSTN,UHFFFAOYSA,N,Methoxypyrazine,WKSXRWSOSLGSTN-UHFFFAOYSA-N
HMDB33157,1102.555989058,C54H86O23,CC1OC(OC2C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(OC2OC2CCC3(C)C(CCC4(C)C3CCC35OCC6(CCC(C)(C)CC36)C(=O)CC45C)C2(C)C)C(O)=O)C(O)C(O)C1O,"InChI=1S/C54H86O23/c1-22-30(58)33(61)35(63)44(70-22)76-41-37(65)40(75-46-38(66)39(32(60)24(20-56)72-46)74-45-36(64)34(62)31(59)23(19-55)71-45)42(43(67)68)77-47(41)73-29-11-12-50(6)25(49(29,4)5)9-13-51(7)26(50)10-14-54-27-17-48(2,3)15-16-53(27,21-69-54)28(57)18-52(51,54)8/h22-27,29-42,44-47,55-56,58-66H,9-21H2,1-8H3,(H,67,68)",PDEIVZBSQXMHKN,UHFFFAOYSA,N,Protoprimulagenin A 3-[glucosyl-(1->3)-galactosyl-(1->4)-[rhamnosyl-(1->2)]-glucuronide],PDEIVZBSQXMHKN-UHFFFAOYSA-N
HMDB33158,1234.634633308,C60H98O26,CC1OC(OC2C(C)OC(OC3C(O)C(OC4OC(C)C(O)C(O)C4O)C(OC4C(O)C(O)C(OC4OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(CCC(C)(C)CC58)C(O)CC67C)C4(C)C)C(O)=O)OC3CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C60H98O26/c1-23-32(63)34(65)39(70)49(77-23)82-43-25(3)79-51(41(72)38(43)69)83-44-26(21-61)80-52(47(42(44)73)85-50-40(71)35(66)33(64)24(2)78-50)86-46-37(68)36(67)45(48(74)75)84-53(46)81-31-13-14-56(8)27(55(31,6)7)11-15-57(9)28(56)12-16-60-29-19-54(4,5)17-18-59(29,22-76-60)30(62)20-58(57,60)10/h23-47,49-53,61-73H,11-22H2,1-10H3,(H,74,75)",GVPGCVCHXXHJLC,UHFFFAOYSA,N,Protoprimulagenin A 3-[rhamnosyl-(1->4)-rhamnosyl-(1->4)-[rhamnosyl-(1->2)]-glucosyl-(1->?)-glucuronide],GVPGCVCHXXHJLC-UHFFFAOYSA-N
HMDB33159,140.029585568,C7H8OS,CCC(=O)C1=CC=CS1,"InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3",MFPZQZZWAMAHOY,UHFFFAOYSA,N,2-Propanoylthiophene,MFPZQZZWAMAHOY-UHFFFAOYSA-N
HMDB33160,126.05032101,C7H10S,CCCC1=CC=CS1,"InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3",BTXIJTYYMLCUHI,UHFFFAOYSA,N,2-Propylthiophene,BTXIJTYYMLCUHI-UHFFFAOYSA-N
HMDB33161,167.021857653,C7H5NO4,OC(=O)C1=CC=CC(=N1)C(O)=O,"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)",WJJMNDUMQPNECX,UHFFFAOYSA,N,"2,6-Pyridinedicarboxylic acid",WJJMNDUMQPNECX-UHFFFAOYSA-N
HMDB33162,416.110732238,C21H20O9,OCC1OC(OC2=CC3=C(C=C2)C(=O)\C(O3)=C\C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-12-5-6-13-14(8-12)29-15(17(13)24)7-10-1-3-11(23)4-2-10/h1-8,16,18-23,25-27H,9H2/b15-7-",GVRZCIYFKOQSQL,CHHVJCJISA,N,"(Z)-4',6-Dihydroxyaurone 6-glucoside",GVRZCIYFKOQSQL-CHHVJCJISA-N
HMDB33163,186.042927446,C10H6N2O2,O=C1N2C=CC=C2C(=O)N2C=CC=C12,InChI=1S/C10H6N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h1-6H,USCZWOZHDDOBHQ,UHFFFAOYSA,N,Pyrocoll,USCZWOZHDDOBHQ-UHFFFAOYSA-N
HMDB33164,508.230847372,C26H36O10,CC(C)CC(=O)OC1CC2(COC(C)=O)C(OC3C(OC(C)=O)C(OC(C)=O)C2(C)C32CO2)C=C1C,"InChI=1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3",NOTOVTQRFFVBSB,UHFFFAOYSA,N,Acetyl-T2 Toxin,NOTOVTQRFFVBSB-UHFFFAOYSA-N
HMDB33165,580.47028978,C35H64O6,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(O)CCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-11-18-23-31(37)33-25-26-34(41-33)32(38)24-19-14-17-22-30(36)21-16-13-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3",JHKNWORCLXKZFL,UHFFFAOYSA,N,4-Deoxyannoreticuin,JHKNWORCLXKZFL-UHFFFAOYSA-N
HMDB33166,256.240230268,C16H32O2,CCCCCCCCOC(=O)CCCCCCC,"InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3",DJNTZVRUYMHBTD,UHFFFAOYSA,N,Octyl octanoate,DJNTZVRUYMHBTD-UHFFFAOYSA-N
HMDB33167,156.115029756,C9H16O2,CCOC(=O)C1CCCCC1,"InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3",JJOYCHKVKWDMEA,UHFFFAOYSA,N,Ethyl cyclohexanecarboxylate,JJOYCHKVKWDMEA-UHFFFAOYSA-N
HMDB33168,698.351356436,C35H54O14,CC(OC1OC(COC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C1CC(O)C2C3CCC4=CC(=O)CCC4(C)C3CCC12C,"InChI=1S/C35H54O14/c1-15(21-12-22(39)25-19-6-5-17-11-18(38)7-9-34(17,3)20(19)8-10-35(21,25)4)46-32-30(44)28(42)31(24(48-32)14-45-16(2)37)49-33-29(43)27(41)26(40)23(13-36)47-33/h11,15,19-33,36,39-44H,5-10,12-14H2,1-4H3",UXRVDKWULKVYPG,UHFFFAOYSA,N,"(15a,20R)-Dihydroxypregn-4-en-3-one 20-[glucosyl-(1->4)-6-acetyl-glucoside]",UXRVDKWULKVYPG-UHFFFAOYSA-N
HMDB33169,328.094688244,C18H16O6,CC1OC2=C(C3=C(C(O)=C2)C(=O)C2=C(O)C=CC(O)=C2O3)C1(C)C,"InChI=1S/C18H16O6/c1-7-18(2,3)14-11(23-7)6-10(21)13-15(22)12-8(19)4-5-9(20)16(12)24-17(13)14/h4-7,19-21H,1-3H3",KIUHCQDWGHJIMP,UHFFFAOYSA,N,Garbogiol,KIUHCQDWGHJIMP-UHFFFAOYSA-N
HMDB33170,780.465992262,C42H68O13,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-34-32(49)30(47)33(24(20-44)53-34)55-35-31(48)29(46)28(45)23(19-43)52-35/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)",WIGHCPZBXOGLKE,UHFFFAOYSA,N,Calenduloside A,WIGHCPZBXOGLKE-UHFFFAOYSA-N
HMDB33171,132.068748266,C8H8N2,CC1=NC=CN2C=CC=C12,"InChI=1S/C8H8N2/c1-7-8-3-2-5-10(8)6-4-9-7/h2-6H,1H3",OCFOYCLGYLFXCC,UHFFFAOYSA,N,"1-Methylpyrrolo[1,2-a]pyrazine",OCFOYCLGYLFXCC-UHFFFAOYSA-N
HMDB33172,133.063997239,C7H7N3,CC1=CN2C=CC=C2N=N1,"InChI=1S/C7H7N3/c1-6-5-10-4-2-3-7(10)9-8-6/h2-5H,1H3",HSNADAQXGQFCHK,UHFFFAOYSA,N,"3-Methylpyrrolo[1,2-a]pyrazine",HSNADAQXGQFCHK-UHFFFAOYSA-N
HMDB33173,132.068748266,C8H8N2,CC1=CN=CC2=CC=CN12,"InChI=1S/C8H8N2/c1-7-5-9-6-8-3-2-4-10(7)8/h2-6H,1H3",GCXGRZISVBCADH,UHFFFAOYSA,N,"4-Methylpyrrolo[1,2-a]pyrazine",GCXGRZISVBCADH-UHFFFAOYSA-N
HMDB33174,794.44525682,C42H66O14,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)28(46)31(32(56-35)33(49)50)55-34-29(47)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)",OFLDMHFCMNKHGN,UHFFFAOYSA,N,Calendulaglycoside E,OFLDMHFCMNKHGN-UHFFFAOYSA-N
HMDB33175,956.49808025,C48H76O19,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-34(57)35(65-39-32(55)30(53)28(51)23(19-49)62-39)36(37(67-41)38(58)59)66-40-33(56)31(54)29(52)24(20-50)63-40/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)",IKLJZXPOWHPNML,UHFFFAOYSA,N,Calendulaglycoside B,IKLJZXPOWHPNML-UHFFFAOYSA-N
HMDB33176,146.073164942,C10H10O,CC1=C(C)C2=CC=CC=C2O1,"InChI=1S/C10H10O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3",YGBXXWTZWLALGR,UHFFFAOYSA,N,"2,3-Dimethylbenzofuran",YGBXXWTZWLALGR-UHFFFAOYSA-N
HMDB33177,494.542666862,C34H70O,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C34H70O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35/h35H,2-34H2,1H3",OULAJFUGPPVRBK,UHFFFAOYSA,N,Sapiol,OULAJFUGPPVRBK-UHFFFAOYSA-N
HMDB33178,144.068748266,C9H8N2,CC1=C2N=CC=NC2=CC=C1,"InChI=1S/C9H8N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2-6H,1H3",CQLOYHZZZCWHSG,UHFFFAOYSA,N,5-Methylquinoxaline,CQLOYHZZZCWHSG-UHFFFAOYSA-N
HMDB33179,197.051049291,C9H11NO2S,CCOC(=S)NC1=CC=C(O)C=C1,"InChI=1S/C9H11NO2S/c1-2-12-9(13)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,13)",PUWHCBBKAJGINR,UHFFFAOYSA,N,N-(4-hydroxyphenyl)ethoxycarbothioamide,PUWHCBBKAJGINR-UHFFFAOYSA-N
HMDB33180,424.464416542,C29H60O,CCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCC,"InChI=1S/C29H60O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3",KENDAPSPCLAHAG,UHFFFAOYSA,N,15-Nonacosanol,KENDAPSPCLAHAG-UHFFFAOYSA-N
HMDB33181,426.386166222,C30H50O,C\C(CCC1C(C)=CCC(O)C1(C)C)=C/CCC1=C(C)CCC2(C)CCC(C)(C)CC12,"InChI=1S/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,13,25-27,31H,9,11-12,14-20H2,1-8H3/b21-10+",HRQSDUTTZIHWJQ,UFFVCSGVSA,N,Camelliol A,HRQSDUTTZIHWJQ-UFFVCSGVSA-N
HMDB33182,96.057514878,C6H8O,CC1=CC=C(C)O1,"InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3",GSNUFIFRDBKVIE,UHFFFAOYSA,N,"2,5-Dimethylfuran",GSNUFIFRDBKVIE-UHFFFAOYSA-N
HMDB33183,146.036779436,C9H6O2,O=CC1=CC2=CC=CC=C2O1,InChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H,ADDZHRRCUWNSCS,UHFFFAOYSA,N,2-Benzofurancarboxaldehyde,ADDZHRRCUWNSCS-UHFFFAOYSA-N
HMDB33184,230.094294314,C14H14O3,C\C1=C\COC2=CC=C(C=C2)\C=C/C(=O)OC1,"InChI=1S/C14H14O3/c1-11-8-9-16-13-5-2-12(3-6-13)4-7-14(15)17-10-11/h2-8H,9-10H2,1H3/b7-4-,11-8-",WPMGVJJSBNXOQS,XGBXBTFKSA,N,Pondaplin,WPMGVJJSBNXOQS-XGBXBTFKSA-N
HMDB33185,574.141638436,C38H22O6,OC12OC3=C4C5C1C1=C(OC5(O)C(=O)C5=C(C=CC(C=C3)=C45)C3=CC=CC=C3)C=CC3=C1C(C2=O)=C(C=C3)C1=CC=CC=C1,"InChI=1S/C38H22O6/c39-35-29-23(19-7-3-1-4-8-19)15-11-21-13-17-25-31(27(21)29)33-34-32-26(43-37(33,35)41)18-14-22-12-16-24(20-9-5-2-6-10-20)30(28(22)32)36(40)38(34,42)44-25/h1-18,33-34,41-42H",YOXXPZVESHZYHK,UHFFFAOYSA,N,Anigorootin,YOXXPZVESHZYHK-UHFFFAOYSA-N
HMDB33186,624.49650453,C37H68O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-14-17-23-33(40)35-25-26-36(44-35)34(41)24-19-18-21-31(38)20-15-12-11-13-16-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3",HVFIEGOJQDOBGC,UHFFFAOYSA,N,Annoglacin A,HVFIEGOJQDOBGC-UHFFFAOYSA-N
HMDB33187,178.07825032,C14H10,C\C=C/C#CC#CC#CC#C\C=C/C,"InChI=1S/C14H10/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-6H,1-2H3/b5-3-,6-4-",WNKUNTYSRYMVDG,GLIMQPGKSA,N,"2,12-Tetradecadiene-4,6,8,10-tetrayne",WNKUNTYSRYMVDG-GLIMQPGKSA-N
HMDB33188,197.095297367,C12H11N3,CC1=NC(N)=CC2=C1C1=CC=CC=C1N2,"InChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14)",LKKMLIBUAXYLOY,UHFFFAOYSA,N,"3-Amino-1-methyl-5H-pyrido[4,3-b]indole",LKKMLIBUAXYLOY-UHFFFAOYSA-N
HMDB33189,302.115423686,C17H18O5,COC1=C(OC)C(O)=C(C=C1)C1COC2=C(C1)C=CC(O)=C2,"InChI=1S/C17H18O5/c1-20-14-6-5-13(16(19)17(14)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3",NQRBAPDEZYMKFL,UHFFFAOYSA,N,Isomucronulatol,NQRBAPDEZYMKFL-UHFFFAOYSA-N
HMDB33190,422.448766478,C29H58O,CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC,"InChI=1S/C29H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",FVKQALGTGOKSSK,UHFFFAOYSA,N,15-Nonacosanone,FVKQALGTGOKSSK-UHFFFAOYSA-N
HMDB33191,238.120509064,C13H18O4,CCC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O,"InChI=1S/C13H18O4/c1-6-7(14)8-9(15)12(2,3)11(17)13(4,5)10(8)16/h8H,6H2,1-5H3",IZVWNTVILPFEDY,UHFFFAOYSA,N,"2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione",IZVWNTVILPFEDY-UHFFFAOYSA-N
HMDB33192,559.184231531,C31H29NO9,COC1=C(OC)C2=C(C=C1)C(=O)C1=C(N2C)C(C2C(OC3=C2C2=C(C=C3)C=CC(=O)O2)C(C)(C)O)=C(OC)C=C1O,"InChI=1S/C31H29NO9/c1-31(2,36)30-24(23-17(40-30)10-7-14-8-12-20(34)41-28(14)23)22-19(38-5)13-16(33)21-26(22)32(3)25-15(27(21)35)9-11-18(37-4)29(25)39-6/h7-13,24,30,33,36H,1-6H3",XRRKNHPPSZSNHE,UHFFFAOYSA,N,Neoacrimarine K,XRRKNHPPSZSNHE-UHFFFAOYSA-N
HMDB33193,325.095022595,C18H15NO5,OC(=O)C1=C(NC(=O)\C=C\C=C\C2=CC=C(O)C=C2)C=CC(O)=C1,"InChI=1S/C18H15NO5/c20-13-7-5-12(6-8-13)3-1-2-4-17(22)19-16-10-9-14(21)11-15(16)18(23)24/h1-11,20-21H,(H,19,22)(H,23,24)/b3-1+,4-2+",FRNDILDQFSAXAR,ZPUQHVIOSA,N,Avenanthramide L,FRNDILDQFSAXAR-ZPUQHVIOSA-N
HMDB33194,412.370516158,C29H48O,CC(C)C(=C)CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3,"InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3",QLDNWJOJCDIMKK,UHFFFAOYSA,N,Triticusterol,QLDNWJOJCDIMKK-UHFFFAOYSA-N
HMDB33195,426.386166222,C30H50O,CC(C)=CCC\C(C)=C/CC\C(C)=C\CC\C=C(\C)CCC1C(C)=CCC(O)C1(C)C,"InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-21-28-27(6)20-22-29(31)30(28,7)8/h13-15,18,20,28-29,31H,9-12,16-17,19,21-22H2,1-8H3/b24-14+,25-18-,26-15-",CIDHBCQEXDUWEB,IVWMLIKNSA,N,Camelliol C,CIDHBCQEXDUWEB-IVWMLIKNSA-N
HMDB33196,206.13067982,C13H18O2,CC(=O)\C=C\CC(C)(C)C1=CC=C(C)O1,"InChI=1S/C13H18O2/c1-10(14)6-5-9-13(3,4)12-8-7-11(2)15-12/h5-8H,9H2,1-4H3/b6-5+",FBIJIFHUILHPFS,AATRIKPKSA,N,(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one,FBIJIFHUILHPFS-AATRIKPKSA-N
HMDB33197,252.136159128,C14H20O4,CCCC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O,"InChI=1S/C14H20O4/c1-6-7-8(15)9-10(16)13(2,3)12(18)14(4,5)11(9)17/h9H,6-7H2,1-5H3",OGXHJIPDGPTYKY,UHFFFAOYSA,N,"2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione",OGXHJIPDGPTYKY-UHFFFAOYSA-N
HMDB33198,506.28796832,C28H42O8,CC1=C(CO)C(=O)OC(C1)C(C)(O)C1CCC2(O)C3CC(O)C4(O)CCCC(=O)C4(C)C3CCC12C,"InChI=1S/C28H42O8/c1-15-12-22(36-23(32)16(15)14-29)26(4,33)19-8-11-27(34)18-13-21(31)28(35)9-5-6-20(30)25(28,3)17(18)7-10-24(19,27)2/h17-19,21-22,29,31,33-35H,5-14H2,1-4H3",AYSGOPOJGPEGSU,UHFFFAOYSA,N,"(5alpha,6beta,14alpha,20R,22R)-5,6,14,20,27-Pentahydroxy-1-oxowith-24-enolide",AYSGOPOJGPEGSU-UHFFFAOYSA-N
HMDB33199,486.26175357,C28H38O7,CC(C1CC(O)C2(O)C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC(C)=C(C)C(=O)O1,"InChI=1S/C28H38O7/c1-13-10-19(34-24(32)14(13)2)15(3)17-11-22(31)27(33)18-12-23-28(35-23)21(30)7-6-20(29)26(28,5)16(18)8-9-25(17,27)4/h6-7,15-19,21-23,30-31,33H,8-12H2,1-5H3",TUSMTCBTWSKFRH,UHFFFAOYSA,N,"(4beta,5beta,6beta,14beta,15alpha,20S,22R)-5,6-Epoxy-4,14,15-trihydroxy-1-oxowitha-2,24-dienolide",TUSMTCBTWSKFRH-UHFFFAOYSA-N
HMDB33200,136.125200512,C10H16,CC(C)=C1CCC=C(C)C1,"InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5H,4,6-7H2,1-3H3",WPOQYXKDKVBMSB,UHFFFAOYSA,N,5-Isosylveterpinolene,WPOQYXKDKVBMSB-UHFFFAOYSA-N
HMDB33201,188.141244506,C10H20O3,CC(O)CCCCCCCC(O)=O,"InChI=1S/C10H20O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)",UOQXHXSPGSKEGI,UHFFFAOYSA,N,9-Hydroxydecanoic acid,UOQXHXSPGSKEGI-UHFFFAOYSA-N
HMDB33202,209.96653308,C6H10S4,C=CCSSSSCC=C,"InChI=1S/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2",RMKCQUWJDRTEHE,UHFFFAOYSA,N,Di-2-propenyl tetrasulfide,RMKCQUWJDRTEHE-UHFFFAOYSA-N
HMDB33203,170.13067982,C10H18O2,CCCCC1CCCCC(=O)O1,"InChI=1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3",YKVIWISPFDZYOW,UHFFFAOYSA,N,6-Decanolide,YKVIWISPFDZYOW-UHFFFAOYSA-N
HMDB33204,428.401816286,C30H52O,CC(CCCO)C(CC\C(C)=C\CCC1=C(C)CCC2(C)CCC(C)(C)CC12)=C(C)C,"InChI=1S/C30H52O/c1-22(2)26(24(4)12-10-20-31)15-14-23(3)11-9-13-27-25(5)16-17-30(8)19-18-29(6,7)21-28(27)30/h11,24,28,31H,9-10,12-21H2,1-8H3/b23-11+",KIXZDOGILWAHJH,FOKLQQMPSA,N,Camelliol B,KIXZDOGILWAHJH-FOKLQQMPSA-N
HMDB33205,262.941108346,C6H6AsNO6,OC1=C(C=C(C=C1)[As](O)(O)=O)N(=O)=O,"InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)",XMVJITFPVVRMHC,UHFFFAOYSA,N,Roxarsone,XMVJITFPVVRMHC-UHFFFAOYSA-N
HMDB33206,177.997501013,C5H11AsO2,C[As+](C)(C)CC([O-])=O,"InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3",SPTHHTGLGVZZRH,UHFFFAOYSA,N,Arsenobetaine,SPTHHTGLGVZZRH-UHFFFAOYSA-N
HMDB33207,632.319662378,C34H48O11,CC1=C(C)C(=O)OC(C1)C1(C)OC23CCC1(O)C2(C)CCC1C3CC=C2CC(CC(=O)C12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C34H48O11/c1-16-12-24(44-28(40)17(16)2)32(5)34(41)11-10-33(45-32)21-7-6-18-13-19(42-29-27(39)26(38)25(37)22(15-35)43-29)14-23(36)31(18,4)20(21)8-9-30(33,34)3/h6,19-22,24-27,29,35,37-39,41H,7-15H2,1-5H3",BVSRDECOTMKNFS,UHFFFAOYSA,N,Coagulin R 3-glucoside,BVSRDECOTMKNFS-UHFFFAOYSA-N
HMDB33208,189.879993848,C2H6Se2,C[Se][Se]C,InChI=1S/C2H6Se2/c1-3-4-2/h1-2H3,VLXBWPOEOIIREY,UHFFFAOYSA,N,Dimethyl diselenide,VLXBWPOEOIIREY-UHFFFAOYSA-N
HMDB33209,278.020022238,C10H15O3PS2,COP(=S)(OC)OC1=CC=C(SC)C(C)=C1,"InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3",PNVJTZOFSHSLTO,UHFFFAOYSA,N,Fenthion,PNVJTZOFSHSLTO-UHFFFAOYSA-N
HMDB33210,646.356441814,C32H54O13,C\C(CC\C=C(/C)C(O)C\C=C(\C)COC1OC(CO)C(O)C(O)C1O)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C32H54O13/c1-6-32(5,45-31-29(41)27(39)25(37)23(16-34)44-31)14-8-10-18(2)9-7-11-20(4)21(35)13-12-19(3)17-42-30-28(40)26(38)24(36)22(15-33)43-30/h6,10-12,21-31,33-41H,1,7-9,13-17H2,2-5H3/b18-10+,19-12-,20-11+",ISGIJSAAZOHCAE,DBWZVHPFSA,N,Lyciumoside VIII,ISGIJSAAZOHCAE-DBWZVHPFSA-N
HMDB33211,359.100501903,C18H17NO7,COC1=C(O)C=CC(\C=C\C(\O)=N/C2=CC(OC)=C(O)C=C2C(O)=O)=C1,"InChI=1S/C18H17NO7/c1-25-15-7-10(3-5-13(15)20)4-6-17(22)19-12-9-16(26-2)14(21)8-11(12)18(23)24/h3-9,20-21H,1-2H3,(H,19,22)(H,23,24)/b6-4+",YDAKMIMUVCLFIN,GQCTYLIASA,N,Avenanthramide 2,YDAKMIMUVCLFIN-GQCTYLIASA-N
HMDB33212,109.96347202,C2H6Se,C[Se]C,InChI=1S/C2H6Se/c1-3-2/h1-2H3,RVIXKDRPFPUUOO,UHFFFAOYSA,N,Dimethyl selenide,RVIXKDRPFPUUOO-UHFFFAOYSA-N
HMDB33213,470.33960996,C30H46O4,C\C(=C\CCC(C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O,"InChI=1S/C30H46O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24-25,32H,7,9-17H2,1-6H3,(H,33,34)/b19-8-",VYZGQLBKGMFPIP,UWVJOHFNSA,N,"(3alpha,20R,24Z)-3-Hydroxy-21-oxoeupha-8,24-dien-26-oic acid",VYZGQLBKGMFPIP-UWVJOHFNSA-N
HMDB33214,414.386166222,C29H50O,[H][C@@]12CC=C3C4CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)C2,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21+,22+,23+,25-,26?,27?,28+,29-/m1/s1",YSKVBPGQYRAUQO,BSTNUWHUSA,N,Schottenol,YSKVBPGQYRAUQO-BSTNUWHUSA-N
HMDB33215,332.18350325,C16H28O7,CC1(C)OC2(C)CCC1(CC2)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O7/c1-14(2)16(6-4-15(3,23-14)5-7-16)22-13-12(20)11(19)10(18)9(8-17)21-13/h9-13,17-20H,4-8H2,1-3H3",XFTUHHQPFOUYRF,UHFFFAOYSA,N,"1,8-Epoxy-p-menthan-4-ol glucoside",XFTUHHQPFOUYRF-UHFFFAOYSA-N
HMDB33216,366.188982558,C16H30O9,CC(C)(O)C(O)CCC(=C)C(CO)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H30O9/c1-8(4-5-11(19)16(2,3)23)9(6-17)24-15-14(22)13(21)12(20)10(7-18)25-15/h9-15,17-23H,1,4-7H2,2-3H3",YTJFEBUQZTULAC,UHFFFAOYSA,N,"(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside",YTJFEBUQZTULAC-UHFFFAOYSA-N
HMDB33217,204.136159128,C10H20O4,CC(C)(O)C(O)CCC(=C)C(O)CO,"InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h8-9,11-14H,1,4-6H2,2-3H3",GGDOZDCNLKHEMH,UHFFFAOYSA,N,"(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol",GGDOZDCNLKHEMH-UHFFFAOYSA-N
HMDB33218,334.199153314,C16H30O7,CC(CCCC(C)(O)C=C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H30O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,10-15,17-21H,1,5-9H2,2-3H3",BTUZVFURXAOVBC,UHFFFAOYSA,N,"2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside",BTUZVFURXAOVBC-UHFFFAOYSA-N
HMDB33219,348.178417872,C16H28O8,CC1(C)C2C(O)CC(C)(C2O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O8/c1-15(2)8-6(18)4-16(3,12(8)22)14(15)24-13-11(21)10(20)9(19)7(5-17)23-13/h6-14,17-22H,4-5H2,1-3H3",QSWGTHMJOKIYMV,UHFFFAOYSA,N,"(1S,2S,4R,5S,7S)-2,5,7-Fenchanetriol 2-O-b-D-glucoside",QSWGTHMJOKIYMV-UHFFFAOYSA-N
HMDB33220,332.18350325,C16H28O7,CC1(C)C2CC(O)C(C)(C2)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O7/c1-15(2)7-4-9(18)16(3,5-7)14(15)23-13-12(21)11(20)10(19)8(6-17)22-13/h7-14,17-21H,4-6H2,1-3H3",ZXTOJNKDXKFQAG,UHFFFAOYSA,N,"(1R,2R,4S,6R)-2,6-Fenchanediol 2-O-b-D-glucoside",ZXTOJNKDXKFQAG-UHFFFAOYSA-N
HMDB33221,332.18350325,C16H28O7,CC1(C)C2CC(C)(CC2O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O7/c1-15(2)7-4-16(3,5-8(7)18)14(15)23-13-12(21)11(20)10(19)9(6-17)22-13/h7-14,17-21H,4-6H2,1-3H3",LDPSEQUXUZQNEM,UHFFFAOYSA,N,"(1R,2S,4R,5S)-2,5-Fenchanediol 2-O-b-D-glucoside",LDPSEQUXUZQNEM-UHFFFAOYSA-N
HMDB33222,346.162767808,C16H26O8,CC1(CO)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C2)C1=O,"InChI=1S/C16H26O8/c1-15-4-7(16(2,6-18)14(15)22)3-9(15)24-13-12(21)11(20)10(19)8(5-17)23-13/h7-13,17-21H,3-6H2,1-2H3",QZAWDTYMSDWVFW,UHFFFAOYSA,N,"(1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside",QZAWDTYMSDWVFW-UHFFFAOYSA-N
HMDB33223,346.162767808,C16H26O8,CC1(CO)C2CCC(COC3OC(CO)C(O)C(O)C3O)(C2)C1=O,"InChI=1S/C16H26O8/c1-15(6-18)8-2-3-16(4-8,14(15)22)7-23-13-12(21)11(20)10(19)9(5-17)24-13/h8-13,17-21H,2-7H2,1H3",VOSKDOKSPQKSPY,UHFFFAOYSA,N,"(1S,3R,4R)-8,10-Dihydroxyfenchone 10-O-b-D-glucoside",VOSKDOKSPQKSPY-UHFFFAOYSA-N
HMDB33224,330.167853186,C16H26O7,CC1(C)C2CC(C)(CC2OC2OC(CO)C(O)C(O)C2O)C1=O,"InChI=1S/C16H26O7/c1-15(2)7-4-16(3,14(15)21)5-8(7)22-13-12(20)11(19)10(18)9(6-17)23-13/h7-13,17-20H,4-6H2,1-3H3",WZIIAEDQDFVGCF,UHFFFAOYSA,N,"(1R,4R,5S)-5-Hydroxyfenchone glucoside",WZIIAEDQDFVGCF-UHFFFAOYSA-N
HMDB33225,330.167853186,C16H26O7,CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C2)C1=O,"InChI=1S/C16H26O7/c1-15(2)7-4-9(16(3,5-7)14(15)21)23-13-12(20)11(19)10(18)8(6-17)22-13/h7-13,17-20H,4-6H2,1-3H3",NSQBEKJIIBBOAS,UHFFFAOYSA,N,"(1R,4S,6R)-6-Hydroxyfenchone glucoside",NSQBEKJIIBBOAS-UHFFFAOYSA-N
HMDB33226,330.167853186,C16H26O7,CC1(C)C2CCC(COC3OC(CO)C(O)C(O)C3O)(C2)C1=O,"InChI=1S/C16H26O7/c1-15(2)8-3-4-16(5-8,14(15)21)7-22-13-12(20)11(19)10(18)9(6-17)23-13/h8-13,17-20H,3-7H2,1-2H3",WERYFGDRRGZFRG,UHFFFAOYSA,N,"(1S,4R)-10-Hydroxyfenchone glucoside",WERYFGDRRGZFRG-UHFFFAOYSA-N
HMDB33227,264.136159128,C15H20O4,CC1=COC2=C1C(=O)C1C(C)(O)CCC(O)C1(C)C2,"InChI=1S/C15H20O4/c1-8-7-19-9-6-14(2)10(16)4-5-15(3,18)13(14)12(17)11(8)9/h7,10,13,16,18H,4-6H2,1-3H3",QXEXMTIZXNCRJO,UHFFFAOYSA,N,Curcolonol,QXEXMTIZXNCRJO-UHFFFAOYSA-N
HMDB33228,238.193280076,C15H26O2,CC(=C)C1CCC(C)(O)C2CCC(C)(O)C2C1,"InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h11-13,16-17H,1,5-9H2,2-4H3",RQHOQQOEZPFYTD,UHFFFAOYSA,N,Guaidiol,RQHOQQOEZPFYTD-UHFFFAOYSA-N
HMDB33229,266.151809192,C15H22O4,CC1C2C(OC1=O)C1C(CC(O)C1=C)C(C)CC2O,"InChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h6,8-14,16-17H,2,4-5H2,1,3H3",IBIJTDJAWRYXRF,UHFFFAOYSA,N,Absindiol,IBIJTDJAWRYXRF-UHFFFAOYSA-N
HMDB33230,334.199153314,C16H30O7,CC(C)(O)C1CCC(COC2OC(CO)C(O)C(O)C2O)CC1,"InChI=1S/C16H30O7/c1-16(2,21)10-5-3-9(4-6-10)8-22-15-14(20)13(19)12(18)11(7-17)23-15/h9-15,17-21H,3-8H2,1-2H3",IJJKRFDBPRPLQQ,UHFFFAOYSA,N,"trans-p-Menthane-7,8-diol 7-glucoside",IJJKRFDBPRPLQQ-UHFFFAOYSA-N
HMDB33231,334.199153314,C16H30O7,CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)CC1,"InChI=1S/C16H30O7/c1-16(2,10-5-3-9(7-17)4-6-10)23-15-14(21)13(20)12(19)11(8-18)22-15/h9-15,17-21H,3-8H2,1-2H3",KMNHZNJPIOZBEM,UHFFFAOYSA,N,"trans-p-Menthane-7,8-diol 8-glucoside",KMNHZNJPIOZBEM-UHFFFAOYSA-N
HMDB33232,442.381080844,C30H50O2,CC1CCC2(C)C(O)CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1C,"InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)21-9-10-22-26(3,4)23(31)13-15-27(22,5)20(21)12-16-29(30,7)25(28)19(18)2/h9,18-20,22-25,31-32H,10-17H2,1-8H3",RSBGODIKJNCIHA,UHFFFAOYSA,N,"(3beta,16alpha)-7-Baurene-3,16-diol",RSBGODIKJNCIHA-UHFFFAOYSA-N
HMDB33233,472.355260024,C30H48O4,CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C30H48O4/c1-18(9-10-24(33)27(4,5)34)19-11-16-30(8)25-20(12-15-29(19,30)7)28(6)14-13-23(32)26(2,3)22(28)17-21(25)31/h18-19,22,24,33-34H,9-17H2,1-8H3",LVGCWXNRZNCAJG,UHFFFAOYSA,N,Lucidumol A,LVGCWXNRZNCAJG-UHFFFAOYSA-N
HMDB33234,500.31378914,C30H44O6,CC(CC\C=C(/C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C30H44O6/c1-16(9-8-10-17(2)26(35)36)18-13-23(34)30(7)25-19(31)14-21-27(3,4)22(33)11-12-28(21,5)24(25)20(32)15-29(18,30)6/h10,16,18-19,21-22,31,33H,8-9,11-15H2,1-7H3,(H,35,36)/b17-10+",NJZMSAAKSXZIEC,LICLKQGHSA,N,Ganoderic acid beta,NJZMSAAKSXZIEC-LICLKQGHSA-N
HMDB33235,230.13067982,C15H18O2,CC1=COC2=C1CC1C(=C)CCC(=O)C1(C)C2,"InChI=1S/C15H18O2/c1-9-4-5-14(16)15(3)7-13-11(6-12(9)15)10(2)8-17-13/h8,12H,1,4-7H2,2-3H3",AKNPMCISDQNRFC,UHFFFAOYSA,N,"8,12-Epoxy-4(15),7,11-eudesmatrien-1-one",AKNPMCISDQNRFC-UHFFFAOYSA-N
HMDB33236,348.178417872,C16H28O8,CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C=C,"InChI=1S/C16H28O8/c1-4-16(8-18)6-5-10(23-16)15(2,3)24-14-13(21)12(20)11(19)9(7-17)22-14/h4,9-14,17-21H,1,5-8H2,2-3H3",QSBRHMSGMHEVKB,UHFFFAOYSA,N,cis-10-Hydroxylinalyl oxide 7-glucoside,QSBRHMSGMHEVKB-UHFFFAOYSA-N
HMDB33237,382.18389718,C16H30O10,CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C(O)CO,"InChI=1S/C16H30O10/c1-15(2,10-3-4-16(7-19,25-10)9(20)6-18)26-14-13(23)12(22)11(21)8(5-17)24-14/h8-14,17-23H,3-7H2,1-2H3",RYNMENUEBZLOQZ,UHFFFAOYSA,N,"1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside",RYNMENUEBZLOQZ-UHFFFAOYSA-N
HMDB33238,124.088815006,C8H12O,CC(C)C1=CC=C(C)O1,"InChI=1S/C8H12O/c1-6(2)8-5-4-7(3)9-8/h4-6H,1-3H3",JYOVNNBTWWYRGU,UHFFFAOYSA,N,2-Isopropyl-5-methylfuran,JYOVNNBTWWYRGU-UHFFFAOYSA-N
HMDB33239,222.198365454,C15H26O,CC1CCC2C1CC(CCC2(C)O)C(C)=C,"InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)13(14)9-12/h11-14,16H,1,5-9H2,2-4H3",VYOZKWKETGHHDW,UHFFFAOYSA,N,Pogostol,VYOZKWKETGHHDW-UHFFFAOYSA-N
HMDB33240,340.058302738,C18H12O7,OC1=CC=C(C=C1)C1=C(O)C(=O)O\C(=C\C2=CC(O)=C(O)C=C2)C1=O,"InChI=1S/C18H12O7/c19-11-4-2-10(3-5-11)15-16(22)14(25-18(24)17(15)23)8-9-1-6-12(20)13(21)7-9/h1-8,19-21,23H/b14-8+",MCSQVSPITLWUGY,RIYZIHGNSA,N,Grevilline B,MCSQVSPITLWUGY-RIYZIHGNSA-N
HMDB33241,619.315202897,C29H45N7O6S,CSCCC(NC(=O)C1CCCN1C(=O)C(C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(N)=O,"InChI=1S/C29H45N7O6S/c1-17(2)24(25(31)38)35-27(40)21(15-19-9-6-5-7-10-19)34-26(39)20(12-14-43-4)33-28(41)22-11-8-13-36(22)29(42)18(3)32-23(37)16-30/h5-7,9-10,17-18,20-22,24H,8,11-16,30H2,1-4H3,(H2,31,38)(H,32,37)(H,33,41)(H,34,39)(H,35,40)",WSOXREPRCVQMSJ,UHFFFAOYSA,N,Glycylalanylprolylmethionylphenylalanylvalinamide,WSOXREPRCVQMSJ-UHFFFAOYSA-N
HMDB33242,635.310117519,C29H45N7O7S,CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(N)=O,"InChI=1S/C29H45N7O7S/c1-17(2)24(25(31)39)35-27(41)20(14-18-8-5-4-6-9-18)34-26(40)19(11-13-44-3)33-28(42)22-10-7-12-36(22)29(43)21(16-37)32-23(38)15-30/h4-6,8-9,17,19-22,24,37H,7,10-16,30H2,1-3H3,(H2,31,39)(H,32,38)(H,33,42)(H,34,40)(H,35,41)",CVXWKHQDFPDLTM,UHFFFAOYSA,N,Glycylserylprolylmethionylphenylalanylvalinamide,CVXWKHQDFPDLTM-UHFFFAOYSA-N
HMDB33243,308.198759384,C18H28O4,CCC(O)\C=C\C=C\C=C\C(=O)CCCCCCCC(O)=O,"InChI=1S/C18H28O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14,16,19H,2-5,9,11,13,15H2,1H3,(H,21,22)/b7-6+,12-8+,14-10+",KLFMLBSZQZVKDC,KDXRDGMUSA,N,Corchorifatty acid D,KLFMLBSZQZVKDC-KDXRDGMUSA-N
HMDB33244,278.151809192,C16H22O4,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,"InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3",DOIRQSBPFJWKBE,UHFFFAOYSA,N,Dibutyl phthalate,DOIRQSBPFJWKBE-UHFFFAOYSA-N
HMDB33245,194.043990078,C7H6N4O3,OCC1=CNC2=NC(=O)NC(=O)C2=N1,"InChI=1S/C7H6N4O3/c12-2-3-1-8-5-4(9-3)6(13)11-7(14)10-5/h1,12H,2H2,(H2,8,10,11,13,14)",SQXCACKAQINDFU,UHFFFAOYSA,N,"6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione",SQXCACKAQINDFU-UHFFFAOYSA-N
HMDB33246,356.05321736,C18H12O8,OC1=CC(=C(O)C=C1)C1=C(O)C(=O)O\C(=C\C2=CC(O)=C(O)C=C2)C1=O,"InChI=1S/C18H12O8/c19-9-2-4-11(20)10(7-9)15-16(23)14(26-18(25)17(15)24)6-8-1-3-12(21)13(22)5-8/h1-7,19-22,24H/b14-6+",PVXXMVFQPHEMMT,MKMNVTDBSA,N,Grevilline D,PVXXMVFQPHEMMT-MKMNVTDBSA-N
HMDB33247,307.084457909,C18H13NO4,COC1=C(O)C=C2C(=O)C(=O)N(C)C3=CC4=CC=CC=C4C1=C23,"InChI=1S/C18H13NO4/c1-19-12-7-9-5-3-4-6-10(9)15-14(12)11(16(21)18(19)22)8-13(20)17(15)23-2/h3-8,20H,1-2H3",JGDZUWXHWYXMSD,UHFFFAOYSA,N,Aristolodione,JGDZUWXHWYXMSD-UHFFFAOYSA-N
HMDB33248,178.062994186,C10H10O3,C(OCC1=CC=CO1)C1=CC=CO1,"InChI=1S/C10H10O3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2",YEQMNLGBLPBBNI,UHFFFAOYSA,N,Di-alpha-furfuryl ether,YEQMNLGBLPBBNI-UHFFFAOYSA-N
HMDB33249,187.062473052,C6H10ClN5,CC(C)NC1=NC(N)=NC(Cl)=N1,"InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)",DFWFIQKMSFGDCQ,UHFFFAOYSA,N,"6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine",DFWFIQKMSFGDCQ-UHFFFAOYSA-N
HMDB33250,356.05321736,C18H12O8,OC1=C(O)C=C(\C=C2\OC(=O)C(O)=C(C2=O)C2=CC(O)=C(O)C=C2)C=C1,"InChI=1S/C18H12O8/c19-10-3-1-8(5-12(10)21)6-14-16(23)15(17(24)18(25)26-14)9-2-4-11(20)13(22)7-9/h1-7,19-22,24H/b14-6+",TXXYFFLNPXAMTR,MKMNVTDBSA,N,Grevilline C,TXXYFFLNPXAMTR-MKMNVTDBSA-N
HMDB33251,226.099379692,C15H14O2,O=C(CC1=CC=CC=C1)OCC1=CC=CC=C1,"InChI=1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2",MIYFJEKZLFWKLZ,UHFFFAOYSA,N,Phenylmethyl benzeneacetate,MIYFJEKZLFWKLZ-UHFFFAOYSA-N
HMDB33252,234.161979948,C15H22O2,CC1CCC(C(C)=C)C11CC(=C(C)C)C(=O)O1,"InChI=1S/C15H22O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h11,13H,3,6-8H2,1-2,4-5H3",KHOTZHZBHNDKOB,UHFFFAOYSA,N,Curcumanolide A,KHOTZHZBHNDKOB-UHFFFAOYSA-N
HMDB33253,234.161979948,C15H22O2,CC(=O)CCC1C2CC(=C(C)C)C(=O)CC12C,"InChI=1S/C15H22O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h12-13H,5-8H2,1-4H3",HUZJLWLCLJEXEL,UHFFFAOYSA,N,Curcumenone,HUZJLWLCLJEXEL-UHFFFAOYSA-N
HMDB33254,374.100167552,C19H18O8,COC1=C(O)C=C(C=C1)C1(COC(C)=O)COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C19H18O8/c1-10(20)26-8-19(11-3-4-15(25-2)13(22)5-11)9-27-16-7-12(21)6-14(23)17(16)18(19)24/h3-7,21-23H,8-9H2,1-2H3",IOLHWMMZYCBLRD,UHFFFAOYSA,N,Comosin,IOLHWMMZYCBLRD-UHFFFAOYSA-N
HMDB33255,314.07903818,C17H14O6,COC1=C(O)C=C2C(CC22COC3=CC(O)=CC(O)=C3C2=O)=C1,"InChI=1S/C17H14O6/c1-22-13-2-8-6-17(10(8)5-11(13)19)7-23-14-4-9(18)3-12(20)15(14)16(17)21/h2-5,18-20H,6-7H2,1H3",UVAGPWQTXXDQIY,UHFFFAOYSA,N,Muscomosin,UVAGPWQTXXDQIY-UHFFFAOYSA-N
HMDB33256,458.375995466,C30H50O3,C\C(CO)=C\CCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3CCC21C,"InChI=1S/C30H50O3/c1-20(19-31)9-8-15-30(7,33)22-12-17-28(5)21(22)10-11-24-27(4)16-14-25(32)26(2,3)23(27)13-18-29(24,28)6/h9,21-24,31,33H,8,10-19H2,1-7H3/b20-9-",YYUILYGGEOINGF,UKWGHVSLSA,N,"(20S,24E)-20,26-Dihydroxy-24-dammaren-3-one",YYUILYGGEOINGF-UKWGHVSLSA-N
HMDB33257,440.36543078,C30H48O2,CC1(C)CCC2(CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1)C=O,"InChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,19-21,23-24,32H,8-9,11-18H2,1-7H3",IFVLEXPVJXHCAY,UHFFFAOYSA,N,Myricolal,IFVLEXPVJXHCAY-UHFFFAOYSA-N
HMDB33258,400.152203122,C22H24O7,COC1=CC(CC2COC(=O)C2CC2=CC3=C(OCO3)C=C2)=CC(OC)=C1OC,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)6-15-11-27-22(23)16(15)7-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3",HHRGVAZECZEYPH,UHFFFAOYSA,N,Isoyatein,HHRGVAZECZEYPH-UHFFFAOYSA-N
HMDB33259,430.162767808,C23H26O8,COC1=C2OCOC2=CC(CC2C(CC3=CC(OC)=C(OC)C(OC)=C3)COC2=O)=C1,"InChI=1S/C23H26O8/c1-25-17-7-13(8-18(26-2)21(17)28-4)5-15-11-29-23(24)16(15)6-14-9-19(27-3)22-20(10-14)30-12-31-22/h7-10,15-16H,5-6,11-12H2,1-4H3",BFDODNWEBMWJIS,UHFFFAOYSA,N,Cubebinone,BFDODNWEBMWJIS-UHFFFAOYSA-N
HMDB33260,600.41786028,C40H56O4,C\C(\C=C\C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC(CC1(C)C)CC2(C)O,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,33-34,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15-,30-16+,31-19+,32-20-",TWTPPPZIWNGQCQ,SPHDKFQHSA,N,"Capsanthin 3,6-epoxide",TWTPPPZIWNGQCQ-SPHDKFQHSA-N
HMDB33261,590.121296924,C34H22O10,CC12CC(C3=C(C4=C(O3)C=C(C=C4OC(=O)C3=C(O)C=C(O)C=C3)C3=CC4=C(O3)C=C(O)C=C4)C1=O)C1=CC=C(O)C=C1O2,"InChI=1S/C34H22O10/c1-34-14-22(20-6-4-19(37)13-26(20)44-34)31-30(32(34)39)29-27(42-31)9-16(24-8-15-2-3-18(36)12-25(15)41-24)10-28(29)43-33(40)21-7-5-17(35)11-23(21)38/h2-13,22,35-38H,14H2,1H3",UCGIUWUATGREEP,UHFFFAOYSA,N,Mulberrofuran M,UCGIUWUATGREEP-UHFFFAOYSA-N
HMDB33262,278.115423686,C15H18O5,CC1=C(O)C=C2C(=O)C(O)C3CCC(O)C(O)C3C2=C1,"InChI=1S/C15H18O5/c1-6-4-8-9(5-11(6)17)14(19)13(18)7-2-3-10(16)15(20)12(7)8/h4-5,7,10,12-13,15-18,20H,2-3H2,1H3",MBBMNXMKZBEZIP,UHFFFAOYSA,N,Solanolone,MBBMNXMKZBEZIP-UHFFFAOYSA-N
HMDB33264,302.042652674,C15H10O7,OC1=CC(O)=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2O)C1=O,"InChI=1S/C15H10O7/c16-6-1-2-7(9(17)3-6)8-5-22-15-12(13(8)20)10(18)4-11(19)14(15)21/h1-5,16-19,21H",LOLNVJIGYUJCIY,UHFFFAOYSA,N,"2',4',5,7,8-Pentahydroxyisoflavone",LOLNVJIGYUJCIY-UHFFFAOYSA-N
HMDB33265,260.068473494,C14H12O5,COC1=CC(=O)C2=C(C=C(C)C(C(C)=O)=C2O)C1=O,"InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3",SSHJHOVVYKCJJI,UHFFFAOYSA,N,2-Methoxystypandrone,SSHJHOVVYKCJJI-UHFFFAOYSA-N
HMDB33266,343.178358293,C20H25NO4,CC(C)CC\N=C\C1=C2C(=O)C=C(C)C(=O)C2=C(C(C)C)C(O)=C1O,"InChI=1S/C20H25NO4/c1-10(2)6-7-21-9-13-16-14(22)8-12(5)18(23)17(16)15(11(3)4)20(25)19(13)24/h8-11,24-25H,6-7H2,1-5H3/b21-9+",UYIGQGYXLRGUGA,ZVBGSRNCSA,N,Gossyrubilone,UYIGQGYXLRGUGA-ZVBGSRNCSA-N
HMDB33267,650.069655284,C34H18O14,OC(=O)C(=C1/OC(=O)C(=C1O)C1=CC2=C(C=C1)C(=O)C(=O)C=C2C1=C(O)\C(OC1=O)=C(/C(O)=O)C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1,"InChI=1S/C34H18O14/c35-16-6-1-13(2-7-16)23(31(41)42)29-27(39)22(33(45)47-29)15-5-10-18-19(11-15)20(12-21(37)26(18)38)25-28(40)30(48-34(25)46)24(32(43)44)14-3-8-17(36)9-4-14/h1-12,35-36,39-40H,(H,41,42)(H,43,44)/b29-23-,30-24+",DPDCZWLANAIGKX,UEUMJKGWSA,N,Bisnorbadioquinone A,DPDCZWLANAIGKX-UEUMJKGWSA-N
HMDB33268,330.073952802,C17H14O7,COC1=CC2=C(C(O)=C1OC)C(=O)C1=C(C(O)=C(C)C(O)=C1)C2=O,"InChI=1S/C17H14O7/c1-6-9(18)4-7-11(13(6)19)15(21)8-5-10(23-2)17(24-3)16(22)12(8)14(7)20/h4-5,18-19,22H,1-3H3",RMPPFTPDOBBBQE,UHFFFAOYSA,N,"1,3,5-Trihydroxy-6,7-dimethoxy-2-methylanthraquinone",RMPPFTPDOBBBQE-UHFFFAOYSA-N
HMDB33269,267.978333997,C12H9ClOS2,OC(CCl)C#CC1=CC=C(S1)C1=CC=CS1,"InChI=1S/C12H9ClOS2/c13-8-9(14)3-4-10-5-6-12(16-10)11-2-1-7-15-11/h1-2,5-7,9,14H,8H2",GFYWABYZRGXGNU,UHFFFAOYSA,N,"5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene",GFYWABYZRGXGNU-UHFFFAOYSA-N
HMDB33270,372.120902994,C20H20O7,COC1=CC(OC2OCC3C2COC3C2=CC3=C(OCO3)C=C2)=CC=C1O,"InChI=1S/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3",OJVGWDJIYBTWDS,UHFFFAOYSA,N,Sesamolinol,OJVGWDJIYBTWDS-UHFFFAOYSA-N
HMDB33271,382.214409448,C24H30O4,CC1(C)C(O)CCC2(C)C(COC3=CC(=O)OC4=CC=CC=C34)C(=C)CCC12,"InChI=1S/C24H30O4/c1-15-9-10-20-23(2,3)21(25)11-12-24(20,4)17(15)14-27-19-13-22(26)28-18-8-6-5-7-16(18)19/h5-8,13,17,20-21,25H,1,9-12,14H2,2-4H3",WLYRUZQGIVCRDD,UHFFFAOYSA,N,Foetidin,WLYRUZQGIVCRDD-UHFFFAOYSA-N
HMDB33272,404.18350325,C22H28O7,COC1=CC(CC(CO)C(CO)CC2=CC3=C(OCO3)C=C2)=CC(OC)=C1OC,"InChI=1S/C22H28O7/c1-25-20-9-15(10-21(26-2)22(20)27-3)7-17(12-24)16(11-23)6-14-4-5-18-19(8-14)29-13-28-18/h4-5,8-10,16-17,23-24H,6-7,11-13H2,1-3H3",FDHFWHRGVDRJIK,UHFFFAOYSA,N,Dihydroclusin,FDHFWHRGVDRJIK-UHFFFAOYSA-N
HMDB33273,448.209718,C24H32O8,COC1=CC(CC2COC(O)C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,"InChI=1S/C24H32O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17,24-25H,7-8,13H2,1-6H3",PIYHDSUVUSVLGU,UHFFFAOYSA,N,Cubebinin,PIYHDSUVUSVLGU-UHFFFAOYSA-N
HMDB33274,694.116999406,C33H26O17,OC1C(O)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OCC2OC1OC1=CC(O)=C(C(=O)C2=CC=CC=C2)C(O)=C1,"InChI=1S/C33H26O17/c34-15-6-12(7-16(35)22(15)23(38)11-4-2-1-3-5-11)48-33-29(44)28(43)30-19(49-33)10-47-31(45)13-8-17(36)24(39)26(41)20(13)21-14(32(46)50-30)9-18(37)25(40)27(21)42/h1-9,19,28-30,33-37,39-44H,10H2",RPZNIDVYYGUDPA,UHFFFAOYSA,N,Guavin B,RPZNIDVYYGUDPA-UHFFFAOYSA-N
HMDB33275,388.115817616,C20H20O8,COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(O)C(OC)=C(OC)C(OC)=C2O1,"InChI=1S/C20H20O8/c1-23-11-8-6-10(7-9-11)15-17(24-2)13(21)12-14(22)18(25-3)20(27-5)19(26-4)16(12)28-15/h6-9,22H,1-5H3",KBYYZSYVUWCARH,UHFFFAOYSA,N,5-Hydroxyauranetin,KBYYZSYVUWCARH-UHFFFAOYSA-N
HMDB33276,374.100167552,C19H18O8,COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2O,"InChI=1S/C19H18O8/c1-23-13-5-9(6-14(24-2)17(13)22)12-7-10(20)16-11(21)8-15(25-3)18(26-4)19(16)27-12/h5-8,21-22H,1-4H3",RVWHDZPNRAOQDC,UHFFFAOYSA,N,"4',5-Dihydroxy-3',5',7,8-tetramethoxyflavone",RVWHDZPNRAOQDC-UHFFFAOYSA-N
HMDB33277,430.162767808,C23H26O8,COC1=C(O)C=CC(=C1)C1OCC2C(OCC12OC(C)=O)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C23H26O8/c1-13(24)31-23-12-30-21(14-6-8-18(26-2)20(9-14)28-4)16(23)11-29-22(23)15-5-7-17(25)19(10-15)27-3/h5-10,16,21-22,25H,11-12H2,1-4H3",ZVILPMKYRJCFAE,UHFFFAOYSA,N,8-Acetoxy-4'-methoxypinoresinol,ZVILPMKYRJCFAE-UHFFFAOYSA-N
HMDB33278,592.215591238,C29H36O13,COC1=C(OC)C=C(C=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C29H36O13/c1-14(31)42-29-13-39-26(15-5-7-18(35-2)20(9-15)36-3)17(29)12-38-27(29)16-6-8-19(21(10-16)37-4)40-28-25(34)24(33)23(32)22(11-30)41-28/h5-10,17,22-28,30,32-34H,11-13H2,1-4H3",ZKCRENDTQNGLGO,UHFFFAOYSA,N,8-Acetoxy-4'-methoxypinoresinol 4-glucoside,ZKCRENDTQNGLGO-UHFFFAOYSA-N
HMDB33279,374.136553058,C20H22O7,COC1=C(O)C=CC(=C1)C1OCC2(O)C1COC2C1=CC(OC)=C(O)C=C1,"InChI=1S/C20H22O7/c1-24-16-7-11(3-5-14(16)21)18-13-9-26-19(20(13,23)10-27-18)12-4-6-15(22)17(8-12)25-2/h3-8,13,18-19,21-23H,9-10H2,1-2H3",CICMVLOHBZPXIT,UHFFFAOYSA,N,8-Hydroxypinoresinol,CICMVLOHBZPXIT-UHFFFAOYSA-N
HMDB33280,416.147117744,C22H24O8,COC1=C(O)C=CC(=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(O)C=C1,"InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3",NATDFORNCKZPCI,UHFFFAOYSA,N,8-Acetoxypinoresinol,NATDFORNCKZPCI-UHFFFAOYSA-N
HMDB33281,536.189376488,C26H32O12,COC1=C(O)C=CC(=C1)C1OCC2(OC3OC(CO)C(O)C(O)C3O)C1COC2C1=CC(OC)=C(O)C=C1,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(13-4-6-16(29)18(8-13)34-2)26(14,11-36-23)38-25-22(32)21(31)20(30)19(9-27)37-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",DRAPQDCEBKBPQE,UHFFFAOYSA,N,8-Hydroxypinoresinol 8-glucoside,DRAPQDCEBKBPQE-UHFFFAOYSA-N
HMDB33282,536.189376488,C26H32O12,COC1=C(O)C=CC(=C1)C1OCC2(O)C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",ORRYWOBRSQRASU,UHFFFAOYSA,N,8-Hydroxypinoresinol 4-glucoside,ORRYWOBRSQRASU-UHFFFAOYSA-N
HMDB33283,578.199941174,C28H34O13,COC1=C(O)C=CC(=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C28H34O13/c1-13(30)41-28-12-38-25(14-4-6-17(31)19(8-14)35-2)16(28)11-37-26(28)15-5-7-18(20(9-15)36-3)39-27-24(34)23(33)22(32)21(10-29)40-27/h4-9,16,21-27,29,31-34H,10-12H2,1-3H3",ARPKCZZZMDEOIF,UHFFFAOYSA,N,8-Acetoxypinoresinol 4-glucoside,ARPKCZZZMDEOIF-UHFFFAOYSA-N
HMDB33284,388.152203122,C21H24O7,COC1=C(OC)C=C(C=C1)C1OCC2(O)C1COC2C1=CC(OC)=C(O)C=C1,"InChI=1S/C21H24O7/c1-24-16-7-5-12(8-18(16)26-3)19-14-10-27-20(21(14,23)11-28-19)13-4-6-15(22)17(9-13)25-2/h4-9,14,19-20,22-23H,10-11H2,1-3H3",JDOYVXXEQQTICM,UHFFFAOYSA,N,8-Hydroxy-4'-methoxypinoresinol,JDOYVXXEQQTICM-UHFFFAOYSA-N
HMDB33285,128.047344122,C6H8O3,CC(O)C1OC(=O)C=C1,"InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h2-5,7H,1H3",BGMOXLYBBTWIMD,UHFFFAOYSA,N,L-erythro-5-(1-Hydroxyethyl)-2(5H)-furanone,BGMOXLYBBTWIMD-UHFFFAOYSA-N
HMDB33286,130.062994186,C6H10O3,CC(O)C1CCC(=O)O1,"InChI=1S/C6H10O3/c1-4(7)5-2-3-6(8)9-5/h4-5,7H,2-3H2,1H3",KBLZKAKKJPDYKJ,UHFFFAOYSA,N,Sherry lactone,KBLZKAKKJPDYKJ-UHFFFAOYSA-N
HMDB33287,400.07943211,C20H16O9,OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(=O)C(O)=C2C(O)=C(O)C(O)=CC2=C1,"InChI=1S/C20H16O9/c21-9-4-11(22)10-6-14(25)20(29-15(10)5-9)8-1-7-2-13(24)18(27)19(28)16(7)17(26)12(23)3-8/h1-5,14,20-22,24-25,27-28H,6H2,(H,23,26)",KOXRJHMEFYNYME,UHFFFAOYSA,N,Theaflagallin,KOXRJHMEFYNYME-UHFFFAOYSA-N
HMDB33288,552.090390726,C27H20O13,OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(=O)C(O)=C2C(O)=C(O)C(O)=CC2=C1,"InChI=1S/C27H20O13/c28-12-6-14(29)13-8-20(40-27(38)11-4-15(30)22(34)16(31)5-11)26(39-19(13)7-12)10-1-9-2-18(33)24(36)25(37)21(9)23(35)17(32)3-10/h1-7,20,26,28-31,33-34,36-37H,8H2,(H,32,35)",CMGRMMSVGCHWOK,UHFFFAOYSA,N,Epitheaflagallin 3-O-gallate,CMGRMMSVGCHWOK-UHFFFAOYSA-N
HMDB33289,588.163161738,C32H28O11,COC1=CC2=C(C(O)=C3C(=O)C=C(C)OC3=C2C2=C(OC)C=C3C=C4OC(C)(O)CC(=O)C4=C(O)C3=C2OC)C(OC)=C1,"InChI=1S/C32H28O11/c1-13-7-17(33)26-29(36)23-16(10-15(38-3)11-20(23)40-5)24(31(26)42-13)27-19(39-4)8-14-9-21-25(18(34)12-32(2,37)43-21)28(35)22(14)30(27)41-6/h7-11,35-37H,12H2,1-6H3",XQLGSHUQZMPBGG,UHFFFAOYSA,N,Aurasperone E,XQLGSHUQZMPBGG-UHFFFAOYSA-N
HMDB33290,346.141638436,C19H22O6,CC(C)CC(=O)OC1C(O)C2=C(OC1(C)C)C=CC1=C2OC(=O)C=C1,"InChI=1S/C19H22O6/c1-10(2)9-14(21)24-18-16(22)15-12(25-19(18,3)4)7-5-11-6-8-13(20)23-17(11)15/h5-8,10,16,18,22H,9H2,1-4H3",GWZZKJQYTUFZHD,UHFFFAOYSA,N,Junosmarin,GWZZKJQYTUFZHD-UHFFFAOYSA-N
HMDB33291,286.084123558,C16H14O5,COC1=CC2=C(C=C1O)C1COC3=C(C=CC(O)=C3)C1O2,"InChI=1S/C16H14O5/c1-19-15-6-14-10(5-12(15)18)11-7-20-13-4-8(17)2-3-9(13)16(11)21-14/h2-6,11,16-18H,7H2,1H3",FPPWIEZFMZZUPL,UHFFFAOYSA,N,"3,8-Dihydroxy-9-methoxypterocarpan",FPPWIEZFMZZUPL-UHFFFAOYSA-N
HMDB33292,300.099773622,C17H16O5,COC1=CC2=C(C=C1)C1OC3=CC(OC)=C(O)C=C3C1CO2,"InChI=1S/C17H16O5/c1-19-9-3-4-10-14(5-9)21-8-12-11-6-13(18)16(20-2)7-15(11)22-17(10)12/h3-7,12,17-18H,8H2,1-2H3",KIKDCPYSYOMXEJ,UHFFFAOYSA,N,"8-Hydroxy-3,9-dimethoxypterocarpan",KIKDCPYSYOMXEJ-UHFFFAOYSA-N
HMDB33293,296.177630012,C20H24O2,COC(CCC1=CC=CC=C1)CC(=O)CCC1=CC=CC=C1,"InChI=1S/C20H24O2/c1-22-20(15-13-18-10-6-3-7-11-18)16-19(21)14-12-17-8-4-2-5-9-17/h2-11,20H,12-16H2,1H3",PVYORFBABSDDNC,UHFFFAOYSA,N,"5-Methoxy-1,7-diphenyl-3-heptanone",PVYORFBABSDDNC-UHFFFAOYSA-N
HMDB33294,312.172544634,C20H24O3,COC(CCC1=CC=C(O)C=C1)CC(=O)CCC1=CC=CC=C1,"InChI=1S/C20H24O3/c1-23-20(14-10-17-7-11-18(21)12-8-17)15-19(22)13-9-16-5-3-2-4-6-16/h2-8,11-12,20-21H,9-10,13-15H2,1H3",XXVCRBHITJEJAY,UHFFFAOYSA,N,5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone,XXVCRBHITJEJAY-UHFFFAOYSA-N
HMDB33295,280.146329884,C19H20O2,OC1=CC=C(CC\C=C\C(=O)CCC2=CC=CC=C2)C=C1,"InChI=1S/C19H20O2/c20-18(13-10-16-6-2-1-3-7-16)9-5-4-8-17-11-14-19(21)15-12-17/h1-3,5-7,9,11-12,14-15,21H,4,8,10,13H2/b9-5+",VPCHZECKYCDVSA,WEVVVXLNSA,N,7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one,VPCHZECKYCDVSA-WEVVVXLNSA-N
HMDB33296,582.188982558,C34H30O9,CC1=CC(C(C(C1)C1=C(O)C=C(O)C=C1)C(=O)C1=C(O)C=C(O)C=C1)C1=C(O)C=C(\C=C\C2=C(O)C=C(O)C=C2)C=C1O,"InChI=1S/C34H30O9/c1-17-10-25(23-8-6-21(36)15-28(23)39)32(34(43)24-9-7-22(37)16-29(24)40)26(11-17)33-30(41)12-18(13-31(33)42)2-3-19-4-5-20(35)14-27(19)38/h2-9,11-16,25-26,32,35-42H,10H2,1H3/b3-2+",YYUHPJKWIHNMSV,NSCUHMNNSA,N,Kuwanon Y,YYUHPJKWIHNMSV-NSCUHMNNSA-N
HMDB33297,594.152597052,C34H26O10,CC12CC(C3=C(O1)C=C(O)C=C3)C13OC1(OC1=CC(\C=C/C4=C(O)C=C(O)C=C4)=CC(O)=C1C3C2=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C34H26O10/c1-32-15-23(21-8-6-20(37)14-27(21)42-32)33-30(31(32)41)29-26(40)10-16(2-3-17-4-5-18(35)12-24(17)38)11-28(29)43-34(33,44-33)22-9-7-19(36)13-25(22)39/h2-14,23,30,35-40H,15H2,1H3/b3-2-",HEAKAXOVOXEHND,IHWYPQMZSA,N,Kuwanon Z,HEAKAXOVOXEHND-IHWYPQMZSA-N
HMDB33298,316.094688244,C17H16O6,COC1=C2C(=O)C(CC3=CC(O)=C(O)C=C3)COC2=CC(O)=C1,"InChI=1S/C17H16O6/c1-22-14-6-11(18)7-15-16(14)17(21)10(8-23-15)4-9-2-3-12(19)13(20)5-9/h2-3,5-7,10,18-20H,4,8H2,1H3",MEVZQUMOUGNZRF,UHFFFAOYSA,N,"3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone",MEVZQUMOUGNZRF-UHFFFAOYSA-N
HMDB33299,330.110338308,C18H18O6,COC1=C(O)C=C(CC2COC3=CC(O)=CC(OC)=C3C2=O)C=C1,"InChI=1S/C18H18O6/c1-22-14-4-3-10(6-13(14)20)5-11-9-24-16-8-12(19)7-15(23-2)17(16)18(11)21/h3-4,6-8,11,19-20H,5,9H2,1-2H3",DQWZEKHEHONAKP,UHFFFAOYSA,N,7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone,DQWZEKHEHONAKP-UHFFFAOYSA-N
HMDB33300,376.136946988,C16H24O10,COC1=C(O)C=CC(=C1)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,"InChI=1S/C16H24O10/c1-24-10-4-7(2-3-8(10)19)15(9(20)5-17)26-16-14(23)13(22)12(21)11(6-18)25-16/h2-4,9,11-23H,5-6H2,1H3",XIMYPIWCALSSQZ,UHFFFAOYSA,N,"(1RS,2RS)-Guaiacylglycerol 1-glucoside",XIMYPIWCALSSQZ-UHFFFAOYSA-N
HMDB33301,376.136946988,C16H24O10,COC1=C(O)C=CC(=C1)C(O)C(CO)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H24O10/c1-24-9-4-7(2-3-8(9)19)12(20)10(5-17)25-16-15(23)14(22)13(21)11(6-18)26-16/h2-4,10-23H,5-6H2,1H3",UKYKCLFPJXHNON,UHFFFAOYSA,N,"(1x,2x)-Guaiacylglycerol 2-glucoside",UKYKCLFPJXHNON-UHFFFAOYSA-N
HMDB33302,130.062994186,C6H10O3,CC1CC(O)CC(=O)O1,"InChI=1S/C6H10O3/c1-4-2-5(7)3-6(8)9-4/h4-5,7H,2-3H2,1H3",KKZQBMBBMJKIRQ,UHFFFAOYSA,N,"(4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one",KKZQBMBBMJKIRQ-UHFFFAOYSA-N
HMDB33303,204.07864425,C12H12O3,CC1(C)OC2=C(C=C1)C=C(C=C2)C(O)=O,"InChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14)",AXICIBPYBONRSP,UHFFFAOYSA,N,Anofinic acid,AXICIBPYBONRSP-UHFFFAOYSA-N
HMDB33304,364.094688244,C21H16O6,CC1=C2C(O)=C(CC3=C(O)C4=C(C)C=CC=C4OC3=O)C(=O)OC2=CC=C1,"InChI=1S/C21H16O6/c1-10-5-3-7-14-16(10)18(22)12(20(24)26-14)9-13-19(23)17-11(2)6-4-8-15(17)27-21(13)25/h3-8,22-23H,9H2,1-2H3",JUCUEMBIORWHSB,UHFFFAOYSA,N,Gerberinol,JUCUEMBIORWHSB-UHFFFAOYSA-N
HMDB33305,270.089208936,C16H14O4,COC1=CC=C2C3OC4=CC(O)=CC=C4C3COC2=C1,"InChI=1S/C16H14O4/c1-18-10-3-5-12-14(7-10)19-8-13-11-4-2-9(17)6-15(11)20-16(12)13/h2-7,13,16-17H,8H2,1H3",YHZDBBUEVZEOIY,UHFFFAOYSA,N,Isomedicarpin,YHZDBBUEVZEOIY-UHFFFAOYSA-N
HMDB33306,374.100167552,C19H18O8,COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-13(11)24-2)12-8-10(20)14-15(21)18(25-3)16(22)19(26-4)17(14)27-12/h5-8,21-22H,1-4H3",QCOSAYZZNVASNN,UHFFFAOYSA,N,Hymenoxin,QCOSAYZZNVASNN-UHFFFAOYSA-N
HMDB33307,242.057908808,C14H10O4,OC1=CC=C2C=C(OC2=C1)C1=CC(O)=CC(O)=C1,"InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H",LHPRYOJTASOZGJ,UHFFFAOYSA,N,Moracin M,LHPRYOJTASOZGJ-UHFFFAOYSA-N
HMDB33308,272.068473494,C15H12O5,COC1=C(O)C=C2C=C(OC2=C1)C1=CC(O)=CC(O)=C1,"InChI=1S/C15H12O5/c1-19-15-7-14-9(4-12(15)18)5-13(20-14)8-2-10(16)6-11(17)3-8/h2-7,16-18H,1H3",UUWOGANMKVBGHH,UHFFFAOYSA,N,Moracin J,UUWOGANMKVBGHH-UHFFFAOYSA-N
HMDB33309,286.084123558,C16H14O5,COC1=C(OC)C=C2C=C(OC2=C1)C1=CC(O)=CC(O)=C1,"InChI=1S/C16H14O5/c1-19-15-6-10-5-13(21-14(10)8-16(15)20-2)9-3-11(17)7-12(18)4-9/h3-8,17-18H,1-2H3",MQRQKQBOYQLFAI,UHFFFAOYSA,N,Moracin F,MQRQKQBOYQLFAI-UHFFFAOYSA-N
HMDB33310,310.120509064,C19H18O4,CC(C)=CCC1=C(O)C=C(C=C1O)C1=CC2=CC=C(O)C=C2O1,"InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3",ZTGHWUWBQNCCOH,UHFFFAOYSA,N,Moracin C,ZTGHWUWBQNCCOH-UHFFFAOYSA-N
HMDB33311,324.136159128,C20H20O4,COC1=CC(O)=CC(C2=CC3=C(O2)C=C(O)C=C3)=C1CC=C(C)C,"InChI=1S/C20H20O4/c1-12(2)4-7-16-17(9-15(22)11-19(16)23-3)20-8-13-5-6-14(21)10-18(13)24-20/h4-6,8-11,21-22H,7H2,1-3H3",MRJQFSZVXAESPR,UHFFFAOYSA,N,Moracin I,MRJQFSZVXAESPR-UHFFFAOYSA-N
HMDB33312,308.104859,C19H16O4,CC1(C)OC2=CC(=CC(O)=C2C=C1)C1=CC2=C(O1)C=C(O)C=C2,"InChI=1S/C19H16O4/c1-19(2)6-5-14-15(21)7-12(9-18(14)23-19)16-8-11-3-4-13(20)10-17(11)22-16/h3-10,20-21H,1-2H3",CHAAQDMHLLQJRO,UHFFFAOYSA,N,Moracin D,CHAAQDMHLLQJRO-UHFFFAOYSA-N
HMDB33313,308.104859,C19H16O4,CC1(C)OC2=CC(O)=CC(C3=CC4=C(O3)C=C(O)C=C4)=C2C=C1,"InChI=1S/C19H16O4/c1-19(2)6-5-14-15(8-13(21)10-18(14)23-19)17-7-11-3-4-12(20)9-16(11)22-17/h3-10,20-21H,1-2H3",GDSYWTBPYYYLLE,UHFFFAOYSA,N,Moracin E,GDSYWTBPYYYLLE-UHFFFAOYSA-N
HMDB33314,308.104859,C19H16O4,CC1=CCC2=C(OC1)C=CC1=C2OC(=C1)C1=CC(O)=CC(O)=C1,"InChI=1S/C19H16O4/c1-11-2-4-16-17(22-10-11)5-3-12-8-18(23-19(12)16)13-6-14(20)9-15(21)7-13/h2-3,5-9,20-21H,4,10H2,1H3",PRQYZCKJWCQXNM,UHFFFAOYSA,N,Moracin G,PRQYZCKJWCQXNM-UHFFFAOYSA-N
HMDB33315,338.115423686,C20H18O5,COC1=CC2=C(CC=C(C)CO2)C2=C1C=C(O2)C1=CC(O)=CC(O)=C1,"InChI=1S/C20H18O5/c1-11-3-4-15-19(24-10-11)9-18(23-2)16-8-17(25-20(15)16)12-5-13(21)7-14(22)6-12/h3,5-9,21-22H,4,10H2,1-2H3",QRLJHLHVDMQXPO,UHFFFAOYSA,N,Moracin H,QRLJHLHVDMQXPO-UHFFFAOYSA-N
HMDB33316,464.219888756,C28H32O6,CC(C)=CCC1=C(O)C2=C(OC3=C(C2=O)C(CC=C(C)C)=C(O)C(O)=C3CC=C(C)C)C=C1O,"InChI=1S/C28H32O6/c1-14(2)7-10-17-20(29)13-21-23(24(17)30)27(33)22-18(11-8-15(3)4)25(31)26(32)19(28(22)34-21)12-9-16(5)6/h7-9,13,29-32H,10-12H2,1-6H3",WVJYEKGQSBGNRP,UHFFFAOYSA,N,Garcinone E,WVJYEKGQSBGNRP-UHFFFAOYSA-N
HMDB33317,252.115029756,C17H16O2,OC1=CC=C(\C=C/C\C=C/C2=CC(O)=CC=C2)C=C1,"InChI=1S/C17H16O2/c18-16-11-9-14(10-12-16)5-2-1-3-6-15-7-4-8-17(19)13-15/h2-13,18-19H,1H2/b5-2-,6-3-",AZKBYAXRLNBEPV,SXUARNTMSA,N,"(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene",AZKBYAXRLNBEPV-SXUARNTMSA-N
HMDB33318,328.094688244,C18H16O6,OCC1OC2=CC=C(\C=C/C=O)C=C2OC1C1=CC=C(O)C(O)=C1,"InChI=1S/C18H16O6/c19-7-1-2-11-3-6-15-16(8-11)24-18(17(10-20)23-15)12-4-5-13(21)14(22)9-12/h1-9,17-18,20-22H,10H2/b2-1-",SDDXIQONGFZHJH,UPHRSURJSA,N,Isoamericanin A,SDDXIQONGFZHJH-UPHRSURJSA-N
HMDB33319,370.178023942,C22H26O5,COC1=CC(\C=C/C)=CC2=C1OC(C2C)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C22H26O5/c1-7-8-14-9-16-13(2)20(27-21(16)17(10-14)23-3)15-11-18(24-4)22(26-6)19(12-15)25-5/h7-13,20H,1-6H3/b8-7-",GPTWTKZDAAYJRN,FPLPWBNLSA,N,Licarin C,GPTWTKZDAAYJRN-FPLPWBNLSA-N
HMDB33320,1142.479001066,C55H82O21S2,CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)CC=C,"InChI=1S/C55H82O21S2/c1-10-11-28(2)12-15-51(5,57)50-30(4)20-39-38(71-50)26-46-55(9,74-39)49(56)48-42(70-46)24-41-47(72-48)29(3)13-16-53(7)44(69-41)27-43-54(8,76-53)17-14-31-32(68-43)21-34-33(65-31)22-35-36(66-34)23-40-37(67-35)25-45(75-78(61,62)63)52(6,73-40)18-19-64-77(58,59)60/h10,12,15,29,31-50,56-57H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,58,59,60)(H,61,62,63)/b15-12+",HCYDZFJGUKMTQB,NTCAYCPXSA,N,Yessotoxin,HCYDZFJGUKMTQB-NTCAYCPXSA-N
HMDB33321,300.063388116,C16H12O6,OC1C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC=CC=C1,"InChI=1S/C16H12O6/c17-12-11-9(6-10-16(13(11)18)21-7-20-10)22-15(14(12)19)8-4-2-1-3-5-8/h1-6,14-15,18-19H,7H2",WVADKXWSLHLDCL,UHFFFAOYSA,N,"3,5-Dihydroxy-6,7-methylenedioxyflavanone",WVADKXWSLHLDCL-UHFFFAOYSA-N
HMDB33322,482.121296924,C25H22O10,COC1=CC(=CC=C1O)C1OC2=C(OC1CO)C=C(C=C2)C1OC2=C(C(O)=CC(O)=C2)C(=O)C1O,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3",FDQAOULAVFHKBX,UHFFFAOYSA,N,Isosilybin,FDQAOULAVFHKBX-UHFFFAOYSA-N
HMDB33323,482.121296924,C25H22O10,COC1=C(O)C=CC(=C1)C1OC2=C(O)C=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=C2C1CO,"InChI=1S/C25H22O10/c1-33-17-6-10(2-4-14(17)28)23-13(9-26)19-12(3-5-15(29)25(19)35-23)24-22(32)21(31)20-16(30)7-11(27)8-18(20)34-24/h2-8,13,22-24,26-30,32H,9H2,1H3",QYCJAWYDGRZSTO,UHFFFAOYSA,N,Isosilychristin,QYCJAWYDGRZSTO-UHFFFAOYSA-N
HMDB33324,466.126382302,C25H22O9,COC1=C(O)C=CC(=C1)C1OC2=C(C=C(C=C2O)C2CC(=O)C3=C(O)C=C(O)C=C3O2)C1CO,"InChI=1S/C25H22O9/c1-32-21-6-11(2-3-16(21)28)24-15(10-26)14-4-12(5-19(31)25(14)34-24)20-9-18(30)23-17(29)7-13(27)8-22(23)33-20/h2-8,15,20,24,26-29,31H,9-10H2,1H3",AQRHXQBZDLTXPO,UHFFFAOYSA,N,Silyhermin,AQRHXQBZDLTXPO-UHFFFAOYSA-N
HMDB33325,466.126382302,C25H22O9,COC1=C(O)C=CC(=C1)C1OC2=C(OC1CO)C=C(C=C2)C1CC(=O)C2=C(O1)C=C(O)C=C2O,"InChI=1S/C25H22O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-9,19,23,25-29H,10-11H2,1H3",CRPGUMMYQABYES,UHFFFAOYSA,N,Silandrin,CRPGUMMYQABYES-UHFFFAOYSA-N
HMDB33326,274.047738052,C14H10O6,COC1=C2C(=O)C3=C(OC2=C(O)C=C1O)C(O)=CC=C3,"InChI=1S/C14H10O6/c1-19-13-8(16)5-9(17)14-10(13)11(18)6-3-2-4-7(15)12(6)20-14/h2-5,15-17H,1H3",POWRXIZFZXGLOK,UHFFFAOYSA,N,BR-Xanthone B,POWRXIZFZXGLOK-UHFFFAOYSA-N
HMDB33327,596.465204402,C35H64O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC(O)CC1=C(C)COC1=O,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-28(36)18-13-12-14-20-29(37)25-30-27(2)26-41-35(30)40/h28-29,31-34,36-39H,3-26H2,1-2H3",FZKCHWNHNWJHIW,UHFFFAOYSA,N,Annonacin,FZKCHWNHNWJHIW-UHFFFAOYSA-N
HMDB33328,396.1572885,C23H24O6,CC1(C)CCC2=C(O)C3=C(OC4=CC(O)=C5OC(C)(C)CCC5=C4C3=O)C=C2O1,"InChI=1S/C23H24O6/c1-22(2)7-5-11-14(28-22)10-16-18(19(11)25)20(26)17-12-6-8-23(3,4)29-21(12)13(24)9-15(17)27-16/h9-10,24-25H,5-8H2,1-4H3",QFURCBFEIGTKCW,UHFFFAOYSA,N,BR-Xanthone A,QFURCBFEIGTKCW-UHFFFAOYSA-N
HMDB33329,230.057908808,C13H10O4,COC1=C2C(=O)OC(C)=CC2=CC2=C1C=CO2,"InChI=1S/C13H10O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-6H,1-2H3",BUZQIMYNOWPYHH,UHFFFAOYSA,N,Coriandrin,BUZQIMYNOWPYHH-UHFFFAOYSA-N
HMDB33330,232.073558872,C13H12O4,COC1=C2C(=O)OC(C)CC2=CC2=C1C=CO2,"InChI=1S/C13H12O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-4,6-7H,5H2,1-2H3",LJCCQQNTPLPSNX,UHFFFAOYSA,N,Dihydrocoriandrin,LJCCQQNTPLPSNX-UHFFFAOYSA-N
HMDB33331,294.125594442,C19H18O3,CC(=C)\C=C/C1=C(O)C=CC(\C=C/C2=CC(O)=CC(O)=C2)=C1,"InChI=1S/C19H18O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-12,20-22H,1H2,2H3/b5-4-,7-3-",MNTCXQWBUINPSP,HMXOFHOESA,N,"(E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene",MNTCXQWBUINPSP-HMXOFHOESA-N
HMDB33332,428.18350325,C24H28O7,COC1=C(O)C=C2OC3=C(C(O)=C(CC=C(C)C)C(O)=C3)C(=O)C2=C1CCC(C)(C)O,"InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3",TYALNCRUIKOKGP,UHFFFAOYSA,N,Garcinone D,TYALNCRUIKOKGP-UHFFFAOYSA-N
HMDB33333,274.084123558,C15H14O5,CC(C)=CCC12OC1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C15H14O5/c1-7(2)5-6-15-13(19)11-9(17)4-3-8(16)10(11)12(18)14(15)20-15/h3-5,14,16-17H,6H2,1-2H3",TWESJUCJKWFWQV,UHFFFAOYSA,N,"2,3-Epoxysesamone",TWESJUCJKWFWQV-UHFFFAOYSA-N
HMDB33334,566.41825421,C33H58O7,CCC(C1OC(C)(CC1C)C12OC(C)C(CC)(CC1C)O2)C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C,"InChI=1S/C33H58O7/c1-12-25(27(35)22(8)26(34)23(9)28-18(4)15-20(6)32(36,14-3)39-28)29-19(5)16-30(11,38-29)33-21(7)17-31(13-2,40-33)24(10)37-33/h18-26,28-29,34,36H,12-17H2,1-11H3",HTVYQCLJTJPTPF,UHFFFAOYSA,N,Antibiotic X 14889D,HTVYQCLJTJPTPF-UHFFFAOYSA-N
HMDB33335,614.402998076,C33H58O10,CCC(C1OC(C)(CC1C)C1(O)OC(CC)(CC1C)C(C)O)C(=O)C(C)C(O)C(C)C1OC(O)(CC(O)=O)C(C)CC1C,"InChI=1S/C33H58O10/c1-11-24(29-18(4)14-30(10,41-29)33(40)20(6)15-31(12-2,43-33)23(9)34)27(38)21(7)26(37)22(8)28-17(3)13-19(5)32(39,42-28)16-25(35)36/h17-24,26,28-29,34,37,39-40H,11-16H2,1-10H3,(H,35,36)",PMDYHIAMOYUOJS,UHFFFAOYSA,N,Antibiotic X 14889C,PMDYHIAMOYUOJS-UHFFFAOYSA-N
HMDB33336,584.428818896,C33H60O8,CCC(C1OC(C)(CC1C)C1(O)OC(CC)(CC1C)C(C)O)C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C,"InChI=1S/C33H60O8/c1-12-25(27(36)22(8)26(35)23(9)28-18(4)15-20(6)32(37,14-3)40-28)29-19(5)16-30(11,39-29)33(38)21(7)17-31(13-2,41-33)24(10)34/h18-26,28-29,34-35,37-38H,12-17H2,1-11H3",CQTXDSXQPBLXND,UHFFFAOYSA,N,Antibiotic X 14889A,CQTXDSXQPBLXND-UHFFFAOYSA-N
HMDB33337,431.194402287,C23H29NO7,COC(=O)\C(=C/C)\C=C(/C)\C=C(\C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O,"InChI=1S/C23H29NO7/c1-6-17(19(27)30-5)13-15(3)12-14(2)8-7-9-16(4)18(26)23-20(31-23)22(29,10-11-25)24-21(23)28/h6-9,12-13,20,25,29H,10-11H2,1-5H3,(H,24,28)/b8-7+,14-12-,15-13+,16-9+,17-6-",FZFYFSUIOSWLHW,OFIJGTIXSA,N,Fusarin C,FZFYFSUIOSWLHW-OFIJGTIXSA-N
HMDB33338,432.061195227,C21H17ClO8,CC1=C2C(OC3=C(OC2=O)C(O)=C2OC(C)(C)CC(=O)C2=C3C)=C(C=O)C(O)=C1Cl,"InChI=1S/C21H17ClO8/c1-7-12-17(9(6-23)14(25)13(7)22)28-16-8(2)11-10(24)5-21(3,4)30-18(11)15(26)19(16)29-20(12)27/h6,25-26H,5H2,1-4H3",BUWVABSQGVRXOI,UHFFFAOYSA,N,Mollicellin F,BUWVABSQGVRXOI-UHFFFAOYSA-N
HMDB33339,382.10525293,C21H18O7,CC1=CC(O)=C(C=O)C2=C1C(=O)OC1=C(O2)C(C)=C2C(=O)CC(C)(C)OC2=C1,"InChI=1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)26-15-6-14-17(10(2)18(15)27-19)13(24)7-21(3,4)28-14/h5-6,8,23H,7H2,1-4H3",UGFXPOLXTFFCRX,UHFFFAOYSA,N,Mollicellin A,UGFXPOLXTFFCRX-UHFFFAOYSA-N
HMDB33340,382.10525293,C21H18O7,CC1=CC(O)=C(C=O)C2=C1C(=O)OC1=C(O2)C=C2OC(C)(C)CC(=O)C2=C1C,"InChI=1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)27-18-10(2)17-13(24)7-21(3,4)28-14(17)6-15(18)26-19/h5-6,8,23H,7H2,1-4H3",OMOOHFQAZTVBPK,UHFFFAOYSA,N,Mollicellin B,OMOOHFQAZTVBPK-UHFFFAOYSA-N
HMDB33341,412.115817616,C22H20O8,COC1=C(O)C2=C(OC3=C(C(C)=CC(O)=C3C=O)C(=O)O2)C(C)=C1C(=O)C=C(C)C,"InChI=1S/C22H20O8/c1-9(2)6-14(25)16-11(4)18-21(17(26)20(16)28-5)30-22(27)15-10(3)7-13(24)12(8-23)19(15)29-18/h6-8,24,26H,1-5H3",RPSLZGPKLQLZGH,UHFFFAOYSA,N,Mollicellin C,RPSLZGPKLQLZGH-UHFFFAOYSA-N
HMDB33342,446.076845291,C22H19ClO8,COC1=C(O)C2=C(OC3=C(C=O)C(O)=C(Cl)C(C)=C3C(=O)O2)C(C)=C1C(=O)C=C(C)C,"InChI=1S/C22H19ClO8/c1-8(2)6-12(25)13-10(4)18-21(17(27)20(13)29-5)31-22(28)14-9(3)15(23)16(26)11(7-24)19(14)30-18/h6-7,26-27H,1-5H3",JTGLZOMMRQOKBM,UHFFFAOYSA,N,Mollicellin E,JTGLZOMMRQOKBM-UHFFFAOYSA-N
HMDB33343,404.102666111,C21H21ClO6,CC(C)=CCC1=C(C)C2=C(OC3=C(C(C)=C(Cl)C(O)=C3CO)C(=O)O2)C=C1O,"InChI=1S/C21H21ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7,23-25H,6,8H2,1-4H3",AINFZKIGIQBKDM,UHFFFAOYSA,N,Mollicellin D,AINFZKIGIQBKDM-UHFFFAOYSA-N
HMDB33344,368.125988372,C21H20O6,CC(C)=CCC1=C(C)C2=C(OC3=C(C(C)=CC(O)=C3C=O)C(=O)O2)C=C1O,"InChI=1S/C21H20O6/c1-10(2)5-6-13-12(4)19-17(8-16(13)24)26-20-14(9-22)15(23)7-11(3)18(20)21(25)27-19/h5,7-9,23-24H,6H2,1-4H3",FMQCQXQSBWELFR,UHFFFAOYSA,N,Mollicellin H,FMQCQXQSBWELFR-UHFFFAOYSA-N
HMDB33345,275.115758037,C15H17NO4,CN1C2=C(CC(O2)C(C)(C)O)C(=O)C2=C1C=CC(O)=C2,"InChI=1S/C15H17NO4/c1-15(2,19)12-7-10-13(18)9-6-8(17)4-5-11(9)16(3)14(10)20-12/h4-6,12,17,19H,7H2,1-3H3",ONPUKGULNMQBLF,UHFFFAOYSA,N,(±)-Ribaline,ONPUKGULNMQBLF-UHFFFAOYSA-N
HMDB33346,290.139233133,C16H20NO4,COC1=C2CC(OC2=[N+](C)C2=C1C=C(O)C=C2)C(C)(C)O,"InChI=1S/C16H19NO4/c1-16(2,19)13-8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-13/h5-7,13,19H,8H2,1-4H3/p+1",RUZDYQSFFIVRRP,UHFFFAOYSA,O,Ribalinium,RUZDYQSFFIVRRP-UHFFFAOYSA-O
HMDB33347,314.175618639,C19H24NO3,COC1=C(O)C=C2CC[N+](C)(C)C(CC3=CC=C(O)C=C3)C2=C1,"InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-18(22)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)/p+1",ZKTMLINFIQCERN,UHFFFAOYSA,O,Lotusine,ZKTMLINFIQCERN-UHFFFAOYSA-O
HMDB33348,290.139233133,C16H20NO4,COC1=C2C=C(O)C=CC2=[N+](C)C2=C1CC(O)C(C)(C)O2,"InChI=1S/C16H19NO4/c1-16(2)13(19)8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-16/h5-7,13,19H,8H2,1-4H3/p+1",YNZXAOOXQYAYLT,UHFFFAOYSA,O,Rutalinium,YNZXAOOXQYAYLT-UHFFFAOYSA-O
HMDB33349,233.068807845,C12H11NO4,COC1=CC(=O)N(C)C2=C1C=CC1=C2OCO1,"InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3",DPXXJCMMMXZVSW,UHFFFAOYSA,N,Casimiroin,DPXXJCMMMXZVSW-UHFFFAOYSA-N
HMDB33350,236.044189774,C11H12N2S2,CSC(=S)NCC1=CNC2=C1C=CC=C2,"InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)",QYKQWFZDEDFELK,UHFFFAOYSA,N,Brassinin,QYKQWFZDEDFELK-UHFFFAOYSA-N
HMDB33351,266.05475446,C12H14N2OS2,CON1C=C(CNC(=S)SC)C2=C1C=CC=C2,"InChI=1S/C12H14N2OS2/c1-15-14-8-9(7-13-12(16)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,16)",KFZBENSULWNJKD,UHFFFAOYSA,N,Methoxybrassinin,KFZBENSULWNJKD-UHFFFAOYSA-N
HMDB33352,234.02853971,C11H10N2S2,CSC1=NCC2=C(NC3=C2C=CC=C3)S1,"InChI=1S/C11H10N2S2/c1-14-11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3",MVMVWNMQGBYIDM,UHFFFAOYSA,N,Cyclobrassinin,MVMVWNMQGBYIDM-UHFFFAOYSA-N
HMDB33353,916.466780122,C45H72O19,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-36(55)33(52)38(27(15-47)60-40)63-42-37(56)34(53)39(28(16-48)61-42)62-41-35(54)32(51)31(50)26(14-46)59-41/h18-28,30-42,46-48,50-56H,5-17H2,1-4H3",KTFHPQODYKNDKE,UHFFFAOYSA,N,Agavasaponin C,KTFHPQODYKNDKE-UHFFFAOYSA-N
HMDB33354,325.131408101,C19H19NO4,COC1=C(O)C=C2CC3N(C)CCC4=CC5=C(OCO5)C(C2=C1)=C34,"InChI=1S/C19H19NO4/c1-20-4-3-10-7-16-19(24-9-23-16)18-12-8-15(22-2)14(21)6-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3",MPWZJVCAMFAIGV,UHFFFAOYSA,N,Cassythicine,MPWZJVCAMFAIGV-UHFFFAOYSA-N
HMDB33355,277.110278729,C18H15NO2,CN1CCC2=CC3=C(OCO3)C3=C2C1=CC1=CC=CC=C31,"InChI=1S/C18H15NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,8-9H,6-7,10H2,1H3",YUWBTKIVDAWQHK,UHFFFAOYSA,N,Dehydroaporheine,YUWBTKIVDAWQHK-UHFFFAOYSA-N
HMDB33356,356.186183325,C21H26NO4,COC1=C(O)C=C2CC3C4=C(C(OC)=C(OC)C=C4CC[N+]3(C)C)C2=C1,"InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1",FGUCOPALAZXICJ,UHFFFAOYSA,O,Xanthoplanine,FGUCOPALAZXICJ-UHFFFAOYSA-O
HMDB33357,313.131408101,C18H19NO4,COC1=C(O)C=C2CC3NCCC4=CC(OC)=C(O)C(C2=C1)=C34,"InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",HORZNQYQXBFWNZ,UHFFFAOYSA,N,Laurelliptine,HORZNQYQXBFWNZ-UHFFFAOYSA-N
HMDB33358,323.115758037,C19H17NO4,CN1CCC2=CC3=C(OCO3)C3=C2C1CC1=CC2=C(OCO2)C=C31,"InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3",GKEOKAJRKHTDOS,UHFFFAOYSA,N,(S)-Neolitsine,GKEOKAJRKHTDOS-UHFFFAOYSA-N
HMDB33359,309.100107973,C18H15NO4,C1OC2=C(O1)C=C1C(CC3NCCC4=CC5=C(OCO5)C1=C34)=C2,"InChI=1S/C18H15NO4/c1-2-19-12-3-10-5-13-14(21-7-20-13)6-11(10)17-16(12)9(1)4-15-18(17)23-8-22-15/h4-6,12,19H,1-3,7-8H2",OMIDMWVBRZAVMK,UHFFFAOYSA,N,Cryptodorine,OMIDMWVBRZAVMK-UHFFFAOYSA-N
HMDB33360,325.131408101,C19H19NO4,COC1=C2C3=CC4=C(OCO4)C=C3CC3N(C)CCC(C=C1O)=C23,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-14(21)19(22-2)18-12-8-16-15(23-9-24-16)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3",OGJUMNZGTZWIBO,UHFFFAOYSA,N,Isodomesticine,OGJUMNZGTZWIBO-UHFFFAOYSA-N
HMDB33361,311.115758037,C18H17NO4,COC1=C2C3=CC4=C(OCO4)C=C3CC3NCCC(C=C1O)=C23,"InChI=1S/C18H17NO4/c1-21-18-13(20)5-9-2-3-19-12-4-10-6-14-15(23-8-22-14)7-11(10)17(18)16(9)12/h5-7,12,19-20H,2-4,8H2,1H3",GUVKEPNWVHYXGH,UHFFFAOYSA,N,Norisodomesticine,GUVKEPNWVHYXGH-UHFFFAOYSA-N
HMDB33362,311.115758037,C18H17NO4,COC1=C(O)C=CC2=C1C1=C3C(C2)NCCC3=CC2=C1OCO2,"InChI=1S/C18H17NO4/c1-21-17-12(20)3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17/h2-3,7,11,19-20H,4-6,8H2,1H3",CFUKKPQRQGCLAT,UHFFFAOYSA,N,(S)-Nandigerine,CFUKKPQRQGCLAT-UHFFFAOYSA-N
HMDB33363,327.147058165,C19H21NO4,COC1=C(OC)C2=C(CC3NCCC4=CC(OC)=C(O)C2=C34)C=C1,"InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)18(21)17(15)16(10)19(13)24-3/h4-5,9,12,20-21H,6-8H2,1-3H3",HVMMFGYMZZVURQ,UHFFFAOYSA,N,Norcorydine,HVMMFGYMZZVURQ-UHFFFAOYSA-N
HMDB33364,141.115364107,C8H15NO,CCC(=O)C1CCCCN1,"InChI=1S/C8H15NO/c1-2-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3",FDOBDBWYWMTMKT,UHFFFAOYSA,N,Conhydrinone,FDOBDBWYWMTMKT-UHFFFAOYSA-N
HMDB33365,123.104799421,C8H13N,C\C=C/C1=NCCCC1,"InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2,5H,3-4,6-7H2,1H3/b5-2-",SOEACRLLVZHBKW,DJWKRKHSSA,N,2-(1-Propenyl)-delta1-piperideine,SOEACRLLVZHBKW-DJWKRKHSSA-N
HMDB33366,341.126322723,C19H19NO5,COC1=C(OC)C2=C3C(CC4=CC5=C(OCO5)C=C24)NCC(O)C3=C1,"InChI=1S/C19H19NO5/c1-22-16-6-11-13(21)7-20-12-3-9-4-14-15(25-8-24-14)5-10(9)18(17(11)12)19(16)23-2/h4-6,12-13,20-21H,3,7-8H2,1-2H3",FQGXOUZHUXOCIV,UHFFFAOYSA,N,4-Hydroxynornantenine,FQGXOUZHUXOCIV-UHFFFAOYSA-N
HMDB33367,335.079372531,C19H13NO5,COC1=C(OC)C2=C3C(C=CN=C3C(=O)C3=CC4=C(OCO4)C=C23)=C1,"InChI=1S/C19H13NO5/c1-22-14-5-9-3-4-20-17-15(9)16(19(14)23-2)10-6-12-13(25-8-24-12)7-11(10)18(17)21/h3-7H,8H2,1-2H3",NFDVJYPMLVMXRR,UHFFFAOYSA,N,Oxonantenine,NFDVJYPMLVMXRR-UHFFFAOYSA-N
HMDB33368,342.116211546,C12H22O11,OCC1O[C@@H](O[C@H]2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",GUBGYTABKSRVRQ,WFVLMXAXSA,N,DEAE-cellulose,GUBGYTABKSRVRQ-WFVLMXAXSA-N
HMDB33369,680.23750847,C25H44O21,COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O,"InChI=1S/C25H44O21/c1-39-22-16(36)12(32)19(7(3-27)41-22)45-24-18(38)14(34)21(9(5-29)43-24)46-25-17(37)13(33)20(8(4-28)42-25)44-23-15(35)11(31)10(30)6(2-26)40-23/h6-38H,2-5H2,1H3",UFVKGYZPFZQRLF,UHFFFAOYSA,N,Hydroxypropyl methyl cellulose,UFVKGYZPFZQRLF-UHFFFAOYSA-N
HMDB33370,454.241412058,C20H38O11,CCOCC1OC(OC)C(OCC)C(OCC)C1OC1OC(CO)C(OC)C(O)C1O,"InChI=1S/C20H38O11/c1-6-26-10-12-16(17(27-7-2)18(28-8-3)20(25-5)30-12)31-19-14(23)13(22)15(24-4)11(9-21)29-19/h11-23H,6-10H2,1-5H3",ZZSNKZQZMQGXPY,UHFFFAOYSA,N,Ethyl cellulose,ZZSNKZQZMQGXPY-UHFFFAOYSA-N
HMDB33371,184.146329884,C11H20O2,CC(CCOC=O)CCC=C(C)C,"InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3",DZNVIZQPWLDQHI,UHFFFAOYSA,N,Citronellyl formate,DZNVIZQPWLDQHI-UHFFFAOYSA-N
HMDB33372,356.292659768,C21H40O4,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(O)=O,"InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24/h19H,3-18H2,1-2H3,(H,23,24)",QMGGUIASDZZMHS,UHFFFAOYSA,N,Stearoyllactic acid,QMGGUIASDZZMHS-UHFFFAOYSA-N
HMDB33373,210.092579754,C8H18O4S,CCCCC(CC)COS(O)(=O)=O,"InChI=1S/C8H18O4S/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)",MHGOKSLTIUHUBF,UHFFFAOYSA,N,2-Ethyl-1-hexanol sulfate,MHGOKSLTIUHUBF-UHFFFAOYSA-N
HMDB33374,337.098393413,C16H19NO5S,CC1=CC=C(C=C1)S(O)(=O)=O.NCC(=O)OCC1=CC=CC=C1,"InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)",WJKJXKRHMUXQSL,UHFFFAOYSA,N,Benzyl glycinate 4-methylbenzenesulfonate salt,WJKJXKRHMUXQSL-UHFFFAOYSA-N
HMDB33375,282.146723814,C15H22O5,CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3",NRPKURNSADTHLJ,UHFFFAOYSA,N,Octyl gallate,NRPKURNSADTHLJ-UHFFFAOYSA-N
HMDB33376,178.099379692,C11H14O2,CCCC(=O)OCC1=CC=CC=C1,"InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3",VONGZNXBKCOUHB,UHFFFAOYSA,N,Phenylmethyl butanoate,VONGZNXBKCOUHB-UHFFFAOYSA-N
HMDB33377,170.13067982,C10H18O2,CCCC(=O)OCC\C=C/CC,"InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-",ZCHOPXVYTWUHDS,WAYWQWQTSA,N,cis-3-Hexenyl butyrate,ZCHOPXVYTWUHDS-WAYWQWQTSA-N
HMDB33378,198.161979948,C12H22O2,CCCCCC(=O)OCC\C=C/CC,"InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-",RGACQXBDYBCJCY,ALCCZGGFSA,N,cis-3-Hexenyl hexanoate,RGACQXBDYBCJCY-ALCCZGGFSA-N
HMDB33379,204.115029756,C13H16O2,CC\C=C/CCOC(=O)C1=CC=CC=C1,"InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3-",BCOXBEHFBZOJJZ,ARJAWSKDSA,N,cis-3-Hexenyl benzoate,BCOXBEHFBZOJJZ-ARJAWSKDSA-N
HMDB33380,192.115029756,C12H16O2,CC(C)CCOC(=O)C1=CC=CC=C1,"InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",MLLAPOCBLWUFAP,UHFFFAOYSA,N,3-Methylbutyl benzoate,MLLAPOCBLWUFAP-UHFFFAOYSA-N
HMDB33381,423.019491165,C16H13N3O7S2,NC1=C2C(O)=C(\N=N\C3=CC=CC=C3)C(=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C16H13N3O7S2/c17-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)19-18-10-4-2-1-3-5-10/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26)/b19-18+",UDCKXEFJOHLCKM,VHEBQXMUSA,N,"5-Amino-4-hydroxy-3-(phenylazo)-2,7-naphthalenedisulfonic acid",UDCKXEFJOHLCKM-VHEBQXMUSA-N
HMDB33382,148.088815006,C10H12O,CC(C=O)C1=CC=C(C)C=C1,"InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-7,9H,1-2H3",JTZWVKUZBNHSSW,UHFFFAOYSA,N,2-(4-Methylphenyl)propanal,JTZWVKUZBNHSSW-UHFFFAOYSA-N
HMDB33383,436.039892256,C18H16N2O7S2,CC1=CC(C)=C(C=C1\N=N\C1=C(O)C2=CC=CC=C2C(=C1)S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C18H16N2O7S2/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)/b20-19+",DZCOAQKTFAIFRV,FMQUCBEESA,N,C.I. Food Red 1,DZCOAQKTFAIFRV-FMQUCBEESA-N
HMDB33384,555.022861983,C24H17N3O7S3,CC1=C(C2=C(C=C1)N=C(S2)C1=CC=C(C=C1)\N=N\C1=C(O)C2=CC=CC=C2C(=C1)S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C24H17N3O7S3/c1-13-6-11-18-22(23(13)37(32,33)34)35-24(25-18)14-7-9-15(10-8-14)26-27-19-12-20(36(29,30)31)16-4-2-3-5-17(16)21(19)28/h2-12,28H,1H3,(H,29,30,31)(H,32,33,34)/b27-26+",NAXWWTPJXAIEJE,CYYJNZCTSA,N,C.I. Direct Red 45,NAXWWTPJXAIEJE-CYYJNZCTSA-N
HMDB33385,711.243677439,C39H41N3O6S2,CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O,"InChI=1S/C39H41N3O6S2/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48)",IHZXTIBMKNSJCJ,UHFFFAOYSA,N,C.I. Acid Violet 49,IHZXTIBMKNSJCJ-UHFFFAOYSA-N
HMDB33386,178.099379692,C11H14O2,CC(=O)OCCCC1=CC=CC=C1,"InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3",JRJGKUTZNBZHNK,UHFFFAOYSA,N,3-Phenylpropyl acetate,JRJGKUTZNBZHNK-UHFFFAOYSA-N
HMDB33389,778.996783165,C28H21N5O14S4,CC(=O)NC1=CC=C(C2=CC(=C(\N=N\C3=C4C=C(C=CC4=C(C=C3)\N=N\C3=CC=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C28H21N5O14S4/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)/b31-30+,33-32+",RXERRVKLABZRCU,CJQWSLHQSA,N,C.I. Food Black 1,RXERRVKLABZRCU-CJQWSLHQSA-N
HMDB33390,554.118142576,C27H26N2O7S2,CN(C)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](C)C)C1=C(O)C(=CC2=C1C=CC(=C2)S(O)(=O)=O)S([O-])(=O)=O,"InChI=1S/C27H26N2O7S2/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36/h5-16H,1-4H3,(H2,31,32,33,34,35,36)",QEFJYMFUMVHTBR,UHFFFAOYSA,N,C.I. Acid Green 50,QEFJYMFUMVHTBR-UHFFFAOYSA-N
HMDB33391,748.15829283,C37H36N2O9S3,CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC=C(C=C1)S(O)(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O,"InChI=1S/C37H36N2O9S3/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)",FVGANPIKNNCIKX,UHFFFAOYSA,N,C.I. Acid Green 5,FVGANPIKNNCIKX-UHFFFAOYSA-N
HMDB33392,458.024242192,C20H14N2O7S2,OC1=C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C2=CC=C(C=C2C=C1)S(O)(=O)=O,"InChI=1S/C20H14N2O7S2/c23-18-9-5-12-11-13(30(24,25)26)6-7-14(12)20(18)22-21-17-8-10-19(31(27,28)29)16-4-2-1-3-15(16)17/h1-11,23H,(H,24,25,26)(H,27,28,29)/b22-21+",NLWPUNWFCUWCEU,QURGRASLSA,N,C.I. Acid Red 13,NLWPUNWFCUWCEU-QURGRASLSA-N
HMDB33393,736.986218479,C26H19N5O13S4,NC1=C(C=C2C=C(C(\N=N\C3=CC=C(\N=N\C4=CC=C(C=C4)S(O)(=O)=O)C4=C3C=C(C=C4)S(O)(=O)=O)=C(O)C2=C1)S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C26H19N5O13S4/c27-20-12-18-13(9-23(20)47(39,40)41)10-24(48(42,43)44)25(26(18)32)31-30-22-8-7-21(17-6-5-16(11-19(17)22)46(36,37)38)29-28-14-1-3-15(4-2-14)45(33,34)35/h1-12,32H,27H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)/b29-28+,31-30+",DUUHLAZWLLCPSP,DUJDKOHPSA,N,C.I. Food Black 2,DUUHLAZWLLCPSP-DUJDKOHPSA-N
HMDB33394,182.094294314,C10H14O3,CCC1=CC(OC)=C(O)C(OC)=C1,"InChI=1S/C10H14O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h5-6,11H,4H2,1-3H3",PJWDIHUFLXQRFF,UHFFFAOYSA,N,"4-Ethyl-2,6-dimethoxyphenol",PJWDIHUFLXQRFF-UHFFFAOYSA-N
HMDB33395,838.28954404,C39H50O20,COC1=CC=C(C=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O1)C(CC=C(C)C)=C(OC1OC(CO)C(O)C(O)C1O)C=C2O,"InChI=1S/C39H50O20/c1-14(2)5-10-18-20(55-38-32(50)29(47)25(43)21(12-40)56-38)11-19(41)23-27(45)36(34(58-35(18)23)16-6-8-17(52-4)9-7-16)59-39-33(51)30(48)26(44)22(57-39)13-53-37-31(49)28(46)24(42)15(3)54-37/h5-9,11,15,21-22,24-26,28-33,37-44,46-51H,10,12-13H2,1-4H3",SFPBPCAQVDGNMT,UHFFFAOYSA,N,"3,5,7-Trihydroxy-4'-methoxy-8-prenylflavone 3-[rhamnosyl-(1->6)-galactoside] 7-galactoside",SFPBPCAQVDGNMT-UHFFFAOYSA-N
HMDB33396,1338.645591924,C63H102O30,CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O,"InChI=1S/C63H102O30/c1-24-47(89-52-46(80)48(28(67)22-83-52)90-51-42(76)36(70)27(66)21-82-51)41(75)45(79)53(85-24)92-50-49(91-55-44(78)40(74)38(72)31(20-65)87-55)29(68)23-84-56(50)93-57(81)63-16-15-58(2,3)17-26(63)25-9-10-33-60(6)13-12-35(88-54-43(77)39(73)37(71)30(19-64)86-54)59(4,5)32(60)11-14-61(33,7)62(25,8)18-34(63)69/h9,24,26-56,64-80H,10-23H2,1-8H3",VXYPUHHQOBARSV,UHFFFAOYSA,N,"(3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester",VXYPUHHQOBARSV-UHFFFAOYSA-N
HMDB33397,603.361861543,C30H53NO11,CCCCC(C)C(=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C30H53NO11/c1-6-7-10-19(3)29(39)26(42-28(38)16-22(30(40)41)15-27(36)37)14-18(2)13-23(33)11-8-9-12-24(34)17-25(35)20(4)31-21(5)32/h18-20,22-26,33-35H,6-17H2,1-5H3,(H,31,32)(H,36,37)(H,40,41)",QROJNSDGLZKJGS,UHFFFAOYSA,N,Fumonisin AK1,QROJNSDGLZKJGS-UHFFFAOYSA-N
HMDB33398,362.245709576,C22H34O4,CC(=O)OCC1(C)CCCC2(C)C3CCC4CC3(CC4C(O)=O)CCC12,"InChI=1S/C22H34O4/c1-14(23)26-13-20(2)8-4-9-21(3)17(20)7-10-22-11-15(5-6-18(21)22)16(12-22)19(24)25/h15-18H,4-13H2,1-3H3,(H,24,25)",ZKXLEDOCSSUHKY,UHFFFAOYSA,N,Annoglabasin B,ZKXLEDOCSSUHKY-UHFFFAOYSA-N
HMDB33399,406.271924326,C24H38O5,CC(=O)OCC1(O)CC23CC1CCC2C1(C)CCCC(C)(COC(C)=O)C1CC3,"InChI=1S/C24H38O5/c1-16(25)28-14-21(3)9-5-10-22(4)19(21)8-11-23-12-18(6-7-20(22)23)24(27,13-23)15-29-17(2)26/h18-20,27H,5-15H2,1-4H3",OQDCKOUFTOKDOD,UHFFFAOYSA,N,Annocherin A,OQDCKOUFTOKDOD-UHFFFAOYSA-N
HMDB33400,390.240624198,C23H34O5,COC(=O)C1(CC23CC1CCC2C1(C)CCCC(C)(C=O)C1CC3)OC(C)=O,"InChI=1S/C23H34O5/c1-15(25)28-23(19(26)27-4)13-22-11-8-17-20(2,14-24)9-5-10-21(17,3)18(22)7-6-16(23)12-22/h14,16-18H,5-13H2,1-4H3",GBAYHCBQSSWKTG,UHFFFAOYSA,N,Annoglabasin A,GBAYHCBQSSWKTG-UHFFFAOYSA-N
HMDB33401,1096.530168238,C51H84O25,CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C51H84O25/c1-18-5-8-51(67-17-18)19(2)32-27(76-51)10-22-20-9-24(56)23-11-26(25(57)12-50(23,4)21(20)6-7-49(22,32)3)68-45-41(66)38(63)42(31(16-55)72-45)73-48-44(75-47-40(65)37(62)34(59)29(14-53)70-47)43(35(60)30(15-54)71-48)74-46-39(64)36(61)33(58)28(13-52)69-46/h18-48,52-66H,5-17H2,1-4H3",IFCJNJJMBPXNRD,UHFFFAOYSA,N,Yayoisaponin C,IFCJNJJMBPXNRD-UHFFFAOYSA-N
HMDB33402,1226.556776918,C56H90O29,CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(=O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C56H90O29/c1-19-5-8-56(75-17-19)20(2)34-29(85-56)10-23-21-9-25(61)24-11-28(26(62)12-55(24,4)22(21)6-7-54(23,34)3)76-50-43(72)40(69)45(33(16-60)80-50)81-53-48(47(38(67)32(15-59)79-53)83-49-41(70)35(64)27(63)18-74-49)84-52-44(73)46(37(66)31(14-58)78-52)82-51-42(71)39(68)36(65)30(13-57)77-51/h19-25,27-53,57-61,63-73H,5-18H2,1-4H3",JPQIKXKRKWQQOU,UHFFFAOYSA,N,Yayoisaponin B,JPQIKXKRKWQQOU-UHFFFAOYSA-N
HMDB33403,1228.572426982,C56H92O29,CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C56H92O29/c1-19-5-8-56(75-17-19)20(2)34-29(85-56)10-23-21-9-25(61)24-11-28(26(62)12-55(24,4)22(21)6-7-54(23,34)3)76-50-43(72)40(69)45(33(16-60)80-50)81-53-48(47(38(67)32(15-59)79-53)83-49-41(70)35(64)27(63)18-74-49)84-52-44(73)46(37(66)31(14-58)78-52)82-51-42(71)39(68)36(65)30(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3",QBIKOFFLVHAXAD,UHFFFAOYSA,N,Yayoisaponin A,QBIKOFFLVHAXAD-UHFFFAOYSA-N
HMDB33404,824.419436,C42H64O16,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C42H64O16/c1-37(2)13-14-42(36(53)54)20(15-37)19-7-8-23-38(3)11-10-25(39(4,18-44)22(38)9-12-40(23,5)41(19,6)16-24(42)45)56-35-32(29(49)28(48)31(57-35)33(51)52)58-34-30(50)27(47)26(46)21(17-43)55-34/h7,18,20-32,34-35,43,45-50H,8-17H2,1-6H3,(H,51,52)(H,53,54)",MSSGJMKZJDPGIJ,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-glucuronide],MSSGJMKZJDPGIJ-UHFFFAOYSA-N
HMDB33405,970.477344808,C48H74O20,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(O)=O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C48H74O20/c1-20-28(52)30(54)32(56)39(63-20)66-35-34(58)36(38(59)60)67-41(37(35)68-40-33(57)31(55)29(53)23(18-49)64-40)65-27-11-12-44(4)24(45(27,5)19-50)10-13-46(6)25(44)9-8-21-22-16-43(2,3)14-15-48(22,42(61)62)26(51)17-47(21,46)7/h8,19-20,22-37,39-41,49,51-58H,9-18H2,1-7H3,(H,59,60)(H,61,62)",QRMHDTDMGJTOJK,UHFFFAOYSA,N,Quillaic acid 3-[rhamnosyl-(1->3)-[galactosyl-(1->2)]-glucuronide],QRMHDTDMGJTOJK-UHFFFAOYSA-N
HMDB33406,956.461694744,C47H72O20,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C47H72O20/c1-42(2)13-14-47(41(60)61)21(15-42)20-7-8-25-43(3)11-10-27(44(4,19-49)24(43)9-12-45(25,5)46(20,6)16-26(47)51)64-40-36(67-39-32(56)30(54)29(53)23(17-48)63-39)34(33(57)35(66-40)37(58)59)65-38-31(55)28(52)22(50)18-62-38/h7,19,21-36,38-40,48,50-57H,8-18H2,1-6H3,(H,58,59)(H,60,61)",KUOJCJXXMJCHIN,UHFFFAOYSA,N,Quillaic acid 3-[xylosyl-(1->3)-[galactosyl-(1->2)]-glucuronide],KUOJCJXXMJCHIN-UHFFFAOYSA-N
HMDB33407,1700.730503342,C77H120O41,CC1OC(OC2C(O)C(OC3OC(C)C(OC(C)=O)C(O)C3O)C(C)OC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O,"InChI=1S/C77H120O41/c1-26-54(108-29(4)80)44(89)49(94)66(105-26)112-56-28(3)107-69(60(51(56)96)116-67-50(95)45(90)55(27(2)106-67)111-65-53(98)57(34(83)24-104-65)113-63-46(91)40(85)32(81)22-102-63)118-71(101)77-18-17-72(5,6)19-31(77)30-11-12-37-73(7)15-14-39(74(8,25-79)36(73)13-16-75(37,9)76(30,10)20-38(77)84)110-70-61(117-68-48(93)43(88)42(87)35(21-78)109-68)58(52(97)59(115-70)62(99)100)114-64-47(92)41(86)33(82)23-103-64/h11,25-28,31-61,63-70,78,81-98H,12-24H2,1-10H3,(H,99,100)",DLMZYWJEFCXXFP,UHFFFAOYSA,N,Saponarioside B,DLMZYWJEFCXXFP-UHFFFAOYSA-N
HMDB33408,630.428424966,C41H58O5,COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC(=O)\C=C\C5=CC=C(OC)C=C5)C(C)(C)C4CCC3(C)C1(C)CC2,"InChI=1S/C41H58O5/c1-36(2)22-24-41(35(43)45-9)25-23-39(6)29(30(41)26-36)15-16-32-38(5)20-19-33(37(3,4)31(38)18-21-40(32,39)7)46-34(42)17-12-27-10-13-28(44-8)14-11-27/h10-15,17,30-33H,16,18-26H2,1-9H3/b17-12+",JDJFVYIDKQYTCC,SFQUDFHCSA,N,4-Methoxycinnamoyloleanolic acid methyl ester,JDJFVYIDKQYTCC-SFQUDFHCSA-N
HMDB33409,484.355260024,C31H48O4,COC(=O)C(\C)=C/CCC(C)C1CCC2(C)C3CCC(C(C)=C)C4(CCC(O)=O)CC34CCC12C,"InChI=1S/C31H48O4/c1-20(2)23-11-12-25-29(6)15-13-24(21(3)9-8-10-22(4)27(34)35-7)28(29,5)17-18-31(25)19-30(23,31)16-14-26(32)33/h10,21,23-25H,1,8-9,11-19H2,2-7H3,(H,32,33)/b22-10-",IVXMRCQSVUIHRC,YVNNLAQVSA,N,26-Methyl nigranoate,IVXMRCQSVUIHRC-YVNNLAQVSA-N
HMDB33410,1230.566947674,C59H90O27,C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C,"InChI=1S/C59H90O27/c1-10-24(2)49(76)86-46-47(79-25(3)63)59(23-62)27(17-54(46,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)66)81-53-45(85-51-40(72)38(70)37(69)30(19-60)80-51)42(41(73)43(83-53)48(74)75)82-52-44(36(68)29(65)21-78-52)84-50-39(71)35(67)28(64)20-77-50/h10-11,22,27-47,50-53,60,62,64-73H,12-21,23H2,1-9H3,(H,74,75)/b24-10-",WWVKOCDDDWJQLC,VROXFSQNSA,N,Theasaponin E1,WWVKOCDDDWJQLC-VROXFSQNSA-N
HMDB33411,1230.566947674,C59H90O27,C\C=C(\C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C,"InChI=1S/C59H90O27/c1-10-24(2)49(76)86-47-46(73)59(23-79-25(3)62)27(17-54(47,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)65)81-53-45(85-51-40(71)38(69)37(68)30(19-60)80-51)42(41(72)43(83-53)48(74)75)82-52-44(36(67)29(64)21-78-52)84-50-39(70)35(66)28(63)20-77-50/h10-11,22,27-47,50-53,60,63-73H,12-21,23H2,1-9H3,(H,74,75)/b24-10-",RPFAABJEBARVGF,VROXFSQNSA,N,Theasaponin E2,RPFAABJEBARVGF-VROXFSQNSA-N
HMDB33412,494.215197308,C25H34O10,CC12CCCC3(OC1=O)C1CCC4(CC1(CC4=C)C(C23)C(O)=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C25H34O10/c1-11-8-23-10-24(11,34-20-17(29)16(28)15(27)12(9-26)33-20)7-4-13(23)25-6-3-5-22(2,21(32)35-25)18(25)14(23)19(30)31/h12-18,20,26-29H,1,3-10H2,2H3,(H,30,31)",ZXTKKUHKNXKMEL,UHFFFAOYSA,N,Gibberellin A20 13-glucoside,ZXTKKUHKNXKMEL-UHFFFAOYSA-N
HMDB33420,364.152203122,C19H24O7,CC12C3C(C(O)=O)C45CC(C(O)CC4C3(OC1=O)C(O)CC2O)C(=C)C5,"InChI=1S/C19H24O7/c1-7-5-18-6-8(7)9(20)3-10(18)19-12(22)4-11(21)17(2,16(25)26-19)14(19)13(18)15(23)24/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)",QNHFLCWFHADENI,UHFFFAOYSA,N,Gibberellin A55,QNHFLCWFHADENI-UHFFFAOYSA-N
HMDB33421,412.334130652,C28H44O2,CC(C)C(C)\C=C\C(C)C1CCC2C3=CC4OC44CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25-28(30-25)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29H,9-14,16H2,1-6H3/b8-7+",KVMYKLHJBYIOKD,BQYQJAHWSA,N,"(5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol",KVMYKLHJBYIOKD-BQYQJAHWSA-N
HMDB33422,544.136946988,C30H24O10,OC1CC2=C(OC1C1=CC=C(O)C=C1)C1=C(OC3(OC4=C(C1C3O)C(O)=CC(O)=C4)C1=CC=C(O)C=C1)C=C2O,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2",LQRHGTVFFPMWCG,UHFFFAOYSA,N,"(2S,2''S,3S,3''R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan",LQRHGTVFFPMWCG-UHFFFAOYSA-N
HMDB33423,638.475769088,C37H66O8,CCCCCCC(O)CCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCCCCCC2=CC(C)OC2=O)O1,"InChI=1S/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3",HKIHGTSLUYNNHM,UHFFFAOYSA,N,"12,15-cis-Squamostatin A",HKIHGTSLUYNNHM-UHFFFAOYSA-N
HMDB33424,682.356441814,C35H54O13,CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(CO)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1,"InChI=1S/C35H54O13/c1-17-31(48-32-30(42)29(41)28(40)25(14-36)47-32)24(38)13-27(45-17)46-20-5-9-34(16-37)19(12-20)3-4-23-22(34)6-8-33(2)21(7-10-35(23,33)43)18-11-26(39)44-15-18/h11,17,19-25,27-32,36-38,40-43H,3-10,12-16H2,1-2H3",SKYFMHBUKICSBY,UHFFFAOYSA,N,"Cannogenol 3-[glucosyl-(1->4)-2,6-dideoxy-xylohexoside]",SKYFMHBUKICSBY-UHFFFAOYSA-N
HMDB33425,660.423733518,C38H60O9,CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C38H60O9/c1-21(2)10-9-11-23(33(44)47-34-32(43)31(42)30(41)27(20-39)46-34)24-14-18-38(8)26-12-13-28-35(4,5)29(45-22(3)40)16-17-36(28,6)25(26)15-19-37(24,38)7/h10,23-24,27-32,34,39,41-43H,9,11-20H2,1-8H3",LVGXQNCCBAHXHL,UHFFFAOYSA,N,Tsugaric acid A 21-glucosyl ester,LVGXQNCCBAHXHL-UHFFFAOYSA-N
HMDB33426,972.456609366,C47H72O21,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H72O21/c1-42(2)13-15-47(41(62)68-39-30(54)29(53)28(52)23(18-48)64-39)16-14-45(5)21(22(47)17-42)7-8-25-43(3)11-10-26(44(4,20-49)24(43)9-12-46(25,45)6)65-40-32(56)34(31(55)35(67-40)37(60)61)66-38(33(57)36(58)59)63-19-27(50)51/h7,22-26,28-35,38-40,48-49,52-57H,8-20H2,1-6H3,(H,50,51)(H,58,59)(H,60,61)",RUORMQGDEFZFBR,UHFFFAOYSA,N,Betavulgaroside VI,RUORMQGDEFZFBR-UHFFFAOYSA-N
HMDB33427,810.403785936,C41H62O16,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C41H62O16/c1-36(2)13-15-41(35(52)53)16-14-39(5)20(21(41)17-36)7-8-23-37(3)11-10-24(38(4,19-42)22(37)9-12-40(23,39)6)55-34-27(46)29(26(45)30(57-34)32(50)51)56-33(28(47)31(48)49)54-18-25(43)44/h7,21-24,26-30,33-34,42,45-47H,8-19H2,1-6H3,(H,43,44)(H,48,49)(H,50,51)(H,52,53)",CGACRJSIKAAWCW,UHFFFAOYSA,N,Betavulgaroside VII,CGACRJSIKAAWCW-UHFFFAOYSA-N
HMDB33428,254.141913208,C16H18N2O,CN1CC(C)(O)C=C2C1CC1=CNC3=CC=CC2=C13,"InChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3",BGVUWLLRNRBDAY,UHFFFAOYSA,N,(+)-Setoclavine,BGVUWLLRNRBDAY-UHFFFAOYSA-N
HMDB33429,219.125928793,C13H17NO2,CC(C)(O)C(CO)C1=CNC2=CC=CC=C12,"InChI=1S/C13H17NO2/c1-13(2,16)11(8-15)10-7-14-12-6-4-3-5-9(10)12/h3-7,11,14-16H,8H2,1-2H3",YIOZHBVIUYOSFP,UHFFFAOYSA,N,Tanakamine,YIOZHBVIUYOSFP-UHFFFAOYSA-N
HMDB33430,219.125928793,C13H17NO2,CC(C)(O)C(O)CC1=CNC2=CC=CC=C12,"InChI=1S/C13H17NO2/c1-13(2,16)12(15)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,12,14-16H,7H2,1-2H3",JPRWHAIHJJJQTF,UHFFFAOYSA,N,Tanakine,JPRWHAIHJJJQTF-UHFFFAOYSA-N
HMDB33431,350.126657074,C20H18N2O4,COC1=C(O)C=CC(=C1)C1OC2=C3C1C(=O)NCCC1=CNC(C=C2)=C31,"InChI=1S/C20H18N2O4/c1-25-15-8-10(2-4-13(15)23)19-18-17-14(26-19)5-3-12-16(17)11(9-22-12)6-7-21-20(18)24/h2-5,8-9,18-19,22-23H,6-7H2,1H3,(H,21,24)",GEJUXZYANAYHRZ,UHFFFAOYSA,N,Moschamindole,GEJUXZYANAYHRZ-UHFFFAOYSA-N
HMDB33432,294.173213336,C19H22N2O,CCC12CCCN3C=CC(=C13)C1=CC=CC=C1\N=C(O)/CC2,"InChI=1S/C19H22N2O/c1-2-19-10-5-12-21-13-9-15(18(19)21)14-6-3-4-7-16(14)20-17(22)8-11-19/h3-4,6-7,9,13H,2,5,8,10-12H2,1H3,(H,20,22)",VLQAFTDOIRUYSZ,UHFFFAOYSA,N,(R)-Rhazinilam,VLQAFTDOIRUYSZ-UHFFFAOYSA-N
HMDB33433,157.110278729,C8H15NO2,C[N+]1(C)CCCC[C@H]1C([O-])=O,"InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3/t7-/m0/s1",XULZWQRXYTVUTE,ZETCQYMHSA,N,(S)-Homostachydrine,XULZWQRXYTVUTE-ZETCQYMHSA-N
HMDB33434,138.10446507,C9H14O,CC(=O)C1CCC(C)=CC1,"InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3",HOBBEYSRFFJETF,UHFFFAOYSA,N,4-Acetyl-1-methylcyclohexene,HOBBEYSRFFJETF-UHFFFAOYSA-N
HMDB33435,297.136493479,C18H19NO3,COC1=CC=C(C=C1)C(O)CNC(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C18H19NO3/c1-22-16-10-8-15(9-11-16)17(20)13-19-18(21)12-7-14-5-3-2-4-6-14/h2-12,17,20H,13H2,1H3,(H,19,21)/b12-7+",QRFDENJATPJOKG,KPKJPENVSA,N,(±)-Aegeline,QRFDENJATPJOKG-KPKJPENVSA-N
HMDB33436,219.089543287,C12H13NO3,COC1=C(OC)C=C2C(C)=N(=O)C=CC2=C1,"InChI=1S/C12H13NO3/c1-8-10-7-12(16-3)11(15-2)6-9(10)4-5-13(8)14/h4-7H,1-3H3",GVQWAJKTFATJEW,UHFFFAOYSA,N,Nigellimine N-oxide,GVQWAJKTFATJEW-UHFFFAOYSA-N
HMDB33437,360.158625904,C21H20N4O2,COC1=CC=CC(CC2=NC=CN2)=C1OC1=CC=CC(CC2=NC=CN2)=C1,"InChI=1S/C21H20N4O2/c1-26-18-7-3-5-16(14-20-24-10-11-25-20)21(18)27-17-6-2-4-15(12-17)13-19-22-8-9-23-19/h2-12H,13-14H2,1H3,(H,22,23)(H,24,25)",YDQJXVYGARVLRT,UHFFFAOYSA,N,Lepidine,YDQJXVYGARVLRT-UHFFFAOYSA-N
HMDB33438,139.110947431,C7H13N3,CN(C)CCC1=CN=CN1,"InChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9)",ZJDIMSMQXMWMCF,UHFFFAOYSA,N,"Na,Na-Dimethylhistamine",ZJDIMSMQXMWMCF-UHFFFAOYSA-N
HMDB33439,413.147452095,C22H23NO7,[H][C@@]1(OC(=O)C2=C1C=CC(OC)=C2OC)[C@]1([H])N(C)CCC2=CC3=C(OCO3)C(OC)=C12,"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1",AKNNEGZIBPJZJG,MSOLQXFVSA,N,(-)-alpha-Narcotine,AKNNEGZIBPJZJG-MSOLQXFVSA-N
HMDB33440,399.131802031,C21H21NO7,COC1=C(OC)C2=C(C=C1)C(OC2=O)C1N(C)CCC2=CC3=C(OCO3)C(O)=C12,"InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3",LMGZCSKYOKDBES,UHFFFAOYSA,N,Narcotoline,LMGZCSKYOKDBES-UHFFFAOYSA-N
HMDB33441,413.147452095,C22H23NO7,COC1=C(OC)C2=C(C=C1)C(OC2=O)C1N(C)CCC2=CC3=C(OCO3)C(OC)=C12,"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3",AKNNEGZIBPJZJG,UHFFFAOYSA,N,(±)-alpha-Narcotine,AKNNEGZIBPJZJG-UHFFFAOYSA-N
HMDB33442,347.145440722,C14H23N2O8,COC1=C(CC(O)(CO)C\C1=[NH+]/C(C(C)O)C(O)=O)NCC(O)=O,"InChI=1S/C14H22N2O8/c1-7(18)11(13(21)22)16-9-4-14(23,6-17)3-8(12(9)24-2)15-5-10(19)20/h7,11,15,17-18,23H,3-6H2,1-2H3,(H,19,20)(H,21,22)/p+1/b16-9+",VIZAVBQHHMQOQF,CXUHLZMHSA,O,Mytilin B,VIZAVBQHHMQOQF-CXUHLZMHSA-O
HMDB33443,358.214409448,C22H30O4,COC1=CC(=O)C(O)=C(CCCCCCC\C=C\C\C=C\CC=C)C1=O,"InChI=1S/C22H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h3,5-6,8-9,17,24H,1,4,7,10-16H2,2H3/b6-5+,9-8+",FGWRUVXUQWGLOX,HHWLVVFRSA,N,Sorgoleone 358,FGWRUVXUQWGLOX-HHWLVVFRSA-N
HMDB33444,338.136553058,C17H22O7,CC(=O)OCC12C(O)C(=O)C(C)=CC1OC1C(O)CC2(C)C11CO1,"InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3",IDGRYIRJIFKTAN,UHFFFAOYSA,N,15-Acetyl-4-deoxynivalenol,IDGRYIRJIFKTAN-UHFFFAOYSA-N
HMDB33445,353.126322723,C20H19NO5,COC1=C(O)C=CC2=C1N(C)C1=CC3=C(C=CC(C)(C)O3)C(O)=C1C2=O,"InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-12-15(17(10)23)18(24)11-5-6-13(22)19(25-4)16(11)21(12)3/h5-9,22-23H,1-4H3",DCEKPLXGLUMXMB,UHFFFAOYSA,N,Honyumine,DCEKPLXGLUMXMB-UHFFFAOYSA-N
HMDB33446,339.110672659,C19H17NO5,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC3C1OCC3(C)O)C=C2O,"InChI=1S/C19H17NO5/c1-19(23)8-24-17-14-12(25-18(17)19)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3",SWALXCKAJQTSAC,UHFFFAOYSA,N,Rutagravine,SWALXCKAJQTSAC-UHFFFAOYSA-N
HMDB33447,327.183443671,C20H25NO3,CC(C)CNC(=O)\C=C\C=C\CC\C=C\C1=CC2=C(OCO2)C=C1,"InChI=1S/C20H25NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6-13,16H,3,5,14-15H2,1-2H3,(H,21,22)/b6-4+,9-7+,10-8+",BPSWISYORIWKCT,FCGWLDPVSA,N,Retrofractamide A,BPSWISYORIWKCT-FCGWLDPVSA-N
HMDB33448,329.199093735,C20H27NO3,CC(C)CNC(=O)\C=C\CCCC\C=C\C1=CC2=C(OCO2)C=C1,"InChI=1S/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h7-13,16H,3-6,14-15H2,1-2H3,(H,21,22)/b9-7+,10-8+",PAXQNYHJDFKFEU,FIFLTTCUSA,N,Retrofractamide C,PAXQNYHJDFKFEU-FIFLTTCUSA-N
HMDB33449,355.214743799,C22H29NO3,CC(C)CNC(=O)\C=C\C=C\CCCC\C=C\C1=CC2=C(OCO2)C=C1,"InChI=1S/C22H29NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h6,8-15,18H,3-5,7,16-17H2,1-2H3,(H,23,24)/b8-6+,11-9+,12-10+",RPOYGOULCHMVBB,ADDDGJNWSA,N,Pipercide,RPOYGOULCHMVBB-ADDDGJNWSA-N
HMDB33450,341.199093735,C21H27NO3,CC(C)CNC(=O)\C=C\C=C\CCC\C=C\C1=CC2=C(OCO2)C=C1,"InChI=1S/C21H27NO3/c1-17(2)15-22-21(23)11-9-7-5-3-4-6-8-10-18-12-13-19-20(14-18)25-16-24-19/h5,7-14,17H,3-4,6,15-16H2,1-2H3,(H,22,23)/b7-5+,10-8+,11-9+",QVKVGYVXAAXMSX,HJHGIKLDSA,N,Retrofractamide D,QVKVGYVXAAXMSX-HJHGIKLDSA-N
HMDB33451,435.215806431,C25H29N3O4,OC1=CC=C2C=C1OC1=CC=C(C=C1)\C=C\C(=O)NCCCNCCCCNC(=O)\C=C\2,"InChI=1S/C25H29N3O4/c29-22-11-6-20-8-13-25(31)27-16-2-1-14-26-15-3-17-28-24(30)12-7-19-4-9-21(10-5-19)32-23(22)18-20/h4-13,18,26,29H,1-3,14-17H2,(H,27,31)(H,28,30)/b12-7+,13-8+",QBKGCCSZLPZTIE,INOXDZRUSA,N,Cadabicine,QBKGCCSZLPZTIE-INOXDZRUSA-N
HMDB33452,227.094628665,C14H13NO2,COC1=CC(CO)=CC2=C1NC1=CC=CC=C21,"InChI=1S/C14H13NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-7,15-16H,8H2,1H3",KNKVHLASDDREQS,UHFFFAOYSA,N,Koenoline,KNKVHLASDDREQS-UHFFFAOYSA-N
HMDB33453,147.089543287,C6H13NO3,OCC1NCCC(O)C1O,"InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2",YZNNBIPIQWYLDM,UHFFFAOYSA,N,Fagomine,YZNNBIPIQWYLDM-UHFFFAOYSA-N
HMDB33454,239.152143543,C13H21NO3,C\C=C(/C)C(=O)OC1CC2CCC(C1)N2(C)=O,"InChI=1S/C13H21NO3/c1-4-9(2)13(15)17-12-7-10-5-6-11(8-12)14(10,3)16/h4,10-12H,5-8H2,1-3H3/b9-4+",VNARLHBYSZUQEN,RUDMXATFSA,N,3alpha-Tigloyloxytropane N-oxide,VNARLHBYSZUQEN-RUDMXATFSA-N
HMDB33455,197.084063979,C13H11NO,CC1=C(O)C=C2NC3=CC=CC=C3C2=C1,"InChI=1S/C13H11NO/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13(8)15/h2-7,14-15H,1H3",ZLOJFAGTWDOURE,UHFFFAOYSA,N,2-Hydroxy-3-methyl-9H-carbazole,ZLOJFAGTWDOURE-UHFFFAOYSA-N
HMDB33456,211.099714043,C14H13NO,COC1=C(C)C=C2C(NC3=CC=CC=C23)=C1,"InChI=1S/C14H13NO/c1-9-7-11-10-5-3-4-6-12(10)15-13(11)8-14(9)16-2/h3-8,15H,1-2H3",XYYYPIAQQFQTAN,UHFFFAOYSA,N,2-Methoxy-3-methyl-9H-carbazole,XYYYPIAQQFQTAN-UHFFFAOYSA-N
HMDB33457,322.095356946,C18H14N2O4,COCC1=CC=C(O1)C1=C2NC3=CC=CC=C3C2=CC(=N1)C(O)=O,"InChI=1S/C18H14N2O4/c1-23-9-10-6-7-15(24-10)17-16-12(8-14(20-17)18(21)22)11-4-2-3-5-13(11)19-16/h2-8,19H,9H2,1H3,(H,21,22)",DTVVELLZKPXBHH,UHFFFAOYSA,N,Flazine methyl ether,DTVVELLZKPXBHH-UHFFFAOYSA-N
HMDB33458,131.105862053,C5H13N3O,NCCCCNC(O)=N,"InChI=1S/C5H13N3O/c6-3-1-2-4-8-5(7)9/h1-4,6H2,(H3,7,8,9)",YANFYYGANIYHGI,UHFFFAOYSA,N,N-Carbamoylputrescine,YANFYYGANIYHGI-UHFFFAOYSA-N
HMDB33459,308.079706882,C17H12N2O4,OCC1=CC=C(O1)C1=C2NC3=CC=CC=C3C2=CC(=N1)C(O)=O,"InChI=1S/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22)",USBWYUYKHHILLZ,UHFFFAOYSA,N,Flazine,USBWYUYKHHILLZ-UHFFFAOYSA-N
HMDB33460,276.158625904,C14H20N4O2,NC(=N)NCCCCNC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+",AKIHYQWCLCDMMI,VMPITWQZSA,N,4-Hydroxycinnamoylagmatine,AKIHYQWCLCDMMI-VMPITWQZSA-N
HMDB33461,234.13682783,C13H18N2O2,NCCCCNC(=O)\C=C/C1=CC=C(O)C=C1,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5-",CJHDBEPXEKGBDW,YVMONPNESA,N,4-Coumaroylputrescine,CJHDBEPXEKGBDW-YVMONPNESA-N
HMDB33462,250.131742452,C13H18N2O3,NCCC(O)CNC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C13H18N2O3/c14-8-7-12(17)9-15-13(18)6-3-10-1-4-11(16)5-2-10/h1-6,12,16-17H,7-9,14H2,(H,15,18)/b6-3+",XBVRGBGSLROQIA,ZZXKWVIFSA,N,4-Coumaroyl-2-hydroxyputrescine,XBVRGBGSLROQIA-ZZXKWVIFSA-N
HMDB33463,264.147392516,C14H20N2O3,COC1=C(O)C=CC(\C=C/C(=O)NCCCCN)=C1,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5-",SFUVCMKSYKHYLD,ALCCZGGFSA,N,Subaphylline,SFUVCMKSYKHYLD-ALCCZGGFSA-N
HMDB33464,294.157957202,C15H22N2O4,COC1=CC(\C=C/C(=O)NCCCCN)=CC(OC)=C1O,"InChI=1S/C15H22N2O4/c1-20-12-9-11(10-13(21-2)15(12)19)5-6-14(18)17-8-4-3-7-16/h5-6,9-10,19H,3-4,7-8,16H2,1-2H3,(H,17,18)/b6-5-",ZYERUQAOCQZPJW,WAYWQWQTSA,N,Sinapoylputrescine,ZYERUQAOCQZPJW-WAYWQWQTSA-N
HMDB33465,280.142307138,C14H20N2O4,COC1=CC(\C=C\C(=O)NCC(O)CCN)=CC=C1O,"InChI=1S/C14H20N2O4/c1-20-13-8-10(2-4-12(13)18)3-5-14(19)16-9-11(17)6-7-15/h2-5,8,11,17-18H,6-7,9,15H2,1H3,(H,16,19)/b5-3+",MHXWDKFRPOVGGG,HWKANZROSA,N,Feruloyl-2-hydroxyputrescine,MHXWDKFRPOVGGG-HWKANZROSA-N
HMDB33466,380.173607266,C22H24N2O4,OC1=CC=C(\C=C\C(=O)NCCCCNC(=O)\C=C\C2=CC=C(O)C=C2)C=C1,"InChI=1S/C22H24N2O4/c25-19-9-3-17(4-10-19)7-13-21(27)23-15-1-2-16-24-22(28)14-8-18-5-11-20(26)12-6-18/h3-14,25-26H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7+,14-8+",PYVBFDCHJDMSMM,FNCQTZNRSA,N,Di-4-coumaroylputrescine,PYVBFDCHJDMSMM-FNCQTZNRSA-N
HMDB33467,412.16343651,C22H24N2O6,OC1=CC=C(\C=C\C(=O)NCCCCNC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C22H24N2O6/c25-17-7-3-15(13-19(17)27)5-9-21(29)23-11-1-2-12-24-22(30)10-6-16-4-8-18(26)20(28)14-16/h3-10,13-14,25-28H,1-2,11-12H2,(H,23,29)(H,24,30)/b9-5+,10-6+",WKIWXOKCKNMLIX,NXZHAISVSA,N,Dicaffeoylputrescine,WKIWXOKCKNMLIX-NXZHAISVSA-N
HMDB33468,440.194736638,C24H28N2O6,COC1=CC(\C=C\C(=O)NCCCCNC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O,"InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)25-13-3-4-14-26-24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)/b11-7+,12-8+",CHEMZHJQHCVLFI,MKICQXMISA,N,Diferuloylputrescine,CHEMZHJQHCVLFI-MKICQXMISA-N
HMDB33469,437.231456495,C25H31N3O4,OC1=CC=C(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\C2=CC=C(O)C=C2)C=C1,"InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)/b14-8+,15-9+",QYBCBMVQSCJMSA,VOMDNODZSA,N,"N1,N10-Dicoumaroylspermidine",QYBCBMVQSCJMSA-VOMDNODZSA-N
HMDB33470,483.236935803,C26H33N3O6,COC1=C(O)C=CC(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\C2=CC(O)=C(O)C=C2)=C1,"InChI=1S/C26H33N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-25(33)28-15-3-2-13-27-14-4-16-29-26(34)11-7-19-5-9-21(30)23(32)17-19/h5-12,17-18,27,30-32H,2-4,13-16H2,1H3,(H,28,33)(H,29,34)/b11-7+,12-8+",YUUGXIVVDZSRNR,MKICQXMISA,N,Caffeoylferuloylspermidine,YUUGXIVVDZSRNR-MKICQXMISA-N
HMDB33471,497.252585867,C27H35N3O6,COC1=CC(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C/C2=CC(OC)=C(O)C=C2)=CC=C1O,"InChI=1S/C27H35N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-26(33)29-16-4-3-14-28-15-5-17-30-27(34)13-9-21-7-11-23(32)25(19-21)36-2/h6-13,18-19,28,31-32H,3-5,14-17H2,1-2H3,(H,29,33)(H,30,34)/b12-8+,13-9-",IGHVUFYLAJSILE,UQXQTEIVSA,N,"N1,N10-Diferuloylspermidine",IGHVUFYLAJSILE-UQXQTEIVSA-N
HMDB33478,258.161979948,C17H22O2,CC(C)=CCC\C(C)=C/COC(=O)C1=CC=CC=C1,"InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12-",YDVXYTIIPGKIJP,QINSGFPZSA,N,Geranyl benzoate,YDVXYTIIPGKIJP-QINSGFPZSA-N
HMDB33479,408.27365566,C21H36N4O4,COC1=CC(\C=C/C(=O)N(CCCN)CCCCNCCCN)=CC(OC)=C1O,"InChI=1S/C21H36N4O4/c1-28-18-15-17(16-19(29-2)21(18)27)7-8-20(26)25(14-6-10-23)13-4-3-11-24-12-5-9-22/h7-8,15-16,24,27H,3-6,9-14,22-23H2,1-2H3/b8-7-",WBJCGTCMGYUEFL,FPLPWBNLSA,N,Sinapoylspermine,WBJCGTCMGYUEFL-FPLPWBNLSA-N
HMDB33480,279.089543287,C17H13NO3,CN1C2=CC=CC=C2C(=O)C=C1C1=CC2=C(OCO2)C=C1,"InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3",COBBNRKBTCBWQP,UHFFFAOYSA,N,Graveoline,COBBNRKBTCBWQP-UHFFFAOYSA-N
HMDB33481,260.152477894,C15H20N2O2,OC1CCN2CC3CC(CN4C(=O)C=CC=C34)C2C1,"InChI=1S/C15H20N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-12,14,18H,4-9H2",AOOCSKCGZYCEJX,UHFFFAOYSA,N,Baptifoline,AOOCSKCGZYCEJX-UHFFFAOYSA-N
HMDB33482,177.078978601,C10H11NO2,CC1CCC2=C1C=NC=C2C(O)=O,"InChI=1S/C10H11NO2/c1-6-2-3-7-8(6)4-11-5-9(7)10(12)13/h4-6H,2-3H2,1H3,(H,12,13)",RLNQBGQGMYNOCX,UHFFFAOYSA,N,Plantagonine,RLNQBGQGMYNOCX-UHFFFAOYSA-N
HMDB33483,284.165053953,C18H22NO2,CC1CCC2=C(CO)C=[N+](CCC3=CC=C(O)C=C3)C=C12,"InChI=1S/C18H21NO2/c1-13-2-7-17-15(12-20)10-19(11-18(13)17)9-8-14-3-5-16(21)6-4-14/h3-6,10-11,13,20H,2,7-9,12H2,1H3/p+1",XLWXLZKPQFKGJS,UHFFFAOYSA,O,"6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium",XLWXLZKPQFKGJS-UHFFFAOYSA-O
HMDB33484,177.115364107,C11H15NO,COCC1=C2CCC(C)C2=CN=C1,"InChI=1S/C11H15NO/c1-8-3-4-10-9(7-13-2)5-12-6-11(8)10/h5-6,8H,3-4,7H2,1-2H3",ZRJLCVQCZVXUFB,UHFFFAOYSA,N,(S)-Valerianine,ZRJLCVQCZVXUFB-UHFFFAOYSA-N
HMDB33485,165.078978601,C9H11NO2,CC1=C2C(O)OCCC2=CC=N1,"InChI=1S/C9H11NO2/c1-6-8-7(2-4-10-6)3-5-12-9(8)11/h2,4,9,11H,3,5H2,1H3",HCBOYQSYWSEVID,UHFFFAOYSA,N,Gentiatibetine,HCBOYQSYWSEVID-UHFFFAOYSA-N
HMDB33486,287.115758037,C16H17NO4,CC(=O)OC1CN(C(=O)CCC2=CC=CC=C2)C(=O)C=C1,"InChI=1S/C16H17NO4/c1-12(18)21-14-8-10-16(20)17(11-14)15(19)9-7-13-5-3-2-4-6-13/h2-6,8,10,14H,7,9,11H2,1H3",JLNNQCUATONMIT,UHFFFAOYSA,N,Pipermethystine,JLNNQCUATONMIT-UHFFFAOYSA-N
HMDB33487,197.084063979,C13H11NO,CC1=CC2=C(NC3=CC=CC=C23)C(O)=C1,"InChI=1S/C13H11NO/c1-8-6-10-9-4-2-3-5-11(9)14-13(10)12(15)7-8/h2-7,14-15H,1H3",IKITXHOOBOBUFJ,UHFFFAOYSA,N,1-Hydroxy-3-methyl-9H-carbazole,IKITXHOOBOBUFJ-UHFFFAOYSA-N
HMDB33488,556.136946988,C31H24O10,COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(O)=C1)C1=C(OC)C2=C(C=C1OC)C=C1OC(C)=CC(=O)C1=C2O,"InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3",DVSATZLPJVYIRI,UHFFFAOYSA,N,Aurasperone D,DVSATZLPJVYIRI-UHFFFAOYSA-N
HMDB33489,570.152597052,C32H26O10,COC1=CC2=C(C(O)=C1)C(OC)=C1C(=O)C=C(C)OC1=C2C1=C(OC)C=C2C=C3OC(C)=CC(=O)C3=C(OC)C2=C1O,"InChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-21(38-4)28(29(36)23(15)30(26)39-5)25-17-11-16(37-3)12-20(35)24(17)31(40-6)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3",LQQLPCZPXCJFRH,UHFFFAOYSA,N,Isoaurasperone A,LQQLPCZPXCJFRH-UHFFFAOYSA-N
HMDB33490,874.47147157,C47H70O15,CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CO)CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)O4)C1O,"InChI=1S/C47H70O15/c1-26-9-10-32-34(21-37(55-32)47(53)39(50)28(3)13-19-54-47)56-41(52)29(4)31-8-7-14-45(57-31)16-11-33(58-45)40(51)43(6)23-30(49)38(61-43)35-24-44(25-48)17-18-46(59-35,62-44)36-12-15-42(5,60-36)22-27(2)20-26/h9-10,20,27-29,31-40,48,50-51,53H,7-8,11-19,21-25H2,1-6H3/b10-9+,26-20+",KJWMGLBVDNMNQW,GVLZMTCSSA,N,Pectenotoxin 1,KJWMGLBVDNMNQW-GVLZMTCSSA-N
HMDB33491,858.476556948,C47H70O14,CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(C)CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)O4)C1O,"InChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+",PTKFEDGHUVZLPL,UGXWGHHOSA,N,Pectenotoxin 2,PTKFEDGHUVZLPL-UGXWGHHOSA-N
HMDB33492,872.455821506,C47H68O15,CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)C=O)O4)C1O,"InChI=1S/C47H68O15/c1-26-9-10-32-34(21-37(55-32)47(53)39(50)28(3)13-19-54-47)56-41(52)29(4)31-8-7-14-45(57-31)16-11-33(58-45)40(51)43(6)23-30(49)38(61-43)35-24-44(25-48)17-18-46(59-35,62-44)36-12-15-42(5,60-36)22-27(2)20-26/h9-10,20,25,27-29,31-40,50-51,53H,7-8,11-19,21-24H2,1-6H3/b10-9+,26-20+",BFHAYPLBUQVNNJ,GVLZMTCSSA,N,Pectenotoxin 3,BFHAYPLBUQVNNJ-GVLZMTCSSA-N
HMDB33493,740.434692134,C39H64O13,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C39H64O13/c1-18-7-12-39(48-16-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(46)32(44)30(42)27(51-36)17-47-35-33(45)31(43)29(41)26(15-40)50-35/h18-36,40-46H,5-17H2,1-4H3",XERVTTUAMKCJIM,UHFFFAOYSA,N,Desglucodesrhamnoparillin,XERVTTUAMKCJIM-UHFFFAOYSA-N
HMDB33494,601.374043672,C35H53O8,COC(C)C1CC(C)C(O1)C(C)\C=C/C1CCC(C)C(O1)C(\CO)=C\C1CCCC(C)C1C(C)C(\[O-])=C1/C(=O)COC1=O,"InChI=1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36,38H,8-10,12,14-15,17-18H2,1-7H3/p-1/b13-11-,26-16+,32-31-",XZJAKURZQBNKKX,VLHAQUCHSA,M,Tetronasin,XZJAKURZQBNKKX-VLHAQUCHSA-M
HMDB33495,412.370516158,C29H48O,CC(C)C(=C)CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C,"InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3",RSMKYRDCCSNYFM,UHFFFAOYSA,N,"(3beta,4beta,5alpha)-4-Methylergosta-7,24(28)-dien-3-ol",RSMKYRDCCSNYFM-UHFFFAOYSA-N
HMDB33496,570.152597052,C32H26O10,COC1=CC2=C(C(O)=C3C(=O)C=C(C)OC3=C2C2=C3OC(C)=CC(=O)C3=C(O)C3=C2C=C(OC)C=C3OC)C(OC)=C1,"InChI=1S/C32H26O10/c1-13-7-19(33)27-29(35)23-17(9-15(37-3)11-21(23)39-5)25(31(27)41-13)26-18-10-16(38-4)12-22(40-6)24(18)30(36)28-20(34)8-14(2)42-32(26)28/h7-12,35-36H,1-6H3",MBDIPBHBEVOYQB,UHFFFAOYSA,N,Nigerone,MBDIPBHBEVOYQB-UHFFFAOYSA-N
HMDB33497,556.136946988,C31H24O10,COC1=CC2=C(C(O)=C1)C(O)=C1C(=O)C=C(C)OC1=C2C1=C2OC(C)=CC(=O)C2=C(O)C2=C1C=C(OC)C=C2OC,"InChI=1S/C31H24O10/c1-12-6-18(32)26-28(35)22-16(8-14(37-3)10-20(22)34)24(30(26)40-12)25-17-9-15(38-4)11-21(39-5)23(17)29(36)27-19(33)7-13(2)41-31(25)27/h6-11,34-36H,1-5H3",YPBKRWIKGTUGIL,UHFFFAOYSA,N,6-O-Demethylnigerone,YPBKRWIKGTUGIL-UHFFFAOYSA-N
HMDB33498,570.152597052,C32H26O10,COC1=CC2=C(C(O)=C3C(=O)C=C(C)OC3=C2C2=C(O)C3=C(OC(C)=CC3=O)C3=C2C=C(OC)C=C3OC)C(OC)=C1,"InChI=1S/C32H26O10/c1-13-7-20(34)28-30(36)25(18-10-16(38-4)12-22(40-6)24(18)31(28)41-13)26-17-9-15(37-3)11-21(39-5)23(17)29(35)27-19(33)8-14(2)42-32(26)27/h7-12,35-36H,1-6H3",CQWZRVPFGYDTKI,UHFFFAOYSA,N,Isonigerone,CQWZRVPFGYDTKI-UHFFFAOYSA-N
HMDB33499,776.419436,C38H64O16,CC1OC(OC2C(CO)OC(OC(C)(CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)COC3OC(CO)C(O)C(O)C3O)C=C)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11-,21-15+,22-14+",OEOWMDSFDQHCFJ,IDGBGVIZSA,N,Lyciumoside IV,OEOWMDSFDQHCFJ-IDGBGVIZSA-N
HMDB33500,922.477344808,C44H74O20,CC1OC(OCC2OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C=C)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C44H74O20/c1-8-44(7,64-43-38(56)34(52)39(26(18-45)61-43)63-42-37(55)32(50)29(47)25(6)60-42)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-36(54)33(51)30(48)27(62-41)20-58-40-35(53)31(49)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12-,22-16+,23-15+",VWZHZYXUGKPPIX,PRMGPUFCSA,N,Lyciumoside VI,VWZHZYXUGKPPIX-PRMGPUFCSA-N
HMDB33501,938.47225943,C44H74O21,CC1OC(OCC2OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(O)C(O)C3O)C=C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C44H74O21/c1-7-44(6,65-42-38(57)34(53)30(49)26(18-46)62-42)16-10-15-22(3)12-8-11-21(2)13-9-14-23(4)19-58-43-39(64-41-37(56)33(52)29(48)25(17-45)61-41)35(54)31(50)27(63-43)20-59-40-36(55)32(51)28(47)24(5)60-40/h7,11,14-15,24-43,45-57H,1,8-10,12-13,16-20H2,2-6H3/b21-11-,22-15+,23-14+",SXABFGWDVXEPQT,WMKUFMTOSA,N,Lyciumoside VII,SXABFGWDVXEPQT-WMKUFMTOSA-N
HMDB33502,716.361921122,C35H56O15,C\C(CC\C=C(/C)COC1OC(CO)C(O)C(O)C1O)=C\CC\C(C)=C\CCC(C)(OC1OC(COC(=O)CC(O)=O)C(O)C(O)C1O)C=C,"InChI=1S/C35H56O15/c1-6-35(5,50-34-32(45)30(43)28(41)24(49-34)19-46-26(39)16-25(37)38)15-9-14-21(3)11-7-10-20(2)12-8-13-22(4)18-47-33-31(44)29(42)27(40)23(17-36)48-33/h6,10,13-14,23-24,27-34,36,40-45H,1,7-9,11-12,15-19H2,2-5H3,(H,37,38)/b20-10-,21-14+,22-13+",YBNJPPHBFMDKTB,AFAFYZGOSA,N,Lyciumoside IX,YBNJPPHBFMDKTB-AFAFYZGOSA-N
HMDB33503,325.225308485,C18H31NO4,CCCCCC\C=C\CCCC(O)CC(=O)NC1CCOC1=O,"InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,19,21)/b8-7+",GFSFGXWHLLUVRK,BQYQJAHWSA,N,Small bacteriocin,GFSFGXWHLLUVRK-BQYQJAHWSA-N
HMDB33504,324.1572885,C17H24O6,CCC(C)C(O)C(=O)OC(\C=C\C=C/C=C/C(O)=O)C1(C)CO1,"InChI=1S/C17H24O6/c1-4-12(2)15(20)16(21)23-13(17(3)11-22-17)9-7-5-6-8-10-14(18)19/h5-10,12-13,15,20H,4,11H2,1-3H3,(H,18,19)/b6-5-,9-7+,10-8+",PXZGUAVTZUPRMI,WDGPHVMXSA,N,AF Toxin II,PXZGUAVTZUPRMI-WDGPHVMXSA-N
HMDB33505,310.214409448,C18H30O4,CC\C=C/CC1OC1C(O)\C=C\CCCCCCCC(O)=O,"InChI=1S/C18H30O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h3,9-10,12,15-16,18-19H,2,4-8,11,13-14H2,1H3,(H,20,21)/b9-3-,12-10+",XHMGEKKHSKIGMI,JCMSFEFZSA,N,"(9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid",XHMGEKKHSKIGMI-JCMSFEFZSA-N
HMDB33506,411.080845867,C10H17N7O9S,NC(=O)OCC1C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O,"InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)",CETRDCWBMBILAL,UHFFFAOYSA,N,Gonyautoxin I,CETRDCWBMBILAL-UHFFFAOYSA-N
HMDB33507,395.085931245,C10H17N7O8S,NC(=O)OCC1NC(=N)N2CC(OS(O)(=O)=O)C(O)(O)C22NC(=N)NC12,"InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)",ARSXTTJGWGCRRR,UHFFFAOYSA,N,Gonyautoxin II,ARSXTTJGWGCRRR-UHFFFAOYSA-N
HMDB33508,411.080845867,C10H17N7O9S,NC(=O)OCC1C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O,"InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)",CETRDCWBMBILAL,UHFFFAOYSA,N,Gonyautoxin IV,CETRDCWBMBILAL-UHFFFAOYSA-N
HMDB33509,491.037660423,C10H17N7O12S2,ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C1=N,"InChI=1S/C10H17N7O12S2/c11-6-13-5-3(2-28-8(18)15-30(22,23)24)17(21)7(12)16-1-4(29-31(25,26)27)10(19,20)9(5,16)14-6/h3-5,12,19-21H,1-2H2,(H,15,18)(H3,11,13,14)(H,22,23,24)(H,25,26,27)",HUDHMIUZDXZZRC,UHFFFAOYSA,N,Protogonyautoxin 3,HUDHMIUZDXZZRC-UHFFFAOYSA-N
HMDB33511,475.042745801,C10H17N7O11S2,OC1(O)C(CN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC123)OS(O)(=O)=O,"InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)",OKSSKVHGKYJNLL,UHFFFAOYSA,N,Protogonyautoxin I,OKSSKVHGKYJNLL-UHFFFAOYSA-N
HMDB33512,395.085931245,C10H17N7O8S,ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CCC2(O)O)C1=N,"InChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-21H,1-3H2,(H,15,18)(H3,11,13,14)(H,22,23,24)",ALRRPAKWGUBPBK,UHFFFAOYSA,N,Gonyautoxin VI,ALRRPAKWGUBPBK-UHFFFAOYSA-N
HMDB33513,379.091016623,C10H17N7O7S,OC1(O)CCN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC123,"InChI=1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)",JKKCSFJSULZNDN,UHFFFAOYSA,N,Gonyautoxin V,JKKCSFJSULZNDN-UHFFFAOYSA-N
HMDB33514,292.142307138,C15H20N2O4,CC1(C)CC(=O)C2=C(O1)C=CC(C(=O)CC(N)CO)=C2N,"InChI=1S/C15H20N2O4/c1-15(2)6-11(20)13-12(21-15)4-3-9(14(13)17)10(19)5-8(16)7-18/h3-4,8,18H,5-7,16-17H2,1-2H3",COSICWYFCAPPJB,UHFFFAOYSA,N,Fusarochromanone,COSICWYFCAPPJB-UHFFFAOYSA-N
HMDB33515,248.104859,C14H16O4,COC1=CC(CC2=CC(=O)CC(C)O2)=CC(O)=C1,"InChI=1S/C14H16O4/c1-9-3-11(15)8-14(18-9)6-10-4-12(16)7-13(5-10)17-2/h4-5,7-9,16H,3,6H2,1-2H3",WMCPLZDBHVOXCJ,UHFFFAOYSA,N,Citreovirenone,WMCPLZDBHVOXCJ-UHFFFAOYSA-N
HMDB33516,292.02691435,C12H14Cl2O4,COC1=CC(CC(=O)CC(O)C(Cl)Cl)=CC(O)=C1,"InChI=1S/C12H14Cl2O4/c1-18-10-4-7(2-8(15)5-10)3-9(16)6-11(17)12(13)14/h2,4-5,11-12,15,17H,3,6H2,1H3",ASUNQAFARHTUFP,UHFFFAOYSA,N,Citreovirone,ASUNQAFARHTUFP-UHFFFAOYSA-N
HMDB33517,128.047344122,C6H8O3,COC1=CC(=O)OCC1,"InChI=1S/C6H8O3/c1-8-5-2-3-9-6(7)4-5/h4H,2-3H2,1H3",MEZHTUKDGVTUCD,UHFFFAOYSA,N,"5,6-Dihydro-4-methoxy-2H-pyran-2-one",MEZHTUKDGVTUCD-UHFFFAOYSA-N
HMDB33518,164.061948328,C5H12N2O2S,NCCSCC(N)C(O)=O,"InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)",GHSJKUNUIHUPDF,UHFFFAOYSA,N,S-(2-Aminoethyl)-L-cysteine,GHSJKUNUIHUPDF-UHFFFAOYSA-N
HMDB33519,239.093976737,C7H17N3O4S,NCCCC(N)C(=O)NCCS(O)(=O)=O,"InChI=1S/C7H17N3O4S/c8-3-1-2-6(9)7(11)10-4-5-15(12,13)14/h6H,1-5,8-9H2,(H,10,11)(H,12,13,14)",JALOHEZOHSEEMS,UHFFFAOYSA,N,N-Ornithyl-L-taurine,JALOHEZOHSEEMS-UHFFFAOYSA-N
HMDB33520,339.110672659,C19H17NO5,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1O)C1(C)CO1)C=C2O,"InChI=1S/C19H17NO5/c1-19(8-24-19)18-17(23)14-12(25-18)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3",JRMIBKXNMDYCPR,UHFFFAOYSA,N,1-Hydroxyrutacridone epoxide,JRMIBKXNMDYCPR-UHFFFAOYSA-N
HMDB33521,339.110672659,C19H17NO5,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C1(CO)CO1)C=C2O,"InChI=1S/C19H17NO5/c1-20-12-5-3-2-4-10(12)18(23)16-13(22)7-14-11(17(16)20)6-15(25-14)19(8-21)9-24-19/h2-5,7,15,21-22H,6,8-9H2,1H3",OJJHKXKXZMBCHJ,UHFFFAOYSA,N,20-Hydroxyrutacridone epoxide,OJJHKXKXZMBCHJ-UHFFFAOYSA-N
HMDB33522,381.121237345,C21H19NO6,COC1=C(OC)C=C2C(=C1)C(=O)C1=NC=CC3=C1C2=C(OC)C(OC)=C3OC,"InChI=1S/C21H19NO6/c1-24-13-8-11-12(9-14(13)25-2)18(23)17-15-10(6-7-22-17)19(26-3)21(28-5)20(27-4)16(11)15/h6-9H,1-5H3",AZTLZBDEFBJZQG,UHFFFAOYSA,N,Oxopurpureine,AZTLZBDEFBJZQG-UHFFFAOYSA-N
HMDB33523,384.2412929,C23H32N2O3,CCC12CCCN3CCC4(C(CC1)N(C(C)=O)C1=C4C=CC(OC)=C1OC)C23,"InChI=1S/C23H32N2O3/c1-5-22-10-6-13-24-14-12-23(21(22)24)16-7-8-17(27-3)20(28-4)19(16)25(15(2)26)18(23)9-11-22/h7-8,18,21H,5-6,9-14H2,1-4H3",BTDUGGGJFMJNOB,UHFFFAOYSA,N,(-)-Pyrifolidine,BTDUGGGJFMJNOB-UHFFFAOYSA-N
HMDB33524,337.131408101,C20H19NO4,COC1=CC=C2C=C3N(CCC4=CC5=C(OCO5)C=C34)CC2=C1OC,"InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3",FZAGOOYMTPGPGF,UHFFFAOYSA,N,Lambertine,FZAGOOYMTPGPGF-UHFFFAOYSA-N
HMDB33525,239.131014171,C16H17NO,O=C(\C=C\C=C/CCC#CC#C)N1CCCC=C1,"InChI=1S/C16H17NO/c1-2-3-4-5-6-7-8-10-13-16(18)17-14-11-9-12-15-17/h1,7-8,10-11,13-14H,5-6,9,12,15H2/b8-7-,13-10+",OGBLCPGFTJJOTG,BRSIODNASA,N,"2,4-Undecadiene-8,10-diynoic acid 2,3-dehydropiperidide",OGBLCPGFTJJOTG-BRSIODNASA-N
HMDB33526,243.162314299,C16H21NO,CCC(=O)CC\C=C\C=C/C1=NC(C)=CC=CC1,"InChI=1S/C16H21NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-11H,3,7,12-13H2,1-2H3/b5-4+,11-6-",WOIOXNFWBXFNFJ,QTJNYWJXSA,N,Chalciporone,WOIOXNFWBXFNFJ-QTJNYWJXSA-N
HMDB33527,241.146664235,C16H19NO,CCC(=O)\C=C/C=C/C=C\C1=NC(C)C=CC=C1,"InChI=1S/C16H19NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-14H,3H2,1-2H3/b5-4+,11-6-,13-7-",WJIGOTVFVWHJRY,BYWROCKKSA,N,Dehydroisochalciporone,WJIGOTVFVWHJRY-BYWROCKKSA-N
HMDB33528,205.037507717,C10H7NO4,OC(=O)C1=CC(=O)C2=CC(O)=CC=C2N1,"InChI=1S/C10H7NO4/c12-5-1-2-7-6(3-5)9(13)4-8(11-7)10(14)15/h1-4,12H,(H,11,13)(H,14,15)",CQUUHDQRJWXDPY,UHFFFAOYSA,N,"4,6-Dihydroxy-2-quinolinecarboxylic acid",CQUUHDQRJWXDPY-UHFFFAOYSA-N
HMDB33529,83.073499293,C5H9N,CC1CNC=C1,"InChI=1S/C5H9N/c1-5-2-3-6-4-5/h2-3,5-6H,4H2,1H3",VLBGIFUKQYTZCN,UHFFFAOYSA,N,"(+)-2,3-Dihydro-3-methyl-1H-pyrrole",VLBGIFUKQYTZCN-UHFFFAOYSA-N
HMDB33530,231.162314299,C15H21NO,CCC\C=C\C=C/C=C/C(=O)N1CCCC=C1,"InChI=1S/C15H21NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h4-7,9-10,12-13H,2-3,8,11,14H2,1H3/b5-4+,7-6-,12-9+",MYQLSFPPFMXWEZ,YXMVYKBFSA,N,"(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide",MYQLSFPPFMXWEZ-YXMVYKBFSA-N
HMDB33531,229.146664235,C15H19NO,C\C=C\C=C\C=C/C=C/C(=O)N1CCCC=C1,"InChI=1S/C15H19NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h2-7,9-10,12-13H,8,11,14H2,1H3/b3-2+,5-4+,7-6-,12-9+",JLBTYPJRECBOEI,XOSAMSDTSA,N,"2,4,6,8-Decatetraenoic acid dehydropiperidide",JLBTYPJRECBOEI-XOSAMSDTSA-N
HMDB33532,162.089618264,C6H18OSi2,C[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3",UQEAIHBTYFGYIE,UHFFFAOYSA,N,Dimethicone,UQEAIHBTYFGYIE-UHFFFAOYSA-N
HMDB33533,523.029009993,C19H17N5O7S3,CO\N=C(/C(=O)NC1C2SCC(CSC(=O)C3=CC=CO3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1,"InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-",ZBHXIWJRIFEVQY,KSEXSDGBSA,N,Ceftiofur,ZBHXIWJRIFEVQY-KSEXSDGBSA-N
HMDB33534,374.172938564,C21H26O6,COC1=CC(=CC=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(O)C(OC)=C1,"InChI=1S/C21H26O6/c1-11-12(2)21(14-9-17(25-4)19(23)18(10-14)26-5)27-20(11)13-6-7-15(22)16(8-13)24-3/h6-12,20-23H,1-5H3",KBIHHHDCLJQNHG,UHFFFAOYSA,N,Fragransin C1,KBIHHHDCLJQNHG-UHFFFAOYSA-N
HMDB33535,312.136159128,C19H20O4,CC(C)=CCC1=C2OC(C)(C)C=CC2=C2OC(=O)C=CC2=C1O,"InChI=1S/C19H20O4/c1-11(2)5-6-13-16(21)12-7-8-15(20)22-17(12)14-9-10-19(3,4)23-18(13)14/h5,7-10,21H,6H2,1-4H3",QMEMHCMQAQFMEL,UHFFFAOYSA,N,Honyudisin,QMEMHCMQAQFMEL-UHFFFAOYSA-N
HMDB33536,406.178023942,C25H26O5,CC(C)=CCC1=CC(=CC(CC=C(C)C)=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C25H26O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-13,26-27,29H,7-8H2,1-4H3",DOFKPAVSYGZVQD,UHFFFAOYSA,N,Honyucitrin,DOFKPAVSYGZVQD-UHFFFAOYSA-N
HMDB33537,374.172938564,C21H26O6,COC(C(C)O)C1=CC2=C(OC(C2C)C2=CC(OC)=C(O)C=C2)C(OC)=C1,"InChI=1S/C21H26O6/c1-11-15-8-14(20(26-5)12(2)22)10-18(25-4)21(15)27-19(11)13-6-7-16(23)17(9-13)24-3/h6-12,19-20,22-23H,1-5H3",DHRVKFSLKMAPEL,UHFFFAOYSA,N,Fragransol A,DHRVKFSLKMAPEL-UHFFFAOYSA-N
HMDB33538,330.146723814,C19H22O5,COC1=CC(CCO)=CC2=C1OC(C2C)C1=CC(OC)=C(O)C=C1,"InChI=1S/C19H22O5/c1-11-14-8-12(6-7-20)9-17(23-3)19(14)24-18(11)13-4-5-15(21)16(10-13)22-2/h4-5,8-11,18,20-21H,6-7H2,1-3H3",NBJKTAQUPAAPLZ,UHFFFAOYSA,N,Fragransol B,NBJKTAQUPAAPLZ-UHFFFAOYSA-N
HMDB33539,388.188588628,C22H28O6,COC1=CC(=CC=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C22H28O6/c1-12-13(2)21(15-10-18(25-4)22(27-6)19(11-15)26-5)28-20(12)14-7-8-16(23)17(9-14)24-3/h7-13,20-21,23H,1-6H3",XEDYWOVSWKYCOS,UHFFFAOYSA,N,Fragransin D1,XEDYWOVSWKYCOS-UHFFFAOYSA-N
HMDB33540,388.188588628,C22H28O6,COC1=CC(=CC(OC)=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C22H28O6/c1-12-13(2)22(15-10-18(26-5)20(23)19(11-15)27-6)28-21(12)14-7-8-16(24-3)17(9-14)25-4/h7-13,21-23H,1-6H3",AGYZMBXYRZJNNA,UHFFFAOYSA,N,Fragransin D3,AGYZMBXYRZJNNA-UHFFFAOYSA-N
HMDB33541,1062.285246522,C48H54O27,OCC(O)C(O)C(O)C(O)C(C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C1=O)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)\C=C/C2=CC=C(O)C=C2)C1=O,"InChI=1S/C48H54O27/c49-13-22(56)30(57)36(63)35(62)27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(68)47(72,43(28)70)45-39(66)37(64)31(58)23(14-50)74-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(69)48(73,44(29)71)46-40(67)38(65)32(59)24(15-51)75-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-73H,13-15H2/b11-5-,12-6+",WBKUQZJRZIYAJL,JTAXDKCCSA,N,Safflor Yellow B,WBKUQZJRZIYAJL-JTAXDKCCSA-N
HMDB33542,372.048131982,C18H12O9,OC(=O)C(=C1/OC(=O)C(=C1O)C1=CC(O)=C(O)C(O)=C1)\C1=CC=C(O)C=C1,"InChI=1S/C18H12O9/c19-9-3-1-7(2-4-9)13(17(24)25)16-15(23)12(18(26)27-16)8-5-10(20)14(22)11(21)6-8/h1-6,19-23H,(H,24,25)/b16-13-",XLCYRDAATIMMJG,SSZFMOIBSA,N,Gomphidic acid,XLCYRDAATIMMJG-SSZFMOIBSA-N
HMDB33543,382.214409448,C24H30O4,C\C(CCC1=C(C)CCC(O)C1(C)C)=C\COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,22,25H,5-6,10-11,14H2,1-4H3/b16-13-",FDKWXRYTMNZMOF,SSZFMOIBSA,N,Assafoetidin,FDKWXRYTMNZMOF-SSZFMOIBSA-N
HMDB33544,150.10446507,C10H14O,CC\C=C/C\C=C/C=C/C=O,"InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3/b4-3-,7-6-,9-8+",KEXCNWISTVJVBV,OORNVTMFSA,N,"(2E,4Z,7Z)-2,4,7-Decatrienal",KEXCNWISTVJVBV-OORNVTMFSA-N
HMDB33545,192.151415262,C13H20O,CCCCC\C=C/C\C=C\C=C\C=O,"InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-13H,2-5,8H2,1H3/b7-6-,10-9+,12-11+",BIXIZZVISIZZDM,DFHZKIAOSA,N,"(2E,4Z,7Z)-2,4,7-Tridecatrienal",BIXIZZVISIZZDM-DFHZKIAOSA-N
HMDB33546,166.135765198,C11H18O,CCCCC\C=C/C\C=C\C=O,"InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h6-7,9-11H,2-5,8H2,1H3/b7-6-,10-9+",XCXOPZBEPMNLSI,IXWMQOLASA,N,"2,5-Undecadienal",XCXOPZBEPMNLSI-IXWMQOLASA-N
HMDB33547,126.10446507,C8H14O,CCCC\C=C\C(C)=O,"InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+",ZCFOBLITZWHNNC,VOTSOKGWSA,N,3-Octen-2-one,ZCFOBLITZWHNNC-VOTSOKGWSA-N
HMDB33548,130.008850126,C5H6O2S,CC1=C(O)C(=O)CS1,"InChI=1S/C5H6O2S/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3",GIVVLEIYPVKDNV,UHFFFAOYSA,N,4-Hydroxy-5-methyl-3(2H)-thiophenone,GIVVLEIYPVKDNV-UHFFFAOYSA-N
HMDB33549,98.073164942,C6H10O,C\C=C/CCC=O,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2-",DPCMFIRORYQTCL,IHWYPQMZSA,N,(E)-4-Hexenal,DPCMFIRORYQTCL-IHWYPQMZSA-N
HMDB33550,147.053157781,C5H9NO4,OC(=O)CCNCC(O)=O,"InChI=1S/C5H9NO4/c7-4(8)1-2-6-3-5(9)10/h6H,1-3H2,(H,7,8)(H,9,10)",GAUBNQMYYJLWNF,UHFFFAOYSA,N,3-(Carboxymethylamino)propanoic acid,GAUBNQMYYJLWNF-UHFFFAOYSA-N
HMDB33551,142.062994186,C7H10O3,CCC1OC(=O)C(O)=C1C,"InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h5,8H,3H2,1-2H3",IUFQZPBIRYFPFD,UHFFFAOYSA,N,5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone,IUFQZPBIRYFPFD-UHFFFAOYSA-N
HMDB33552,122.0223917,C4H10S2,CC(S)CCS,"InChI=1S/C4H10S2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3",XMEPRJBZFCWFKN,UHFFFAOYSA,N,"(±)-1,3-Butanedithiol",XMEPRJBZFCWFKN-UHFFFAOYSA-N
HMDB33553,186.13682783,C9H18N2O2,CC(C)CCN(N=O)C(C)C(C)=O,"InChI=1S/C9H18N2O2/c1-7(2)5-6-11(10-13)8(3)9(4)12/h7-8H,5-6H2,1-4H3",SJEKZTPKCBODER,UHFFFAOYSA,N,3-[(3-Methylbutyl)nitrosoamino]-2-butanone,SJEKZTPKCBODER-UHFFFAOYSA-N
HMDB33554,140.120115134,C9H16O,CCCCC\C=C(\C)C=O,"InChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h7-8H,3-6H2,1-2H3/b9-7-",IHZRGRBFNMNNFV,CLFYSBASSA,N,2-Methyl-2-octenal,IHZRGRBFNMNNFV-CLFYSBASSA-N
HMDB33555,320.121965626,C12H20N2O8,OC(CN1CCC1C(O)=O)C(NCCC(O)C(O)=O)C(O)=O,"InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)",GJRGEVKCJPPZIT,UHFFFAOYSA,N,Isomugineic acid,GJRGEVKCJPPZIT-UHFFFAOYSA-N
HMDB33556,180.027871008,C6H12O2S2,CC1(O)CSC(C)(O)CS1,"InChI=1S/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3",NHKIYYMFGJBOTK,UHFFFAOYSA,N,"2,5-Dimethyl-1,4-dithiane-2,5-diol",NHKIYYMFGJBOTK-UHFFFAOYSA-N
HMDB33557,238.050905313,C11H11ClN2O2,NC(CC1=CNC2=C1C=CC(Cl)=C2)C(O)=O,"InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)",FICLVQOYKYBXFN,UHFFFAOYSA,N,(±)-6-Chlorotryptophan,FICLVQOYKYBXFN-UHFFFAOYSA-N
HMDB33558,356.13186161,C13H24O11,CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C13H24O11/c1-22-11-8(19)6(17)7(18)9(20)12(11)24-13-10(21)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6+,7+,8-,9+,10-,11+,12+,13-/m1/s1",RSYNCMYDVZFZBP,KEUHYNFLSA,N,4-O-Methylgalactinol,RSYNCMYDVZFZBP-KEUHYNFLSA-N
HMDB33559,322.047738052,C18H10O6,OC1=CC2=C(C=CC(=O)O2)C=C1C1=C(O)C=CC2=C1OC(=O)C=C2,"InChI=1S/C18H10O6/c19-12-4-1-9-2-5-16(22)24-18(9)17(12)11-7-10-3-6-15(21)23-14(10)8-13(11)20/h1-8,19-20H",GGNRJMYAXINNLX,UHFFFAOYSA,N,"7,7'-Dihydroxy-6,8'-bicoumarin",GGNRJMYAXINNLX-UHFFFAOYSA-N
HMDB33560,191.094628665,C11H13NO2,OCC1=CC=C(O1)\C=C1\CCCN=C1,"InChI=1S/C11H13NO2/c13-8-11-4-3-10(14-11)6-9-2-1-5-12-7-9/h3-4,6-7,13H,1-2,5,8H2/b9-6-",HKIPZBSQJPFABU,TWGQIWQCSA,N,"(E)-5-(3,4,5,6-Tetrahydro-3-pyridylidenemethyl)-2-furanmethanol",HKIPZBSQJPFABU-TWGQIWQCSA-N
HMDB33561,129.024834541,C5H7NOS,CC(=O)C1=NCCS1,"InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3",FZOZFDAMVVEZSJ,UHFFFAOYSA,N,"2-Acetyl-4,5-dihydrothiazole",FZOZFDAMVVEZSJ-UHFFFAOYSA-N
HMDB33562,162.10446507,C11H14O,CC(C)C(C=O)C1=CC=CC=C1,"InChI=1S/C11H14O/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-9,11H,1-2H3",UKEXEDXJYSMZGZ,UHFFFAOYSA,N,3-Methyl-2-phenylbutanal,UKEXEDXJYSMZGZ-UHFFFAOYSA-N
HMDB33563,336.084517488,C16H16O8,OCC1OC(OC2=CC=CC3=C2C(=O)C=CC3=O)C(O)C(O)C1O,"InChI=1S/C16H16O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-3-1-2-7-8(18)4-5-9(19)12(7)10/h1-5,11,13-17,20-22H,6H2",AAYYJBZZHJNMEO,UHFFFAOYSA,N,Juglone glucoside,AAYYJBZZHJNMEO-UHFFFAOYSA-N
HMDB33564,100.034670946,C5H8S,CC1CC=CS1,"InChI=1S/C5H8S/c1-5-3-2-4-6-5/h2,4-5H,3H2,1H3",MFAXBTKOLOJEHX,UHFFFAOYSA,N,"2,3-Dihydro-2-methylthiophene",MFAXBTKOLOJEHX-UHFFFAOYSA-N
HMDB33565,100.034670946,C5H8S,CC1=CCCS1,"InChI=1S/C5H8S/c1-5-3-2-4-6-5/h3H,2,4H2,1H3",KBUVXRDFMQNIPD,UHFFFAOYSA,N,"2,3-Dihydro-5-methylthiophene",KBUVXRDFMQNIPD-UHFFFAOYSA-N
HMDB33566,234.02067714,C9H14OS3,C=CCSS\C=C/CS(=O)CC=C,"InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-",IXELFRRANAOWSF,ALCCZGGFSA,N,Ajoene,IXELFRRANAOWSF-ALCCZGGFSA-N
HMDB33567,196.219100896,C14H28,C1CCCCCCCCCCCCC1,InChI=1S/C14H28/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H2,KATXJJSCAPBIOB,UHFFFAOYSA,N,Cyclotetradecane,KATXJJSCAPBIOB-UHFFFAOYSA-N
HMDB33568,114.068079564,C6H10O2,CC(=O)CCCC=O,"InChI=1S/C6H10O2/c1-6(8)4-2-3-5-7/h5H,2-4H2,1H3",UCAQDIQSNVAWBD,UHFFFAOYSA,N,5-Oxohexanal,UCAQDIQSNVAWBD-UHFFFAOYSA-N
HMDB33569,112.0524295,C6H8O2,CC(=O)C(\C)=C/C=O,"InChI=1S/C6H8O2/c1-5(3-4-7)6(2)8/h3-4H,1-2H3/b5-3-",PEBMIJGMJUFNQE,HYXAFXHYSA,N,Syoyualdehyde,PEBMIJGMJUFNQE-HYXAFXHYSA-N
HMDB33570,1988.924177348,C92H148O46,CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O,"InChI=1S/C92H148O46/c1-13-36(3)46(126-54(102)25-41(98)24-47(37(4)14-2)127-80-62(110)58(106)49(30-94)128-80)23-40(97)26-55(103)131-69-39(6)125-82(73(65(69)113)136-79-64(112)60(108)68(38(5)124-79)132-78-67(115)70(45(100)32-122-78)133-84-75(116)91(120,34-96)35-123-84)138-85(119)92-22-21-86(7,8)27-43(92)42-15-16-51-87(9)19-18-53(88(10,33-95)50(87)17-20-89(51,11)90(42,12)28-52(92)101)130-83-74(137-81-63(111)59(107)57(105)48(29-93)129-81)71(66(114)72(135-83)76(117)118)134-77-61(109)56(104)44(99)31-121-77/h15,33,36-41,43-53,56-75,77-84,93-94,96-101,104-116,120H,13-14,16-32,34-35H2,1-12H3,(H,117,118)",DRHZYJAUECRAJM,UHFFFAOYSA,N,QS 21,DRHZYJAUECRAJM-UHFFFAOYSA-N
HMDB33571,564.147905604,C26H28O14,OCC1OC(C(O)C(O)C1O)C1=C(O)C(C2OCC(O)C(O)C2O)=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2",MMDUKUSNQNWVET,UHFFFAOYSA,N,6-beta-D-Glucopyranosyl-8-beta-D-ribopyranosylapigenin,MMDUKUSNQNWVET-UHFFFAOYSA-N
HMDB33572,678.361527192,C36H54O12,CC(=O)OC1CC(CC2=CCC3C(CCC4(C)C(CCC34O)C(C)(O)C3CC(C)=C(C)C(=O)O3)C12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H54O12/c1-17-13-27(48-31(42)18(17)2)35(6,43)25-10-12-36(44)23-8-7-20-14-21(46-32-30(41)29(40)28(39)24(16-37)47-32)15-26(45-19(3)38)34(20,5)22(23)9-11-33(25,36)4/h7,21-30,32,37,39-41,43-44H,8-16H2,1-6H3",ACXRDVCAKSUCPM,UHFFFAOYSA,N,"1-Acetyl-3,14,20-trihydroxywitha-5,24-dienolide 3-glucoside",ACXRDVCAKSUCPM-UHFFFAOYSA-N
HMDB33573,634.335312442,C34H50O11,CC1=C(CO)C(=O)OC(C1)C(C)(O)C1CCC2C3CC=C4CC(CC(=O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C34H50O11/c1-16-11-26(45-30(41)20(16)14-35)34(4,42)24-8-7-21-19-6-5-17-12-18(43-31-29(40)28(39)27(38)23(15-36)44-31)13-25(37)33(17,3)22(19)9-10-32(21,24)2/h5,18-19,21-24,26-29,31,35-36,38-40,42H,6-15H2,1-4H3",OJRQAQMTUKIJMK,UHFFFAOYSA,N,"(3b,20R,22R)-3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide 3-glucoside",OJRQAQMTUKIJMK-UHFFFAOYSA-N
HMDB33574,188.141244506,C10H20O3,CC1CCC(CC1O)C(C)(O)CO,"InChI=1S/C10H20O3/c1-7-3-4-8(5-9(7)12)10(2,13)6-11/h7-9,11-13H,3-6H2,1-2H3",QOYJDVFOAJUXAR,UHFFFAOYSA,N,"(1R,2R,4R,8R)-p-Menthane-2,8,9-triol",QOYJDVFOAJUXAR-UHFFFAOYSA-N
HMDB33575,2150.977000778,C98H158O51,CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O,"InChI=1S/C98H158O51/c1-13-37(3)47(135-56(109)25-42(105)24-48(38(4)14-2)136-84-65(118)61(114)51(31-101)137-84)23-41(104)26-57(110)141-72-39(5)134-88(78(68(72)121)147-87-71(124)76(145-85-66(119)62(115)59(112)49(29-99)138-85)73(40(6)133-87)142-83-70(123)74(46(107)33-131-83)143-90-80(125)97(129,35-103)36-132-90)149-91(128)98-22-21-92(7,8)27-44(98)43-15-16-53-93(9)19-18-55(94(10,34-102)52(93)17-20-95(53,11)96(43,12)28-54(98)108)140-89-79(148-86-67(120)63(116)60(113)50(30-100)139-86)75(69(122)77(146-89)81(126)127)144-82-64(117)58(111)45(106)32-130-82/h15,34,37-42,44-55,58-80,82-90,99-101,103-108,111-125,129H,13-14,16-33,35-36H2,1-12H3,(H,126,127)",QSLOMCJHFMYZKQ,UHFFFAOYSA,N,QS 18,QSLOMCJHFMYZKQ-UHFFFAOYSA-N
HMDB33576,118.053098202,C7H6N2,C1=CN2C=CN=CC2=C1,InChI=1S/C7H6N2/c1-2-7-6-8-3-5-9(7)4-1/h1-6H,QSLLFYVBWXWUQT,UHFFFAOYSA,N,7-Azaindolizine,QSLLFYVBWXWUQT-UHFFFAOYSA-N
HMDB33577,168.151415262,C11H20O,CC(=O)CCCCCCCC=C,"InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h3H,1,4-10H2,2H3",FJHNSGVMPSITEQ,UHFFFAOYSA,N,10-Undecen-2-one,FJHNSGVMPSITEQ-UHFFFAOYSA-N
HMDB33578,763.268749019,C36H45NO17,CC1C(C)C(=O)OC2C(OC(C)=O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(O)C4C(OC(C)=O)C3(OC4(C)COC(=O)C3=C1N=CC=C3)C2(C)O,"InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3",NLOQRURWORDOGK,UHFFFAOYSA,N,Aquifoliunine EIII,NLOQRURWORDOGK-UHFFFAOYSA-N
HMDB33579,868.290212742,C42H48N2O18,CC1C(C)C(=O)OC2C(OC(C)=O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(OC(=O)C4=CN=CC=C4)C4C(OC(C)=O)C3(OC4(C)COC(=O)C3=C1N=CC=C3)C2(C)O,"InChI=1S/C42H48N2O18/c1-19-20(2)36(50)61-33-31(56-22(4)46)35(59-25(7)49)41(18-54-21(3)45)34(58-24(6)48)30(60-37(51)26-12-10-14-43-16-26)28-32(57-23(5)47)42(41,40(33,9)53)62-39(28,8)17-55-38(52)27-13-11-15-44-29(19)27/h10-16,19-20,28,30-35,53H,17-18H2,1-9H3",WYGMSWSZNDHDMQ,UHFFFAOYSA,N,Aquifoliunine EIV,WYGMSWSZNDHDMQ-UHFFFAOYSA-N
HMDB33580,972.492994872,C48H76O20,CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)CO)OC(C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C48H76O20/c1-20-27(52)29(54)31(56)39(63-20)65-35-33(58)36(38(60)61)66-41(34(35)59)67-37-23(51)17-44(4)25(45(37,5)19-50)10-11-47(7)26(44)9-8-21-22-16-43(2,3)12-14-48(22,15-13-46(21,47)6)42(62)68-40-32(57)30(55)28(53)24(18-49)64-40/h8,20,22-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)",HELVNAROXHFAIE,UHFFFAOYSA,N,28-Glucosylarjunolate 3-[rhamnosyl-(1->3)-glucuronide],HELVNAROXHFAIE-UHFFFAOYSA-N
HMDB33581,326.100167552,C15H18O8,OCC1OC(OC2=C(\C=C\C(O)=O)C=CC=C2)C(O)C(O)C1O,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+",GVRIYIMNJGULCZ,AATRIKPKSA,N,trans-o-Coumaric acid 2-glucoside,GVRIYIMNJGULCZ-AATRIKPKSA-N
HMDB33582,164.062600256,C13H8,C\C=C/C#CC#CC#CC#CC=C,"InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4-",KBEMPFYJJCTZIG,XQRVVYSFSA,N,"(E)-1,11-Tridecadiene-3,5,7,9-tetrayne",KBEMPFYJJCTZIG-XQRVVYSFSA-N
HMDB33583,446.303224454,C27H42O5,CC1C2C(CC3C4C(CCC23C)C2(C)CCC(O)CC2(O)C4C=O)OC11CCC(C)CO1,"InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)11-19-22-18(7-8-24(19,23)3)25(4)9-6-17(29)12-26(25,30)20(22)13-28/h13,15-23,29-30H,5-12,14H2,1-4H3",GKGKOBNJESCNOE,UHFFFAOYSA,N,Leontogenin,GKGKOBNJESCNOE-UHFFFAOYSA-N
HMDB33584,206.07903818,C8H14O6,CCOC(=O)C(O)C(O)C(=O)OCC,"InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3",YSAVZVORKRDODB,UHFFFAOYSA,N,Diethyl tartrate,YSAVZVORKRDODB-UHFFFAOYSA-N
HMDB33585,162.993928343,C4H5NO4S,CC1=CC(=O)NS(=O)(=O)O1,"InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)",YGCFIWIQZPHFLU,UHFFFAOYSA,N,Acesulfame,YGCFIWIQZPHFLU-UHFFFAOYSA-N
HMDB33586,314.115423686,C18H18O5,COC1=CC=C(\C=C\C(=O)C2=C(O)C=C(OC)C=C2OC)C=C1,"InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+",CGIBCVBDFUTMPT,RMKNXTFCSA,N,"2'-Hydroxy-4,4',6'-trimethoxychalcone",CGIBCVBDFUTMPT-RMKNXTFCSA-N
HMDB33587,430.089996796,C21H18O10,OCC1OC(OC2=CC3=C(C=C2)C2=C(C4=C(O2)C=C(O)C=C4)C(=O)O3)C(O)C(O)C1O,"InChI=1S/C21H18O10/c22-7-14-16(24)17(25)18(26)21(31-14)28-9-2-4-11-13(6-9)30-20(27)15-10-3-1-8(23)5-12(10)29-19(11)15/h1-6,14,16-18,21-26H,7H2",JSKGNHCHUPJTOQ,UHFFFAOYSA,N,Coumestrin,JSKGNHCHUPJTOQ-UHFFFAOYSA-N
HMDB33588,282.05282343,C16H10O5,COC1=CC2=C(C=C1)C1=C(O2)C2=C(OC1=O)C=C(O)C=C2,"InChI=1S/C16H10O5/c1-19-9-3-5-10-13(7-9)20-15-11-4-2-8(17)6-12(11)21-16(18)14(10)15/h2-7,17H,1H3",HHEZPZWGHDOWCQ,UHFFFAOYSA,N,9-O-Methylcoumestrol,HHEZPZWGHDOWCQ-UHFFFAOYSA-N
HMDB33589,165.078978601,C9H11NO2,CCOC(=O)C1=CC=CC=C1N,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3",TWLLPUMZVVGILS,UHFFFAOYSA,N,Ethyl 2-aminobenzoate,TWLLPUMZVVGILS-UHFFFAOYSA-N
HMDB33590,274.084123558,C15H14O5,COC1=CC(=O)OC(C1)\C=C/C1=CC2=C(OCO2)C=C1,"InChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h2-6,8,11H,7,9H2,1H3/b4-2-",GTEXBOVBADJOQH,RQOWECAXSA,N,(R)-Methysticin,GTEXBOVBADJOQH-RQOWECAXSA-N
HMDB33591,162.068079564,C10H10O2,C=CCC1=CC2=C(OCO2)C=C1,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",ZMQAAUBTXCXRIC,UHFFFAOYSA,N,Safrole,ZMQAAUBTXCXRIC-UHFFFAOYSA-N
HMDB33592,177.045963913,C6H11NO3S,NC(CS(=O)CC=C)C(O)=O,"InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)",XUHLIQGRKRUKPH,UHFFFAOYSA,N,(R)C(S)S-Alliin,XUHLIQGRKRUKPH-UHFFFAOYSA-N
HMDB33593,616.10643472,C28H24O16,OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C=C3)=C2)C1O,"InChI=1S/C28H24O16/c29-12-2-1-9(3-13(12)30)26-24(38)22(36)19-14(31)6-11(7-17(19)43-26)42-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-15(32)20(34)16(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2",USBMLXYFQKQZDJ,UHFFFAOYSA,N,6''-O-Galloylquercimeritrin,USBMLXYFQKQZDJ-UHFFFAOYSA-N
HMDB33594,206.094294314,C12H14O3,CC(=O)CCC1=CC=C(OC(C)=O)C=C1,"InChI=1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3",UMIKWXDGXDJQJK,UHFFFAOYSA,N,Cuelure,UMIKWXDGXDJQJK-UHFFFAOYSA-N
HMDB33595,426.386166222,C30H50O,CC(CCC(C)=C(C)C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C,"InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h21-26,31H,8-18H2,1-7H3",GNDKFSVEWAUCFH,UHFFFAOYSA,N,"(3beta,4alpha,5alpha,9beta)-4,14-Dimethyl-9,19-cycloergost-24-en-3-ol",GNDKFSVEWAUCFH-UHFFFAOYSA-N
HMDB33596,426.386166222,C30H50O,CC(CCC(C)=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3,"InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h21-24,27,31H,9-18H2,1-8H3",GCZFZGBLBXBCJP,UHFFFAOYSA,N,"(3xi,4alpha,5alpha,14alpha)-4,14-Dimethylergosta-8,24-dien-3-ol",GCZFZGBLBXBCJP-UHFFFAOYSA-N
HMDB33597,178.099379692,C11H14O2,COC1=CC=C(CCC(C)=O)C=C1,"InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3",PCBSXBYCASFXTM,UHFFFAOYSA,N,4-(4-Methoxyphenyl)-2-butanone,PCBSXBYCASFXTM-UHFFFAOYSA-N
HMDB33598,266.126657074,C13H18N2O4,COC1=CC=C(CNC(=O)CCC(N)C(O)=O)C=C1,"InChI=1S/C13H18N2O4/c1-19-10-4-2-9(3-5-10)8-15-12(16)7-6-11(14)13(17)18/h2-5,11H,6-8,14H2,1H3,(H,15,16)(H,17,18)",MLNAECTVQFEWFD,UHFFFAOYSA,N,N5-(4-Methoxybenzyl)glutamine,MLNAECTVQFEWFD-UHFFFAOYSA-N
HMDB33599,553.278800617,C30H39N3O7,CC(C)CC(O)C(=O)NC1C(OC2=CC=C(CC(NC(=O)C(CC3=CC=CC=C3)NC1=O)C(O)=O)C=C2)C(C)C,"InChI=1S/C30H39N3O7/c1-17(2)14-24(34)28(36)33-25-26(18(3)4)40-21-12-10-20(11-13-21)16-23(30(38)39)32-27(35)22(31-29(25)37)15-19-8-6-5-7-9-19/h5-13,17-18,22-26,34H,14-16H2,1-4H3,(H,31,37)(H,32,35)(H,33,36)(H,38,39)",OEJLUFSEWIDXDN,UHFFFAOYSA,N,Vignatic acid A,OEJLUFSEWIDXDN-UHFFFAOYSA-N
HMDB33600,720.169034976,C36H32O16,OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C1C(C(C1C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1)C(=O)OC(CC1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C36H32O16/c37-19-5-1-15(9-23(19)41)11-27(33(45)46)51-35(49)31-29(17-3-7-21(39)25(43)13-17)30(18-4-8-22(40)26(44)14-18)32(31)36(50)52-28(34(47)48)12-16-2-6-20(38)24(42)10-16/h1-10,13-14,27-32,37-44H,11-12H2,(H,45,46)(H,47,48)",SUYLTDFWHNXGDX,UHFFFAOYSA,N,Sagerinic acid,SUYLTDFWHNXGDX-UHFFFAOYSA-N
HMDB33601,212.141244506,C12H20O3,CCCCCC1C(CC(O)=O)CCC1=O,"InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)",PQEYTAGBXNEUQL,UHFFFAOYSA,N,Dihydrojasmonic acid,PQEYTAGBXNEUQL-UHFFFAOYSA-N
HMDB33602,271.041547237,C13H9N3O2S,OC(=O)C1CSC2=NC=C3C(=NC4=CC=CC=C34)N12,"InChI=1S/C13H9N3O2S/c17-12(18)10-6-19-13-14-5-8-7-3-1-2-4-9(7)15-11(8)16(10)13/h1-5,10H,6H2,(H,17,18)",CVIDYHVNYYVOGW,UHFFFAOYSA,N,Brassica oleracea Alkaloid,CVIDYHVNYYVOGW-UHFFFAOYSA-N
HMDB33603,610.44446896,C35H62O8,CCCCCCCCCCC(O)CC(O)C1CCC(O1)C(O)CCC(=O)CCCC(O)CCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-12-17-30(38)25-32(40)34-23-22-33(43-34)31(39)21-20-29(37)19-14-18-28(36)16-13-10-11-15-27-24-26(2)42-35(27)41/h24,26,28,30-34,36,38-40H,3-23,25H2,1-2H3",MLGJWMBFVBVZQY,UHFFFAOYSA,N,Annoglaxin,MLGJWMBFVBVZQY-UHFFFAOYSA-N
HMDB33604,550.4961106,C35H66O4,CCCCCCCCCCC(O)C(O)CCCCCCCCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H66O4/c1-3-4-5-6-7-19-22-25-28-33(36)34(37)29-26-23-20-17-15-13-11-9-8-10-12-14-16-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3",KKUONIIRIFHWJC,UHFFFAOYSA,N,Artemoin A,KKUONIIRIFHWJC-UHFFFAOYSA-N
HMDB33605,550.4961106,C35H66O4,CCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H66O4/c1-3-4-5-6-7-8-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-12-10-9-11-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3",NXSNZSWFXOMAOD,UHFFFAOYSA,N,Artemoin B,NXSNZSWFXOMAOD-UHFFFAOYSA-N
HMDB33606,550.4961106,C35H66O4,CCCCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H66O4/c1-3-4-5-6-7-8-9-13-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-11-10-12-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3",MBDVKGSWKNHBQZ,UHFFFAOYSA,N,Artemoin C,MBDVKGSWKNHBQZ-UHFFFAOYSA-N
HMDB33607,550.4961106,C35H66O4,CCCCCCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H66O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3",CAGLXILDKKCMCR,UHFFFAOYSA,N,Artemoin D,CAGLXILDKKCMCR-UHFFFAOYSA-N
HMDB33608,306.292265838,C21H38O,CCCCCCCCCCCCCCCCCC1=CC=CO1,"InChI=1S/C21H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h17,19-20H,2-16,18H2,1H3",ZDPKHSYNGVAHHN,UHFFFAOYSA,N,2-Heptadecylfuran,ZDPKHSYNGVAHHN-UHFFFAOYSA-N
HMDB33609,278.26096571,C19H34O,CCCCCCCCCCCCCCCC1=CC=CO1,"InChI=1S/C19H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20-19/h15,17-18H,2-14,16H2,1H3",LSVQFJUSRLOULU,UHFFFAOYSA,N,2-Pentadecylfuran,LSVQFJUSRLOULU-UHFFFAOYSA-N
HMDB33610,235.120843415,C13H17NO3,CC1=C\C(OC1=O)=C/CCCN1CCCC1=O,"InChI=1S/C13H17NO3/c1-10-9-11(17-13(10)16)5-2-3-7-14-8-4-6-12(14)15/h5,9H,2-4,6-8H2,1H3/b11-5+",AEEIFNXEUWFZED,VZUCSPMQSA,N,Pandamarilactam 3x,AEEIFNXEUWFZED-VZUCSPMQSA-N
HMDB33611,406.178023942,C25H26O5,CC(C)=CCC1=C(O)C=CC(=C1O)C1=CC2=C(OC1=O)C(CC=C(C)C)=C(O)C=C2,"InChI=1S/C25H26O5/c1-14(2)5-8-18-21(26)12-10-17(23(18)28)20-13-16-7-11-22(27)19(9-6-15(3)4)24(16)30-25(20)29/h5-7,10-13,26-28H,8-9H2,1-4H3",UAGJZOLUSRCDEP,UHFFFAOYSA,N,Licocoumarin A,UAGJZOLUSRCDEP-UHFFFAOYSA-N
HMDB33612,812.479625686,C41H64N8O9,CC(C)CC1NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)CNC(=O)C2CCCN2C(=O)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC1=O)C(C)C)C(C)C,"InChI=1S/C41H64N8O9/c1-21(2)17-28-36(53)43-25(9)35(52)45-29(18-22(3)4)37(54)48-34(24(7)8)41(58)49-16-10-11-31(49)39(56)42-20-32(51)44-30(19-26-12-14-27(50)15-13-26)38(55)47-33(23(5)6)40(57)46-28/h12-15,21-25,28-31,33-34,50H,10-11,16-20H2,1-9H3,(H,42,56)(H,43,53)(H,44,51)(H,45,52)(H,46,57)(H,47,55)(H,48,54)",DDWIRDHTZAQZIO,UHFFFAOYSA,N,Glabrin C,DDWIRDHTZAQZIO-UHFFFAOYSA-N
HMDB33613,739.354090823,C36H49N7O10,CC(C)C1NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CCC(O)=O)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC2=CC=C(O)C=C2)NC1=O,"InChI=1S/C36H49N7O10/c1-20(2)30-34(51)39-24(18-21-9-11-22(44)12-10-21)31(48)37-19-28(45)41-15-3-6-25(41)32(49)38-23(13-14-29(46)47)35(52)43-17-5-8-27(43)36(53)42-16-4-7-26(42)33(50)40-30/h9-12,20,23-27,30,44H,3-8,13-19H2,1-2H3,(H,37,48)(H,38,49)(H,39,51)(H,40,50)(H,46,47)",HUBKEBDFQLHLMX,UHFFFAOYSA,N,Glabrin D,HUBKEBDFQLHLMX-UHFFFAOYSA-N
HMDB33614,742.277797564,C45H42O10,CC(C)=CCC1=CC2=C(OC(C(=O)C3=CC(CC=C(C)C)=C(O)C=C3)(C2=O)C2=C(\C=C3/OC4=C(C=CC(O)=C4CC=C(C)C)C3=O)C=C(O)C(O)=C2)C=C1O,"InChI=1S/C45H42O10/c1-23(2)7-10-26-17-28(12-15-34(26)46)43(52)45(44(53)32-18-27(11-8-24(3)4)36(48)22-39(32)55-45)33-21-38(50)37(49)19-29(33)20-40-41(51)31-14-16-35(47)30(42(31)54-40)13-9-25(5)6/h7-9,12,14-22,46-50H,10-11,13H2,1-6H3/b40-20-",MEJLVLSNRYLDSG,MDCVPAOJSA,N,Licoagrone,MEJLVLSNRYLDSG-MDCVPAOJSA-N
HMDB33615,322.214409448,C19H30O4,CCCCCCCC(O)CC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3",BCIWKKMTBRYQJU,UHFFFAOYSA,N,(S)-[8]-Gingerol,BCIWKKMTBRYQJU-UHFFFAOYSA-N
HMDB33616,350.245709576,C21H34O4,CCCCCCCCCC(O)CC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3",AIULWNKTYPZYAN,UHFFFAOYSA,N,(S)-[10]-Gingerol,AIULWNKTYPZYAN-UHFFFAOYSA-N
HMDB33617,519.294450681,C27H41N3O7,CC(C)CC(O)C(=O)NC1C(OC2=CC=C(CC(NC(=O)C(CC(C)C)NC1=O)C(O)=O)C=C2)C(C)C,"InChI=1S/C27H41N3O7/c1-14(2)11-19-24(32)29-20(27(35)36)13-17-7-9-18(10-8-17)37-23(16(5)6)22(26(34)28-19)30-25(33)21(31)12-15(3)4/h7-10,14-16,19-23,31H,11-13H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)",OPWAZQSWJQLOAK,UHFFFAOYSA,N,Vignatic acid B,OPWAZQSWJQLOAK-UHFFFAOYSA-N
HMDB33618,186.161979948,C11H22O2,CCCCCC(=O)OCCC(C)C,"InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3",XVSZRAWFCDHCBP,UHFFFAOYSA,N,3-Methylbutyl hexanoate,XVSZRAWFCDHCBP-UHFFFAOYSA-N
HMDB33619,200.177630012,C12H24O2,CCCCCCOC(=O)CCCCC,"InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3",NCDCLPBOMHPFCV,UHFFFAOYSA,N,Hexyl hexanoate,NCDCLPBOMHPFCV-UHFFFAOYSA-N
HMDB33620,172.146329884,C10H20O2,CCCCCCOC(=O)CCC,"InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3",XAPCMTMQBXLDBB,UHFFFAOYSA,N,Hexyl butyrate,XAPCMTMQBXLDBB-UHFFFAOYSA-N
HMDB33621,731.554747689,C40H77NO10,CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCC\C=C\CCCCCCCCC,"InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19+",AYBHLNMQTQBJBX,XUTLUUPISA,N,Araliacerebroside,AYBHLNMQTQBJBX-XUTLUUPISA-N
HMDB33622,328.06301096,C15H12N4O3S,OC(=O)CNC(=O)C1CSC2=NC=C3C(=NC4=CC=CC=C34)N12,"InChI=1S/C15H12N4O3S/c20-12(21)6-16-14(22)11-7-23-15-17-5-9-8-3-1-2-4-10(8)18-13(9)19(11)15/h1-5,11H,6-7H2,(H,16,22)(H,20,21)",ZPXJZOIRMZYIAP,UHFFFAOYSA,N,Cabbage identification factor 2,ZPXJZOIRMZYIAP-UHFFFAOYSA-N
HMDB33623,398.10353837,C18H22O8S,CC1CCCC(=O)CCC\C=C\C2=CC(OS(O)(=O)=O)=CC(O)=C2C(=O)O1,"InChI=1S/C18H22O8S/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(26-27(22,23)24)11-16(20)17(13)18(21)25-12/h3,7,10-12,20H,2,4-6,8-9H2,1H3,(H,22,23,24)/b7-3+",GQAJNGUAQKYPCH,XVNBXDOJSA,N,Zearalenone 4-sulfate,GQAJNGUAQKYPCH-XVNBXDOJSA-N
HMDB33624,182.057908808,C9H10O4,OC(CC1=C(O)C=CC=C1)C(O)=O,"InChI=1S/C9H10O4/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)",HXQBZGMVGIDZAJ,UHFFFAOYSA,N,(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid,HXQBZGMVGIDZAJ-UHFFFAOYSA-N
HMDB33625,162.125594442,C8H18O3,CC(O)CCCC(O)CCO,"InChI=1S/C8H18O3/c1-7(10)3-2-4-8(11)5-6-9/h7-11H,2-6H2,1H3",NGACGNKKNNNNHK,UHFFFAOYSA,N,"(3R,7R)-1,3,7-Octanetriol",NGACGNKKNNNNHK-UHFFFAOYSA-N
HMDB33626,278.063782046,C10H14O9,OC1COC(OCC2OC(=O)C(O)=C2O)C(O)C1O,"InChI=1S/C10H14O9/c11-3-1-17-10(8(15)5(3)12)18-2-4-6(13)7(14)9(16)19-4/h3-5,8,10-15H,1-2H2",CMPVKMSVRPPYHP,UHFFFAOYSA,N,D-Erythroascorbic acid 1'-a-D-xylopyranoside,CMPVKMSVRPPYHP-UHFFFAOYSA-N
HMDB33627,308.074346732,C11H16O10,OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O)C1O,"InChI=1S/C11H16O10/c12-1-3-5(13)7(15)9(17)11(21-3)19-2-4-6(14)8(16)10(18)20-4/h3-5,7,9,11-17H,1-2H2",VMBZDIQDNQIPAL,UHFFFAOYSA,N,D-Erythroascorbic acid 1'-a-D-glucoside,VMBZDIQDNQIPAL-UHFFFAOYSA-N
HMDB33628,596.465204402,C35H64O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3",XNODZYPOIPVPRF,UHFFFAOYSA,N,Asitrilobin B,XNODZYPOIPVPRF-UHFFFAOYSA-N
HMDB33629,126.068079564,C7H10O2,CC1(O)CCC(=O)C=C1,"InChI=1S/C7H10O2/c1-7(9)4-2-6(8)3-5-7/h2,4,9H,3,5H2,1H3",YYSUJSRMFRKVGC,UHFFFAOYSA,N,xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one,YYSUJSRMFRKVGC-UHFFFAOYSA-N
HMDB33630,282.18310932,C16H26O4,COC1OCC2(O)C(O)C3CC(C)(C)CC3C3(C)CC123,"InChI=1S/C16H26O4/c1-13(2)5-9-10(6-13)14(3)7-15(14)12(19-4)20-8-16(15,18)11(9)17/h9-12,17-18H,5-8H2,1-4H3",DEBINYRQIQKNDF,UHFFFAOYSA,N,Lactapiperanol C,DEBINYRQIQKNDF-UHFFFAOYSA-N
HMDB33631,324.193674006,C18H28O5,COC1OCC2(O)C(OC(C)=O)C3CC(C)(C)CC3C3(C)CC123,"InChI=1S/C18H28O5/c1-10(19)23-13-11-6-15(2,3)7-12(11)16(4)8-17(16)14(21-5)22-9-18(13,17)20/h11-14,20H,6-9H2,1-5H3",VFJHHENNFQFTOV,UHFFFAOYSA,N,Lactapiperanol D,VFJHHENNFQFTOV-UHFFFAOYSA-N
HMDB33632,552.381474774,C35H52O5,CC(C)C(=O)C12C(=O)C(CC=C(C)C)=C3OC(CC3(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O)C(C)(C)O,"InChI=1S/C35H52O5/c1-21(2)13-12-18-33(11)25(16-14-22(3)4)19-34-20-27(32(9,10)39)40-30(34)26(17-15-23(5)6)29(37)35(33,31(34)38)28(36)24(7)8/h13-15,24-25,27,39H,12,16-20H2,1-11H3",SUOQGZCCNGMYHT,UHFFFAOYSA,N,Furohyperforin,SUOQGZCCNGMYHT-UHFFFAOYSA-N
HMDB33633,444.360345402,C29H48O3,CC(C)C(C)C(\C)=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3CCC12C,"InChI=1S/C29H48O3/c1-17(2)20(5)18(3)14-19(4)23-8-9-24-22-15-26(31)29(32)16-21(30)10-13-28(29,7)25(22)11-12-27(23,24)6/h14-15,17,19-21,23-26,30-32H,8-13,16H2,1-7H3/b18-14+",CZRJCGNHTAJYEV,NBVRZTHBSA,N,"(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol",CZRJCGNHTAJYEV-NBVRZTHBSA-N
HMDB33634,460.355260024,C29H48O4,CC(C)C(C)C(\C)=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3(O)CCC12C,"InChI=1S/C29H48O4/c1-17(2)20(5)18(3)14-19(4)22-8-9-23-24-15-25(31)29(33)16-21(30)10-11-27(29,7)28(24,32)13-12-26(22,23)6/h14-15,17,19-23,25,30-33H,8-13,16H2,1-7H3/b18-14+",OVIAMXWKHLHCOK,NBVRZTHBSA,N,"(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol",OVIAMXWKHLHCOK-NBVRZTHBSA-N
HMDB33635,536.371304018,C31H52O7,CC(C)C(O)(CO)CCC(C)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O,"InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)",CPHVNLRAJPTYSD,UHFFFAOYSA,N,Cyclotricuspidogenin C,CPHVNLRAJPTYSD-UHFFFAOYSA-N
HMDB33636,860.476950878,C43H72O17,CC(C)C(O)(CCC(C)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C43H72O17/c1-19(2)42(56,18-57-35-33(53)31(51)29(49)22(15-44)58-35)10-9-20(3)28-21(46)14-39(5)24-7-8-25-40(6,37(55)60-36-34(54)32(52)30(50)23(16-45)59-36)26(47)13-27(48)43(25)17-41(24,43)12-11-38(28,39)4/h19-36,44-54,56H,7-18H2,1-6H3",JRBZRACFBGYSHE,UHFFFAOYSA,N,Cyclotricuspidoside C,JRBZRACFBGYSHE-UHFFFAOYSA-N
HMDB33637,385.334465003,C26H43NO,CCCCCCCCCCCCCCCCCCC1=C(O)C2=CC=CC=C2N1,"InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3",AYPYUZXAFNVUEC,UHFFFAOYSA,N,Fistulosin,AYPYUZXAFNVUEC-UHFFFAOYSA-N
HMDB33638,1084.124054434,C46H36O31,OC1COC2(OC3(O)CC45C2OC2(O)C4C4=C(OC32O)C(O)=C(O)C=C4C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC3COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)OC2C3OC5=O)C1O,"InChI=1S/C46H36O31/c47-13-1-9(2-14(48)23(13)53)35(60)74-39-32-31-29(19(70-39)7-68-36(61)10-3-15(49)24(54)27(57)20(10)21-11(37(62)71-31)4-16(50)25(55)28(21)58)73-41(64)42-8-43(65)46(67)45(66,76-40(42)44(77-43)34(59)18(52)6-69-44)33(42)22-12(38(63)72-32)5-17(51)26(56)30(22)75-46/h1-5,18-19,29,31-34,39-40,47-59,65-67H,6-8H2",KCGMOSICDALEEK,UHFFFAOYSA,N,Putranjivain A,KCGMOSICDALEEK-UHFFFAOYSA-N
HMDB33639,312.099773622,C18H16O5,COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=CC=CC=C2O1,"InChI=1S/C18H16O5/c1-20-16-8-11(9-17(21-2)18(16)22-3)15-10-13(19)12-6-4-5-7-14(12)23-15/h4-10H,1-3H3",QCXAJQVDUHKDEL,UHFFFAOYSA,N,"3',4',5'-Trimethoxyflavone",QCXAJQVDUHKDEL-UHFFFAOYSA-N
HMDB33640,188.141244506,C10H20O3,CC(C)(O)C(O)CCC(=C)CCO,"InChI=1S/C10H20O3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h9,11-13H,1,4-7H2,2-3H3",FYRNCGDEPAEUMD,UHFFFAOYSA,N,"7-Methyl-3-methylene-1,6,7-octanetriol",FYRNCGDEPAEUMD-UHFFFAOYSA-N
HMDB33641,854.502771698,C45H74O15,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(COC2OCC(O)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)CC1O,"InChI=1S/C45H74O15/c1-40(2)16-23-22-8-9-28-42(5)12-11-29(49)41(3,4)27(42)10-13-44(28,7)43(22,6)14-15-45(23,17-30(40)50)21-58-37-33(53)35(25(47)19-55-37)60-39-34(54)36(26(48)20-57-39)59-38-32(52)31(51)24(46)18-56-38/h8,23-39,46-54H,9-21H2,1-7H3",PUHAZANIUBMAAJ,UHFFFAOYSA,N,"(3b,21b)-12-Oleanene-3,21,28-triol 28-[arabinosyl-(1->3)-arabinosyl-(1->3)-arabinoside]",PUHAZANIUBMAAJ-UHFFFAOYSA-N
HMDB33642,204.136159128,C10H20O4,C\C(CO)=C/CCC(C)(O)C(O)CO,"InChI=1S/C10H20O4/c1-8(6-11)4-3-5-10(2,14)9(13)7-12/h4,9,11-14H,3,5-7H2,1-2H3/b8-4+",WLZNCAXWAFHRLP,XBXARRHUSA,N,"(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol",WLZNCAXWAFHRLP-XBXARRHUSA-N
HMDB33643,316.152203122,C15H24O7,CC1C2CCC(COC3OC(CO)C(O)C(O)C3O)(C2)C1=O,"InChI=1S/C15H24O7/c1-7-8-2-3-15(4-8,13(7)20)6-21-14-12(19)11(18)10(17)9(5-16)22-14/h7-12,14,16-19H,2-6H2,1H3",PDFITCQLYDDVKZ,UHFFFAOYSA,N,10-Hydroxy-8-nor-2-fenchanone glucoside,PDFITCQLYDDVKZ-UHFFFAOYSA-N
HMDB33644,332.18350325,C16H28O7,CC(C)C12CC1C(C)(CC2O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O7/c1-7(2)16-4-9(16)15(3,5-10(16)18)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3",HVTLBEUPVKSBIB,UHFFFAOYSA,N,"(1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-Glucopyranoside",HVTLBEUPVKSBIB-UHFFFAOYSA-N
HMDB33645,348.178417872,C16H28O8,CC(C)(O)C12CC1C(C)(CC2O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O8/c1-14(2,22)16-4-8(16)15(3,5-9(16)18)24-13-12(21)11(20)10(19)7(6-17)23-13/h7-13,17-22H,4-6H2,1-3H3",XCEFCWBOZHJCAP,UHFFFAOYSA,N,"(1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside",XCEFCWBOZHJCAP-UHFFFAOYSA-N
HMDB33646,452.125988372,C28H20O6,OC1=CC=C(\C=C/C2=CC(O)=CC3=C2C(=C(O3)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1,"InChI=1S/C28H20O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,29-33H/b4-1-",MTRJOEZPTJRJOB,RJRFIUFISA,N,Viniferifuran,MTRJOEZPTJRJOB-RJRFIUFISA-N
HMDB33647,444.323959896,C28H44O4,CC(C)C(C)\C=C\C(C)C1CCC2C34OC3(CCC12C)C1(C)CCC(O)CC11OC1C4O,"InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-24(20,5)13-14-27-25(6)12-11-19(29)15-26(25)23(31-26)22(30)28(21,27)32-27/h7-8,16-23,29-30H,9-15H2,1-6H3/b8-7+",KAQBBVJKPGNKRN,BQYQJAHWSA,N,"5,6:8,9-Diepoxyergost-22-ene-3,7beta-diol",KAQBBVJKPGNKRN-BQYQJAHWSA-N
HMDB33648,332.05321736,C16H12O8,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(O)=C(O)C(O)=C2O1,"InChI=1S/C16H12O8/c1-23-10-4-6(2-3-7(10)17)9-5-8(18)11-12(19)13(20)14(21)15(22)16(11)24-9/h2-5,17,19-22H,1H3",AHVKPVAYXFJAFV,UHFFFAOYSA,N,"4',5,6,7,8-Pentahydroxy-3'-methoxyflavone",AHVKPVAYXFJAFV-UHFFFAOYSA-N
HMDB33649,276.063388116,C14H12O6,CC1(O)CC(=O)C2=C(O)C3=C(O)C=C(O)C=C3C=C2O1,"InChI=1S/C14H12O6/c1-14(19)5-9(17)12-10(20-14)3-6-2-7(15)4-8(16)11(6)13(12)18/h2-4,15-16,18-19H,5H2,1H3",RTYDQIKVNMHQMZ,UHFFFAOYSA,N,O-Demethylfonsecin,RTYDQIKVNMHQMZ-UHFFFAOYSA-N
HMDB33650,478.111126168,C22H22O12,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(O)=C(O)C(OC3OC(C)C(O)C(O)C3O)=C2O1,"InChI=1S/C22H22O12/c1-7-14(25)16(27)19(30)22(32-7)34-21-18(29)17(28)15(26)13-10(24)6-11(33-20(13)21)8-3-4-9(23)12(5-8)31-2/h3-7,14,16,19,22-23,25-30H,1-2H3",HOQOGRHHARLRBG,UHFFFAOYSA,N,Estragonoside,HOQOGRHHARLRBG-UHFFFAOYSA-N
HMDB33651,416.110732238,C21H20O9,CC1OC(OC2=CC=C(C=C2)C2=COC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O,"InChI=1S/C21H20O9/c1-9-17(24)19(26)20(27)21(29-9)30-12-4-2-10(3-5-12)13-8-28-15-7-11(22)6-14(23)16(15)18(13)25/h2-9,17,19-24,26-27H,1H3",ALDGJOZWDGSBIY,UHFFFAOYSA,N,Genistein 4'-rhamnoside,ALDGJOZWDGSBIY-UHFFFAOYSA-N
HMDB33652,738.143214156,C35H30O18,OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC1OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=C(O)C=C1,"InChI=1S/C35H30O18/c36-16-3-1-13(2-4-16)24-11-19(38)27-18(37)9-17(10-25(27)51-24)50-35-31(46)30(45)32(53-34(48)15-7-22(41)29(44)23(42)8-15)26(52-35)12-49-33(47)14-5-20(39)28(43)21(40)6-14/h1-10,24,26,30-32,35-37,39-46H,11-12H2",ZSOGABTVFMGBCT,UHFFFAOYSA,N,"Prunin 4'',6''-di-O-gallate",ZSOGABTVFMGBCT-UHFFFAOYSA-N
HMDB33653,480.199547244,C24H32O10,CC(C)CC(=O)OC1C=C2C(C(OC(=O)C(OC(C)=O)C(C)C)OC=C2COC(C)=O)C11CO1,"InChI=1S/C24H32O10/c1-12(2)7-19(27)33-18-8-17-16(9-29-14(5)25)10-30-23(20(17)24(18)11-31-24)34-22(28)21(13(3)4)32-15(6)26/h8,10,12-13,18,20-21,23H,7,9,11H2,1-6H3",VSUJAXGURPSNJL,UHFFFAOYSA,N,1-alpha-Acevaltrate,VSUJAXGURPSNJL-UHFFFAOYSA-N
HMDB33654,480.23593275,C25H36O9,CC(C)CC(=O)OC1C=C2C(C(OC(=O)CC(C)C)OC=C2COC(=O)CC(C)(C)O)C11CO1,"InChI=1S/C25H36O9/c1-14(2)7-19(26)33-18-9-17-16(11-30-21(28)10-24(5,6)29)12-31-23(22(17)25(18)13-32-25)34-20(27)8-15(3)4/h9,12,14-15,18,22-23,29H,7-8,10-11,13H2,1-6H3",QHYRSOLVOPZTHU,UHFFFAOYSA,N,11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate),QHYRSOLVOPZTHU-UHFFFAOYSA-N
HMDB33655,494.251582814,C26H38O9,CCC(C)CC(=O)OC1C=C2C(C(OC(=O)CC(C)C)OC=C2COC(=O)CC(C)(C)O)C11CO1,"InChI=1S/C26H38O9/c1-7-16(4)9-21(28)34-19-10-18-17(12-31-22(29)11-25(5,6)30)13-32-24(23(18)26(19)14-33-26)35-20(27)8-15(2)3/h10,13,15-16,19,23-24,30H,7-9,11-12,14H2,1-6H3",OOOMMEPVIHNIQK,UHFFFAOYSA,N,"7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate)",OOOMMEPVIHNIQK-UHFFFAOYSA-N
HMDB33656,392.198759384,C25H28O4,COC1=CC(O)=CC(C2=CC3=C(O2)C=C(O)C=C3)=C1C\C=C(/C)CCC=C(C)C,"InChI=1S/C25H28O4/c1-16(2)6-5-7-17(3)8-11-21-22(13-20(27)15-24(21)28-4)25-12-18-9-10-19(26)14-23(18)29-25/h6,8-10,12-15,26-27H,5,7,11H2,1-4H3/b17-8+",MQYYTNPXQXSQGM,CAOOACKPSA,N,Mulberrofuran A,MQYYTNPXQXSQGM-CAOOACKPSA-N
HMDB33657,310.047738052,C17H10O6,OC1=CC2=C(C3C=COC3O2)C2=C1C(=O)C1=C(O)C=CC=C1O2,"InChI=1S/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H",RQQOEIJLJPCYJR,UHFFFAOYSA,N,De-O-methylsterigmatocystin,RQQOEIJLJPCYJR-UHFFFAOYSA-N
HMDB33658,312.063388116,C17H12O6,OC1=CC2=C(C3CCOC3O2)C2=C1C(=O)C1=C(O)C=CC=C1O2,"InChI=1S/C17H12O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-3,6-7,17-19H,4-5H2",WUSMTEDKVPWFDN,UHFFFAOYSA,N,De-O-methyldihydrosterigmatocystin,WUSMTEDKVPWFDN-UHFFFAOYSA-N
HMDB33659,356.089602866,C19H16O7,COC1=CC2=C(C3CC(O)OC3O2)C2=C1C(=O)C1=C(OC)C=CC=C1O2,"InChI=1S/C19H16O7/c1-22-9-4-3-5-10-15(9)17(21)16-11(23-2)7-12-14(18(16)24-10)8-6-13(20)26-19(8)25-12/h3-5,7-8,13,19-20H,6H2,1-2H3",ATDWDHGTLHHXNU,UHFFFAOYSA,N,Dihydrohydroxy-O-methylsterigmatocystin,ATDWDHGTLHHXNU-UHFFFAOYSA-N
HMDB33660,266.151809192,C15H22O4,CC(C)CC(=O)CC(C)(O)CCC(=O)C1=COC=C1,"InChI=1S/C15H22O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7,10-11,18H,4,6,8-9H2,1-3H3",SUMMQMXACBFGLA,UHFFFAOYSA,N,(R)-Athanagrandione,SUMMQMXACBFGLA-UHFFFAOYSA-N
HMDB33661,264.136159128,C15H20O4,CC(C)=CC(=O)CC(C)(O)CCC(=O)C1=COC=C1,"InChI=1S/C15H20O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7-8,10,18H,4,6,9H2,1-3H3",GENURIBYATWERM,UHFFFAOYSA,N,4-Hydroxydehydromyoporone,GENURIBYATWERM-UHFFFAOYSA-N
HMDB33662,313.084474683,C11H15N5O4S,CS(=O)CC1OC(C(O)C1O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C11H15N5O4S/c1-21(19)2-5-7(17)8(18)11(20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)",WXOJULRVRHWMGT,UHFFFAOYSA,N,(S)-5'-Deoxy-5'-(methylsulfinyl)adenosine,WXOJULRVRHWMGT-UHFFFAOYSA-N
HMDB33663,272.12330303,C9H16N6O4,OCC1C2NC(=N)NC22N(CCC2(O)O)C(=N)N1O,"InChI=1S/C9H16N6O4/c10-6-12-5-4(3-16)15(19)7(11)14-2-1-8(17,18)9(5,14)13-6/h4-5,11,16-19H,1-3H2,(H3,10,12,13)",KUMXVBFFVVLQFX,UHFFFAOYSA,N,Decarbamoylneosaxitoxin,KUMXVBFFVVLQFX-UHFFFAOYSA-N
HMDB33664,315.129116689,C10H17N7O5,ONC(=O)OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12,"InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(18)16-21)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-21H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)",AGUPJSLCNZPQMF,UHFFFAOYSA,N,N'-Hydroxysaxitoxin,AGUPJSLCNZPQMF-UHFFFAOYSA-N
HMDB33665,331.124031311,C10H17N7O6,ONC(=O)OCC1C2NC(=N)NC22N(CCC2(O)O)C(=N)N1O,"InChI=1S/C10H17N7O6/c11-6-13-5-4(3-23-8(18)15-21)17(22)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-22H,1-3H2,(H,15,18)(H3,11,13,14)",YBDAUZJLBCGWOB,UHFFFAOYSA,N,N'-Hydroxyneosaxitoxin,YBDAUZJLBCGWOB-UHFFFAOYSA-N
HMDB33666,454.162767808,C25H26O8,CC(C)(O)CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=CC(O)=C(O)C=C1O,"InChI=1S/C25H26O8/c1-24(2,31)7-5-13-21(30)20-18(29)11-19-12(6-8-25(3,4)33-19)23(20)32-22(13)14-9-16(27)17(28)10-15(14)26/h6,8-11,26-29,31H,5,7H2,1-4H3",HENAAGIOPZLIKO,UHFFFAOYSA,N,KB 2,HENAAGIOPZLIKO-UHFFFAOYSA-N
HMDB33667,112.088815006,C7H12O,CC1CCCC(=O)C1,"InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3",UJBOOUHRTQVGRU,UHFFFAOYSA,N,(R)-3-Methylcyclohexanone,UJBOOUHRTQVGRU-UHFFFAOYSA-N
HMDB33668,478.074740662,C21H18O13,O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1",OUQZCILJSVDJFB,JENRNSKYSA,N,Quercetin 4'-glucuronide,OUQZCILJSVDJFB-JENRNSKYSA-N
HMDB33669,324.136159128,C20H20O4,CC(C)=CCC1=C(O)C=CC2=C1OC1C2COC2=C1C=CC(O)=C2,"InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3",OFWYIUYVHYPQNX,UHFFFAOYSA,N,Phaseollidin,OFWYIUYVHYPQNX-UHFFFAOYSA-N
HMDB33670,151.99657088,C4H8O2S2,OC1CSC(O)CS1,"InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2",YUIOPHXTILULQC,UHFFFAOYSA,N,"1,4-Dithiane-2,5-diol",YUIOPHXTILULQC-UHFFFAOYSA-N
HMDB33671,338.151809192,C21H22O4,COC1=C(C=CC(O)=C1)C1COC2=C(C1)C=CC1=C2C=CC(C)(C)O1,"InChI=1S/C21H22O4/c1-21(2)9-8-17-18(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(22)11-19(16)23-3/h4-9,11,14,22H,10,12H2,1-3H3",IIZFTELYWMLCKS,UHFFFAOYSA,N,2'-O-Methylglabridin,IIZFTELYWMLCKS-UHFFFAOYSA-N
HMDB33672,338.151809192,C21H22O4,COC1=CC(O)=C(C=C1)C1COC2=C(C1)C=CC1=C2C=CC(C)(C)O1,"InChI=1S/C21H22O4/c1-21(2)9-8-17-19(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(23-3)11-18(16)22/h4-9,11,14,22H,10,12H2,1-3H3",ZZAIPFIGEGQNHP,UHFFFAOYSA,N,4'-O-Methylglabridin,ZZAIPFIGEGQNHP-UHFFFAOYSA-N
HMDB33673,504.169034976,C18H32O16,OCC1OC(CO)(OCC2OC(CO)(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(5-22)15(29)11(25)8(33-18)3-30-17(4-21)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2",ODEHMIGXGLNAKK,UHFFFAOYSA,N,6-Kestose,ODEHMIGXGLNAKK-UHFFFAOYSA-N
HMDB33674,1062.561074436,C52H86O22,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O,"InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3",HSSJYSJXBOCKQM,UHFFFAOYSA,N,Yamogenintetroside B,HSSJYSJXBOCKQM-UHFFFAOYSA-N
HMDB33675,218.126657074,C9H18N2O4,CC(NC(CCCCN)C(O)=O)C(O)=O,"InChI=1S/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)",ZZYYVZYAZCMNPG,UHFFFAOYSA,N,L-Lysopine,ZZYYVZYAZCMNPG-UHFFFAOYSA-N
HMDB33676,102.10446507,C6H14O,CCC(C)CCO,"InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3",IWTBVKIGCDZRPL,UHFFFAOYSA,N,(±)-3-Methyl-1-pentanol,IWTBVKIGCDZRPL-UHFFFAOYSA-N
HMDB33677,362.245709576,C22H34O4,CC1(O)C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC1=O,"InChI=1S/C22H34O4/c1-20-8-6-13(23)10-12(20)4-5-14-15(20)7-9-21(2)16(14)11-17-18(21)22(3,25)19(24)26-17/h12-18,23,25H,4-11H2,1-3H3",OCPGSVYCKLXPSO,UHFFFAOYSA,N,Lycopersiconolide,OCPGSVYCKLXPSO-UHFFFAOYSA-N
HMDB33678,559.387288433,C33H53NO6,CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3",IDGKMGZVTKHZDA,UHFFFAOYSA,N,gamma-Chaconine,IDGKMGZVTKHZDA-UHFFFAOYSA-N
HMDB33679,593.187030764,C28H33O14,C[C@H]1[C@H](O[C@H]2[C@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC=C(O)C=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C28H32O14/c1-11-21(34)22(35)19(9-29)40-27(11)42-26-24(37)23(36)20(10-30)41-28(26)39-18-8-15-16(33)6-14(32)7-17(15)38-25(18)12-2-4-13(31)5-3-12/h2-8,11,19-24,26-30,34-37H,9-10H2,1H3,(H2-,31,32,33)/p+1/t11-,19-,20-,21-,22-,23-,24+,26-,27+,28-/m1/s1",MJCMQFQZXCYZOU,ZKUUPHCGSA,O,Pelargonidin 3-sophoroside,MJCMQFQZXCYZOU-ZKUUPHCGSA-O
HMDB33680,256.146329884,C17H20O2,CCCCCCC\C=C\C(=O)C#CC#CC(=O)C=C,"InChI=1S/C17H20O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14H,2-3,5-9H2,1H3/b14-10+",WFXDNWZWONCJFS,GXDHUFHOSA,N,Falcarindione,WFXDNWZWONCJFS-GXDHUFHOSA-N
HMDB33681,595.166295322,C27H31O15,OCC1OC(OC2=CC(O)=CC3=C2C=C(OC2OC(CO)C(O)C(O)C2O)C(=[O+]3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1",SLCKJKWFULXZBD,UHFFFAOYSA,O,Pelargonin,SLCKJKWFULXZBD-UHFFFAOYSA-O
HMDB33682,433.113471892,C21H21O10,OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1",ABVCUBUIXWJYSE,UHFFFAOYSA,O,Pelargonidin 3-galactoside,ABVCUBUIXWJYSE-UHFFFAOYSA-O
HMDB33683,316.094688244,C17H16O6,COC1=C(O)C2=C(C=C1)C1OC3=C(C=CC(O)=C3OC)C1CO2,"InChI=1S/C17H16O6/c1-20-12-6-4-9-14-10(7-22-15(9)13(12)19)8-3-5-11(18)17(21-2)16(8)23-14/h3-6,10,14,18-19H,7H2,1-2H3",AHWUIMDBTDTTRI,UHFFFAOYSA,N,Melilotocarpan E,AHWUIMDBTDTTRI-UHFFFAOYSA-N
HMDB33684,426.386166222,C30H50O,CC(CCC(=C)C(C)(C)C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C,"InChI=1S/C30H50O/c1-19(9-10-20(2)28(4,5)6)23-13-14-25-22-11-12-24-21(3)27(31)16-18-30(24,8)26(22)15-17-29(23,25)7/h11,19,21,23-27,31H,2,9-10,12-18H2,1,3-8H3",KRMCRDNDVNGZDL,UHFFFAOYSA,N,25-Methylgramisterol,KRMCRDNDVNGZDL-UHFFFAOYSA-N
HMDB33685,530.397124838,C33H54O5,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1,"InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)",IELOKBJPULMYRW,UHFFFAOYSA,N,alpha-Tocopherol succinate,IELOKBJPULMYRW-UHFFFAOYSA-N
HMDB33686,440.401816286,C31H52O,C\C=C(\CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3)C(C)C,"InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h9,20-22,24-25,28,32H,10-19H2,1-8H3/b23-9-",WJNCLXFJDFOIKU,AQHIEDMUSA,N,"(3beta,4alpha,5alpha,24(28)Z)-4,14-Dimethylstigmasta-8,24(28)-dien-3-ol",WJNCLXFJDFOIKU-AQHIEDMUSA-N
HMDB33687,757.219118752,C33H41O20,OCC1OC(OC2C(OC3=CC4=C(C=C(O)C=C4OC4OC(CO)C(O)C(O)C4O)[O+]=C3C3=CC=C(O)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O20/c34-8-18-21(39)24(42)27(45)31(50-18)48-16-6-13(38)5-15-14(16)7-17(29(47-15)11-1-3-12(37)4-2-11)49-33-30(26(44)23(41)20(10-36)52-33)53-32-28(46)25(43)22(40)19(9-35)51-32/h1-7,18-28,30-36,39-46H,8-10H2,(H-,37,38)/p+1",XPMFXZDODDEKIK,UHFFFAOYSA,O,Pelargonidin 3-sophoroside 5-glucoside,XPMFXZDODDEKIK-UHFFFAOYSA-O
HMDB33688,388.188588628,C22H28O6,CCCC1=CC(=O)OC2=C1C(O)=C1CC(O)C(C)(C)OC1=C2C(=O)CC(C)C,"InChI=1S/C22H28O6/c1-6-7-12-9-16(25)27-21-17(12)19(26)13-10-15(24)22(4,5)28-20(13)18(21)14(23)8-11(2)3/h9,11,15,24,26H,6-8,10H2,1-5H3",IWXVZIMHJKPWIP,UHFFFAOYSA,N,Pyranomammea C,IWXVZIMHJKPWIP-UHFFFAOYSA-N
HMDB33689,741.22420413,C33H41O19,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC=C(O)C=C3)[C@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C33H40O19/c1-11-21(38)24(41)27(44)31(47-11)46-10-20-23(40)26(43)30(52-32-28(45)25(42)22(39)19(9-34)50-32)33(51-20)49-18-8-15-16(37)6-14(36)7-17(15)48-29(18)12-2-4-13(35)5-3-12/h2-8,11,19-28,30-34,38-45H,9-10H2,1H3,(H2-,35,36,37)/p+1/t11-,19?,20+,21-,22+,23+,24+,25-,26-,27+,28+,30+,31+,32-,33+/m0/s1",YGSWCXGIDLPEGH,HVZHPKBVSA,O,Pelargonidin 3-(2glu glucosylrutinoside),YGSWCXGIDLPEGH-HVZHPKBVSA-O
HMDB33690,488.277403634,C28H40O7,CC1CC(OC(=O)C1C)C(C)(O)C1C(O)CC2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H40O7/c1-13-10-21(34-24(32)14(13)2)27(5,33)23-18(29)12-17-15-11-22-28(35-22)20(31)7-6-19(30)26(28,4)16(15)8-9-25(17,23)3/h6-7,13-18,20-23,29,31,33H,8-12H2,1-5H3",CZKZWDJWVZTWCF,UHFFFAOYSA,N,Withaphysacarpin,CZKZWDJWVZTWCF-UHFFFAOYSA-N
HMDB33691,284.104859,C17H16O4,COC1=CC(O)=C(C(=O)\C=C\C2=CC=CC=C2)C(OC)=C1,"InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+",QKQLSQLKXBHUSO,CMDGGOBGSA,N,"2'-Hydroxy-4',6'-dimethoxychalcone",QKQLSQLKXBHUSO-CMDGGOBGSA-N
HMDB33692,316.094688244,C17H16O6,COC1=C(O)C2=C(C=C1)C1COC3=C(C=CC(OC)=C3O)C1O2,"InChI=1S/C17H16O6/c1-20-11-6-4-9-15-10(7-22-16(9)13(11)18)8-3-5-12(21-2)14(19)17(8)23-15/h3-6,10,15,18-19H,7H2,1-2H3",TYCXZCXHNKDQCZ,UHFFFAOYSA,N,Melilotocarpan D,TYCXZCXHNKDQCZ-UHFFFAOYSA-N
HMDB33693,242.167065326,C17H22O,CCCCCCC\C=C\CC#CC#CC(=O)C=C,"InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3/b11-10+",UQEBOJRXTNLPKZ,ZHACJKMWSA,N,Falcarinone,UQEBOJRXTNLPKZ-ZHACJKMWSA-N
HMDB33694,474.137340918,C20H26O13,OCC1(O)COC(OCC2OC(OC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C1O,"InChI=1S/C20H26O13/c21-7-20(29)8-31-19(17(20)28)30-6-12-14(25)15(26)16(27)18(32-12)33-13(24)4-2-9-1-3-10(22)11(23)5-9/h1-5,12,14-19,21-23,25-29H,6-8H2/b4-2+",LULOGYYPGZOKQW,DUXPYHPUSA,N,trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester,LULOGYYPGZOKQW-DUXPYHPUSA-N
HMDB33695,199.995702482,C7H4O7,OC(=O)C1=CC(=O)C(O)=C(O1)C(O)=O,"InChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13)",ZEGRKMXCOCRTCS,UHFFFAOYSA,N,Poppy acid,ZEGRKMXCOCRTCS-UHFFFAOYSA-N
HMDB33696,721.440111863,C39H63NO11,CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,"InChI=1S/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3",OCVQAFQRXHOFMV,UHFFFAOYSA,N,beta-Solanine,OCVQAFQRXHOFMV-UHFFFAOYSA-N
HMDB33697,330.110338308,C18H18O6,COC1=C(O)C2=C(C=C1)C1OC3=C(C=CC(OC)=C3OC)C1CO2,"InChI=1S/C18H18O6/c1-20-12-6-5-10-15-11(8-23-16(10)14(12)19)9-4-7-13(21-2)18(22-3)17(9)24-15/h4-7,11,15,19H,8H2,1-3H3",ITMVICNONDPRSU,UHFFFAOYSA,N,Melilotocarpan C,ITMVICNONDPRSU-UHFFFAOYSA-N
HMDB33698,130.062994186,C6H10O3,CC(OC(C)=O)C(C)=O,"InChI=1S/C6H10O3/c1-4(7)5(2)9-6(3)8/h5H,1-3H3",ZKPTYCJWRHHBOW,UHFFFAOYSA,N,Acetoin acetate,ZKPTYCJWRHHBOW-UHFFFAOYSA-N
HMDB33699,247.105587281,C10H17NO6,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OC(C)(C)C#N)[C@]1([H])O,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",QLTCHMYAEJEXBT,ZEBDFXRSSA,N,Linamarin,QLTCHMYAEJEXBT-ZEBDFXRSSA-N
HMDB33700,168.115029756,C10H16O2,CC\C=C\CC1CCCC(=O)O1,"InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3+",XPPALVZZCMPTIV,ONEGZZNKSA,N,(-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one,XPPALVZZCMPTIV-ONEGZZNKSA-N
HMDB33701,221.105193351,C12H15NO3,COC1=C2CN(C)CCC2=CC2=C1OCO2,"InChI=1S/C12H15NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5H,3-4,6-7H2,1-2H3",XXANNZJIZQTCBP,UHFFFAOYSA,N,Hydrocotarnine,XXANNZJIZQTCBP-UHFFFAOYSA-N
HMDB33702,270.089208936,C16H14O4,COC1=CC(O)=C(C(=O)\C=C\C2=CC=CC=C2)C(O)=C1,"InChI=1S/C16H14O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-10,18-19H,1H3/b8-7+",CUGDOWNTXKLQMD,BQYQJAHWSA,N,Pinostrobin chalcone,CUGDOWNTXKLQMD-BQYQJAHWSA-N
HMDB33703,666.361527192,C35H54O12,CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1,"InChI=1S/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3",BKLVUVLBSZAKIF,UHFFFAOYSA,N,Coroloside,BKLVUVLBSZAKIF-UHFFFAOYSA-N
HMDB33704,180.063388116,C6H12O6,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1",WQZGKKKJIJFFOK,SVZMEOIVSA,N,L-Galactose,WQZGKKKJIJFFOK-SVZMEOIVSA-N
HMDB33705,522.137340918,C24H26O13,OCC1OC(OC2=C(O)C=CC(\C=C/C(=O)OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=C2)C(O)C(O)C1O,"InChI=1S/C24H26O13/c25-10-18-20(30)21(31)22(32)24(37-18)36-16-8-11(1-5-14(16)27)3-6-19(29)35-17(23(33)34)9-12-2-4-13(26)15(28)7-12/h1-8,17-18,20-22,24-28,30-32H,9-10H2,(H,33,34)/b6-3-",DSMWJDJWYGMEBO,UTCJRWHESA,N,Salviaflaside,DSMWJDJWYGMEBO-UTCJRWHESA-N
HMDB33706,536.152990982,C25H28O13,COC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C/C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1,"InChI=1S/C25H28O13/c1-35-24(34)18(10-13-3-5-14(27)16(29)8-13)36-20(30)7-4-12-2-6-15(28)17(9-12)37-25-23(33)22(32)21(31)19(11-26)38-25/h2-9,18-19,21-23,25-29,31-33H,10-11H2,1H3/b7-4-",FTNAQWBISUHBPD,DAXSKMNVSA,N,Salviaflaside methyl ester,FTNAQWBISUHBPD-DAXSKMNVSA-N
HMDB33707,248.141244506,C15H20O3,CC1=CC2=C(C=C1O)C(CC(O2)C(C)(C)O)C=C,"InChI=1S/C15H20O3/c1-5-10-7-14(15(3,4)17)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3",USPLMZMYYNDHOT,UHFFFAOYSA,N,Heliannuol E,USPLMZMYYNDHOT-UHFFFAOYSA-N
HMDB33708,404.18350325,C22H28O7,CCCC1=CC(=O)OC2=C(C(=O)CC(C)C)C(O)=C3CC(OC3=C12)C(C)(C)OO,"InChI=1S/C22H28O7/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)29-26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3",KTMGXZPJSXTUNM,UHFFFAOYSA,N,Furomammea D,KTMGXZPJSXTUNM-UHFFFAOYSA-N
HMDB33709,504.308703762,C29H44O7,CC1OC(CC(O)C1O)OC1CCC2(C)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1,"InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3",NQOMDNMTNVQXRR,UHFFFAOYSA,N,Desglucocoroloside,NQOMDNMTNVQXRR-UHFFFAOYSA-N
HMDB33710,326.151809192,C20H22O4,COC1=C(O)C=CC(CCC(=O)CC(=O)CCC2=CC=CC=C2)=C1,"InChI=1S/C20H22O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,23H,7-8,10-11,14H2,1H3",NMQRUGZIKWUACB,UHFFFAOYSA,N,"1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione",NMQRUGZIKWUACB-UHFFFAOYSA-N
HMDB33711,298.15689457,C19H22O3,OC(CCC1=CC=C(O)C=C1)CC(=O)CCC1=CC=CC=C1,"InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2",UNMNJFPAJOHXMT,UHFFFAOYSA,N,5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone,UNMNJFPAJOHXMT-UHFFFAOYSA-N
HMDB33712,382.141638436,C22H22O6,COC1=CC2=C(C=C(C(=O)O2)C2=C(O)C=C(O)C=C2)C(OC)=C1CC=C(C)C,"InChI=1S/C22H22O6/c1-12(2)5-7-15-19(26-3)11-20-17(21(15)27-4)10-16(22(25)28-20)14-8-6-13(23)9-18(14)24/h5-6,8-11,23-24H,7H2,1-4H3",FWWGXZYUURXJLK,UHFFFAOYSA,N,Glycyrin,FWWGXZYUURXJLK-UHFFFAOYSA-N
HMDB33713,170.167065326,C11H22O,CCCCCCCCCC(C)=O,"InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3",KYWIYKKSMDLRDC,UHFFFAOYSA,N,2-Undecanone,KYWIYKKSMDLRDC-UHFFFAOYSA-N
HMDB33714,98.073164942,C6H10O,CC\C=C(\C)C=O,"InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4-",IDEYZABHVQLHAF,XQRVVYSFSA,N,2-Methyl-2-pentenal,IDEYZABHVQLHAF-XQRVVYSFSA-N
HMDB33715,1520.688244598,C68H112O37,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CC(=O)C3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(C)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C68H112O37/c1-22(20-91-59-49(85)44(80)41(77)33(16-69)96-59)9-12-68(90)23(2)38-32(105-68)14-30-28-8-7-26-13-27(10-11-66(26,5)29(28)15-37(74)67(30,38)6)95-63-52(88)46(82)55(35(18-71)98-63)101-64-53(89)47(83)56(36(19-72)99-64)102-65-58(104-60-48(84)40(76)31(73)21-92-60)57(42(78)34(17-70)97-65)103-62-51(87)45(81)54(25(4)94-62)100-61-50(86)43(79)39(75)24(3)93-61/h22-36,38-65,69-73,75-90H,7-21H2,1-6H3",IMDVEXVWVKJLBU,UHFFFAOYSA,N,Agavasaponin H,IMDVEXVWVKJLBU-UHFFFAOYSA-N
HMDB33716,134.073164942,C9H10O,O=CCCC1=CC=CC=C1,"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2",YGCZTXZTJXYWCO,UHFFFAOYSA,N,3-Phenylpropanal,YGCZTXZTJXYWCO-UHFFFAOYSA-N
HMDB33717,192.02700261,C6H8O7,O[C@H]([C@@H](CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m1/s1",ODBLHEXUDAPZAU,VVJJHMBFSA,N,"(1R,2R)-Isocitric acid",ODBLHEXUDAPZAU-VVJJHMBFSA-N
HMDB33718,287.086583173,C9H13N5O6,NC1=C(C(NC2OC(CO)C(O)C2O)=NC=N1)N(=O)=O,"InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)",OHEMBWZZEKCBAS,UHFFFAOYSA,N,Clitocine,OHEMBWZZEKCBAS-UHFFFAOYSA-N
HMDB33719,422.448766478,C29H58O,CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCC,"InChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h3-28H2,1-2H3",ZPVRGRJHOPAZOE,UHFFFAOYSA,N,10-Nonacosanone,ZPVRGRJHOPAZOE-UHFFFAOYSA-N
HMDB33720,300.063388116,C16H12O6,OC1=CC2=C(C=C1)C1OC3=CC4=C(OCO4)C=C3C1(O)CO2,"InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2",GLMPLZUBQDAZEN,UHFFFAOYSA,N,6alpha-Hydroxymaackiain,GLMPLZUBQDAZEN-UHFFFAOYSA-N
HMDB33721,254.297351216,C18H38,CCCCCCCCCCCCCCCCCC,"InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",RZJRJXONCZWCBN,UHFFFAOYSA,N,Octadecane,RZJRJXONCZWCBN-UHFFFAOYSA-N
HMDB33722,298.047738052,C16H10O6,COC1=C(O)C2=C(C=C1)C1=C(C3=C(O1)C=C(O)C=C3)C(=O)O2,"InChI=1S/C16H10O6/c1-20-10-5-4-9-14-12(16(19)22-15(9)13(10)18)8-3-2-7(17)6-11(8)21-14/h2-6,17-18H,1H3",YLRNDYZYIUVEDH,UHFFFAOYSA,N,Sativol,YLRNDYZYIUVEDH-UHFFFAOYSA-N
HMDB33723,164.083729628,C10H12O2,CC(=O)CCC1=CC=C(O)C=C1,"InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3",NJGBTKGETPDVIK,UHFFFAOYSA,N,4-(4-Hydroxyphenyl)-2-butanone,NJGBTKGETPDVIK-UHFFFAOYSA-N
HMDB33724,184.146329884,C11H20O2,OC(=O)CCCCCCCCC=C,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)",FRPZMMHWLSIFAZ,UHFFFAOYSA,N,Undecylenic acid,FRPZMMHWLSIFAZ-UHFFFAOYSA-N
HMDB33725,1211.309115548,C56H59O30,COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC5=C(OC6OC(COC(=O)CC(O)=O)C(O)C(O)C6O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C56H58O30/c1-75-33-13-24(14-34(76-2)43(33)67)6-12-41(65)85-52-48(72)44(68)36(20-57)82-56(52)86-53-49(73)46(70)38(21-77-40(64)11-5-23-3-8-26(58)9-4-23)84-55(53)81-35-18-28-31(79-51(35)25-7-10-29(60)30(61)15-25)16-27(59)17-32(28)80-54-50(74)47(71)45(69)37(83-54)22-78-42(66)19-39(62)63/h3-18,36-38,44-50,52-57,68-74H,19-22H2,1-2H3,(H5-,58,59,60,61,62,63,64,65,67)/p+1",LWSFQZYPYMWZSK,UHFFFAOYSA,O,"Cyanidin 3-O-[4-Hydroxycinnamoyl-(->6)-[4-hydroxy-3,5-dimethoxycinnamoyl-(->2)-b-D-glucopyranosyl-(1->2)]-b-D-glucopyranoside] 5-O-(6-O-malonyl-b-D-glucopyranoside)",LWSFQZYPYMWZSK-UHFFFAOYSA-O
HMDB33726,1241.319680234,C57H61O31,COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC5=C(OC6OC(COC(=O)CC(O)=O)C(O)C(O)C6O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)OC(COC(=O)\C=C\C4=CC(OC)=C(O)C=C4)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C57H60O31/c1-76-33-12-23(4-8-29(33)61)5-10-41(65)79-21-39-47(71)50(74)54(88-57-53(49(73)45(69)37(20-58)84-57)87-42(66)11-6-24-13-34(77-2)44(68)35(14-24)78-3)56(86-39)83-36-18-27-31(81-52(36)25-7-9-28(60)30(62)15-25)16-26(59)17-32(27)82-55-51(75)48(72)46(70)38(85-55)22-80-43(67)19-40(63)64/h4-18,37-39,45-51,53-58,69-75H,19-22H2,1-3H3,(H5-,59,60,61,62,63,64,65,66,68)/p+1",NQJSYOHZDGEHAT,UHFFFAOYSA,O,"Cyanidin 3-O-[[4-Hydroxy-3,5-dimethoxycinnamoyl-(->2)-b-D-glucopyranosyl-(1->2)]-[4-hydroxy-3-methoxycinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-(6-O-malonyl-b-D-glucopyranoside)",NQJSYOHZDGEHAT-UHFFFAOYSA-O
HMDB33727,442.381080844,C30H50O2,CC1C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1(C)O,"InChI=1S/C30H50O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h19-22,24,32H,9-18H2,1-8H3",VCUCVBNQZJFUDR,UHFFFAOYSA,N,gamma-Taraxastanonol,VCUCVBNQZJFUDR-UHFFFAOYSA-N
HMDB33728,458.303224454,C28H42O5,CC(C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C)C1CC(C)=C(CO)C(=O)O1,"InChI=1S/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)21-7-8-22-19-6-5-17-12-18(30)13-25(31)28(17,4)23(19)9-10-27(21,22)3/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3",FYYIHVSEGVWNCF,UHFFFAOYSA,N,Pubesenolide,FYYIHVSEGVWNCF-UHFFFAOYSA-N
HMDB33729,662.36661257,C36H54O11,CC(C1CCC2C3CC=C4CC(CC(OC(C)=O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CC(C)=C(CO)C(=O)O1,"InChI=1S/C36H54O11/c1-17-12-27(46-33(43)23(17)15-37)18(2)24-8-9-25-22-7-6-20-13-21(45-34-32(42)31(41)30(40)28(16-38)47-34)14-29(44-19(3)39)36(20,5)26(22)10-11-35(24,25)4/h6,18,21-22,24-32,34,37-38,40-42H,7-16H2,1-5H3",SKADEWVNQSRPEJ,UHFFFAOYSA,N,"1-Acetyl-3,27-dihydroxywitha-5,24-dienolide 3-glucoside",SKADEWVNQSRPEJ-UHFFFAOYSA-N
HMDB33730,152.068473494,C5H12O5,OCC(O)C(O)(CO)CO,"InChI=1S/C5H12O5/c6-1-4(9)5(10,2-7)3-8/h4,6-10H,1-3H2",SDXWEZQDLHNYFR,UHFFFAOYSA,N,"L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol",SDXWEZQDLHNYFR-UHFFFAOYSA-N
HMDB33731,129.057849229,C9H7N,C1=CC=C2N=CC=CC2=C1,InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H,SMWDFEZZVXVKRB,UHFFFAOYSA,N,Quinoline,SMWDFEZZVXVKRB-UHFFFAOYSA-N
HMDB33732,314.07903818,C17H14O6,COC1=CC=C2C3OC4=C(C=C5OCOC5=C4)C3(O)COC2=C1,"InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3",LZMRDTLRSDRUSU,UHFFFAOYSA,N,Pisatin,LZMRDTLRSDRUSU-UHFFFAOYSA-N
HMDB33733,181.037507717,C8H7NO4,OC1OC2=CC=CC=C2N(O)C1=O,"InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H",COVOPZQGJGUPEY,UHFFFAOYSA,N,"2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one",COVOPZQGJGUPEY-UHFFFAOYSA-N
HMDB33734,343.090331147,C14H17NO9,OCC1OC(OC2OC3=CC=CC=C3N(O)C2=O)C(O)C(O)C1O,"InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2",OUSLYTBGQGKTME,UHFFFAOYSA,N,DIBOA-Glc,OUSLYTBGQGKTME-UHFFFAOYSA-N
HMDB33735,244.073558872,C14H12O4,CC1(C)CC(=O)C2=CC3=C(OC(=O)C=C3)C=C2O1,"InChI=1S/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H3",WEDGVCZUPFZNDE,UHFFFAOYSA,N,Graveolone,WEDGVCZUPFZNDE-UHFFFAOYSA-N
HMDB33736,142.062994186,C7H10O3,CCC1OC(C)=C(O)C1=O,"InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3",GWCRPYGYVRXVLI,UHFFFAOYSA,N,Homofureanol,GWCRPYGYVRXVLI-UHFFFAOYSA-N
HMDB33737,293.141578857,C19H19NO2,COC1=C(OC)C2=C3C(CCN(C)C3=CC3=CC=CC=C23)=C1,"InChI=1S/C19H19NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,10-11H,8-9H2,1-3H3",JBGSWIBJAGBGOP,UHFFFAOYSA,N,Dehydronuciferine,JBGSWIBJAGBGOP-UHFFFAOYSA-N
HMDB33738,742.232029162,C33H42O19,CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H42O19/c1-11-22(38)25(41)28(44)31(46-11)52-30-27(43)24(40)20(10-35)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(5-3-12)47-32-29(45)26(42)23(39)19(9-34)50-32/h2-7,11,17,19-20,22-36,38-45H,8-10H2,1H3",FHXACOPOJBXRQQ,UHFFFAOYSA,N,Naringin 4'-glucoside,FHXACOPOJBXRQQ-UHFFFAOYSA-N
HMDB33739,434.121296924,C21H22O10,OCC1OC(OC2=CC(O)=CC3=C2C(=O)CC(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2",MFQIWHVVFBCURA,UHFFFAOYSA,N,Floribundoside,MFQIWHVVFBCURA-UHFFFAOYSA-N
HMDB33740,580.179205732,C27H32O14,CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3",HXTFHSYLYXVTHC,UHFFFAOYSA,N,Narirutin,HXTFHSYLYXVTHC-UHFFFAOYSA-N
HMDB33741,448.136946988,C22H24O10,COC1=C2C(=O)CC(OC2=CC(OC2OC(CO)C(O)C(O)C2O)=C1)C1=CC=C(O)C=C1,"InChI=1S/C22H24O10/c1-29-15-6-12(30-22-21(28)20(27)19(26)17(9-23)32-22)7-16-18(15)13(25)8-14(31-16)10-2-4-11(24)5-3-10/h2-7,14,17,19-24,26-28H,8-9H2,1H3",YKLXLXHFKNDXOH,UHFFFAOYSA,N,Puddumin A,YKLXLXHFKNDXOH-UHFFFAOYSA-N
HMDB33742,102.068079564,C5H10O2,CC[C@H](C)C(O)=O,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1",WLAMNBDJUVNPJU,BYPYZUCNSA,N,(S)-2-Methylbutanoic acid,WLAMNBDJUVNPJU-BYPYZUCNSA-N
HMDB33743,280.073558872,C17H12O4,OC1=CC2=C(C=C1)C1COC3=C(C=C4C=COC4=C3)C1O2,"InChI=1S/C17H12O4/c18-10-1-2-11-13-8-20-15-7-14-9(3-4-19-14)5-12(15)17(13)21-16(11)6-10/h1-7,13,17-18H,8H2",UUDOMPYHVUEXEE,UHFFFAOYSA,N,Neodunol,UUDOMPYHVUEXEE-UHFFFAOYSA-N
HMDB33745,130.099379692,C7H14O2,CCOC(=O)C(C)CC,"InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3",HCRBXQFHJMCTLF,UHFFFAOYSA,N,Ethyl 2-methylbutyrate,HCRBXQFHJMCTLF-UHFFFAOYSA-N
HMDB33746,110.019020882,C6H6S,SC1=CC=CC=C1,"InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H",RMVRSNDYEFQCLF,UHFFFAOYSA,N,Benzenethiol,RMVRSNDYEFQCLF-UHFFFAOYSA-N
HMDB33747,161.068807845,C6H11NO4,CC(NC(C)C(O)=O)C(O)=O,"InChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)",FIOHTMQGSFVHEZ,UHFFFAOYSA,N,"(±)-2,2'-Iminobispropanoic acid",FIOHTMQGSFVHEZ-UHFFFAOYSA-N
HMDB33748,504.169034976,C18H32O16,OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-14-12(27)9(24)6(2-20)31-17(14)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2",LNRUEZIDUKQGRH,UHFFFAOYSA,N,Umbelliferose,LNRUEZIDUKQGRH-UHFFFAOYSA-N
HMDB33749,610.304287086,C37H42N2O6,COC1=CC=C(CC2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=CC(OC)=C(O)C=C56)=C4)C=C23)C=C1,"InChI=1S/C37H42N2O6/c1-38-15-13-26-20-36(44-5)37(22-29(26)30(38)16-23-6-9-27(42-3)10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-33(41)34(43-4)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3",AJPXZTKPPINUKN,UHFFFAOYSA,N,Isoliensinine,AJPXZTKPPINUKN-UHFFFAOYSA-N
HMDB33750,212.089602866,C7H16O7,OCC(O)C(O)C(O)C(O)C(O)CO,"InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2",OXQKEKGBFMQTML,UHFFFAOYSA,N,D-Glycero-D-galacto-heptitol,OXQKEKGBFMQTML-UHFFFAOYSA-N
HMDB33751,448.100561482,C21H20O11,C[C@@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",OXGUCUVFOIWWQJ,HQBVPOQASA,N,Quercitrin,OXGUCUVFOIWWQJ-HQBVPOQASA-N
HMDB33752,166.062994186,C9H10O3,OC(=O)CCC1=CC=CC=C1O,"InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)",CJBDUOMQLFKVQC,UHFFFAOYSA,N,3-(2-Hydroxyphenyl)propanoic acid,CJBDUOMQLFKVQC-UHFFFAOYSA-N
HMDB33753,610.517239972,C37H70O6,CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1S/C37H70O6/c1-4-7-10-13-16-18-21-23-26-29-35(38)41-32-34(43-37(40)31-28-25-20-15-12-9-6-3)33-42-36(39)30-27-24-22-19-17-14-11-8-5-2/h34H,4-33H2,1-3H3",NTSSIIDXDVUTDN,UHFFFAOYSA,N,"Glycerol 1,3-didodecanoate 2-decanoate",NTSSIIDXDVUTDN-UHFFFAOYSA-N
HMDB33754,840.314577,C50H48O12,CC(C)=CCC1=C(OC2=C(\C=C\C3(C)CC(C=C(C)C3)C3=C4OC(=C(CC=C(C)C)C(=O)C4=C(O)C=C3O)C3=C(O)C=C(O)C=C3)C(O)=CC(O)=C2C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C50H48O12/c1-24(2)7-11-33-44(59)42-39(57)20-37(55)32(48(42)61-46(33)30-13-9-28(51)18-35(30)53)15-16-50(6)22-26(5)17-27(23-50)41-38(56)21-40(58)43-45(60)34(12-8-25(3)4)47(62-49(41)43)31-14-10-29(52)19-36(31)54/h7-10,13-21,27,51-58H,11-12,22-23H2,1-6H3/b16-15+",NYWCVTMERWKLGP,FOCLMDBBSA,N,Albanin H,NYWCVTMERWKLGP-FOCLMDBBSA-N
HMDB33755,174.115698458,C11H14N2,CCCCC1=NC2=CC=CC=C2N1,"InChI=1S/C11H14N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13)",HITWHALOZBMLHY,UHFFFAOYSA,N,2-Butyl-1H-benzimidazole,HITWHALOZBMLHY-UHFFFAOYSA-N
HMDB33756,438.167853186,C25H26O7,CC(C)=CCC1=C(OC2=C(C(O)=CC3=C2CC(O3)C(C)(C)O)C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C25H26O7/c1-12(2)5-7-15-22(29)21-18(28)11-19-16(10-20(31-19)25(3,4)30)24(21)32-23(15)14-8-6-13(26)9-17(14)27/h5-6,8-9,11,20,26-28,30H,7,10H2,1-4H3",ZDJLVJJUSHPYOI,UHFFFAOYSA,N,Albanin C,ZDJLVJJUSHPYOI-UHFFFAOYSA-N
HMDB33757,239.058243159,C14H9NO3,CC1=CC(=O)NC2=C1C(=O)C1=C(C=CC=C1)C2=O,"InChI=1S/C14H9NO3/c1-7-6-10(16)15-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3,(H,15,16)",GYAHTYNHCVTZOK,UHFFFAOYSA,N,Marcanine A,GYAHTYNHCVTZOK-UHFFFAOYSA-N
HMDB33758,267.121906047,C12H17N3O4,NC(CCC(=O)NNC1=CC=C(CO)C=C1)C(O)=O,"InChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)",SRSPQXBFDCGXIZ,UHFFFAOYSA,N,L-Agaritine,SRSPQXBFDCGXIZ-UHFFFAOYSA-N
HMDB33759,270.089208936,C16H14O4,COC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3",INYISIYHXQDCPK,UHFFFAOYSA,N,Dihydroformononetin,INYISIYHXQDCPK-UHFFFAOYSA-N
HMDB33760,300.063388116,C16H12O6,COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-10(16(15)20)8-2-3-11(17)12(18)4-8/h2-7,17-19H,1H3",OEYQBKYISMRWQB,UHFFFAOYSA,N,Santal,OEYQBKYISMRWQB-UHFFFAOYSA-N
HMDB33761,180.07864425,C10H12O3,COC1=CC=C(COC(C)=O)C=C1,"InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3",HFNGYHHRRMSKEU,UHFFFAOYSA,N,4-Methoxybenzyl acetate,HFNGYHHRRMSKEU-UHFFFAOYSA-N
HMDB33762,566.121296924,C32H22O10,COC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC(=C(OC)C=C1)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1,"InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3",AIFCFBUSLAEIBR,UHFFFAOYSA,N,Ginkgetin,AIFCFBUSLAEIBR-UHFFFAOYSA-N
HMDB33763,179.094628665,C10H13NO2,CCOC(=O)C1=CC=CC=C1NC,"InChI=1S/C10H13NO2/c1-3-13-10(12)8-6-4-5-7-9(8)11-2/h4-7,11H,3H2,1-2H3",WBSWYVBUGLBCOV,UHFFFAOYSA,N,Ethyl N-methylanthranilate,WBSWYVBUGLBCOV-UHFFFAOYSA-N
HMDB33764,161.033290737,C6H11NS2,CSCCCCN=C=S,"InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3",IHQDGXUYTSZGOG,UHFFFAOYSA,N,Erucin,IHQDGXUYTSZGOG-UHFFFAOYSA-N
HMDB33765,172.0524295,C11H8O2,COC(=O)\C=C\C#CC#CC#CC,"InChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9+",LBAVIXQTLKRIGP,MDZDMXLPSA,N,"Methyl (Z)-2-decene-4,6,8-triynoate",LBAVIXQTLKRIGP-MDZDMXLPSA-N
HMDB33766,136.0524295,C8H8O2,COC1=CC=CC=C1C=O,"InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3",PKZJLOCLABXVMC,UHFFFAOYSA,N,2-Methoxybenzaldehyde,PKZJLOCLABXVMC-UHFFFAOYSA-N
HMDB33768,588.163161738,C32H28O11,COC1=CC2=C(C(O)=C3C(=O)CC(C)(O)OC3=C2C2=C(OC)C=C3C=C4OC(C)=CC(=O)C4=C(O)C3=C2OC)C(OC)=C1,"InChI=1S/C32H28O11/c1-13-7-17(33)25-21(42-13)9-14-8-19(39-4)27(30(41-6)22(14)28(25)35)24-16-10-15(38-3)11-20(40-5)23(16)29(36)26-18(34)12-32(2,37)43-31(24)26/h7-11,35-37H,12H2,1-6H3",AMDZXTMMLFPGSD,UHFFFAOYSA,N,Fonsecinone B,AMDZXTMMLFPGSD-UHFFFAOYSA-N
HMDB33769,432.323959896,C27H44O4,CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CC(O)C23C)OC11CCC(C)CO1,"InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3",BQNMOLSYHYSCMS,UHFFFAOYSA,N,Rockogenin,BQNMOLSYHYSCMS-UHFFFAOYSA-N
HMDB33770,552.147905604,C25H28O14,COC1=CC2=C(C(=O)C3=C(O2)C=CC(O)=C3)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C1,"InChI=1S/C25H28O14/c1-34-10-5-14-17(18(28)11-4-9(26)2-3-13(11)37-14)15(6-10)38-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)12(27)7-35-24/h2-6,12,16,19-27,29-33H,7-8H2,1H3",MWZPGBNWDUPMFG,UHFFFAOYSA,N,7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,MWZPGBNWDUPMFG-UHFFFAOYSA-N
HMDB33771,260.104859,C15H16O4,COC1=CC(O)=C(OC2=CC(C)=CC(O)=C2)C(C)=C1,"InChI=1S/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3",KXXZLMLLYMPYJE,UHFFFAOYSA,N,Cyperine,KXXZLMLLYMPYJE-UHFFFAOYSA-N
HMDB33772,88.088815006,C5H12O,CCC(C)(C)O,"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3",MSXVEPNJUHWQHW,UHFFFAOYSA,N,2-Methyl-2-butanol,MSXVEPNJUHWQHW-UHFFFAOYSA-N
HMDB33773,526.18389718,C28H30O10,CC12OC(=O)C3(O)CCC4C(C(O)C=C5CC=CC(=O)C45C)C4(O)OC13C(C4=O)C1(C)CC2OC(=O)C1=C,"InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3",VELDODQHYQSJOF,UHFFFAOYSA,N,Physalin A,VELDODQHYQSJOF-UHFFFAOYSA-N
HMDB33774,116.083729628,C6H12O2,CCC(C)CC(O)=O,"InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",IGIDLTISMCAULB,UHFFFAOYSA,N,3-Methylpentanoic acid,IGIDLTISMCAULB-UHFFFAOYSA-N
HMDB33775,574.423339588,C35H58O6,CCC(\C=C\C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+",ITYGLICZKGWOPA,CMDGGOBGSA,N,alpha-Spinasterol 3-glucoside,ITYGLICZKGWOPA-CMDGGOBGSA-N
HMDB33776,222.089208936,C12H14O4,COC1=C2OCOC2=C(OC)C(CC=C)=C1,"InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3",QQRSPHJOOXUALR,UHFFFAOYSA,N,Apiole,QQRSPHJOOXUALR-UHFFFAOYSA-N
HMDB33777,88.088815006,C5H12O,CC(C)C(C)O,"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3",MXLMTQWGSQIYOW,UHFFFAOYSA,N,3-Methyl-2-butanol,MXLMTQWGSQIYOW-UHFFFAOYSA-N
HMDB33778,208.109944378,C12H16O3,COC1=CC(CC=C)=CC(OC)=C1OC,"InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3",BPLQKQKXWHCZSS,UHFFFAOYSA,N,Elemicin,BPLQKQKXWHCZSS-UHFFFAOYSA-N
HMDB33779,218.057908808,C12H10O4,OC(=O)\C=C\C=C/C1=CC2=C(OCO2)C=C1,"InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1-,4-2+",RHBGITBPARBDPH,HSFFGMMNSA,N,Piperic acid,RHBGITBPARBDPH-HSFFGMMNSA-N
HMDB33780,132.053492132,C4H8N2O3,N[C@H](CC(N)=O)C(O)=O,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1",DCXYFEDJOCDNAF,UWTATZPHSA,N,D-Asparagine,DCXYFEDJOCDNAF-UWTATZPHSA-N
HMDB33782,338.151809188,C21H22O4,CC(C)=CCC\C(C)=C/COC1=C2C=COC2=CC2=C1C=CC(=O)O2,"InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9-",DBMJZOMNXBSRED,DHDCSXOGSA,N,Bergamottin,DBMJZOMNXBSRED-DHDCSXOGSA-N
HMDB33783,290.07903818,C15H14O6,COC1=C(C2OC(O)C3(C)OC23)C2=C(C=CC(=O)O2)C=C1,"InChI=1S/C15H14O6/c1-15-13(21-15)12(20-14(15)17)10-8(18-2)5-3-7-4-6-9(16)19-11(7)10/h3-6,12-14,17H,1-2H3",VUIRVFUCVWAGFV,UHFFFAOYSA,N,Marshrin,VUIRVFUCVWAGFV-UHFFFAOYSA-N
HMDB33784,424.428031036,C28H56O2,CCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C28H56O2/c1-2-3-4-22-25-28(30)26-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-27-29/h29H,2-27H2,1H3",PTZHJVIKISISFU,UHFFFAOYSA,N,28-Hydroxy-7-octacosanone,PTZHJVIKISISFU-UHFFFAOYSA-N
HMDB33785,484.085305348,C20H20O14,OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2",FEPAFOYQTIEEIS,UHFFFAOYSA,N,Hamamelitannin,FEPAFOYQTIEEIS-UHFFFAOYSA-N
HMDB33786,340.240230268,C23H32O2,CC(C)=CCC\C(C)=C\CC\C(C)=C/CC1=CC(=O)C(C)=C(C)C1=O,"InChI=1S/C23H32O2/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-21-15-22(24)19(5)20(6)23(21)25/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13-",AUMXJZBVBBGETK,JAFZKPNWSA,N,Plastoquinone 3,AUMXJZBVBBGETK-JAFZKPNWSA-N
HMDB33787,314.115423686,C18H18O5,COC1=CC2=C(C=C1)C1COC3=CC(OC)=C(OC)C=C3C1O2,"InChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-14-8-17(21-3)16(20-2)7-12(14)18(13)23-15(11)6-10/h4-8,13,18H,9H2,1-3H3",XCRBPIBUMBLGCZ,UHFFFAOYSA,N,"2,3,9-Trimethoxypterocarpan",XCRBPIBUMBLGCZ-UHFFFAOYSA-N
HMDB33788,228.20893014,C14H28O2,CCCCCCCCCCCC(=O)OCC,"InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3",MMXKVMNBHPAILY,UHFFFAOYSA,N,Ethyl dodecanoate,MMXKVMNBHPAILY-UHFFFAOYSA-N
HMDB33789,178.084123558,C7H14O5,COC1C(O)OC(C)C(O)C1O,"InChI=1S/C7H14O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h3-10H,1-2H3",YLAMTMNJXPWCQN,UHFFFAOYSA,N,2-O-Methyl-L-fucose,YLAMTMNJXPWCQN-UHFFFAOYSA-N
HMDB33790,270.05282343,C15H10O5,CC1=CC2=C(C(O)=C1O)C(=O)C1=C(C=CC=C1O)C2=O,"InChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3",CQNVSNFEXPKHGW,UHFFFAOYSA,N,"1,2,8-Trihydroxy-3-methylanthraquinone",CQNVSNFEXPKHGW-UHFFFAOYSA-N
HMDB33791,254.224580204,C16H30O2,CCCCCCCCCCCC\C=C/CC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h13-14H,2-12,15H2,1H3,(H,17,18)/b14-13-",PCBKWKNYISJGPJ,YPKPFQOOSA,N,(E)-3-Hexadecenoic acid,PCBKWKNYISJGPJ-YPKPFQOOSA-N
HMDB33792,226.266051088,C16H34,CCCCCCCCCCCCCCCC,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",DCAYPVUWAIABOU,UHFFFAOYSA,N,Hexadecane,DCAYPVUWAIABOU-UHFFFAOYSA-N
HMDB33793,128.083729628,C7H12O2,CC\C=C/CCC(O)=O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3-",KFXPOIKSDYRVKS,ARJAWSKDSA,N,4-Heptenoic acid,KFXPOIKSDYRVKS-ARJAWSKDSA-N
HMDB33794,140.120115134,C9H16O,CC1CCCC(C)(C)C1=O,"InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3",ZPVOLGVTNLDBFI,UHFFFAOYSA,N,"(±)-2,2,6-Trimethylcyclohexanone",ZPVOLGVTNLDBFI-UHFFFAOYSA-N
HMDB33795,434.084911418,C20H18O11,OC[C@@H]1O[C@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20+/m0/s1",BDCDNTVZSILEOY,BQCJVYABSA,N,Quercetin 3-arabinoside,BDCDNTVZSILEOY-BQCJVYABSA-N
HMDB33796,530.28796832,C30H42O8,CC(C1CC(OC(C)=O)C2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(O)O1,"InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3",QYJHRILRWPBICK,UHFFFAOYSA,N,Physapubescin,QYJHRILRWPBICK-UHFFFAOYSA-N
HMDB33797,316.094688244,C17H16O6,COC1=C(O)C=CC(\C=C(/C)C(=O)C2=C(O)C=C(O)C=C2O)=C1,"InChI=1S/C17H16O6/c1-9(5-10-3-4-12(19)15(6-10)23-2)17(22)16-13(20)7-11(18)8-14(16)21/h3-8,18-21H,1-2H3/b9-5+",MBDHLQKZIVIDEY,WEVVVXLNSA,N,Olivin,MBDHLQKZIVIDEY-WEVVVXLNSA-N
HMDB33798,210.089208936,C11H14O4,CC(C)CC(=O)C1=C(O)C=C(O)C=C1O,"InChI=1S/C11H14O4/c1-6(2)3-8(13)11-9(14)4-7(12)5-10(11)15/h4-6,12,14-15H,3H2,1-2H3",VSDWHZGJGWMIRN,UHFFFAOYSA,N,"3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone",VSDWHZGJGWMIRN-UHFFFAOYSA-N
HMDB33799,900.4718655,C45H72O18,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)(CO)O1,"InChI=1S/C45H72O18/c1-19-29-26(62-45(19)13-12-42(3,18-48)63-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)57-41-38(61-40-35(54)33(52)31(50)27(16-46)58-40)36(55)37(28(17-47)59-41)60-39-34(53)32(51)30(49)20(2)56-39/h6,19-20,22-41,46-55H,7-18H2,1-5H3",XUUBSPXZCBAWET,UHFFFAOYSA,N,26-Desglucoavenacoside A,XUUBSPXZCBAWET-UHFFFAOYSA-N
HMDB33800,272.104859,C16H16O4,COC1=CC(OC)=C(C(=O)C2=CC=CC=C2)C(OC)=C1,"InChI=1S/C16H16O4/c1-18-12-9-13(19-2)15(14(10-12)20-3)16(17)11-7-5-4-6-8-11/h4-10H,1-3H3",KFZFLPQFBYUOHV,UHFFFAOYSA,N,"2,4,6-Trimethoxybenzophenone",KFZFLPQFBYUOHV-UHFFFAOYSA-N
HMDB33801,338.115423686,C20H18O5,COC1=C(O)C=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(O)C=C2)=C1,"InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+",HJTVQHVGMGKONQ,LUZURFALSA,N,Demethoxycurcumin,HJTVQHVGMGKONQ-LUZURFALSA-N
HMDB33802,1224.57751236,C57H92O28,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)(COC2OC(CO)C(O)C(O)C2O)O1,"InChI=1S/C57H92O28/c1-21-33-28(84-57(21)13-12-54(3,85-57)20-74-49-42(70)39(67)35(63)29(16-58)77-49)15-27-25-7-6-23-14-24(8-10-55(23,4)26(25)9-11-56(27,33)5)76-53-48(41(69)37(65)31(18-60)79-53)83-52-45(73)47(82-51-44(72)40(68)36(64)30(17-59)78-51)46(32(19-61)80-52)81-50-43(71)38(66)34(62)22(2)75-50/h6,21-22,24-53,58-73H,7-20H2,1-5H3",FINVSZXHUNAWLI,UHFFFAOYSA,N,Avenacoside B,FINVSZXHUNAWLI-UHFFFAOYSA-N
HMDB33803,738.41904207,C39H62O13,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)(CO)O1,"InChI=1S/C39H62O13/c1-18-27-25(51-39(18)13-12-36(3,17-41)52-39)15-24-22-7-6-20-14-21(8-10-37(20,4)23(22)9-11-38(24,27)5)48-35-33(31(45)29(43)26(16-40)49-35)50-34-32(46)30(44)28(42)19(2)47-34/h6,18-19,21-35,40-46H,7-17H2,1-5H3",LUZAIMOWRZWFAK,UHFFFAOYSA,N,Nuatigenin 3-[rhamnosyl-(1->2)-glucoside],LUZAIMOWRZWFAK-UHFFFAOYSA-N
HMDB33804,422.172938564,C25H26O6,CC(C)=CCC1=CC(C2COC3=C(C2=O)C(O)=C2C=CC(C)(C)OC2=C3)=C(O)C=C1O,"InChI=1S/C25H26O6/c1-13(2)5-6-14-9-16(19(27)10-18(14)26)17-12-30-21-11-20-15(7-8-25(3,4)31-20)23(28)22(21)24(17)29/h5,7-11,17,26-28H,6,12H2,1-4H3",BAKSOIVZFARRJC,UHFFFAOYSA,N,Cajanone,BAKSOIVZFARRJC-UHFFFAOYSA-N
HMDB33805,841.497626741,C47H71NO12,CC1CNC2(CC3OC4(CC(=C)C5OC(O)(C(O)C6CC7OC8(CCC9(CC=CC(O9)\C=C\CCC(O)=O)O8)C(C)CC7O6)C(C)CC5C)CC(C)CC(O4)C3O2)C(C)C1,"InChI=1S/C47H71NO12/c1-26-18-36-41-38(24-45(58-41)30(5)17-27(2)25-48-45)56-44(22-26,55-36)23-29(4)40-28(3)19-32(7)47(52,59-40)42(51)37-21-35-34(53-37)20-31(6)46(57-35)16-15-43(60-46)14-10-12-33(54-43)11-8-9-13-39(49)50/h8,10-12,26-28,30-38,40-42,48,51-52H,4,9,13-25H2,1-3,5-7H3,(H,49,50)/b11-8+",BVZWTQCTAVYACS,DHZHZOJOSA,N,Azaspiracid,BVZWTQCTAVYACS-DHZHZOJOSA-N
HMDB33806,436.188588628,C26H28O6,COC1=C(C=C(CC=C(C)C)C(O)=C1)C1COC2=C(C1=O)C(O)=C1C=CC(C)(C)OC1=C2,"InChI=1S/C26H28O6/c1-14(2)6-7-15-10-17(20(30-5)11-19(15)27)18-13-31-22-12-21-16(8-9-26(3,4)32-21)24(28)23(22)25(18)29/h6,8-12,18,27-28H,7,13H2,1-5H3",REBVXJPVOISSEO,UHFFFAOYSA,N,2'-O-Methylcajanone,REBVXJPVOISSEO-UHFFFAOYSA-N
HMDB33807,1340.624856482,C62H100O31,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C62H100O31/c1-21-9-12-62(81-19-21)22(2)36-31(93-62)14-29-27-8-7-25-13-26(10-11-60(25,5)28(27)15-35(67)61(29,36)6)84-57-47(78)42(73)50(33(17-64)86-57)89-58-48(79)43(74)51(34(18-65)87-58)90-59-53(92-54-44(75)38(69)30(66)20-80-54)52(39(70)32(16-63)85-59)91-56-46(77)41(72)49(24(4)83-56)88-55-45(76)40(71)37(68)23(3)82-55/h21-34,36-59,63-66,68-79H,7-20H2,1-6H3",HYUWBRLXQLHDHD,UHFFFAOYSA,N,Agavasaponin E,HYUWBRLXQLHDHD-UHFFFAOYSA-N
HMDB33808,1062.52468893,C51H82O23,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)(CO)O1,"InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,19-55)74-51)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)66-47-43(39(63)41(30(18-54)69-47)70-44-37(61)35(59)32(56)21(2)65-44)72-46-40(64)42(34(58)29(17-53)68-46)71-45-38(62)36(60)33(57)28(16-52)67-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3",FIGFQPRWCDDAGD,UHFFFAOYSA,N,26-Desglucoavenacoside B,FIGFQPRWCDDAGD-UHFFFAOYSA-N
HMDB33809,130.02660868,C5H6O4,COC(=O)\C=C/C(O)=O,"InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2-",NKHAVTQWNUWKEO,IHWYPQMZSA,N,Methyl hydrogen fumarate,NKHAVTQWNUWKEO-IHWYPQMZSA-N
HMDB33810,410.354866094,C29H46O,CC(C)CCCC(=C)C1CCC2(C)C3CCC4C(C)C(=O)CCC44CC34CCC12C,"InChI=1S/C29H46O/c1-19(2)8-7-9-20(3)22-12-14-27(6)25-11-10-23-21(4)24(30)13-15-28(23)18-29(25,28)17-16-26(22,27)5/h19,21-23,25H,3,7-18H2,1-2,4-6H3",CFOXQEZGDCZKBP,UHFFFAOYSA,N,"(4alpha,5alpha)-4,14-Dimethyl-9,19-cyclocholest-20-en-3-one",CFOXQEZGDCZKBP-UHFFFAOYSA-N
HMDB33811,1048.509038866,C50H80O23,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-39(62)36(59)41(29(15-52)68-45)70-46-40(63)37(60)42(30(16-53)69-46)71-47-43(35(58)34(57)28(14-51)67-47)72-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3",WJBORTPOEMQYQL,UHFFFAOYSA,N,Agavasaponin C',WJBORTPOEMQYQL-UHFFFAOYSA-N
HMDB33812,138.031694058,C7H6O3,OC1=CC2=C(OCO2)C=C1,"InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2",LUSZGTFNYDARNI,UHFFFAOYSA,N,Sesamol,LUSZGTFNYDARNI-UHFFFAOYSA-N
HMDB33813,176.047344122,C10H8O3,O=C\C=C/C1=CC2=C(OCO2)C=C1,"InChI=1S/C10H8O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-6H,7H2/b2-1-",HZUFMSJUNLSDSZ,UPHRSURJSA,N,"3-(3,4-Methylenedioxyphenyl)propenal",HZUFMSJUNLSDSZ-UPHRSURJSA-N
HMDB33814,1194.566947674,C56H90O27,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C56H90O27/c1-20-8-11-56(73-18-20)21(2)34-29(83-56)13-27-25-7-6-23-12-24(9-10-54(23,4)26(25)14-33(61)55(27,34)5)75-51-43(70)39(66)45(31(16-58)77-51)79-52-44(71)40(67)46(32(17-59)78-52)80-53-48(82-49-41(68)36(63)28(60)19-72-49)47(37(64)30(15-57)76-53)81-50-42(69)38(65)35(62)22(3)74-50/h20-32,34-53,57-60,62-71H,6-19H2,1-5H3",OONXKIRGWVQZDH,UHFFFAOYSA,N,Agavasaponin D,OONXKIRGWVQZDH-UHFFFAOYSA-N
HMDB33815,1062.52468893,C51H82O23,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)(COC2OC(CO)C(O)C(O)C2O)O1,"InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-46-40(63)37(60)34(57)29(17-53)69-46)41(64)42(30(18-54)70-47)71-45-39(62)35(58)32(55)21(2)66-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3",AAJHVVLGKCKBSH,UHFFFAOYSA,N,Avenacoside A,AAJHVVLGKCKBSH-UHFFFAOYSA-N
HMDB33816,194.07903818,C7H14O6,C[C@@]1(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-7(13)5(11)3(9)2(8)4(10)6(7)12/h2-6,8-13H,1H3/t2-,3-,4+,5+,6-,7-",AJGYLNFUYLRZFR,VQPJZGIOSA,N,Mytilitol,AJGYLNFUYLRZFR-VQPJZGIOSA-N
HMDB33817,330.110338308,C18H18O6,COC1=CC2=C(C=C1)C1COC3=C(O)C(OC)=C(OC)C=C3C1O2,"InChI=1S/C18H18O6/c1-20-9-4-5-10-12-8-23-17-11(16(12)24-13(10)6-9)7-14(21-2)18(22-3)15(17)19/h4-7,12,16,19H,8H2,1-3H3",APDOGYRSSCEXNB,UHFFFAOYSA,N,"4-Hydroxy-2,3,9-trimethoxypterocarpan",APDOGYRSSCEXNB-UHFFFAOYSA-N
HMDB33818,460.100561482,C22H20O11,OCC1OC(OC2=CC=C(C=C2)C2=COC3=CC4=C(OCO4)C(O)=C3C2=O)C(O)C(O)C1O,"InChI=1S/C22H20O11/c23-6-14-17(25)19(27)20(28)22(33-14)32-10-3-1-9(2-4-10)11-7-29-12-5-13-21(31-8-30-13)18(26)15(12)16(11)24/h1-5,7,14,17,19-20,22-23,25-28H,6,8H2",SWSLNGRJTHYWLO,UHFFFAOYSA,N,Irilone 4'-glucoside,SWSLNGRJTHYWLO-UHFFFAOYSA-N
HMDB33819,360.084517488,C18H16O8,COC1=C(O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O1)C=C(O)C(OC)=C2O,"InChI=1S/C18H16O8/c1-23-11-6-8(4-5-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3",XUWTZJRCCPNNJR,UHFFFAOYSA,N,Jaceidin,XUWTZJRCCPNNJR-UHFFFAOYSA-N
HMDB33820,298.047738052,C16H10O6,OC1=CC=C(C=C1)C1=COC2=CC3=C(OCO3)C(O)=C2C1=O,"InChI=1S/C16H10O6/c17-9-3-1-8(2-4-9)10-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(10)18/h1-6,17,19H,7H2",NUGRQNBDTZWXTP,UHFFFAOYSA,N,Irilone,NUGRQNBDTZWXTP-UHFFFAOYSA-N
HMDB33821,164.068473494,C6H12O5,COC1C(O)OC(CO)C1O,"InChI=1S/C6H12O5/c1-10-5-4(8)3(2-7)11-6(5)9/h3-9H,2H2,1H3",STGXGJRRAJKJRG,UHFFFAOYSA,N,2-O-Methyl-D-xylose,STGXGJRRAJKJRG-UHFFFAOYSA-N
HMDB33822,249.979964158,C9H8Cl2O4,COC1=C(Cl)C(O)=C(Cl)C(C)=C1C(O)=O,"InChI=1S/C9H8Cl2O4/c1-3-4(9(13)14)8(15-2)6(11)7(12)5(3)10/h12H,1-2H3,(H,13,14)",OWBYFBKXWVZEQW,UHFFFAOYSA,N,"3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid",OWBYFBKXWVZEQW-UHFFFAOYSA-N
HMDB33823,438.386166222,C31H50O,C\C=C(/CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)\C(=C/C)C1CC3)C(C)C,"InChI=1S/C31H50O/c1-8-22(20(3)4)11-10-21(5)25-14-15-27-24-12-13-26-23(9-2)29(32)17-19-31(26,7)28(24)16-18-30(25,27)6/h8-9,20-21,25-27,29,32H,10-19H2,1-7H3/b22-8+,23-9-",RFLUDKCXYRKJII,ZNJYIYMRSA,N,Coffeasterene,RFLUDKCXYRKJII-ZNJYIYMRSA-N
HMDB33824,610.153384912,C27H30O16,OCC1OC(OC2=C(C3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O16/c28-6-15-19(33)22(36)24(38)26(41-15)18-14(42-27-25(39)23(37)20(34)16(7-29)43-27)5-13-17(21(18)35)11(32)4-12(40-13)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2",OQKYVRDRDIXQMK,UHFFFAOYSA,N,Isoorientin 7-glucoside,OQKYVRDRDIXQMK-UHFFFAOYSA-N
HMDB33825,410.354866094,C29H46O,CCC(\C=C/C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,19-21,23,25-27,30H,7,12-18H2,1-6H3/b9-8-",OQMZNAMGEHIHNN,HJWRWDBZSA,N,Corbisterol,OQMZNAMGEHIHNN-HJWRWDBZSA-N
HMDB33826,220.18271539,C15H24O,CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3",NLZUEZXRPGMBCV,UHFFFAOYSA,N,"2,6-Di-tert-butyl-4-methylphenol",NLZUEZXRPGMBCV-UHFFFAOYSA-N
HMDB33827,112.088815006,C7H12O,CCCC\C=C\C=O,"InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+",NDFKTBCGKNOHPJ,AATRIKPKSA,N,(2E)-2-Heptenal,NDFKTBCGKNOHPJ-AATRIKPKSA-N
HMDB33828,552.293447628,C29H44O10,CC1OC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O,"InChI=1S/C29H44O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,15,17-20,22-25,30,32-36H,3-10,12-14H2,1-2H3",UQEKVLJMBGSQGS,UHFFFAOYSA,N,Desglucocheirotoxol,UQEKVLJMBGSQGS-UHFFFAOYSA-N
HMDB33829,428.401816286,C30H52O,CCC(CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C30H52O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h11,19-22,24-28,31H,8-10,12-18H2,1-7H3",IYIFZADLIMVECH,UHFFFAOYSA,N,24-Ethyllophenol,IYIFZADLIMVECH-UHFFFAOYSA-N
HMDB33830,162.068079564,C10H10O2,COC1=CC=CC=C1\C=C\C=O,"InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+",KKVZAVRSVHUSPL,GQCTYLIASA,N,Cassiastearoptene,KKVZAVRSVHUSPL-GQCTYLIASA-N
HMDB33831,296.032087988,C16H8O6,OC1=CC2=C(C=C1)C1=C(C3=CC4=C(OCO4)C=C3O1)C(=O)O2,"InChI=1S/C16H8O6/c17-7-1-2-8-10(3-7)22-16(18)14-9-4-12-13(20-6-19-12)5-11(9)21-15(8)14/h1-5,17H,6H2",URMVEUAWRUQHON,UHFFFAOYSA,N,Medicagol,URMVEUAWRUQHON-UHFFFAOYSA-N
HMDB33832,264.115029756,C18H16O2,O=C(OC\C=C\C1=CC=CC=C1)\C=C/C1=CC=CC=C1,"InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13-",NQBWNECTZUOWID,QSYVVUFSSA,N,Cinnamyl cinnamate,NQBWNECTZUOWID-QSYVVUFSSA-N
HMDB33833,162.068079564,C10H10O2,COC(=O)\C=C/C1=CC=CC=C1,"InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7-",CCRCUPLGCSFEDV,FPLPWBNLSA,N,Methyl cinnamate,CCRCUPLGCSFEDV-FPLPWBNLSA-N
HMDB33834,176.083729628,C11H12O2,CCOC(=O)\C=C/C1=CC=CC=C1,"InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-",KBEBGUQPQBELIU,HJWRWDBZSA,N,Ethyl cinnamate,KBEBGUQPQBELIU-HJWRWDBZSA-N
HMDB33835,212.068473494,C10H12O5,CCCOC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3",ZTHYODDOHIVTJV,UHFFFAOYSA,N,Propyl gallate,ZTHYODDOHIVTJV-UHFFFAOYSA-N
HMDB33836,198.052823422,C9H10O5,CCOC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3",VFPFQHQNJCMNBZ,UHFFFAOYSA,N,Ethyl gallate,VFPFQHQNJCMNBZ-UHFFFAOYSA-N
HMDB33837,146.057908808,C6H10O4,COC(=O)CCC(=O)OC,"InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3",MUXOBHXGJLMRAB,UHFFFAOYSA,N,Dimethyl succinate,MUXOBHXGJLMRAB-UHFFFAOYSA-N
HMDB33838,174.089208936,C8H14O4,CCOC(=O)CCC(=O)OCC,"InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3",DKMROQRQHGEIOW,UHFFFAOYSA,N,Diethyl succinate,DKMROQRQHGEIOW-UHFFFAOYSA-N
HMDB33839,212.068473494,C10H12O5,COC1=CC(=CC(OC)=C1OC)C(O)=O,"InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)",SJSOFNCYXJUNBT,UHFFFAOYSA,N,Eudesmic acid,SJSOFNCYXJUNBT-UHFFFAOYSA-N
HMDB33840,100.0524295,C5H8O2,CC1CCC(=O)O1,"InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3",GAEKPEKOJKCEMS,UHFFFAOYSA,N,Dihydro-5-methyl-2(3H)-furanone,GAEKPEKOJKCEMS-UHFFFAOYSA-N
HMDB33841,374.100167552,C19H18O8,CC1=C(OC(=O)CCC(O)=O)C2=CC=CC=C2C(OC(=O)CCC(O)=O)=C1,"InChI=1S/C19H18O8/c1-11-10-14(26-17(24)8-6-15(20)21)12-4-2-3-5-13(12)19(11)27-18(25)9-7-16(22)23/h2-5,10H,6-9H2,1H3,(H,20,21)(H,22,23)",PNRCOYPXSMNURF,UHFFFAOYSA,N,Menadiol disuccinate,PNRCOYPXSMNURF-UHFFFAOYSA-N
HMDB33842,226.047738052,C10H10O6,COC1=C(OC)C(C(O)=O)=C(C=C1)C(O)=O,"InChI=1S/C10H10O6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)",QSWJYWSRUJSAFH,UHFFFAOYSA,N,"3,4-Dimethoxy-1,2-benzenedicarboxylic acid",QSWJYWSRUJSAFH-UHFFFAOYSA-N
HMDB33843,177.047237067,C6H13NOP2,PCC(P)N1CCCC1=O,"InChI=1S/C6H13NOP2/c8-5-2-1-3-7(5)6(10)4-9/h6H,1-4,9-10H2",LQIAZOCLNBBZQK,UHFFFAOYSA,N,Polyvidone,LQIAZOCLNBBZQK-UHFFFAOYSA-N
HMDB33844,552.433116414,C40H56O,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+",DMASLKHVQRHNES,QQGJMDNJSA,N,beta-Cryptoxanthin,DMASLKHVQRHNES-QQGJMDNJSA-N
HMDB33845,192.02450019,C10H8O2S,CC1=CC=C(S1)\C=C1\OC(=O)C=C1,"InChI=1S/C10H8O2S/c1-7-2-4-9(13-7)6-8-3-5-10(11)12-8/h2-6H,1H3/b8-6+",YBBZWBTVSIDANF,SOFGYWHQSA,N,(Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone,YBBZWBTVSIDANF-SOFGYWHQSA-N
HMDB33846,534.282882942,C29H42O9,CC1OC(CC(O)C1O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1,"InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3",QBILRDAMJUPXCX,UHFFFAOYSA,N,Corchoroside A,QBILRDAMJUPXCX-UHFFFAOYSA-N
HMDB33847,1048.545424372,C51H84O22,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C51H84O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-47-41(62)38(59)35(56)30(17-53)69-47)42(63)43(71-46-40(61)36(57)33(54)22(3)66-46)31(70-48)19-64-45-39(60)37(58)34(55)29(16-52)68-45/h20-48,52-63H,6-19H2,1-5H3",DLUTTXMPJCVUFR,UHFFFAOYSA,N,Parillin,DLUTTXMPJCVUFR-UHFFFAOYSA-N
HMDB33848,186.161979948,C11H22O2,CCCCCCCCCC(=O)OC,"InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3",YRHYCMZPEVDGFQ,UHFFFAOYSA,N,Methyl decanoate,YRHYCMZPEVDGFQ-UHFFFAOYSA-N
HMDB33849,902.487515564,C45H74O18,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h19-42,46-55H,5-18H2,1-4H3",JNTJNUDLVQQYGM,UHFFFAOYSA,N,Yuccoside C,JNTJNUDLVQQYGM-UHFFFAOYSA-N
HMDB33850,450.116211546,C21H22O11,C[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1",ZROGCCBNZBKLEL,MPRHSVQHSA,N,Astilbin,ZROGCCBNZBKLEL-MPRHSVQHSA-N
HMDB33851,132.07864425,C6H12O3,COC(CC(C)=O)OC,"InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3",PJCCSZUMZMCWSX,UHFFFAOYSA,N,"4,4-Dimethoxy-2-butanone",PJCCSZUMZMCWSX-UHFFFAOYSA-N
HMDB33852,307.120843415,C19H17NO3,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(C)=C)C=C2O,"InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14(21)17-18(12)20(3)13-7-5-4-6-11(13)19(17)22/h4-7,9,15,21H,1,8H2,2-3H3",FHAGACMCMQYSNX,UHFFFAOYSA,N,Rutacridone,FHAGACMCMQYSNX-UHFFFAOYSA-N
HMDB33853,323.115758037,C19H17NO4,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C1(C)CO1)C=C2O,"InChI=1S/C19H17NO4/c1-19(9-23-19)15-7-11-14(24-15)8-13(21)16-17(11)20(2)12-6-4-3-5-10(12)18(16)22/h3-6,8,15,21H,7,9H2,1-2H3",YXQGLAPCZDYVLL,UHFFFAOYSA,N,Rutacridone epoxide,YXQGLAPCZDYVLL-UHFFFAOYSA-N
HMDB33854,86.073164942,C5H10O,CC(C)(O)C=C,"InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3",HNVRRHSXBLFLIG,UHFFFAOYSA,N,Isoprenyl alcohol,HNVRRHSXBLFLIG-UHFFFAOYSA-N
HMDB33855,432.142032366,C22H24O9,COC1=CC2=C(C=C1)C1COC3=C(C=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C1O2,"InChI=1S/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3",PVEMGMOWXQUWRD,UHFFFAOYSA,N,Medicocarpin,PVEMGMOWXQUWRD-UHFFFAOYSA-N
HMDB33856,118.045235632,C5H10OS,CCCSC(C)=O,"InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3",SBWFWBJCYMBZEY,UHFFFAOYSA,N,S-Propyl thioacetate,SBWFWBJCYMBZEY-UHFFFAOYSA-N
HMDB33857,138.10446507,C9H14O,CC\C=C/CC\C=C\C=O,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+",HZYHMHHBBBSGHB,ODYTWBPASA,N,Violet-leaf aldehyde,HZYHMHHBBBSGHB-ODYTWBPASA-N
HMDB33858,72.057514878,C4H8O,C\C=C/CO,"InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2-",WCASXYBKJHWFMY,IHWYPQMZSA,N,2-Buten-1-ol,WCASXYBKJHWFMY-IHWYPQMZSA-N
HMDB33859,298.047738052,C16H10O6,OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=C(O)C2=C(OCO2)C=C1,"InChI=1S/C16H10O6/c17-8-1-2-10-13(5-8)20-6-11(14(10)18)9-3-4-12-16(15(9)19)22-7-21-12/h1-6,17,19H,7H2",GRMSSCUVELGNHC,UHFFFAOYSA,N,Glyzaglabrin,GRMSSCUVELGNHC-UHFFFAOYSA-N
HMDB33860,270.05282343,C15H10O5,OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2O)C1=O,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H",BMZFZTMWBCFKSS,UHFFFAOYSA,N,8-Hydroxydaidzein,BMZFZTMWBCFKSS-UHFFFAOYSA-N
HMDB33861,300.099773622,C17H16O5,COC1=CC2=C(C=C1)C1COC3=CC(O)=C(OC)C=C3C1O2,"InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-14-7-13(18)16(20-2)6-11(14)17(12)22-15(10)5-9/h3-7,12,17-18H,8H2,1-2H3",YVBGQNQUTOVRER,UHFFFAOYSA,N,"3-Hydroxy-2,9-dimethoxypterocarpan",YVBGQNQUTOVRER-UHFFFAOYSA-N
HMDB33862,298.229665582,C21H30O,OC1=CC=CC(CCCCCCC\C=C\C\C=C\CC=C)=C1,"InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4+,8-7+",JOLVYUIAMRUBRK,AOSYACOCSA,N,"3-(8,11,14-Pentadecatrienyl)phenol",JOLVYUIAMRUBRK-AOSYACOCSA-N
HMDB33864,494.136553058,C30H22O7,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC(C)=C2)C(=O)C2=C1C=C(O)C=C2O,"InChI=1S/C30H22O7/c1-12-6-16-23(15-4-3-5-19(32)25(15)29(36)26(16)20(33)8-12)24-17-7-13(2)9-21(34)27(17)30(37)28-18(24)10-14(31)11-22(28)35/h3-11,23-24,31-35H,1-2H3",VUUFXTUVVIEIMH,UHFFFAOYSA,N,Palmidin C,VUUFXTUVVIEIMH-UHFFFAOYSA-N
HMDB33865,261.121237345,C11H19NO6,CCC(C)(OC1OC(CO)C(O)C(O)C1O)C#N,"InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3",WEWBWVMTOYUPHH,UHFFFAOYSA,N,Lotaustralin,WEWBWVMTOYUPHH-UHFFFAOYSA-N
HMDB33866,304.094688244,C16H16O6,COC1=CC(OC)=C2C(O)=C3C(=O)CC(C)(O)OC3=CC2=C1,"InChI=1S/C16H16O6/c1-16(19)7-10(17)14-12(22-16)5-8-4-9(20-2)6-11(21-3)13(8)15(14)18/h4-6,18-19H,7H2,1-3H3",ZYTKFYQKQVYVMW,UHFFFAOYSA,N,Fonsecin B,ZYTKFYQKQVYVMW-UHFFFAOYSA-N
HMDB33867,113.029919919,C5H7NS,C=CCCN=C=S,"InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2",SKIHGKNFJKJXPX,UHFFFAOYSA,N,4-Isothiocyanato-1-butene,SKIHGKNFJKJXPX-UHFFFAOYSA-N
HMDB33868,181.110278729,C10H15NO2,CNCC(OC)C1=CC=C(O)C=C1,"InChI=1S/C10H15NO2/c1-11-7-10(13-2)8-3-5-9(12)6-4-8/h3-6,10-12H,7H2,1-2H3",LVZUJPSBCGHXGZ,UHFFFAOYSA,N,beta-O-Methylynephrine,LVZUJPSBCGHXGZ-UHFFFAOYSA-N
HMDB33869,412.370516158,C29H48O,CC(C)C(\C)=C\CC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C,"InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h8,10,18,20-21,23-27,30H,9,11-17H2,1-7H3/b19-8+",CTWRZEHGRSDRPG,UFWORHAWSA,N,"(3beta,4alpha,5alpha,23E)-4-Methylergosta-7,23-dien-3-ol",CTWRZEHGRSDRPG-UFWORHAWSA-N
HMDB33870,87.068413915,C4H9NO,CCCC(N)=O,"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)",DNSISZSEWVHGLH,UHFFFAOYSA,N,Butyramide,DNSISZSEWVHGLH-UHFFFAOYSA-N
HMDB33871,107.073499293,C7H9N,NCC1=CC=CC=C1,"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2",WGQKYBSKWIADBV,UHFFFAOYSA,N,Benzylamine,WGQKYBSKWIADBV-UHFFFAOYSA-N
HMDB33872,304.276615774,C21H36O,CCCCCCCCCCCCCCCC1=CC(O)=CC=C1,"InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3",PTFIPECGHSYQNR,UHFFFAOYSA,N,3-Pentadecylphenol,PTFIPECGHSYQNR-UHFFFAOYSA-N
HMDB33873,412.370516158,C29H48O,CCC(\C=C\C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+",JZVFJDZBLUFKCA,CMDGGOBGSA,N,alpha-Spinasterol,JZVFJDZBLUFKCA-CMDGGOBGSA-N
HMDB33874,287.152143543,C17H21NO3,O=C(\C=C\CCC1=CC2=C(OCO2)C=C1)N1CCCCC1,"InChI=1S/C17H21NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h3,7-9,12H,1-2,4-6,10-11,13H2/b7-3+",QHWOFMXDKFORMO,XVNBXDOJSA,N,Piperanine,QHWOFMXDKFORMO-XVNBXDOJSA-N
HMDB33875,86.019020882,C4H6S,C1CC=CS1,"InChI=1S/C4H6S/c1-2-4-5-3-1/h1,3H,2,4H2",OXBLVCZKDOZZOJ,UHFFFAOYSA,N,"2,3-Dihydrothiophene",OXBLVCZKDOZZOJ-UHFFFAOYSA-N
HMDB33876,386.100167552,C20H18O8,COC1=C(O)C=CC(=C1)C1OC(=O)C2C(OC(=O)C12)C1=CC(OC)=C(O)C=C1,"InChI=1S/C20H18O8/c1-25-13-7-9(3-5-11(13)21)17-15-16(20(24)27-17)18(28-19(15)23)10-4-6-12(22)14(8-10)26-2/h3-8,15-18,21-22H,1-2H3",DNJFYRXUTBVKIJ,UHFFFAOYSA,N,Dehydrodiferulic dilactone,DNJFYRXUTBVKIJ-UHFFFAOYSA-N
HMDB33877,354.110338308,C20H18O6,COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(O)=C(O)C=C2)=CC=C1O,"InChI=1S/C20H18O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h2-11,23-25H,12H2,1H3/b6-2+,7-3+",FFRFJIZJLZXEJX,YPCIICBESA,N,"1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione",FFRFJIZJLZXEJX-YPCIICBESA-N
HMDB33878,228.115029756,C15H16O2,CC1CCC2=C(C3=C(OC=C3C)C=C2C)C1=O,"InChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-12-13(10(3)7-17-12)14(11)15(8)16/h6-8H,4-5H2,1-3H3",YBJIFGYQRRWWFW,UHFFFAOYSA,N,(S)-Curzeone,YBJIFGYQRRWWFW-UHFFFAOYSA-N
HMDB33879,356.162373878,C21H24O5,CCCC1=CC(=O)OC2=C3C=CC(C)(C)OC3=C(C(=O)C(C)C)C(O)=C12,"InChI=1S/C21H24O5/c1-6-7-12-10-14(22)25-19-13-8-9-21(4,5)26-20(13)16(17(23)11(2)3)18(24)15(12)19/h8-11,24H,6-7H2,1-5H3",QPGVMBKJECZCKK,UHFFFAOYSA,N,Mammea B/AD cyclo D,QPGVMBKJECZCKK-UHFFFAOYSA-N
HMDB33880,356.162373878,C21H24O5,CCCC(=O)C1=C2OC(C)(C)C=CC2=C2OC(=O)C=C(CCC)C2=C1O,"InChI=1S/C21H24O5/c1-5-7-12-11-15(23)25-19-13-9-10-21(3,4)26-20(13)17(14(22)8-6-2)18(24)16(12)19/h9-11,24H,5-8H2,1-4H3",SMRSMFDNXPPPCA,UHFFFAOYSA,N,Mammea B/AC cyclo D,SMRSMFDNXPPPCA-UHFFFAOYSA-N
HMDB33881,398.20932407,C24H30O5,CCCCCC1=CC(=O)OC2=C3C=CC(C)(C)OC3=C(C(=O)C(C)CC)C(O)=C12,"InChI=1S/C24H30O5/c1-6-8-9-10-15-13-17(25)28-22-16-11-12-24(4,5)29-23(16)19(21(27)18(15)22)20(26)14(3)7-2/h11-14,27H,6-10H2,1-5H3",YBYLFVYSBOCFRD,UHFFFAOYSA,N,Mammea C/AB cyclo D,YBYLFVYSBOCFRD-UHFFFAOYSA-N
HMDB33882,366.110338308,C21H18O6,COC1=C(CC=C(C)C)C(O)=CC2=C1C1=C(C3=C(O1)C=C(O)C=C3)C(=O)O2,"InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3",LWESBHWAOZORCQ,UHFFFAOYSA,N,Glycyrol,LWESBHWAOZORCQ-UHFFFAOYSA-N
HMDB33883,380.125988372,C22H20O6,COC1=CC2=C(C3=C(C4=C(O3)C=C(O)C=C4)C(=O)O2)C(OC)=C1CC=C(C)C,"InChI=1S/C22H20O6/c1-11(2)5-7-14-15(25-3)10-17-19(20(14)26-4)21-18(22(24)28-17)13-8-6-12(23)9-16(13)27-21/h5-6,8-10,23H,7H2,1-4H3",ACDSUMGMZHXCRO,UHFFFAOYSA,N,3-O-Methylglycyrol,ACDSUMGMZHXCRO-UHFFFAOYSA-N
HMDB33884,280.094688244,C14H16O6,CC(C)(O)C1CC2=C(O)C(O)=CC(\C=C/C(O)=O)=C2O1,"InChI=1S/C14H16O6/c1-14(2,19)10-6-8-12(18)9(15)5-7(13(8)20-10)3-4-11(16)17/h3-5,10,15,18-19H,6H2,1-2H3,(H,16,17)/b4-3-",DABSIZUNYJTFDJ,ARJAWSKDSA,N,Gravolenic acid,DABSIZUNYJTFDJ-ARJAWSKDSA-N
HMDB33885,412.370516158,C29H48O,CC[C@H](C(C)C)\C=C\[C@@H](C)[C@H]1CCC2C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,23+,25-,26?,27?,28+,29-/m1/s1",JZVFJDZBLUFKCA,YWVVXJOTSA,N,Chondrillasterol,JZVFJDZBLUFKCA-YWVVXJOTSA-N
HMDB33886,736.476163018,C41H68O11,CCC(\C=C\C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(C)C,"InChI=1S/C41H68O11/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-18-25(14-16-40(24,5)29(26)15-17-41(27,28)6)49-38-36(48)34(46)37(31(20-43)51-38)52-39-35(47)33(45)32(44)30(19-42)50-39/h8-9,11,21-25,27-39,42-48H,7,10,12-20H2,1-6H3/b9-8+",TZCNBGOTFQYFAL,CMDGGOBGSA,N,Chondrillasterol 3-[glucosyl-(1->4)-glucoside],TZCNBGOTFQYFAL-CMDGGOBGSA-N
HMDB33887,898.528986448,C47H78O16,CCC(\C=C\C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)C,"InChI=1S/C47H78O16/c1-7-24(22(2)3)9-8-23(4)28-12-13-29-27-11-10-25-18-26(14-16-46(25,5)30(27)15-17-47(28,29)6)58-44-41(38(55)35(52)32(20-49)60-44)63-45-42(39(56)36(53)33(21-50)61-45)62-43-40(57)37(54)34(51)31(19-48)59-43/h8-9,11,22-26,28-45,48-57H,7,10,12-21H2,1-6H3/b9-8+",GKJMLOMZBLJNRX,CMDGGOBGSA,N,Chondrillasterol 3-[glucosyl-(1->2)-glucosyl-(1->2)-glucoside],GKJMLOMZBLJNRX-CMDGGOBGSA-N
HMDB33888,338.3912516,C24H50,CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C24H50/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(3)5-2/h24H,4-23H2,1-3H3",WCAGWYVPTZQWEN,UHFFFAOYSA,N,3-Methyltricosane,WCAGWYVPTZQWEN-UHFFFAOYSA-N
HMDB33889,116.083729628,C6H12O2,CCCC(=O)OCC,"InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3",OBNCKNCVKJNDBV,UHFFFAOYSA,N,Ethyl butyrate,OBNCKNCVKJNDBV-UHFFFAOYSA-N
HMDB33890,102.068079564,C5H10O2,CCCC(=O)OC,"InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3",UUIQMZJEGPQKFD,UHFFFAOYSA,N,Methyl butyrate,UUIQMZJEGPQKFD-UHFFFAOYSA-N
HMDB33891,204.11100701,C8H16N2O4,CC(=O)NCC(O)CCC(N)C(O)=O,"InChI=1S/C8H16N2O4/c1-5(11)10-4-6(12)2-3-7(9)8(13)14/h6-7,12H,2-4,9H2,1H3,(H,10,11)(H,13,14)",FVTTTYGNCVTXEI,UHFFFAOYSA,N,N6-Acetyl-5S-hydroxy-L-lysine,FVTTTYGNCVTXEI-UHFFFAOYSA-N
HMDB33892,318.073952802,C16H14O7,COC(=O)C(C(=O)OC)C1=C(OC2=CC=CC(O)=C2C1=O)C=C,"InChI=1S/C16H14O7/c1-4-9-12(13(15(19)21-2)16(20)22-3)14(18)11-8(17)6-5-7-10(11)23-9/h4-7,13,17H,1H2,2-3H3",CJFIRBOMWZKLHJ,UHFFFAOYSA,N,Mycochromone,CJFIRBOMWZKLHJ-UHFFFAOYSA-N
HMDB33893,226.047738052,C10H10O6,COC1=C(OC)C=C(C(O)=O)C(=C1)C(O)=O,"InChI=1S/C10H10O6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)",SKBDLRWFSRLIPP,UHFFFAOYSA,N,"4,5-Dimethoxy-1,2-benzenedicarboxylic acid",SKBDLRWFSRLIPP-UHFFFAOYSA-N
HMDB33894,506.10604079,C23H22O13,COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1,"InChI=1S/C23H22O13/c1-32-14-3-8(4-15(33-2)17(14)26)12-7-11(25)16-10(24)5-9(6-13(16)35-12)34-23-20(29)18(27)19(28)21(36-23)22(30)31/h3-7,18-21,23-24,26-29H,1-2H3,(H,30,31)",HJWFFBNADKDQPV,UHFFFAOYSA,N,Tricin 7-glucuronoside,HJWFFBNADKDQPV-UHFFFAOYSA-N
HMDB33895,108.057514878,C7H8O,COC1=CC=CC=C1,"InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",RDOXTESZEPMUJZ,UHFFFAOYSA,N,Anisole,RDOXTESZEPMUJZ-UHFFFAOYSA-N
HMDB33896,344.23514489,C22H32O3,CCC\C=C/C\C=C/CCCCCCCC1=C(C(O)=O)C(O)=CC=C1,"InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h4-5,7-8,15,17-18,23H,2-3,6,9-14,16H2,1H3,(H,24,25)/b5-4-,8-7-",KAOMOVYHGLSFHQ,UTOQUPLUSA,N,Anacardic acid,KAOMOVYHGLSFHQ-UTOQUPLUSA-N
HMDB33897,346.250794954,C22H34O3,CCCCCC\C=C\CCCCCCCC1=C(C(O)=O)C(O)=CC=C1,"InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7+",YXHVCZZLWZYHSA,BQYQJAHWSA,N,Ginkgoic acid,YXHVCZZLWZYHSA-BQYQJAHWSA-N
HMDB33898,910.216773028,C43H42O22,OCC1OC(C(O)C(O)C1O)C1(O)C(O)=C(\C=C2/C(=O)C(C(=O)\C=C\C3=CC=C(O)C=C3)=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C2=O)C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O,"InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13+",WLYGSPLCNKYESI,CAMZRRETSA,N,Carthamin,WLYGSPLCNKYESI-CAMZRRETSA-N
HMDB33899,472.282489012,C28H40O6,CC1CC(OC(=O)C1C)C(C)(O)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3",MLMDWCVFKUVZGH,UHFFFAOYSA,N,Ixocarpanolide,MLMDWCVFKUVZGH-UHFFFAOYSA-N
HMDB33900,384.10564686,C17H20O10,COC1=C(OC)C(OC2OC(CO)C(O)C(O)C2O)=C2C=CC(=O)OC2=C1,"InChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(16(9)24-2)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3",DHNNEMKGTXETQO,UHFFFAOYSA,N,Tomenin,DHNNEMKGTXETQO-UHFFFAOYSA-N
HMDB33901,338.115423686,C20H18O5,CC1(C)OC2=C(C=C1)C1=C(C=C2)C2OC3=C(C=CC(O)=C3)C2(O)CO1,"InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3",YIFYYPKWOQSCRI,UHFFFAOYSA,N,Glyceollin I,YIFYYPKWOQSCRI-UHFFFAOYSA-N
HMDB33902,104.065971074,C5H12S,CC(C)CCS,"InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",GIJGXNFNUUFEGH,UHFFFAOYSA,N,Isopentyl mercaptan,GIJGXNFNUUFEGH-UHFFFAOYSA-N
HMDB33903,151.063328537,C8H9NO2,O=C1NC(=O)C2CC=CCC12,"InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)",CIFFBTOJCKSRJY,UHFFFAOYSA,N,"3alpha,4,7,7alpha-Tetrahydro-1H-isoindole-1,3(2H)-dione",CIFFBTOJCKSRJY-UHFFFAOYSA-N
HMDB33904,256.073558872,C15H12O4,CC#CC#C\C=C1\OC2(OC=CC2OC(C)=O)C=C1,"InChI=1S/C15H12O4/c1-3-4-5-6-7-13-8-10-15(19-13)14(9-11-17-15)18-12(2)16/h7-11,14H,1-2H3/b13-7+",XQVRVLVORPSYNU,NTUHNPAUSA,N,7E-Mycosinyl acetate,XQVRVLVORPSYNU-NTUHNPAUSA-N
HMDB33905,362.136553058,C19H22O7,COC1=C(O)C2=C(CCC(O2)C2=CC(OC)=C(OC)C(OC)=C2O)C=C1,"InChI=1S/C19H22O7/c1-22-13-8-6-10-5-7-12(26-17(10)16(13)21)11-9-14(23-2)18(24-3)19(25-4)15(11)20/h6,8-9,12,20-21H,5,7H2,1-4H3",XVWADHIDSZCAFC,UHFFFAOYSA,N,"2',8-Dihydroxy-3',4',5',7-tetramethoxyflavan",XVWADHIDSZCAFC-UHFFFAOYSA-N
HMDB33906,376.152203122,C20H24O7,COC1=C(OC)C2=C(CCC(O2)C2=CC(OC)=C(OC)C(OC)=C2O)C=C1,"InChI=1S/C20H24O7/c1-22-14-9-7-11-6-8-13(27-17(11)18(14)24-3)12-10-15(23-2)19(25-4)20(26-5)16(12)21/h7,9-10,13,21H,6,8H2,1-5H3",WULREJCBPYVGCY,UHFFFAOYSA,N,"2'-Hydroxy-3',4',5',7,8-pentamethoxyflavan",WULREJCBPYVGCY-UHFFFAOYSA-N
HMDB33907,492.345089268,C29H48O6,C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C29H48O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h7,15-16,18-26,30-33H,8-14H2,1-6H3/b17-7+",LRRBQWHWKJDDAW,REZTVBANSA,N,Homodolicholide,LRRBQWHWKJDDAW-REZTVBANSA-N
HMDB33908,116.120115134,C7H16O,CCCCCC(C)O,"InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3",CETWDUZRCINIHU,UHFFFAOYSA,N,(±)-2-Heptanol,CETWDUZRCINIHU-UHFFFAOYSA-N
HMDB33909,304.127051004,C12H20N2O7,OC(CCNC(CCN1CCC1C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)",CUZKLRTTYZOCSD,UHFFFAOYSA,N,2'-Deoxymugineic acid,CUZKLRTTYZOCSD-UHFFFAOYSA-N
HMDB33910,120.057514878,C8H8O,CC(=O)C1=CC=CC=C1,"InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3",KWOLFJPFCHCOCG,UHFFFAOYSA,N,Acetophenone,KWOLFJPFCHCOCG-UHFFFAOYSA-N
HMDB33911,258.05282343,C14H10O5,CC1=CC(=O)C2=C(O)C3=C(O)C=C(O)C=C3C=C2O1,"InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,15,17-18H,1H3",RVRLLYKHCMHGKV,UHFFFAOYSA,N,"5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one",RVRLLYKHCMHGKV-UHFFFAOYSA-N
HMDB33912,148.038041764,C6H12S2,CCCSSCC=C,"InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3",FCSSPCOFDUKHPV,UHFFFAOYSA,N,2-Propenyl propyl disulfide,FCSSPCOFDUKHPV-UHFFFAOYSA-N
HMDB33913,404.110732238,C20H20O9,CC1=CC(=O)C2=C(O1)C=C1C=CC=C(OC3OC(CO)C(O)C(O)C3O)C1=C2O,"InChI=1S/C20H20O9/c1-8-5-10(22)15-12(27-8)6-9-3-2-4-11(14(9)17(15)24)28-20-19(26)18(25)16(23)13(7-21)29-20/h2-6,13,16,18-21,23-26H,7H2,1H3",SBVZTBIAKFTNIJ,UHFFFAOYSA,N,Cassiaside,SBVZTBIAKFTNIJ-UHFFFAOYSA-N
HMDB33914,246.089208936,C14H14O4,CC1(C)OC2=C(CC1O)C=C1C=CC(=O)OC1=C2,"InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3",BGXFQDFSVDZUIW,UHFFFAOYSA,N,Aegelinol,BGXFQDFSVDZUIW-UHFFFAOYSA-N
HMDB33915,312.063388116,C17H12O6,CC(=O)OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O,"InChI=1S/C17H12O6/c1-8(18)23-7-9-5-11-15(13(20)6-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-6,19-20H,7H2,1H3",FUECAILUKAJTBR,UHFFFAOYSA,N,Aloe emodin w-acetate,FUECAILUKAJTBR-UHFFFAOYSA-N
HMDB33916,144.151415262,C9H20O,CCCCCCCC(C)O,"InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3",NGDNVOAEIVQRFH,UHFFFAOYSA,N,2-Nonanol,NGDNVOAEIVQRFH-UHFFFAOYSA-N
HMDB33917,266.188194698,C16H26O3,COC1CC(C=CC1(C)O)C(C)CC(=O)C=C(C)C,"InChI=1S/C16H26O3/c1-11(2)8-14(17)9-12(3)13-6-7-16(4,18)15(10-13)19-5/h6-8,12-13,15,18H,9-10H2,1-5H3",OJBJKMUUDWTVQL,UHFFFAOYSA,N,"4-Hydroxy-3-methoxy-2,10-bisaboladien-9-one",OJBJKMUUDWTVQL-UHFFFAOYSA-N
HMDB33918,332.23514489,C21H32O3,CC(O)C1CC(O)C2C3CCC4=CC(=O)CCC4(C)C3CCC12C,"InChI=1S/C21H32O3/c1-12(22)17-11-18(24)19-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,12,15-19,22,24H,4-9,11H2,1-3H3",OVQSVMZESAVYPN,UHFFFAOYSA,N,"(15alpha,20R)-15,20-Dihydroxypregn-4-en-3-one",OVQSVMZESAVYPN-UHFFFAOYSA-N
HMDB33919,136.073558872,C5H12O4,OCCC(O)C(O)CO,"InChI=1S/C5H12O4/c6-2-1-4(8)5(9)3-7/h4-9H,1-3H2",ZDAWZDFBPUUDAY,UHFFFAOYSA,N,2-Deoxy-D-ribitol,ZDAWZDFBPUUDAY-UHFFFAOYSA-N
HMDB33920,610.304287086,C37H42N2O6,COC1=C(OC)C=C2C(CC3=CC(OC4=C(OC)C=C5CCN(C)C(CC6=CC=C(O)C=C6)C5=C4)=C(O)C=C3)N(C)CCC2=C1,"InChI=1S/C37H42N2O6/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3",XCUCMLUTCAKSOZ,UHFFFAOYSA,N,Liensinine,XCUCMLUTCAKSOZ-UHFFFAOYSA-N
HMDB33921,274.120509064,C16H18O4,COC1=C(OC)C2=C(C=C1)C=C(C(=O)O2)C(C)(C)C=C,"InChI=1S/C16H18O4/c1-6-16(2,3)11-9-10-7-8-12(18-4)14(19-5)13(10)20-15(11)17/h6-9H,1H2,2-5H3",YSFZHXKUZLVBRX,UHFFFAOYSA,N,"3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one",YSFZHXKUZLVBRX-UHFFFAOYSA-N
HMDB33922,86.019020882,C4H6S,C=CSC=C,"InChI=1S/C4H6S/c1-3-5-4-2/h3-4H,1-2H2",UIYCHXAGWOYNNA,UHFFFAOYSA,N,Divinyl sulfide,UIYCHXAGWOYNNA-UHFFFAOYSA-N
HMDB33923,131.094628665,C6H13NO2,CCC(C)C(N)C(O)=O,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)",AGPKZVBTJJNPAG,UHFFFAOYSA,N,(±)-erythro-Isoleucine,AGPKZVBTJJNPAG-UHFFFAOYSA-N
HMDB33924,316.094688244,C17H16O6,COC1=CC(O)=C2C(=O)C(COC2=C1)C1=C(OC)C=C(O)C=C1,"InChI=1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3",RYYWWFXWFMYKJM,UHFFFAOYSA,N,Cajanol,RYYWWFXWFMYKJM-UHFFFAOYSA-N
HMDB33925,226.062994186,C14H10O3,CC(=C)C1=CC2=C(O1)C=CC1=C2OC(=O)C=C1,"InChI=1S/C14H10O3/c1-8(2)12-7-10-11(16-12)5-3-9-4-6-13(15)17-14(9)10/h3-7H,1H2,2H3",FQCPXIJRWHRHIP,UHFFFAOYSA,N,Oroselone,FQCPXIJRWHRHIP-UHFFFAOYSA-N
HMDB33926,170.105527702,C8H14N2O2,CC(C)C1NC(=O)C(C)NC1=O,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)",ORLDMMKUTCCBSM,UHFFFAOYSA,N,"(3xi,6xi)-Cyclo(alanylvalyl)",ORLDMMKUTCCBSM-UHFFFAOYSA-N
HMDB33927,336.116880248,C12H20N2O9,OC(CN1CC(O)C1C(O)=O)C(NCCC(O)C(O)=O)C(O)=O,"InChI=1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)",QPIOQLJXMZWNFJ,UHFFFAOYSA,N,3-Hydroxymugineic acid,QPIOQLJXMZWNFJ-UHFFFAOYSA-N
HMDB33928,272.068473494,C15H12O5,OC1=CC(O)=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C15H12O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,16-18H,7H2",WBOWBLGZAXVREM,UHFFFAOYSA,N,(±)-2'-Hydroxydihydrodaidzein,WBOWBLGZAXVREM-UHFFFAOYSA-N
HMDB33929,570.152597052,C32H26O10,COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(OC)=C1)C1=C(OC)C2=C(C=C1OC)C=C1OC(C)=CC(=O)C1=C2O,"InChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-20(38-4)28(31(40-6)23(15)29(26)35)25-17-11-16(37-3)12-21(39-5)24(17)30(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3",QAHRSPAZSGMZMT,UHFFFAOYSA,N,Aurasperone A,QAHRSPAZSGMZMT-UHFFFAOYSA-N
HMDB33930,186.031694053,C11H6O3,[H]C1=C([H])C2=C(O1)C([H])=C([H])C1=C2OC(=O)C([H])=C1[H],InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,XDROKJSWHURZGO,UHFFFAOYSA,N,Angelicin,XDROKJSWHURZGO-UHFFFAOYSA-N
HMDB33931,258.089208936,C15H14O4,COC1=C2C=CC(=O)OC2=CC2=C1C=CC(C)(C)O2,"InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3",JSJIIHRNDMLJGK,UHFFFAOYSA,N,Xanthoxyletin,JSJIIHRNDMLJGK-UHFFFAOYSA-N
HMDB33932,376.13107375,C23H20O5,OC(=O)CCC\C=C/CC#CC#CC#CCOC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C23H20O5/c24-21-16-13-20(14-17-21)15-18-23(27)28-19-11-9-7-5-3-1-2-4-6-8-10-12-22(25)26/h4,6,13-18,24H,2,8,10,12,19H2,(H,25,26)/b6-4-,18-15+",UGVOYXYFLWZKOM,MJLPGFBBSA,N,Cinnatriacetin A,UGVOYXYFLWZKOM-MJLPGFBBSA-N
HMDB33933,184.18271539,C12H24O,CCCCCCCCCCCC=O,"InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3",HFJRKMMYBMWEAD,UHFFFAOYSA,N,Lauric aldehyde,HFJRKMMYBMWEAD-UHFFFAOYSA-N
HMDB33934,412.370516158,C29H48O,CC[C@H](CC[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24?,25?,26?,27?,28+,29-/m1/s1",RUVUHIUYGJBLGI,AXAJWWPKSA,N,beta-Sitostenone,RUVUHIUYGJBLGI-AXAJWWPKSA-N
HMDB33935,272.083729628,C19H12O2,OC1=CC2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=CC=C1,"InChI=1S/C19H12O2/c20-16-11-14-8-4-7-13-9-10-15(12-5-2-1-3-6-12)18(17(13)14)19(16)21/h1-11,20H",ACJJXELQAJQSLK,UHFFFAOYSA,N,Anigorufone,ACJJXELQAJQSLK-UHFFFAOYSA-N
HMDB33936,346.047738052,C20H10O6,OC1=CC=CC2=C1C(=O)C(=CC2=O)C1=CC(=O)C2=C(C(O)=CC=C2)C1=O,"InChI=1S/C20H10O6/c21-13-5-1-3-9-15(23)7-11(19(25)17(9)13)12-8-16(24)10-4-2-6-14(22)18(10)20(12)26/h1-8,21-22H",YSWLZVWSHJYBPI,UHFFFAOYSA,N,"3,3'-Bisjuglone",YSWLZVWSHJYBPI-UHFFFAOYSA-N
HMDB33937,566.121296924,C32H22O10,COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(=C2O1)C1=C(OC)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)26-14-24(38)31-22(36)12-21(35)29(32(31)42-26)19-9-16(5-8-25(19)40-2)27-13-23(37)30-20(34)10-17(33)11-28(30)41-27/h3-14,33-36H,1-2H3",HUOOMAOYXQFIDQ,UHFFFAOYSA,N,Isoginkgetin,HUOOMAOYXQFIDQ-UHFFFAOYSA-N
HMDB33938,474.07982604,C22H18O12,OC(=O)C(OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3-,8-4-",YDDGKXBLOXEEMN,VHOZIDCHSA,N,D-Chicoric acid,YDDGKXBLOXEEMN-VHOZIDCHSA-N
HMDB33939,311.136887409,C15H21NO6,CC(\C=C/C=C(\C)C1CNC(C1CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3-,8-4+",VZFRNCSOCOPNDB,VOGDQUTBSA,N,Domoic acid,VZFRNCSOCOPNDB-VOGDQUTBSA-N
HMDB33940,270.089208936,C16H14O4,COC1=CC2=C(C=C(O2)C2=C(OC)C=C(O)C=C2)C=C1,"InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3",YCDZKMJZSGRQML,UHFFFAOYSA,N,Vignafuran,YCDZKMJZSGRQML-UHFFFAOYSA-N
HMDB33941,260.177630012,C17H24O2,CCCCCCC\C=C/C(O)C#CC#CC(O)C=C,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-",QWCNQXNAFCBLLV,UVTDQMKNSA,N,Falcarindiol,QWCNQXNAFCBLLV-UVTDQMKNSA-N
HMDB33942,208.094688244,C8H16O6,CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OC)[C@H]1O,"InChI=1S/C8H16O6/c1-13-7-4(10)3(9)5(11)8(14-2)6(7)12/h3-12H,1-2H3/t3-,4-,5+,6+,7+,8-",MMCIFJWGSIWJLP,RRNBHUGPSA,N,Dambonitol,MMCIFJWGSIWJLP-RRNBHUGPSA-N
HMDB33943,502.256668192,C28H38O8,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4OC44CC5OC5C(=O)C4(C)C3CCC12C,"InChI=1S/C28H38O8/c1-13-10-18(35-22(30)14(13)2)25(5,31)28(33)9-8-26(32)16-11-19-27(36-19)12-17-20(34-17)21(29)24(27,4)15(16)6-7-23(26,28)3/h15-20,31-33H,6-12H2,1-5H3",FHBPSLRPQVOBMG,UHFFFAOYSA,N,Withaperuvin G,FHBPSLRPQVOBMG-UHFFFAOYSA-N
HMDB33944,122.073164942,C8H10O,OCCC1=CC=CC=C1,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",WRMNZCZEMHIOCP,UHFFFAOYSA,N,2-Phenylethanol,WRMNZCZEMHIOCP-UHFFFAOYSA-N
HMDB33945,164.083729628,C10H12O2,CC(=O)OCCC1=CC=CC=C1,"InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",MDHYEMXUFSJLGV,UHFFFAOYSA,N,2-Phenylethyl acetate,MDHYEMXUFSJLGV-UHFFFAOYSA-N
HMDB33946,226.099379692,C15H14O2,O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2",OSORMYZMWHVFOZ,UHFFFAOYSA,N,2-Phenylethyl benzoate,OSORMYZMWHVFOZ-UHFFFAOYSA-N
HMDB33947,136.063662888,C7H8N2O,NC(=O)C1=CC=CC=C1N,"InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)",PXBFMLJZNCDSMP,UHFFFAOYSA,N,2-Aminobenzamide,PXBFMLJZNCDSMP-UHFFFAOYSA-N
HMDB33948,315.147058165,C18H21NO4,COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5(C)=O,"InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",BDLSDHWCOJPHIE,UHFFFAOYSA,N,Codeine N-oxide,BDLSDHWCOJPHIE-UHFFFAOYSA-N
HMDB33949,576.438989652,C35H60O6,CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",NPJICTMALKLTFW,UHFFFAOYSA,N,beta-Sitosterol 3-O-beta-D-galactopyranoside,NPJICTMALKLTFW-UHFFFAOYSA-N
HMDB33950,296.141244506,C19H20O3,COC1=C(O)C=CC(=C1)C1OC2=C(C=C(\C=C\C)C=C2)C1C,"InChI=1S/C19H20O3/c1-4-5-13-6-9-17-15(10-13)12(2)19(22-17)14-7-8-16(20)18(11-14)21-3/h4-12,19-20H,1-3H3/b5-4+",FCFVMNGCSPIORZ,SNAWJCMRSA,N,Parakmerin A,FCFVMNGCSPIORZ-SNAWJCMRSA-N
HMDB33951,149.051049291,C5H11NO2S,CSCCC(N)C(O)=O,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",FFEARJCKVFRZRR,UHFFFAOYSA,N,Racemethionine,FFEARJCKVFRZRR-UHFFFAOYSA-N
HMDB33952,100.063662888,C4H8N2O,C\C=N/N(C)C=O,"InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3-",IMAGWKUTFZRWSB,HYXAFXHYSA,N,Gyromitrin,IMAGWKUTFZRWSB-HYXAFXHYSA-N
HMDB33953,482.121296924,C25H22O10,COC1=C(O)C=CC(=C1)C1OC2=C(C=C(C=C2O)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C1CO,"InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3",BMLIIPOXVWESJG,UHFFFAOYSA,N,Silicristin,BMLIIPOXVWESJG-UHFFFAOYSA-N
HMDB33954,281.105193351,C17H15NO3,COC1=C(O)C=C2C(CC3=CC=C(O)C=C3)=NC=CC2=C1,"InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3",XUCRLUHFLBPVRO,UHFFFAOYSA,N,Juzirine,XUCRLUHFLBPVRO-UHFFFAOYSA-N
HMDB33956,219.945900638,C4H7Cl2O4P,COP(=O)(OC)OC=C(Cl)Cl,"InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3",OEBRKCOSUFCWJD,UHFFFAOYSA,N,Dichlorvos,OEBRKCOSUFCWJD-UHFFFAOYSA-N
HMDB33957,262.193280076,C17H26O2,CCCCCCC\C=C\C(O)C#C\C=C\C(O)C=C,"InChI=1S/C17H26O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10-11,13-14,16-19H,2-3,5-9H2,1H3/b13-11+,14-10+",LCHMNLCUPRABCV,CKNIOMRDSA,N,Crithmumdiol,LCHMNLCUPRABCV-CKNIOMRDSA-N
HMDB33958,132.042258744,C5H8O4,OCC1OC(=O)CC1O,"InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2",YIXDEYPPAGPYDP,UHFFFAOYSA,N,"2-Deoxy-L-ribono-1,4-lactone",YIXDEYPPAGPYDP-UHFFFAOYSA-N
HMDB33959,343.214743799,C21H29NO3,O=C(CCCCCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCC1,"InChI=1S/C21H29NO3/c23-21(22-14-8-9-15-22)11-7-5-3-1-2-4-6-10-18-12-13-19-20(16-18)25-17-24-19/h6,10,12-13,16H,1-5,7-9,11,14-15,17H2/b10-6+",HRMXETZEKQCWBC,UXBLZVDNSA,N,Isopiperolein B,HRMXETZEKQCWBC-UXBLZVDNSA-N
HMDB33960,234.161979948,C15H22O2,CC1CCC2C(C)=CC3(O)OC12CC3=C(C)C,"InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3",ISFMXVMWEWLJGJ,UHFFFAOYSA,N,Curcumenol,ISFMXVMWEWLJGJ-UHFFFAOYSA-N
HMDB33961,188.131348522,C12H16N2,CC(C)CCC1=CC2=C(N1)N=CC=C2,"InChI=1S/C12H16N2/c1-9(2)5-6-11-8-10-4-3-7-13-12(10)14-11/h3-4,7-9H,5-6H2,1-2H3,(H,13,14)",XBGGOCFKYZBURE,UHFFFAOYSA,N,"2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine",XBGGOCFKYZBURE-UHFFFAOYSA-N
HMDB33962,136.088815006,C9H12O,OCCCC1=CC=CC=C1,"InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2",VAJVDSVGBWFCLW,UHFFFAOYSA,N,3-Phenyl-1-propanol,VAJVDSVGBWFCLW-UHFFFAOYSA-N
HMDB33963,162.017306322,C6H10OS2,C=CCSS(=O)CC=C,"InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2",JDLKFOPOAOFWQN,UHFFFAOYSA,N,Allicin,JDLKFOPOAOFWQN-UHFFFAOYSA-N
HMDB33965,381.163496089,C15H27NO10,CC(C)(COC1OC(CO)C(O)C(O)C1O)C(O)C(=O)NCCC(O)=O,"InChI=1S/C15H27NO10/c1-15(2,12(23)13(24)16-4-3-8(18)19)6-25-14-11(22)10(21)9(20)7(5-17)26-14/h7,9-12,14,17,20-23H,3-6H2,1-2H3,(H,16,24)(H,18,19)",GMURXYJSTRMISD,UHFFFAOYSA,N,(R)-Pantothenic acid 4'-O-b-D-glucoside,GMURXYJSTRMISD-UHFFFAOYSA-N
HMDB33966,146.0223917,C6H10S2,C=CCSSCC=C,"InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2",PFRGXCVKLLPLIP,UHFFFAOYSA,N,"Di-2-propenyl disulfide, 9CI",PFRGXCVKLLPLIP-UHFFFAOYSA-N
HMDB33967,150.068079564,C9H10O2,CCOC(=O)C1=CC=CC=C1,"InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",MTZQAGJQAFMTAQ,UHFFFAOYSA,N,Ethyl benzoate,MTZQAGJQAFMTAQ-UHFFFAOYSA-N
HMDB33968,136.0524295,C8H8O2,COC(=O)C1=CC=CC=C1,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",QPJVMBTYPHYUOC,UHFFFAOYSA,N,Methyl benzoate,QPJVMBTYPHYUOC-UHFFFAOYSA-N
HMDB33969,149.029919919,C8H7NS,S=C=NCC1=CC=CC=C1,"InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2",MDKCFLQDBWCQCV,UHFFFAOYSA,N,Benzyl isothiocyanate,MDKCFLQDBWCQCV-UHFFFAOYSA-N
HMDB33970,150.068079564,C9H10O2,CCOC1=CC=C(C=O)C=C1,"InChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3",JRHHJNMASOIRDS,UHFFFAOYSA,N,4-Ethoxybenzaldehyde,JRHHJNMASOIRDS-UHFFFAOYSA-N
HMDB33971,117.115364107,C6H15NO,CCN(CC)CCO,"InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3",BFSVOASYOCHEOV,UHFFFAOYSA,N,2-Diethylaminoethanol,BFSVOASYOCHEOV-UHFFFAOYSA-N
HMDB33972,398.20932407,C24H30O5,CC(C)=CCC(O)C(\C)=C/C(O)C\C(C)=C\COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C24H30O5/c1-16(2)5-9-22(26)18(4)14-20(25)13-17(3)11-12-28-21-8-6-19-7-10-24(27)29-23(19)15-21/h5-8,10-11,14-15,20,22,25-26H,9,12-13H2,1-4H3/b17-11+,18-14-",NFXNEAJDYTXPLG,FPMGOWAVSA,N,Asacoumarin A,NFXNEAJDYTXPLG-FPMGOWAVSA-N
HMDB33973,578.142426277,C30H26O12,[H][C@]1([C@@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC(O)=C(O)C=C1,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",XFZJEEAOWLFHDH,NFJBMHMQSA,N,Procyanidin B2,XFZJEEAOWLFHDH-NFJBMHMQSA-N
HMDB33974,578.142426277,C30H26O12,[H][C@@]1([C@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1O[C@@H]([C@@H](O)C2)C1=CC(O)=C(O)C=C1,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",XFZJEEAOWLFHDH,AVFWISQGSA,N,Procyanidin B3,XFZJEEAOWLFHDH-AVFWISQGSA-N
HMDB33976,528.272318256,C30H40O8,CC(C1CC(OC(C)=O)C2(O)C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC(C)=C(C)C(=O)O1,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3",OPYWYTLAPWWTKW,UHFFFAOYSA,N,Physapubenolide,OPYWYTLAPWWTKW-UHFFFAOYSA-N
HMDB33977,86.036779436,C4H6O2,COC(=O)C=C,"InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3",BAPJBEWLBFYGME,UHFFFAOYSA,N,Methyl acrylate,BAPJBEWLBFYGME-UHFFFAOYSA-N
HMDB33978,100.0524295,C5H8O2,CCOC(=O)C=C,"InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3",JIGUQPWFLRLWPJ,UHFFFAOYSA,N,Ethyl acrylate,JIGUQPWFLRLWPJ-UHFFFAOYSA-N
HMDB33979,252.07864425,C16H12O3,CC1=C(C(=O)C2=C(O1)C=C(O)C=C2)C1=CC=CC=C1,"InChI=1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-9,17H,1H3",BBCDTCKKROIGAB,UHFFFAOYSA,N,7-Hydroxy-2-methylisoflavone,BBCDTCKKROIGAB-UHFFFAOYSA-N
HMDB33980,266.094294314,C17H14O3,COC1=CC2=C(C=C1)C(=O)C(=C(C)O2)C1=CC=CC=C1,"InChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3",XRGWZIGGCNSFRY,UHFFFAOYSA,N,7-Methoxy-2-methylisoflavone,XRGWZIGGCNSFRY-UHFFFAOYSA-N
HMDB33981,348.193674006,C20H28O5,CC(C)C(=O)C1=C(O)C(O)(CC=C(C)C)C(O)=C(CC=C(C)C)C1=O,"InChI=1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,23-25H,8,10H2,1-6H3",NATDBUGMTLKKCF,UHFFFAOYSA,N,Cohumulone,NATDBUGMTLKKCF-UHFFFAOYSA-N
HMDB33982,432.10564686,C21H20O10,OCC1OC(OC2=CC(O)=C3C(=O)C(=COC3=C2)C2=CC=CC=C2O)C(O)C(O)C1O,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-9-5-13(24)16-14(6-9)29-8-11(17(16)25)10-3-1-2-4-12(10)23/h1-6,8,15,18-24,26-28H,7H2",VEEIDCZENCXYKD,UHFFFAOYSA,N,Isogenistein 7-glucoside,VEEIDCZENCXYKD-UHFFFAOYSA-N
HMDB33983,354.110338308,C20H18O6,CC1(C)OC2=C(C=C1)C1=C(C(O)=C2)C(=O)C(CO1)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-8,13,21-23H,9H2,1-2H3",AWLFGFDTGPLHKG,UHFFFAOYSA,N,Cyclokievitone,AWLFGFDTGPLHKG-UHFFFAOYSA-N
HMDB33984,450.370910088,C28H50O4,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C,"InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1",VXBLCLVRWCLEOX,BFYSZXNBSA,N,6-Deoxocastasterone,VXBLCLVRWCLEOX-BFYSZXNBSA-N
HMDB33985,576.142032366,C34H24O9,CC12OC3=C(C=CC(O)=C3)C(C1O)C1=C(OC3=C(C(O)=CC(=C3)C3=CC4=C(O3)C=C(O)C=C4)C1=C2)C1=C(O)C=C(O)C=C1,"InChI=1S/C34H24O9/c1-34-14-22-29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)42-32(20-6-4-17(35)11-23(20)38)30(22)31(33(34)40)21-7-5-19(37)13-27(21)43-34/h2-14,31,33,35-40H,1H3",MINVTMPFZNRNNP,UHFFFAOYSA,N,Mulberrofuran S,MINVTMPFZNRNNP-UHFFFAOYSA-N
HMDB33986,258.089208936,C15H14O4,OC1=CC(O)=C(C=C1)C1COC2=C(C1)C=CC(O)=C2,"InChI=1S/C15H14O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-4,6-7,10,16-18H,5,8H2",CJZBXHPHEBCWLV,UHFFFAOYSA,N,Demethylvestitol,CJZBXHPHEBCWLV-UHFFFAOYSA-N
HMDB33987,430.126382302,C22H22O9,COC1=CC=C(C=C1)C1=COC2=C(C=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C1=O,"InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3",MGJLSBDCWOSMHL,UHFFFAOYSA,N,Ononin,MGJLSBDCWOSMHL-UHFFFAOYSA-N
HMDB33988,432.10564686,C21H20O10,OCC1OC(OC2=CC(O)=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",ZCOLJUOHXJRHDI,UHFFFAOYSA,N,Genistin,ZCOLJUOHXJRHDI-UHFFFAOYSA-N
HMDB33989,314.07903818,C17H14O6,COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC(OC)=C(O)C=C1,"InChI=1S/C17H14O6/c1-21-10-6-13(19)16-15(7-10)23-8-11(17(16)20)9-3-4-12(18)14(5-9)22-2/h3-8,18-19H,1-2H3",NMQZMHHAWZDJOJ,UHFFFAOYSA,N,"4',5-Dihydroxy-3',7-dimethoxyisoflavone",NMQZMHHAWZDJOJ-UHFFFAOYSA-N
HMDB33990,446.121296924,C22H22O10,COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C2C1=O,"InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3",LFEUICHQZGNOHD,UHFFFAOYSA,N,Sissotrin,LFEUICHQZGNOHD-UHFFFAOYSA-N
HMDB33991,416.110732224,C21H20O9,OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1",KYQZWONCHDNPDP,QNDFHXLGSA,N,Daidzin,KYQZWONCHDNPDP-QNDFHXLGSA-N
HMDB33992,578.163555668,C27H30O14,OCC1OC(OC2=CC=C(C=C2)C2=COC3=C(C=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C2=O)C(O)C(O)C1O,"InChI=1S/C27H30O14/c28-8-17-20(31)22(33)24(35)26(40-17)38-12-3-1-11(2-4-12)15-10-37-16-7-13(5-6-14(16)19(15)30)39-27-25(36)23(34)21(32)18(9-29)41-27/h1-7,10,17-18,20-29,31-36H,8-9H2",VWEWSCDQMVNOJP,UHFFFAOYSA,N,"Daidzein 4',7-diglucoside",VWEWSCDQMVNOJP-UHFFFAOYSA-N
HMDB33993,312.063388116,C17H12O6,COC1=CC(OC)=C2C(OC3=C2C(=O)OC2=C3C=CC(O)=C2)=C1,"InChI=1S/C17H12O6/c1-20-9-6-12(21-2)14-13(7-9)22-16-10-4-3-8(18)5-11(10)23-17(19)15(14)16/h3-7,18H,1-2H3",GYNHMEBOILXPQT,UHFFFAOYSA,N,Wairol,GYNHMEBOILXPQT-UHFFFAOYSA-N
HMDB33994,268.073558872,C16H12O4,COC1=CC=C2C(=O)C(=COC2=C1)C1=CC=C(O)C=C1,"InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3",LNIQZRIHAMVRJA,UHFFFAOYSA,N,Isoformononetin,LNIQZRIHAMVRJA-UHFFFAOYSA-N
HMDB33995,206.040150254,C11H10O2S,COC(=O)\C=C\C#CC1=CC=C(C)S1,"InChI=1S/C11H10O2S/c1-9-7-8-10(14-9)5-3-4-6-11(12)13-2/h4,6-8H,1-2H3/b6-4+",OZOCRDZZSOSJCJ,GQCTYLIASA,N,Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate,OZOCRDZZSOSJCJ-GQCTYLIASA-N
HMDB33996,302.115423686,C17H18O5,COC1=CC(O)=C(C=C1)C1COC2=CC(O)=C(OC)C=C2C1,"InChI=1S/C17H18O5/c1-20-12-3-4-13(14(18)7-12)11-5-10-6-17(21-2)15(19)8-16(10)22-9-11/h3-4,6-8,11,18-19H,5,9H2,1-2H3",MEHJSEWFUDZGDI,UHFFFAOYSA,N,"2',7-Dihydroxy-4',6-dimethoxyisoflavan",MEHJSEWFUDZGDI-UHFFFAOYSA-N
HMDB33997,336.084517488,C16H16O8,OC1CC(=CC(O)C1OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(21)24-15-12(19)6-9(16(22)23)7-13(15)20/h1-6,12-13,15,17-20H,7H2,(H,22,23)/b4-2-",VTURJKQJEXSKNY,RQOWECAXSA,N,4-O-Caffeoylshikimic acid,VTURJKQJEXSKNY-RQOWECAXSA-N
HMDB33998,432.360345402,C28H48O3,CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=CC(=O)C(C)=C(C)C1=O,"InChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7,31)18-16-25-19-26(29)23(5)24(6)27(25)30/h19-22,31H,8-18H2,1-7H3",XEXGHDCZBILZDD,UHFFFAOYSA,N,gamma-Tocopheryl quinone,XEXGHDCZBILZDD-UHFFFAOYSA-N
HMDB33999,336.084517488,C16H16O8,OC1C=C(CC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C1O)C(O)=O,"InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+",QMPHZIPNNJOWQI,DUXPYHPUSA,N,Dattelic acid,QMPHZIPNNJOWQI-DUXPYHPUSA-N
HMDB34000,260.177630012,C17H24O2,CCCCCCCC1OC1CC#CC#CC(O)C=C,"InChI=1S/C17H24O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,15-18H,2-3,5-7,10,13-14H2,1H3",GVLDSGIQZAFIAN,UHFFFAOYSA,N,Panaxydol,GVLDSGIQZAFIAN-UHFFFAOYSA-N
HMDB34001,300.099773622,C17H16O5,COC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3OC)C1O2,"InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-16-11(15(12)22-14(10)7-9)5-6-13(18)17(16)20-2/h3-7,12,15,18H,8H2,1-2H3",IPDALSAPRYQWGQ,UHFFFAOYSA,N,"3-Hydroxy-4,9-dimethoxypterocarpan",IPDALSAPRYQWGQ-UHFFFAOYSA-N
HMDB34002,272.068473494,C15H12O5,OC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3O)C1O2,"InChI=1S/C15H12O5/c16-7-1-2-8-10-6-19-15-9(3-4-11(17)13(15)18)14(10)20-12(8)5-7/h1-5,10,14,16-18H,6H2",CLHTZHIBHTWFEM,UHFFFAOYSA,N,"3,4,9-Trihydroxypterocarpan",CLHTZHIBHTWFEM-UHFFFAOYSA-N
HMDB34003,392.198759384,C25H28O4,CC(C)=CCC1=CC2=C(OCC3C2OC2=C3C=CC(O)=C2CC=C(C)C)C=C1O,"InChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3",LDKAMVCGTURXMH,UHFFFAOYSA,N,Erythrabyssin II,LDKAMVCGTURXMH-UHFFFAOYSA-N
HMDB34004,270.05282343,C15H10O5,OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H",OBWHQJYOOCRPST,UHFFFAOYSA,N,"3,4',7-Trihydroxyflavone",OBWHQJYOOCRPST-UHFFFAOYSA-N
HMDB34005,450.516452112,C32H66,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",QHMGJGNTMQDRQA,UHFFFAOYSA,N,Dotriacontane,QHMGJGNTMQDRQA-UHFFFAOYSA-N
HMDB34006,59.073499293,C3H9N,CCCN,"InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3",WGYKZJWCGVVSQN,UHFFFAOYSA,N,1-Propylamine,WGYKZJWCGVVSQN-UHFFFAOYSA-N
HMDB34007,218.049842681,C13H11ClO,C\C=C/C#CC#CC#C\C=C\C(O)CCl,"InChI=1S/C13H11ClO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13,15H,12H2,1H3/b3-2-,11-10+",BWFFGWCCMCLGBQ,JSQGHLFOSA,N,"(E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol",BWFFGWCCMCLGBQ-JSQGHLFOSA-N
HMDB34008,300.099773622,C17H16O5,COC1=C(OC)C2=C(C=C1)C1COC3=C(C=CC(O)=C3)C1O2,"InChI=1S/C17H16O5/c1-19-13-6-5-10-12-8-21-14-7-9(18)3-4-11(14)15(12)22-16(10)17(13)20-2/h3-7,12,15,18H,8H2,1-2H3",UOVGCLXUTLXAEC,UHFFFAOYSA,N,Methylnissolin,UOVGCLXUTLXAEC-UHFFFAOYSA-N
HMDB34009,330.073952802,C17H14O7,COC1=C(O)C2=C(OCC3C2OC2=CC4=C(OCO4)C=C32)C=C1O,"InChI=1S/C17H14O7/c1-20-17-9(18)3-13-14(15(17)19)16-8(5-21-13)7-2-11-12(23-6-22-11)4-10(7)24-16/h2-4,8,16,18-19H,5-6H2,1H3",PCVFSIAOIHIYNK,UHFFFAOYSA,N,Trifolian,PCVFSIAOIHIYNK-UHFFFAOYSA-N
HMDB34010,340.167459256,C21H24O4,COC1=C(C=CC(O)=C1CC=C(C)C)C1COC2=C(C1)C=CC(O)=C2,"InChI=1S/C21H24O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3",ZEJRFMCOSHZBRD,UHFFFAOYSA,N,"4',7-Dihydroxy-2'-methoxy-3'-prenylisoflavan",ZEJRFMCOSHZBRD-UHFFFAOYSA-N
HMDB34011,286.084123558,C16H14O5,COC1=C(OC)C=C2C=C(OC2=C1)C1=C(O)C=C(O)C=C1,"InChI=1S/C16H14O5/c1-19-15-6-9-5-14(21-13(9)8-16(15)20-2)11-4-3-10(17)7-12(11)18/h3-8,17-18H,1-2H3",TTWXNRBRBJPLQH,UHFFFAOYSA,N,"2-(2,4-Dihydroxyphenyl)-5,6-dimethoxybenzofuran",TTWXNRBRBJPLQH-UHFFFAOYSA-N
HMDB34012,286.084123558,C16H14O5,COC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3O)C1O2,"InChI=1S/C16H14O5/c1-19-8-2-3-9-11-7-20-16-10(4-5-12(17)14(16)18)15(11)21-13(9)6-8/h2-6,11,15,17-18H,7H2,1H3",YRFDJOAWSXSLMG,UHFFFAOYSA,N,"3,4-Dihydroxy-9-methoxypterocarpan",YRFDJOAWSXSLMG-UHFFFAOYSA-N
HMDB34013,344.089602866,C18H16O7,COC1=C(OC)C=C2C3OC4=CC5=C(OCO5)C=C4C3(O)COC2=C1,"InChI=1S/C18H16O7/c1-20-13-3-9-11(5-14(13)21-2)22-7-18(19)10-4-15-16(24-8-23-15)6-12(10)25-17(9)18/h3-6,17,19H,7-8H2,1-2H3",OPUNZSMLSXSMJN,UHFFFAOYSA,N,Lathycarpin,OPUNZSMLSXSMJN-UHFFFAOYSA-N
HMDB34014,286.047738052,C15H10O6,OC1=CC(O)=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H",GSSOWCUOWLMMRJ,UHFFFAOYSA,N,2'-Hydroxygenistein,GSSOWCUOWLMMRJ-UHFFFAOYSA-N
HMDB34015,326.115423686,C19H18O5,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(O2)C=C(O)C=C1,"InChI=1S/C19H18O5/c1-10(2)4-6-12-14(23-3)9-16-17(18(12)21)19(22)13-7-5-11(20)8-15(13)24-16/h4-5,7-9,20-21H,6H2,1-3H3",QKSNMZWDGXOPMT,UHFFFAOYSA,N,"1,6-Dihydroxy-3-methoxy-2-prenylxanthone",QKSNMZWDGXOPMT-UHFFFAOYSA-N
HMDB34016,402.167853186,C22H26O7,CCCC1=CC(=O)OC2=C(C(=O)CC(C)C)C(O)=C3C4OOC(C)(C)C4OC3=C12,"InChI=1S/C22H26O7/c1-6-7-11-9-13(24)26-18-14(11)19-16(17(25)15(18)12(23)8-10(2)3)20-21(27-19)22(4,5)29-28-20/h9-10,20-21,25H,6-8H2,1-5H3",HXNFGNDKYRUBRV,UHFFFAOYSA,N,"6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one",HXNFGNDKYRUBRV-UHFFFAOYSA-N
HMDB34017,408.193674006,C25H28O5,CC(C)=CCC\C(C)=C\CC1=CC(\C=C\C(=O)C2=C(O)C=C(O)C=C2)=C(O)C=C1O,"InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-8-18-13-19(24(29)15-23(18)28)9-12-22(27)21-11-10-20(26)14-25(21)30/h5,7,9-15,26,28-30H,4,6,8H2,1-3H3/b12-9+,17-7+",ARIUOJMONLRTJR,NNVJOTTFSA,N,Kuwanol D,ARIUOJMONLRTJR-NNVJOTTFSA-N
HMDB34018,596.465204402,C35H64O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCC(O)CCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-16-21-31(38)33-23-24-34(42-33)32(39)22-17-20-29(36)18-14-12-13-15-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3",RWCQAHGQURURKQ,UHFFFAOYSA,N,Rolliacocin,RWCQAHGQURURKQ-UHFFFAOYSA-N
HMDB34019,352.094688244,C20H16O6,CC1(C)OC2=C(C=C1)C1=C(C(O)=C2)C(=O)C(=CO1)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-9,21-23H,1-2H3",FNSFANUGPIQSTR,UHFFFAOYSA,N,Parvisoflavone A,FNSFANUGPIQSTR-UHFFFAOYSA-N
HMDB34020,450.167853186,C26H26O7,COC1=C(C(O)=C(CC=C(C)C)C(O)=C1)C1=COC2=C(C(O)=C3C=CC(C)(C)OC3=C2)C1=O,"InChI=1S/C26H26O7/c1-13(2)6-7-14-17(27)10-19(31-5)21(23(14)28)16-12-32-20-11-18-15(8-9-26(3,4)33-18)24(29)22(20)25(16)30/h6,8-12,27-29H,7H2,1-5H3",ZCGBVHBPKBFGFW,UHFFFAOYSA,N,Cajaisoflavone,ZCGBVHBPKBFGFW-UHFFFAOYSA-N
HMDB34021,434.136553058,C25H22O7,CC(=C)C1CC2=C(OC3=C(C(O)=CC4=C3C=CC(C)(C)O4)C2=O)C2=C1C(O)=C(O)C=C2O,"InChI=1S/C25H22O7/c1-10(2)12-7-13-21(29)20-15(27)9-17-11(5-6-25(3,4)32-17)23(20)31-24(13)19-14(26)8-16(28)22(30)18(12)19/h5-6,8-9,12,26-28,30H,1,7H2,2-4H3",ZIYAGIMFLYOZDS,UHFFFAOYSA,N,Artobiloxanthone,ZIYAGIMFLYOZDS-UHFFFAOYSA-N
HMDB34022,408.008592128,C16H12N2O7S2,OC1=CC=C2C=C(C=CC2=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C16H12N2O7S2/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+",KEYWXKLGZZGHMT,ISLYRVAYSA,N,6-Hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid,KEYWXKLGZZGHMT-ISLYRVAYSA-N
HMDB34023,286.10525293,C13H18O7,OCC1OC(OCC2=CC=CC=C2O)C(O)C(O)C1O,"InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-3-1-2-4-8(7)15/h1-4,9-18H,5-6H2",VBSPBYNZPRRGSB,UHFFFAOYSA,N,Isosalicin,VBSPBYNZPRRGSB-UHFFFAOYSA-N
HMDB34024,286.120509064,C17H18O4,COC1=CC(O)=C(C=C1)C1COC2=C(C1)C=CC(OC)=C2,"InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3",FWAWTPASGRNXTO,UHFFFAOYSA,N,Isosativan,FWAWTPASGRNXTO-UHFFFAOYSA-N
HMDB34025,354.146723814,C21H22O5,COC1=C(CC=C(C)C)C2=C(C=C1)C1(O)COC3=C(C=CC(O)=C3)C1O2,"InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3",ZHPYEBFYLDGZKF,UHFFFAOYSA,N,Cristacarpin,ZHPYEBFYLDGZKF-UHFFFAOYSA-N
HMDB34026,340.13107375,C20H20O5,CC(C)=CCC1=C(O)C=CC2=C1OCC1(O)C2OC2=C1C=CC(O)=C2,"InChI=1S/C20H20O5/c1-11(2)3-5-13-16(22)8-6-14-18(13)24-10-20(23)15-7-4-12(21)9-17(15)25-19(14)20/h3-4,6-9,19,21-23H,5,10H2,1-2H3",NLHMQOCIFRDSNU,UHFFFAOYSA,N,Glyceollidin I,NLHMQOCIFRDSNU-UHFFFAOYSA-N
HMDB34027,336.099773622,C20H16O5,CC1(C)CCC2=C(O1)C=CC1=C2OC2=C1C(=O)OC1=C2C=CC(O)=C1,"InChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3",GSAVLDZAGYKJSO,UHFFFAOYSA,N,Sojagol,GSAVLDZAGYKJSO-UHFFFAOYSA-N
HMDB34028,302.188194698,C19H26O3,COC1=C(C(C)=O)C(C\C=C(/C)CCC=C(C)C)=CC(O)=C1,"InChI=1S/C19H26O3/c1-13(2)7-6-8-14(3)9-10-16-11-17(21)12-18(22-5)19(16)15(4)20/h7,9,11-12,21H,6,8,10H2,1-5H3/b14-9+",JUCDMGAOGQOSAG,NTEUORMPSA,N,"2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone",JUCDMGAOGQOSAG-NTEUORMPSA-N
HMDB34029,120.093900384,C9H12,CC(C)C1=CC=CC=C1,"InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3",RWGFKTVRMDUZSP,UHFFFAOYSA,N,Isopropylbenzene,RWGFKTVRMDUZSP-UHFFFAOYSA-N
HMDB34030,398.136553058,C22H22O7,COC1=C(OC)C2=C(C=C1)C(=O)C1=C(O2)C(OC)=C2OC(C)(C)C=CC2=C1OC,"InChI=1S/C22H22O7/c1-22(2)10-9-12-16(25-4)14-15(23)11-7-8-13(24-3)19(26-5)17(11)28-20(14)21(27-6)18(12)29-22/h7-10H,1-6H3",DLIXREHRECIYQJ,UHFFFAOYSA,N,Dulxanthone E,DLIXREHRECIYQJ-UHFFFAOYSA-N
HMDB34031,356.292659768,C21H40O4,CCCCCCCCCCC(=O)OCC(O)COC\C=C\CCCC,"InChI=1S/C21H40O4/c1-3-5-7-9-10-11-12-14-16-21(23)25-19-20(22)18-24-17-15-13-8-6-4-2/h13,15,20,22H,3-12,14,16-19H2,1-2H3/b15-13+",AQZFORIMCWMRNP,FYWRMAATSA,N,3-(2-Heptenyloxy)-2-hydroxypropyl undecanoate,AQZFORIMCWMRNP-FYWRMAATSA-N
HMDB34032,426.152597052,C20H26O10,CC1(C)CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C(CCC(O)=O)=C2,"InChI=1S/C20H26O10/c1-20(2)7-11(22)10-5-9(3-4-15(23)24)12(6-13(10)30-20)28-19-18(27)17(26)16(25)14(8-21)29-19/h5-6,14,16-19,21,25-27H,3-4,7-8H2,1-2H3,(H,23,24)",DSNULGSRJZPYOC,UHFFFAOYSA,N,"6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside",DSNULGSRJZPYOC-UHFFFAOYSA-N
HMDB34033,530.46989585,C35H62O3,CCCCCCCCCCCCCCC1OC1CC\C=C/CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-13-16-19-22-25-28-33-34(38-33)29-26-23-20-17-14-11-10-12-15-18-21-24-27-32-30-31(2)37-35(32)36/h20,23,30-31,33-34H,3-19,21-22,24-29H2,1-2H3/b23-20-",LMDZVARATIVDAM,ATJXCDBQSA,N,Sabadelin,LMDZVARATIVDAM-ATJXCDBQSA-N
HMDB34034,282.037567296,C12H10O8,OCC1=CC(=O)C(O)=C(O1)C1=C(O)C(=O)C=C(CO)O1,"InChI=1S/C12H10O8/c13-3-5-1-7(15)9(17)11(19-5)12-10(18)8(16)2-6(4-14)20-12/h1-2,13-14,17-18H,3-4H2",SBAWSKBDCSMRPE,UHFFFAOYSA,N,Bikojic acid,SBAWSKBDCSMRPE-UHFFFAOYSA-N
HMDB34035,536.095476104,C27H20O12,OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(OC2=CC3=C(OC2=O)C=C(O)C(O)=C3)C=C1,"InChI=1S/C27H20O12/c28-16-4-1-14(8-17(16)29)9-23(26(34)35)38-25(33)6-3-13-2-5-21(20(32)7-13)37-24-11-15-10-18(30)19(31)12-22(15)39-27(24)36/h1-8,10-12,23,28-32H,9H2,(H,34,35)/b6-3+",FGLLLJUSIHHQKZ,ZZXKWVIFSA,N,Sagecoumarin,FGLLLJUSIHHQKZ-ZZXKWVIFSA-N
HMDB34036,488.350174646,C30H48O5,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CC1O)C(O)=O,"InChI=1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)",CFKXWTNHIJAFNL,UHFFFAOYSA,N,Pitheduloside I,CFKXWTNHIJAFNL-UHFFFAOYSA-N
HMDB34037,494.136553058,C30H22O7,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(CO)C=C2O,"InChI=1S/C30H22O7/c1-13-8-17-23(15-4-2-6-19(32)25(15)29(36)27(17)21(34)9-13)24-16-5-3-7-20(33)26(16)30(37)28-18(24)10-14(12-31)11-22(28)35/h2-11,23-24,31-35H,12H2,1H3",AGYHUJLPTURBHW,UHFFFAOYSA,N,Palmidin B,AGYHUJLPTURBHW-UHFFFAOYSA-N
HMDB34038,510.13146768,C30H22O8,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(CO)C=C2O,"InChI=1S/C30H22O8/c1-12-5-16-24(18-9-14(32)10-22(36)28(18)30(38)26(16)20(34)6-12)23-15-3-2-4-19(33)25(15)29(37)27-17(23)7-13(11-31)8-21(27)35/h2-10,23-24,31-36H,11H2,1H3",DJTVMANCSQLMCX,UHFFFAOYSA,N,Palmidin A,DJTVMANCSQLMCX-UHFFFAOYSA-N
HMDB34039,336.063388116,C19H12O6,O=C1C2C(COC3=CC4=C(OCO4)C=C23)OC2=C1C=C1C=COC1=C2,"InChI=1S/C19H12O6/c20-19-11-3-9-1-2-21-12(9)5-14(11)25-17-7-22-13-6-16-15(23-8-24-16)4-10(13)18(17)19/h1-6,17-18H,7-8H2",RAJDDCCSNZAPCH,UHFFFAOYSA,N,Dolineone,RAJDDCCSNZAPCH-UHFFFAOYSA-N
HMDB34040,174.125594442,C9H18O3,CCC1OC(CC)OC(CC)O1,"InChI=1S/C9H18O3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3",GYBGKXFOKOSPLS,UHFFFAOYSA,N,"2,4,6-Triethyl-1,3,5-trioxane",GYBGKXFOKOSPLS-UHFFFAOYSA-N
HMDB34041,338.115423686,C20H18O5,CC(=C)C1CC2=CC3=C(OCC4(O)C3OC3=C4C=CC(O)=C3)C=C2O1,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3",MIYTVBARXCVVHZ,UHFFFAOYSA,N,Glyceollin III,MIYTVBARXCVVHZ-UHFFFAOYSA-N
HMDB34042,284.032087988,C15H8O6,OC1=CC2=C(C=C1)C1=C(O2)C2=C(OC1=O)C=C(O)C(O)=C2,"InChI=1S/C15H8O6/c16-6-1-2-7-11(3-6)20-14-8-4-9(17)10(18)5-12(8)21-15(19)13(7)14/h1-5,16-18H",CJPXZAMCIOOMNF,UHFFFAOYSA,N,Lucernol,CJPXZAMCIOOMNF-UHFFFAOYSA-N
HMDB34043,287.055563084,C15H11O6,OC1=CC(O)=C2C=CC(=[O+]C2=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C15H10O6/c16-8-5-10(17)9-1-2-13(21-14(9)6-8)7-3-11(18)15(20)12(19)4-7/h1-6H,(H4-,16,17,18,19,20)/p+1",CMPNIWQMRYYTMK,UHFFFAOYSA,O,Tricetanidin,CMPNIWQMRYYTMK-UHFFFAOYSA-O
HMDB34044,1564.802486494,C76H124O33,CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(OC(=O)C(\C)=C/C(O)C\C(C)=C/CC\C(C)=C/CCC(C)(OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C1O,"InChI=1S/C76H124O33/c1-13-75(11,108-72-63(94)57(88)53(84)47(33-78)102-72)28-18-26-39(5)22-16-24-40(6)30-45(80)31-42(8)68(96)105-66-59(90)50(81)43(9)100-73(66)98-36-49-55(86)58(89)62(93)71(104-49)106-65-51(82)44(10)99-69(64(65)95)97-35-41(7)25-17-23-37(3)20-15-21-38(4)27-19-29-76(12,14-2)109-74-67(60(91)54(85)48(34-79)103-74)107-70-61(92)56(87)52(83)46(32-77)101-70/h13-14,20,24-27,31,43-67,69-74,77-95H,1-2,15-19,21-23,28-30,32-36H2,3-12H3/b37-20-,38-27+,39-26-,40-24-,41-25+,42-31-",KUPGGXGLYVOMMG,UOSNZFRRSA,N,Capsianside A,KUPGGXGLYVOMMG-UOSNZFRRSA-N
HMDB34045,405.076337341,C12H23NO10S2,CCC(C)(O)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C12H23NO10S2/c1-3-12(2,18)4-7(13-23-25(19,20)21)24-11-10(17)9(16)8(15)6(5-14)22-11/h6,8-11,14-18H,3-5H2,1-2H3,(H,19,20,21)/b13-7+",JEOJIKMFKHSAJU,NTUHNPAUSA,N,Glucocleomin,JEOJIKMFKHSAJU-NTUHNPAUSA-N
HMDB34046,238.120509064,C13H18O4,COC1=C(OC)C(OC)=C(OC)C(CC=C)=C1,"InChI=1S/C13H18O4/c1-6-7-9-8-10(14-2)12(16-4)13(17-5)11(9)15-3/h6,8H,1,7H2,2-5H3",HRAXJWRHSUTMCS,UHFFFAOYSA,N,"1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene",HRAXJWRHSUTMCS-UHFFFAOYSA-N
HMDB34047,210.089208936,C11H14O4,COC1=CC(OC)=C(C(C)=O)C(O)=C1C,"InChI=1S/C11H14O4/c1-6-8(14-3)5-9(15-4)10(7(2)12)11(6)13/h5,13H,1-4H3",AAOFJKLTRKOQTQ,UHFFFAOYSA,N,"2'-Hydroxy-4',6'-dimethoxy-3'-methylacetophenone",AAOFJKLTRKOQTQ-UHFFFAOYSA-N
HMDB34048,354.146723808,C21H22O5,COC1=C2C(=O)CC(OC2=C(CC=C(C)C)C(O)=C1)C1=CC=C(O)C=C1,"InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3",YKGCBLWILMDSAV,UHFFFAOYSA,N,Isoxanthohumol,YKGCBLWILMDSAV-UHFFFAOYSA-N
HMDB34049,336.063388116,C19H12O6,COC1=CC2=C(OCO2)C=C1C1=CC2=C(OC1=O)C=C1OC=CC1=C2,"InChI=1S/C19H12O6/c1-21-16-8-18-17(23-9-24-18)6-12(16)13-5-11-4-10-2-3-22-14(10)7-15(11)25-19(13)20/h2-8H,9H2,1H3",PENSQRMNZZWMGV,UHFFFAOYSA,N,Pachyrrhizin,PENSQRMNZZWMGV-UHFFFAOYSA-N
HMDB34050,336.099773622,C20H16O5,CC(C)=CCC1=CC2=C(OC(=O)C3=C2OC2=C3C=CC(O)=C2)C=C1O,"InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3",YABIJLLNNFURIJ,UHFFFAOYSA,N,Psoralidin,YABIJLLNNFURIJ-UHFFFAOYSA-N
HMDB34051,332.074346732,C13H16O10,OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2",VGVDLJNNDOFWKT,UHFFFAOYSA,N,6-Galloylglucose,VGVDLJNNDOFWKT-UHFFFAOYSA-N
HMDB34052,614.163555668,C30H30O14,OCC1OC(C(O)C(O)C1O)C1(O)C(O)=C(C(CC(O)=O)C2=CC=C(O)C=C2)C(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C1=O,"InChI=1S/C30H30O14/c31-12-19-23(37)25(39)26(40)29(44-19)30(43)27(41)21(17(11-20(35)36)14-4-8-16(33)9-5-14)24(38)22(28(30)42)18(34)10-3-13-1-6-15(32)7-2-13/h1-10,17,19,23,25-26,29,31-33,37-41,43H,11-12H2,(H,35,36)/b10-3+",CCEKPTFNQKNHKZ,XCVCLJGOSA,N,Safflomin C,CCEKPTFNQKNHKZ-XCVCLJGOSA-N
HMDB34053,884.476950878,C45H72O17,CC(C1CCC2C3=CC(=O)C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1CCC(C)C(OC2OC(C)C(O)C(O)C2O)O1,"InChI=1S/C45H72O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h16,18-22,24-27,29-43,46,48-55H,7-15,17H2,1-6H3",OFFJUHSISSNBNT,UHFFFAOYSA,N,Polypodoside A,OFFJUHSISSNBNT-UHFFFAOYSA-N
HMDB34054,298.15689457,C19H22O3,CC(C)=CCC\C(C)=C\COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+",RSDDHGSKLOSQFK,RVDMUPIBSA,N,Auraptene,RSDDHGSKLOSQFK-RVDMUPIBSA-N
HMDB34055,894.294629418,C45H50O19,C\C(OC(=O)CC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC3=C(C=C(O)C(O)=C3)C2=O)C=C1O)=C/C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H50O19/c1-20(11-7-13-22(3)44(59)64-45-42(58)40(56)37(53)31(19-46)63-45)9-5-6-10-21(2)12-8-14-23(4)60-32(50)18-30-36(52)39(55)41(57)43(62-30)33-27(49)17-29-34(38(33)54)35(51)24-15-25(47)26(48)16-28(24)61-29/h5-17,30-31,36-37,39-43,45-49,52-58H,18-19H2,1-4H3/b6-5+,11-7+,12-8-,20-9+,21-10+,22-13-,23-14+",AGKNAOPKRCPHOJ,DFVWWCASSA,N,Mangicrocin,AGKNAOPKRCPHOJ-DFVWWCASSA-N
HMDB34056,222.089208936,C12H14O4,OC(=O)CCCCC1=CC2=C(OCO2)C=C1,"InChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14)",VSLFLWQBWGEPBW,UHFFFAOYSA,N,"5-(3,4-Methylenedioxyphenyl)pentanoic acid",VSLFLWQBWGEPBW-UHFFFAOYSA-N
HMDB34057,488.277403634,C28H40O7,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4OC44CCCC(=O)C4(C)C3CCC12C,"InChI=1S/C28H40O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h17-18,20-21,31-33H,6-14H2,1-5H3",OILCCDVXJXTPHF,UHFFFAOYSA,N,"2,3-Dihydrowithanolide E",OILCCDVXJXTPHF-UHFFFAOYSA-N
HMDB34058,312.089877638,C20H12N2O2,O=C1C2=CC=CC=C2NC2=CC3=C(NC4=CC=CC=C4C3=O)C=C12,"InChI=1S/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)",NRCMAYZCPIVABH,UHFFFAOYSA,N,Quinacridone,NRCMAYZCPIVABH-UHFFFAOYSA-N
HMDB34059,502.256668192,C28H38O8,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H38O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30,32-34H,8-13H2,1-5H3",UPBUGICUKQIKTJ,UHFFFAOYSA,N,4beta-Hydroxywithanolide E,UPBUGICUKQIKTJ-UHFFFAOYSA-N
HMDB34060,314.100167552,C14H18O8,CC(=O)OCC1OC(OC2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C14H18O8/c1-7(15)20-6-10-11(17)12(18)13(19)14(22-10)21-9-4-2-8(16)3-5-9/h2-5,10-14,16-19H,6H2,1H3",XABUTYXAHYMCDK,UHFFFAOYSA,N,6-O-Acetylarbutin,XABUTYXAHYMCDK-UHFFFAOYSA-N
HMDB34061,578.254953632,C30H42O9S,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4SCC(O)OC5C=CC(=O)C(C)(C3CCC12C)C45O,"InChI=1S/C30H42O9S/c1-15-12-21(39-24(33)16(15)2)27(5,34)29(36)11-10-28(35)18-13-22-30(37)20(38-23(32)14-40-22)7-6-19(31)26(30,4)17(18)8-9-25(28,29)3/h6-7,17-18,20-23,32,34-37H,8-14H2,1-5H3",RALUHIBMVXYCHB,UHFFFAOYSA,N,Withaperuvin H,RALUHIBMVXYCHB-UHFFFAOYSA-N
HMDB34062,1048.545424372,C51H84O22,CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3",LVTJOONKWUXEFR,UHFFFAOYSA,N,Protodioscin,LVTJOONKWUXEFR-UHFFFAOYSA-N
HMDB34063,902.487515564,C45H74O18,CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H74O18/c1-19(18-57-40-36(53)34(51)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-38(55)35(52)39(29(17-47)61-42)62-41-37(54)33(50)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3",RKFMVZQLJBGJKK,UHFFFAOYSA,N,Asparasaponin II,RKFMVZQLJBGJKK-UHFFFAOYSA-N
HMDB34064,428.256274262,C26H36O5,CC\C(C)=C\C(=O)OC1CC(C(C)C)C2C(C(OC(=O)C(\C)=C/C)C(=O)\C2=C/C)C1=C,"InChI=1S/C26H36O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h10-12,14,19-20,22-23,25H,8-9,13H2,1-7H3/b15-12+,16-10-,18-11-",FBGUGCFBJJKKCK,AHFXLWIPSA,N,"2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one",FBGUGCFBJJKKCK-AHFXLWIPSA-N
HMDB34065,442.271924326,C27H38O5,CC\C(C)=C/C(=O)OC1C2C(C(CC(OC(=O)\C=C(/C)CC)C2=C)C(C)C)\C(=C\C)C1=O,"InChI=1S/C27H38O5/c1-9-16(6)12-22(28)31-21-14-20(15(4)5)25-19(11-3)26(30)27(24(25)18(21)8)32-23(29)13-17(7)10-2/h11-13,15,20-21,24-25,27H,8-10,14H2,1-7H3/b16-12+,17-13-,19-11-",JIHQHYGTRUPAHN,PISIAACCSA,N,"2,9-Bis(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one",JIHQHYGTRUPAHN-PISIAACCSA-N
HMDB34066,426.386166222,C30H50O,CC\C=C(\CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8-",LVMOSMRIAUDGQC,UYOCIXKTSA,N,29-Methylisofucosterol,LVMOSMRIAUDGQC-UYOCIXKTSA-N
HMDB34067,696.13264947,C33H28O17,OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC1COC(=O)C1=CC=C(O)C=C1)C1=C(O)C=C(O)C(C(=O)C2=CC(O)=C(O)C=C2)=C1O,"InChI=1S/C33H28O17/c34-15-4-1-12(2-5-15)32(46)48-11-22-27(43)29(45)31(50-33(47)14-8-20(39)26(42)21(40)9-14)30(49-22)24-19(38)10-18(37)23(28(24)44)25(41)13-3-6-16(35)17(36)7-13/h1-10,22,27,29-31,34-40,42-45H,11H2",POUWJMQLFDEGQD,UHFFFAOYSA,N,Maclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside),POUWJMQLFDEGQD-UHFFFAOYSA-N
HMDB34068,696.13264947,C33H28O17,OC1C(O)C(OC(=O)C2=CC=C(O)C=C2)C(OC1COC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C=C(O)C(C(=O)C2=CC(O)=C(O)C=C2)=C1O,"InChI=1S/C33H28O17/c34-15-4-1-12(2-5-15)33(47)50-31-29(45)27(43)22(11-48-32(46)14-8-20(39)26(42)21(40)9-14)49-30(31)24-19(38)10-18(37)23(28(24)44)25(41)13-3-6-16(35)17(36)7-13/h1-10,22,27,29-31,34-40,42-45H,11H2",KLKOBSQIPPYKDT,UHFFFAOYSA,N,Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside),KLKOBSQIPPYKDT-UHFFFAOYSA-N
HMDB34069,224.068473494,C11H12O5,COC1=CC(\C=C/C(O)=O)=CC(OC)=C1O,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3-",PCMORTLOPMLEFB,ARJAWSKDSA,N,cis-Sinapic acid,PCMORTLOPMLEFB-ARJAWSKDSA-N
HMDB34070,359.034472527,C10H17NO9S2,OC[C@H]1O[C@@H](S\C(=N\OS(O)(=O)=O)CC=C)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1",PHZOWSSBXJXFOR,PTGZALFTSA,N,Sinigrin,PHZOWSSBXJXFOR-PTGZALFTSA-N
HMDB34071,389.045037213,C11H19NO10S2,OCC1OC(S\C(CC(O)C=C)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7+",MYHSVHWQEVDFQT,KPKJPENVSA,N,Progoitrin,MYHSVHWQEVDFQT-KPKJPENVSA-N
HMDB34072,504.169034976,C18H32O16,OCC1OC(CO)(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2",MUPFEKGTMRGPLJ,UHFFFAOYSA,N,Gentianose,MUPFEKGTMRGPLJ-UHFFFAOYSA-N
HMDB34073,304.101898886,C10H16N4O7,NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N)=N1,"InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)",KGNGTSCIQCLKEH,UHFFFAOYSA,N,Vicine,KGNGTSCIQCLKEH-UHFFFAOYSA-N
HMDB34074,298.250794954,C18H34O3,CCCCCCCCCCCCCC(=O)CCCC(O)=O,"InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h2-16H2,1H3,(H,20,21)",UIROXHXJKJUFSV,UHFFFAOYSA,N,5-Oxooctadecanoic acid,UIROXHXJKJUFSV-UHFFFAOYSA-N
HMDB34075,574.241412058,C30H38O11,COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(OC(C)=O)C34OC(CC(OC(C)=O)C13C)(OC)OC4(C)C)O2,"InChI=1S/C30H38O11/c1-14-18-13-36-25(33)22(18)24(34-8)17-10-19-27(6,39-23(14)17)11-21(38-16(3)32)30-26(4,5)40-29(35-9,41-30)12-20(28(19,30)7)37-15(2)31/h19-21H,10-13H2,1-9H3",CSYWTGORJHMPOT,UHFFFAOYSA,N,Austalide C,CSYWTGORJHMPOT-UHFFFAOYSA-N
HMDB34076,532.230847372,C28H36O10,COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(OC(C)=O)C34OC(CC(O)C13C)(OC)OC4(C)C)O2,"InChI=1S/C28H36O10/c1-13-16-12-34-23(31)20(16)22(32-7)15-9-17-25(5,36-21(13)15)11-19(35-14(2)29)28-24(3,4)37-27(33-8,38-28)10-18(30)26(17,28)6/h17-19,30H,9-12H2,1-8H3",FGVDMOOUPMLQRT,UHFFFAOYSA,N,Austalide E,FGVDMOOUPMLQRT-UHFFFAOYSA-N
HMDB34077,486.26175357,C28H38O7,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(O)C4=CC=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-11-27(33)19-14-20(29)18-7-6-8-21(30)25(18,4)17(19)9-10-24(27,28)3/h6-8,17,19-20,22,29,32-34H,9-14H2,1-5H3",IBJZGHYOMSKIJB,UHFFFAOYSA,N,Withaperuvin C,IBJZGHYOMSKIJB-UHFFFAOYSA-N
HMDB34078,410.354866094,C29H46O,CCC(\C=C\C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)=C,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+",ZTJFINKUHDHOSM,CMDGGOBGSA,N,22-Dehydroclerosterol,ZTJFINKUHDHOSM-CMDGGOBGSA-N
HMDB34079,476.350174646,C29H48O5,C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C29H48O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h7,15-16,18-22,24-27,31-34H,8-14H2,1-6H3/b17-7+",DXUFRIYNOOTWEO,REZTVBANSA,N,Homodolichosterone,DXUFRIYNOOTWEO-REZTVBANSA-N
HMDB34080,126.068079564,C7H10O2,CC1CCCC(=O)C1=O,"InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3",JDXJKLGWPNXSHL,UHFFFAOYSA,N,"3-Methyl-1,2-cyclohexanedione",JDXJKLGWPNXSHL-UHFFFAOYSA-N
HMDB34081,480.345089268,C28H48O6,[H][C@@]12CC[C@H]([C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])COC(=O)[C@@]2([H])C[C@H](O)[C@H](O)C[C@]12C,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1",IXVMHGVQKLDRKH,QHBHMFGVSA,N,Brassinolide,IXVMHGVQKLDRKH-QHBHMFGVSA-N
HMDB34082,1422.651465162,C63H106O35,CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C63H106O35/c1-21(20-86-55-46(80)42(76)37(71)30(14-64)88-55)7-10-63(85)22(2)36-29(98-63)12-26-24-6-5-23-11-28(27(70)13-62(23,4)25(24)8-9-61(26,36)3)87-56-49(83)45(79)51(35(19-69)93-56)94-60-54(53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58)97-59-50(84)52(40(74)33(17-67)91-59)95-57-47(81)43(77)38(72)31(15-65)89-57/h21-60,64-85H,5-20H2,1-4H3",MFHFOWCCIUBMFM,UHFFFAOYSA,N,Capsicoside A,MFHFOWCCIUBMFM-UHFFFAOYSA-N
HMDB34083,1082.55090368,C51H86O24,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C51H86O24/c1-20(19-67-45-40(63)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-46-42(65)39(62)43(31(18-55)72-46)73-48-44(38(61)35(58)30(17-54)71-48)74-47-41(64)37(60)34(57)29(16-53)70-47/h20-48,52-66H,5-19H2,1-4H3",OFEAYOYKIQKFSK,UHFFFAOYSA,N,Tomatoside A,OFEAYOYKIQKFSK-UHFFFAOYSA-N
HMDB34084,568.28836225,C29H44O11,CC1OC(OC2CCC3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O,"InChI=1S/C29H44O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,14,16-19,21-25,30-31,33-37H,3-8,10-13H2,1-2H3",BUGNRCRUPAIYMD,UHFFFAOYSA,N,Canesceol,BUGNRCRUPAIYMD-UHFFFAOYSA-N
HMDB34085,293.111066589,C11H19NO8,OCC1OC(OCC(O)(CO)CC#N)C(O)C(O)C1O,"InChI=1S/C11H19NO8/c12-2-1-11(18,4-14)5-19-10-9(17)8(16)7(15)6(3-13)20-10/h6-10,13-18H,1,3-5H2",NYBBODHIFBLFMJ,UHFFFAOYSA,N,"(3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside",NYBBODHIFBLFMJ-UHFFFAOYSA-N
HMDB34086,478.329439204,C28H46O6,CC(C)C(=C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C28H46O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14,16-25,29-32H,3,7-13H2,1-2,4-6H3",PPFRJNLKWADOTL,UHFFFAOYSA,N,Dolicholide,PPFRJNLKWADOTL-UHFFFAOYSA-N
HMDB34087,338.115423686,C20H18O5,CC1(C)OC2=CC3=C(C=C2C=C1)C1OC2=C(C=CC(O)=C2)C1(O)CO3,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3",DDJVLBCETGUEBO,UHFFFAOYSA,N,Glyceollin II,DDJVLBCETGUEBO-UHFFFAOYSA-N
HMDB34088,652.615831804,C45H80O2,CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(CC)C(C)C,"InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3",IWTJDVBNIUPPPB,UHFFFAOYSA,N,beta-Sitosterol palmitate,IWTJDVBNIUPPPB-UHFFFAOYSA-N
HMDB34089,840.684305298,C53H92O7,CCCCCCCC\C=C\CCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(CC)C(C)C)C(O)C(O)C1O,"InChI=1S/C53H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h16-17,27,37-39,41-46,48-51,55-57H,8-15,18-26,28-36H2,1-7H3/b17-16+",MEEONOMPSMYAQO,WUKNDPDISA,N,Sitoindoside II,MEEONOMPSMYAQO-WUKNDPDISA-N
HMDB34090,362.20932407,C21H30O5,CC(C)CC(=O)C1=C(O)C(O)(CC=C(C)C)C(O)=C(CC=C(C)C)C1=O,"InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,24-26H,8,10-11H2,1-6H3",RMFGNMMNUZWCRZ,UHFFFAOYSA,N,(R)-Humulone,RMFGNMMNUZWCRZ-UHFFFAOYSA-N
HMDB34091,626.36661257,C33H54O11,CC(C)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)C(O)CC4(C)C3CCC12C,"InChI=1S/C33H54O11/c1-16(2)6-7-25(37)32(5,41)24-9-11-33(42)18-12-20(35)19-13-22(43-29-28(40)27(39)26(38)23(15-34)44-29)21(36)14-30(19,3)17(18)8-10-31(24,33)4/h12,16-17,19,21-29,34,36-42H,6-11,13-15H2,1-5H3",CNAKQRUFJWYXIC,UHFFFAOYSA,N,Ponasteroside A,CNAKQRUFJWYXIC-UHFFFAOYSA-N
HMDB34092,526.18389718,C28H30O10,CC12OC(=O)C3(O)CCC4C(CC5OC55CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5,"InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3",VSLWNSSUMFSGFF,UHFFFAOYSA,N,Physalin F,VSLWNSSUMFSGFF-UHFFFAOYSA-N
HMDB34093,562.160574919,C28H31ClO10,CC12OC(=O)C3(O)CCC4C(CC(O)C5(Cl)CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5,"InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3",YNEPXUIPALKHAU,UHFFFAOYSA,N,Physalin H,YNEPXUIPALKHAU-UHFFFAOYSA-N
HMDB34094,510.188982558,C28H30O9,CC12OC(=O)C3(O)CCC4C(CC=C5CC=CC(=O)C45C)C4(O)OC13C(C4=O)C1(C)CC2OC(=O)C1=C,"InChI=1S/C28H30O9/c1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27/h5,7-8,15-16,18-19,33-34H,1,6,9-12H2,2-4H3",OZDVKLAQLVYYJW,UHFFFAOYSA,N,Physalin C,OZDVKLAQLVYYJW-UHFFFAOYSA-N
HMDB34095,628.303618384,C38H44O8,CC(C)=CCCC1(C)OC2=C(C=C1)C(O)=C1C(=O)C3=CC4CC5C(C)(C)OC(C\C=C(\C)C(O)=O)(C4=O)C35OC1=C2CC=C(C)C,"InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-",GEZHEQNLKAOMCA,XKZIYDEJSA,N,Gambogic acid,GEZHEQNLKAOMCA-XKZIYDEJSA-N
HMDB34096,358.178023942,C21H26O5,CCCC1=CC(=O)OC2=C1C(O)=C(CC=C(C)C)C(O)=C2C(=O)C(C)C,"InChI=1S/C21H26O5/c1-6-7-13-10-15(22)26-21-16(13)19(24)14(9-8-11(2)3)20(25)17(21)18(23)12(4)5/h8,10,12,24-25H,6-7,9H2,1-5H3",FLFMHVIZGHIVEJ,UHFFFAOYSA,N,Mammea B/BD,FLFMHVIZGHIVEJ-UHFFFAOYSA-N
HMDB34097,1088.097839684,C48H32O30,OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(OC4=C(O)C5=C(C=C4O)C(=O)OC4=C5C(=CC(O)=C4O)C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=C(O)C(O)=C3,"InChI=1S/C48H32O30/c49-17-1-11(2-18(50)29(17)58)42(65)76-40-38-26(72-48(78-44(67)13-5-21(53)31(60)22(54)6-13)41(40)77-43(66)12-3-19(51)30(59)20(52)4-12)10-71-45(68)16-9-23(55)32(61)35(64)36(16)73-37-25(57)8-14-27(34(37)63)28-15(47(70)74-38)7-24(56)33(62)39(28)75-46(14)69/h1-9,26,38,40-41,48-64H,10H2",DOTJYWQAPHIAIF,UHFFFAOYSA,N,Bicornin,DOTJYWQAPHIAIF-UHFFFAOYSA-N
HMDB34098,422.172938564,C25H26O6,CC(C)=CCCC1(C)OC2=CC3=C(C(=O)CC(O3)C3=C(O)C=C(O)C=C3)C(O)=C2C=C1,"InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-21(31-25)13-22-23(24(17)29)19(28)12-20(30-22)16-7-6-15(26)11-18(16)27/h5-8,10-11,13,20,26-27,29H,4,9,12H2,1-3H3",FBVQKNJIYRJQBU,UHFFFAOYSA,N,Kuwanol C,FBVQKNJIYRJQBU-UHFFFAOYSA-N
HMDB34099,198.089208936,C10H14O4,CC(C\C=C\C=C(/C)C(O)=O)C(O)=O,"InChI=1S/C10H14O4/c1-7(9(11)12)5-3-4-6-8(2)10(13)14/h3-5,8H,6H2,1-2H3,(H,11,12)(H,13,14)/b4-3+,7-5+",ZBXYMKUZCWCGPC,BDWKERMESA,N,"(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid",ZBXYMKUZCWCGPC-BDWKERMESA-N
HMDB34100,556.136946988,C31H24O10,COC1=CC2=C(C(O)=C3C(=O)C=C(C)OC3=C2C2=C(O)C=C3C=C4OC(C)=CC(=O)C4=C(O)C3=C2OC)C(OC)=C1,"InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-19(34)26(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-20(38-4)23(16)29(36)27-18(33)7-13(2)41-31(24)27/h6-11,34-36H,1-5H3",NIYWIZVIKTZNQP,UHFFFAOYSA,N,Dianhydroaurasperone C,NIYWIZVIKTZNQP-UHFFFAOYSA-N
HMDB34101,568.304955788,C34H40N4O4,CCC(C)C1NC(=O)C(NC(=O)C(CC2=CC=CC=C2)N(C)C)C(OC2=CC=C(C=C2)\C=C/NC1=O)C1=CC=CC=C1,"InChI=1S/C34H40N4O4/c1-5-23(2)29-33(40)35-21-20-24-16-18-27(19-17-24)42-31(26-14-10-7-11-15-26)30(34(41)36-29)37-32(39)28(38(3)4)22-25-12-8-6-9-13-25/h6-21,23,28-31H,5,22H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)/b21-20-",GVFKEVFAPIUOAI,MRCUWXFGSA,N,Adouetine Y,GVFKEVFAPIUOAI-MRCUWXFGSA-N
HMDB34102,444.335193284,C27H44N2O3,CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CN1N=O,"InChI=1S/C27H44N2O3/c1-16-7-12-27(29(15-16)28-31)17(2)24-23(32-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,30H,5-15H2,1-4H3",SGPLNSURQYXVNX,UHFFFAOYSA,N,N-Nitrosotomatidine,SGPLNSURQYXVNX-UHFFFAOYSA-N
HMDB34103,1033.545758723,C50H83NO21,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1,"InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3",REJLGAUYTKNVJM,UHFFFAOYSA,N,Tomatine,REJLGAUYTKNVJM-UHFFFAOYSA-N
HMDB34104,624.31993715,C38H44N2O6,COC1=CC=C(CC2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=CC(OC)=C(OC)C=C56)=C4)C=C23)C=C1,"InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-19-25(9-12-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3",MIBATSHDJRIUJK,UHFFFAOYSA,N,Neferine,MIBATSHDJRIUJK-UHFFFAOYSA-N
HMDB34105,272.068473494,C15H12O5,OC1=CC2=C(C=C1)C1(O)COC3=C(C=CC(O)=C3)C1O2,"InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2",QMXOFBXZEKTJIK,UHFFFAOYSA,N,Glycinol,QMXOFBXZEKTJIK-UHFFFAOYSA-N
HMDB34106,72.998619791,C2H3NS,CN=C=S,InChI=1S/C2H3NS/c1-3-2-4/h1H3,LGDSHSYDSCRFAB,UHFFFAOYSA,N,Methyl isothiocyanate,LGDSHSYDSCRFAB-UHFFFAOYSA-N
HMDB34107,134.073164942,C9H10O,OC1=CC=C(CC=C)C=C1,"InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2",RGIBXDHONMXTLI,UHFFFAOYSA,N,Chavicol,RGIBXDHONMXTLI-UHFFFAOYSA-N
HMDB34108,915.519150043,C46H77NO17,CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)\C=C\C(\C)=C\C1COC1OC(C)C(O)C(OC)C1OC,"InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+",WBPYTXDJUQJLPQ,LLMNDNAOSA,N,Tylosin,WBPYTXDJUQJLPQ-LLMNDNAOSA-N
HMDB34109,328.094688244,C18H16O6,CCCC1OC2CC(=O)OC2C2=C1C(=O)C1=C(C=CC=C1O)C2=O,"InChI=1S/C18H16O6/c1-2-4-10-14-15(18-11(23-10)7-12(20)24-18)16(21)8-5-3-6-9(19)13(8)17(14)22/h3,5-6,10-11,18-19H,2,4,7H2,1H3",AVCPRTNVVRPELB,UHFFFAOYSA,N,Frenolicin B,AVCPRTNVVRPELB-UHFFFAOYSA-N
HMDB34110,277.110278729,C18H15NO2,CC1(C)OC2=C(C=O)C=C3C(NC4=CC=CC=C34)=C2C=C1,"InChI=1S/C18H15NO2/c1-18(2)8-7-13-16-14(9-11(10-20)17(13)21-18)12-5-3-4-6-15(12)19-16/h3-10,19H,1-2H3",UBTAPPWQYRWQOH,UHFFFAOYSA,N,Murrayacine,UBTAPPWQYRWQOH-UHFFFAOYSA-N
HMDB34111,354.110338308,C20H18O6,CC(C)(O)C1=CC2=CC3=C(OCC4(O)C3OC3=C4C=CC(O)=C3)C=C2O1,"InChI=1S/C20H18O6/c1-19(2,22)17-6-10-5-12-15(8-14(10)25-17)24-9-20(23)13-4-3-11(21)7-16(13)26-18(12)20/h3-8,18,21-23H,9H2,1-2H3",FLURXOFTUKXKQN,UHFFFAOYSA,N,Glyceofuran,FLURXOFTUKXKQN-UHFFFAOYSA-N
HMDB34112,368.125988372,C21H20O6,COC1=CC2=C(C=C1)C1(O)COC3=C(C=C4C=C(OC4=C3)C(C)(C)O)C1O2,"InChI=1S/C21H20O6/c1-20(2,22)18-7-11-6-13-16(9-15(11)26-18)25-10-21(23)14-5-4-12(24-3)8-17(14)27-19(13)21/h4-9,19,22-23H,10H2,1-3H3",XRYDGCQYNMEJEL,UHFFFAOYSA,N,9-O-Methylglyceofuran,XRYDGCQYNMEJEL-UHFFFAOYSA-N
HMDB34113,452.059090598,C19H16O13,OC1OCC2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1O,"InChI=1S/C19H16O13/c20-6-1-4-9(13(24)11(6)22)10-5(2-7(21)12(23)14(10)25)18(28)32-16-8(31-17(4)27)3-30-19(29)15(16)26/h1-2,8,15-16,19-26,29H,3H2",ZKBLUASIGJJVPP,UHFFFAOYSA,N,"3,4-Hexahydroxydiphenoylarabinose",ZKBLUASIGJJVPP-UHFFFAOYSA-N
HMDB34114,286.084123558,C16H14O5,COC1=CC2=C(C=C1)C1OC3=C(C=CC(O)=C3)C1(O)CO2,"InChI=1S/C16H14O5/c1-19-10-3-4-11-13(7-10)20-8-16(18)12-5-2-9(17)6-14(12)21-15(11)16/h2-7,15,17-18H,8H2,1H3",MENGTHFLVHDIFW,UHFFFAOYSA,N,6alpha-Hydroxyisomedicarpin,MENGTHFLVHDIFW-UHFFFAOYSA-N
HMDB34115,286.084123558,C16H14O5,COC1=CC2=C(C=C1)C1(O)COC3=C(C=CC(O)=C3)C1O2,"InChI=1S/C16H14O5/c1-19-10-3-5-12-14(7-10)21-15-11-4-2-9(17)6-13(11)20-8-16(12,15)18/h2-7,15,17-18H,8H2,1H3",SXKBOSYKWYQHMV,UHFFFAOYSA,N,6alpha-Hydroxymedicarpin,SXKBOSYKWYQHMV-UHFFFAOYSA-N
HMDB34116,300.099773622,C17H16O5,COC1=CC2=C(C=C1)C1(O)COC3=C(C=CC(OC)=C3)C1O2,"InChI=1S/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3",VVPGAJNPGZZNBM,UHFFFAOYSA,N,Homopisatin,VVPGAJNPGZZNBM-UHFFFAOYSA-N
HMDB34117,404.147117744,C21H24O8,COC1=CC=C(\C=C/C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C=C1,"InChI=1S/C21H24O8/c1-27-15-6-4-12(5-7-15)2-3-13-8-14(23)10-16(9-13)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2-",MFMQRDLLSRLUJY,IHWYPQMZSA,N,(E)-4'-Methylresveratrol 3-glucoside,MFMQRDLLSRLUJY-IHWYPQMZSA-N
HMDB34118,228.078644246,C14H12O3,[H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1,"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-",LUKBXSAWLPMMSZ,UPHRSURJSA,N,(Z)-Resveratrol,LUKBXSAWLPMMSZ-UPHRSURJSA-N
HMDB34119,370.10525293,C20H18O7,C1OC2=C(O1)C=C(OC1OCC3C1COC3C1=CC3=C(OCO3)C=C1)C=C2,"InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2",ZZMNWJVJUKMZJY,UHFFFAOYSA,N,Sesamolin,ZZMNWJVJUKMZJY-UHFFFAOYSA-N
HMDB34120,442.18389718,C21H30O10,CC1OC(OCC2OC(OC3=CC=C(CC=C)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C21H30O10/c1-3-4-11-5-7-12(8-6-11)30-21-19(27)17(25)15(23)13(31-21)9-28-20-18(26)16(24)14(22)10(2)29-20/h3,5-8,10,13-27H,1,4,9H2,2H3",DAELTTGCCPRYTP,UHFFFAOYSA,N,Lusitanicoside,DAELTTGCCPRYTP-UHFFFAOYSA-N
HMDB34121,148.088815006,C10H12O,COC1=CC=C(CC=C)C=C1,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",ZFMSMUAANRJZFM,UHFFFAOYSA,N,1-Methoxy-4-(2-propenyl)benzene,ZFMSMUAANRJZFM-UHFFFAOYSA-N
HMDB34122,206.094294314,C12H14O3,COC1=C(OC(C)=O)C=CC(CC=C)=C1,"InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3",SCCDQYPEOIRVGX,UHFFFAOYSA,N,Aceteugenol,SCCDQYPEOIRVGX-UHFFFAOYSA-N
HMDB34123,248.141244506,C15H20O3,COC1=C(OC(=O)CC(C)C)C=CC(CC=C)=C1,"InChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3",PLUVLWUSXQCTNH,UHFFFAOYSA,N,Eugenyl isovalerate,PLUVLWUSXQCTNH-UHFFFAOYSA-N
HMDB34124,290.07903818,C15H14O6,COC1=C2C(O)=C3C(=O)CC(C)(O)OC3=CC2=CC(O)=C1,"InChI=1S/C15H14O6/c1-15(19)6-9(17)13-11(21-15)4-7-3-8(16)5-10(20-2)12(7)14(13)18/h3-5,16,18-19H,6H2,1-2H3",FKCYENFBFZUSDP,UHFFFAOYSA,N,Fonsecin,FKCYENFBFZUSDP-UHFFFAOYSA-N
HMDB34125,354.1103383,C20H18O6,CC(C)=CCC1=C(O)C(=CC=C1O)C1=COC2=C(C(O)=CC(O)=C2)C1=O,"InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3",KCUZCRLRQVRBBV,UHFFFAOYSA,N,Licoisoflavone A,KCUZCRLRQVRBBV-UHFFFAOYSA-N
HMDB34126,296.068473494,C17H12O5,OC1=C(C(=O)C(C1=O)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C17H12O5/c18-11-5-1-9(2-6-11)13-15(20)14(17(22)16(13)21)10-3-7-12(19)8-4-10/h1-8,13,18-19,22H",DIFAFZFNMSLGGN,UHFFFAOYSA,N,Gyrocyanin,DIFAFZFNMSLGGN-UHFFFAOYSA-N
HMDB34127,284.068473486,C16H12O5,COC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",KQMVAGISDHMXJJ,UHFFFAOYSA,N,Prunetin,KQMVAGISDHMXJJ-UHFFFAOYSA-N
HMDB34128,200.177630012,C12H24O2,CCCCCCCCC(=O)OC(C)C,"InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3",DVFZGWDMFKTMFQ,UHFFFAOYSA,N,Isopropyl nonanoate,DVFZGWDMFKTMFQ-UHFFFAOYSA-N
HMDB34129,336.063388116,C19H12O6,COC1=CC2=C(OCO2)C=C1C1=COC2=C(C=C3C=COC3=C2)C1=O,"InChI=1S/C19H12O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-8H,9H2,1H3",HTTTWVGBBAOUEM,UHFFFAOYSA,N,Dehydroneotenone,HTTTWVGBBAOUEM-UHFFFAOYSA-N
HMDB34130,230.094294314,C14H14O3,CC(C)=CCC1=C(O)C=CC2=C1OC(=O)C=C2,"InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3",RAKJVIPCCGXHHS,UHFFFAOYSA,N,Osthenol,RAKJVIPCCGXHHS-UHFFFAOYSA-N
HMDB34131,270.255880332,C17H34O2,CCCCCCCCCOC(=O)CCCCCCC,"InChI=1S/C17H34O2/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h3-16H2,1-2H3",HSGQXSBXGSRINJ,UHFFFAOYSA,N,Nonyl octanoate,HSGQXSBXGSRINJ-UHFFFAOYSA-N
HMDB34132,274.120509064,C16H18O4,COC1=CC2=C(C=C1OC)C=C(C(=O)O2)C(C)(C)C=C,"InChI=1S/C16H18O4/c1-6-16(2,3)11-7-10-8-13(18-4)14(19-5)9-12(10)20-15(11)17/h6-9H,1H2,2-5H3",IPLJDPYEDULBAK,UHFFFAOYSA,N,Rutacultin,IPLJDPYEDULBAK-UHFFFAOYSA-N
HMDB34133,260.104859,C15H16O4,COC1=CC2=C(OC(=O)C(=C2)C(C)(C)C=C)C=C1O,"InChI=1S/C15H16O4/c1-5-15(2,3)10-6-9-7-13(18-4)11(16)8-12(9)19-14(10)17/h5-8,16H,1H2,2-4H3",NEUWPSXOYGGGFO,UHFFFAOYSA,N,"3-(1,1-Dimethylallyl)scopoletin",NEUWPSXOYGGGFO-UHFFFAOYSA-N
HMDB34134,186.161979948,C11H22O2,CCCCCCCCOC(=O)CC,"InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3",CEQGYPPMTKWBIU,UHFFFAOYSA,N,Octyl propanoate,CEQGYPPMTKWBIU-UHFFFAOYSA-N
HMDB34135,206.094294314,C12H14O3,COC1=C(OC(C)=O)C=CC(\C=C/C)=C1,"InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4-",IUSBVFZKQJGVEP,PLNGDYQASA,N,Isoeugenol acetate,IUSBVFZKQJGVEP-PLNGDYQASA-N
HMDB34136,200.177630012,C12H24O2,CCCCCCCCOC(=O)CCC,"InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3",PWLNAUNEAKQYLH,UHFFFAOYSA,N,Octyl butanoate,PWLNAUNEAKQYLH-UHFFFAOYSA-N
HMDB34137,200.177630012,C12H24O2,CCCCCCCCOC(=O)C(C)C,"InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3",PQCYCHFQWMNQRJ,UHFFFAOYSA,N,Octyl 2-methylpropanoate,PQCYCHFQWMNQRJ-UHFFFAOYSA-N
HMDB34138,284.032087988,C15H8O6,OC1=CC2=C(C=C1)C1=C(C3=C(O)C=C(O)C=C3O1)C(=O)O2,"InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)21-15(19)13-12-9(18)3-7(17)5-11(12)20-14(8)13/h1-5,16-18H",CFUAZBGEKBTCSH,UHFFFAOYSA,N,Repensol,CFUAZBGEKBTCSH-UHFFFAOYSA-N
HMDB34139,298.047738052,C16H10O6,COC1=CC(O)=C2C(OC3=C2C(=O)OC2=C3C=CC(O)=C2)=C1,"InChI=1S/C16H10O6/c1-20-8-5-10(18)13-12(6-8)21-15-9-3-2-7(17)4-11(9)22-16(19)14(13)15/h2-6,17-18H,1H3",YFVNQUXNYCREJW,UHFFFAOYSA,N,Trifoliol,YFVNQUXNYCREJW-UHFFFAOYSA-N
HMDB34140,214.193280076,C13H26O2,CCCCCCCCOC(=O)CC(C)C,"InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3",FUBGRVHGQADOJI,UHFFFAOYSA,N,Octyl 3-methylbutanoate,FUBGRVHGQADOJI-UHFFFAOYSA-N
HMDB34141,368.089602866,C20H16O7,COC1=C(OC)C=C2C(OCC3OC4=C(C=C5C=COC5=C4)C(=O)C23O)=C1,"InChI=1S/C20H16O7/c1-23-16-6-12-15(8-17(16)24-2)26-9-18-20(12,22)19(21)11-5-10-3-4-25-13(10)7-14(11)27-18/h3-8,18,22H,9H2,1-2H3",SXKFYDWIBCRCRI,UHFFFAOYSA,N,12alpha-Hydroxyerosone,SXKFYDWIBCRCRI-UHFFFAOYSA-N
HMDB34142,398.20932407,C24H30O5,CCCCCC1=CC(=O)OC2=C3C=CC(C)(C)OC3=C(C(=O)CC(C)C)C(O)=C12,"InChI=1S/C24H30O5/c1-6-7-8-9-15-13-18(26)28-22-16-10-11-24(4,5)29-23(16)20(21(27)19(15)22)17(25)12-14(2)3/h10-11,13-14,27H,6-9,12H2,1-5H3",UIZLWUQKSKSCTK,UHFFFAOYSA,N,"5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one",UIZLWUQKSKSCTK-UHFFFAOYSA-N
HMDB34143,436.152203122,C25H24O7,CC(C)=CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(CO)O3)C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C25H24O7/c1-13(2)4-6-17-22(30)21-19(29)11-20-16(8-9-25(3,12-26)32-20)24(21)31-23(17)15-7-5-14(27)10-18(15)28/h4-5,7-11,26-29H,6,12H2,1-3H3",PUYSPXIEVCRSAN,UHFFFAOYSA,N,Albanin B,PUYSPXIEVCRSAN-UHFFFAOYSA-N
HMDB34144,258.089208936,C15H14O4,COC1=CC=C(\C=C\C2=CC(OC)=CC(=O)O2)C=C1,"InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+",XLHIYUYCSMZCCC,VMPITWQZSA,N,Yangonin,XLHIYUYCSMZCCC-VMPITWQZSA-N
HMDB34145,410.136553058,C23H22O7,[H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1(O)C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C,"InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1",JFVKWCYZKMUTLH,AYPBNUJASA,N,(-)-cis-Rotenolone,JFVKWCYZKMUTLH-AYPBNUJASA-N
HMDB34146,283.287514811,C18H37NO,CCCCCCCCCCCCCCCCCC(N)=O,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",LYRFLYHAGKPMFH,UHFFFAOYSA,N,Octadecanamide,LYRFLYHAGKPMFH-UHFFFAOYSA-N
HMDB34147,913.203862618,C42H41O23,OC1C(COC(=O)\C=C/C2=CC=C(O)C=C2)OC(OC2=CC3=C(OC4OC(COC(=O)CC(O)=O)C(OC(=O)CC(O)=O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C42H40O23/c43-20-6-1-18(2-7-20)3-10-31(50)58-16-27-34(53)35(54)37(56)41(63-27)62-26-13-23-24(60-39(26)19-4-8-21(44)9-5-19)11-22(45)12-25(23)61-42-38(57)36(55)40(65-33(52)15-30(48)49)28(64-42)17-59-32(51)14-29(46)47/h1-13,27-28,34-38,40-42,53-57H,14-17H2,(H4-,43,44,45,46,47,48,49,50)/p+1",HOQNHEQPPFYHLF,UHFFFAOYSA,O,Monardaein,HOQNHEQPPFYHLF-UHFFFAOYSA-O
HMDB34148,198.198365454,C13H26O,CCCCCCCCCCCC(C)=O,"InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3",CYIFVRUOHKNECG,UHFFFAOYSA,N,2-Tridecanone,CYIFVRUOHKNECG-UHFFFAOYSA-N
HMDB34149,446.121296924,C22H22O10,COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3",OFUWGCQDMVDLIR,UHFFFAOYSA,N,Prunitrin,OFUWGCQDMVDLIR-UHFFFAOYSA-N
HMDB34150,286.047738052,C15H10O6,OC1=CC(O)=C2C(=O)\C(OC2=C1)=C/C1=CC(O)=C(O)C=C1,"InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4+",WBEFUVAYFSOUEA,YIXHJXPBSA,N,Cernuine,WBEFUVAYFSOUEA-YIXHJXPBSA-N
HMDB34151,188.177630012,C11H24O2,CCCCCCCCC(OC)OC,"InChI=1S/C11H24O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-10H2,1-3H3",LYLVOCPDQAOQKL,UHFFFAOYSA,N,"1,1-Dimethoxynonane",LYLVOCPDQAOQKL-UHFFFAOYSA-N
HMDB34152,142.135765198,C9H18O,CCCCCCC(O)C=C,"InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3",DWUPJMHAPOQKGJ,UHFFFAOYSA,N,1-Nonen-3-ol,DWUPJMHAPOQKGJ-UHFFFAOYSA-N
HMDB34153,256.240230268,C16H32O2,CCCCCCCCCCCCCC(=O)OCC,"InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3",MMKRHZKQPFCLLS,UHFFFAOYSA,N,Ethyl tetradecanoate,MMKRHZKQPFCLLS-UHFFFAOYSA-N
HMDB34154,298.28718046,C19H38O2,CCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3",HPEUJPJOZXNMSJ,UHFFFAOYSA,N,Methyl stearate,HPEUJPJOZXNMSJ-UHFFFAOYSA-N
HMDB34155,76.009518828,CH4N2S,NC(N)=S,"InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)",UMGDCJDMYOKAJW,UHFFFAOYSA,N,Thiourea,UMGDCJDMYOKAJW-UHFFFAOYSA-N
HMDB34156,312.302830524,C20H40O2,CCCCCCCCCCCCCCCCCC(=O)OCC,"InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3",MVLVMROFTAUDAG,UHFFFAOYSA,N,Ethyl stearate,MVLVMROFTAUDAG-UHFFFAOYSA-N
HMDB34157,416.13186161,C18H24O11,OC1COC(OCC2OC(OC3=CC=CC=C3C=O)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C18H24O11/c19-5-8-3-1-2-4-10(8)28-18-16(25)14(23)13(22)11(29-18)7-27-17-15(24)12(21)9(20)6-26-17/h1-5,9,11-18,20-25H,6-7H2",DSDFXGQRZAFFQA,UHFFFAOYSA,N,2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside],DSDFXGQRZAFFQA-UHFFFAOYSA-N
HMDB34158,154.062994186,C8H10O3,COC1=CC=CC(OC)=C1O,"InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3",KLIDCXVFHGNTTM,UHFFFAOYSA,N,"2,6-Dimethoxyphenol",KLIDCXVFHGNTTM-UHFFFAOYSA-N
HMDB34159,402.225368064,C20H34O8,CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC,"InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3",QZCLKYGREBVARF,UHFFFAOYSA,N,Acetyl tributyl citrate,QZCLKYGREBVARF-UHFFFAOYSA-N
HMDB34160,198.161979948,C12H22O2,CC(CCOC(C)=O)CCC=C(C)C,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3",JOZKFWLRHCDGJA,UHFFFAOYSA,N,(±)-Citronellyl acetate,JOZKFWLRHCDGJA-UHFFFAOYSA-N
HMDB34161,144.115029756,C8H16O2,CCCC(=O)OCC(C)C,"InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3",RGFNRWTWDWVHDD,UHFFFAOYSA,N,2-Methylpropyl butanoate,RGFNRWTWDWVHDD-UHFFFAOYSA-N
HMDB34162,158.13067982,C9H18O2,CCCCCOC(=O)CCC,"InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3",CFNJLPHOBMVMNS,UHFFFAOYSA,N,Pentyl butanoate,CFNJLPHOBMVMNS-UHFFFAOYSA-N
HMDB34163,116.083729628,C6H12O2,CC(C)CCOC=O,"InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3",XKYICAQFSCFURC,UHFFFAOYSA,N,3-Methylbutyl formate,XKYICAQFSCFURC-UHFFFAOYSA-N
HMDB34164,144.115029756,C8H16O2,CCC(=O)OCCC(C)C,"InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3",XAOGXQMKWQFZEM,UHFFFAOYSA,N,3-Methylbutyl propanoate,XAOGXQMKWQFZEM-UHFFFAOYSA-N
HMDB34165,158.13067982,C9H18O2,CCCCCC(=O)OCCC,"InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3",HTUIWRWYYVBCFT,UHFFFAOYSA,N,Propyl hexanoate,HTUIWRWYYVBCFT-UHFFFAOYSA-N
HMDB34166,130.099379692,C7H14O2,CCC(C)COC(C)=O,"InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3",XHIUFYZDQBSEMF,UHFFFAOYSA,N,2-Methylbutyl acetate,XHIUFYZDQBSEMF-UHFFFAOYSA-N
HMDB34167,302.188194698,C19H26O3,CCCCCCC\C=C\C(O)C#CC#CC(OC(C)=O)C=C,"InChI=1S/C19H26O3/c1-4-6-7-8-9-10-11-14-18(21)15-12-13-16-19(5-2)22-17(3)20/h5,11,14,18-19,21H,2,4,6-10H2,1,3H3/b14-11+",UZDRBZORBWOTCF,SDNWHVSQSA,N,Falcarindiol 3-acetate,UZDRBZORBWOTCF-SDNWHVSQSA-N
HMDB34168,92.062600256,C7H8,CC1=CC=CC=C1,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",YXFVVABEGXRONW,UHFFFAOYSA,N,Toluene,YXFVVABEGXRONW-UHFFFAOYSA-N
HMDB34169,165.078978601,C9H11NO2,CNC1=CC=CC=C1C(=O)OC,"InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3",GVOWHGSUZUUUDR,UHFFFAOYSA,N,Methyl N-methylanthranilate,GVOWHGSUZUUUDR-UHFFFAOYSA-N
HMDB34170,122.036779436,C7H6O2,OC1=CC=CC=C1C=O,"InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H",SMQUZDBALVYZAC,UHFFFAOYSA,N,2-Hydroxybenzaldehyde,SMQUZDBALVYZAC-UHFFFAOYSA-N
HMDB34171,117.057849229,C8H7N,N#CCC1=CC=CC=C1,"InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2",SUSQOBVLVYHIEX,UHFFFAOYSA,N,Benzeneacetonitrile,SUSQOBVLVYHIEX-UHFFFAOYSA-N
HMDB34172,152.047344122,C8H8O3,COC(=O)C1=CC=CC=C1O,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",OSWPMRLSEDHDFF,UHFFFAOYSA,N,Methyl 2-hydroxybenzoate,OSWPMRLSEDHDFF-UHFFFAOYSA-N
HMDB34173,322.120509064,C20H18O4,CC1(C)OC2=C(C=C1)C1=C(C=C2)C2COC3=C(C=CC(O)=C3)C2O1,"InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3",LWTDZKXXJRRKDG,UHFFFAOYSA,N,Phaseollin,LWTDZKXXJRRKDG-UHFFFAOYSA-N
HMDB34174,138.042927446,C6H6N2O2,OC(=O)\C=C/C1=CN=CN1,"InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1-",LOIYMIARKYCTBW,UPHRSURJSA,N,(E)-Urocanic acid,LOIYMIARKYCTBW-UPHRSURJSA-N
HMDB34175,144.068748266,C9H8N2,NC1=NC2=C(C=CC=C2)C=C1,"InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)",GCMNJUJAKQGROZ,UHFFFAOYSA,N,2-Aminoquinoline,GCMNJUJAKQGROZ-UHFFFAOYSA-N
HMDB34176,80.037448138,C4H4N2,C1=CN=CC=N1,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,KYQCOXFCLRTKLS,UHFFFAOYSA,N,Pyrazine,KYQCOXFCLRTKLS-UHFFFAOYSA-N
HMDB34177,176.120115134,C12H16O,CC(CC(C)=O)C1=CC=C(C)C=C1,"InChI=1S/C12H16O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10H,8H2,1-3H3",QPTHNVGZXBEQOJ,UHFFFAOYSA,N,(S)-4-(4-Methylphenyl)-2-pentanone,QPTHNVGZXBEQOJ-UHFFFAOYSA-N
HMDB34178,328.167459256,C20H24O4,COC1=C(O)C=C2C(C(C)C(C)CC2=C1)C1=CC(OC)=C(O)C=C1,"InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3",TZAAYUCUPIYQBR,UHFFFAOYSA,N,Guaiacin,TZAAYUCUPIYQBR-UHFFFAOYSA-N
HMDB34179,344.162373878,C20H24O5,COC1=C(O)C=CC(=C1)C1OC(C(C)C1C)C1=CC(OC)=C(O)C=C1,"InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3",GMXMKSFJQLFOSO,UHFFFAOYSA,N,Malabaricano,GMXMKSFJQLFOSO-UHFFFAOYSA-N
HMDB34180,506.100167552,C30H18O8,CC1=CC2=C(C(O)=C1)C(=O)C1=C(O)C=C(O)C3=C4C(O)=CC(O)=C5C(=O)C6=C(C=C(C)C=C6O)C(C2=C13)=C45,"InChI=1S/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,31-36H,1-2H3",YLILOANQCQKPOD,UHFFFAOYSA,N,Protohypericin,YLILOANQCQKPOD-UHFFFAOYSA-N
HMDB34181,238.229665582,C16H30O,CC1CCCCCCCCCCCCC(=O)C1,"InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3",ALHUZKCOMYUFRB,UHFFFAOYSA,N,3-Methylcyclopentadecanone,ALHUZKCOMYUFRB-UHFFFAOYSA-N
HMDB34182,342.110338308,C19H18O6,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(O)C=CC(O)=C1O2,"InChI=1S/C19H18O6/c1-9(2)4-5-10-13(24-3)8-14-16(17(10)22)18(23)15-11(20)6-7-12(21)19(15)25-14/h4,6-8,20-22H,5H2,1-3H3",AAANZTDKTFGJLZ,UHFFFAOYSA,N,"1,5,8-Trihydroxy-3-methyl-2-prenylxanthone",AAANZTDKTFGJLZ-UHFFFAOYSA-N
HMDB34183,424.224974134,C26H32O5,COC1=C(CC=C(C)C)C(O)=CC2=C1CC(CO2)C1=C(O)C(CC=C(C)C)=C(O)C=C1,"InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3",GBRZTUJCDFSIHM,UHFFFAOYSA,N,Licoricidin,GBRZTUJCDFSIHM-UHFFFAOYSA-N
HMDB34184,438.240624198,C27H34O5,COC1=CC2=C(CC(CO2)C2=C(O)C(CC=C(C)C)=C(O)C=C2)C(OC)=C1CC=C(C)C,"InChI=1S/C27H34O5/c1-16(2)7-9-20-23(28)12-11-19(26(20)29)18-13-22-25(32-15-18)14-24(30-5)21(27(22)31-6)10-8-17(3)4/h7-8,11-12,14,18,28-29H,9-10,13,15H2,1-6H3",GDAAEAXMNLVRCZ,UHFFFAOYSA,N,Licorisoflavan A,GDAAEAXMNLVRCZ-UHFFFAOYSA-N
HMDB34185,576.438989652,C35H60O6,CCC(CCC(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h11,20-24,26-33,36-39H,7-10,12-19H2,1-6H3",XWPUVGRUJWXYTP,UHFFFAOYSA,N,Schottenol 3-glucoside,XWPUVGRUJWXYTP-UHFFFAOYSA-N
HMDB34186,328.094688244,C18H16O6,CC(C)=CCC1=C(O)C2=C(OC3=C(O)C=CC(O)=C3C2=O)C=C1O,"InChI=1S/C18H16O6/c1-8(2)3-4-9-12(21)7-13-15(16(9)22)17(23)14-10(19)5-6-11(20)18(14)24-13/h3,5-7,19-22H,4H2,1-2H3",AQSBDDHXYVQYHC,UHFFFAOYSA,N,Morusignin B,AQSBDDHXYVQYHC-UHFFFAOYSA-N
HMDB34187,920.49808025,C45H76O19,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3",SORUXVRKWOHYEO,UHFFFAOYSA,N,Melongoside N,SORUXVRKWOHYEO-UHFFFAOYSA-N
HMDB34188,324.136159128,C20H20O4,CC1(C)OC2=C(C=C1)C1=C(CC(CO1)C1=C(O)C=C(O)C=C1)C=C2,"InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3",LBQIJVLKGVZRIW,UHFFFAOYSA,N,(R)-Glabridin,LBQIJVLKGVZRIW-UHFFFAOYSA-N
HMDB34189,446.303224454,C27H42O5,CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(CO)(CO)O1,"InChI=1S/C27H42O5/c1-16-23-22(31-27(16)11-10-26(14-28,15-29)32-27)13-21-19-5-4-17-12-18(30)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3",ALWIMEGFKSOEQI,UHFFFAOYSA,N,Taccagenin,ALWIMEGFKSOEQI-UHFFFAOYSA-N
HMDB34190,440.401816286,C31H52O,C\C=C(\CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC4(C)C3=CCC12C)C(C)C,"InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h9,15,20-22,24-25,27-28,32H,10-14,16-19H2,1-8H3/b23-9-",ZIZODWXWMZVEEM,AQHIEDMUSA,N,"(3beta,4alpha,5alpha,24(28)Z)-4,14-Dimethylstigmasta-9(11),24(28)-dien-3-ol",ZIZODWXWMZVEEM-AQHIEDMUSA-N
HMDB34191,520.267232878,C28H40O9,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(O)C4(O)C(O)C=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H40O9/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-20(31)28(36)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30-31,33-36H,8-13H2,1-5H3",XLUKITCTLVOOAW,UHFFFAOYSA,N,Withaperuvin B,XLUKITCTLVOOAW-UHFFFAOYSA-N
HMDB34192,396.302830524,C27H40O2,[H][C@@]1(C)CC[C@]2(O[C@H]3CC4C5CC=C6C=CCC[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C)OC1,"InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20?,21?,22?,23+,24+,25+,26+,27-/m1/s1",YEQBGJNMHDZXRG,UBRUKMDESA,N,"delta3,5-Deoxytigogenin",YEQBGJNMHDZXRG-UBRUKMDESA-N
HMDB34193,486.26175357,C28H38O7,CC(O)(C1CCC2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(=O)O1,"InChI=1S/C28H38O7/c1-23-11-10-16-14(12-20-28(34-20)19(30)9-8-18(29)25(16,28)3)15(23)6-7-17(23)26(4,32)21-13-24(2)27(5,35-24)22(31)33-21/h8-9,14-17,19-21,30,32H,6-7,10-13H2,1-5H3",XSDOAUFXJBFVLE,UHFFFAOYSA,N,"24,25-Epoxywithanolide D",XSDOAUFXJBFVLE-UHFFFAOYSA-N
HMDB34194,595.408417805,C33H57NO8,CC(CCC1(O)OC2CC3C4CCC5CC(N)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C33H57NO8/c1-17(16-40-30-29(38)28(37)27(36)25(15-35)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(34)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,35-39H,5-16,34H2,1-4H3",YEWUMIMAJWFDQG,UHFFFAOYSA,N,Jurubine,YEWUMIMAJWFDQG-UHFFFAOYSA-N
HMDB34195,712.330620994,C35H52O15,CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C35H52O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,15-16,18-22,24-31,36,39-45H,3-10,12-14H2,1-2H3",CAYUJEAJKPLCAV,UHFFFAOYSA,N,Convalloside,CAYUJEAJKPLCAV-UHFFFAOYSA-N
HMDB34196,410.354866094,C29H46O,CCC(\C=C\C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)=C,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,20-23,25-27,30H,2,7,10,12-18H2,1,3-6H3/b9-8+",IMWBKGMKWXIXEQ,CMDGGOBGSA,N,"(3beta,5alpha,22E,24S)-Stigmasta-7,22,25-trien-3-ol",IMWBKGMKWXIXEQ-CMDGGOBGSA-N
HMDB34197,412.370516166,C29H48O,CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)=C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3",GHGKPLPBPGYSOO,UHFFFAOYSA,N,Clerosterol,GHGKPLPBPGYSOO-UHFFFAOYSA-N
HMDB34198,73.089149357,C4H11N,CC(C)CN,"InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3",KDSNLYIMUZNERS,UHFFFAOYSA,N,2-Methyl-1-propylamine,KDSNLYIMUZNERS-UHFFFAOYSA-N
HMDB34199,398.354866094,C28H46O,CC(C)C(\C)=C\C[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,9,18,20,22-26,29H,8,10-17H2,1-6H3/b19-7+/t20-,22+,23?,24-,25?,26?,27+,28-/m1/s1",CRJHBQFJDHZHGO,QTKXVCRCSA,N,"3beta-Ergosta-5,23-dien-3-ol",CRJHBQFJDHZHGO-QTKXVCRCSA-N
HMDB34200,500.31378914,C30H44O6,CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C12C,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3",ANGCIHCSPJLGME,UHFFFAOYSA,N,Physalolactone B,ANGCIHCSPJLGME-UHFFFAOYSA-N
HMDB34201,662.36661257,C36H54O11,CC(=O)OC1CC(CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H54O11/c1-17-13-28(47-32(42)18(17)2)36(6,43)26-10-9-23-22-8-7-20-14-21(45-33-31(41)30(40)29(39)25(16-37)46-33)15-27(44-19(3)38)35(20,5)24(22)11-12-34(23,26)4/h7,21-31,33,37,39-41,43H,8-16H2,1-6H3",OWQMNZPAYJJMMA,UHFFFAOYSA,N,Physalolactone B 3-glucoside,OWQMNZPAYJJMMA-UHFFFAOYSA-N
HMDB34202,867.498020671,C45H73NO15,CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3",ZGVSETXHNHBTRK,UHFFFAOYSA,N,alpha-Solanine,ZGVSETXHNHBTRK-UHFFFAOYSA-N
HMDB34203,115.099714043,C6H13NO,CC(C)CNC(C)=O,"InChI=1S/C6H13NO/c1-5(2)4-7-6(3)8/h5H,4H2,1-3H3,(H,7,8)",VDQMVRFHUYAKJL,UHFFFAOYSA,N,N-(2-Methylpropyl)acetamide,VDQMVRFHUYAKJL-UHFFFAOYSA-N
HMDB34204,574.423339588,C35H58O6,CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)=C,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,21-22,24-33,36-39H,2,7-9,11-19H2,1,3-6H3",FKZKAGYCKXYXKP,UHFFFAOYSA,N,Clerosterol 3-glucoside,FKZKAGYCKXYXKP-UHFFFAOYSA-N
HMDB34205,1017.550844101,C50H83NO20,CC1C2CCC(C)CN2C2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C50H83NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h20-48,52-63H,5-19H2,1-4H3",KWRYHKRVKRBBBU,UHFFFAOYSA,N,Demissine,KWRYHKRVKRBBBU-UHFFFAOYSA-N
HMDB34206,194.094294314,C11H14O3,CCOC(=O)COC1=CC=C(C)C=C1,"InChI=1S/C11H14O3/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3",UMNOIMVMNARUSB,UHFFFAOYSA,N,Ethyl 4-methylphenoxyacetate,UMNOIMVMNARUSB-UHFFFAOYSA-N
HMDB34207,393.163496089,C16H27NO10,CCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C#N,"InChI=1S/C16H27NO10/c1-3-16(2,6-17)27-15-13(23)11(21)10(20)8(26-15)5-24-14-12(22)9(19)7(4-18)25-14/h7-15,18-23H,3-5H2,1-2H3",NUKMOAMTVXXKKG,UHFFFAOYSA,N,6'-Apiosyllotaustralin,NUKMOAMTVXXKKG-UHFFFAOYSA-N
HMDB34208,115.063328537,C5H9NO2,COC1CCC(=O)N1,"InChI=1S/C5H9NO2/c1-8-5-3-2-4(7)6-5/h5H,2-3H2,1H3,(H,6,7)",VULIHENHKGDFAB,UHFFFAOYSA,N,Pterolactam,VULIHENHKGDFAB-UHFFFAOYSA-N
HMDB34209,232.0306482,C11H8N2O2S,COC1=NC(=O)C2=C(NC3=C2C=CC=C3)S1,"InChI=1S/C11H8N2O2S/c1-15-11-13-9(14)8-6-4-2-3-5-7(6)12-10(8)16-11/h2-5,12H,1H3",YCFLCHMHGBXTCU,UHFFFAOYSA,N,Cyclobrassinone,YCFLCHMHGBXTCU-UHFFFAOYSA-N
HMDB34210,194.178298714,C12H22N2,CCCCCCCCCC1=NNC=C1,"InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-10-11-13-14-12/h10-11H,2-9H2,1H3,(H,13,14)",DAVDEZKGACPNHN,UHFFFAOYSA,N,3-Nonyl-1H-pyrazole,DAVDEZKGACPNHN-UHFFFAOYSA-N
HMDB34211,754.413956692,C39H62O14,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C39H62O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h17-26,28-36,40-41,43-47H,5-16H2,1-4H3",YEKZYRCPUZIPAI,UHFFFAOYSA,N,Agavoside B,YEKZYRCPUZIPAI-UHFFFAOYSA-N
HMDB34212,230.094294314,C14H14O3,COC1=CC(=O)OC(C1)\C=C/C1=CC=CC=C1,"InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7-",XEAQIWGXBXCYFX,FPLPWBNLSA,N,(R)-Kawain,XEAQIWGXBXCYFX-FPLPWBNLSA-N
HMDB34213,356.125988372,C20H20O6,CC(C)=CCC1=C2OCC(C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3",MERHMOCEIBOOMA,UHFFFAOYSA,N,Kievitone,MERHMOCEIBOOMA-UHFFFAOYSA-N
HMDB34214,340.13107375,C20H20O5,CC(C)=CCC1=C(O)C=CC2=C1OCC(C2=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-15-19(24)16(10-25-20(14)15)13-6-4-12(21)9-18(13)23/h3-4,6-9,16,21-23H,5,10H2,1-2H3",JIJYZALGIIQXKE,UHFFFAOYSA,N,5-Deoxykievitone,JIJYZALGIIQXKE-UHFFFAOYSA-N
HMDB34215,313.309312885,C18H39N3O,CCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C,"InChI=1S/C18H39N3O/c1-6-7-8-13-18(22)21(16-11-9-14-19(2)3)17-12-10-15-20(4)5/h6-17H2,1-5H3",KKYYJGJYEAKUMS,UHFFFAOYSA,N,Solacaproine,KKYYJGJYEAKUMS-UHFFFAOYSA-N
HMDB34216,500.336255916,C28H44N4O4,CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C)C(OC2=CC=C(C=C2)\C=C/NC1=O)C(C)C,"InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-",OMVRKRVDDRUXPW,PFONDFGASA,N,Adouetine X,OMVRKRVDDRUXPW-PFONDFGASA-N
HMDB34217,198.079312952,C12H10N2O,CC1=C2NC3=C(C=CC(O)=C3)C2=CC=N1,"InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3",SATMZMMKDDTOSQ,UHFFFAOYSA,N,Harmol,SATMZMMKDDTOSQ-UHFFFAOYSA-N
HMDB34218,358.10525293,C19H18O7,COC1=C(OC)C(OC)=C2C(=O)C3=C(C=C(C)C(O)=C3OC)C(=O)C2=C1,"InChI=1S/C19H18O7/c1-8-6-9-12(18(25-4)14(8)20)16(22)13-10(15(9)21)7-11(23-2)17(24-3)19(13)26-5/h6-7,20H,1-5H3",ZMDXTRSTKHTSCE,UHFFFAOYSA,N,Chrysoobtusin,ZMDXTRSTKHTSCE-UHFFFAOYSA-N
HMDB34219,194.07903818,C7H14O6,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1",DSCFFEYYQKSRSV,KLJZZCKASA,N,D-Pinitol,DSCFFEYYQKSRSV-KLJZZCKASA-N
HMDB34220,180.063388116,C6H12O6,O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1",CDAISMWEOUEBRE,LKPKBOIGSA,N,Levoinositol,CDAISMWEOUEBRE-LKPKBOIGSA-N
HMDB34221,194.07903818,C7H14O6,CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6+,7-/m0/s1",DSCFFEYYQKSRSV,FIZWYUIZSA,N,L-Quebrachitol,DSCFFEYYQKSRSV-FIZWYUIZSA-N
HMDB34222,194.07903818,C7H14O6,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1",DSCFFEYYQKSRSV,KLJZZCKASA,N,L-Pinitol,DSCFFEYYQKSRSV-KLJZZCKASA-N
HMDB34223,390.116211546,C16H22O11,CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,"InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1",LPTITAGPBXDDGR,IBEHDNSVSA,N,"2,3,4,5,6-Penta-O-acetyl-D-glucose",LPTITAGPBXDDGR-IBEHDNSVSA-N
HMDB34224,400.370516166,C28H48O,CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3",SGNBVLSWZMBQTH,UHFFFAOYSA,N,Dihydrobrassicasterol,SGNBVLSWZMBQTH-UHFFFAOYSA-N
HMDB34225,380.198759384,C24H28O4,CCC\C=C1/OC(=O)C2=C1CCC1C3CCC4(C21)\C(OC(=O)C4=C3)=C\CCC,"InChI=1S/C24H28O4/c1-3-5-7-18-16-10-9-15-14-11-12-24(21(15)20(16)23(26)27-18)17(13-14)22(25)28-19(24)8-6-4-2/h7-8,13-15,21H,3-6,9-12H2,1-2H3/b18-7-,19-8-",UBBRXVRQZJSDAK,DZWUWFSDSA,N,Levistolide A,UBBRXVRQZJSDAK-DZWUWFSDSA-N
HMDB34227,472.39164553,C31H52O3,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1,"InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3",ZAKOWWREFLAJOT,UHFFFAOYSA,N,alpha-Tocopherol acetate,ZAKOWWREFLAJOT-UHFFFAOYSA-N
HMDB34228,228.00271889,C8H8N2O2S2,CN1C(=O)C(NC(C)=O)=C2SSC=C12,"InChI=1S/C8H8N2O2S2/c1-4(11)9-6-7-5(3-13-14-7)10(2)8(6)12/h3H,1-2H3,(H,9,11)",MHMRAFONCSQAIA,UHFFFAOYSA,N,Thiolutin,MHMRAFONCSQAIA-UHFFFAOYSA-N
HMDB34229,527.232638285,C20H37N3O13,CNC1CC(N)C(O)C(OC2OC(CO)C(O)C3OC4(OC23)OC(C(N)CO)C(O)C(O)C4O)C1O,"InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3",GRRNUXAQVGOGFE,UHFFFAOYSA,N,Hygromycin B,GRRNUXAQVGOGFE-UHFFFAOYSA-N
HMDB34230,142.062994186,C7H10O3,COC1=C(C)OC(C)C1=O,"InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3",SIMKGHMLPVDSJE,UHFFFAOYSA,N,Mesifurane,SIMKGHMLPVDSJE-UHFFFAOYSA-N
HMDB34231,424.136946988,C20H24O10,CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1OC2=CC=C3C=CC(=O)OC3=C2C1O,"InChI=1S/C20H24O10/c1-20(2,30-19-16(26)15(25)13(23)10(7-21)28-19)18-14(24)12-9(27-18)5-3-8-4-6-11(22)29-17(8)12/h3-6,10,13-16,18-19,21,23-26H,7H2,1-2H3/t10-,13-,14?,15+,16-,18?,19+/m1/s1",ALEQYOXVXJKFOM,JHJAVHFJSA,N,Apterin,ALEQYOXVXJKFOM-JHJAVHFJSA-N
HMDB34232,92.002892489,C3H5ClO,ClCC1CO1,"InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2",BRLQWZUYTZBJKN,UHFFFAOYSA,N,(Chloromethyl)oxirane,BRLQWZUYTZBJKN-UHFFFAOYSA-N
HMDB34233,70.041864814,C4H6O,C\C=C/C=O,"InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-",MLUCVPSAIODCQM,IHWYPQMZSA,N,(E)-2-Butenal,MLUCVPSAIODCQM-IHWYPQMZSA-N
HMDB34234,144.115029756,C8H16O2,CCOC(=O)CC(C)CC,"InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3",TXAWGHYFBQBVNK,UHFFFAOYSA,N,Ethyl (±)-3-methylpentanoate,TXAWGHYFBQBVNK-UHFFFAOYSA-N
HMDB34235,86.073164942,C5H10O,CCCC(C)=O,"InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3",XNLICIUVMPYHGG,UHFFFAOYSA,N,2-Pentanone,XNLICIUVMPYHGG-UHFFFAOYSA-N
HMDB34236,131.073499293,C9H9N,N#CCCC1=CC=CC=C1,"InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2",ACRWYXSKEHUQDB,UHFFFAOYSA,N,Benzenepropanenitrile,ACRWYXSKEHUQDB-UHFFFAOYSA-N
HMDB34237,102.068079564,C5H10O2,CCCOC(C)=O,"InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3",YKYONYBAUNKHLG,UHFFFAOYSA,N,Propyl acetate,YKYONYBAUNKHLG-UHFFFAOYSA-N
HMDB34238,76.034670946,C3H8S,CCCS,"InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3",SUVIGLJNEAMWEG,UHFFFAOYSA,N,1-Propanethiol,SUVIGLJNEAMWEG-UHFFFAOYSA-N
HMDB34239,130.099379692,C7H14O2,CCC(=O)OCC(C)C,"InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3",FZXRXKLUIMKDEL,UHFFFAOYSA,N,2-Methylpropyl propanoate,FZXRXKLUIMKDEL-UHFFFAOYSA-N
HMDB34240,104.062600256,C8H8,C=CC1=CC=CC=C1,"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",PPBRXRYQALVLMV,UHFFFAOYSA,N,Styrene,PPBRXRYQALVLMV-UHFFFAOYSA-N
HMDB34241,138.068079564,C8H10O2,COC1=CC=C(CO)C=C1,"InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3",MSHFRERJPWKJFX,UHFFFAOYSA,N,4-Methoxybenzyl alcohol,MSHFRERJPWKJFX-UHFFFAOYSA-N
HMDB34242,338.100167552,C16H18O8,OCC1OC(OC2=C3C(O)=CC=CC3=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C16H18O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-5-4-8(18)7-2-1-3-9(19)12(7)10/h1-5,11,13-22H,6H2",LASMTIIWUCJLEH,UHFFFAOYSA,N,alpha-Hydrojuglone 4-O-b-D-glucoside,LASMTIIWUCJLEH-UHFFFAOYSA-N
HMDB34243,166.062994186,C9H10O3,CC(=O)CCC(=O)C1=COC=C1,"InChI=1S/C9H10O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-6H,2-3H2,1H3",VUENWDJSJYJARL,UHFFFAOYSA,N,Ipomeanine,VUENWDJSJYJARL-UHFFFAOYSA-N
HMDB34244,129.057849229,C9H7N,C1=CC=C2C=NC=CC2=C1,InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H,AWJUIBRHMBBTKR,UHFFFAOYSA,N,Isoquinoline,AWJUIBRHMBBTKR-UHFFFAOYSA-N
HMDB34246,140.047344122,C7H8O3,CC(=O)OCC1=CC=CO1,"InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3",CKOYRRWBOKMNRG,UHFFFAOYSA,N,Furfuryl acetate,CKOYRRWBOKMNRG-UHFFFAOYSA-N
HMDB34247,112.0524295,C6H8O2,COCC1=CC=CO1,"InChI=1S/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3",GANSPRKOWQQXPE,UHFFFAOYSA,N,2-(Methoxymethyl)furan,GANSPRKOWQQXPE-UHFFFAOYSA-N
HMDB34248,826.539706748,C53H70N4O4,CCCCCC(C)CCCC(C)CC(C)C\C(C)=C\COC(=O)CCC1C(C)C2=N\C\1=C1\CC(=O)C3=C1NC(\C=C1/N=C(/C=C4\N/C(=C\2)C(C)=C4C=C)C(C=O)=C1CC)=C3C,"InChI=1S/C53H70N4O4/c1-11-14-15-17-31(4)18-16-19-32(5)24-34(7)25-33(6)22-23-61-50(60)21-20-40-36(9)44-27-43-35(8)38(12-2)46(54-43)29-48-42(30-58)39(13-3)47(55-48)28-45-37(10)51-49(59)26-41(52(40)56-44)53(51)57-45/h12,22,27-32,34,36,40,54,57H,2,11,13-21,23-26H2,1,3-10H3/b33-22+,43-27-,44-27-,45-28-,46-29-,47-28-,48-29-,52-41-",VLMUKTSQARJLRE,AVCGXTRNSA,N,Pyropheophytin b,VLMUKTSQARJLRE-AVCGXTRNSA-N
HMDB34249,392.13186161,C16H24O11,CC1(O)C(O)CC2C1C(OC1OC(CO)C(O)C(O)C1O)OC=C2C(O)=O,"InChI=1S/C16H24O11/c1-16(24)8(18)2-5-6(13(22)23)4-25-14(9(5)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4-5,7-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)",WAXHVHOTAZULHY,UHFFFAOYSA,N,Caryoptosidic acid,WAXHVHOTAZULHY-UHFFFAOYSA-N
HMDB34250,193.073893223,C10H11NO3,OC(=O)CCNC(=O)C1=CC=CC=C1,"InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)",CWXYHOHYCJXYFQ,UHFFFAOYSA,N,Betamipron,CWXYHOHYCJXYFQ-UHFFFAOYSA-N
HMDB34251,237.063722467,C11H11NO5,OC(=O)CC(NC(=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C11H11NO5/c13-9(14)6-8(11(16)17)12-10(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,15)(H,13,14)(H,16,17)",DJLTZJGULPLVOA,UHFFFAOYSA,N,N-Benzoylaspartic acid,DJLTZJGULPLVOA-UHFFFAOYSA-N
HMDB34252,175.084457909,C7H13NO4,NC(CCCCC(O)=O)C(O)=O,"InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)",JUQLUIFNNFIIKC,UHFFFAOYSA,N,2-Aminoheptanedioic acid,JUQLUIFNNFIIKC-UHFFFAOYSA-N
HMDB34253,416.36543078,C28H48O2,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(O)=C(C)C=C2O1,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)27(29)23(5)19-26(25)30-28/h19-22,29H,8-18H2,1-7H3",WZVWUSABZGIQJZ,UHFFFAOYSA,N,z2-Tocopherol,WZVWUSABZGIQJZ-UHFFFAOYSA-N
HMDB34254,402.349780716,C27H46O2,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C=C(C)C(O)=C2,"InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3",PZZKGQBMBVYPGR,UHFFFAOYSA,N,eta-Tocopherol,PZZKGQBMBVYPGR-UHFFFAOYSA-N
HMDB34255,258.089208936,C15H14O4,COC1=CC2=C(C=CC(C)(C)O2)C2=C1C=CC(=O)O2,"InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11(17-3)9-4-5-13(16)18-14(9)10/h4-8H,1-3H3",ZNMRQYJUVCXNGK,UHFFFAOYSA,N,5-Methoxyseselin,ZNMRQYJUVCXNGK-UHFFFAOYSA-N
HMDB34256,354.110338308,C20H18O6,C1OC2=C(O1)C=C(C=C2)C1OCC2C1COC2C1=CC2=C(OCO2)C=C1,"InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2",PEYUIKBAABKQKQ,UHFFFAOYSA,N,(+)-Sesamin,PEYUIKBAABKQKQ-UHFFFAOYSA-N
HMDB34257,228.078644246,C14H12O3,CC1(C)OC2=C(C=C1)C1=C(C=CC(=O)O1)C=C2,"InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3",QUVCQYQEIOLHFZ,UHFFFAOYSA,N,Seselin,QUVCQYQEIOLHFZ-UHFFFAOYSA-N
HMDB34258,626.111914028,C26H26O18,OCC1OC(OCC2OC(OC3=C(O)C4=C5C(=C3)C(=O)OC3=C5C(=CC(O)=C3O)C(=O)O4)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C26H26O18/c27-3-9-14(30)17(33)19(35)25(41-9)39-4-10-15(31)18(34)20(36)26(42-10)40-8-2-6-12-11-5(23(37)44-22(12)16(8)32)1-7(28)13(29)21(11)43-24(6)38/h1-2,9-10,14-15,17-20,25-36H,3-4H2",FHIYBTOOLROABN,UHFFFAOYSA,N,Amritoside,FHIYBTOOLROABN-UHFFFAOYSA-N
HMDB34259,119.021857653,C3H5NO4,OC(=O)CCN(=O)=O,"InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)",WBLZUCOIBUDNBV,UHFFFAOYSA,N,Bovinocidin,WBLZUCOIBUDNBV-UHFFFAOYSA-N
HMDB34260,108.042258744,C3H8O4,CC(C)(OO)OO,"InChI=1S/C3H8O4/c1-3(2,6-4)7-5/h4-5H,1-2H3",XJHMOGCOFPLTNG,UHFFFAOYSA,N,"2,2-Dihydroperoxypropane",XJHMOGCOFPLTNG-UHFFFAOYSA-N
HMDB34261,130.135765198,C8H18O,CCCCCCC(C)O,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",SJWFXCIHNDVPSH,UHFFFAOYSA,N,(±)-2-Octanol,SJWFXCIHNDVPSH-UHFFFAOYSA-N
HMDB34262,332.125988372,C18H20O6,CCCC1CC2=C(CC(CC)CC3=C1C(=O)OC3=O)C(=O)OC2=O,"InChI=1S/C18H20O6/c1-3-5-10-8-12-11(15(19)23-16(12)20)6-9(4-2)7-13-14(10)18(22)24-17(13)21/h9-10H,3-8H2,1-2H3",NRDWUPPIGBHWAS,UHFFFAOYSA,N,Byssochlamic acid,NRDWUPPIGBHWAS-UHFFFAOYSA-N
HMDB34263,276.120902994,C12H20O7,CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC,"InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3",DOOTYTYQINUNNV,UHFFFAOYSA,N,Triethyl citrate,DOOTYTYQINUNNV-UHFFFAOYSA-N
HMDB34264,354.146723814,C21H22O5,COC1=CC2=C(C=C1CC=C(C)C)C1OC3=C(C=CC(O)=C3)C1(O)CO2,"InChI=1S/C21H22O5/c1-12(2)4-5-13-8-15-18(10-17(13)24-3)25-11-21(23)16-7-6-14(22)9-19(16)26-20(15)21/h4,6-10,20,22-23H,5,11H2,1-3H3",WOKIXZBYDPTMJD,UHFFFAOYSA,N,Glyceollin IV,WOKIXZBYDPTMJD-UHFFFAOYSA-N
HMDB34265,538.168641046,C25H30O13,CC1(O)C(O)CC2C1C(OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)OC=C2C(O)=O,"InChI=1S/C25H30O13/c1-25(34)16(27)8-13-14(22(32)33)9-36-23(18(13)25)38-24-21(31)20(30)19(29)15(37-24)10-35-17(28)7-4-11-2-5-12(26)6-3-11/h2-7,9,13,15-16,18-21,23-24,26-27,29-31,34H,8,10H2,1H3,(H,32,33)/b7-4+",QCPZTWAULZJVIK,QPJJXVBHSA,N,Lippioside I,QCPZTWAULZJVIK-QPJJXVBHSA-N
HMDB34266,202.095356946,C8H14N2O4,NC(CCC(O)=NC1(O)CC1)C(O)=O,"InChI=1S/C8H14N2O4/c9-5(7(12)13)1-2-6(11)10-8(14)3-4-8/h5,14H,1-4,9H2,(H,10,11)(H,12,13)",OEEZRBUCLFMTLD,UHFFFAOYSA,N,L-Coprine,OEEZRBUCLFMTLD-UHFFFAOYSA-N
HMDB34267,155.069476547,C6H9N3O2,NC(CN1C=CC=N1)C(O)=O,"InChI=1S/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)",PIGOPELHGLPKLL,UHFFFAOYSA,N,L-2-Amino-3-(1-pyrazolyl)propanoic acid,PIGOPELHGLPKLL-UHFFFAOYSA-N
HMDB34268,554.163555668,C25H30O14,CC1(O)C(O)CC2C1C(OC1OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C1O)OC=C2C(O)=O,"InChI=1S/C25H30O14/c1-25(35)16(28)7-11-12(22(33)34)8-37-23(18(11)25)39-24-21(32)20(31)19(30)15(38-24)9-36-17(29)5-3-10-2-4-13(26)14(27)6-10/h2-6,8,11,15-16,18-21,23-24,26-28,30-32,35H,7,9H2,1H3,(H,33,34)/b5-3+",YHZBVXGYEGLXCQ,HWKANZROSA,N,Lippioside II,YHZBVXGYEGLXCQ-HWKANZROSA-N
HMDB34269,406.178023942,C25H26O5,CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O,"InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)22(19(26)12-15(3)4)24(29)21-18(13-20(27)30-25(17)21)16-8-6-5-7-9-16/h5-10,13,15,28-29H,11-12H2,1-4H3",JIFOADIANOIMSK,UHFFFAOYSA,N,Mammeisin,JIFOADIANOIMSK-UHFFFAOYSA-N
HMDB34270,228.07864425,C14H12O3,COC1=CC(=O)OC(\C=C\C2=CC=CC=C2)=C1,"InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+",DKKJNZYHGRUXBS,BQYQJAHWSA,N,"5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one",DKKJNZYHGRUXBS-BQYQJAHWSA-N
HMDB34271,504.084517488,C30H16O8,CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C3C3=C2C1=C1C(C)=CC(O)=C2C(=O)C5=C(O)C=C(O)C4=C5C3=C12,"InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3",BTXNYTINYBABQR,UHFFFAOYSA,N,Hypericin,BTXNYTINYBABQR-UHFFFAOYSA-N
HMDB34272,186.031694053,C11H6O3,O=C1OC2=CC3=C(C=CO3)C=C2C=C1,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,ZCCUUQDIBDJBTK,UHFFFAOYSA,N,Psoralen,ZCCUUQDIBDJBTK-UHFFFAOYSA-N
HMDB34273,149.029919919,C8H7NS,N#CSCC1=CC=CC=C1,"InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2",ABNDFSOIUFLJAH,UHFFFAOYSA,N,Benzyl thiocyanate,ABNDFSOIUFLJAH-UHFFFAOYSA-N
HMDB34275,358.178023942,C21H26O5,CCCC(=O)C1=C(O)C(CC=C(C)C)=C2OC(=O)C=C(CCC)C2=C1O,"InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-14(10-9-12(3)4)19(24)18(15(22)8-6-2)20(25)17(13)21/h9,11,24-25H,5-8,10H2,1-4H3",HDHKEYMZRICGLG,UHFFFAOYSA,N,Mammea B/AC,HDHKEYMZRICGLG-UHFFFAOYSA-N
HMDB34276,210.13682783,C11H18N2O2,CC(C)CC1NC(=O)C2CCCN2C1=O,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",SZJNCZMRZAUNQT,UHFFFAOYSA,N,"L,L-Cyclo(leucylprolyl)",SZJNCZMRZAUNQT-UHFFFAOYSA-N
HMDB34277,190.099379692,C12H14O2,CCC\C=C1\OC(=O)C2=C1CCC=C2,"InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8+",IQVQXVFMNOFTMU,DHZHZOJOSA,N,Ligustilide,IQVQXVFMNOFTMU-DHZHZOJOSA-N
HMDB34278,372.120902994,C20H20O7,COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=CC(OC)=C(OC)C(OC)=C2O1,"InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)16-19(25-4)15(21)13-10-14(23-2)18(24-3)20(26-5)17(13)27-16/h6-10H,1-5H3",DGNOHOXRWCCDLK,UHFFFAOYSA,N,Auranetin,DGNOHOXRWCCDLK-UHFFFAOYSA-N
HMDB34279,326.115423686,C19H18O5,COC1=CC(CCCO)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1,"InChI=1S/C19H18O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h4-5,7-10,20H,2-3,6,11H2,1H3",VOLZBKQSLGCZGC,UHFFFAOYSA,N,Egonol,VOLZBKQSLGCZGC-UHFFFAOYSA-N
HMDB34280,488.168247116,C25H28O10,COC1=CC(CCCOC2OC(CO)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1,"InChI=1S/C25H28O10/c1-30-19-8-13(3-2-6-31-25-23(29)22(28)21(27)20(11-26)35-25)7-15-10-17(34-24(15)19)14-4-5-16-18(9-14)33-12-32-16/h4-5,7-10,20-23,25-29H,2-3,6,11-12H2,1H3",RAMYDZNQLYKTGB,UHFFFAOYSA,N,Egonol glucoside,RAMYDZNQLYKTGB-UHFFFAOYSA-N
HMDB34281,650.221070546,C31H38O15,COC1=CC(CCCOC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1,"InChI=1S/C31H38O15/c1-39-20-8-14(7-16-10-18(44-29(16)20)15-4-5-17-19(9-15)43-13-42-17)3-2-6-40-30-27(37)26(36)24(34)22(46-30)12-41-31-28(38)25(35)23(33)21(11-32)45-31/h4-5,7-10,21-28,30-38H,2-3,6,11-13H2,1H3",NBGJGWFIDMDCAW,UHFFFAOYSA,N,Egonol gentiobioside,NBGJGWFIDMDCAW-UHFFFAOYSA-N
HMDB34282,338.3912516,C24H50,CCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",POOSGDOYLQNASK,UHFFFAOYSA,N,Lignocerane,POOSGDOYLQNASK-UHFFFAOYSA-N
HMDB34283,212.214015518,C14H28O,CCCCCCCCCCCCCC=O,"InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3",UHUFTBALEZWWIH,UHFFFAOYSA,N,Tetradecanal,UHUFTBALEZWWIH-UHFFFAOYSA-N
HMDB34284,184.219100896,C13H28,CCCCCCCCCCCCC,"InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3",IIYFAKIEWZDVMP,UHFFFAOYSA,N,Tridecane,IIYFAKIEWZDVMP-UHFFFAOYSA-N
HMDB34285,340.370516158,C23H48O,CCCCCCCCCCCC(O)CCCCCCCCCCC,"InChI=1S/C23H48O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3",PFMNFSXMCRSYMU,UHFFFAOYSA,N,12-Tricosanol,PFMNFSXMCRSYMU-UHFFFAOYSA-N
HMDB34286,212.177630012,C13H24O2,CCOC(=O)CCCCCCCCC=C,"InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3",FXNFFCMITPHEIT,UHFFFAOYSA,N,Ethyl 10-undecenoate,FXNFFCMITPHEIT-UHFFFAOYSA-N
HMDB34287,424.464416542,C29H60O,CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCC,"InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3",CPGCVOVWHCWVTP,UHFFFAOYSA,N,(S)-10-Nonacosanol,CPGCVOVWHCWVTP-UHFFFAOYSA-N
HMDB34288,408.46950192,C29H60,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3",IGGUPRCHHJZPBS,UHFFFAOYSA,N,Nonacosane,IGGUPRCHHJZPBS-UHFFFAOYSA-N
HMDB34289,268.31300128,C19H40,CCCCCCCCCCCCCCCCCCC,"InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3",LQERIDTXQFOHKA,UHFFFAOYSA,N,Nonadecane,LQERIDTXQFOHKA-UHFFFAOYSA-N
HMDB34290,426.4436811,C28H58O2,OCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C28H58O2/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30/h29-30H,1-28H2",MOGIDESHHYPDTP,UHFFFAOYSA,N,"1,28-Octacosanediol",MOGIDESHHYPDTP-UHFFFAOYSA-N
HMDB34291,232.063662888,C15H8N2O,O=C1C2=CC=CC=C2C2=NC=CC3=C2C1=NC=C3,InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H,BWQKHOMAOVUASZ,UHFFFAOYSA,N,Sampangine,BWQKHOMAOVUASZ-UHFFFAOYSA-N
HMDB34292,216.126263144,C13H16N2O,CC1N(C)CCC2=C1NC1=C2C=CC(O)=C1,"InChI=1S/C13H16N2O/c1-8-13-11(5-6-15(8)2)10-4-3-9(16)7-12(10)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3",AGILGFCOHSGLIT,UHFFFAOYSA,N,Nb-Methyltetrahydroharmol,AGILGFCOHSGLIT-UHFFFAOYSA-N
HMDB34293,448.318874518,C27H44O5,CC1C2C(CC3C4CC(O)C5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)(O)CO1,"InChI=1S/C27H44O5/c1-15-23-22(32-27(15)10-9-24(2,30)14-31-27)13-19-17-12-21(29)20-11-16(28)5-7-25(20,3)18(17)6-8-26(19,23)4/h15-23,28-30H,5-14H2,1-4H3",ILVZNZHXRYGRGV,UHFFFAOYSA,N,Asperagenin,ILVZNZHXRYGRGV-UHFFFAOYSA-N
HMDB34294,166.07825032,C13H10,C\C=C/C#CC#CC#C\C=C\C=C,"InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4-,7-5+",KAGUESUDHDXNCN,XGXWUAJZSA,N,"1,3,11-Tridecatriene-5,7,9-triyne",KAGUESUDHDXNCN-XGXWUAJZSA-N
HMDB34295,332.256274262,C18H36O5,OCCCCCCCCC(O)C(O)CCCCCCCC(O)=O,"InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)",OISFHODBOQNZAG,UHFFFAOYSA,N,Floionolic acid,OISFHODBOQNZAG-UHFFFAOYSA-N
HMDB34296,310.28718046,C20H38O2,CCCCCCCCC=CCCCCCCCCCC(O)=O,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)",BITHHVVYSMSWAG,UHFFFAOYSA,N,11-Eicosenoic acid,BITHHVVYSMSWAG-UHFFFAOYSA-N
HMDB34297,298.250794954,C18H34O3,CCCCCCC(O)C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-",WBHHMMIMDMUBKC,XFXZXTDPSA,N,Ricinoleic acid,WBHHMMIMDMUBKC-XFXZXTDPSA-N
HMDB34298,880.751990932,C57H100O6,CCCCCCCC\C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)COC(=O)CCCCCCC\C=C\C\C=C\CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,54H,4-15,18,21-24,31-53H2,1-3H3/b19-16+,20-17+,28-25+,29-26+,30-27+",UDQCIYKUZOQISE,SIBCJXFASA,N,"Glycerol 1,3-di-(9Z,12Z-octadecadienoate) 2-(9Z-octadecenoate)",UDQCIYKUZOQISE-SIBCJXFASA-N
HMDB34299,154.02660868,C7H6O4,OC1OCC=C2OC(=O)C=C12,"InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2",ZRWPUFFVAOMMNM,UHFFFAOYSA,N,Patulin,ZRWPUFFVAOMMNM-UHFFFAOYSA-N
HMDB34300,127.045569983,C6H9NS,C=CCCCN=C=S,"InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2",DBISBKDNOKIADM,UHFFFAOYSA,N,5-Isothiocyanato-1-pentene,DBISBKDNOKIADM-UHFFFAOYSA-N
HMDB34301,85.089149357,C5H11N,C1CCNCC1,"InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2",NQRYJNQNLNOLGT,UHFFFAOYSA,N,Piperidine,NQRYJNQNLNOLGT-UHFFFAOYSA-N
HMDB34302,592.506675286,C37H68O5,CCCCCCCCCCC(O)C1CCC(COCCCCCCCCCCCCCCCCC2=CC(C)OC2=O)O1,"InChI=1S/C37H68O5/c1-3-4-5-6-7-17-20-23-26-35(38)36-28-27-34(42-36)31-40-29-24-21-18-15-13-11-9-8-10-12-14-16-19-22-25-33-30-32(2)41-37(33)39/h30,32,34-36,38H,3-29,31H2,1-2H3",VVRFLFPCWOLOIF,UHFFFAOYSA,N,Reticulatain 2,VVRFLFPCWOLOIF-UHFFFAOYSA-N
HMDB34303,280.034019018,C12H12N2O2S2,CON1C(=O)C2(CN=C(SC)S2)C2=CC=CC=C12,"InChI=1S/C12H12N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6H,7H2,1-2H3",HXTLALYTXJCGLD,UHFFFAOYSA,N,1-Methoxyspirobrassinin,HXTLALYTXJCGLD-UHFFFAOYSA-N
HMDB34304,886.492600942,C45H74O17,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C45H74O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3",PTMUTMGEBGQTEJ,UHFFFAOYSA,N,Tuberoside D,PTMUTMGEBGQTEJ-UHFFFAOYSA-N
HMDB34305,902.487515564,C45H74O18,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C45H74O18/c1-18-8-11-45(56-17-18)19(2)30-27(63-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)58-42-39(62-41-36(54)34(52)32(50)28(15-46)59-41)37(55)38(29(16-47)60-42)61-40-35(53)33(51)31(49)20(3)57-40/h18-42,46-55H,6-17H2,1-5H3",ZRLYJZWJVVMIHO,UHFFFAOYSA,N,Tuberoside E,ZRLYJZWJVVMIHO-UHFFFAOYSA-N
HMDB34306,1050.52468893,C50H82O23,CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C50H82O23/c1-19-5-10-50(65-17-19)20(2)32-28(73-50)13-24-22-12-26(54)25-11-21(6-8-48(25,3)23(22)7-9-49(24,32)4)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)27(55)18-64-44/h19-47,51-63H,5-18H2,1-4H3",WRRAISMCUAHXHF,UHFFFAOYSA,N,b-Chlorogenin 3-[4''-(2'''-glucosyl-3'''-xylosylglucosyl)galactoside],WRRAISMCUAHXHF-UHFFFAOYSA-N
HMDB34307,1212.57751236,C56H92O28,CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C56H92O28/c1-20-5-10-56(74-18-20)21(2)34-29(84-56)13-25-23-12-27(61)26-11-22(6-8-54(26,3)24(23)7-9-55(25,34)4)75-50-43(71)40(68)45(33(17-60)79-50)80-53-48(47(38(66)32(16-59)78-53)82-49-41(69)35(63)28(62)19-73-49)83-52-44(72)46(37(65)31(15-58)77-52)81-51-42(70)39(67)36(64)30(14-57)76-51/h20-53,57-72H,5-19H2,1-4H3",GRTVHADQQMGAAO,UHFFFAOYSA,N,b-Chlorogenin 3-[4-(2-((3-glucosyl)glucosyl-3-xylosyl)-glucosyl)-galactoside],GRTVHADQQMGAAO-UHFFFAOYSA-N
HMDB34308,1106.55090368,C53H86O24,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(COC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C53H86O24/c1-21-8-13-53(68-19-21)22(2)34-29(77-53)15-28-26-7-6-24-14-25(9-11-51(24,4)27(26)10-12-52(28,34)5)69-47-43(66)40(63)44(32(18-56)72-47)74-50-46(76-49-42(65)39(62)36(59)31(17-55)71-49)45(37(60)33(73-50)20-67-23(3)57)75-48-41(64)38(61)35(58)30(16-54)70-48/h21-22,24-50,54-56,58-66H,6-20H2,1-5H3",UMJXUWDTBAXFNN,UHFFFAOYSA,N,Neomacrostemonoside D,UMJXUWDTBAXFNN-UHFFFAOYSA-N
HMDB34309,872.476950878,C44H72O17,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C44H72O17/c1-19-7-12-44(56-16-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)57-41-38(60-40-37(53)34(50)32(48)28(15-45)58-40)35(51)33(49)29(59-41)18-55-39-36(52)31(47)26(46)17-54-39/h19-41,45-53H,5-18H2,1-4H3",HHWRCNJOZBSQCB,UHFFFAOYSA,N,Smilagenin 3-[2''-glucosyl-6''-arabinosylglucoside],HHWRCNJOZBSQCB-UHFFFAOYSA-N
HMDB34310,292.058302738,C14H12O7,COC1=C(O)C(O)=C2C(=O)C(C(C)=O)=C(C)C(O)=C2C1=O,"InChI=1S/C14H12O7/c1-4-6(5(2)15)10(17)8-7(9(4)16)12(19)14(21-3)13(20)11(8)18/h16,18,20H,1-3H3",HHMBLIVHBTZFJR,UHFFFAOYSA,N,Cordeauxione,HHMBLIVHBTZFJR-UHFFFAOYSA-N
HMDB34311,934.180387522,C44H38O23,[H][C@]1(C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@@]1([H])C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)C(O)=O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O,"InChI=1S/C44H38O23/c45-11-23-31(49)35(53)37(55)43(65-23)63-21-5-1-3-15-25(17-7-13(39(56)57)9-19(47)27(17)33(51)29(15)21)26-16-4-2-6-22(30(16)34(52)28-18(26)8-14(40(58)59)10-20(28)48)64-44-38(67-42(62)41(60)61)36(54)32(50)24(12-46)66-44/h1-10,23-26,31-32,35-38,43-50,53-55H,11-12H2,(H,56,57)(H,58,59)(H,60,61)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,43-,44-/m1/s1",WCXZMEMQOKTKSI,ODLWGOIJSA,N,Sennoside F,WCXZMEMQOKTKSI-ODLWGOIJSA-N
HMDB34312,246.052823422,C13H10O5,COC1=C2OC=CC2=C(OC)C2=C1OC(=O)C=C2,"InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3",DFMAXQKDIGCMTL,UHFFFAOYSA,N,Isopimpinellin,DFMAXQKDIGCMTL-UHFFFAOYSA-N
HMDB34313,342.095082174,C15H18O9,OCC1OC(OC2=C(O)C=C(\C=C\C(O)=O)C=C2)C(O)C(O)C1O,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+",OHEYCHKLBCPRLZ,DUXPYHPUSA,N,Glucocaffeic acid,OHEYCHKLBCPRLZ-DUXPYHPUSA-N
HMDB34314,598.111126168,C32H22O12,COC1=C(C2=C(C(O)=C1)C(=O)C1=C(O)C=C(C)C(O)=C1C2=O)C1=C(OC)C=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O,"InChI=1S/C32H22O12/c1-9-5-11(33)19-25(27(9)37)31(41)23-17(29(19)39)13(35)7-15(43-3)21(23)22-16(44-4)8-14(36)18-24(22)32(42)26-20(30(18)40)12(34)6-10(2)28(26)38/h5-8,33-38H,1-4H3",KWJYPXPZYJXQFD,UHFFFAOYSA,N,Fusaroskyrin,KWJYPXPZYJXQFD-UHFFFAOYSA-N
HMDB34315,208.073558872,C11H12O4,COC1=C(OC)C=C(\C=C\C(O)=O)C=C1,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+",HJBWJAPEBGSQPR,GQCTYLIASA,N,"3-(3,4-Dimethoxyphenyl)-2-propenoic acid",HJBWJAPEBGSQPR-GQCTYLIASA-N
HMDB34317,862.195643656,C42H38O20,[H][C@]1(C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@]1([H])C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O,"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1",IPQVTOJGNYVQEO,KGFNBKMBSA,N,Sennoside A,IPQVTOJGNYVQEO-KGFNBKMBSA-N
HMDB34318,524.110732238,C30H20O9,OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O,"InChI=1S/C30H20O9/c31-11-12-7-16-22(14-3-1-5-18(32)24(14)28(36)26(16)20(34)8-12)23-15-4-2-6-19(33)25(15)29(37)27-17(23)9-13(30(38)39)10-21(27)35/h1-10,22-23,31-35H,11H2,(H,38,39)",PXSKWUOTHDALDG,UHFFFAOYSA,N,Sennidin C,PXSKWUOTHDALDG-UHFFFAOYSA-N
HMDB34319,265.073893223,C16H11NO3,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC=C1)C=C2O,"InChI=1S/C16H11NO3/c1-17-11-5-3-2-4-9(11)16(19)14-12(18)8-13-10(15(14)17)6-7-20-13/h2-8,18H,1H3",ZFFUGPKCSIVPEI,UHFFFAOYSA,N,Furofoline,ZFFUGPKCSIVPEI-UHFFFAOYSA-N
HMDB34321,828.414350622,C41H64O17,CC1OC(CC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1,"InChI=1S/C41H64O17/c1-18-36(58-38-35(50)33(48)31(46)27(57-38)17-53-37-34(49)32(47)30(45)26(15-42)56-37)25(43)14-29(54-18)55-21-6-9-39(2)20(13-21)4-5-24-23(39)7-10-40(3)22(8-11-41(24,40)51)19-12-28(44)52-16-19/h12,18,20-27,29-38,42-43,45-51H,4-11,13-17H2,1-3H3",NQKAYUABNWNCPK,UHFFFAOYSA,N,"Digitoxigenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-2,6-dideoxyribohexoside]",NQKAYUABNWNCPK-UHFFFAOYSA-N
HMDB34322,172.048406754,C6H8N2O4,NC(CN1OC(=O)C=C1)C(O)=O,"InChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)",BDHFFHBFJUZSBF,UHFFFAOYSA,N,L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid,BDHFFHBFJUZSBF-UHFFFAOYSA-N
HMDB34323,161.051049291,C6H11NO2S,NC(CSCC=C)C(O)=O,"InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)",ZFAHNWWNDFHPOH,UHFFFAOYSA,N,S-Allylcysteine,ZFAHNWWNDFHPOH-UHFFFAOYSA-N
HMDB34324,163.066699355,C6H13NO2S,CCCSCC(N)C(O)=O,"InChI=1S/C6H13NO2S/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",WAAGBMYUYFBZIW,UHFFFAOYSA,N,S-Propyl-L-cysteine,WAAGBMYUYFBZIW-UHFFFAOYSA-N
HMDB34326,190.106590334,C6H14N4O3,NC(CC(O)CNC(N)=N)C(O)=O,"InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)",OPCBKDJCJYBGTQ,UHFFFAOYSA,N,L-erythro-4-Hydroxyarginine,OPCBKDJCJYBGTQ-UHFFFAOYSA-N
HMDB34327,758.408871314,C38H62O15,CC1C2C(CC3C4CCC5(OC6OCC(O)C(O)C6O)C(O)C(CC(O)C5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C38H62O15/c1-16-5-10-38(49-14-16)17(2)26-22(52-38)11-20-18-6-9-37(53-33-30(45)27(42)21(40)15-48-33)32(47)23(50-34-31(46)29(44)28(43)24(13-39)51-34)12-25(41)36(37,4)19(18)7-8-35(20,26)3/h16-34,39-47H,5-15H2,1-4H3",WTBJYOOHMFWKMY,UHFFFAOYSA,N,Glucoconvallasaponin B,WTBJYOOHMFWKMY-UHFFFAOYSA-N
HMDB34328,400.334130652,C27H44O2,CC(C)CCCC(C)C1CC=C2C3=C(CCC12C)C1(C)CCC(O)CC1C(O)C3,"InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h10,17-19,21,24-25,28-29H,6-9,11-16H2,1-5H3",CZXLHIZQQUJTND,UHFFFAOYSA,N,"(3beta,5alpha,6a)-Cholesta-8,14-diene-3,6-diol",CZXLHIZQQUJTND-UHFFFAOYSA-N
HMDB34329,414.349780716,C28H46O2,CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)CC1C(O)C3,"InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)21-11-14-28(6)23-17-25(30)24-16-20(29)10-13-26(24,4)22(23)12-15-27(21,28)5/h8,19-21,24-25,29-30H,7,9-17H2,1-6H3",BHMYRYNHHQYGTN,UHFFFAOYSA,N,Stenocereol,BHMYRYNHHQYGTN-UHFFFAOYSA-N
HMDB34330,544.194461866,C28H32O11,CC12OC(=O)C3(O)CCC4C(C(O)CC5(O)CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5,"InChI=1S/C28H32O11/c1-22-10-16-24(3)28-18(22)19(31)27(39-28,36-11-13(22)20(32)37-16)17-12(6-8-26(28,35)21(33)38-24)23(2)15(30)5-4-7-25(23,34)9-14(17)29/h4-5,12-14,16-18,29,34-35H,6-11H2,1-3H3",YFLAVJCREXGADP,UHFFFAOYSA,N,Physalin E,YFLAVJCREXGADP-UHFFFAOYSA-N
HMDB34331,412.334130652,C28H44O2,CC(C)C(C)\C=C/C(C)C1CCC2C3=C(C(O)CC12C)C1(C)CCC(O)CC1=CC3,"InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h7-9,17-19,21,23-25,29-30H,10-16H2,1-6H3/b8-7-",RJWIGXOAUROSSK,FPLPWBNLSA,N,Portensterol,RJWIGXOAUROSSK-FPLPWBNLSA-N
HMDB34332,448.355260024,C28H48O4,CC(C)C(=C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15,17-26,29-32H,3,7-14H2,1-2,4-6H3",YCYJLHFHRKUCQX,UHFFFAOYSA,N,6-Deoxodolichosterone,YCYJLHFHRKUCQX-UHFFFAOYSA-N
HMDB34333,538.233345931,C28H39ClO8,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(Cl)C4(O)C(O)C=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H39ClO8/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-18(29)28(36)20(31)7-6-19(30)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-18,20-21,31,33-36H,8-13H2,1-5H3",XCJUXWOCLLPHII,UHFFFAOYSA,N,Physalolactone,XCJUXWOCLLPHII-UHFFFAOYSA-N
HMDB34334,488.277403634,C28H40O7,CC1CC(OC(=O)C1C)C(C)(O)C1CCC2(O)C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H40O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)17-9-12-27(32)20-16(8-11-24(17,27)3)25(4)18(29)7-6-10-28(25,33)22-21(20)35-22/h6-7,14-17,19-22,31-33H,8-13H2,1-5H3",SPZVPSAUINZULS,UHFFFAOYSA,N,14alpha-Hydroxyixocarpanolide,SPZVPSAUINZULS-UHFFFAOYSA-N
HMDB34335,168.042258744,C8H8O4,COC1=CC(=O)C(OC)=CC1=O,"InChI=1S/C8H8O4/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3",RMMPZDDLWLALLJ,UHFFFAOYSA,N,Thermophillin,RMMPZDDLWLALLJ-UHFFFAOYSA-N
HMDB34336,462.334524582,C28H46O5,CC(C)C(=C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C28H46O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14,16-21,23-26,30-33H,3,7-13H2,1-2,4-6H3",CYPKCRFYMBXYBU,UHFFFAOYSA,N,Dolichosterone,CYPKCRFYMBXYBU-UHFFFAOYSA-N
HMDB34337,738.41904207,C39H62O13,CC(C1CCC2C3=CC(=O)C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1CCC(C)C(O)O1,"InChI=1S/C39H62O13/c1-17-6-9-27(50-35(17)47)18(2)22-7-8-23-21-15-26(41)25-14-20(10-12-39(25,5)24(21)11-13-38(22,23)4)49-37-34(32(45)30(43)28(16-40)51-37)52-36-33(46)31(44)29(42)19(3)48-36/h15,17-20,22-25,27-37,40,42-47H,6-14,16H2,1-5H3",MLAYKJNHCRIBKC,UHFFFAOYSA,N,Polypodosaponin,MLAYKJNHCRIBKC-UHFFFAOYSA-N
HMDB34339,502.256668192,C28H38O8,CC1C(C)C2(OC1=O)OC1CC3C4CC5OC55C(O)C=CC(=O)C5(C)C4CCC3(C)C1C(C)(O)C2O,"InChI=1S/C28H38O8/c1-12-13(2)28(36-22(12)31)23(32)26(5,33)21-17(34-28)11-16-14-10-20-27(35-20)19(30)7-6-18(29)25(27,4)15(14)8-9-24(16,21)3/h6-7,12-17,19-21,23,30,32-33H,8-11H2,1-5H3",RJARWAVNDSGUGC,UHFFFAOYSA,N,Ixocarpalactone B,RJARWAVNDSGUGC-UHFFFAOYSA-N
HMDB34340,526.18389718,C28H30O10,CC12OC(=O)C3(O)CCC4C(CC(O)C5=CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3",CGVBSJOSWAZUIF,UHFFFAOYSA,N,Physalin G,CGVBSJOSWAZUIF-UHFFFAOYSA-N
HMDB34341,528.199547244,C28H32O10,CC1C(=O)OC2CC1(C)C1C(=O)C3(O)OC11C2(C)OC(=O)C1(O)CCC1C3C(O)C=C2C=CCC(=O)C12C,"InChI=1S/C28H32O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5-6,10,12,14-15,17-19,29,34-35H,7-9,11H2,1-4H3",CUSXWWXXAPEFHY,UHFFFAOYSA,N,Physalin L,CUSXWWXXAPEFHY-UHFFFAOYSA-N
HMDB34342,512.204632622,C28H32O9,CC1C(=O)OC2CC1(C)C1C(=O)C3(O)OC11C2(C)OC(=O)C1(O)CCC1C3CC=C2C=CCC(=O)C12C,"InChI=1S/C28H32O9/c1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27/h5-6,8,13,15-16,18-19,33-34H,7,9-12H2,1-4H3",DRSSQOIGUIMEGX,UHFFFAOYSA,N,Physalin M,DRSSQOIGUIMEGX-UHFFFAOYSA-N
HMDB34343,886.456215436,C44H70O18,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C44H70O18/c1-18-7-10-44(57-15-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(47)43(24,30)4)58-41-38(61-40-37(54)34(51)32(49)27(14-45)59-40)35(52)33(50)28(60-41)17-56-39-36(53)31(48)25(46)16-55-39/h18-28,30-41,45-46,48-54H,5-17H2,1-4H3",JNPONVQKBRADJJ,UHFFFAOYSA,N,Furcogenin 3-[2''-glucosyl-6''-arabinosylglucoside],JNPONVQKBRADJJ-UHFFFAOYSA-N
HMDB34344,192.042258738,C10H8O4,COC1=C(O)C=C2OC(=O)C=CC2=C1,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",RODXRVNMMDRFIK,UHFFFAOYSA,N,Scopoletin,RODXRVNMMDRFIK-UHFFFAOYSA-N
HMDB34345,234.05282343,C12H10O5,COC1=C(OC(C)=O)C=C2OC(=O)C=CC2=C1,"InChI=1S/C12H10O5/c1-7(13)16-11-6-9-8(5-10(11)15-2)3-4-12(14)17-9/h3-6H,1-2H3",HYCLWDHZALFLJV,UHFFFAOYSA,N,7-Acetoxy-6-methoxycoumarin,HYCLWDHZALFLJV-UHFFFAOYSA-N
HMDB34346,522.238431309,C28H39ClO7,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(Cl)C4(O)CC=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H39ClO7/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-19(29)27(34)9-6-7-20(30)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-19,21,32-35H,8-14H2,1-5H3",DSFWZSDSZFDOMA,UHFFFAOYSA,N,4-Deoxyphysalolactone,DSFWZSDSZFDOMA-UHFFFAOYSA-N
HMDB34347,558.173726424,C28H30O12,CC12OC(=O)C3(O)CCC4C(CC(O)C56OOC(C=C5)C(=O)C46C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5,"InChI=1S/C28H30O12/c1-22-9-16-24(3)28-17(22)19(31)27(39-28,35-10-13(22)20(32)36-16)12-8-15(29)26-7-5-14(38-40-26)18(30)23(26,2)11(12)4-6-25(28,34)21(33)37-24/h5,7,11-17,29,34H,4,6,8-10H2,1-3H3",IRYOOASWRCIZCK,UHFFFAOYSA,N,Physalin K,IRYOOASWRCIZCK-UHFFFAOYSA-N
HMDB34348,426.386166222,C30H50O,C\C=C(\CCC(C)C1CCC2=C3CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,19-21,24-25,27-28,31H,9-18H2,1-7H3/b22-8-",AKVZDXJZUDQNTI,UYOCIXKTSA,N,"(3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-8(14),24(28)-dien-3-ol",AKVZDXJZUDQNTI-UYOCIXKTSA-N
HMDB34349,440.292659768,C28H40O4,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC1=C(OC(C)=O)C=CC(O)=C1O,"InChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-27(32-24(6)29)19-18-26(30)28(25)31/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16-",TVYGOMSIBBSIKO,DCVNSYBLSA,N,Suillin,TVYGOMSIBBSIKO-DCVNSYBLSA-N
HMDB34350,678.064569906,C35H18O15,OC(=O)C(=C1/OC(=O)C(=C1O)C1=CC2=C3C(OC(=O)C3=C1)=C(O)C=C2C1=C(O)\C(OC1=O)=C(\C(O)=O)C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1,"InChI=1S/C35H18O15/c36-15-5-1-12(2-6-15)22(31(41)42)29-26(39)21(34(46)49-29)14-9-17-18(11-20(38)28-24(17)19(10-14)33(45)48-28)25-27(40)30(50-35(25)47)23(32(43)44)13-3-7-16(37)8-4-13/h1-11,36-40H,(H,41,42)(H,43,44)/b29-22-,30-23-",NEAFOYGNZAYARY,TVUQKFFQSA,N,Norbadione A,NEAFOYGNZAYARY-TVUQKFFQSA-N
HMDB34351,960.529380378,C48H80O19,CC(=C)C(=O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C48H80O19/c1-21(2)23(52)10-16-48(8,67-42-39(61)36(58)33(55)26(19-50)63-42)22-9-14-47(7)31(22)24(53)17-29-45(5)13-12-30(44(3,4)28(45)11-15-46(29,47)6)65-43-40(37(59)34(56)27(20-51)64-43)66-41-38(60)35(57)32(54)25(18-49)62-41/h22,24-43,49-51,53-61H,1,9-20H2,2-8H3",UWGVFBVJCVDUPT,UHFFFAOYSA,N,Ginsenoside III,UWGVFBVJCVDUPT-UHFFFAOYSA-N
HMDB34352,546.26175357,C33H38O7,CC(C)=CCC1=C2OC34C5CC(C=C3C(=O)C2=C(O)C2=C1OC(C)(C)C=C2)C(=O)C4(C\C=C(\C)CO)OC5(C)C,"InChI=1S/C33H38O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,19,23,34-35H,9,13,15-16H2,1-7H3/b18-10-",UWZMGTSPGQXAAP,ZDLGFXPLSA,N,Morellinol,UWZMGTSPGQXAAP-ZDLGFXPLSA-N
HMDB34353,544.194461866,C28H32O11,CC12OC(=O)C3(O)CCC4C(CC(O)C5(O)CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3",DUGJJSWZRHBJJK,UHFFFAOYSA,N,Physalin D,DUGJJSWZRHBJJK-UHFFFAOYSA-N
HMDB34354,574.423339588,C35H58O6,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(OC(=O)CCC(=O)OCCO)=C(C)C(C)=C2O1,"InChI=1S/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3",AOBORMOPSGHCAX,UHFFFAOYSA,N,Tocophersolan,AOBORMOPSGHCAX-UHFFFAOYSA-N
HMDB34355,126.031694058,C6H6O3,OCC1=CC=C(O1)C=O,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",NOEGNKMFWQHSLB,UHFFFAOYSA,N,5-Hydroxymethyl-2-furancarboxaldehyde,NOEGNKMFWQHSLB-UHFFFAOYSA-N
HMDB34356,883.492935293,C45H73NO16,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)OC11CCC(C)CN1,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-41-37(55)38(33(51)29(18-48)58-41)60-42-39(35(53)32(50)28(17-47)59-42)61-40-36(54)34(52)31(49)21(3)56-40/h6,19-21,23-42,46-55H,7-18H2,1-5H3",RCTKRNCKOYYRIO,UHFFFAOYSA,N,alpha-Solamarine,RCTKRNCKOYYRIO-UHFFFAOYSA-N
HMDB34357,867.498020671,C45H73NO15,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-41-37(54)35(52)38(29(18-47)58-41)59-42-39(34(51)32(49)22(4)56-42)60-40-36(53)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3",VTYQXQQQKWLGBA,UHFFFAOYSA,N,beta-Solamarine,VTYQXQQQKWLGBA-UHFFFAOYSA-N
HMDB34358,480.090390726,C21H20O13,OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1",FOHXFLPXBUAOJM,MGMURXEASA,N,Myricetin 3-galactoside,FOHXFLPXBUAOJM-MGMURXEASA-N
HMDB34359,480.090390726,C21H20O13,OCC1OC(OC2=CC(=CC(O)=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O,"InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)33-11-2-6(1-9(25)14(11)26)20-18(30)16(28)13-8(24)3-7(23)4-10(13)32-20/h1-4,12,15,17,19,21-27,29-31H,5H2",ZJYAVUPWMNHHEU,UHFFFAOYSA,N,Myricetin 3'-glucoside,ZJYAVUPWMNHHEU-UHFFFAOYSA-N
HMDB34360,464.095476104,C21H20O12,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3",DCYOADKBABEMIQ,UHFFFAOYSA,N,Myricitrin,DCYOADKBABEMIQ-UHFFFAOYSA-N
HMDB34361,696.335706372,C35H52O14,CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1,"InChI=1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3",KQBVSIZPUWODNU,UHFFFAOYSA,N,Olitorin,KQBVSIZPUWODNU-UHFFFAOYSA-N
HMDB34362,550.277797564,C29H42O10,CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O,"InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3",HULMNSIAKWANQO,UHFFFAOYSA,N,Desglucocheirotoxin,HULMNSIAKWANQO-UHFFFAOYSA-N
HMDB34363,325.152537473,C16H23NO6,CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23,"InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3",QVCMHGGNRFRMAD,UHFFFAOYSA,N,Monocrotaline,QVCMHGGNRFRMAD-UHFFFAOYSA-N
HMDB34364,305.068807845,C18H11NO4,CN1C(=O)C(=O)C2=CC3=C(OCO3)C3=C2C1=CC1=CC=CC=C31,"InChI=1S/C18H11NO4/c1-19-12-6-9-4-2-3-5-10(9)15-14(12)11(16(20)18(19)21)7-13-17(15)23-8-22-13/h2-7H,8H2,1H3",RZIGKFTVXWUUCX,UHFFFAOYSA,N,Cepharadione A,RZIGKFTVXWUUCX-UHFFFAOYSA-N
HMDB34365,174.100442324,C7H14N2O3,CCN=C(O)CCC(N)C(O)=O,"InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)",DATAGRPVKZEWHA,UHFFFAOYSA,N,L-Theanine,DATAGRPVKZEWHA-UHFFFAOYSA-N
HMDB34367,278.093642386,C10H18N2O5S,CSCCC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)",RQNSKRXMANOPQY,UHFFFAOYSA,N,N-gamma-L-Glutamyl-L-methionine,RQNSKRXMANOPQY-UHFFFAOYSA-N
HMDB34368,127.026943031,C5H5NO3,OC(=O)C1=CC(O)=CN1,"InChI=1S/C5H5NO3/c7-3-1-4(5(8)9)6-2-3/h1-2,6-7H,(H,8,9)",FCGOBISRCUOUQH,UHFFFAOYSA,N,Hydroxyminaline,FCGOBISRCUOUQH-UHFFFAOYSA-N
HMDB34369,316.240230268,C21H32O2,CC(=O)C1=CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3",SFXPZLCQRZASKK,UHFFFAOYSA,N,"(3beta,5alpha)-3-Hydroxypregn-16-en-20-one",SFXPZLCQRZASKK-UHFFFAOYSA-N
HMDB34370,147.017640673,C5H9NS2,CSCCCN=C=S,"InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3",LDKSCZJUIURGMW,UHFFFAOYSA,N,Ibervirin,LDKSCZJUIURGMW-UHFFFAOYSA-N
HMDB34371,311.152143543,C19H21NO3,O=C(\C=C\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1,"InChI=1S/C19H21NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h1-2,4-5,8-11,14H,3,6-7,12-13,15H2/b2-1+,8-4+,9-5+",DLKOUKNODPCIHZ,UMYWTXKFSA,N,Piperettine,DLKOUKNODPCIHZ-UMYWTXKFSA-N
HMDB34372,112.088815006,C7H12O,CC1=CCCC(O)C1,"InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h3,7-8H,2,4-5H2,1H3",HKVFKEJBSWJQMU,UHFFFAOYSA,N,xi-3-Methyl-3-cyclohexen-1-ol,HKVFKEJBSWJQMU-UHFFFAOYSA-N
HMDB34373,323.318814939,C21H41NO,CCC(C)CCCCCCCCCCCCC(=O)N1CCCC1,"InChI=1S/C21H41NO/c1-3-20(2)16-12-10-8-6-4-5-7-9-11-13-17-21(23)22-18-14-15-19-22/h20H,3-19H2,1-2H3",VRAFLAJRBDTYBS,UHFFFAOYSA,N,N-(14-Methylhexadecanoyl)pyrrolidine,VRAFLAJRBDTYBS-UHFFFAOYSA-N
HMDB34374,618.413168832,C36H58O8,COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2,"InChI=1S/C36H58O8/c1-20-11-16-36(30(40)42-8)18-17-33(5)21(28(36)35(20,7)41)9-10-24-32(4)14-13-25(31(2,3)23(32)12-15-34(24,33)6)44-29-27(39)26(38)22(37)19-43-29/h9,20,22-29,37-39,41H,10-19H2,1-8H3",ZCWVJVNYHGWIEF,UHFFFAOYSA,N,19-Methoxypomolic acid 3-arabinoside,ZCWVJVNYHGWIEF-UHFFFAOYSA-N
HMDB34375,934.513730314,C46H78O19,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C46H78O19/c1-20(19-59-41-38(56)35(53)32(50)28(16-47)61-41)8-13-46(58-5)21(2)31-27(65-46)15-26-24-7-6-22-14-23(9-11-44(22,3)25(24)10-12-45(26,31)4)60-43-40(37(55)34(52)30(18-49)63-43)64-42-39(57)36(54)33(51)29(17-48)62-42/h20-43,47-57H,6-19H2,1-5H3",FDASUPFDHLZNSK,UHFFFAOYSA,N,"(3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-[glucosyl-(1->2)-glucoside] 26-glucoside",FDASUPFDHLZNSK-UHFFFAOYSA-N
HMDB34376,270.089208936,C16H14O4,CC(C)=CCOC1=C2OC(=O)C=CC2=CC2=C1OC=C2,"InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3",OLOOJGVNMBJLLR,UHFFFAOYSA,N,Imperatorin,OLOOJGVNMBJLLR-UHFFFAOYSA-N
HMDB34377,134.040150254,C5H10O2S,COC(=O)CCSC,"InChI=1S/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3",DMMJVMYCBULSIS,UHFFFAOYSA,N,Methyl 3-(methylthio)propanoate,DMMJVMYCBULSIS-UHFFFAOYSA-N
HMDB34378,136.088815006,C9H12O,CC(O)C1=CC=C(C)C=C1,"InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3",JESIHYIJKKUWIS,UHFFFAOYSA,N,(±)-1-(4-Methylphenyl)ethanol,JESIHYIJKKUWIS-UHFFFAOYSA-N
HMDB34379,1364.624856482,C64H100O31,CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C1O,"InChI=1S/C64H100O31/c1-24-34(69)38(73)49(93-54-44(79)41(76)46(25(2)87-54)90-53-45(80)47(29(68)22-85-53)91-52-42(77)35(70)28(67)21-84-52)56(86-24)95-58(83)64-17-15-59(3,4)19-27(64)26-9-10-32-60(5)13-12-33(61(6,23-66)31(60)11-14-63(32,8)62(26,7)16-18-64)89-57-50(40(75)39(74)48(92-57)51(81)82)94-55-43(78)37(72)36(71)30(20-65)88-55/h9,23-25,27-50,52-57,65,67-80H,10-22H2,1-8H3,(H,81,82)",WTPMILJLGNKZSN,UHFFFAOYSA,N,Silenoside A,WTPMILJLGNKZSN-UHFFFAOYSA-N
HMDB34380,410.448766478,C28H58O,CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3",CNNRPFQICPFDPO,UHFFFAOYSA,N,1-Octacosanol,CNNRPFQICPFDPO-UHFFFAOYSA-N
HMDB34381,294.255880332,C19H34O2,CCCCC\C=C/C\C=C\CCCCCCCC(=O)OC,"InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10+",WTTJVINHCBCLGX,QEFCTBRHSA,N,Methyl linoleate,WTTJVINHCBCLGX-QEFCTBRHSA-N
HMDB34382,276.20893014,C18H28O2,CCCC\C=C\C=C/C#CCCCCCCCC(O)=O,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-8H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7-",ONYHYSLZNLJFHX,MDAAKZFYSA,N,"(E,E)-11,13-Octadecadien-9-ynoic acid",ONYHYSLZNLJFHX-MDAAKZFYSA-N
HMDB34384,246.089208936,C14H14O4,OC(=O)\C=C/C=C/C=C/C=C\C=C\C=C/C(O)=O,"InChI=1S/C14H14O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H,(H,15,16)(H,17,18)/b3-1-,4-2+,7-5+,8-6+,11-9-,12-10-",PXPBPRNNNVMUEY,GTLDOENYSA,N,Corticrocin,PXPBPRNNNVMUEY-GTLDOENYSA-N
HMDB34385,860.78329106,C55H104O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25+",WRXCJQWYSUUELD,IMVLJIQESA,N,Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate,WRXCJQWYSUUELD-IMVLJIQESA-N
HMDB34386,888.814591188,C57H108O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,54H,4-24,26-27,29-53H2,1-3H3/b28-25+",YFFIQXNTTVSKJC,AZPGRJICSA,N,"Glycerol 1,2-dioctadecanoate 3-(9Z-octadecenoate)",YFFIQXNTTVSKJC-AZPGRJICSA-N
HMDB34387,666.464810472,C45H62O4,COC(=O)\C=C/C(/C)=C\C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(\C)/C=C\C(=O)OC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C45H62O4/c1-36(2)18-13-21-39(5)24-14-25-40(6)26-17-29-43(9)34-35-49-45(47)33-31-42(8)28-16-23-38(4)20-12-11-19-37(3)22-15-27-41(7)30-32-44(46)48-10/h11-12,15-16,18-20,22-24,26-28,30-34H,13-14,17,21,25,29,35H2,1-10H3/b12-11+,22-15-,23-16+,32-30-,33-31-,37-19+,38-20-,39-24+,40-26+,41-27-,42-28-,43-34-",DFRROFUPJNRAIP,UGJJRUAASA,N,trans-Geranylgeranylbixin,DFRROFUPJNRAIP-UGJJRUAASA-N
HMDB34388,666.464810472,C45H62O4,COC(=O)\C=C\C(\C)=C/C=C\C(\C)=C\C=C\C=C(\C)/C=C/C=C(/C)\C=C/C(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C45H62O4/c1-36(2)18-13-21-39(5)24-14-25-40(6)26-17-29-43(9)34-35-49-45(47)33-31-42(8)28-16-23-38(4)20-12-11-19-37(3)22-15-27-41(7)30-32-44(46)48-10/h11-12,15-16,18-20,22-24,26-28,30-34H,13-14,17,21,25,29,35H2,1-10H3/b12-11+,22-15-,23-16+,32-30+,33-31-,37-19+,38-20-,39-24+,40-26+,41-27-,42-28-,43-34+",DFRROFUPJNRAIP,ZNJYWFSWSA,N,cis-Geranylgeranylbixin,DFRROFUPJNRAIP-ZNJYWFSWSA-N
HMDB34389,1410.63033579,C65H102O33,CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C65H102O33/c1-23-34(71)40(77)49(97-56-51(96-55-45(82)39(76)37(74)29(20-67)91-55)46(83)47(24(2)89-56)93-53-43(80)35(72)27(69)21-87-53)57(88-23)98-59(86)65-16-15-60(3,4)17-26(65)25-9-10-31-61(5)13-12-33(62(6,22-68)30(61)11-14-63(31,7)64(25,8)18-32(65)70)92-58-50(42(79)41(78)48(94-58)52(84)85)95-54-44(81)38(75)36(73)28(19-66)90-54/h9,22-24,26-51,53-58,66-67,69-83H,10-21H2,1-8H3,(H,84,85)",NJIPVRTTZILMPP,UHFFFAOYSA,N,Silenoside B,NJIPVRTTZILMPP-UHFFFAOYSA-N
HMDB34390,1542.672594534,C70H110O37,CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C70H110O37/c1-24-36(77)43(84)53(105-61-54(104-59-46(87)41(82)39(80)30(19-71)98-59)48(89)50(25(2)97-61)101-57-44(85)37(78)28(74)21-94-57)62(96-24)107-64(93)70-16-15-65(3,4)17-27(70)26-9-10-33-66(5)13-12-35(67(6,23-73)32(66)11-14-68(33,7)69(26,8)18-34(70)76)100-63-55(106-60-47(88)42(83)40(81)31(20-72)99-60)51(49(90)52(103-63)56(91)92)102-58-45(86)38(79)29(75)22-95-58/h9,23-25,27-55,57-63,71-72,74-90H,10-22H2,1-8H3,(H,91,92)",CXYICQJQCAFDTE,UHFFFAOYSA,N,Silenoside C,CXYICQJQCAFDTE-UHFFFAOYSA-N
HMDB34391,592.361133262,C33H52O9,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C33H52O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)12-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)8-9-31(18,3)21(20)13-25(35)32(22,26)4/h16-24,26-30,34,36-38H,5-15H2,1-4H3",NVCUAFIUMZCPGV,UHFFFAOYSA,N,Agavoside A,NVCUAFIUMZCPGV-UHFFFAOYSA-N
HMDB34392,518.324353826,C30H46O7,CC1C(CC(O)C(C)(O)C2CCC3C4CC=C5CC(O)CC(OC(C)=O)C5(C)C4CCC23C)COC1=O,"InChI=1S/C30H46O7/c1-16-18(15-36-27(16)34)12-25(33)30(5,35)24-9-8-22-21-7-6-19-13-20(32)14-26(37-17(2)31)29(19,4)23(21)10-11-28(22,24)3/h6,16,18,20-26,32-33,35H,7-15H2,1-5H3",ODRFODNLKCBNIK,UHFFFAOYSA,N,Perulactone,ODRFODNLKCBNIK-UHFFFAOYSA-N
HMDB34393,504.272318256,C28H40O8,CC1C(C)C(=O)OC1C(O)C(C)(O)C1C(O)CC2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3",PHBPDHFIJFLEGD,UHFFFAOYSA,N,Ixocarpalactone A,PHBPDHFIJFLEGD-UHFFFAOYSA-N
HMDB34394,166.04860645,C6H14OS2,CCCSS(=O)CCC,"InChI=1S/C6H14OS2/c1-3-5-8-9(7)6-4-2/h3-6H2,1-2H3",XPRZAEWSYWTDSQ,UHFFFAOYSA,N,S-Propyl 1-propanesulfinothioate,XPRZAEWSYWTDSQ-UHFFFAOYSA-N
HMDB34395,250.015591762,C9H14O2S3,C=CCSS\C=C/CS(=O)(=O)CC=C,"InChI=1S/C9H14O2S3/c1-3-6-12-13-7-5-9-14(10,11)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-",OBJCYMGLWKMJIK,ALCCZGGFSA,N,2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide,OBJCYMGLWKMJIK-ALCCZGGFSA-N
HMDB34396,756.21129372,C33H40O20,CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H40O20/c1-10-19(37)23(41)27(45)32(48-10)49-13-6-14(36)18-15(7-13)50-29(11-2-4-12(35)5-3-11)30(22(18)40)53-33-28(46)25(43)21(39)17(52-33)9-47-31-26(44)24(42)20(38)16(8-34)51-31/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3",QFSDWLPMRWDFID,UHFFFAOYSA,N,Kaempferol 3-gentiobioside 7-rhamnoside,QFSDWLPMRWDFID-UHFFFAOYSA-N
HMDB34397,916.539551134,C47H80O17,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-41-38(58)35(55)33(53)26(19-48)60-41)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)62-42-39(36(56)34(54)27(20-49)61-42)63-40-37(57)32(52)25(51)21-59-40/h10,23-42,48-58H,9,11-21H2,1-8H3",GOHCSRAOXZPHFO,UHFFFAOYSA,N,Vinaginsenoside R16,GOHCSRAOXZPHFO-UHFFFAOYSA-N
HMDB34398,916.539551134,C47H80O17,CC(C)=CCCC(C)(OC1OCC(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-40-37(57)32(52)25(51)21-59-40)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)62-42-39(36(56)34(54)27(20-49)61-42)63-41-38(58)35(55)33(53)26(19-48)60-41/h10,23-42,48-58H,9,11-21H2,1-8H3",SDGBHJVMUHVFOC,UHFFFAOYSA,N,Vinaginsenoside R17,SDGBHJVMUHVFOC-UHFFFAOYSA-N
HMDB34399,384.33921603,C27H44O,CC(C)CCCC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-20,23-25H,6-9,11-17H2,1-5H3",FLRPNSKUGCVRRB,UHFFFAOYSA,N,5alpha-Cholest-7-en-3-one,FLRPNSKUGCVRRB-UHFFFAOYSA-N
HMDB34400,502.256668192,C28H38O8,CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CC=C2C3CC4OC5CC(=O)C(C)(C3CCC12C)C4(O)C5O,"InChI=1S/C28H38O8/c1-13-10-20(36-23(31)14(13)2)26(5,32)27(33)9-7-16-15-11-21-28(34)22(30)18(35-21)12-19(29)25(28,4)17(15)6-8-24(16,27)3/h7,15,17-18,20-22,30,32-34H,6,8-12H2,1-5H3",YZKXYOSYQKJNOD,UHFFFAOYSA,N,Withaperuvin F,YZKXYOSYQKJNOD-UHFFFAOYSA-N
HMDB34401,416.36543078,C28H48O2,CC(C)CCCC(C)C1CCC2(C)C3CC(O)C4CC(O)CCC44CC34CCC12C,"InChI=1S/C28H48O2/c1-18(2)7-6-8-19(3)21-10-11-26(5)24-16-23(30)22-15-20(29)9-12-27(22)17-28(24,27)14-13-25(21,26)4/h18-24,29-30H,6-17H2,1-5H3",YYVUMXYSCXRWIL,UHFFFAOYSA,N,Cyclostenol,YYVUMXYSCXRWIL-UHFFFAOYSA-N
HMDB34402,558.21011193,C29H34O11,COC12CC=CC(=O)C1(C)C1CCC3(O)C(=O)OC4(C)C5CC6(C)C7C(=O)C(OC347)(OCC6C(=O)O5)C1CC2O,"InChI=1S/C29H34O11/c1-23-11-18-25(3)29-19(23)20(32)28(40-29,37-12-15(23)21(33)38-18)14-10-17(31)27(36-4)8-5-6-16(30)24(27,2)13(14)7-9-26(29,35)22(34)39-25/h5-6,13-15,17-19,31,35H,7-12H2,1-4H3",PKBKMEUABLQCJI,UHFFFAOYSA,N,Physalin I,PKBKMEUABLQCJI-UHFFFAOYSA-N
HMDB34403,430.308309832,C27H42O4,CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3",GDKGOXUWEBGZBY,UHFFFAOYSA,N,Barogenin,GDKGOXUWEBGZBY-UHFFFAOYSA-N
HMDB34404,594.15847029,C27H30O15,OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(CO)C=C2OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O,"InChI=1S/C27H30O15/c28-6-9-4-11-17(13(5-9)40-27-25(38)23(36)20(33)15(8-30)42-27)21(34)16-10(18(11)31)2-1-3-12(16)39-26-24(37)22(35)19(32)14(7-29)41-26/h1-5,14-15,19-20,22-30,32-33,35-38H,6-8H2",QMABOQTWWJKODW,UHFFFAOYSA,N,"1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside",QMABOQTWWJKODW-UHFFFAOYSA-N
HMDB34405,432.10564686,C21H20O10,OCC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O,"InChI=1S/C21H20O10/c22-6-13-17(26)19(28)20(29)21(31-13)30-7-8-4-10-15(12(24)5-8)18(27)14-9(16(10)25)2-1-3-11(14)23/h1-5,13,17,19-24,26,28-29H,6-7H2",ASQHVCDULHERIH,UHFFFAOYSA,N,w-O-beta-D-Glucopyranosylaloeemodin,ASQHVCDULHERIH-UHFFFAOYSA-N
HMDB34406,272.214015518,C19H28O,CC12CCC3C(CCC4CC(=O)CCC34C)C1CC=C2,"InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3",HFVMLYAGWXSTQI,UHFFFAOYSA,N,5alpha-Androst-16-en-3-one,HFVMLYAGWXSTQI-UHFFFAOYSA-N
HMDB34407,412.370516158,C29H48O,CCC(CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)=C(C)C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20,22-23,25-27,30H,7-10,12-18H2,1-6H3",STLJXSQSUAPXFX,UHFFFAOYSA,N,Peposterol,STLJXSQSUAPXFX-UHFFFAOYSA-N
HMDB34408,446.375995466,C29H50O3,CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O,"InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3",LTVDFSLWFKLJDQ,UHFFFAOYSA,N,alpha-Tocopherolquinone,LTVDFSLWFKLJDQ-UHFFFAOYSA-N
HMDB34409,270.05282343,C15H10O5,CC1=CC2=C(C=C1O)C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C15H10O5/c1-6-4-7-8(5-11(6)18)15(20)13-10(17)3-2-9(16)12(13)14(7)19/h2-5,16-18H,1H3",RLTYFLICIIZAKQ,UHFFFAOYSA,N,Rhababerone,RLTYFLICIIZAKQ-UHFFFAOYSA-N
HMDB34410,422.084911418,C19H18O11,OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC3=C(C=C(O)C(O)=C3)C2=O)C=C1O,"InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2",AEDDIBAIWPIIBD,UHFFFAOYSA,N,Mangiferin,AEDDIBAIWPIIBD-UHFFFAOYSA-N
HMDB34411,324.136159128,C20H20O4,CC1(C)OC2=C(C=C1)C(O)=C(C=C2)C1COC2=C(C1)C=CC(O)=C2,"InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3",UUJBHSNXZMGYBT,UHFFFAOYSA,N,Phaseollinisoflavan,UUJBHSNXZMGYBT-UHFFFAOYSA-N
HMDB34412,338.151809192,C21H22O4,COC1=C(C=CC2=C1C=COC2(C)C)C1COC2=C(C1)C=CC(O)=C2,"InChI=1S/C21H22O4/c1-21(2)18-7-6-16(20(23-3)17(18)8-9-25-21)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-9,11,14,22H,10,12H2,1-3H3",FHUJPAOFRVLFNQ,UHFFFAOYSA,N,2'-O-Methylphaseollinisoflavan,FHUJPAOFRVLFNQ-UHFFFAOYSA-N
HMDB34413,151.009184477,C7H5NOS,O=C1NSC2=CC=CC=C12,"InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)",DMSMPAJRVJJAGA,UHFFFAOYSA,N,"1,2-Benzisothiazol-3(2H)-one",DMSMPAJRVJJAGA-UHFFFAOYSA-N
HMDB34414,354.146723814,C21H22O5,COC1=C(O)C(O)=C(C=C1)C1COC2=C(C1)C=CC1=C2C=CC(C)(C)O1,"InChI=1S/C21H22O5/c1-21(2)9-8-15-16(26-21)6-4-12-10-13(11-25-20(12)15)14-5-7-17(24-3)19(23)18(14)22/h4-9,13,22-23H,10-11H2,1-3H3",PPBISUGOQDBBEL,UHFFFAOYSA,N,3'-Hydroxy-4'-methoxyglabridin,PPBISUGOQDBBEL-UHFFFAOYSA-N
HMDB34415,470.266838948,C28H38O6,CC1=C(C)C(=O)OC(C1)C(C)(O)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",DXWHOKCXBGLTMQ,UHFFFAOYSA,N,Withanolide A,DXWHOKCXBGLTMQ-UHFFFAOYSA-N
HMDB34416,151.978812326,C4H8S3,CSSSCC=C,"InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3",JGMPRNFEEAJLAJ,UHFFFAOYSA,N,Methyl 2-propenyl trisulfide,JGMPRNFEEAJLAJ-UHFFFAOYSA-N
HMDB34417,1374.63033579,C62H102O33,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CC(=O)C3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C62H102O33/c1-21(19-83-54-46(78)42(74)39(71)31(15-63)87-54)8-11-62(82)22(2)36-30(95-62)13-28-26-7-6-24-12-25(9-10-60(24,4)27(26)14-35(68)61(28,36)5)86-57-48(80)44(76)50(33(17-65)89-57)91-58-49(81)52(93-56-47(79)41(73)37(69)23(3)85-56)51(34(18-66)90-58)92-59-53(43(75)40(72)32(16-64)88-59)94-55-45(77)38(70)29(67)20-84-55/h21-34,36-59,63-67,69-82H,6-20H2,1-5H3",IDJXJAJYEFRBPY,UHFFFAOYSA,N,Agavoside G,IDJXJAJYEFRBPY-UHFFFAOYSA-N
HMDB34418,400.370516158,C28H48O,CC(C)CCCC(C)C1CCC2(C)C3CCC4CC(O)CCC44CC34CCC12C,"InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)23-12-13-26(5)24-10-9-21-17-22(29)11-14-27(21)18-28(24,27)16-15-25(23,26)4/h19-24,29H,6-18H2,1-5H3",HXQRIQXPGMPSRW,UHFFFAOYSA,N,Pollinastanol,HXQRIQXPGMPSRW-UHFFFAOYSA-N
HMDB34419,574.423339588,C35H58O6,CCC(\C=C\C(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+",VWDLOXMZIGUBKM,CMDGGOBGSA,N,Stigmasteryl glucoside,VWDLOXMZIGUBKM-CMDGGOBGSA-N
HMDB34420,650.60018174,C45H78O2,CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)\C=C\C(CC)C(C)C,"InChI=1S/C45H78O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h23-25,34-36,38-42H,8-22,26-33H2,1-7H3/b24-23+",OHLDETMXEXJUDZ,WCWDXBQESA,N,Palmitoylstigmasterol,OHLDETMXEXJUDZ-WCWDXBQESA-N
HMDB34421,396.302830524,C27H40O2,[H][C@]1(C)CC[C@]2(O[C@H]3CC4C5CC=C6C=CCC[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C)OC1,"InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18-,20?,21?,22?,23-,24-,25-,26-,27+/m0/s1",YEQBGJNMHDZXRG,HCDRJGBUSA,N,"delta3,5-Deoxyneotigogenin",YEQBGJNMHDZXRG-HCDRJGBUSA-N
HMDB34422,428.36543078,C29H48O2,CCC(CCC(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O)C(C)C,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3",ICFXJOAKQGDRCT,UHFFFAOYSA,N,3-Hydroxystigmast-5-en-7-one,ICFXJOAKQGDRCT-UHFFFAOYSA-N
HMDB34423,448.355260024,C28H48O4,CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3",SBSXXCCMIWEPEE,UHFFFAOYSA,N,2-Deoxycastasterone,SBSXXCCMIWEPEE-UHFFFAOYSA-N
HMDB34424,446.303224454,C27H42O5,CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(O)(CO)CO1,"InChI=1S/C27H42O5/c1-16-23-22(32-27(16)11-10-26(30,14-28)15-31-27)13-21-19-5-4-17-12-18(29)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3",LAJZFNUUUUJYJR,UHFFFAOYSA,N,Spirotaccagenin,LAJZFNUUUUJYJR-UHFFFAOYSA-N
HMDB34425,208.041412582,C8H16S3,CCC(C)SSC\C=C\SC,"InChI=1S/C8H16S3/c1-4-8(2)11-10-7-5-6-9-3/h5-6,8H,4,7H2,1-3H3/b6-5+",JNQZEVXCRPIXDB,AATRIKPKSA,N,(+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide,JNQZEVXCRPIXDB-AATRIKPKSA-N
HMDB34426,162.053691828,C7H14S2,CCC(C)SS\C=C\C,"InChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+",IOVUOUZQSDBAQN,GQCTYLIASA,N,(-)-1-Methylpropyl 1-propenyl disulfide,IOVUOUZQSDBAQN-GQCTYLIASA-N
HMDB34427,170.13067982,C10H18O2,CCCC(=O)OC1CCCCC1,"InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3",VZHUBBUZNIULNM,UHFFFAOYSA,N,Cyclohexyl butanoate,VZHUBBUZNIULNM-UHFFFAOYSA-N
HMDB34428,184.146329884,C11H20O2,CC(C)CC(=O)OC1CCCCC1,"InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3",SQPOKBBCNZIWFI,UHFFFAOYSA,N,Cyclohexyl 3-methylbutanoate,SQPOKBBCNZIWFI-UHFFFAOYSA-N
HMDB34429,184.146329884,C11H20O2,CCCCC(=O)OC1CCCCC1,"InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3",YLCHTSSXNSNXSW,UHFFFAOYSA,N,Cyclohexyl pentanoate,YLCHTSSXNSNXSW-UHFFFAOYSA-N
HMDB34430,462.370910088,C29H50O4,C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-10-11-22-20-9-8-18-14-24(30)25(31)15-29(18,6)23(20)12-13-28(21,22)5/h7,16-18,20-27,30-33H,8-15H2,1-6H3/b19-7+",GQSRIBUSVVSLSQ,FBCYGCLPSA,N,6-Deoxohomodolichosterone,GQSRIBUSVVSLSQ-FBCYGCLPSA-N
HMDB34431,72.057514878,C4H8O,CC1(C)CO1,"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3",GELKGHVAFRCJNA,UHFFFAOYSA,N,"2,2-Dimethyloxirane",GELKGHVAFRCJNA-UHFFFAOYSA-N
HMDB34432,450.4436811,C30H58O2,CCCCCCCC\C=C\CCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C30H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h9-10H,2-8,11-29H2,1H3,(H,31,32)/b10-9+",QXYCISFUJXCMSU,MDZDMXLPSA,N,Lumequic acid,QXYCISFUJXCMSU-MDZDMXLPSA-N
HMDB34433,656.305743648,C33H44N4O10,CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(CN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)NC(=O)N=C12)OC(=O)CCC,"InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)",MJNIWUJSIGSWKK,UHFFFAOYSA,N,"Riboflavine 2',3',4',5'-tetrabutanoate",MJNIWUJSIGSWKK-UHFFFAOYSA-N
HMDB34434,490.220282686,C26H34O9,COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(O)C34OC(CC(O)C13C)(OC)OC4(C)C)O2,"InChI=1S/C26H34O9/c1-12-14-11-32-21(29)18(14)20(30-6)13-8-15-23(4,33-19(12)13)9-17(28)26-22(2,3)34-25(31-7,35-26)10-16(27)24(15,26)5/h15-17,27-28H,8-11H2,1-7H3",UHBMKIHOBUKYRH,UHFFFAOYSA,N,Austalide F,UHBMKIHOBUKYRH-UHFFFAOYSA-N
HMDB34435,272.104859,C16H16O4,COC1=CC(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1,"InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3",MDMCODCJMHTFIZ,UHFFFAOYSA,N,"1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone",MDMCODCJMHTFIZ-UHFFFAOYSA-N
HMDB34436,394.141638436,C23H22O6,[H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C,"InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1",JUVIOZPCNVVQFO,HBGVWJBISA,N,Rotenone,JUVIOZPCNVVQFO-HBGVWJBISA-N
HMDB34437,154.07825032,C12H10,C1=CC=C(C=C1)C1=CC=CC=C1,InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H,ZUOUZKKEUPVFJK,UHFFFAOYSA,N,Biphenyl,ZUOUZKKEUPVFJK-UHFFFAOYSA-N
HMDB34438,286.084123558,C16H14O5,CC(=C)C(O)COC1=C2C=COC2=CC2=C1C=CC(=O)O2,"InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3",BVMOMQJYQYBMKL,UHFFFAOYSA,N,(R)-Pabulenol,BVMOMQJYQYBMKL-UHFFFAOYSA-N
HMDB34439,86.036779436,C4H6O2,C\C=C/C(O)=O,"InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-",LDHQCZJRKDOVOX,IHWYPQMZSA,N,Isocrotonic acid,LDHQCZJRKDOVOX-IHWYPQMZSA-N
HMDB34440,194.025762518,C7H14S3,CCC(SC)SS\C=C\C,"InChI=1S/C7H14S3/c1-4-6-9-10-7(5-2)8-3/h4,6-7H,5H2,1-3H3/b6-4+",IBBCARUEUHCYHK,GQCTYLIASA,N,(-)-1-(Methylthio)propyl 1-propenyl disulfide,IBBCARUEUHCYHK-GQCTYLIASA-N
HMDB34441,545.300204761,C31H39N5O4,CNC(C(C)C)C(=O)NC1C(OC2=CC=C(C=C2)\C=C/NC(=O)C(CC2=CNC3=CC=CC=C23)NC1=O)C(C)C,"InChI=1S/C31H39N5O4/c1-18(2)26(32-5)30(38)36-27-28(19(3)4)40-22-12-10-20(11-13-22)14-15-33-29(37)25(35-31(27)39)16-21-17-34-24-9-7-6-8-23(21)24/h6-15,17-19,25-28,32,34H,16H2,1-5H3,(H,33,37)(H,35,39)(H,36,38)/b15-14-",SBDJWBSJRCPRDV,PFONDFGASA,N,Americine,SBDJWBSJRCPRDV-PFONDFGASA-N
HMDB34442,159.053157781,C6H9NO4,NC(C1CC1C(O)=O)C(O)=O,"InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)",GZOVEPYOCJWRFC,UHFFFAOYSA,N,L-trans-alpha-Amino-2-carboxycyclopropaneacetic acid,GZOVEPYOCJWRFC-UHFFFAOYSA-N
HMDB34443,300.063388116,C16H12O6,COC1=CC(O)=CC2=C1C(=O)C1=C(C=C(CO)C=C1O)C2=O,"InChI=1S/C16H12O6/c1-22-12-5-8(18)4-10-14(12)16(21)13-9(15(10)20)2-7(6-17)3-11(13)19/h2-5,17-19H,6H2,1H3",SNBGJGNOQURXCI,UHFFFAOYSA,N,Questinol,SNBGJGNOQURXCI-UHFFFAOYSA-N
HMDB34444,286.047738052,C15H10O6,OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2=O,"InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2",YQHZABGPIPECSQ,UHFFFAOYSA,N,Citreorosein,YQHZABGPIPECSQ-UHFFFAOYSA-N
HMDB34445,282.05282343,C16H10O5,OC1=C2C(=O)C=C(OC2=CC2=C1OCO2)C1=CC=CC=C1,"InChI=1S/C16H10O5/c17-10-6-11(9-4-2-1-3-5-9)21-12-7-13-16(20-8-19-13)15(18)14(10)12/h1-7,18H,8H2",NJIUXIXNVAHRDW,UHFFFAOYSA,N,Cochliophilin A,NJIUXIXNVAHRDW-UHFFFAOYSA-N
HMDB34446,170.073164942,C12H10O,O(C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,USIUVYZYUHIAEV,UHFFFAOYSA,N,Diphenyl ether,USIUVYZYUHIAEV-UHFFFAOYSA-N
HMDB34447,428.168247116,C20H28O10,CC1OC(OC2C(OC3=CC=C(C=C)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C20H28O10/c1-3-10-4-6-11(7-5-10)28-20-18(16(25)14(23)12(8-21)29-20)30-19-17(26)15(24)13(22)9(2)27-19/h3-7,9,12-26H,1,8H2,2H3",DIBOBJSTTKLQQV,UHFFFAOYSA,N,Ptelatoside B,DIBOBJSTTKLQQV-UHFFFAOYSA-N
HMDB34448,124.034670946,C7H8S,CSC1=CC=CC=C1,"InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",HNKJADCVZUBCPG,UHFFFAOYSA,N,Methyl phenyl sulfide,HNKJADCVZUBCPG-UHFFFAOYSA-N
HMDB34449,288.07864425,C19H12O3,OC1=CC=C(C=C1)C1=C2C(=O)C(O)=CC3=CC=CC(C=C1)=C23,"InChI=1S/C19H12O3/c20-14-7-4-11(5-8-14)15-9-6-12-2-1-3-13-10-16(21)19(22)18(15)17(12)13/h1-10,20-21H",HTELDEYOMOTOBI,UHFFFAOYSA,N,Hydroxyanigorufone,HTELDEYOMOTOBI-UHFFFAOYSA-N
HMDB34450,194.13067982,C12H18O2,CCCCC1OC(=O)C2=CCCCC12,"InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3",UPJFTVFLSIQQAV,UHFFFAOYSA,N,Neocnidilide,UPJFTVFLSIQQAV-UHFFFAOYSA-N
HMDB34451,310.28718046,C20H38O2,CCCCCCCC\C=C\CCCCCCCC(=O)OCC,"InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11+",LVGKNOAMLMIIKO,VAWYXSNFSA,N,Ethyl oleate,LVGKNOAMLMIIKO-VAWYXSNFSA-N
HMDB34452,168.115029756,C10H16O2,CCCCCC1CC=CC(=O)O1,"InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3",NEDIAPMWNCQWNW,UHFFFAOYSA,N,"5,6-Dihydro-6-pentyl-2H-pyran-2-one",NEDIAPMWNCQWNW-UHFFFAOYSA-N
HMDB34453,234.017306322,C12H10OS2,OCCC#CC1=CC=C(S1)C1=CC=CS1,"InChI=1S/C12H10OS2/c13-8-2-1-4-10-6-7-12(15-10)11-5-3-9-14-11/h3,5-7,9,13H,2,8H2",ASKPCVROMAYWEF,UHFFFAOYSA,N,"4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol",ASKPCVROMAYWEF-UHFFFAOYSA-N
HMDB34454,276.027871008,C14H12O2S2,CC(=O)OCCC#CC1=CC=C(S1)C1=CC=CS1,"InChI=1S/C14H12O2S2/c1-11(15)16-9-3-2-5-12-7-8-14(18-12)13-6-4-10-17-13/h4,6-8,10H,3,9H2,1H3",KHPAKGUGOFYJNA,UHFFFAOYSA,N,"5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene",KHPAKGUGOFYJNA-UHFFFAOYSA-N
HMDB34455,240.20893014,C15H28O2,O=C1CCCCCCCCCCCCCCO1,InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2,FKUPPRZPSYCDRS,UHFFFAOYSA,N,Exaltolide,FKUPPRZPSYCDRS-UHFFFAOYSA-N
HMDB34456,186.161979948,C11H22O2,CC(C)CCCCCCCC(O)=O,"InChI=1S/C11H22O2/c1-10(2)8-6-4-3-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)",VSAJTRPXXNCHGB,UHFFFAOYSA,N,9-Methyldecanoic acid,VSAJTRPXXNCHGB-UHFFFAOYSA-N
HMDB34457,172.146329884,C10H20O2,CCCCCCC(=O)OCCC,"InChI=1S/C10H20O2/c1-3-5-6-7-8-10(11)12-9-4-2/h3-9H2,1-2H3",UWZVPQKWYFZLLW,UHFFFAOYSA,N,Propyl heptanoate,UWZVPQKWYFZLLW-UHFFFAOYSA-N
HMDB34458,186.161979948,C11H22O2,CCCCCCC(=O)OCC(C)C,"InChI=1S/C11H22O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h10H,4-9H2,1-3H3",HXJOYVPESRRCDB,UHFFFAOYSA,N,Isobutyl enanthate,HXJOYVPESRRCDB-UHFFFAOYSA-N
HMDB34459,144.115029756,C8H16O2,CCCCCCCOC=O,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3",XEAMDSXSXYAICO,UHFFFAOYSA,N,Heptyl formate,XEAMDSXSXYAICO-UHFFFAOYSA-N
HMDB34460,186.161979948,C11H22O2,CCCCCCCOC(=O)CCC,"InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3",JPQHLIYIQARLQM,UHFFFAOYSA,N,Heptyl butanoate,JPQHLIYIQARLQM-UHFFFAOYSA-N
HMDB34461,228.20893014,C14H28O2,CCCCCCCOC(=O)CCCCCC,"InChI=1S/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3",QOIIBPAJVWFEPE,UHFFFAOYSA,N,Heptyl heptanoate,QOIIBPAJVWFEPE-UHFFFAOYSA-N
HMDB34462,236.141244506,C14H20O3,CCCCCCCOC(=O)C1=CC=C(O)C=C1,"InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3",ZTJORNVITHUQJA,UHFFFAOYSA,N,Heptyl 4-hydroxybenzoate,ZTJORNVITHUQJA-UHFFFAOYSA-N
HMDB34463,500.204632622,C27H32O9,CC1OC(=O)C23C(=C)C(C)(OC(=O)C12O)C(OC(C)=O)C1=C(C)C2(CCC31C)C=CC(=O)OC2(C)C,"InChI=1S/C27H32O9/c1-13-18-19(34-16(4)28)24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(18,7)11-12-25(13)10-9-17(29)35-22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3",DEMDOYQPCDXCEB,UHFFFAOYSA,N,Austin,DEMDOYQPCDXCEB-UHFFFAOYSA-N
HMDB34464,458.194067936,C25H30O8,CC1OC(=O)C23C(=C)C(C)(OC(=O)C12O)C(O)C1=C(C)C2(CCC31C)C=CC(=O)OC2(C)C,"InChI=1S/C25H30O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,17,27,30H,2,10-11H2,1,3-7H3",DNKFADXVMUNRRM,UHFFFAOYSA,N,Austinol,DNKFADXVMUNRRM-UHFFFAOYSA-N
HMDB34465,86.073164942,C5H10O,C\C=C(/C)CO,"InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3+",NEJDKFPXHQRVMV,HWKANZROSA,N,2-Methyl-2-buten-1-ol,NEJDKFPXHQRVMV-HWKANZROSA-N
HMDB34466,116.047344122,C5H8O3,CC(=O)COC(C)=O,"InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3",DBERHVIZRVGDFO,UHFFFAOYSA,N,Acetoxyacetone,DBERHVIZRVGDFO-UHFFFAOYSA-N
HMDB34469,206.13067982,C13H18O2,CCCC(=O)OCC(C)C1=CC=CC=C1,"InChI=1S/C13H18O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3",SKLXPNZDCBPHCS,UHFFFAOYSA,N,2-Phenylpropyl butyrate,SKLXPNZDCBPHCS-UHFFFAOYSA-N
HMDB34470,206.13067982,C13H18O2,CC(C)C(=O)OCC(C)C1=CC=CC=C1,"InChI=1S/C13H18O2/c1-10(2)13(14)15-9-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3",LZTCJUAHYXNKRE,UHFFFAOYSA,N,2-Phenylpropyl isobutyrate,LZTCJUAHYXNKRE-UHFFFAOYSA-N
HMDB34471,164.083729628,C10H12O2,O=COCCCC1=CC=CC=C1,"InChI=1S/C10H12O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2",AMHRXSOVSAQOKL,UHFFFAOYSA,N,3-Phenylpropyl formate,AMHRXSOVSAQOKL-UHFFFAOYSA-N
HMDB34472,206.13067982,C13H18O2,CC(C)C(=O)OCCCC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3",VBTAKMZSMFMLGT,UHFFFAOYSA,N,3-Phenylpropyl 2-methylpropanoate,VBTAKMZSMFMLGT-UHFFFAOYSA-N
HMDB34473,654.221345318,C36H34N2O10,COC1=C(OC)C2=C(C=C1)C(=O)C1=C(O)C(C3C(OC4=C3C3=C(C(O)=C4)C(=O)C4=C(N3C)C(O)=CC=C4)C(C)(C)O)=C(OC)C=C1N2C,"InChI=1S/C36H34N2O10/c1-36(2,44)35-27(25-22(48-35)14-19(40)24-30(25)38(4)28-15(32(24)42)9-8-10-18(28)39)26-21(46-6)13-17-23(33(26)43)31(41)16-11-12-20(45-5)34(47-7)29(16)37(17)3/h8-14,27,35,39-40,43-44H,1-7H3",RHEWDZDNLMBJJF,UHFFFAOYSA,N,Citbismine F,RHEWDZDNLMBJJF-UHFFFAOYSA-N
HMDB34474,378.167853186,C20H26O7,C\C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12,"InChI=1S/C20H26O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h6-7,13-16,21,24H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14+,15-,16-,19+,20-/m0/s1",WGVJNQGTZSPMCY,GEYOPIBESA,N,Niveusin C,WGVJNQGTZSPMCY-GEYOPIBESA-N
HMDB34475,362.172938564,C20H26O6,C\C=C(\C)C(=O)OC1CC(=C)C(O)CC(O)\C(C)=C/C2OC(=O)C(=C)C12,"InChI=1S/C20H26O6/c1-6-10(2)19(23)25-16-7-11(3)14(21)9-15(22)12(4)8-17-18(16)13(5)20(24)26-17/h6,8,14-18,21-22H,3,5,7,9H2,1-2,4H3/b10-6-,12-8-",SDFKKMBWIQKUOQ,RXDMEISQSA,N,Hydroxyisonobilin,SDFKKMBWIQKUOQ-RXDMEISQSA-N
HMDB34484,739.450676549,C39H65NO12,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3",KNFKROLCBJOHLX,UHFFFAOYSA,N,Lycoperoside D,KNFKROLCBJOHLX-UHFFFAOYSA-N
HMDB34485,1091.551238031,C52H85NO23,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11NCC(C)CC1OC(C)=O,"InChI=1S/C52H85NO23/c1-20-12-33(68-22(3)57)52(53-15-20)21(2)34-29(76-52)14-27-25-7-6-23-13-24(8-10-50(23,4)26(25)9-11-51(27,34)5)69-47-42(66)39(63)43(32(18-56)72-47)73-49-45(75-48-41(65)38(62)36(60)30(16-54)70-48)44(37(61)31(17-55)71-49)74-46-40(64)35(59)28(58)19-67-46/h20-21,23-49,53-56,58-66H,6-19H2,1-5H3",POWISKNFFRUCCW,UHFFFAOYSA,N,(23R)-Acetoxytomatine,POWISKNFFRUCCW-UHFFFAOYSA-N
HMDB34489,311.115758037,C18H17NO4,CN1(=O)CCC2=CC3=C(OCO3)C3=C2C1C(O)C1=CC=CC=C31,"InChI=1S/C18H17NO4/c1-19(21)7-6-10-8-13-18(23-9-22-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3",PQQSHMZUVWGXSV,UHFFFAOYSA,N,(+)-Norushinsunine N-oxide,PQQSHMZUVWGXSV-UHFFFAOYSA-N
HMDB34491,200.104859,C10H16O4,CC1(C)C(CCC1(C)C(O)=O)C(O)=O,"InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)",LSPHULWDVZXLIL,UHFFFAOYSA,N,(±)-Camphoric acid,LSPHULWDVZXLIL-UHFFFAOYSA-N
HMDB34492,424.209718,C22H32O8,CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1CC(OC(C)=O)C21CO1,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3",PHHROXLDZHUIGO,UHFFFAOYSA,N,Dihydrovaltrate,PHHROXLDZHUIGO-UHFFFAOYSA-N
HMDB34493,212.068473494,C10H12O5,OCC1=COC(O)C2C1=CC(O)C21CO1,"InChI=1S/C10H12O5/c11-2-5-3-14-9(13)8-6(5)1-7(12)10(8)4-15-10/h1,3,7-9,11-13H,2,4H2",OHFUJVGMWXATSG,UHFFFAOYSA,N,Valtrate,OHFUJVGMWXATSG-UHFFFAOYSA-N
HMDB34494,480.199547244,C24H32O10,CC(C)CC(=O)OC1OC=C(COC(C)=O)C2=CC(OC(=O)CC(C)(C)OC(C)=O)C3(CO3)C12,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3",FWKBQAVMKVZEOT,UHFFFAOYSA,N,Acevaltrate,FWKBQAVMKVZEOT-UHFFFAOYSA-N
HMDB34495,262.229665582,C18H30O,CC(C)=CCC\C(C)=C/CC\C(C)=C\CCC(C)=O,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11-,17-13+",LTUMRKDLVGQMJU,HSVQFRAPSA,N,"6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one",LTUMRKDLVGQMJU-HSVQFRAPSA-N
HMDB34496,280.276615774,C19H36O,CC(C)CCCC(C)CCCC(C)CCCC(=C)C=O,"InChI=1S/C19H36O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-18H,5-14H2,1-4H3",PTFJEDBJXCZCDO,UHFFFAOYSA,N,"6,10,14-Trimethyl-2-methylenepentadecanal",PTFJEDBJXCZCDO-UHFFFAOYSA-N
HMDB34497,268.31300128,C19H40,CC(C)CCCC(C)CCCC(C)CCCC(C)C,"InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3",XOJVVFBFDXDTEG,UHFFFAOYSA,N,meso-Pristane,XOJVVFBFDXDTEG-UHFFFAOYSA-N
HMDB34498,218.203450832,C16H26,CC(C)=CCC\C(C)=C/CC\C(C)=C\C=C,"InChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13-",CWLVBFJCJXHUCF,ZAYWLTRMSA,N,"(3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene",CWLVBFJCJXHUCF-ZAYWLTRMSA-N
HMDB34500,504.345089268,C30H48O6,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1)C(O)=O,"InChI=1S/C30H48O6/c1-25(2)9-11-30(24(35)36)12-10-28(5)17(18(30)13-25)7-8-21-26(3)14-20(33)23(34)27(4,16-31)22(26)19(32)15-29(21,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)",IDQVFXZQPGAVAM,UHFFFAOYSA,N,Protobassic acid,IDQVFXZQPGAVAM-UHFFFAOYSA-N
HMDB34501,504.345089268,C30H48O6,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1O)C(O)=O,"InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)",IFIQVSCCFRXSJV,UHFFFAOYSA,N,Tomentosic acid,IFIQVSCCFRXSJV-UHFFFAOYSA-N
HMDB34502,488.350174646,C30H48O5,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)",RWNHLTKFBKYDOJ,UHFFFAOYSA,N,Arjunolic acid,RWNHLTKFBKYDOJ-UHFFFAOYSA-N
HMDB34503,630.376783326,C36H54O9,CC(=O)OCC1(C)C(OC(C)=O)C(CC2(C)C1CCC1(C)C2CC=C2C3C(O)C(C)(C)CCC3(CCC12C)C(O)=O)OC(C)=O,"InChI=1S/C36H54O9/c1-20(37)43-19-33(7)25-12-13-35(9)26(32(25,6)18-24(44-21(2)38)29(33)45-22(3)39)11-10-23-27-28(40)31(4,5)14-16-36(27,30(41)42)17-15-34(23,35)8/h10,24-29,40H,11-19H2,1-9H3,(H,41,42)",YZUXOBYCNWIMKP,UHFFFAOYSA,N,"2,3,23-Triacetylsericic acid",YZUXOBYCNWIMKP-UHFFFAOYSA-N
HMDB34504,666.397912698,C36H58O11,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1O)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3",CMZFNIMQBCBHEX,UHFFFAOYSA,N,Sericoside,CMZFNIMQBCBHEX-UHFFFAOYSA-N
HMDB34505,474.370910088,C30H50O4,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1O,"InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3",CDDWAYFUFNQLRZ,UHFFFAOYSA,N,Soyasapogenol A,CDDWAYFUFNQLRZ-UHFFFAOYSA-N
HMDB34506,440.36543078,C30H48O2,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C=C1,"InChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3",VNGUCOGHCJHFID,UHFFFAOYSA,N,Soyasapogenol C,VNGUCOGHCJHFID-UHFFFAOYSA-N
HMDB34507,472.39164553,C31H52O3,COC1CC(C)(C)CC2=C3CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC12C,"InChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3",JAQZKPHHLRTVCY,UHFFFAOYSA,N,Soyasapogenol D,JAQZKPHHLRTVCY-UHFFFAOYSA-N
HMDB34508,470.33960996,C30H46O4,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5C(O)CC34C)C2C1)C(O)=O,"InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-21,23,31H,9-17H2,1-7H3,(H,33,34)",GBMBQYFNPMVAMS,UHFFFAOYSA,N,6beta-Hydroxy-3-oxo-12-oleanen-28-oic acid,GBMBQYFNPMVAMS-UHFFFAOYSA-N
HMDB34509,680.610746426,C46H80O3,CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CO)CCC32C)C1(C)C,"InChI=1S/C46H80O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)49-39-26-27-43(6)37(42(39,4)5)25-28-45(8)38(43)24-23-35-36-33-41(2,3)29-31-46(36,34-47)32-30-44(35,45)7/h23,36-39,47H,9-22,24-34H2,1-8H3",ZOXWEJMCUKRYDD,UHFFFAOYSA,N,Erythrodiol 3-palmitate,ZOXWEJMCUKRYDD-UHFFFAOYSA-N
HMDB34510,596.516846042,C40H68O3,CCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CO)CCC32C)C1(C)C,"InChI=1S/C40H68O3/c1-9-10-11-12-13-14-15-16-34(42)43-33-20-21-37(6)31(36(33,4)5)19-22-39(8)32(37)18-17-29-30-27-35(2,3)23-25-40(30,28-41)26-24-38(29,39)7/h17,30-33,41H,9-16,18-28H2,1-8H3",GFJZQJRUULUPGX,UHFFFAOYSA,N,Erythrodiol 3-decanoate,GFJZQJRUULUPGX-UHFFFAOYSA-N
HMDB34511,440.36543078,C30H48O2,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C=O,"InChI=1S/C30H48O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-24,32H,9-18H2,1-7H3",STHRNDDZYFUIDO,UHFFFAOYSA,N,Oleanolic aldehyde,STHRNDDZYFUIDO-UHFFFAOYSA-N
HMDB34512,484.318874518,C30H44O5,[H][C@@]12C[C@](C)([C@H]3C[C@]1(C)[C@@H](C[C@]1(C)C2=CC(=O)C2[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]12C)O3)C(O)=O,"InChI=1S/C30H44O5/c1-25(2)19-8-11-29(6)23(26(19,3)10-9-20(25)32)18(31)12-16-17-13-28(5,24(33)34)21-14-27(17,4)22(35-21)15-30(16,29)7/h12,17,19-23,32H,8-11,13-15H2,1-7H3,(H,33,34)/t17-,19?,20-,21+,22+,23?,26-,27-,28+,29+,30+/m0/s1",NGWKGSCSHDHHAJ,YPFQVHCOSA,N,Liquoric acid,NGWKGSCSHDHHAJ-YPFQVHCOSA-N
HMDB34513,440.401816286,C31H52O,COC1CCC2(C)C(CCC3(C)C2CCC2C4=CC(C)(C)CCC4(C)CCC32C)C1(C)C,"InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h20-21,23-25H,10-19H2,1-9H3",YZBNXQLCEJJXSC,UHFFFAOYSA,N,Miliacin,YZBNXQLCEJJXSC-UHFFFAOYSA-N
HMDB34514,556.428031036,C39H56O2,CC1(C)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC(=O)\C=C\C6=CC=CC=C6)C(C)(C)C5CCC34C)C2=C1,"InChI=1S/C39H56O2/c1-34(2)22-23-36(5)24-25-38(7)28(29(36)26-34)15-16-31-37(6)20-19-32(35(3,4)30(37)18-21-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-14,17,26,28,30-32H,15-16,18-25H2,1-8H3/b17-14+",WWIUVLNRTOHDES,SAPNQHFASA,N,Germanicol cinnamate,WWIUVLNRTOHDES-SAPNQHFASA-N
HMDB34515,468.323959896,C30H44O4,CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C1C2,"InChI=1S/C30H44O4/c1-25(2)20-8-11-30(7)23(28(20,5)10-9-21(25)32)19(31)14-17-18-15-26(3)16-22(34-24(26)33)27(18,4)12-13-29(17,30)6/h14,18,20-23,32H,8-13,15-16H2,1-7H3",SSHDNSCEQSPWIM,UHFFFAOYSA,N,Glabrolide,SSHDNSCEQSPWIM-UHFFFAOYSA-N
HMDB34516,484.355260024,C31H48O4,COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1,"InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3",RMIVRCBSQPCSCQ,UHFFFAOYSA,N,"3b,18b-3-Methoxy-11-oxo-12-oleanen-30-oic acid",RMIVRCBSQPCSCQ-UHFFFAOYSA-N
HMDB34517,470.33960996,C30H46O4,[H][C@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1",MPDGHEJMBKOTSU,PMTKVOBESA,N,beta-Glycyrrhetinic acid,MPDGHEJMBKOTSU-PMTKVOBESA-N
HMDB34518,504.345089268,C30H48O6,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O,"InChI=1S/C30H48O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,15,18-24,32-36H,8-14,16H2,1-6H3",PADNECYMNLPKRN,UHFFFAOYSA,N,Theasapogenol E,PADNECYMNLPKRN-UHFFFAOYSA-N
HMDB34519,506.360739332,C30H50O6,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O,"InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3",VKJLHZZPVLQJKG,UHFFFAOYSA,N,Theasapogenol A,VKJLHZZPVLQJKG-UHFFFAOYSA-N
HMDB34520,646.371697948,C36H54O10,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)",NUSHOJSYOLRGAX,UHFFFAOYSA,N,Gypsogenin 3-O-b-D-glucuronide,NUSHOJSYOLRGAX-UHFFFAOYSA-N
HMDB34521,460.39164553,C30H52O3,CC1(C)CCC2(C)CCC3(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4C(O)CC3(O)C2C1,"InChI=1S/C30H52O3/c1-24(2)13-14-26(5)15-16-29(8)28(7)12-9-20-25(3,4)22(32)10-11-27(20,6)23(28)19(31)17-30(29,33)21(26)18-24/h19-23,31-33H,9-18H2,1-8H3",PVMLWBWORNCCPQ,UHFFFAOYSA,N,"(3beta,11alpha,13beta)-3,11,13-Oleananetriol",PVMLWBWORNCCPQ-UHFFFAOYSA-N
HMDB34522,822.403785936,C42H62O16,CC1(C)C(CCC2(C=O)C1CCC1(C)C2CCC2C3=CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O,"InChI=1S/C42H62O16/c1-37(2)21-9-11-41(6)22(8-7-19-20-17-39(4,36(53)54)14-13-38(20,3)15-16-40(19,41)5)42(21,18-43)12-10-23(37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h17-19,21-31,34-35,44-48H,7-16H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)",XNLFIERPGXTDDP,UHFFFAOYSA,N,Periandrin I,XNLFIERPGXTDDP-UHFFFAOYSA-N
HMDB34523,472.355260024,C30H48O4,CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CO)CCC3(CCC12C)C(O)=O,"InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)",CZWBKSDPBWNHGO,UHFFFAOYSA,N,Queretaroic acid,CZWBKSDPBWNHGO-UHFFFAOYSA-N
HMDB34525,490.36582471,C30H50O5,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3",AYDKOFQQBHRXEW,UHFFFAOYSA,N,Barringtogenol C,AYDKOFQQBHRXEW-UHFFFAOYSA-N
HMDB34526,486.334524582,C30H46O5,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5=CCC34C)C2C1)C(O)=O,"InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,9,19-20,22-23,31-33H,8,10-17H2,1-6H3,(H,34,35)",FJGGNIPUSLFYJJ,UHFFFAOYSA,N,Bassic acid,FJGGNIPUSLFYJJ-UHFFFAOYSA-N
HMDB34527,1074.597459942,C54H90O21,CC1OC(OC2C(CO)OC(OC3CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CO)CCC54C)C(C)(C)C3OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C54H90O21/c1-23-32(58)34(60)38(64)45(68-23)73-42-28(20-55)71-47(40(66)36(42)62)70-27-19-51(7)30(12-13-53(9)31(51)11-10-25-26-18-49(3,4)14-16-54(26,22-57)17-15-52(25,53)8)50(5,6)44(27)75-48-41(67)37(63)43(29(21-56)72-48)74-46-39(65)35(61)33(59)24(2)69-46/h10,23-24,26-48,55-67H,11-22H2,1-9H3",IQEJZVREAFVGNP,UHFFFAOYSA,N,Melilotin,IQEJZVREAFVGNP-UHFFFAOYSA-N
HMDB34528,474.370910088,C30H50O4,CC1(C)CC(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1,"InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3",CTNHZEZBBGIUJB,UHFFFAOYSA,N,Camelliagenin A,CTNHZEZBBGIUJB-UHFFFAOYSA-N
HMDB34529,514.36582471,C32H50O5,CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC23C)C2CC(C)(C)CC(O)C12C=O,"InChI=1S/C32H50O5/c1-19(34)37-26-17-31(8)20(21-15-27(2,3)16-25(36)32(21,26)18-33)9-10-23-29(6)13-12-24(35)28(4,5)22(29)11-14-30(23,31)7/h9,18,21-26,35-36H,10-17H2,1-8H3",RVLOLIBRTUMCPC,UHFFFAOYSA,N,16-Acetylpriverogenin A,RVLOLIBRTUMCPC-UHFFFAOYSA-N
HMDB34530,472.355260024,C30H48O4,CC1(C)CC(O)C2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1,"InChI=1S/C30H48O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,17,19-24,32-34H,9-16H2,1-7H3",QBWHAELJLKYXDB,UHFFFAOYSA,N,Priverogenin A,QBWHAELJLKYXDB-UHFFFAOYSA-N
HMDB34531,488.350174646,C30H48O5,CC1(C)CC(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC34C)C2C1,"InChI=1S/C30H48O5/c1-25(2)13-19-18-7-8-21-26(3)11-10-22(33)27(4,16-31)20(26)9-12-28(21,5)29(18,6)15-24(35)30(19,17-32)23(34)14-25/h7,16,19-24,32-35H,8-15,17H2,1-6H3",RJEBVLDZINEMCO,UHFFFAOYSA,N,Camelliagenin B,RJEBVLDZINEMCO-UHFFFAOYSA-N
HMDB34532,490.36582471,C30H50O5,CC1(C)CC(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1,"InChI=1S/C30H50O5/c1-25(2)13-19-18-7-8-21-26(3)11-10-22(33)27(4,16-31)20(26)9-12-28(21,5)29(18,6)15-24(35)30(19,17-32)23(34)14-25/h7,19-24,31-35H,8-17H2,1-6H3",SPCSEMLFKVZFJN,UHFFFAOYSA,N,Camelliagenin C,SPCSEMLFKVZFJN-UHFFFAOYSA-N
HMDB34533,794.44525682,C42H66O14,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)",BQPYEFAVIPEQIK,UHFFFAOYSA,N,Spinasaponin A,BQPYEFAVIPEQIK-UHFFFAOYSA-N
HMDB34534,956.49808025,C48H76O19,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)",NFZYDZXHKFHPGA,UHFFFAOYSA,N,Ginsenoside Ro,NFZYDZXHKFHPGA-UHFFFAOYSA-N
HMDB34535,926.487515564,C47H74O18,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-33(55)30(52)28(50)23(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)31(53)35(36(64-40)37(57)58)63-38-32(54)29(51)24(20-49)60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)",KQSFNXMDCOFFGW,UHFFFAOYSA,N,Araloside A,KQSFNXMDCOFFGW-UHFFFAOYSA-N
HMDB34536,1058.529774308,C52H82O22,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(OC7OC(CO)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C52H82O22/c1-47(2)14-16-52(46(66)74-44-36(62)33(59)30(56)24(19-53)69-44)17-15-50(6)22(23(52)18-47)8-9-28-49(5)12-11-29(48(3,4)27(49)10-13-51(28,50)7)70-45-37(63)38(71-42-34(60)31(57)25(20-54)67-42)39(40(73-45)41(64)65)72-43-35(61)32(58)26(21-55)68-43/h8,23-40,42-45,53-63H,9-21H2,1-7H3,(H,64,65)",GNGCEHDGLXJQOH,UHFFFAOYSA,N,Araloside B,GNGCEHDGLXJQOH-UHFFFAOYSA-N
HMDB34537,1088.540338994,C53H84O23,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-36(63)33(60)31(58)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-37(64)34(61)40(41(75-46)42(66)67)74-43-38(65)39(24(56)21-69-43)73-44-35(62)32(59)30(57)25(19-54)70-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)",DBUJWVDNMXCCKD,UHFFFAOYSA,N,Araloside C,DBUJWVDNMXCCKD-UHFFFAOYSA-N
HMDB34538,734.460512954,C41H66O11,CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(O)=O)C3(C)C)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C41H66O11/c1-21-28(42)30(44)32(46)34(50-21)51-24-20-49-33(31(45)29(24)43)52-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)",AHIONNAGCSGVAB,UHFFFAOYSA,N,Mubenin B,AHIONNAGCSGVAB-UHFFFAOYSA-N
HMDB34539,618.392039459,C39H54O6,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)\C=C/C6=CC=C(O)C=C6)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10-",KWLOAKAXMOYBRK,GDNBJRDFSA,N,3-O-cis-Coumaroylmaslinic acid,KWLOAKAXMOYBRK-GDNBJRDFSA-N
HMDB34540,810.440171442,C42H66O15,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C42H66O15/c1-37(2)13-15-42(36(52)53)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-30(49)31(29(48)32(57-35)33(50)51)56-34-28(47)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)",JDGKHHCYVKBIIT,UHFFFAOYSA,N,Spinasaponin B,JDGKHHCYVKBIIT-UHFFFAOYSA-N
HMDB34541,428.329045274,C28H44O3,CC(C)C(C)\C=C\C(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)CC11OC1C3O,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+",PCIZFQVDNDHRPP,BQYQJAHWSA,N,"5,6-Epoxiergosta-8,22-diene-3,7-diol",PCIZFQVDNDHRPP-BQYQJAHWSA-N
HMDB34542,1398.666721296,C65H106O32,CC1OC(OC2C(OC3C(O)C(O)C(OC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6(C)CCC54C)C3(C)CO)C(O)=O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C65H106O32/c1-24-35(71)40(76)45(81)54(87-24)97-52-48(93-55-46(82)41(77)37(73)28(19-66)88-55)39(75)30(21-68)90-59(52)96-51-44(80)43(79)49(53(84)85)94-58(51)91-33-12-13-62(5)31(63(33,6)23-69)11-14-65(8)32(62)10-9-25-26-17-60(2,3)18-34(61(26,4)15-16-64(25,65)7)92-57-50(36(72)27(70)22-86-57)95-56-47(83)42(78)38(74)29(20-67)89-56/h9,24,26-52,54-59,66-83H,10-23H2,1-8H3,(H,84,85)",CVBNNQMCORDBAG,UHFFFAOYSA,N,Soyasapogenol B 3-O-[a-L-rhamnosyl-(1->2)-[b-D-glucosyl-(1->3)]-b-D-galactosyl-(1->2)-b-D-glucuronide] 22-O-[b-D-glucosyl-(1->2)-a-L-arabinoside],CVBNNQMCORDBAG-UHFFFAOYSA-N
HMDB34543,1098.52468893,C54H82O23,CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(O)=O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1,"InChI=1S/C54H82O23/c1-22-32(58)25(57)17-31(70-22)72-30-19-49(2,3)18-24-23-9-10-28-51(5)13-12-29(52(6,21-56)27(51)11-14-54(28,8)53(23,7)16-15-50(24,30)4)73-47-42(37(63)35(61)40(74-47)44(66)67)77-48-43(38(64)36(62)41(75-48)45(68)69)76-46-39(65)34(60)33(59)26(20-55)71-46/h9,24,26-31,33-43,46-48,55-56,58-65H,10-21H2,1-8H3,(H,66,67)(H,68,69)",XIOUCIKZATWNIJ,UHFFFAOYSA,N,AzII,XIOUCIKZATWNIJ-UHFFFAOYSA-N
HMDB34544,1082.529774308,C54H82O22,CC1OC(OC2C(O)C(O)C(OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC6CC(=O)C(O)=C(C)O6)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C54H82O22/c1-22-32(57)26(56)18-31(69-22)71-30-20-49(3,4)19-25-24-10-11-28-51(6)14-13-29(52(7,21-55)27(51)12-15-54(28,9)53(24,8)17-16-50(25,30)5)72-47-42(37(62)35(60)40(73-47)44(65)66)76-48-43(38(63)36(61)41(74-48)45(67)68)75-46-39(64)34(59)33(58)23(2)70-46/h10,23,25,27-31,33-43,46-48,55,57-64H,11-21H2,1-9H3,(H,65,66)(H,67,68)",MISLOXVLNGPFID,UHFFFAOYSA,N,AzIII,MISLOXVLNGPFID-UHFFFAOYSA-N
HMDB34545,1084.545424372,C54H84O22,CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1,"InChI=1S/C54H84O22/c1-23-34(59)26(58)17-33(69-23)72-32-19-49(2,3)18-25-24-9-10-30-51(5)13-12-31(52(6,22-57)29(51)11-14-54(30,8)53(24,7)16-15-50(25,32)4)73-48-44(40(65)39(64)42(74-48)45(67)68)76-47-43(38(63)36(61)28(21-56)71-47)75-46-41(66)37(62)35(60)27(20-55)70-46/h9,25,27-33,35-44,46-48,55-57,59-66H,10-22H2,1-8H3,(H,67,68)",YLBMNMLHAAOXAL,UHFFFAOYSA,N,AzIV,YLBMNMLHAAOXAL-UHFFFAOYSA-N
HMDB34546,836.455821506,C44H68O15,CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C=O)C(O)C(O)C1O,"InChI=1S/C44H68O15/c1-22(47)55-20-26-31(49)33(51)34(52)36(57-26)58-29-11-12-40(4)27(41(29,5)21-46)10-13-43(7)28(40)9-8-23-24-18-39(2,3)14-16-44(24,17-15-42(23,43)6)38(54)59-37-35(53)32(50)30(48)25(19-45)56-37/h8,21,24-37,45,48-53H,9-20H2,1-7H3",FNSXRAISABPGKU,UHFFFAOYSA,N,Lucyoside M,FNSXRAISABPGKU-UHFFFAOYSA-N
HMDB34547,898.492600942,C46H74O17,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C46H74O17/c1-41(2)13-15-46(40(56)57)16-14-44(5)22(23(46)17-41)7-8-28-42(3)11-10-29(43(4,21-48)27(42)9-12-45(28,44)6)61-38-35(31(52)25(50)20-59-38)63-39-36(33(54)32(53)26(18-47)60-39)62-37-34(55)30(51)24(49)19-58-37/h7,23-39,47-55H,8-21H2,1-6H3,(H,56,57)",NMFXQSHZSKXLRM,UHFFFAOYSA,N,Medicoside C,NMFXQSHZSKXLRM-UHFFFAOYSA-N
HMDB34548,1093.545758723,C55H83NO21,CNC1=CC=C(C=C1)C(=O)OC1CC2(C)CCC3(C)C4(OC4CC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2(O)CC1(C)C=O,"InChI=1S/C55H83NO21/c1-48(24-59)23-54(69)49(2,19-35(48)74-44(68)26-8-10-27(56-7)11-9-26)16-17-53(6)52(5)15-12-31-50(3,32(52)18-34-55(53,54)77-34)14-13-33(51(31,4)25-60)75-47-43(76-46-42(67)40(65)37(62)29(21-58)72-46)38(63)30(22-70-47)73-45-41(66)39(64)36(61)28(20-57)71-45/h8-11,24,28-43,45-47,56-58,60-67,69H,12-23,25H2,1-7H3",CEZSTVGNCDXFGA,UHFFFAOYSA,N,Avenacin A1,CEZSTVGNCDXFGA-UHFFFAOYSA-N
HMDB34549,458.375995466,C30H50O3,CC1(C)CC(O)C2(CO)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1,"InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-29(22,7)28(19,6)14-15-30(20,18-31)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3",YXTURDGNXCWFHX,UHFFFAOYSA,N,22alpha-Hydroxyerythrodiol,YXTURDGNXCWFHX-UHFFFAOYSA-N
HMDB34550,442.381080844,C30H50O2,CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1,"InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3",VLRYIIPJIVGFIV,UHFFFAOYSA,N,Maniladiol,VLRYIIPJIVGFIV-UHFFFAOYSA-N
HMDB34551,502.329439204,C30H46O6,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O,"InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)",IDGXIXSKISLYAC,UHFFFAOYSA,N,Medicagenic acid,IDGXIXSKISLYAC-UHFFFAOYSA-N
HMDB34552,664.382262634,C36H56O11,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O,"InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)",XCHARIIIZLLEBL,UHFFFAOYSA,N,Medicagenic acid 3-O-beta-D-glucoside,XCHARIIIZLLEBL-UHFFFAOYSA-N
HMDB34553,534.407295594,C36H54O3,CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)COC(=O)C1=CC=CC=C1,"InChI=1S/C36H54O3/c1-6-26(25(3)23-39-34(38)27-10-8-7-9-11-27)13-12-24(2)31-16-17-32-30-15-14-28-22-29(37)18-20-35(28,4)33(30)19-21-36(31,32)5/h7-11,14,24-26,29-33,37H,6,12-13,15-23H2,1-5H3",BJZQJLWLEFGCBH,UHFFFAOYSA,N,"(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol",BJZQJLWLEFGCBH-UHFFFAOYSA-N
HMDB34554,288.179755276,C12H24N4O4,CC(NC(=O)C(N)CC(O)=O)NC(=O)N(C)C(C)(C)C,"InChI=1S/C12H24N4O4/c1-7(14-10(19)8(13)6-9(17)18)15-11(20)16(5)12(2,3)4/h7-8H,6,13H2,1-5H3,(H,14,19)(H,15,20)(H,17,18)",ACQJWVPNGVNRCD,UHFFFAOYSA,N,Sakacin A,ACQJWVPNGVNRCD-UHFFFAOYSA-N
HMDB34555,454.381080844,C31H50O2,CC(CCC(=C)C(C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C,"InChI=1S/C31H50O2/c1-20(22(3)18-32)8-9-21(2)23-12-14-29(7)25-11-10-24-27(4,5)26(33)13-15-30(24)19-31(25,30)17-16-28(23,29)6/h21-25,32H,1,8-19H2,2-7H3",OKILVWSNJYSCMZ,UHFFFAOYSA,N,(25S)-26-Hydroxy-24-methylenecycloartan-3-one,OKILVWSNJYSCMZ-UHFFFAOYSA-N
HMDB34556,206.13067982,C13H18O2,CC(=O)OC(C)(C)CCC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3",ZXFNOEJFYLQUSB,UHFFFAOYSA,N,3-Acetoxy-3-methyl-1-phenylbutane,ZXFNOEJFYLQUSB-UHFFFAOYSA-N
HMDB34557,246.219494826,C14H30O3,CCOC(CC(C)CCCC(C)(C)O)OCC,"InChI=1S/C14H30O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h12-13,15H,6-11H2,1-5H3",XOJDKWNFMFCXNE,UHFFFAOYSA,N,"8,8-Diethoxy-2,6-dimethyl-2-octanol",XOJDKWNFMFCXNE-UHFFFAOYSA-N
HMDB34558,330.167853186,C16H26O7,CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C1(C)C(=O)C2,"InChI=1S/C16H26O7/c1-15(2)7-4-9(18)16(15,3)10(5-7)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-8,10-14,17,19-21H,4-6H2,1-3H3",XBXUOFIJMNLOGI,UHFFFAOYSA,N,6-Hydroxy-2-bornanone glucoside,XBXUOFIJMNLOGI-UHFFFAOYSA-N
HMDB34559,978.26411715,C44H50O25,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(O)C(O)C(CO)OC3OC3=C(OC4=C(C(O)=C(OC)C(O)=C4)C3=O)C3=CC(OC)=C(O)C=C3)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C44H50O25/c1-59-22-10-16(4-7-18(22)47)5-9-27(51)66-41-38(67-42-35(58)33(56)29(52)25(13-45)64-42)21(50)15-62-43(41)69-40-34(57)30(53)26(14-46)65-44(40)68-39-32(55)28-24(12-20(49)37(61-3)31(28)54)63-36(39)17-6-8-19(48)23(11-17)60-2/h4-12,21,25-26,29-30,33-35,38,40-50,52-54,56-58H,13-15H2,1-3H3/b9-5+",ISCKCKJULNOYCD,WEVVVXLNSA,N,Mesembryanthin,ISCKCKJULNOYCD-WEVVVXLNSA-N
HMDB34560,592.506675286,C37H68O5,CCCCCCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H68O5/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-14-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3",RJFLREBFQAUBLY,UHFFFAOYSA,N,cis-Uvariamicin IV,RJFLREBFQAUBLY-UHFFFAOYSA-N
HMDB34561,226.193280076,C14H26O2,CCCCCCCCCCCC(=O)CC=O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13H,2-12H2,1H3",XLYLQUQHYUOPIW,UHFFFAOYSA,N,Houttuynin,XLYLQUQHYUOPIW-UHFFFAOYSA-N
HMDB34562,234.161979948,C15H22O2,OCCCCCCCC\C=C\C(O)C#CC#C,"InChI=1S/C15H22O2/c1-2-3-12-15(17)13-10-8-6-4-5-7-9-11-14-16/h1,10,13,15-17H,4-9,11,14H2/b13-10+",KIIGQXVIHZSFAX,JLHYYAGUSA,N,"9-Pentadecene-12,14-diyne-1,11-diol",KIIGQXVIHZSFAX-JLHYYAGUSA-N
HMDB34563,134.073164942,C9H10O,C\C=C\C#CC#CCCO,"InChI=1S/C9H10O/c1-2-3-4-5-6-7-8-9-10/h2-3,10H,8-9H2,1H3/b3-2+",BPNAUFVEGQLPFM,NSCUHMNNSA,N,"7-Nonene-3,5-diyn-1-ol",BPNAUFVEGQLPFM-NSCUHMNNSA-N
HMDB34564,224.141244506,C13H20O3,OC(=O)CCCCCCC\C=C\C=C\C=O,"InChI=1S/C13H20O3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h4,6,8,10,12H,1-3,5,7,9,11H2,(H,15,16)/b6-4+,10-8+",XHDHWGKEDVWKAN,ONNLMXTPSA,N,"13-Oxo-9,11-tridecadienoic acid",XHDHWGKEDVWKAN-ONNLMXTPSA-N
HMDB34565,1001.280101565,C46H51NO24,COC1=CC(=CC=C1O)C1C2C(C3=CC(O)=C(OC4OC(COC(=O)CC5C(=O)NC6=C5C=CC=C6)C(O)C(O)C4O)C=C13)C(=O)OC1C(O)C(COC2=O)OC1(CO)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C46H51NO24/c1-63-24-8-16(6-7-22(24)50)30-19-10-25(66-44-38(58)37(57)34(54)27(68-44)13-64-29(52)11-20-17-4-2-3-5-21(17)47-41(20)60)23(51)9-18(19)31-32(30)42(61)65-14-28-35(55)40(69-43(31)62)46(15-49,70-28)71-45-39(59)36(56)33(53)26(12-48)67-45/h2-10,20,26-28,30-40,44-45,48-51,53-59H,11-15H2,1H3,(H,47,60)",YKJNAQAMDVTTGV,UHFFFAOYSA,N,Secaloside A,YKJNAQAMDVTTGV-UHFFFAOYSA-N
HMDB34566,378.21547208,C20H30N2O5,COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(O)=O)NCCC(C)(C)C,"InChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24)",HLIAVLHNDJUHFG,UHFFFAOYSA,N,Neotame,HLIAVLHNDJUHFG-UHFFFAOYSA-N
HMDB34567,472.355260024,C30H48O4,CC(CC(O)\C=C(\C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C30H48O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16-",MZUPEDPADUBWHX,MNDPQUGUSA,N,"(3beta,23xi)-3,23-Dihydroxycycloart-24-en-26-oic acid",MZUPEDPADUBWHX-MNDPQUGUSA-N
HMDB34568,470.33960996,C30H46O4,CC(CC(O)\C=C(\C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C,"InChI=1S/C30H46O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-23,31H,7-15,17H2,1-6H3,(H,33,34)/b19-16-",WQMAGDSBYCIARL,MNDPQUGUSA,N,23-Hydroxy-3-oxocycloart-24-en-26-oic acid,WQMAGDSBYCIARL-MNDPQUGUSA-N
HMDB34569,758.226943784,C33H42O20,COC1=CC(OC2OC(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C2C(O)=C3C(=O)C=C(C)OC3=CC2=C1,"InChI=1S/C33H42O20/c1-10-3-13(36)20-14(48-10)5-11-4-12(46-2)6-15(19(11)24(20)40)49-32-27(43)26(42)22(38)18(52-32)9-47-31-29(45)30(23(39)17(8-35)50-31)53-33-28(44)25(41)21(37)16(7-34)51-33/h3-6,16-18,21-23,25-35,37-45H,7-9H2,1-2H3",HLSFLOGWAMZXNK,UHFFFAOYSA,N,Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside],HLSFLOGWAMZXNK-UHFFFAOYSA-N
HMDB34570,582.15847029,C26H30O15,CC1=CC(=O)C2=C(O)C3=C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C=C(O)C=C3C=C2O1,"InChI=1S/C26H30O15/c1-8-2-11(29)17-12(38-8)4-9-3-10(28)5-13(16(9)20(17)32)39-26-24(36)22(34)19(31)15(41-26)7-37-25-23(35)21(33)18(30)14(6-27)40-25/h2-5,14-15,18-19,21-28,30-36H,6-7H2,1H3",CUEQARUDPRWNCW,UHFFFAOYSA,N,Norrubrofusarin 6-beta-gentiobioside,CUEQARUDPRWNCW-UHFFFAOYSA-N
HMDB34571,740.216379098,C33H40O19,CC1=CC2=C(C(=O)C3=C(C=CC=C3O)C2=O)C(OC2OC(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1,"InChI=1S/C33H40O19/c1-10-5-12-19(24(41)18-11(20(12)37)3-2-4-13(18)36)14(6-10)48-32-27(44)26(43)22(39)17(51-32)9-47-31-29(46)30(23(40)16(8-35)49-31)52-33-28(45)25(42)21(38)15(7-34)50-33/h2-6,15-17,21-23,25-36,38-40,42-46H,7-9H2,1H3",SOWISUOFXLRAML,UHFFFAOYSA,N,Chrysophanol 1-triglucoside,SOWISUOFXLRAML-UHFFFAOYSA-N
HMDB34572,902.269202528,C39H50O24,CC1=CC2=C(C(=O)C3=C(C=CC=C3O)C2=O)C(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1,"InChI=1S/C39H50O24/c1-11-5-13-21(27(48)20-12(22(13)43)3-2-4-14(20)42)15(6-11)58-38-32(53)29(50)24(45)18(61-38)10-57-37-34(55)35(26(47)17(8-41)60-37)63-39-33(54)30(51)25(46)19(62-39)9-56-36-31(52)28(49)23(44)16(7-40)59-36/h2-6,16-19,23-26,28-42,44-47,49-55H,7-10H2,1H3",CWGIPJXDFYVNHH,UHFFFAOYSA,N,Chrysophanol 1-tetraglucoside,CWGIPJXDFYVNHH-UHFFFAOYSA-N
HMDB34573,436.136946988,C21H24O10,OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OCCC2=CC=CC=C2)C1O,"InChI=1S/C21H24O10/c22-13-8-12(9-14(23)16(13)24)20(28)30-10-15-17(25)18(26)19(27)21(31-15)29-7-6-11-4-2-1-3-5-11/h1-5,8-9,15,17-19,21-27H,6-7,10H2",ZMYPTBCSUJAIQL,UHFFFAOYSA,N,Phenethyl 6-galloylglucoside,ZMYPTBCSUJAIQL-UHFFFAOYSA-N
HMDB34574,252.172544634,C15H24O3,CC1=CC2OC3(CO)CC(O)CC3(C)C2(C)CC1,"InChI=1S/C15H24O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,11-12,16-17H,4-5,7-9H2,1-3H3",LRGJZQCUGTZKGE,UHFFFAOYSA,N,Apotrichodiol,LRGJZQCUGTZKGE-UHFFFAOYSA-N
HMDB34575,398.194067936,C20H30O8,CC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1OC(=O)CC(C)(C)O,"InChI=1S/C20H30O8/c1-10-5-12-19(8-21,6-11(10)27-13(22)7-17(2,3)25)18(4)15(24)14(23)16(28-12)20(18)9-26-20/h5,11-12,14-16,21,23-25H,6-9H2,1-4H3",FVUXHXRZJMFQJL,UHFFFAOYSA,N,3'-Hydroxy-T2-triol,FVUXHXRZJMFQJL-UHFFFAOYSA-N
HMDB34576,324.1572885,C17H24O6,CC(=O)OC1C(O)C2(C)C3(CO3)C1OC1C=C(C)CCC21CO,"InChI=1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(22-10(2)19)13(20)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3",NFFRTZSZVQIMDJ,UHFFFAOYSA,N,"3-Acetoxyscirpene-4,15-diol",NFFRTZSZVQIMDJ-UHFFFAOYSA-N
HMDB34577,229.014185456,C9H8ClNO4,COC1=CC(Cl)=C2NC(=O)OC2=C1OC,"InChI=1S/C9H8ClNO4/c1-13-5-3-4(10)6-8(7(5)14-2)15-9(12)11-6/h3H,1-2H3,(H,11,12)",VTZLLYJSIAQXFJ,UHFFFAOYSA,N,"4-Chloro-6,7-dimethoxy-2-benzoxazolinone",VTZLLYJSIAQXFJ-UHFFFAOYSA-N
HMDB34578,478.381080844,C33H50O2,CCCCCCCCCCCCCCCCCC(=O)OCC1=C2C=C(C=CC(C)=C2C=C1)C(C)=C,"InChI=1S/C33H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(34)35-26-30-23-24-31-28(4)21-22-29(27(2)3)25-32(30)31/h21-25H,2,5-20,26H2,1,3-4H3",LIMRDFZTVWETFB,UHFFFAOYSA,N,Deterrol stearate,LIMRDFZTVWETFB-UHFFFAOYSA-N
HMDB34579,328.191268703,C20H26NO3,COC1=C(OC)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1,"InChI=1S/C20H25NO3/c1-21(2)12-11-15-7-10-18(23-3)20(24-4)19(15)17(21)13-14-5-8-16(22)9-6-14/h5-10,17H,11-13H2,1-4H3/p+1",QZJMBSSODVCTRD,UHFFFAOYSA,O,8-O-Methyloblongine,QZJMBSSODVCTRD-UHFFFAOYSA-O
HMDB34580,153.115364107,C9H15NO,CN1C2CCCC1CC(=O)C2,"InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3",RHWSKVCZXBAWLZ,UHFFFAOYSA,N,psi-Pelletierine,RHWSKVCZXBAWLZ-UHFFFAOYSA-N
HMDB34581,170.13067982,C10H18O2,CCC\C=C\COC(=O)CCC,"InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+",PCGACKLJNBBQGM,VOTSOKGWSA,N,2-Hexenyl butanoate,PCGACKLJNBBQGM-VOTSOKGWSA-N
HMDB34582,386.063782046,C19H14O9,OC(C(OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O,"InChI=1S/C19H14O9/c20-10-3-1-9(2-4-10)13-8-27-14-7-11(5-6-12(14)15(13)21)28-17(19(25)26)16(22)18(23)24/h1-8,16-17,20,22H,(H,23,24)(H,25,26)",BZUOOSAINABLAK,UHFFFAOYSA,N,Shoyuflavone A,BZUOOSAINABLAK-UHFFFAOYSA-N
HMDB34583,1163.332924995,C52H61NO29,COC1=CC(=CC=C1O)C1C2C(C3=CC(O)=C(OC4OC(COC(=O)CC5C(=O)NC6=C5C=CC=C6)C(O)C(O)C4O)C=C13)C(=O)OC1C(O)C(COC2=O)OC1(CO)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C52H61NO29/c1-72-25-8-17(6-7-23(25)56)32-20-10-26(76-50-43(67)40(64)36(60)28(78-50)13-73-31(58)11-21-18-4-2-3-5-22(18)53-46(21)69)24(57)9-19(20)33-34(32)47(70)74-15-30-38(62)45(80-48(33)71)52(16-55,81-30)82-51-44(68)41(65)37(61)29(79-51)14-75-49-42(66)39(63)35(59)27(12-54)77-49/h2-10,21,27-30,32-45,49-51,54-57,59-68H,11-16H2,1H3,(H,53,69)",MNYULFDIENZQKV,UHFFFAOYSA,N,Secaloside C,MNYULFDIENZQKV-UHFFFAOYSA-N
HMDB34584,448.209718,C24H32O8,C\C=C(\C)C(=O)OC(CC=C(C)C)C(=C)C1C(OC(C)=O)C2OC2(C)C(=O)C1OC(C)=O,"InChI=1S/C24H32O8/c1-9-13(4)23(28)31-17(11-10-12(2)3)14(5)18-19(29-15(6)25)21(27)24(8)22(32-24)20(18)30-16(7)26/h9-10,17-20,22H,5,11H2,1-4,6-8H3/b13-9-",ZCWNIRCWJUACBO,LCYFTJDESA,N,"(1S,3S,4S,5R,6x,8x)-1,5-Diacetoxy-8-angeloyloxy-3,4-epoxy-7(14),10-bisaboladien-2-one",ZCWNIRCWJUACBO-LCYFTJDESA-N
HMDB34585,552.126776232,C28H24O12,COC(=O)C(\OC1=C(O)C=C(\C=C\C(=O)OC(CC2=CC(O)=C(O)C=C2)C(O)=O)C=C1)=C\C1=CC(O)=C(O)C=C1,"InChI=1S/C28H24O12/c1-38-28(37)25(14-17-3-7-19(30)21(32)12-17)39-23-8-4-15(10-22(23)33)5-9-26(34)40-24(27(35)36)13-16-2-6-18(29)20(31)11-16/h2-12,14,24,29-33H,13H2,1H3,(H,35,36)/b9-5+,25-14-",JRSJLGASDWZQGF,ILWOKKNDSA,N,Schizotenuin F,JRSJLGASDWZQGF-ILWOKKNDSA-N
HMDB34586,294.219494826,C18H30O3,CCC(O)\C=C\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,9,11,13,15,17,19H,2,4,6-8,10,12,14,16H2,1H3,(H,20,21)/b5-3-,11-9-,15-13+",ILSZLGCGBGSHFR,CGLYFWTESA,N,"(9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid",ILSZLGCGBGSHFR-CGLYFWTESA-N
HMDB34587,99.068413915,C5H9NO,O=CN1CCCC1,"InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2",AGRIQBHIKABLPJ,UHFFFAOYSA,N,1-Pyrrolidinecarboxaldehyde,AGRIQBHIKABLPJ-UHFFFAOYSA-N
HMDB34588,410.15768243,C20H26O9,CCCCOC(=O)C1(O)CC(O)C(O)C(C1)OC(=O)\C=C/C1=CC(O)=C(O)C=C1,"InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5-",VNLREARKISTOAD,ALCCZGGFSA,N,Butyl 3-O-caffeoylquinate,VNLREARKISTOAD-ALCCZGGFSA-N
HMDB34589,402.058696668,C19H14O10,OC(C(OC1=CC(O)=C2C(OC=C(C2=O)C2=CC=C(O)C=C2)=C1)C(O)=O)C(O)=O,"InChI=1S/C19H14O10/c20-9-3-1-8(2-4-9)11-7-28-13-6-10(5-12(21)14(13)15(11)22)29-17(19(26)27)16(23)18(24)25/h1-7,16-17,20-21,23H,(H,24,25)(H,26,27)",YZECNQRIFYQRPI,UHFFFAOYSA,N,Shoyuflavone B,YZECNQRIFYQRPI-UHFFFAOYSA-N
HMDB34590,418.05361129,C19H14O11,OC(C(OC1=C(O)C2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O,"InChI=1S/C19H14O11/c20-8-3-1-7(2-4-8)9-6-29-16-12(13(9)22)10(21)5-11(14(16)23)30-17(19(27)28)15(24)18(25)26/h1-6,15,17,20-21,23-24H,(H,25,26)(H,27,28)",DGJSSBCAHRQASY,UHFFFAOYSA,N,Shoyuflavone C,DGJSSBCAHRQASY-UHFFFAOYSA-N
HMDB34591,297.136493479,C18H19NO3,CN1C(O)C(C(C(O)C1=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H19NO3/c1-19-17(21)15(13-10-6-3-7-11-13)14(16(20)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3",FTFQYXRXXIHIHC,UHFFFAOYSA,N,Lansamide 3,FTFQYXRXXIHIHC-UHFFFAOYSA-N
HMDB34592,311.152143543,C19H21NO3,COC1C(C(C(O)C(=O)N1C)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H21NO3/c1-20-18(22)17(21)15(13-9-5-3-6-10-13)16(19(20)23-2)14-11-7-4-8-12-14/h3-12,15-17,19,21H,1-2H3",HGOXSQCBJLZRJO,UHFFFAOYSA,N,Lansamide 4,HGOXSQCBJLZRJO-UHFFFAOYSA-N
HMDB34593,343.178358293,C20H25NO4,COC1=C(OC)C=C(CC2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1,"InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3",OKORHWXYDBSYNO,UHFFFAOYSA,N,(S)-Codamine,OKORHWXYDBSYNO-UHFFFAOYSA-N
HMDB34594,872.476950878,C44H72O17,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-35(52)33(50)32(49)28(15-45)57-40)36(53)37(29(16-46)58-41)59-39-34(51)31(48)26(47)18-54-39/h19-41,45-53H,5-18H2,1-4H3",KCJCMMKXYAIXFR,UHFFFAOYSA,N,Sarsasapogenin 3-O-[beta-D-Glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->4)]-beta-D-glucopyranoside],KCJCMMKXYAIXFR-UHFFFAOYSA-N
HMDB34595,772.424521378,C39H64O15,CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C39H64O15/c1-16-5-8-39(49-15-16)17(2)28-25(54-39)10-20-18-9-22(42)21-11-24(23(43)12-38(21,4)19(18)6-7-37(20,28)3)50-35-33(48)31(46)34(27(14-41)52-35)53-36-32(47)30(45)29(44)26(13-40)51-36/h16-36,40-48H,5-15H2,1-4H3",DQLBLHWGFPEMQR,UHFFFAOYSA,N,Aginoside progenin,DQLBLHWGFPEMQR-UHFFFAOYSA-N
HMDB34596,752.47107764,C41H68O12,CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C41H68O12/c1-20(2)10-9-11-21(3)29-26(51-37-34(49)32(47)31(46)27(18-42)52-37)17-41(8)35-24(43)16-23-22(39(35,6)14-15-40(29,41)7)12-13-28(38(23,4)5)53-36-33(48)30(45)25(44)19-50-36/h10,16,21-22,24-37,42-49H,9,11-15,17-19H2,1-8H3",MPXQWAXHGMPSTR,UHFFFAOYSA,N,Hebevinoside VI,MPXQWAXHGMPSTR-UHFFFAOYSA-N
HMDB34597,836.492207012,C45H72O14,CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O,"InChI=1S/C45H72O14/c1-22(2)12-11-13-23(3)33-30(57-41-37(53)35(51)38(56-25(5)47)31(58-41)21-54-24(4)46)19-45(10)39-28(48)18-27-26(43(39,8)16-17-44(33,45)9)14-15-32(42(27,6)7)59-40-36(52)34(50)29(49)20-55-40/h12,18,23,26,28-41,48-53H,11,13-17,19-21H2,1-10H3",HXQKCVLHJXCOGN,UHFFFAOYSA,N,Hebevinoside VII,HXQKCVLHJXCOGN-UHFFFAOYSA-N
HMDB34598,878.502771698,C47H74O15,CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(OC(C)=O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O,"InChI=1S/C47H74O15/c1-23(2)13-12-14-24(3)35-31(60-43-39(55)37(53)40(59-27(6)50)33(61-43)22-56-25(4)48)20-47(11)41-30(51)19-29-28(45(41,9)17-18-46(35,47)10)15-16-34(44(29,7)8)62-42-38(54)36(52)32(21-57-42)58-26(5)49/h13,19,24,28,30-43,51-55H,12,14-18,20-22H2,1-11H3",CASUNJDNTPMYBY,UHFFFAOYSA,N,Hebevinoside VIII,CASUNJDNTPMYBY-UHFFFAOYSA-N
HMDB34599,590.41825421,C35H58O7,CC(CCC=C(C)C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C,"InChI=1S/C35H58O7/c1-19(2)10-9-11-20(3)27-24(37)17-35(8)30-23(36)16-22-21(33(30,6)14-15-34(27,35)7)12-13-26(32(22,4)5)42-31-29(40)28(39)25(38)18-41-31/h10,16,20-21,23-31,36-40H,9,11-15,17-18H2,1-8H3",QQKQWCLXOKWADM,UHFFFAOYSA,N,Hebevinoside IX,QQKQWCLXOKWADM-UHFFFAOYSA-N
HMDB34600,766.486727704,C42H70O12,COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H70O12/c1-21(2)11-10-12-22(3)30-27(52-38-35(49)33(47)32(46)28(19-43)53-38)18-42(8)36-26(50-9)17-24-23(40(36,6)15-16-41(30,42)7)13-14-29(39(24,4)5)54-37-34(48)31(45)25(44)20-51-37/h11,17,22-23,25-38,43-49H,10,12-16,18-20H2,1-9H3",RVSNXISMZROFAY,UHFFFAOYSA,N,Hebevinoside X,RVSNXISMZROFAY-UHFFFAOYSA-N
HMDB34601,850.507857076,C46H74O14,COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O,"InChI=1S/C46H74O14/c1-23(2)13-12-14-24(3)34-31(58-42-38(53)36(51)39(57-26(5)48)32(59-42)22-55-25(4)47)20-46(10)40-30(54-11)19-28-27(44(40,8)17-18-45(34,46)9)15-16-33(43(28,6)7)60-41-37(52)35(50)29(49)21-56-41/h13,19,24,27,29-42,49-53H,12,14-18,20-22H2,1-11H3",BDIZCZITXGMZCF,UHFFFAOYSA,N,Hebevinoside XI,BDIZCZITXGMZCF-UHFFFAOYSA-N
HMDB34602,794.481642326,C43H70O13,CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(CO)C(OC(C)=O)C(O)C1O,"InChI=1S/C43H70O13/c1-21(2)11-10-12-22(3)31-28(54-39-35(51)33(49)36(53-23(4)45)29(19-44)55-39)18-43(9)37-26(46)17-25-24(41(37,7)15-16-42(31,43)8)13-14-30(40(25,5)6)56-38-34(50)32(48)27(47)20-52-38/h11,17,22,24,26-39,44,46-51H,10,12-16,18-20H2,1-9H3",TZFLXDBCBUACKU,UHFFFAOYSA,N,Hebevinoside XII,TZFLXDBCBUACKU-UHFFFAOYSA-N
HMDB34603,920.513336384,C49H76O16,CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(OC(C)=O)C(OC(C)=O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O,"InChI=1S/C49H76O16/c1-24(2)14-13-15-25(3)37-33(63-45-39(56)38(55)41(61-28(6)52)35(64-45)22-58-26(4)50)21-49(12)43-32(54)20-31-30(47(43,10)18-19-48(37,49)11)16-17-36(46(31,8)9)65-44-40(57)42(62-29(7)53)34(23-59-44)60-27(5)51/h14,20,25,30,32-45,54-57H,13,15-19,21-23H2,1-12H3",UXLRAUFZYMHXTO,UHFFFAOYSA,N,Hebevinoside XIII,UXLRAUFZYMHXTO-UHFFFAOYSA-N
HMDB34604,878.502771698,C47H74O15,CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(OC(C)=O)C(OC(C)=O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(O)C(O)C1O,"InChI=1S/C47H74O15/c1-23(2)13-12-14-24(3)35-31(60-43-38(54)37(53)36(52)32(61-43)21-56-25(4)48)20-47(11)41-30(51)19-29-28(45(41,9)17-18-46(35,47)10)15-16-34(44(29,7)8)62-42-39(55)40(59-27(6)50)33(22-57-42)58-26(5)49/h13,19,24,28,30-43,51-55H,12,14-18,20-22H2,1-11H3",HZVGDAABVDIGIT,UHFFFAOYSA,N,Hebevinoside XIV,HZVGDAABVDIGIT-UHFFFAOYSA-N
HMDB34605,346.178023942,C20H26O5,C\C=C(/C)C(=O)OC1CC(C)(O)C2CC=C(C)C2C2OC(=O)C(=C)C12,"InChI=1S/C20H26O5/c1-6-10(2)18(21)24-14-9-20(5,23)13-8-7-11(3)15(13)17-16(14)12(4)19(22)25-17/h6-7,13-17,23H,4,8-9H2,1-3,5H3/b10-6+",CSBHDWDGNXOEPU,UXBLZVDNSA,N,Annuolide G,CSBHDWDGNXOEPU-UXBLZVDNSA-N
HMDB34606,158.13067982,C9H18O2,CCCCCCOC(=O)CC,"InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3",GOKKOFHHJFGZHW,UHFFFAOYSA,N,Hexyl propionate,GOKKOFHHJFGZHW-UHFFFAOYSA-N
HMDB34607,418.199153314,C23H30O7,[H][C@@]12CC(C)(C)C[C@]1([H])[C@@]1(C)C[C@@H](OC(=O)C3=C(O)C(O)=C(O)C=C3C)C1=C(CO)[C@H]2O,"InChI=1S/C23H30O7/c1-10-5-14(25)19(27)20(28)16(10)21(29)30-15-8-23(4)13-7-22(2,3)6-11(13)18(26)12(9-24)17(15)23/h5,11,13,15,18,24-28H,6-9H2,1-4H3/t11-,13+,15-,18+,23-/m1/s1",PTVABGVMGJFKGM,GHEGTYFOSA,N,Judeol,PTVABGVMGJFKGM-GHEGTYFOSA-N
HMDB34608,464.168247116,C23H28O10,COC(=O)C1=C\CCC2(C)OC2C2OC(=O)C(=C)C2C(OC(=O)C2(C)OC2C)C\1OC(C)=O,"InChI=1S/C23H28O10/c1-10-14-16(31-21(27)23(5)11(2)32-23)15(29-12(3)24)13(20(26)28-6)8-7-9-22(4)18(33-22)17(14)30-19(10)25/h8,11,14-18H,1,7,9H2,2-6H3/b13-8-",VCBNPTWPJQLHQN,JYRVWZFOSA,N,PSF-A,VCBNPTWPJQLHQN-JYRVWZFOSA-N
HMDB34609,596.174120354,C27H32O15,COC1=CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C2C(C=C(O)C3=C2OC(C)=CC3=O)=C1,"InChI=1S/C27H32O15/c1-9-3-12(29)18-13(30)5-10-4-11(37-2)6-14(17(10)25(18)39-9)40-27-24(36)22(34)20(32)16(42-27)8-38-26-23(35)21(33)19(31)15(7-28)41-26/h3-6,15-16,19-24,26-28,30-36H,7-8H2,1-2H3",CREWSFDYWMXJQL,UHFFFAOYSA,N,Isorubrofusarin 10-gentiobioside,CREWSFDYWMXJQL-UHFFFAOYSA-N
HMDB34610,663.428759317,C44H57NO4,CC1(COC(=O)C2=CC=CC=C2)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4=CCC3(C)C2C1)OC(=O)C1=CC=C(N)C=C1,"InChI=1S/C44H57NO4/c1-39(2)34-18-17-33-32(42(34,5)21-20-36(39)49-38(47)30-13-15-31(45)16-14-30)19-22-44(7)35-27-40(3,23-24-41(35,4)25-26-43(33,44)6)28-48-37(46)29-11-9-8-10-12-29/h8-17,19,34-36H,18,20-28,45H2,1-7H3",VKNUHXUEPNYSDN,UHFFFAOYSA,N,Zucchini factor B,VKNUHXUEPNYSDN-UHFFFAOYSA-N
HMDB34611,570.194855796,C26H34O14,CC1OC(OCC2OC(OC3=C4OC(=O)C=CC4=CC4=C3OC(C4)C(C)(C)O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C26H34O14/c1-9-15(28)17(30)19(32)24(36-9)35-8-12-16(29)18(31)20(33)25(37-12)40-23-21-10(4-5-14(27)39-21)6-11-7-13(26(2,3)34)38-22(11)23/h4-6,9,12-13,15-20,24-25,28-34H,7-8H2,1-3H3",BXZHQIFYFLLPME,UHFFFAOYSA,N,Rutaretin 9-rutinoside,BXZHQIFYFLLPME-UHFFFAOYSA-N
HMDB34612,540.18429111,C25H32O13,COC1=CC(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1,"InChI=1S/C25H32O13/c1-10-4-12-5-13(34-3)6-14(17(12)19(30)16(10)11(2)28)36-23-21(20(31)18(29)15(7-26)37-23)38-24-22(32)25(33,8-27)9-35-24/h4-6,15,18,20-24,26-27,29-33H,7-9H2,1-3H3",BABLZVVVBXCYEN,UHFFFAOYSA,N,Torachrysone 8-(2-apiosylglucoside),BABLZVVVBXCYEN-UHFFFAOYSA-N
HMDB34613,570.194855796,C26H34O14,COC1=CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1,"InChI=1S/C26H34O14/c1-9-4-11-5-12(36-3)6-13(17(11)20(31)16(9)10(2)28)38-26-24(35)22(33)19(30)15(40-26)8-37-25-23(34)21(32)18(29)14(7-27)39-25/h4-6,14-15,18-19,21-27,29-35H,7-8H2,1-3H3",XCIHPNCERQKEMU,UHFFFAOYSA,N,Torachrysone 8-beta-gentiobioside,XCIHPNCERQKEMU-UHFFFAOYSA-N
HMDB34614,894.300502656,C38H54O24,COC1=CC(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1,"InChI=1S/C38H54O24/c1-11-4-13-5-14(54-3)6-15(21(13)26(46)20(11)12(2)41)57-37-31(51)28(48)23(43)18(60-37)10-56-36-33(53)34(25(45)17(8-40)59-36)62-38-32(52)29(49)24(44)19(61-38)9-55-35-30(50)27(47)22(42)16(7-39)58-35/h4-6,16-19,22-25,27-40,42-53H,7-10H2,1-3H3",VCHBPQZDLAWBAE,UHFFFAOYSA,N,6-Methoxymusizin 8-O-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranosyl-(1->3)-b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside],VCHBPQZDLAWBAE-UHFFFAOYSA-N
HMDB34615,164.083729628,C10H12O2,COC1=CC=C(C=C1)C1OC1C,"InChI=1S/C10H12O2/c1-7-10(12-7)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3",YUWWNQUBHDXKMT,UHFFFAOYSA,N,Epoxyanethole,YUWWNQUBHDXKMT-UHFFFAOYSA-N
HMDB34616,239.85338799,C3H2Br2N2O,NC(=O)C(Br)(Br)C#N,"InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)",UUIVKBHZENILKB,UHFFFAOYSA,N,"2,2-Dibromo-2-cyanoacetamide",UUIVKBHZENILKB-UHFFFAOYSA-N
HMDB34617,494.28796832,C27H42O8,CCOC1CC2C34OC3(CCC4(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=O)C(C)C,"InChI=1S/C27H42O8/c1-6-32-18-12-19-25(5,9-7-24(4)8-10-26(15(2)3)27(19,24)35-26)20(11-16(18)13-28)34-23-22(31)21(30)17(29)14-33-23/h11,13,15,17-23,29-31H,6-10,12,14H2,1-5H3",BYPNJSRSMGYEOF,UHFFFAOYSA,N,"(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside",BYPNJSRSMGYEOF-UHFFFAOYSA-N
HMDB34618,284.089602866,C13H16O7,OCC1OC(O)C(OC(=O)C2=CC=CC=C2)C(O)C1O,"InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(13(18)19-8)20-12(17)7-4-2-1-3-5-7/h1-5,8-11,13-16,18H,6H2",RIDPBVGJGNVNFX,UHFFFAOYSA,N,2-O-Benzoyl-D-glucose,RIDPBVGJGNVNFX-UHFFFAOYSA-N
HMDB34619,962.545030442,C48H82O19,C\C(CO)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C48H82O19/c1-22(18-49)9-8-13-48(7,67-42-39(61)36(58)33(55)26(20-51)63-42)23-10-15-47(6)31(23)24(53)17-29-45(4)14-12-30(44(2,3)28(45)11-16-46(29,47)5)65-43-40(37(59)34(56)27(21-52)64-43)66-41-38(60)35(57)32(54)25(19-50)62-41/h9,23-43,49-61H,8,10-21H2,1-7H3/b22-9+",FYLCRNXWEIOTFS,LSFURLLWSA,N,Vinaginsenoside R24,FYLCRNXWEIOTFS-LSFURLLWSA-N
HMDB34620,296.05321736,C13H12O8,OC(C(OC(=O)\C=C/C1=CC=C(O)C=C1)C(O)=O)C(O)=O,"InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3-",INYJZRKTYXTZHP,UTCJRWHESA,N,cis-Coutaric acid,INYJZRKTYXTZHP-UTCJRWHESA-N
HMDB34621,338.063782046,C15H14O9,CC(=O)OC(C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O)C(O)=O,"InChI=1S/C15H14O9/c1-8(16)23-12(14(19)20)13(15(21)22)24-11(18)7-4-9-2-5-10(17)6-3-9/h2-7,12-13,17H,1H3,(H,19,20)(H,21,22)/b7-4+",AILCSCQIQZTQJR,QPJJXVBHSA,N,2-O-Acetyl-trans-coutaric acid,AILCSCQIQZTQJR-QPJJXVBHSA-N
HMDB34622,638.475769088,C37H66O8,CCCCCCC(O)CCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O8/c1-3-4-5-10-16-30(39)19-14-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-13-12-18-29(38)17-11-8-6-7-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3",AFKUAQRKQMVATG,UHFFFAOYSA,N,Rollimusin,AFKUAQRKQMVATG-UHFFFAOYSA-N
HMDB34623,697.549268381,C40H75NO8,CCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CCCCCCCCC,"InChI=1S/C40H75NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,33-35,37-40,42-43,45-47H,3-18,20,22-26,28,30-32H2,1-2H3,(H,41,44)/b21-19+,29-27+",VCLOTRNDBUPTQD,ZNPGVSGMSA,N,"N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 1-glucoside",VCLOTRNDBUPTQD-ZNPGVSGMSA-N
HMDB34624,842.502771698,C44H74O15,CC1OC(OC2C(O)C(O)C(COC(C)=O)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C3(C)CCC(O3)C(C)(C)O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O,"InChI=1S/C44H74O15/c1-20-30(48)32(50)34(52)37(55-20)58-35-33(51)31(49)25(19-54-21(2)45)57-38(35)56-24-18-43(9)26(41(7)14-12-27(47)39(3,4)36(24)41)17-23(46)29-22(11-15-42(29,43)8)44(10)16-13-28(59-44)40(5,6)53/h20,22-38,46-53H,11-19H2,1-10H3",VTZDPCBUMTUOMY,UHFFFAOYSA,N,Vinaginsenoside R1,VTZDPCBUMTUOMY-UHFFFAOYSA-N
HMDB34625,828.487121634,C43H72O15,CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC34C)C3(C)CCC(O3)C(C)(C)O)C3(C)CCC(O)C(C)(C)C23)C(OC2OCC(O)C(O)C2O)C(O)C1O,"InChI=1S/C43H72O15/c1-20(44)53-19-25-31(49)32(50)34(57-36-33(51)30(48)23(46)18-54-36)37(56-25)55-24-17-42(8)26(40(6)13-11-27(47)38(2,3)35(24)40)16-22(45)29-21(10-14-41(29,42)7)43(9)15-12-28(58-43)39(4,5)52/h21-37,45-52H,10-19H2,1-9H3",URPKGNJHPFKECW,UHFFFAOYSA,N,Vinaginsenoside R2,URPKGNJHPFKECW-UHFFFAOYSA-N
HMDB34626,360.142032366,C16H24O9,COC1=C(OC)C=C(C=C1)C(CO)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H24O9/c1-22-9-4-3-8(5-10(9)23-2)11(6-17)24-16-15(21)14(20)13(19)12(7-18)25-16/h3-5,11-21H,6-7H2,1-2H3",SXOCFAICCRYBCD,UHFFFAOYSA,N,"1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside",SXOCFAICCRYBCD-UHFFFAOYSA-N
HMDB34627,360.142032366,C16H24O9,COC1=C(OC)C=C(C=C1)C(O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H24O9/c1-22-10-4-3-8(5-11(10)23-2)9(18)7-24-16-15(21)14(20)13(19)12(6-17)25-16/h3-5,9,12-21H,6-7H2,1-2H3",PWFYKSAKCMTDRH,UHFFFAOYSA,N,"1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside",PWFYKSAKCMTDRH-UHFFFAOYSA-N
HMDB34628,638.475769088,C37H66O8,CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCCCC2CC(CC(C)=O)C(=O)O2)O1,"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-29(43-34)16-13-10-9-11-14-17-30-26-28(25-27(2)38)37(42)44-30/h28-36,39-41H,3-26H2,1-2H3",WAZNHZWSJGMXPS,UHFFFAOYSA,N,"20,23-cis-Bullatalicinone",WAZNHZWSJGMXPS-UHFFFAOYSA-N
HMDB34629,386.136553058,C21H22O7,COC(=O)\C=C/C1=CC2=C(OC(C2CO)C2=CC(OC)=C(O)C=C2)C(OC)=C1,"InChI=1S/C21H22O7/c1-25-17-10-13(5-6-16(17)23)20-15(11-22)14-8-12(4-7-19(24)27-3)9-18(26-2)21(14)28-20/h4-10,15,20,22-23H,11H2,1-3H3/b7-4-",DPDJZJNYBSGDHT,DAXSKMNVSA,N,"(7'R*,8'S*)-Methyl 4,7'-epoxy-3,8'-bilign-7-ene-4',9'-dihydroxy-3',5-dimethoxy-9-oate",DPDJZJNYBSGDHT-DAXSKMNVSA-N
HMDB34630,316.203844762,C20H28O3,C\C=C1\C2C(CC1=O)C(=C)C(CC2C(C)C)OC(=O)C=C(C)C,"InChI=1S/C20H28O3/c1-7-14-17(21)9-16-13(6)18(23-19(22)8-11(2)3)10-15(12(4)5)20(14)16/h7-8,12,15-16,18,20H,6,9-10H2,1-5H3/b14-7+",MZPCWAQWDXGSCO,VGOFMYFVSA,N,"(4Z,9a)-9-(3-Methyl-2-butenoyloxy)-4,10(14)-oplopadien-3-one",MZPCWAQWDXGSCO-VGOFMYFVSA-N
HMDB34631,316.203844762,C20H28O3,C\C=C(\C)C(=O)OC1CC(C(C)C)C2C(CC(=O)\C2=C/C)C1=C,"InChI=1S/C20H28O3/c1-7-12(5)20(22)23-18-10-15(11(3)4)19-14(8-2)17(21)9-16(19)13(18)6/h7-8,11,15-16,18-19H,6,9-10H2,1-5H3/b12-7-,14-8+",PGPPNCWYWQGYAU,FHGRNIPQSA,N,"(4Z,9a)-9-Angeloyloxy-4,10(14)-oplopadien-3-one",PGPPNCWYWQGYAU-FHGRNIPQSA-N
HMDB34632,330.219494826,C21H30O3,CC\C(C)=C\C(=O)OC1CC(C(C)C)C2C(CC(=O)\C2=C\C)C1=C,"InChI=1S/C21H30O3/c1-7-13(5)9-20(23)24-19-11-16(12(3)4)21-15(8-2)18(22)10-17(21)14(19)6/h8-9,12,16-17,19,21H,6-7,10-11H2,1-5H3/b13-9+,15-8-",ORVROQPLYIDWBD,VERMXVBFSA,N,"(4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one",ORVROQPLYIDWBD-VERMXVBFSA-N
HMDB34633,232.050236611,C10H13ClO4,COC1=C(O)C=CC(=C1)C(O)C(O)CCl,"InChI=1S/C10H13ClO4/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,10,12-14H,5H2,1H3",YGHRQWKTVXMGDU,UHFFFAOYSA,N,"3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol",YGHRQWKTVXMGDU-UHFFFAOYSA-N
HMDB34634,646.226155924,C32H38O14,CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C(CC=C(C)C)=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C32H38O14/c1-13(2)4-5-15-8-16(6-7-18(15)33)21-11-20(35)24-19(34)9-17(10-22(24)45-21)44-32-30(41)28(39)26(37)23(46-32)12-42-31-29(40)27(38)25(36)14(3)43-31/h4,6-11,14,23,25-34,36-41H,5,12H2,1-3H3",UJHRVKJFXAWWKH,UHFFFAOYSA,N,3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],UJHRVKJFXAWWKH-UHFFFAOYSA-N
HMDB34635,650.36661257,C35H54O11,CC1(CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O)C(O)=O,"InChI=1S/C35H54O11/c1-30(28(41)42)10-12-35(29(43)44)13-11-33(4)18(19(35)14-30)6-7-23-31(2)15-20(37)26(46-27-25(40)24(39)21(38)16-45-27)32(3,17-36)22(31)8-9-34(23,33)5/h6,19-27,36-40H,7-17H2,1-5H3,(H,41,42)(H,43,44)",UERRXLUEVHKNBY,UHFFFAOYSA,N,Esculentoside E,UERRXLUEVHKNBY-UHFFFAOYSA-N
HMDB34636,664.382262634,C36H56O11,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)",SFZVDNKTWPZIJG,UHFFFAOYSA,N,Phytolaccasaponin G,SFZVDNKTWPZIJG-UHFFFAOYSA-N
HMDB34637,826.435086064,C42H66O16,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)",ZMXKPCHQLHYTHY,UHFFFAOYSA,N,Phytolaccoside E,ZMXKPCHQLHYTHY-UHFFFAOYSA-N
HMDB34638,988.487909494,C48H76O21,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H76O21/c1-43(41(61)63-6)11-13-48(42(62)69-40-36(60)33(57)30(54)25(18-50)66-40)14-12-46(4)21(22(48)15-43)7-8-28-44(2)16-23(52)37(45(3,20-51)27(44)9-10-47(28,46)5)68-38-34(58)31(55)26(19-64-38)67-39-35(59)32(56)29(53)24(17-49)65-39/h7,22-40,49-60H,8-20H2,1-6H3",UQCUBQIHIKJPHI,UHFFFAOYSA,N,Phytolaccasaponin B,UQCUBQIHIKJPHI-UHFFFAOYSA-N
HMDB34639,502.329439204,C30H46O6,CC1(CO)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CCC3(CCC12C)C(O)=O)C(O)=O,"InChI=1S/C30H46O6/c1-25(23(33)34)12-14-30(24(35)36)15-13-28(4)18(19(30)16-25)6-7-21-26(2)10-9-22(32)27(3,17-31)20(26)8-11-29(21,28)5/h6,19-22,31-32H,7-17H2,1-5H3,(H,33,34)(H,35,36)",CLXOLTFMHAXJST,UHFFFAOYSA,N,Esculentic acid (Phytolacca),CLXOLTFMHAXJST-UHFFFAOYSA-N
HMDB34640,516.345089268,C31H48O6,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C31H48O6/c1-26(25(36)37-6)13-15-31(24(34)35)16-14-29(4)19(20(31)17-26)7-8-22-27(2)11-10-23(33)28(3,18-32)21(27)9-12-30(22,29)5/h7,20-23,32-33H,8-18H2,1-6H3,(H,34,35)",YAGYBNOEVSEGSL,UHFFFAOYSA,N,Phytolaccinic acid,YAGYBNOEVSEGSL-UHFFFAOYSA-N
HMDB34641,810.440171442,C42H66O15,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)57-33-31(48)29(46)24(19-54-33)56-34-32(49)30(47)28(45)23(18-43)55-34/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)",NMDFCFOQBAHNPV,UHFFFAOYSA,N,Phytolaccoside D,NMDFCFOQBAHNPV-UHFFFAOYSA-N
HMDB34642,648.387348012,C36H56O10,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C36H56O10/c1-31(30(43)44-6)13-15-36(29(41)42)16-14-34(4)20(21(36)17-31)7-8-24-32(2)11-10-25(46-28-27(40)26(39)22(38)18-45-28)33(3,19-37)23(32)9-12-35(24,34)5/h7,21-28,37-40H,8-19H2,1-6H3,(H,41,42)",NSIBODJHRJTEFG,UHFFFAOYSA,N,Phytolaccoside A,NSIBODJHRJTEFG-UHFFFAOYSA-N
HMDB34643,458.375995466,C30H50O3,CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1,"InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3",YHGVYECWZWIVJC,UHFFFAOYSA,N,Longispinogenin,YHGVYECWZWIVJC-UHFFFAOYSA-N
HMDB34644,474.370910088,C30H50O4,CC1(C)CC2C3(COC22CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3O)C(O)C1,"InChI=1S/C30H50O4/c1-24(2)14-20-29(22(32)15-24)17-34-30(20)13-9-19-26(5)11-10-21(31)25(3,4)18(26)8-12-27(19,6)28(30,7)16-23(29)33/h18-23,31-33H,8-17H2,1-7H3",ZAWNYVMZQOGILA,UHFFFAOYSA,N,Priverogenin B,ZAWNYVMZQOGILA-UHFFFAOYSA-N
HMDB34645,516.381474774,C32H52O5,CC(=O)OC1CC(C)(C)CC2C11COC22CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1O,"InChI=1S/C32H52O5/c1-19(33)37-25-17-26(2,3)15-22-31(25)18-36-32(22)14-10-21-28(6)12-11-23(34)27(4,5)20(28)9-13-29(21,7)30(32,8)16-24(31)35/h20-25,34-35H,9-18H2,1-8H3",ASSAYFMXRNLTCY,UHFFFAOYSA,N,22-Acetylpriverogenin B,ASSAYFMXRNLTCY-UHFFFAOYSA-N
HMDB34646,512.350174646,C32H48O5,CC(=O)OC1CCC2(C)C(CCC3(C)C2CC(=O)C24OC(=O)C5(CCC(C)(C)CC25)CCC34C)C1(C)C,"InChI=1S/C32H48O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-22,24H,9-18H2,1-8H3",CWTOUABHZIFLIH,UHFFFAOYSA,N,"3beta-Acetoxy-12-oxo-28,13beta-oleananolide",CWTOUABHZIFLIH-UHFFFAOYSA-N
HMDB34647,514.36582471,C32H50O5,CC(=O)OC1CCC2(C)C(CCC3(C)C2CC(O)C24OC(=O)C5(CCC(C)(C)CC25)CCC34C)C1(C)C,"InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3",SFSFDBPTPLSWRM,UHFFFAOYSA,N,Oleanderolide 3-acetate,SFSFDBPTPLSWRM-UHFFFAOYSA-N
HMDB34648,458.375995466,C30H50O3,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1,"InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3",YOQAQNKGFOLRGT,UHFFFAOYSA,N,Soyasapogenol B,YOQAQNKGFOLRGT-UHFFFAOYSA-N
HMDB34649,942.518815692,C48H78O18,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)",PTDAHAWQAGSZDD,UHFFFAOYSA,N,Soyasaponin I,PTDAHAWQAGSZDD-UHFFFAOYSA-N
HMDB34650,912.508251006,C47H76O17,CC1OC(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)",IBZLICPLPYSFNZ,UHFFFAOYSA,N,Soyasaponin II,IBZLICPLPYSFNZ-UHFFFAOYSA-N
HMDB34651,796.460906884,C42H68O14,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1,"InChI=1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)",OKIHRVKXRCAJFQ,UHFFFAOYSA,N,Soyasaponin III,OKIHRVKXRCAJFQ-UHFFFAOYSA-N
HMDB34652,456.360345402,C30H48O3,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(=O)C1,"InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3",FNRBOAGVUNHDIL,UHFFFAOYSA,N,Soyasapogenol E,FNRBOAGVUNHDIL-UHFFFAOYSA-N
HMDB34653,516.345089268,C31H48O6,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C31H48O6/c1-26(2)21-10-11-30(6)22(28(21,4)17-20(32)23(26)33)9-8-18-19-16-27(3,25(36)37-7)12-14-31(19,24(34)35)15-13-29(18,30)5/h8,19-23,32-33H,9-17H2,1-7H3,(H,34,35)",XINANDRKNJRDBH,UHFFFAOYSA,N,Pokeberrygenin,XINANDRKNJRDBH-UHFFFAOYSA-N
HMDB34654,456.360345402,C30H48O3,[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,26+,27+,28-,29+,30+/m0/s1",JZFSMVXQUWRSIW,MCLQAGPZSA,N,Katonic acid,JZFSMVXQUWRSIW-MCLQAGPZSA-N
HMDB34655,456.360345402,C30H48O3,[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27+,28-,29+,30+/m0/s1",JZFSMVXQUWRSIW,FWXFQHTDSA,N,3-Epikatonic acid,JZFSMVXQUWRSIW-FWXFQHTDSA-N
HMDB34656,458.375995466,C30H50O3,CC1C(O)CC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C,"InChI=1S/C30H50O3/c1-17-18(2)25-19-9-10-22-27(5)13-12-23(32)26(3,4)21(27)11-14-29(22,7)30(19,8)16-24(33)28(25,6)15-20(17)31/h9,17-18,20-25,31-33H,10-16H2,1-8H3",ILMQWRCMVKIVFV,UHFFFAOYSA,N,"(3xi,16xi,21xi)-12-Ursene-3,16,21-triol",ILMQWRCMVKIVFV-UHFFFAOYSA-N
HMDB34658,292.167459256,C17H24O4,CC1CCCC2C(OC(C)=O)C3(CC12C)C(=C)COC3=O,"InChI=1S/C17H24O4/c1-10-6-5-7-13-14(21-12(3)18)17(9-16(10,13)4)11(2)8-20-15(17)19/h10,13-14H,2,5-9H2,1,3-4H3",ZZZDGYZKGIPSPD,UHFFFAOYSA,N,9-Acetoxyfukinanolide,ZZZDGYZKGIPSPD-UHFFFAOYSA-N
HMDB34659,430.23553882,C25H34O6,C\C=C(/C)C(=O)OC1C2C(CCC(C)C2(C)CC11C(=C)COC1=O)OC(=O)C(\C)=C\C,"InChI=1S/C25H34O6/c1-8-14(3)21(26)30-18-11-10-16(5)24(7)13-25(17(6)12-29-23(25)28)20(19(18)24)31-22(27)15(4)9-2/h8-9,16,18-20H,6,10-13H2,1-5,7H3/b14-8+,15-9+",SRBBDMVRDLLMJD,VOMDNODZSA,N,Homofukinolide,SRBBDMVRDLLMJD-VOMDNODZSA-N
HMDB34660,504.214803378,C30H32O7,CC(C)=CCC1=C(OC2=C(C(O)=C3C=CC(C)(C)OC3=C2CC=C(C)C)C1=O)C1=CC(O)=C(O)C=C1O,"InChI=1S/C30H32O7/c1-15(2)7-9-17-25(34)24-26(35)18-11-12-30(5,6)37-28(18)19(10-8-16(3)4)29(24)36-27(17)20-13-22(32)23(33)14-21(20)31/h7-8,11-14,31-33,35H,9-10H2,1-6H3",CBYLXVCMCVXUQQ,UHFFFAOYSA,N,Heterophyllin,CBYLXVCMCVXUQQ-UHFFFAOYSA-N
HMDB34661,220.18271539,C15H24O,CC1CCC(\C=C(/C)CO)C2=C(C)CCC12,"InChI=1S/C15H24O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8,11,13-14,16H,4-7,9H2,1-3H3/b10-8+",KIQXKOUFPHTUQS,CSKARUKUSA,N,alpha-Valerenol,KIQXKOUFPHTUQS-CSKARUKUSA-N
HMDB34662,392.219888756,C22H32O6,CCC(C)C(=O)OC1CCC(C)C2(C)CC3(C(OC(C)=O)C12)C(=C)COC3=O,"InChI=1S/C22H32O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h12-13,16-18H,4,7-11H2,1-3,5-6H3",RLFYIIYBXGSPOM,UHFFFAOYSA,N,Dihydrofukinolide,RLFYIIYBXGSPOM-UHFFFAOYSA-N
HMDB34663,202.062994186,C12H10O3,CC1=C(C)C(=O)C2=C(C=CC=C2O)C1=O,"InChI=1S/C12H10O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3",WBPHCLSNRLPSPK,UHFFFAOYSA,N,"5-Hydroxy-2,3-dimethyl-1,4-naphthoquinone",WBPHCLSNRLPSPK-UHFFFAOYSA-N
HMDB34664,442.381080844,C30H50O2,CC1(C)CC[C@]2(C)[C@H](O)C[C@]3(C)C(CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)=C2C1,"InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h21-24,31-32H,9-18H2,1-8H3/t21?,22?,23-,24-,27+,28+,29-,30-/m1/s1",RTLXJEJRLWILSU,UXDAAGEOSA,N,Coflodiol,RTLXJEJRLWILSU-UXDAAGEOSA-N
HMDB34665,502.199153314,C30H30O7,CC(C)=CCC1=C2OC(C)(C)C=CC2=C(O)C2=C1OC1=C(CC3C4=C1C(O)=CC(O)=C4OC3(C)C)C2=O,"InChI=1S/C30H30O7/c1-13(2)7-8-15-25-14(9-10-29(3,4)36-25)23(33)22-24(34)16-11-17-20-21(27(16)35-26(15)22)18(31)12-19(32)28(20)37-30(17,5)6/h7,9-10,12,17,31-33H,8,11H2,1-6H3",CYONWSIQFYQFOS,UHFFFAOYSA,N,Artonin A,CYONWSIQFYQFOS-UHFFFAOYSA-N
HMDB34666,133.052763851,C8H7NO,OC(C#N)C1=CC=CC=C1,"InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H",NNICRUQPODTGRU,UHFFFAOYSA,N,(±)-2-Hydroxy-2-phenylacetonitrile,NNICRUQPODTGRU-UHFFFAOYSA-N
HMDB34667,502.199153314,C30H30O7,CC(C)=CCC1=C2OC(C)(C)C=CC2=C(O)C2=C1OC1=C(CC(C(C)=C)C3=C1C(O)=CC(O)=C3O)C2=O,"InChI=1S/C30H30O7/c1-13(2)7-8-16-27-15(9-10-30(5,6)37-27)24(33)23-25(34)18-11-17(14(3)4)21-22(29(18)36-28(16)23)19(31)12-20(32)26(21)35/h7,9-10,12,17,31-33,35H,3,8,11H2,1-2,4-6H3",IGNKZOMBJGAKHN,UHFFFAOYSA,N,Artonin B,IGNKZOMBJGAKHN-UHFFFAOYSA-N
HMDB34668,816.487121634,C42H72O15,CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H72O15/c1-37(2,53)12-9-13-42(8,57-36-33(52)31(50)29(48)24(19-44)56-36)20-10-15-40(6)27(20)21(45)16-25-39(5)14-11-26(46)38(3,4)34(39)22(17-41(25,40)7)54-35-32(51)30(49)28(47)23(18-43)55-35/h9,12,20-36,43-53H,10-11,13-19H2,1-8H3/b12-9+",HMCPMOZTKYWJSJ,FMIVXFBMSA,N,"(3b,6a,12b,20S,23E)-Dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside",HMCPMOZTKYWJSJ-FMIVXFBMSA-N
HMDB34669,283.120843415,C17H17NO3,COC1=C(O)C=C2CCNC3C(O)C4=CC=CC=C4C1=C23,"InChI=1S/C17H17NO3/c1-21-17-12(19)8-9-6-7-18-15-13(9)14(17)10-4-2-3-5-11(10)16(15)20/h2-5,8,15-16,18-20H,6-7H2,1H3",QDXOCDFPAQQYKD,UHFFFAOYSA,N,Anaxagoreine,QDXOCDFPAQQYKD-UHFFFAOYSA-N
HMDB34670,168.115029756,C10H16O2,CC(C)=CC(=O)CC(C)(O)C=C,"InChI=1S/C10H16O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5-6,12H,1,7H2,2-4H3",ILDAKDTXKZPGJC,UHFFFAOYSA,N,"6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one",ILDAKDTXKZPGJC-UHFFFAOYSA-N
HMDB34671,192.151415262,C13H20O,C\C=C/CC1=C(C)C(=O)CCC1(C)C,"InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3/b6-5-",CVDHBGKYPTUEAA,WAYWQWQTSA,N,"(E)-5,8-Megastigmadien-4-one",CVDHBGKYPTUEAA-WAYWQWQTSA-N
HMDB34672,208.146329884,C13H20O2,CC1OC2(C)C=CCC(C)(C)C2=CC1O,"InChI=1S/C13H20O2/c1-9-10(14)8-11-12(2,3)6-5-7-13(11,4)15-9/h5,7-10,14H,6H2,1-4H3",ULAJGYNCWKGREU,UHFFFAOYSA,N,"(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol",ULAJGYNCWKGREU-UHFFFAOYSA-N
HMDB34673,238.193280076,C15H26O2,CC(C)C1CCC(C)(O)C2CCC(=C)CC12O,"InChI=1S/C15H26O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h10,12-13,16-17H,3,5-9H2,1-2,4H3",AHNGXHRYFGQWSL,UHFFFAOYSA,N,Calamendiol,AHNGXHRYFGQWSL-UHFFFAOYSA-N
HMDB34674,385.100895833,C16H19NO10,OCC1OC(OC2=CC3=C(NC(=O)C3(O)CC(O)=O)C=C2)C(O)C(O)C1O,"InChI=1S/C16H19NO10/c18-5-9-11(21)12(22)13(23)14(27-9)26-6-1-2-8-7(3-6)16(25,4-10(19)20)15(24)17-8/h1-3,9,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20)",KZKDOIBDOJKQAC,UHFFFAOYSA,N,"(S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-glucoside",KZKDOIBDOJKQAC-UHFFFAOYSA-N
HMDB34675,547.153719263,C22H29NO15,OCC1OC(OC2C(O)C(O)C(OC3=CC4=C(NC(=O)C4(O)CC(O)=O)C=C3)OC2CO)C(O)C(O)C1O,"InChI=1S/C22H29NO15/c24-5-10-13(28)14(29)16(31)20(36-10)38-18-11(6-25)37-19(17(32)15(18)30)35-7-1-2-9-8(3-7)22(34,4-12(26)27)21(33)23-9/h1-3,10-11,13-20,24-25,28-32,34H,4-6H2,(H,23,33)(H,26,27)",ADONHDUDLSXBIZ,UHFFFAOYSA,N,"(S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-b-D-glucoside]",ADONHDUDLSXBIZ-UHFFFAOYSA-N
HMDB34676,352.224974134,C20H32O5,CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2CCC(C)(O)C42)C13C,"InChI=1S/C20H32O5/c1-10(8-21)12-7-13-16(2)9-19(23)18(12,4)20(13,24)15(25-19)14-11(16)5-6-17(14,3)22/h10-15,21-24H,5-9H2,1-4H3",RZCWUZMNOGOMNA,UHFFFAOYSA,N,Cinncassiol D1,RZCWUZMNOGOMNA-UHFFFAOYSA-N
HMDB34677,514.277797564,C26H42O10,CC(COC1OC(CO)C(O)C(O)C1O)C1CC2C3(O)C4OC(O)(CC2(C)C2CCC(C)(O)C42)C13C,"InChI=1S/C26H42O10/c1-11(9-34-21-19(30)18(29)17(28)14(8-27)35-21)13-7-15-22(2)10-25(32)24(13,4)26(15,33)20(36-25)16-12(22)5-6-23(16,3)31/h11-21,27-33H,5-10H2,1-4H3",WJAZMOBIGFGGIP,UHFFFAOYSA,N,Cinncassiol D1 glucoside,WJAZMOBIGFGGIP-UHFFFAOYSA-N
HMDB34678,368.219888756,C20H32O6,CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CCC(C)(O)C42)C13C,"InChI=1S/C20H32O6/c1-10(8-21)11-7-12-15(2)9-19(24)17(11,4)20(12,25)14(26-19)13-16(3,22)5-6-18(13,15)23/h10-14,21-25H,5-9H2,1-4H3",SHKTYUCWKCFSRV,UHFFFAOYSA,N,Cinncassiol D2,SHKTYUCWKCFSRV-UHFFFAOYSA-N
HMDB34679,530.272712186,C26H42O11,CC(COC1OC(CO)C(O)C(O)C1O)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CCC(C)(O)C42)C13C,"InChI=1S/C26H42O11/c1-11(9-35-20-17(30)16(29)15(28)13(8-27)36-20)12-7-14-21(2)10-25(33)23(12,4)26(14,34)19(37-25)18-22(3,31)5-6-24(18,21)32/h11-20,27-34H,5-10H2,1-4H3",UPEGWQJBOXUCSZ,UHFFFAOYSA,N,Cinncassiol D2 glucoside,UPEGWQJBOXUCSZ-UHFFFAOYSA-N
HMDB34681,264.084517488,C10H16O8,OCC1OC(OC2COC(=O)C2)C(O)C(O)C1O,"InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2",MQEPWBMWFIVRPS,UHFFFAOYSA,N,3-Hydroxy-4-butanolide,MQEPWBMWFIVRPS-UHFFFAOYSA-N
HMDB34682,650.205814412,C27H38O18,COC1=C(O)C=CC(\C=C/C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C3O)C2O)=C1,"InChI=1S/C27H38O18/c1-39-12-6-10(2-4-11(12)30)3-5-16(31)44-27-23(38)24(45-26-21(36)18(33)14(8-29)42-26)19(34)15(43-27)9-40-25-22(37)20(35)17(32)13(7-28)41-25/h2-6,13-15,17-30,32-38H,7-9H2,1H3/b5-3-",LUBIAXCXQXWFFZ,HYXAFXHYSA,N,cis-Ferulic acid [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester,LUBIAXCXQXWFFZ-HYXAFXHYSA-N
HMDB34683,474.370910088,C30H50O4,CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1CCC1C2(C)CCC2C(C)(C)C3(O)CCC12CO3,"InChI=1S/C30H50O4/c1-24(2)21-11-14-27(6)22(29(21)16-17-30(24,32)33-18-29)9-8-19-20(10-13-26(19,27)5)28(7)15-12-23(34-28)25(3,4)31/h19-23,31-32H,8-18H2,1-7H3",VQVGNVXQGAGQRV,UHFFFAOYSA,N,"(3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,25-diol",VQVGNVXQGAGQRV-UHFFFAOYSA-N
HMDB34684,233.141578857,C14H19NO2,CN1CCCCC1CC(=O)C1=CC=C(O)C=C1,"InChI=1S/C14H19NO2/c1-15-9-3-2-4-12(15)10-14(17)11-5-7-13(16)8-6-11/h5-8,12,16H,2-4,9-10H2,1H3",DZUIOQIFAIDHJH,UHFFFAOYSA,N,Thalictroidine,DZUIOQIFAIDHJH-UHFFFAOYSA-N
HMDB34685,442.381080844,C30H50O2,CC1(C)CCC2(CO)CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1,"InChI=1S/C30H50O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3",RJAKLUPHSBOQNU,UHFFFAOYSA,N,Myricadiol,RJAKLUPHSBOQNU-UHFFFAOYSA-N
HMDB34686,336.230059512,C20H32O4,CC12CCCC(C)(C1CCC(=C)C2CCC(=C)C(O)CO)C(O)=O,"InChI=1S/C20H32O4/c1-13-7-9-17-19(3,10-5-11-20(17,4)18(23)24)15(13)8-6-14(2)16(22)12-21/h15-17,21-22H,1-2,5-12H2,3-4H3,(H,23,24)",SHHPWUDUFQJUTF,UHFFFAOYSA,N,"(14S)-14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid",SHHPWUDUFQJUTF-UHFFFAOYSA-N
HMDB34687,542.142426296,C27H26O12,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O,"InChI=1S/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1-",HQQSMUBDNVIUPF,UPHRSURJSA,N,Resveratrol 4'-(6-galloylglucoside),HQQSMUBDNVIUPF-UPHRSURJSA-N
HMDB34688,290.094294314,C19H14O3,OC1C(O)C2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=CC=C1,"InChI=1S/C19H14O3/c20-17-14-8-4-7-12-9-10-13(11-5-2-1-3-6-11)16(15(12)14)18(21)19(17)22/h1-10,17,19-20,22H",XCXWPSAMZIDDPC,UHFFFAOYSA,N,"2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one",XCXWPSAMZIDDPC-UHFFFAOYSA-N
HMDB34689,486.334524582,C30H46O5,CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(C(O)CC3(C)CCC12C)C(O)=O,"InChI=1S/C30H46O5/c1-25(2)20-8-11-30(7)23(27(20,4)10-9-21(25)32)19(31)14-17-18-15-28(5,24(34)35)22(33)16-26(18,3)12-13-29(17,30)6/h14,18,20-23,32-33H,8-13,15-16H2,1-7H3,(H,34,35)",HFTWTHSIMCSLFQ,UHFFFAOYSA,N,Glabric acid,HFTWTHSIMCSLFQ-UHFFFAOYSA-N
HMDB34690,302.094294314,C20H14O3,COC1=CC2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=C(O)C=C1,"InChI=1S/C20H14O3/c1-23-17-11-14-4-2-3-13-7-10-16(19(18(13)14)20(17)22)12-5-8-15(21)9-6-12/h2-11,21H,1H3",PXMSSFOVGYLJLV,UHFFFAOYSA,N,9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one,PXMSSFOVGYLJLV-UHFFFAOYSA-N
HMDB34691,316.203844762,C20H28O3,CC12CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1=O)C=C2,"InChI=1S/C20H28O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-14,16,23H,5-6,9-11H2,1-4H3",KVDLINJXYLXARR,UHFFFAOYSA,N,Yucalexin B9,KVDLINJXYLXARR-UHFFFAOYSA-N
HMDB34692,346.120509064,C22H18O4,COC1=CC2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C22H18O4/c1-24-17-10-8-14(11-18(17)25-2)16-9-7-13-5-4-6-15-12-19(26-3)22(23)21(16)20(13)15/h4-12H,1-3H3",HCRUKGWNADTRCE,UHFFFAOYSA,N,"9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one",HCRUKGWNADTRCE-UHFFFAOYSA-N
HMDB34693,678.361527192,C36H54O12,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O,"InChI=1S/C36H54O12/c1-31(2)11-13-36(30(45)46)14-12-33(4)17(18(36)15-31)7-8-20-32(3)16-19(37)26(35(6,29(43)44)21(32)9-10-34(20,33)5)48-28-24(40)22(38)23(39)25(47-28)27(41)42/h7,18-26,28,37-40H,8-16H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)",QOOMNXCRAXXTJZ,UHFFFAOYSA,N,Medicagenic acid 3-O-b-D-glucuronide,QOOMNXCRAXXTJZ-UHFFFAOYSA-N
HMDB34694,572.152990982,C28H28O13,COC1=C(OC2OC(COC(C)=O)C(OC(C)=O)C(O)C2OC(C)=O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1,"InChI=1S/C28H28O13/c1-13(29)36-12-23-26(38-14(2)30)25(34)27(39-15(3)31)28(41-23)40-22-10-20-18(9-21(22)35-4)24(33)19(11-37-20)16-5-7-17(32)8-6-16/h5-11,23,25-28,32,34H,12H2,1-4H3",AAOWDCXVOOKARC,UHFFFAOYSA,N,"2'',4'',6''-Triacetylglycitin",AAOWDCXVOOKARC-UHFFFAOYSA-N
HMDB34695,516.308703762,C30H44O7,CC(C)(O)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+",SRPHMISUTWFFKJ,VAWYXSNFSA,N,Cucurbitacin D,SRPHMISUTWFFKJ-VAWYXSNFSA-N
HMDB34696,266.151809192,C15H22O4,CC1C2CCC3(C)C(O)CCC(=C)C3(O)C2OC1=O,"InChI=1S/C15H22O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h9-12,16,18H,1,4-7H2,2-3H3",CJLHTKGWEUGORV,UHFFFAOYSA,N,Artemin,CJLHTKGWEUGORV-UHFFFAOYSA-N
HMDB34697,136.125200512,C10H16,CC1=CC[C@H]2[C@@H](C1)C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1",BQOFWKZOCNGFEC,DTWKUNHWSA,N,(+)-alpha-Carene,BQOFWKZOCNGFEC-DTWKUNHWSA-N
HMDB34698,438.152597052,C21H26O10,CC(O)CC(=O)CC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C)O2,"InChI=1S/C21H26O10/c1-9(23)3-12(24)5-11-6-13(7-15-17(11)14(25)4-10(2)29-15)30-21-20(28)19(27)18(26)16(8-22)31-21/h4,6-7,9,16,18-23,26-28H,3,5,8H2,1-2H3",UCHJBTMJIHWPDI,UHFFFAOYSA,N,7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone 7-glucoside,UCHJBTMJIHWPDI-UHFFFAOYSA-N
HMDB34699,747.404120287,C36H61NO15,CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C36H61NO15/c1-6-7-13-22(3)34(52-33(46)19-26(36(49)50)17-31(43)44)29(51-32(45)18-25(35(47)48)16-30(41)42)15-21(2)12-10-8-9-11-14-27(39)20-28(40)23(4)37-24(5)38/h21-23,25-29,34,39-40H,6-20H2,1-5H3,(H,37,38)(H,41,42)(H,43,44)(H,47,48)(H,49,50)",GQCJWFPDXATUKS,UHFFFAOYSA,N,Fumonisin A2,GQCJWFPDXATUKS-UHFFFAOYSA-N
HMDB34700,508.100561482,C26H20O11,CC(=O)OC1=C(O)C=C2OC3=C(OC(C)=O)C(C4=CC=C(O)C=C4)=C(OC(C)=O)C(OC(C)=O)=C3C2=C1,"InChI=1S/C26H20O11/c1-11(27)33-20-9-17-19(10-18(20)32)37-26-22(17)25(36-14(4)30)23(34-12(2)28)21(24(26)35-13(3)29)15-5-7-16(31)8-6-15/h5-10,31-32H,1-4H3",OKTVZZFJYXWBMZ,UHFFFAOYSA,N,"1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran",OKTVZZFJYXWBMZ-UHFFFAOYSA-N
HMDB34701,508.100561482,C26H20O11,CC(=O)OC1=C(O)C=C2C(OC3=C(OC(C)=O)C(C4=CC=C(O)C=C4)=C(OC(C)=O)C(OC(C)=O)=C23)=C1,"InChI=1S/C26H20O11/c1-11(27)33-20-10-19-17(9-18(20)32)22-25(36-14(4)30)23(34-12(2)28)21(15-5-7-16(31)8-6-15)24(26(22)37-19)35-13(3)29/h5-10,31-32H,1-4H3",AXELIAYKPOXUSU,UHFFFAOYSA,N,"1,2,4,7-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran",AXELIAYKPOXUSU-UHFFFAOYSA-N
HMDB34702,721.388470223,C34H59NO15,CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)",UVBUBMSSQKOIBE,UHFFFAOYSA,N,Fumonisin B1,UVBUBMSSQKOIBE-UHFFFAOYSA-N
HMDB34703,705.393555601,C34H59NO14,CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)",UXDPXZQHTDAXOZ,UHFFFAOYSA,N,Fumonisin B2,UXDPXZQHTDAXOZ-UHFFFAOYSA-N
HMDB34704,502.329439204,C30H46O6,CC(C)(O)\C=C\CC(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(=O)C(O)C4(C)C)C3(C)C(=O)CC12C,"InChI=1S/C30H46O6/c1-25(2,35)12-9-13-29(7,36)23-20(32)15-27(5)21-11-10-17-18(14-19(31)24(34)26(17,3)4)30(21,8)22(33)16-28(23,27)6/h9-10,12,18,20-21,23-24,32,34-36H,11,13-16H2,1-8H3/b12-9+",LTAMPOZNZZLEID,FMIVXFBMSA,N,22-Deoxoisocucurbitacin D,LTAMPOZNZZLEID-FMIVXFBMSA-N
HMDB34705,502.329439204,C30H46O6,CC(C)(O)\C=C\CC(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C,"InChI=1S/C30H46O6/c1-25(2,35)12-9-13-29(7,36)23-20(32)15-27(5)21-11-10-17-18(14-19(31)24(34)26(17,3)4)30(21,8)22(33)16-28(23,27)6/h9-10,12,18-21,23,31-32,35-36H,11,13-16H2,1-8H3/b12-9+",IJFYQSUPMMVTOA,FMIVXFBMSA,N,22-Deoxocucurbitacin D,IJFYQSUPMMVTOA-FMIVXFBMSA-N
HMDB34706,560.334918512,C32H48O8,CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(CO)C(=O)CC12C,"InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+",DGIGXLXLGBAJJN,BUHFOSPRSA,N,Cucurbitacin C,DGIGXLXLGBAJJN-BUHFOSPRSA-N
HMDB34707,576.126776232,C30H24O12,OC1CC2=C(O)C3=C(OC4(OC5=C(C3C4O)C(O)=CC(O)=C5)C3=CC=C(O)C(O)=C3)C=C2OC1C1=CC(O)=C(O)C=C1,"InChI=1S/C30H24O12/c31-13-7-19(36)24-22(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-23(42-30)10-21-14(27(25)38)9-20(37)28(40-21)11-1-3-15(32)17(34)5-11/h1-8,10,20,26,28-29,31-39H,9H2",BEPYKTSNKZMROV,UHFFFAOYSA,N,"Epicatechin-(2beta->7,4beta->6)-catechin",BEPYKTSNKZMROV-UHFFFAOYSA-N
HMDB34708,182.13067982,C11H18O2,COC(=O)CC\C=C/CC\C=C/C,"InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,7-8H,5-6,9-10H2,1-2H3/b4-3-,8-7-",ZYNYTTXGMNCKDP,KPDBFRNYSA,N,"Methyl 4,8-decadienoate",ZYNYTTXGMNCKDP-KPDBFRNYSA-N
HMDB34709,466.089996796,C24H18O10,CC(=O)OC1=C2OC3=C(C=C(O)C(O)=C3)C2=C(OC(C)=O)C(OC(C)=O)=C1C1=CC=C(O)C=C1,"InChI=1S/C24H18O10/c1-10(25)31-21-19(13-4-6-14(28)7-5-13)22(32-11(2)26)24-20(23(21)33-12(3)27)15-8-16(29)17(30)9-18(15)34-24/h4-9,28-30H,1-3H3",DTOIFOOSMQSUBD,UHFFFAOYSA,N,BL IV,DTOIFOOSMQSUBD-UHFFFAOYSA-N
HMDB34711,592.121690854,C30H24O13,CC(=O)OC1=CC=C(C=C1)C1=C(OC(C)=O)C(OC(C)=O)=C2C(OC3=CC(OC(C)=O)=C(OC(C)=O)C=C23)=C1OC(C)=O,"InChI=1S/C30H24O13/c1-13(31)37-20-9-7-19(8-10-20)25-27(40-16(4)34)29(42-18(6)36)26-21-11-23(38-14(2)32)24(39-15(3)33)12-22(21)43-30(26)28(25)41-17(5)35/h7-12H,1-6H3",LSEKLPKUWRDLKY,UHFFFAOYSA,N,Protoleucomelone,LSEKLPKUWRDLKY-UHFFFAOYSA-N
HMDB34712,314.188194698,C20H26O3,CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1C(=O)C2=O,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,18,21H,6-8H2,1-5H3",KVTOPOITUALWOF,UHFFFAOYSA,N,Prexanthoperol,KVTOPOITUALWOF-UHFFFAOYSA-N
HMDB34713,763.399034909,C36H61NO16,CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)\N=C(\C)O)OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C36H61NO16/c1-6-7-10-21(3)34(53-33(47)18-25(36(50)51)16-31(44)45)29(52-32(46)17-24(35(48)49)15-30(42)43)14-20(2)13-26(39)11-8-9-12-27(40)19-28(41)22(4)37-23(5)38/h20-22,24-29,34,39-41H,6-19H2,1-5H3,(H,37,38)(H,42,43)(H,44,45)(H,48,49)(H,50,51)",ADACAMXIRQREOB,UHFFFAOYSA,N,Fumonisin A1,ADACAMXIRQREOB-UHFFFAOYSA-N
HMDB34714,236.177630012,C15H24O2,CC(C)C1CC(=O)C(C)CC\C=C(C)/CC1=O,"InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6-",KDPFMRXIVDLQKX,WDZFZDKYSA,N,Curdione,KDPFMRXIVDLQKX-WDZFZDKYSA-N
HMDB34715,152.120115134,C10H16O,CC(=C)C1CC=C(C)CC1O,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h4,9-11H,1,5-6H2,2-3H3",ZTDBSRAQWPKHIO,UHFFFAOYSA,N,"p-Mentha-1(6),8-dien-3-ol",ZTDBSRAQWPKHIO-UHFFFAOYSA-N
HMDB34716,156.115029756,C9H16O2,CCCCCC(=O)CCC=O,"InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h8H,2-7H2,1H3",MGOKSQNXXRPCMD,UHFFFAOYSA,N,4-Oxononanal,MGOKSQNXXRPCMD-UHFFFAOYSA-N
HMDB34717,156.151415262,C10H20O,CC1CCC(CC1)C(C)(C)O,"InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3",UODXCYZDMHPIJE,UHFFFAOYSA,N,Menthanol,UODXCYZDMHPIJE-UHFFFAOYSA-N
HMDB34718,220.18271539,C15H24O,CC1=C2CCC(C)(O)C2C2C(CC1)C2(C)C,"InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h11-13,16H,5-8H2,1-4H3",FPRYGNYXOFHMLF,UHFFFAOYSA,N,Isospathulenol,FPRYGNYXOFHMLF-UHFFFAOYSA-N
HMDB34719,264.136159128,C15H20O4,CC1C2C3OC(=O)C(C)C3C(O)CC(=C)C2CC1=O,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",ZAPNUFCAIXITRW,UHFFFAOYSA,N,Isoamberboin,ZAPNUFCAIXITRW-UHFFFAOYSA-N
HMDB34720,326.151809192,C20H22O4,COC1=C(O)C=CC(CCC(=O)\C=C\CCC2=CC=C(O)C=C2)=C1,"InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3/b5-3+",JYHZFCAVESZNKO,HWKANZROSA,N,Gingerenone C,JYHZFCAVESZNKO-HWKANZROSA-N
HMDB34721,250.15689457,C15H22O3,CC(C)=C1CC2(O)C(CCC2(C)O)C(C)=CC1=O,"InChI=1S/C15H22O3/c1-9(2)11-8-15(18)12(5-6-14(15,4)17)10(3)7-13(11)16/h7,12,17-18H,5-6,8H2,1-4H3",MBUWIGIPGMJVMN,UHFFFAOYSA,N,Procurcumadiol,MBUWIGIPGMJVMN-UHFFFAOYSA-N
HMDB34722,236.177630012,C15H24O2,CC(CC(=O)C=C(C)C)C1CCC(C)(O)C=C1,"InChI=1S/C15H24O2/c1-11(2)9-14(16)10-12(3)13-5-7-15(4,17)8-6-13/h5,7,9,12-13,17H,6,8,10H2,1-4H3",OZDOAMOSJAOPRV,UHFFFAOYSA,N,"3-Hydroxy-1,10-bisaboladien-9-one",OZDOAMOSJAOPRV-UHFFFAOYSA-N
HMDB34723,244.109944378,C15H16O3,CC12CC3OC(=O)C(=C)C3CC1C(=C)C(=O)C=C2,"InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3",LXMUZMFQJGRVFW,UHFFFAOYSA,N,Encelin,LXMUZMFQJGRVFW-UHFFFAOYSA-N
HMDB34725,464.095476104,C21H20O12,OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O12/c22-6-11-14(25)17(28)19(30)21(33-11)32-10-5-9-12(15(26)13(10)24)16(27)18(29)20(31-9)7-1-3-8(23)4-2-7/h1-5,11,14,17,19,21-26,28-30H,6H2",IYEWEDZIDUAUTD,UHFFFAOYSA,N,6-Hydroxykaempferol 7-glucoside,IYEWEDZIDUAUTD-UHFFFAOYSA-N
HMDB34726,438.349780716,C30H46O2,CC1CCC23COC4(C=CC5C6(C)CCC(=O)C(C)(C)C6CCC5(C)C4(C)CC2)C3C1C,"InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3",PKMBOLUTQNQQBP,UHFFFAOYSA,N,Momordicinin,PKMBOLUTQNQQBP-UHFFFAOYSA-N
HMDB34729,96.057514878,C6H8O,C\C=C\C=C/C=O,"InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4-",BATOPAZDIZEVQF,IAROGAJJSA,N,"(E,E)-2,4-Hexadienal",BATOPAZDIZEVQF-IAROGAJJSA-N
HMDB34730,182.13067982,C11H18O2,CCCCC\C=C/C=C/C(=O)OC,"InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+",SFHSEXGIVSBRRK,UQGDGPGGSA,N,"Methyl (2E,4Z)-decadienoate",SFHSEXGIVSBRRK-UQGDGPGGSA-N
HMDB34731,415.345029689,C27H45NO2,CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CN1,"InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3",XYNPYHXGMWJBLV,UHFFFAOYSA,N,Tomatidine,XYNPYHXGMWJBLV-UHFFFAOYSA-N
HMDB34732,164.083729628,C10H12O2,CC(C)C1=CC(=O)C(C)=CC1=O,"InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3",KEQHJBNSCLWCAE,UHFFFAOYSA,N,Thymoquinone,KEQHJBNSCLWCAE-UHFFFAOYSA-N
HMDB34733,536.152990982,C25H28O13,OCC1OC(OC2OC=C(C3C=CC(O)(COC(=O)\C=C\C4=CC=C(O)C=C4)C23)C(O)=O)C(O)C(O)C1O,"InChI=1S/C25H28O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-8,10,14,16,18-21,23-24,26-27,29-31,34H,9,11H2,(H,32,33)/b6-3+",WJPRKOJNQIZCGY,ZZXKWVIFSA,N,Vaccinoside,WJPRKOJNQIZCGY-ZZXKWVIFSA-N
HMDB34735,286.229665582,C20H30O,CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C2CC1)C=O,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3",HOFSYSONRIGEAC,UHFFFAOYSA,N,Abietinal,HOFSYSONRIGEAC-UHFFFAOYSA-N
HMDB34736,288.245315646,C20H32O,CC(C)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3",GQRUHVMVWNKUFW,UHFFFAOYSA,N,Abietinol,GQRUHVMVWNKUFW-UHFFFAOYSA-N
HMDB34737,916.539551134,C47H80O17,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-59-40-37(56)33(52)26(20-49)60-40)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)32(51)25(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3",MYBAONSAUGZRAX,UHFFFAOYSA,N,Notoginsenoside Fe,MYBAONSAUGZRAX-UHFFFAOYSA-N
HMDB34738,292.167459256,C17H24O4,CC(=O)OC1CC2(C)C3(CO3)C1OC1C=C(C)CCC21C,"InChI=1S/C17H24O4/c1-10-5-6-15(3)13(7-10)21-14-12(20-11(2)18)8-16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3",OZXJPPYWZVBMGW,UHFFFAOYSA,N,Isotrichodermin,OZXJPPYWZVBMGW-UHFFFAOYSA-N
HMDB34739,638.475769088,C37H66O8,CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3",HKMBLJVHVBJAIH,UHFFFAOYSA,N,Bullatanocin,HKMBLJVHVBJAIH-UHFFFAOYSA-N
HMDB34740,638.475769088,C37H66O8,CCCCCCCCCCC(O)C1CC(O)C(O1)C1OC(CC1O)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O8/c1-3-4-5-6-7-13-16-19-22-29(38)33-25-31(40)35(44-33)36-32(41)26-34(45-36)30(39)23-20-17-14-11-9-8-10-12-15-18-21-28-24-27(2)43-37(28)42/h24,27,29-36,38-41H,3-23,25-26H2,1-2H3",DOHLFOVCRSOEOJ,UHFFFAOYSA,N,Annonin XIV,DOHLFOVCRSOEOJ-UHFFFAOYSA-N
HMDB34741,1210.634633308,C58H98O26,CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)41(69)40(68)31(80-51)23-77-49-44(72)36(64)27(62)21-75-49)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-52-47(42(70)38(66)29(19-59)78-52)83-53-48(43(71)39(67)30(20-60)79-53)82-50-45(73)37(65)28(63)22-76-50/h10,25-53,59-74H,9,11-23H2,1-8H3",XBGLCVZQMWKHFC,UHFFFAOYSA,N,Notoginsenoside Fc,XBGLCVZQMWKHFC-UHFFFAOYSA-N
HMDB34742,234.161979948,C15H22O2,CC1C2CCC(C)(C=C)C(C2OC1=O)C(C)=C,"InChI=1S/C15H22O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,10-13H,1-2,7-8H2,3-5H3",LMNJALUUIMXUQQ,UHFFFAOYSA,N,Saussurea lactone,LMNJALUUIMXUQQ-UHFFFAOYSA-N
HMDB34745,800.492207012,C42H72O14,CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3",UZIOUZHBUYLDHW,UHFFFAOYSA,N,Ginsenoside Rf,UZIOUZHBUYLDHW-UHFFFAOYSA-N
HMDB34749,522.21011193,C26H34O11,COC1=CC(\C=C/CO)=CC(C(CO)CC2=CC(OC)=C(O)C=C2)=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C26H34O11/c1-34-19-10-15(5-6-18(19)30)8-16(12-28)17-9-14(4-3-7-27)11-20(35-2)25(17)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-6,9-11,16,21-24,26-33H,7-8,12-13H2,1-2H3/b4-3-",UFFRBCKYXMEITK,ARJAWSKDSA,N,Icariside E5,UFFRBCKYXMEITK-ARJAWSKDSA-N
HMDB34750,250.141638436,C11H22O6,CC(C)CCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C11H22O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h6-15H,3-5H2,1-2H3",PPOCTRFLRHRTTR,UHFFFAOYSA,N,Isopentyl beta-D-glucoside,PPOCTRFLRHRTTR-UHFFFAOYSA-N
HMDB34751,524.189376488,C25H32O12,[H][C@]1(CC(=O)OCCC2=CC=C(O)C=C2)\C(=C\C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC,"InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3-/t16-,18+,20+,21-,22+,24-,25-/m0/s1",GMQXOLRKJQWPNB,FAWHCFPASA,N,Ligustroside,GMQXOLRKJQWPNB-FAWHCFPASA-N
HMDB34752,366.13146768,C18H22O8,CCC\C=C1\OC(=O)C2=C1C=CC=C2OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C18H22O8/c1-2-3-6-10-9-5-4-7-11(13(9)17(23)24-10)25-18-16(22)15(21)14(20)12(8-19)26-18/h4-7,12,14-16,18-22H,2-3,8H2,1H3/b10-6+",LNWJAAMNXBMBCE,UXBLZVDNSA,N,7-beta-D-Glucopyranosyloxybutylidenephthalide,LNWJAAMNXBMBCE-UXBLZVDNSA-N
HMDB34753,452.13186161,C21H24O11,CCC\C=C1\OC(=O)C2=C1C=CC=C2OC1OC(COC(=O)CC(O)=O)C(O)C(O)C1O,"InChI=1S/C21H24O11/c1-2-3-6-11-10-5-4-7-12(16(10)20(28)30-11)31-21-19(27)18(26)17(25)13(32-21)9-29-15(24)8-14(22)23/h4-7,13,17-19,21,25-27H,2-3,8-9H2,1H3,(H,22,23)/b11-6+",CCRZCLUIQCKUKD,IZZDOVSWSA,N,7-Hydroxybutylidenephthalide 7-(6-malonylglucoside),CCRZCLUIQCKUKD-IZZDOVSWSA-N
HMDB34754,380.07771755,C14H20O10S,COC1=CC=C(COC2OC(CO)C(O)C(O)C2OS(O)(=O)=O)C=C1,"InChI=1S/C14H20O10S/c1-21-9-4-2-8(3-5-9)7-22-14-13(24-25(18,19)20)12(17)11(16)10(6-15)23-14/h2-5,10-17H,6-7H2,1H3,(H,18,19,20)",LILHPDXFNPJEJC,UHFFFAOYSA,N,4-Methoxybenzyl O-(2-sulfoglucoside),LILHPDXFNPJEJC-UHFFFAOYSA-N
HMDB34755,326.136553058,C16H22O7,COC\C=C\C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C16H22O7/c1-21-8-2-3-10-4-6-11(7-5-10)22-16-15(20)14(19)13(18)12(9-17)23-16/h2-7,12-20H,8-9H2,1H3/b3-2+",NZZJDBVBBHYGQX,NSCUHMNNSA,N,1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4'-glucoside,NZZJDBVBBHYGQX-NSCUHMNNSA-N
HMDB34756,694.232029162,C29H42O19,COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C3O)C2O)=CC(OC)=C1OC,"InChI=1S/C29H42O19/c1-40-12-6-11(7-13(41-2)25(12)42-3)4-5-17(32)47-29-24(39)26(48-28-22(37)19(34)15(9-31)45-28)20(35)16(46-29)10-43-27-23(38)21(36)18(33)14(8-30)44-27/h4-7,14-16,18-24,26-31,33-39H,8-10H2,1-3H3/b5-4+",PQBHLKVDBLIZKB,SNAWJCMRSA,N,"Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester",PQBHLKVDBLIZKB-SNAWJCMRSA-N
HMDB34757,408.109017678,C16H24O10S,COC1=CC=C(CCCOC2OC(CO)C(O)C(O)C2OS(O)(=O)=O)C=C1,"InChI=1S/C16H24O10S/c1-23-11-6-4-10(5-7-11)3-2-8-24-16-15(26-27(20,21)22)14(19)13(18)12(9-17)25-16/h4-7,12-19H,2-3,8-9H2,1H3,(H,20,21,22)",NFHUINPPHVBFGH,UHFFFAOYSA,N,4-Methoxybenzenepropanol 1-(2-sulfoglucoside),NFHUINPPHVBFGH-UHFFFAOYSA-N
HMDB34758,140.120115134,C9H16O,CCC(=O)CCCCC=C,"InChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h3H,1,4-8H2,2H3",URHJFGWIPKNQFW,UHFFFAOYSA,N,8-Nonen-3-one,URHJFGWIPKNQFW-UHFFFAOYSA-N
HMDB34759,208.055800318,C11H12O2S,COC(=O)CCC1=CC=C(S1)C#CC,"InChI=1S/C11H12O2S/c1-3-4-9-5-6-10(14-9)7-8-11(12)13-2/h5-6H,7-8H2,1-2H3",UOKDPAAQNNWFSY,UHFFFAOYSA,N,Methyl 5-(1-Propynyl)-2-thiophenepropanoate,UOKDPAAQNNWFSY-UHFFFAOYSA-N
HMDB34760,458.230453442,C26H34O7,CO\C=C(/C(=O)OC)\C(\CO)=C/C=C\C1=CC2=C(OCC(OCC=C(C)C)C(C)(C)O2)C=C1,"InChI=1S/C26H34O7/c1-18(2)12-13-31-24-17-32-22-11-10-19(14-23(22)33-26(24,3)4)8-7-9-20(15-27)21(16-29-5)25(28)30-6/h7-12,14,16,24,27H,13,15,17H2,1-6H3/b8-7-,20-9-,21-16-",NONWIHHDNSSAAO,HUGQQNFDSA,N,Hydroxystrobilurin D,NONWIHHDNSSAAO-HUGQQNFDSA-N
HMDB34761,140.120115134,C9H16O,CCC\C=C\CCC(C)=O,"InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+",RXFZCBZCGBDPDT,AATRIKPKSA,N,5-Nonen-2-one,RXFZCBZCGBDPDT-AATRIKPKSA-N
HMDB34764,140.120115134,C9H16O,CCCCC\C=C/C(C)=O,"InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7-",HDKLIZDXVUCLHQ,FPLPWBNLSA,N,3-Nonen-2-one,HDKLIZDXVUCLHQ-FPLPWBNLSA-N
HMDB34765,294.049669082,C13H14N2O2S2,CON1C(=O)\C(=C\N=C(SC)SC)C2=CC=CC=C12,"InChI=1S/C13H14N2O2S2/c1-17-15-11-7-5-4-6-9(11)10(12(15)16)8-14-13(18-2)19-3/h4-8H,1-3H3/b10-8+",JJQPWCPYNJNWID,CSKARUKUSA,N,Wasalexin A,JJQPWCPYNJNWID-CSKARUKUSA-N
HMDB34766,516.126776232,C25H24O12,O[C@@H]1C[C@](C(=O)O)(C[C@@H](O)[C@H]1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)OC(=O)\C=C\C1=CC=C(O)C(O)=C1,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",IYXQRCXQQWUFQV,PSEXTPKNSA,N,"1,4-Di-O-caffeoylquinic acid",IYXQRCXQQWUFQV-PSEXTPKNSA-N
HMDB34767,315.104147493,C16H17N3O2S,OC(=O)C1CC2=C(NC3=C2C=CC=C3)C(N1)C1CCNC1=S,"InChI=1S/C16H17N3O2S/c20-16(21)12-7-10-8-3-1-2-4-11(8)18-14(10)13(19-12)9-5-6-17-15(9)22/h1-4,9,12-13,18-19H,5-7H2,(H,17,22)(H,20,21)",YHAYSIGUKKXZJH,UHFFFAOYSA,N,"(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid",YHAYSIGUKKXZJH-UHFFFAOYSA-N
HMDB34768,294.049669082,C13H14N2O2S2,CON1C(=O)\C(=C/N=C(SC)SC)C2=CC=CC=C12,"InChI=1S/C13H14N2O2S2/c1-17-15-11-7-5-4-6-9(11)10(12(15)16)8-14-13(18-2)19-3/h4-8H,1-3H3/b10-8-",JJQPWCPYNJNWID,NTMALXAHSA,N,Wasalexin B,JJQPWCPYNJNWID-NTMALXAHSA-N
HMDB34769,44.006959742,BHO2,OB=O,InChI=1S/BHO2/c2-1-3/h2H,VGTPKLINSHNZRD,UHFFFAOYSA,N,Boric acid (HBO2),VGTPKLINSHNZRD-UHFFFAOYSA-N
HMDB34770,640.449160408,C43H60O4,COC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C43H60O4/c1-34(2)18-13-21-37(5)23-14-24-38(6)25-16-27-40(8)32-33-47-42(44)31-30-39(7)26-15-22-35(3)19-11-12-20-36(4)28-17-29-41(9)43(45)46-10/h11-12,15,17-20,22-23,25-26,28-32H,13-14,16,21,24,27,33H2,1-10H3/b12-11+,22-15+,28-17+,31-30+,35-19+,36-20+,37-23+,38-25+,39-26+,40-32+,41-29+",KJAWBWQJDQHEDL,KQTSZGLPSA,N,"6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate",KJAWBWQJDQHEDL-KQTSZGLPSA-N
HMDB34771,334.199153314,C16H30O7,CC(CCOC1OC(CO)C(O)C(O)C1O)C\C=C\C(C)(C)O,"InChI=1S/C16H30O7/c1-10(5-4-7-16(2,3)21)6-8-22-15-14(20)13(19)12(18)11(9-17)23-15/h4,7,10-15,17-21H,5-6,8-9H2,1-3H3/b7-4+",ZCDKJIRLFSPIQI,QPJJXVBHSA,N,"3,7-Dimethyl-5-octene-1,7-diol 1-glucoside",ZCDKJIRLFSPIQI-QPJJXVBHSA-N
HMDB34772,332.18350325,C16H28O7,CC1(C)OC2(C)CCC1C(C2)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O7/c1-15(2)8-4-5-16(3,23-15)6-9(8)21-14-13(20)12(19)11(18)10(7-17)22-14/h8-14,17-20H,4-7H2,1-3H3",WPVRGZPCRCFTNS,UHFFFAOYSA,N,"(1R,3S,4S)-1,8-Epoxy-p-menthan-3-ol glucoside",WPVRGZPCRCFTNS-UHFFFAOYSA-N
HMDB34773,537.184625461,C25H31NO12,COC1C(O)CC(OC2OC(CO)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)\C(=C\C#N)C1O,"InChI=1S/C25H31NO12/c1-34-17-9-12(3-5-14(17)28)4-6-19(30)38-24-22(33)21(32)18(11-27)37-25(24)36-16-10-15(29)23(35-2)20(31)13(16)7-8-26/h3-7,9,15-16,18,20-25,27-29,31-33H,10-11H2,1-2H3/b6-4+,13-7-",KZBHGKPXLHDZDW,VKIZFATHSA,N,4-Demethylsimmondsin 2'-(E)-ferulate,KZBHGKPXLHDZDW-VKIZFATHSA-N
HMDB34774,537.184625461,C25H31NO12,COC1CC(OC2OC(CO)C(O)C(O)C2OC(=O)\C=C/C2=CC(OC)=C(O)C=C2)\C(=C\C#N)C(O)C1O,"InChI=1S/C25H31NO12/c1-34-16-9-12(3-5-14(16)28)4-6-19(29)38-24-23(33)22(32)18(11-27)37-25(24)36-15-10-17(35-2)21(31)20(30)13(15)7-8-26/h3-7,9,15,17-18,20-25,27-28,30-33H,10-11H2,1-2H3/b6-4-,13-7-",RSANRMXIULPPSK,LNPZZTDESA,N,3-Demethylsimmondsin 2'-(Z)-ferulate,RSANRMXIULPPSK-LNPZZTDESA-N
HMDB34777,261.121237345,C11H19NO6,CC(C)(CC#N)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C11H19NO6/c1-11(2,3-4-12)18-10-9(16)8(15)7(14)6(5-13)17-10/h6-10,13-16H,3,5H2,1-2H3",GDSYPXWUHMRTHT,UHFFFAOYSA,N,Epidermin,GDSYPXWUHMRTHT-UHFFFAOYSA-N
HMDB34778,106.062994186,C4H10O3,CC(O)C(O)CO,"InChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3",YAXKTBLXMTYWDQ,UHFFFAOYSA,N,"(2R*,3R*)-1,2,3-Butanetriol",YAXKTBLXMTYWDQ-UHFFFAOYSA-N
HMDB34779,294.18310932,C17H26O4,COC1=C(O)C=CC(COC(=O)CCCCCC(C)C)=C1,"InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3",BXBVPYSHEOQGHP,UHFFFAOYSA,N,Nordihydrocapsiate,BXBVPYSHEOQGHP-UHFFFAOYSA-N
HMDB34780,306.18310932,C18H26O4,COC1=C(O)C=CC(COC(=O)CCCC\C=C\C(C)C)=C1,"InChI=1S/C18H26O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h6,8,10-12,14,19H,4-5,7,9,13H2,1-3H3/b8-6+",ZICNYIDDNJYKCP,SOFGYWHQSA,N,Capsiate,ZICNYIDDNJYKCP-SOFGYWHQSA-N
HMDB34781,308.198759384,C18H28O4,COC1=C(O)C=CC(COC(=O)CCCCCCC(C)C)=C1,"InChI=1S/C18H28O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h10-12,14,19H,4-9,13H2,1-3H3",RBCYRZPENADQGZ,UHFFFAOYSA,N,Dihydrocapsiate,RBCYRZPENADQGZ-UHFFFAOYSA-N
HMDB34782,188.014329434,C7H8O4S,OS(=O)(=O)OCC1=CC=CC=C1,"InChI=1S/C7H8O4S/c8-12(9,10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)",CZNJCCVKDVCRKF,UHFFFAOYSA,N,Benzyl sulfate,CZNJCCVKDVCRKF-UHFFFAOYSA-N
HMDB34783,188.141244506,C10H20O3,CC(C)(O)C1CCC(O)(CO)CC1,"InChI=1S/C10H20O3/c1-9(2,12)8-3-5-10(13,7-11)6-4-8/h8,11-13H,3-7H2,1-2H3",TVWCVYDBLMOUAI,UHFFFAOYSA,N,"cis-p-Menthane-1,7,8-triol",TVWCVYDBLMOUAI-UHFFFAOYSA-N
HMDB34784,350.194067936,C16H30O8,CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO)CC1,"InChI=1S/C16H30O8/c1-15(2,9-3-5-16(22,8-18)6-4-9)24-14-13(21)12(20)11(19)10(7-17)23-14/h9-14,17-22H,3-8H2,1-2H3",PHDIOUHOXBJRFB,UHFFFAOYSA,N,"trans-p-Menthane-1,7,8-triol 8-glucoside",PHDIOUHOXBJRFB-UHFFFAOYSA-N
HMDB34785,904.251976744,C56H40O12,OC1=CC=C(C=C1)C1OC2=CC(O)=CC3=C2C1C1=C(C(C3C2=C(O)C=CC(\C=C\C3=CC(O)=CC4=C3C(=C(O4)C3=CC=C(O)C=C3)C3=C(O)C=C(O)C=C3)=C2)C2=CC=C(O)C=C2)C(O)=CC(O)=C1,"InChI=1S/C56H40O12/c57-32-10-4-28(5-11-32)49-50(41-22-38(63)26-47-52(41)54(42-21-37(62)24-45(66)51(42)49)56(68-47)30-8-14-34(59)15-9-30)40-19-27(2-18-43(40)64)1-3-31-20-36(61)25-46-48(31)53(39-17-16-35(60)23-44(39)65)55(67-46)29-6-12-33(58)13-7-29/h1-26,49-50,54,56-66H/b3-1+",NOZYZQHNBQSLNF,HNQUOIGGSA,N,Vitisifuran A,NOZYZQHNBQSLNF-HNQUOIGGSA-N
HMDB34786,348.178417872,C16H28O8,[H]C12CCC(CO)(OC1(C)C)C(C2)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O8/c1-15(2)8-3-4-16(7-18,24-15)10(5-8)23-14-13(21)12(20)11(19)9(6-17)22-14/h8-14,17-21H,3-7H2,1-2H3",IULDBYINDUBFDT,UHFFFAOYSA,N,"(1S,2S,4S)-1,8-Epoxy-p-menthane-2,7-diol 2-O-b-D-glucoside",IULDBYINDUBFDT-UHFFFAOYSA-N
HMDB34787,517.137281339,C28H23NO9,COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2)C(OC2C(O)C(C)(C)OC3=C2C2=C(C=CC(=O)O2)C=C3)=C(O)C=C1,"InChI=1S/C28H23NO9/c1-28(2)27(34)26(21-18(38-28)8-4-12-5-9-19(32)36-24(12)21)37-25-16(30)7-6-14-22(25)29-15-10-13(35-3)11-17(31)20(15)23(14)33/h4-11,26-27,30-31,34H,1-3H3,(H,29,33)",LCGFAZIBUURPDA,UHFFFAOYSA,N,Neoacrimarine J,LCGFAZIBUURPDA-UHFFFAOYSA-N
HMDB34788,531.152931403,C29H25NO9,COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2)C(OC2C(O)C(C)(C)OC3=C2C2=C(C=CC(=O)O2)C=C3)=C(OC)C=C1,"InChI=1S/C29H25NO9/c1-29(2)28(34)27(22-18(39-29)8-5-13-6-10-20(32)37-25(13)22)38-26-19(36-4)9-7-15-23(26)30-16-11-14(35-3)12-17(31)21(16)24(15)33/h5-12,27-28,31,34H,1-4H3,(H,30,33)",MHUAXBOYNZWGTG,UHFFFAOYSA,N,Neoacrimarine I,MHUAXBOYNZWGTG-UHFFFAOYSA-N
HMDB34789,151.875234255,Cl3OP,ClP(Cl)(Cl)=O,"InChI=1S/Cl3OP/c1-5(2,3)4",XHXFXVLFKHQFAL,UHFFFAOYSA,N,Phosphoryl chloride,XHXFXVLFKHQFAL-UHFFFAOYSA-N
HMDB34790,33.997236608,H3P,P,InChI=1S/H3P/h1H3,XYFCBTPGUUZFHI,UHFFFAOYSA,N,Phosphine,XYFCBTPGUUZFHI-UHFFFAOYSA-N
HMDB34811,431.120599217,C15H22N5O8P,C\C(CO)=C/CNC1=C2N=CN(C3OC(COP(O)(O)=O)C(O)C3O)C2=NC=N1,"InChI=1S/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)/b8-2+",IRILMCCKFANGJQ,KRXBUXKQSA,N,Ribosylzeatin phosphate,IRILMCCKFANGJQ-KRXBUXKQSA-N
HMDB34812,562.205026552,C28H34O12,COC1=CC=C(C=C1OC)C1=COC2=C(CCC(C)(C)O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2C1=O,"InChI=1S/C28H34O12/c1-28(2,35)8-7-14-18(39-27-25(34)24(33)23(32)20(11-29)40-27)10-16(30)21-22(31)15(12-38-26(14)21)13-5-6-17(36-3)19(9-13)37-4/h5-6,9-10,12,20,23-25,27,29-30,32-35H,7-8,11H2,1-4H3/t20-,23-,24+,25-,27-/m1/s1",AQOVBCDOFOOETK,KAPITKBASA,N,"5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside",AQOVBCDOFOOETK-KAPITKBASA-N
HMDB34813,518.178811802,C26H30O11,CC(C)(O)CCC1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C2=C1OC=C(C2=O)C1=CC=C(O)C=C1,"InChI=1S/C26H30O11/c1-26(2,34)8-7-14-17(36-25-23(33)22(32)21(31)18(10-27)37-25)9-16(29)19-20(30)15(11-35-24(14)19)12-3-5-13(28)6-4-12/h3-6,9,11,18,21-23,25,27-29,31-34H,7-8,10H2,1-2H3",TXTMNYOFDDIPOC,UHFFFAOYSA,N,Lupiwighteone hydrate 7-glucoside,TXTMNYOFDDIPOC-UHFFFAOYSA-N
HMDB34814,430.41746635,C30H54O,CCCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C30H54O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h20-28,31H,7-19H2,1-6H3",PRYZFHOWQYCASL,UHFFFAOYSA,N,24-Propylcholestan-3-ol,PRYZFHOWQYCASL-UHFFFAOYSA-N
HMDB34816,940.430394616,C46H68O20,CC1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(=C)CCC3(CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)OC1OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C1O)C(O)=O,"InChI=1S/C46H68O20/c1-20-9-14-46(41(60)66-39-30(52)29(51)28(50)23(18-47)62-39)16-15-44(5)21(22(46)17-20)7-8-25-43(4)12-11-26(42(2,3)24(43)10-13-45(25,44)6)63-40-32(54)34(31(53)35(65-40)37(58)59)64-38(33(55)36(56)57)61-19-27(48)49/h7,22-26,28-35,38-40,47,50-55H,1,8-19H2,2-6H3,(H,48,49)(H,56,57)(H,58,59)",JFNPDXITRQKPBX,UHFFFAOYSA,N,Betavulgaroside VIII,JFNPDXITRQKPBX-UHFFFAOYSA-N
HMDB34817,910.456215436,C46H70O18,CC1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(=C)CCC3(CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)OC1OC(C(O)C(OC2OCC(O)C(O)C2O)C1O)C(O)=O,"InChI=1S/C46H70O18/c1-20-9-14-46(41(58)64-39-32(53)30(51)29(50)24(18-47)60-39)16-15-44(5)21(22(46)17-20)7-8-26-43(4)12-11-27(42(2,3)25(43)10-13-45(26,44)6)61-40-34(55)35(33(54)36(63-40)37(56)57)62-38-31(52)28(49)23(48)19-59-38/h7,22-36,38-40,47-55H,1,8-19H2,2-6H3,(H,56,57)",BOUDARFVWGDGSN,UHFFFAOYSA,N,Betavulgaroside X,BOUDARFVWGDGSN-UHFFFAOYSA-N
HMDB34818,738.455427576,C40H66O12,CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1,"InChI=1S/C40H66O12/c1-35(19-41)15-22-21-7-8-26-37(3)11-10-28(51-34-31(48)32(24(44)18-50-34)52-33-30(47)29(46)23(43)17-49-33)38(4,20-42)25(37)9-12-40(26,6)39(21,5)14-13-36(22,2)27(45)16-35/h7,22-34,41-48H,8-20H2,1-6H3",IIGCLRZFLHHLGL,UHFFFAOYSA,N,"(3b,22a)-12-Oleanene-3,22,24,29-tetrol 3-[arabinosyl-(1->3)-arabinoside]",IIGCLRZFLHHLGL-UHFFFAOYSA-N
HMDB34819,638.475769088,C37H66O8,CCCCCCCC(O)CCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H66O8/c1-3-4-5-10-13-16-29(38)19-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)18-15-12-9-7-6-8-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3",AJWQQZIFWOFRRM,UHFFFAOYSA,N,27-Hydroxybullatacin,AJWQQZIFWOFRRM-UHFFFAOYSA-N
HMDB34825,64.966841334,ClNO,ClN=O,InChI=1S/ClNO/c1-2-3,VPCDQGACGWYTMC,UHFFFAOYSA,N,Nitrosyl chloride ((NO)Cl),VPCDQGACGWYTMC-UHFFFAOYSA-N
HMDB34826,66.9586819,ClO2,O=[Cl]=O,InChI=1S/ClO2/c2-1-3,OSVXSBDYLRYLIG,UHFFFAOYSA,N,Chlorine oxide,OSVXSBDYLRYLIG-UHFFFAOYSA-N
HMDB34827,118.909632126,Cl3N,ClN(Cl)Cl,InChI=1S/Cl3N/c1-4(2)3,QEHKBHWEUPXBCW,UHFFFAOYSA,N,Nitrogen chloride (NCl3),QEHKBHWEUPXBCW-UHFFFAOYSA-N
HMDB34828,126.957542837,HNO5S,OS(=O)(=O)ON=O,"InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5)",VQTGUFBGYOIUFS,UHFFFAOYSA,N,Nitrosylsulfuric acid,VQTGUFBGYOIUFS-UHFFFAOYSA-N
HMDB34829,81.97246462,H2O3S,OS(O)=O,"InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)",LSNNMFCWUKXFEE,UHFFFAOYSA,N,Sulfurous acid,LSNNMFCWUKXFEE-UHFFFAOYSA-N
HMDB34830,96.983363657,H3NO3S,NS(O)(=O)=O,"InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)",IIACRCGMVDHOTQ,UHFFFAOYSA,N,Amidosulfonic acid,IIACRCGMVDHOTQ-UHFFFAOYSA-N
HMDB34831,227.913081312,H5IO6,O[I](O)(O)(O)(O)=O,"InChI=1S/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7)",TWLXDPFBEPBAQB,UHFFFAOYSA,N,Orthoperiodic acid,TWLXDPFBEPBAQB-UHFFFAOYSA-N
HMDB34834,63.961899934,O2S,O=S=O,InChI=1S/O2S/c1-3-2,RAHZWNYVWXNFOC,UHFFFAOYSA,N,Sulfur dioxide,RAHZWNYVWXNFOC-UHFFFAOYSA-N
HMDB34835,126.068079564,C7H10O2,CCC1OC1\C=C\C=O,"InChI=1S/C7H10O2/c1-2-6-7(9-6)4-3-5-8/h3-7H,2H2,1H3/b4-3+",PGTKHYGKDOAHEN,ONEGZZNKSA,N,3-(3-Ethyloxiranyl)-2-propenal,PGTKHYGKDOAHEN-ONEGZZNKSA-N
HMDB34836,370.141638436,C21H22O6,C\C(C\C=C\C(C)(C)OO)=C/COC1=C2OC(=O)C=CC2=CC2=C1OC=C2,"InChI=1S/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+",NNZMYFZCHMIZMN,OVXNXNIRSA,N,Lansiumarin B,NNZMYFZCHMIZMN-OVXNXNIRSA-N
HMDB34837,352.13107375,C21H20O5,C\C(CCC(=O)C(C)=C)=C/COC1=C2OC(=O)C=CC2=CC2=C1OC=C2,"InChI=1S/C21H20O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-12H,1,4,6,10H2,2-3H3/b14-8+",XWVDCVZOOVTJKF,RIYZIHGNSA,N,Lansiumarin A,XWVDCVZOOVTJKF-RIYZIHGNSA-N
HMDB34838,354.146723814,C21H22O5,CC(=C)C(O)CC\C(C)=C\COC1=C2OC(=O)C=CC2=CC2=C1OC=C2,"InChI=1S/C21H22O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-12,17,22H,1,4,6,10H2,2-3H3/b14-8+",DBHLROWQWPSCQG,RIYZIHGNSA,N,Lansiumarin C,DBHLROWQWPSCQG-RIYZIHGNSA-N
HMDB34839,452.36543078,C31H48O2,CC(C)CCCC(C)CCCC(C)CCCC(C)CCC1=C(C)C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-19,22-25H,9-17,20-21H2,1-6H3",XOQNYHSBHIIJMQ,UHFFFAOYSA,N,"2',3'-Dihydro-phytomenadione",XOQNYHSBHIIJMQ-UHFFFAOYSA-N
HMDB34840,624.54814617,C42H72O3,CCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(C)=CCC4(C)C(O)CC32C)C1(C)C,"InChI=1S/C42H72O3/c1-10-11-12-13-14-15-16-17-18-19-36(44)45-35-24-26-39(6)32(38(35,4)5)23-27-41(8)33(39)21-20-31-37-30(3)29(2)22-25-40(37,7)34(43)28-42(31,41)9/h22,30-35,37,43H,10-21,23-28H2,1-9H3",NKKIRZWINJADJC,UHFFFAOYSA,N,Faradiol laurate,NKKIRZWINJADJC-UHFFFAOYSA-N
HMDB34841,652.579446298,C44H76O3,CCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(C)=CCC4(C)C(O)CC32C)C1(C)C,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(3)31(2)24-27-42(39,7)36(45)30-44(33,43)9/h24,32-37,39,45H,10-23,25-30H2,1-9H3",NBOLCRCNSYVBMT,UHFFFAOYSA,N,Faradiol myristate,NBOLCRCNSYVBMT-UHFFFAOYSA-N
HMDB34842,680.610746426,C46H80O3,CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(C)=CCC4(C)C(O)CC32C)C1(C)C,"InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-28-30-43(6)36(42(39,4)5)27-31-45(8)37(43)25-24-35-41-34(3)33(2)26-29-44(41,7)38(47)32-46(35,45)9/h26,34-39,41,47H,10-25,27-32H2,1-9H3",TXBRTEQRWJPSKE,UHFFFAOYSA,N,Faradiol palmitate,TXBRTEQRWJPSKE-UHFFFAOYSA-N
HMDB34843,624.205420482,C29H36O15,CC1OC(OC2C(O)C(OCCC3=CC(O)=C(O)C=C3)OC(CO)C2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+",FBSKJMQYURKNSU,QPJJXVBHSA,N,Acteoside,FBSKJMQYURKNSU-QPJJXVBHSA-N
HMDB34844,198.161979948,C12H22O2,C[C@@H](CCOC(C)=O)CCC=C(C)C,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1",JOZKFWLRHCDGJA,LLVKDONJSA,N,Citronellyl acetate,JOZKFWLRHCDGJA-LLVKDONJSA-N
HMDB34845,140.120115134,C9H16O,CCCC\C=C\C=C\CO,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-8,10H,2-4,9H2,1H3/b6-5+,8-7+",NCPWFIVLKCFWSP,BSWSSELBSA,N,"2,4-Nonadien-1-ol",NCPWFIVLKCFWSP-BSWSSELBSA-N
HMDB34846,150.104465071,C10H14O,CC(CO)C1=CC=C(C)C=C1,"InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3",CLFDIFDNDWRHJF,UHFFFAOYSA,N,2-(4-Methylphenyl)-1-propanol,CLFDIFDNDWRHJF-UHFFFAOYSA-N
HMDB34848,154.135765198,C10H18O,C=CCCCCCCCC=O,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h2,10H,1,3-9H2",AKMSQWLDTSOVME,UHFFFAOYSA,N,9-Decenal,AKMSQWLDTSOVME-UHFFFAOYSA-N
HMDB34849,172.146329884,C10H20O2,CCCCCC(C)CCC(O)=O,"InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",WQTZCQIRCYSUBQ,UHFFFAOYSA,N,4-Methylnonanoic acid,WQTZCQIRCYSUBQ-UHFFFAOYSA-N
HMDB34850,417.006530033,C14H13Cl2N5O4S,COC1=NC2=NC(=NN2C(OC)=C1)S(=O)(=O)NC1=C(Cl)C=CC(C)=C1Cl,"InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3",VGHPMIFEKOFHHQ,UHFFFAOYSA,N,Metosulam,VGHPMIFEKOFHHQ-UHFFFAOYSA-N
HMDB34851,172.073558872,C8H12O4,CCOC(=O)C(=O)CC(=O)CC,"InChI=1S/C8H12O4/c1-3-6(9)5-7(10)8(11)12-4-2/h3-5H2,1-2H3",JGFBKJBAYISHAG,UHFFFAOYSA,N,"Ethyl 2,4-dioxohexanoate",JGFBKJBAYISHAG-UHFFFAOYSA-N
HMDB34852,385.98187272,C11H10Cl2F2N4O3S,CC1=NN(C(=O)N1C(F)F)C1=C(Cl)C=C(Cl)C(NS(C)(=O)=O)=C1,"InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3",OORLZFUTLGXMEF,UHFFFAOYSA,N,Sulfentrazone,OORLZFUTLGXMEF-UHFFFAOYSA-N
HMDB34853,225.126597495,C14H15N3,CC1=CC(=NC(NC2=CC=CC=C2)=N1)C1CC1,"InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)",HAORKNGNJCEJBX,UHFFFAOYSA,N,Cyprodinil,HAORKNGNJCEJBX-UHFFFAOYSA-N
HMDB34854,354.101585183,C19H15FN2O4,FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2,"InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2",FOUWCSDKDDHKQP,UHFFFAOYSA,N,Flumioxazin,FOUWCSDKDDHKQP-UHFFFAOYSA-N
HMDB34855,932.279767214,C40H52O25,COC1=CC2=C(C(=O)C3=C(C=C(C)C=C3O)C2=O)C(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1,"InChI=1S/C40H52O25/c1-11-3-13-21(15(43)4-11)28(49)22-14(23(13)44)5-12(57-2)6-16(22)60-39-33(54)30(51)25(46)19(63-39)10-59-38-35(56)36(27(48)18(8-42)62-38)65-40-34(55)31(52)26(47)20(64-40)9-58-37-32(53)29(50)24(45)17(7-41)61-37/h3-6,17-20,24-27,29-43,45-48,50-56H,7-10H2,1-2H3",PIFVMMPDYLWDPU,UHFFFAOYSA,N,Torososide B,PIFVMMPDYLWDPU-UHFFFAOYSA-N
HMDB34856,170.167065326,C11H22O,CCCCCCCC\C=C\CO,"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10,12H,2-8,11H2,1H3/b10-9+",SKBIQKQBLQHOSU,MDZDMXLPSA,N,2-Undecen-1-ol,SKBIQKQBLQHOSU-MDZDMXLPSA-N
HMDB34857,220.055800318,C12H12O2S,C1COC2(C1)O\C(=C\C1=CC=CS1)C=C2,"InChI=1S/C12H12O2S/c1-3-11(15-8-1)9-10-4-6-12(14-10)5-2-7-13-12/h1,3-4,6,8-9H,2,5,7H2/b10-9+",LLZQYUSTIRVCPF,MDZDMXLPSA,N,"2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene",LLZQYUSTIRVCPF-MDZDMXLPSA-N
HMDB34858,206.040150254,C11H10O2S,COC(=O)\C=C/C1=CC=C(S1)C#CC,"InChI=1S/C11H10O2S/c1-3-4-9-5-6-10(14-9)7-8-11(12)13-2/h5-8H,1-2H3/b8-7-",XXSPOWNRZKCIRF,FPLPWBNLSA,N,Methyl (Z)-5-(1-propynyl)-2-thienylacrylate,XXSPOWNRZKCIRF-FPLPWBNLSA-N
HMDB34859,434.041145261,C13H15ClN6O7S,COC(=O)C1=C(N(C)N=C1Cl)S(=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1,"InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)",FMGZEUWROYGLAY,UHFFFAOYSA,N,Halosulfuron-methyl,FMGZEUWROYGLAY-UHFFFAOYSA-N
HMDB34860,423.124878763,C21H23ClFNO5,CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O,"InChI=1S/C21H23ClFNO5/c1-2-3-6-9-28-19(25)12-29-18-11-17(16(23)10-15(18)22)24-20(26)13-7-4-5-8-14(13)21(24)27/h10-11H,2-9,12H2,1H3",IRECWLYBCAZIJM,UHFFFAOYSA,N,Flumiclorac-pentyl,IRECWLYBCAZIJM-UHFFFAOYSA-N
HMDB34861,312.120902994,C15H20O7,OCC1OC(OC2=C(O)C=C(CC=C)C=C2)C(O)C(O)C1O,"InChI=1S/C15H20O7/c1-2-3-8-4-5-10(9(17)6-8)21-15-14(20)13(19)12(18)11(7-16)22-15/h2,4-6,11-20H,1,3,7H2",SUXVWSIPTXXPOZ,UHFFFAOYSA,N,3-Hydroxychavicol 1-glucoside,SUXVWSIPTXXPOZ-UHFFFAOYSA-N
HMDB34862,344.110732238,C15H20O9,COC1=C(C(C)=O)C(OC2OC(CO)C(O)C(O)C2O)=CC(O)=C1,"InChI=1S/C15H20O9/c1-6(17)11-8(22-2)3-7(18)4-9(11)23-15-14(21)13(20)12(19)10(5-16)24-15/h3-4,10,12-16,18-21H,5H2,1-2H3",YIVAJDUKDDJWPS,UHFFFAOYSA,N,"4',6'-Dihydroxy-2'-methoxyacetophenone 6'-glucoside",YIVAJDUKDDJWPS-UHFFFAOYSA-N
HMDB34863,326.136553058,C16H22O7,CC(=O)CCC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3",IDONYWHRKBUDOR,UHFFFAOYSA,N,4-(4-Hydroxyphenyl)-2-butanone glucoside,IDONYWHRKBUDOR-UHFFFAOYSA-N
HMDB34864,211.048072403,C9H9NO5,COC1=CC2=C(C=C1)N(O)C(=O)C(O)O2,"InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3",GDNZNIJPBQATCZ,UHFFFAOYSA,N,"2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one",GDNZNIJPBQATCZ-UHFFFAOYSA-N
HMDB34865,882.49768632,C46H74O16,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)61-38-35(54)33(52)32(51)26(60-38)21-59-39-36(31(50)25(48)20-58-39)62-37-34(53)30(49)24(47)19-57-37/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)",WBBKABSSSHJZGN,UHFFFAOYSA,N,Pitheduloside B,WBBKABSSSHJZGN-UHFFFAOYSA-N
HMDB34866,1044.55050975,C52H84O21,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C52H84O21/c1-47(2)14-16-52(46(64)65)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)71-45-41(73-43-39(63)36(60)34(58)27(19-53)69-43)37(61)35(59)28(70-45)22-68-44-40(33(57)26(55)21-67-44)72-42-38(62)32(56)25(54)20-66-42/h8,24-45,53-63H,9-22H2,1-7H3,(H,64,65)",KFZSKNXELYGVEA,UHFFFAOYSA,N,Pitheduloside F,KFZSKNXELYGVEA-UHFFFAOYSA-N
HMDB34867,370.141638436,C21H22O6,COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C2CC(O)C(C)(C)OC2=C1,"InChI=1S/C21H22O6/c1-21(2)18(24)10-14-16(27-21)11-17(26-3)19(20(14)25)15(23)9-6-12-4-7-13(22)8-5-12/h4-9,11,18,22,24-25H,10H2,1-3H3/b9-6+",GUQGMEWOCKDLDE,RMKNXTFCSA,N,Xanthohumol B,GUQGMEWOCKDLDE-RMKNXTFCSA-N
HMDB34868,1118.55090368,C54H86O24,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-39(67)40(75-44-36(64)33(61)30(58)24(19-55)71-44)41(42(77-47)43(68)69)76-45-37(65)34(62)31(59)25(20-56)72-45/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)",PXGJYJGHNZFNDH,UHFFFAOYSA,N,Calendulaglycoside A,PXGJYJGHNZFNDH-UHFFFAOYSA-N
HMDB34869,1088.503953488,C52H80O24,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(OC7OCC(O)C(O)C7O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C52H80O24/c1-47(2)14-16-52(46(68)76-43-34(61)32(59)31(58)25(19-53)71-43)17-15-50(6)22(23(52)18-47)8-9-27-49(5)12-11-28(48(3,4)26(49)10-13-51(27,50)7)72-44-36(63)37(35(62)38(74-44)40(64)65)73-45(70-21-29(55)56)39(41(66)67)75-42-33(60)30(57)24(54)20-69-42/h8,23-28,30-39,42-45,53-54,57-63H,9-21H2,1-7H3,(H,55,56)(H,64,65)(H,66,67)",SNRZYTINECPXAE,UHFFFAOYSA,N,Betavulgaroside IX,SNRZYTINECPXAE-UHFFFAOYSA-N
HMDB34870,926.451130058,C46H70O19,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C46H70O19/c1-41(2)14-16-46(40(59)65-37-30(52)29(51)28(50)23(19-47)61-37)17-15-44(6)21(22(46)18-41)8-9-25-43(5)12-11-26(42(3,4)24(43)10-13-45(25,44)7)62-38-32(54)33(31(53)34(64-38)35(55)56)63-39(36(57)58)60-20-27(48)49/h8,22-26,28-34,37-39,47,50-54H,9-20H2,1-7H3,(H,48,49)(H,55,56)(H,57,58)",DVEJWYUSLPQXTD,UHFFFAOYSA,N,Spinacoside C,DVEJWYUSLPQXTD-UHFFFAOYSA-N
HMDB34871,764.398306628,C40H60O14,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C40H60O14/c1-35(2)14-16-40(34(49)50)17-15-38(6)20(21(40)18-35)8-9-23-37(5)12-11-24(36(3,4)22(37)10-13-39(23,38)7)52-32-27(44)28(26(43)29(54-32)30(45)46)53-33(31(47)48)51-19-25(41)42/h8,21-24,26-29,32-33,43-44H,9-19H2,1-7H3,(H,41,42)(H,45,46)(H,47,48)(H,49,50)",WEUHEQAOZHTARY,UHFFFAOYSA,N,Spinacoside D,WEUHEQAOZHTARY-UHFFFAOYSA-N
HMDB34872,592.533164808,C40H68N2O,CCCC\C=C/CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2,"InChI=1S/C40H68N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-40(43)41-35-34-37-36-42-39-32-30-29-31-38(37)39/h5-6,29-32,36,42H,2-4,7-28,33-35H2,1H3,(H,41,43)/b6-5-",LXLNMBSRXCWRHE,WAYWQWQTSA,N,Cheritamine,LXLNMBSRXCWRHE-WAYWQWQTSA-N
HMDB34873,395.158016781,C19H25NO8,CCOC(=O)C(CC1=CNC2=CC=CC=C12)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H25NO8/c1-2-26-18(25)13(7-10-8-20-12-6-4-3-5-11(10)12)27-19-17(24)16(23)15(22)14(9-21)28-19/h3-6,8,13-17,19-24H,2,7,9H2,1H3",GWMMTXPUFREJAY,UHFFFAOYSA,N,Ethyl 2-hydroxy-3-(3-indolyl)propanoate glucoside,GWMMTXPUFREJAY-UHFFFAOYSA-N
HMDB34874,348.178417872,C16H28O8,CC1(C)OC2(C)CCC1(O)CC2OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O8/c1-14(2)16(21)5-4-15(3,24-14)9(6-16)23-13-12(20)11(19)10(18)8(7-17)22-13/h8-13,17-21H,4-7H2,1-3H3",KTPRFNBCDRCCJW,UHFFFAOYSA,N,Foeniculoside V,KTPRFNBCDRCCJW-UHFFFAOYSA-N
HMDB34875,824.383050494,C41H60O17,CC12CC(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)C(C)(C1CCC1(C)C2CC=C2C3CC(=C)CCC3(CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)C(O)=O,"InChI=1S/C41H60O17/c1-17-8-11-41(36(54)58-33-28(48)25(45)24(44)21(16-42)55-33)13-12-38(3)18(19(41)14-17)6-7-22-37(2)15-20(43)31(40(5,35(52)53)23(37)9-10-39(22,38)4)57-34-29(49)26(46)27(47)30(56-34)32(50)51/h6,19-31,33-34,42-49H,1,7-16H2,2-5H3,(H,50,51)(H,52,53)",UDJQXYVUQBGNDM,UHFFFAOYSA,N,"(2b,3b)-Dihydroxy-30-nor-12,20(29)-oleanadiene-28-glucopyranosyloxy-23-oic acid 3-glucuronide",UDJQXYVUQBGNDM-UHFFFAOYSA-N
HMDB34876,420.178417872,C22H28O8,CCCCCC1CC2=C(C(O)C(O)(CCCC)CC3=C1C(=O)OC3=O)C(=O)OC2=O,"InChI=1S/C22H28O8/c1-3-5-7-8-12-10-13-16(21(27)29-18(13)24)17(23)22(28,9-6-4-2)11-14-15(12)20(26)30-19(14)25/h12,17,23,28H,3-11H2,1-2H3",RKHYCZRKSYBVGA,UHFFFAOYSA,N,Castaneiolide,RKHYCZRKSYBVGA-UHFFFAOYSA-N
HMDB34877,124.0524295,C7H8O2,CC(=O)C1=C(C)C=CO1,"InChI=1S/C7H8O2/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3",RJBGVAIXGHZIDY,UHFFFAOYSA,N,2-Acetyl-3-methylfuran,RJBGVAIXGHZIDY-UHFFFAOYSA-N
HMDB34878,134.07653576,C6H14OS,CCC(S)C(C)CO,"InChI=1S/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3",HABNNYNSJFKZFE,UHFFFAOYSA,N,3-Mercapto-2-methylpentanol,HABNNYNSJFKZFE-UHFFFAOYSA-N
HMDB34879,308.158351132,C12H24N2O7,NC(CCCCNCC1(O)OC(CO)C(O)C1O)C(O)=O,"InChI=1S/C12H24N2O7/c13-7(11(18)19)3-1-2-4-14-6-12(20)10(17)9(16)8(5-15)21-12/h7-10,14-17,20H,1-6,13H2,(H,18,19)",ZAWLGBRDVQURAK,UHFFFAOYSA,N,1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose,ZAWLGBRDVQURAK-UHFFFAOYSA-N
HMDB34880,170.13067982,C10H18O2,CCCCCC(=O)C(C)C(C)=O,"InChI=1S/C10H18O2/c1-4-5-6-7-10(12)8(2)9(3)11/h8H,4-7H2,1-3H3",BGVBGAIWXAXBLP,UHFFFAOYSA,N,"3-Methyl-2,4-nonanedione",BGVBGAIWXAXBLP-UHFFFAOYSA-N
HMDB34881,288.11100701,C15H16N2O4,OC(=O)CCC1NC(CC2=C1NC1=CC=CC=C21)C(O)=O,"InChI=1S/C15H16N2O4/c18-13(19)6-5-11-14-9(7-12(16-11)15(20)21)8-3-1-2-4-10(8)17-14/h1-4,11-12,16-17H,5-7H2,(H,18,19)(H,20,21)",PPKGNUKJFFAWHY,UHFFFAOYSA,N,"3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid",PPKGNUKJFFAWHY-UHFFFAOYSA-N
HMDB34882,143.040484605,C6H9NOS,CC(=O)C1=CSCCN1,"InChI=1S/C6H9NOS/c1-5(8)6-4-9-3-2-7-6/h4,7H,2-3H2,1H3",YJSKAAVPUSXIPL,UHFFFAOYSA,N,"5-Acetyl-2,3-dihydro-1,4-thiazine",YJSKAAVPUSXIPL-UHFFFAOYSA-N
HMDB34883,125.084063979,C7H11NO,CCC(=O)C1=NCCC1,"InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3",OVNCGQSYSSYBPO,UHFFFAOYSA,N,"3,4-Dihydro-5-propanoyl-2H-pyrrole",OVNCGQSYSSYBPO-UHFFFAOYSA-N
HMDB34884,139.099714043,C8H13NO,CCC(=O)C1=CCCCN1,"InChI=1S/C8H13NO/c1-2-8(10)7-5-3-4-6-9-7/h5,9H,2-4,6H2,1H3",DOGZYNACXGUDFW,UHFFFAOYSA,N,"1,2,3,4-Tetrahydro-6-propanoylpyridine",DOGZYNACXGUDFW-UHFFFAOYSA-N
HMDB34885,274.131742452,C15H18N2O3,CC(C)C1(C)NC(=NC1=O)C1=C(C=CC(C)=C1)C(O)=O,"InChI=1S/C15H18N2O3/c1-8(2)15(4)14(20)16-12(17-15)11-7-9(3)5-6-10(11)13(18)19/h5-8H,1-4H3,(H,18,19)(H,16,17,20)",KFEFNHNXZQYTEW,UHFFFAOYSA,N,Imazamethabenz,KFEFNHNXZQYTEW-UHFFFAOYSA-N
HMDB34886,149.120449485,C10H15N,CCCCCC1=CN=CC=C1,"InChI=1S/C10H15N/c1-2-3-4-6-10-7-5-8-11-9-10/h5,7-9H,2-4,6H2,1H3",WPFPTAWUHHGUDQ,UHFFFAOYSA,N,3-Pentylpyridine,WPFPTAWUHHGUDQ-UHFFFAOYSA-N
HMDB34887,167.058243159,C8H9NO3,OC1CC2C(C=C1)C(=O)NC2=O,"InChI=1S/C8H9NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-2,4-6,10H,3H2,(H,9,11,12)",GNUDNAYOODXBQP,UHFFFAOYSA,N,"3alpha,4,5,7alpha-Tetrahydro-5-hydroxy-1H-isoindole-1,3(2H)-dione",GNUDNAYOODXBQP-UHFFFAOYSA-N
HMDB34888,161.058911861,C8H7N3O,CC(=O)C1=NC=CC2=C1NC=N2,"InChI=1S/C8H7N3O/c1-5(12)7-8-6(2-3-9-7)10-4-11-8/h2-4H,1H3,(H,10,11)",WTOOGKIOBGXDDY,UHFFFAOYSA,N,"4-Acetylimidazo[4,5-c]pyridine",WTOOGKIOBGXDDY-UHFFFAOYSA-N
HMDB34889,167.058243159,C8H9NO3,OC1C=CCC2C1C(=O)NC2=O,"InChI=1S/C8H9NO3/c10-5-3-1-2-4-6(5)8(12)9-7(4)11/h1,3-6,10H,2H2,(H,9,11,12)",MLJWDNXRMUBJJU,UHFFFAOYSA,N,"3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione",MLJWDNXRMUBJJU-UHFFFAOYSA-N
HMDB34890,292.019631282,C10H16N2S4,S=C=NCCCCSSCCCCN=C=S,InChI=1S/C10H16N2S4/c13-9-11-5-1-3-7-15-16-8-4-2-6-12-10-14/h1-8H2,WRUFJWLVOQYPJF,UHFFFAOYSA,N,Bis(4-isothiocyanatobutyl) disulfide,WRUFJWLVOQYPJF-UHFFFAOYSA-N
HMDB34891,134.08439833,C8H10N2,CC1=CN=C(C=C)C(C)=N1,"InChI=1S/C8H10N2/c1-4-8-7(3)10-6(2)5-9-8/h4-5H,1H2,2-3H3",ZUOLEJGELMNGPM,UHFFFAOYSA,N,"3,5-Dimethyl-2-vinylpyrazine",ZUOLEJGELMNGPM-UHFFFAOYSA-N
HMDB34892,148.100048394,C9H12N2,CCC1=NC(C)=CN=C1C=C,"InChI=1S/C9H12N2/c1-4-8-9(5-2)11-7(3)6-10-8/h4,6H,1,5H2,2-3H3",YSQNQOKRWIKETP,UHFFFAOYSA,N,3-Ethyl-5-methyl-2-vinylpyrazine,YSQNQOKRWIKETP-UHFFFAOYSA-N
HMDB34893,149.120449485,C10H15N,CCCCCC1=NC=CC=C1,"InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3",HSDXVAOHEOSTFZ,UHFFFAOYSA,N,2-Pentylpyridine,HSDXVAOHEOSTFZ-UHFFFAOYSA-N
HMDB34894,304.127051004,C12H20N2O7,OCC(O)C(O)CC1=NC(=CN=C1)C(O)C(O)C(O)CO,"InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-13-3-7(14-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2",MBHUNOHYVYVNIP,UHFFFAOYSA,N,"2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine",MBHUNOHYVYVNIP-UHFFFAOYSA-N
HMDB34895,178.954083759,C5H3Cl2NO2,ClC(Cl)=C1CC(=O)NC1=O,"InChI=1S/C5H3Cl2NO2/c6-4(7)2-1-3(9)8-5(2)10/h1H2,(H,8,9,10)",SKOPRFQCOBOZFB,UHFFFAOYSA,N,"3-(Dichloromethylene)-2,5-pyrrolidinedione",SKOPRFQCOBOZFB-UHFFFAOYSA-N
HMDB34896,118.045235632,C5H10OS,CCC(S)C(C)=O,"InChI=1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3",SZECUQRKLXRGSJ,UHFFFAOYSA,N,3-Mercapto-2-pentanone,SZECUQRKLXRGSJ-UHFFFAOYSA-N
HMDB34897,212.915111434,C5H2Cl3NO2,ClC1C(=O)NC(=O)C1=C(Cl)Cl,"InChI=1S/C5H2Cl3NO2/c6-2-1(3(7)8)4(10)9-5(2)11/h2H,(H,9,10,11)",GUWJHDWPNSUUCW,UHFFFAOYSA,N,"3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione",GUWJHDWPNSUUCW-UHFFFAOYSA-N
HMDB34898,246.876139109,C5HCl4NO2,ClC(Cl)=C1C(=O)NC(=O)C1(Cl)Cl,"InChI=1S/C5HCl4NO2/c6-2(7)1-3(11)10-4(12)5(1,8)9/h(H,10,11,12)",QURBORJOJALFAD,UHFFFAOYSA,N,"3,3-Dichloro-4-(dichloromethylene)-2,5-pyrrolidinedione",QURBORJOJALFAD-UHFFFAOYSA-N
HMDB34899,434.19540534,C24H26N4O4,CC(N1C=C(CC(N)C(O)=O)C2=C1C=CC=C2)N1C=C(CC(N)C(O)=O)C2=C1C=CC=C2,"InChI=1S/C24H26N4O4/c1-14(27-12-15(10-19(25)23(29)30)17-6-2-4-8-21(17)27)28-13-16(11-20(26)24(31)32)18-7-3-5-9-22(18)28/h2-9,12-14,19-20H,10-11,25-26H2,1H3,(H,29,30)(H,31,32)",DETVQFQGSVEQBH,UHFFFAOYSA,N,"1,1'-Ethylidenebistryptophan",DETVQFQGSVEQBH-UHFFFAOYSA-N
HMDB34900,164.094963016,C9H12N2O,C\C(N)=C(\N)C1=CC=CC=C1O,"InChI=1S/C9H12N2O/c1-6(10)9(11)7-4-2-3-5-8(7)12/h2-5,12H,10-11H2,1H3/b9-6-",OULZGBBYEVBHQQ,TWGQIWQCSA,N,"2-(1,2-Diamino-1-propenyl)phenol",OULZGBBYEVBHQQ-TWGQIWQCSA-N
HMDB34901,144.006741636,C6H8S2,C=CC1SCC=CS1,"InChI=1S/C6H8S2/c1-2-6-7-4-3-5-8-6/h2-4,6H,1,5H2",XUKBDTUPIIADOP,UHFFFAOYSA,N,"2-Vinyl-4H-1,3-dithiine",XUKBDTUPIIADOP-UHFFFAOYSA-N
HMDB34902,570.4436811,C40H58O2,CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1C(CCC1(C)O)C(C)(C)O,"InChI=1S/C40H58O2/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(39(8,9)41)29-30-40(38,10)42/h11-12,14-19,21-28,37-38,41-42H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+",VDFVQEJGOSCZNZ,HNNISBQLSA,N,"2,6-Cyclolycopene-1,5-diol",VDFVQEJGOSCZNZ-HNNISBQLSA-N
HMDB34903,196.146329884,C12H20O2,CCCCC1OC(=O)C2CCCCC12,"InChI=1S/C12H20O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h9-11H,2-8H2,1H3",TZRMFZSOOVBPPN,UHFFFAOYSA,N,"(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone",TZRMFZSOOVBPPN-UHFFFAOYSA-N
HMDB34906,191.852946446,O4S2Zn,[Zn++].[O-]S(=O)S([O-])=O,"InChI=1S/H2O4S2.Zn/c1-5(2)6(3)4;/h(H,1,2)(H,3,4);/q;+2/p-2",PENRVBJTRIYHOA,UHFFFAOYSA,L,Zinc dithionite,PENRVBJTRIYHOA-UHFFFAOYSA-L
HMDB34909,484.15807636,C22H28O12,CC1=CC2=C(O)C=CC(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)=C2C(O)=C1,"InChI=1S/C22H28O12/c1-8-4-9-10(23)2-3-13(15(9)11(24)5-8)33-22-20(30)18(28)17(27)14(34-22)7-32-21-19(29)16(26)12(25)6-31-21/h2-5,12,14,16-30H,6-7H2,1H3",HONDCAIBTDBEKM,UHFFFAOYSA,N,"7-Methyl-1,4,5-naphthalenetriol 4-[xylosyl-(1->6)-glucoside]",HONDCAIBTDBEKM-UHFFFAOYSA-N
HMDB34910,216.129633962,C10H20N2OS,CC(N)C(=O)NC1C(C)(C)SC1(C)C,"InChI=1S/C10H20N2OS/c1-6(11)7(13)12-8-9(2,3)14-10(8,4)5/h6,8H,11H2,1-5H3,(H,12,13)",VAVRZFPMKSCTDL,UHFFFAOYSA,N,"(R)-2-Amino-N-(2,2,4,4-tetramethyl-3-thietanyl)propanamide",VAVRZFPMKSCTDL-UHFFFAOYSA-N
HMDB34911,218.069142196,C11H10N2O3,OC(=O)CC(=O)NC(C#N)C1=CC=CC=C1,"InChI=1S/C11H10N2O3/c12-7-9(8-4-2-1-3-5-8)13-10(14)6-11(15)16/h1-5,9H,6H2,(H,13,14)(H,15,16)",WMOFHAQITVHGSC,UHFFFAOYSA,N,(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid,WMOFHAQITVHGSC-UHFFFAOYSA-N
HMDB34912,185.080041233,C7H11N3O3,CC(NC1=NC(=O)CN1C)C(O)=O,"InChI=1S/C7H11N3O3/c1-4(6(12)13)8-7-9-5(11)3-10(7)2/h4H,3H2,1-2H3,(H,12,13)(H,8,9,11)",SKIVBBIKOOPRPR,UHFFFAOYSA,N,"(S)-N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine",SKIVBBIKOOPRPR-UHFFFAOYSA-N
HMDB34913,288.147392516,C16H20N2O3,COC(=O)C1=C(C=C(C)C=C1)C1=NC(=O)C(C)(N1)C(C)C,"InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)",FFCCBBNQPIMUJI,UHFFFAOYSA,N,Imazamethabenz-methyl,FFCCBBNQPIMUJI-UHFFFAOYSA-N
HMDB34914,384.120902994,C21H20O7,COC1=CC(OC)=C(OC)C2=C1C(=O)C1=C(O2)C=C2OC(C)(C)C=CC2=C1O,"InChI=1S/C21H20O7/c1-21(2)7-6-10-11(28-21)8-13-15(17(10)22)18(23)16-12(24-3)9-14(25-4)19(26-5)20(16)27-13/h6-9,22H,1-5H3",JWMHGOJQVCHOPS,UHFFFAOYSA,N,Dulxanthone F,JWMHGOJQVCHOPS-UHFFFAOYSA-N
HMDB34915,350.172938564,C19H26O6,CC(=O)OCC12CCC(C)=CC1OC1C(CC2(C)C11CO1)OC(C)=O,"InChI=1S/C19H26O6/c1-11-5-6-18(9-22-12(2)20)15(7-11)25-16-14(24-13(3)21)8-17(18,4)19(16)10-23-19/h7,14-16H,5-6,8-10H2,1-4H3",IGDIDZAQDRAJRB,UHFFFAOYSA,N,Calonectrin,IGDIDZAQDRAJRB-UHFFFAOYSA-N
HMDB34916,152.120115134,C10H16O,CC(C)C12CC1C(C)(O)C=C2,"InChI=1S/C10H16O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h4-5,7-8,11H,6H2,1-3H3",MSEVJTQZWWZGMP,UHFFFAOYSA,N,cis-2-Thujen-4-ol,MSEVJTQZWWZGMP-UHFFFAOYSA-N
HMDB34917,406.178023942,C25H26O5,CC(C)=CCC1=C(O)C2=C(OC(C)(C)C=C2)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O,"InChI=1S/C25H26O5/c1-15(2)5-11-18-22(28)19-13-14-25(3,4)30-24(19)21(23(18)29)20(27)12-8-16-6-9-17(26)10-7-16/h5-10,12-14,26,28-29H,11H2,1-4H3/b12-8+",KRZGSPKDWYNTHE,XYOKQWHBSA,N,Xanthohumol E,KRZGSPKDWYNTHE-XYOKQWHBSA-N
HMDB34918,440.401816286,C31H52O,COC1CCC2(C)C(CCC3(C)C2CCC2(C)C4CC(C)(C)CCC4(C)CC=C32)C1(C)C,"InChI=1S/C31H52O/c1-26(2)18-19-28(5)14-10-22-30(7)15-11-21-27(3,4)25(32-9)13-17-29(21,6)23(30)12-16-31(22,8)24(28)20-26/h10,21,23-25H,11-20H2,1-9H3",MJIBQQFDNJYZGY,UHFFFAOYSA,N,Sawamilletin,MJIBQQFDNJYZGY-UHFFFAOYSA-N
HMDB34919,424.370516158,C30H48O,CC1C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1=C,"InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3",ZYOCVAPRXVCQQR,UHFFFAOYSA,N,Taraxasterone,ZYOCVAPRXVCQQR-UHFFFAOYSA-N
HMDB34920,426.386166222,C30H50O,CC1(C)CCC2(C)CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1,"InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3",GGGUGZHBAOMSFJ,UHFFFAOYSA,N,Taraxerol,GGGUGZHBAOMSFJ-UHFFFAOYSA-N
HMDB34921,150.10446507,C10H14O,CC12C3CC(CC13)C2(C)C=O,"InChI=1S/C10H14O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h5-8H,3-4H2,1-2H3",LALMNAMACHKPDG,UHFFFAOYSA,N,Teresantalal,LALMNAMACHKPDG-UHFFFAOYSA-N
HMDB34922,166.099379692,C10H14O2,CC12C3CC(CC13)C2(C)C(O)=O,"InChI=1S/C10H14O2/c1-9(8(11)12)5-3-6-7(4-5)10(6,9)2/h5-7H,3-4H2,1-2H3,(H,11,12)",QHDPITNBVDSMQH,UHFFFAOYSA,N,alpha-Teresantalic acid,QHDPITNBVDSMQH-UHFFFAOYSA-N
HMDB34923,317.068807845,C19H11NO4,O=C1N2CCC3=CC4=C(OCO4)C4=C3C2=C(C1=O)C1=CC=CC=C41,"InChI=1S/C19H11NO4/c21-17-15-11-4-2-1-3-10(11)14-13-9(7-12-18(14)24-8-23-12)5-6-20(16(13)15)19(17)22/h1-4,7H,5-6,8H2",FMLHJJVSHOCVAU,UHFFFAOYSA,N,Lettowianthine,FMLHJJVSHOCVAU-UHFFFAOYSA-N
HMDB34924,592.506675286,C37H68O5,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H68O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3",BDGWQMLWIGDEKO,UHFFFAOYSA,N,Neoreticulatacin A,BDGWQMLWIGDEKO-UHFFFAOYSA-N
HMDB34925,1104.535253616,C53H84O24,CC1(C)CCC2(O)C(C1)C1=CCC3C4(C)CCC(OC5OC(C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O,"InChI=1S/C53H84O24/c1-48(2)14-15-53(69)22(16-48)21-8-9-27-50(5)12-11-29(49(3,4)26(50)10-13-51(27,6)52(21,7)17-28(53)57)73-47-41(76-45-37(65)34(62)31(59)24(19-55)71-45)38(66)39(42(77-47)43(67)68)74-46-40(35(63)32(60)25(20-56)72-46)75-44-36(64)33(61)30(58)23(18-54)70-44/h8,22-27,29-42,44-47,54-56,58-66,69H,9-20H2,1-7H3,(H,67,68)",KRGPAORQCGZPGJ,UHFFFAOYSA,N,Camellidin II,KRGPAORQCGZPGJ-UHFFFAOYSA-N
HMDB34926,1146.545818302,C55H86O25,CC(=O)OC12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O,"InChI=1S/C55H86O25/c1-22(59)80-55-16-15-50(2,3)17-24(55)23-9-10-29-52(6)13-12-31(51(4,5)28(52)11-14-53(29,7)54(23,8)18-30(55)60)75-49-43(78-47-39(68)36(65)33(62)26(20-57)73-47)40(69)41(44(79-49)45(70)71)76-48-42(37(66)34(63)27(21-58)74-48)77-46-38(67)35(64)32(61)25(19-56)72-46/h9,24-29,31-44,46-49,56-58,61-69H,10-21H2,1-8H3,(H,70,71)",LVPIRHCYMUTMPZ,UHFFFAOYSA,N,Camellidin I,LVPIRHCYMUTMPZ-UHFFFAOYSA-N
HMDB34927,558.319268448,C32H46O8,CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C,"InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+",IXQKXEUSCPEQRD,OUKQBFOZSA,N,Cucurbitacin B,IXQKXEUSCPEQRD-OUKQBFOZSA-N
HMDB34928,136.125200512,C10H16,CC(C)[C@]12C[C@H]1C(=C)CC2,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1",NDVASEGYNIMXJL,UWVGGRQHSA,N,(-)-4(10)-Thujene,NDVASEGYNIMXJL-UWVGGRQHSA-N
HMDB34929,426.386166222,C30H50O,CC(CCC=C(C)C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C,"InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3",DICCPNLDOZNSML,UHFFFAOYSA,N,"3beta-Tirucalla-7,24-dien-3-ol",DICCPNLDOZNSML-UHFFFAOYSA-N
HMDB34930,292.167459256,C17H24O4,CC1C(O)CCC2CC3=C(C(OC(C)=O)C12C)C(C)=CO3,"InChI=1S/C17H24O4/c1-9-8-20-14-7-12-5-6-13(19)10(2)17(12,4)16(15(9)14)21-11(3)18/h8,10,12-13,16,19H,5-7H2,1-4H3",CXZIQFLLAXJLDS,UHFFFAOYSA,N,"(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate",CXZIQFLLAXJLDS-UHFFFAOYSA-N
HMDB34931,516.308703762,C30H44O7,CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O,"InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,23,32,35H,8-14H2,1-7H3,(H,36,37)",DYOKDAQBNHPJFD,UHFFFAOYSA,N,Ganoderic acid A,DYOKDAQBNHPJFD-UHFFFAOYSA-N
HMDB34932,154.135765198,C10H18O,CC1(C)C2CCC(C)(C2)C1O,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3",IAIHUHQCLTYTSF,UHFFFAOYSA,N,Fenchol,IAIHUHQCLTYTSF-UHFFFAOYSA-N
HMDB34933,296.307915902,C20H40O,CCCCCCCC\C=C\CCCCCCCCCCO,"InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h9-10,21H,2-8,11-20H2,1H3/b10-9+",QYOZAXQSDUAPDS,MDZDMXLPSA,N,(Z)-11-Eicosen-1-ol,QYOZAXQSDUAPDS-MDZDMXLPSA-N
HMDB34934,295.105587281,C14H17NO6,OC[C@H]1O[C@@H](O[C@@H](C#N)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",ZKSZEJFBGODIJW,GMDXDWKASA,N,Prunasin,ZKSZEJFBGODIJW-GMDXDWKASA-N
HMDB34935,414.13146768,C22H22O8,COC1=CC(OC)=C(OC)C2=C1C(=O)C1=C(O2)C(OC)=C2OC(C)(C)C=CC2=C1O,"InChI=1S/C22H22O8/c1-22(2)8-7-10-15(23)14-16(24)13-11(25-3)9-12(26-4)18(27-5)19(13)29-20(14)21(28-6)17(10)30-22/h7-9,23H,1-6H3",UGQGBKCQHMQDQW,UHFFFAOYSA,N,Dulxanthone G,UGQGBKCQHMQDQW-UHFFFAOYSA-N
HMDB34936,414.13146768,C22H22O8,COC1=C(OC)C2=C(C(O)=C1)C(=O)C1=C(O2)C(OC)=C2OC(C)(C)C=CC2=C1OC,"InChI=1S/C22H22O8/c1-22(2)8-7-10-16(26-4)14-15(24)13-11(23)9-12(25-3)18(27-5)19(13)29-20(14)21(28-6)17(10)30-22/h7-9,23H,1-6H3",ZDTZJKWWYCZWNK,UHFFFAOYSA,N,Dulxanthone H,ZDTZJKWWYCZWNK-UHFFFAOYSA-N
HMDB34937,334.116486318,C16H18N2O6,OCC1OC(OC2=CC=CC3=C2C(CC#N)=CN3)C(O)C(O)C1O,"InChI=1S/C16H18N2O6/c17-5-4-8-6-18-9-2-1-3-10(12(8)9)23-16-15(22)14(21)13(20)11(7-19)24-16/h1-3,6,11,13-16,18-22H,4,7H2",ZVFUTZQNUQUJLW,UHFFFAOYSA,N,Cappariloside A,ZVFUTZQNUQUJLW-UHFFFAOYSA-N
HMDB34938,496.169309748,C22H28N2O11,OCC1OC(OCC2OC(OC3=CC=CC4=C3C(CC#N)=CN4)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C22H28N2O11/c23-5-4-9-6-24-10-2-1-3-11(14(9)10)33-22-20(31)18(29)16(27)13(35-22)8-32-21-19(30)17(28)15(26)12(7-25)34-21/h1-3,6,12-13,15-22,24-31H,4,7-8H2",YWQNATCXFBWYHU,UHFFFAOYSA,N,Cappariloside B,YWQNATCXFBWYHU-UHFFFAOYSA-N
HMDB34939,204.187800768,C15H24,CC(C)=CCCC1(C)C2CC3C(C2)C13C,"InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3",KWFJIXPIFLVMPM,UHFFFAOYSA,N,alpha-Santalene,KWFJIXPIFLVMPM-UHFFFAOYSA-N
HMDB34940,220.18271539,C15H24O,C\C(CO)=C\CCC1(C)C2CC3C(C2)C13C,"InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-",PDEQKAVEYSOLJX,YHYXMXQVSA,N,alpha-Santal-10-en-12-ol,PDEQKAVEYSOLJX-YHYXMXQVSA-N
HMDB34941,282.146723814,C15H22O5,CC1C2CCC(C)(O)C3=C(C2OC1=O)C(C)(O)CC3O,"InChI=1S/C15H22O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-9,12,16,18-19H,4-6H2,1-3H3",YZKOCDPFUHYTHX,UHFFFAOYSA,N,Artabsinolide D,YZKOCDPFUHYTHX-UHFFFAOYSA-N
HMDB34942,374.121296924,C16H22O10,OCC1OC(OC2OC=C(C3CC=C(CO)C23)C(O)=O)C(O)C(O)C1O,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",ZJDOESGVOWAULF,UHFFFAOYSA,N,Geniposidic acid,ZJDOESGVOWAULF-UHFFFAOYSA-N
HMDB34943,204.187800768,C15H24,CC(CCC=C(C)C)C12CC1C(=C)CC2,"InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,13-14H,3,5,7-10H2,1-2,4H3",DYUSFBWNOCHOFP,UHFFFAOYSA,N,Sesquisabinene,DYUSFBWNOCHOFP-UHFFFAOYSA-N
HMDB34944,346.250794954,C22H34O3,CC(=O)OC1CC2C(C)(CO)CCCC2(C)C2CCC3CC12C=C3C,"InChI=1S/C22H34O3/c1-14-11-22-12-16(14)6-7-17(22)21(4)9-5-8-20(3,13-23)18(21)10-19(22)25-15(2)24/h11,16-19,23H,5-10,12-13H2,1-4H3",OFNWUWHDGCNABD,UHFFFAOYSA,N,Siderol,OFNWUWHDGCNABD-UHFFFAOYSA-N
HMDB34945,804.377965116,C38H60O18,CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3",UEDUENGHJMELGK,UHFFFAOYSA,N,Stevioside,UEDUENGHJMELGK-UHFFFAOYSA-N
HMDB34946,966.430788546,C44H70O23,CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-34(30(55)26(51)20(14-47)62-38)64-36-32(57)28(53)24(49)18(12-45)60-36)23(43)6-10-44(17,16-43)67-39-35(31(56)27(52)21(15-48)63-39)65-37-33(58)29(54)25(50)19(13-46)61-37/h18-39,45-58H,1,4-16H2,2-3H3",RLLCWNUIHGPAJY,UHFFFAOYSA,N,Rebaudioside E,RLLCWNUIHGPAJY-UHFFFAOYSA-N
HMDB34947,950.435873924,C44H70O22,CC1OC(OC2C(OC34CC5(CC3=C)CCC3C(C)(CCCC3(C)C(=O)OC3OC(CO)C(O)C(O)C3O)C5CC4)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3",QSRAJVGDWKFOGU,UHFFFAOYSA,N,Rebaudioside C,QSRAJVGDWKFOGU-UHFFFAOYSA-N
HMDB34948,1128.483611976,C50H80O28,CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3",RPYRMTHVSUWHSV,UHFFFAOYSA,N,Rebaudioside D,RPYRMTHVSUWHSV-UHFFFAOYSA-N
HMDB34949,804.377965116,C38H60O18,CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(O)=O,"InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)",DRSKVOAJKLUMCL,UHFFFAOYSA,N,Rebaudioside B,DRSKVOAJKLUMCL-UHFFFAOYSA-N
HMDB34950,966.430788546,C44H70O23,CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-33(58)30(55)26(51)20(14-47)62-38)23(43)6-10-44(17,16-43)67-39-35(65-37-32(57)29(54)25(50)19(13-46)61-37)34(27(52)21(15-48)63-39)64-36-31(56)28(53)24(49)18(12-45)60-36/h18-39,45-58H,1,4-16H2,2-3H3",HELXLJCILKEWJH,UHFFFAOYSA,N,Rebaudioside A,HELXLJCILKEWJH-UHFFFAOYSA-N
HMDB34951,222.198365454,C15H26O,CC1CCC=C2CCC(CC12C)C(C)(C)O,"InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3",MQWIFDHBNGIVPO,UHFFFAOYSA,N,Valerianol,MQWIFDHBNGIVPO-UHFFFAOYSA-N
HMDB34952,384.266445018,C25H36O3,C\C(CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11-",JQVNCYNADFKYNN,RXCALXPUSA,N,Persicaxanthin,JQVNCYNADFKYNN-RXCALXPUSA-N
HMDB34953,382.250794954,C25H34O3,C\C(C=O)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11-",CAXVJDRXJFKYQP,RXCALXPUSA,N,Apo-12'-violaxanthal,CAXVJDRXJFKYQP-RXCALXPUSA-N
HMDB34954,432.163161738,C19H28O11,OCC1OC(OC2C(O)C(O)C(CO)OC2OCC2=CC=CC=C2)C(O)C(O)C1O,"InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2",WKXRKKUZTXIFJY,UHFFFAOYSA,N,Zizybeoside I,WKXRKKUZTXIFJY-UHFFFAOYSA-N
HMDB34955,594.215985168,C25H38O16,OCC1OC(OC2C(O)C(CO)OC(OCC3=CC=CC=C3)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C25H38O16/c26-6-11-14(29)17(32)19(34)23(37-11)40-21-16(31)13(8-28)39-25(36-9-10-4-2-1-3-5-10)22(21)41-24-20(35)18(33)15(30)12(7-27)38-24/h1-5,11-35H,6-9H2",BEDWWZCYHCGAKV,UHFFFAOYSA,N,Zizybeoside II,BEDWWZCYHCGAKV-UHFFFAOYSA-N
HMDB34956,234.161979948,C15H22O2,CC1CC(=O)C=C(CO)C11CCC(C1)C(C)=C,"InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h7,11-12,16H,1,4-6,8-9H2,2-3H3",JPVDGXUSNAEUIC,UHFFFAOYSA,N,Oxysolavetivone,JPVDGXUSNAEUIC-UHFFFAOYSA-N
HMDB34957,324.266445018,C20H36O3,CC1=C(CCC(C)(O)C(O)CO)C2(C)CCCC(C)(C)C2CC1,"InChI=1S/C20H36O3/c1-14-7-8-16-18(2,3)10-6-11-19(16,4)15(14)9-12-20(5,23)17(22)13-21/h16-17,21-23H,6-13H2,1-5H3",TWZQRBKMQYAKGQ,UHFFFAOYSA,N,"(13R,14R)-8-Labdene-13,14,15-triol",TWZQRBKMQYAKGQ-UHFFFAOYSA-N
HMDB34958,324.266445018,C20H36O3,CC1=CCC2C(C)(C)CCCC2(C)C1CCC(C)(O)C(O)CO,"InChI=1S/C20H36O3/c1-14-7-8-16-18(2,3)10-6-11-19(16,4)15(14)9-12-20(5,23)17(22)13-21/h7,15-17,21-23H,6,8-13H2,1-5H3",WWUAKADIANYYEA,UHFFFAOYSA,N,"(13R,14R)-7-Labdene-13,14,15-triol",WWUAKADIANYYEA-UHFFFAOYSA-N
HMDB34959,192.151415262,C13H20O,CC1CC=C2C(C)(C)CC=CC2(C)O1,"InChI=1S/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,7,9-10H,6,8H2,1-4H3",HUXGOQHTDHIKSS,UHFFFAOYSA,N,Edulan I,HUXGOQHTDHIKSS-UHFFFAOYSA-N
HMDB34960,414.13146768,C22H22O8,CC(COC(C)=O)C1=C(O)C2=C(C(O)=C1O)C1(C)CCC3=C(C)C(=O)OC(=C13)C2=O,"InChI=1S/C22H22O8/c1-8(7-29-10(3)23)12-16(24)13-15(19(27)17(12)25)22(4)6-5-11-9(2)21(28)30-20(14(11)22)18(13)26/h8,24-25,27H,5-7H2,1-4H3",MLTCCXPBXYMUMQ,UHFFFAOYSA,N,Edulone A,MLTCCXPBXYMUMQ-UHFFFAOYSA-N
HMDB34961,456.360345402,C30H48O3,CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O,"InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)",NBSBUIQBEPROBM,UHFFFAOYSA,N,beta-Elemolic acid,NBSBUIQBEPROBM-UHFFFAOYSA-N
HMDB34962,456.360345402,C30H48O3,CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O,"InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,20-22,24-25,31H,8,10,12-18H2,1-7H3,(H,32,33)",CGPBVNAIDFBRJG,UHFFFAOYSA,N,"3alpha-3-Hydroxytirucalla-7,24-dien-21-oic acid",CGPBVNAIDFBRJG-UHFFFAOYSA-N
HMDB34963,454.344695338,C30H46O3,CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O,"InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)",XLPAINGDLCDYQV,UHFFFAOYSA,N,beta-Elemonic acid,XLPAINGDLCDYQV-UHFFFAOYSA-N
HMDB34964,456.360345402,C30H48O3,[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@]1([H])CC3)[C@H](CCC=C(C)C)C(O)=O,"InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1",NBSBUIQBEPROBM,IMJUUJEHSA,N,alpha-Elemolic acid,NBSBUIQBEPROBM-IMJUUJEHSA-N
HMDB34965,214.05646902,C12H10N2S,CN1C=C(C2=NC=CS2)C2=CC=CC=C12,"InChI=1S/C12H10N2S/c1-14-8-10(12-13-6-7-15-12)9-4-2-3-5-11(9)14/h2-8H,1H3",UZRNJZSSOYHALG,UHFFFAOYSA,N,1-Methyl-3-(2-thiazolyl)-1H-indole,UZRNJZSSOYHALG-UHFFFAOYSA-N
HMDB34967,606.485939844,C37H66O6,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCC(=O)CCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-14-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-15-19-24-32(38)23-18-13-11-12-17-22-31-29-30(2)42-37(31)41/h29-30,33-36,39-40H,3-28H2,1-2H3",NZGIKHMTWDNXAF,UHFFFAOYSA,N,cis-Reticulatacin-10-one,NZGIKHMTWDNXAF-UHFFFAOYSA-N
HMDB34968,154.07825032,C12H10,CC#CC#CCC1=CC=CC=C1,"InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,9H2,1H3",WXQYRBLGGSLJHA,UHFFFAOYSA,N,Capillene,WXQYRBLGGSLJHA-UHFFFAOYSA-N
HMDB34969,154.135765198,C10H18O,CC(C)[C@H]1CC[C@H](C)C(=O)C1,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1",GCRTVIUGJCJVDD,IUCAKERBSA,N,(-)-Carvomenthone,GCRTVIUGJCJVDD-IUCAKERBSA-N
HMDB34970,136.125200512,C10H16,[H][C@]1(CC=C(C)C=C1)C(C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1",OGLDWXZKYODSOB,JTQLQIEISA,N,(S)-alpha-Phellandrene,OGLDWXZKYODSOB-JTQLQIEISA-N
HMDB34971,200.104859,C10H16O4,CC(C1CCC(C)C1C(O)=O)C(O)=O,"InChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14)",OIFCPZGZZQQDNO,UHFFFAOYSA,N,"(1R,2R,3S,1'R)-Nepetalinic acid",OIFCPZGZZQQDNO-UHFFFAOYSA-N
HMDB34972,154.135765198,C10H18O,CC(C)[C@@H]1CC[C@H](C)CC1=O,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1",NFLGAXVYCFJBMK,IUCAKERBSA,N,(+)-Isomenthone,NFLGAXVYCFJBMK-IUCAKERBSA-N
HMDB34973,152.120115134,C10H16O,CC1=CCC(CC=O)C1(C)C,"InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3",OGCGGWYLHSJRFY,UHFFFAOYSA,N,(R)-Campholenic aldehyde,OGCGGWYLHSJRFY-UHFFFAOYSA-N
HMDB34974,152.120115134,C10H16O,CC(C)C1CC=C(C)C(=O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3",WPGPCDVQHXOMQP,UHFFFAOYSA,N,(R)-Carvotanacetone,WPGPCDVQHXOMQP-UHFFFAOYSA-N
HMDB34975,152.120115134,C10H16O,CC(C)C1CCC(C)=CC1=O,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3",YSTPAHQEHQSRJD,UHFFFAOYSA,N,Piperitone,YSTPAHQEHQSRJD-UHFFFAOYSA-N
HMDB34976,154.135765198,C10H18O,CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1",DTGKSKDOIYIVQL,QXFUBDJGSA,N,(-)-Borneol,DTGKSKDOIYIVQL-QXFUBDJGSA-N
HMDB34977,602.433510344,C40H58O4,C\C(\C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C\C=C(/C)\C=C/C=C(/C)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11-,17-13-,18-14-,22-21+,24-23+,29-15+,30-16+,31-19-,32-20-",DJOWTWWHMWQATC,CRLQYGKHSA,N,Karpoxanthin,DJOWTWWHMWQATC-CRLQYGKHSA-N
HMDB34978,602.433510344,C40H58O4,C\C(\C=C/C=C(/C)\C=C/C1=C(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C/C=C(\C)/C=C/C1(O)C(C)(C)CC(O)CC1(C)O,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13-,18-14-,22-21-,24-23+,29-15-,30-16+,31-19-,32-20+",DJOWTWWHMWQATC,BXBIEBEISA,N,6-Epikarpoxanthin,DJOWTWWHMWQATC-BXBIEBEISA-N
HMDB34979,192.151415262,C13H20O,CC(=O)\C=C\C1C(=C)CCCC1(C)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+",SFEOKXHPFMOVRM,BQYQJAHWSA,N,gamma-Ionone,SFEOKXHPFMOVRM-BQYQJAHWSA-N
HMDB34980,1240.645197994,C59H100O27,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-52-47(76)42(71)40(69)31(82-52)23-78-50-46(75)41(70)37(66)28(19-60)79-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-53-48(43(72)38(67)29(20-61)80-53)85-54-49(44(73)39(68)30(21-62)81-54)84-51-45(74)36(65)27(64)22-77-51/h10,25-54,60-76H,9,11-23H2,1-8H3",HERICYNRBVMDFO,UHFFFAOYSA,N,Notoginsenoside Fa,HERICYNRBVMDFO-UHFFFAOYSA-N
HMDB34981,295.105587281,C14H17NO6,OC[C@H]1O[C@@H](O[C@H](C#N)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",ZKSZEJFBGODIJW,YOVYLDAJSA,N,Sambunigrin,ZKSZEJFBGODIJW-YOVYLDAJSA-N
HMDB34982,222.198365454,C15H26O,CC(C)C1CCC2(C)CCCC(=C)C2C1O,"InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3",MSJJKJCIFIGTJY,UHFFFAOYSA,N,10-Epijunenol,MSJJKJCIFIGTJY-UHFFFAOYSA-N
HMDB34983,282.146723814,C15H22O5,CC1C(O)CC2C1C1OC(=O)C(O)(CO)C1CCC2=C,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3",OHBHGGYGWZIWCX,UHFFFAOYSA,N,Cynaratriol,OHBHGGYGWZIWCX-UHFFFAOYSA-N
HMDB34984,208.146329884,C13H20O2,CC(=O)\C=C\C12OC1(C)CCCC2(C)C,"InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+",ZTJZJYUGOJYHCU,RMKNXTFCSA,N,"(5R,6S)-5,6-Epoxy-7-megastigmen-9-one",ZTJZJYUGOJYHCU-RMKNXTFCSA-N
HMDB34985,152.120115134,C10H16O,CC1(C)C2CCC(C)(C2)C1=O,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",LHXDLQBQYFFVNW,UHFFFAOYSA,N,(+)-Fenchone,LHXDLQBQYFFVNW-UHFFFAOYSA-N
HMDB34986,426.386166222,C30H50O,CC(C)C1CCC2C1(C)CCC1(C)C3CCC4C(C)(C)C(O)CCC4(C)C3=CCC21C,"InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3",VWYANPOOORUCFJ,UHFFFAOYSA,N,alpha-Fernenol,VWYANPOOORUCFJ-UHFFFAOYSA-N
HMDB34987,332.162373878,C19H24O5,CC12CCC(O)C3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-12(20)5-6-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)",JKQCGVABHHQYKQ,UHFFFAOYSA,N,Gibberellin A61,JKQCGVABHHQYKQ-UHFFFAOYSA-N
HMDB34988,348.1572885,C19H24O6,[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@]3(C)CC[C@H](O)[C@@]21OC3=O,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)6-3-10(17)19-11(20)4-5-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19+/m1/s1",XPVLCCOOMVYREG,VBFWKCISSA,N,Gibberellin A60,XPVLCCOOMVYREG-VBFWKCISSA-N
HMDB34989,330.146723814,C19H22O5,CC12C=CC(O)C3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-12(20)5-6-17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)",FCBQTMYJAQBXSK,UHFFFAOYSA,N,Gibberellin A62,FCBQTMYJAQBXSK-UHFFFAOYSA-N
HMDB34990,194.094294314,C11H14O3,CCC(=O)OCC1=CC=C(OC)C=C1,"InChI=1S/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3",YWIJRJQYADFRTL,UHFFFAOYSA,N,4-Methoxybenzyl propanoate,YWIJRJQYADFRTL-UHFFFAOYSA-N
HMDB34991,208.109944378,C12H16O3,CCCC(=O)OCC1=CC=C(OC)C=C1,"InChI=1S/C12H16O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3",MEPOOZLETHNMSR,UHFFFAOYSA,N,4-Methoxybenzyl butanoate,MEPOOZLETHNMSR-UHFFFAOYSA-N
HMDB34992,256.109944378,C16H16O3,COC1=CC=C(COC(=O)CC2=CC=CC=C2)C=C1,"InChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3",VCYWCSZLXMMLLE,UHFFFAOYSA,N,4-Methoxybenzyl phenylacetate,VCYWCSZLXMMLLE-UHFFFAOYSA-N
HMDB34993,166.062994186,C9H10O3,COC1=CC=C(COC=O)C=C1,"InChI=1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3",XPDORSROGAZEGY,UHFFFAOYSA,N,4-Methoxybenzyl formate,XPDORSROGAZEGY-UHFFFAOYSA-N
HMDB34994,754.486727704,C41H70O12,CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,49)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(37(3,4)26(38)12-17-39(27,40)6)53-36-34(48)32(46)31(45)25(52-36)20-51-35-33(47)30(44)24(43)19-50-35/h10,22-36,42-49H,9,11-20H2,1-8H3",DGSOBIYFLJXVQZ,UHFFFAOYSA,N,Chikusetsusaponin Ia,DGSOBIYFLJXVQZ-UHFFFAOYSA-N
HMDB34995,1078.592374564,C53H90O22,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3",JDCPEKQWFDWQLI,UHFFFAOYSA,N,Ginsenoside Rc,JDCPEKQWFDWQLI-UHFFFAOYSA-N
HMDB34996,1078.592374564,C53H90O22,CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3",NODILNFGTFIURN,UHFFFAOYSA,N,Ginsenoside Rb2,NODILNFGTFIURN-UHFFFAOYSA-N
HMDB34997,204.187800768,C15H24,CC(=C)C1CCC2(C)CCCC(=C)C2C1,"InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3",YOVSPTNQHMDJAG,UHFFFAOYSA,N,beta-Selinene,YOVSPTNQHMDJAG-UHFFFAOYSA-N
HMDB34998,408.160659318,C21H28O6S,CS\C=C\C(=O)OC1CCC(C)C2(C)CC3(C(OC(C)=O)C12)C(=C)COC3=O,"InChI=1S/C21H28O6S/c1-12-6-7-15(27-16(23)8-9-28-5)17-18(26-14(3)22)21(11-20(12,17)4)13(2)10-25-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8+",LWHLMCCRIWZBQO,CMDGGOBGSA,N,Bakkenolide D,LWHLMCCRIWZBQO-CMDGGOBGSA-N
HMDB34999,348.193674006,C20H28O5,C\C=C(/C)C(=O)OC1CCC(C)C2(C)CC3(C(O)C12)C(=C)COC3=O,"InChI=1S/C20H28O5/c1-6-11(2)17(22)25-14-8-7-12(3)19(5)10-20(16(21)15(14)19)13(4)9-24-18(20)23/h6,12,14-16,21H,4,7-10H2,1-3,5H3/b11-6+",KVPXGWXTEOVUGO,IZZDOVSWSA,N,Bakkenolide C,KVPXGWXTEOVUGO-IZZDOVSWSA-N
HMDB35001,434.149616303,C23H27ClO6,CC1=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23O)C(O)=CC(O)=C1Cl,"InChI=1S/C23H27ClO6/c1-11-18(15(26)6-16(27)19(11)24)20(28)30-17-9-22(4)14-8-21(2,3)7-12(14)5-13(10-25)23(17,22)29/h5-6,10,12,14,17,26-27,29H,7-9H2,1-4H3",UHFQTECWVLYLBG,UHFFFAOYSA,N,Melleolide K,UHFQTECWVLYLBG-UHFFFAOYSA-N
HMDB35002,354.146723814,C21H22O5,COC1=C(CC=C(C)C)C(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1,"InChI=1S/C21H22O5/c1-13(2)4-10-16-19(26-3)12-18(24)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",ALGFNVZQNNGHPA,YRNVUSSQSA,N,Xanthogalenol,ALGFNVZQNNGHPA-YRNVUSSQSA-N
HMDB35003,370.141638436,C21H22O6,COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C(CC(O)C(C)=C)C(O)=C1,"InChI=1S/C21H22O6/c1-12(2)17(24)10-15-18(25)11-19(27-3)20(21(15)26)16(23)9-6-13-4-7-14(22)8-5-13/h4-9,11,17,22,24-26H,1,10H2,2-3H3/b9-6+",IIWLGOCXDBSFCM,RMKNXTFCSA,N,Xanthohumol D,IIWLGOCXDBSFCM-RMKNXTFCSA-N
HMDB35004,756.21129372,C33H40O20,OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C(O)C(O)C1O,"InChI=1S/C33H40O20/c34-7-16-21(38)25(42)28(45)31(50-16)20-15(51-33-30(47)27(44)23(40)18(9-36)53-33)6-14-19(24(20)41)12(37)5-13(49-14)10-1-3-11(4-2-10)48-32-29(46)26(43)22(39)17(8-35)52-32/h1-6,16-18,21-23,25-36,38-47H,7-9H2",LJHWZNFWSHGYJS,UHFFFAOYSA,N,"Isovitexin 4',7-diglucoside",LJHWZNFWSHGYJS-UHFFFAOYSA-N
HMDB35005,800.216379098,C38H40O19,COC1=CC(\C=C\C(=O)OCC2OC(OC3=C(C4OC(CO)C(O)C(O)C4O)C(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C38H40O19/c1-51-22-9-15(10-23(52-2)29(22)43)3-8-26(42)53-14-25-31(45)34(48)36(50)38(57-25)56-21-12-20-27(18(41)11-19(54-20)16-4-6-17(40)7-5-16)32(46)28(21)37-35(49)33(47)30(44)24(13-39)55-37/h3-12,24-25,30-31,33-40,43-50H,13-14H2,1-2H3/b8-3+",AGLOWEFNIHNCIZ,FPYGCLRLSA,N,6'''-O-Sinapoylsaponarin,AGLOWEFNIHNCIZ-FPYGCLRLSA-N
HMDB35006,962.269202528,C44H50O24,COC1=CC(\C=C\C(=O)OCC2OC(OC3=C(C4OC(CO)C(O)C(O)C4O)C(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C44H50O24/c1-60-23-9-16(10-24(61-2)31(23)49)3-8-28(48)62-15-27-34(52)38(56)41(59)44(68-27)66-22-12-21-29(35(53)30(22)42-39(57)36(54)32(50)25(13-45)65-42)19(47)11-20(64-21)17-4-6-18(7-5-17)63-43-40(58)37(55)33(51)26(14-46)67-43/h3-12,25-27,32-34,36-46,49-59H,13-15H2,1-2H3/b8-3+",VZEIFXYQETXOPW,FPYGCLRLSA,N,Isovitexin 7-(6'''-sinapoylglucoside) 4'-glucoside,VZEIFXYQETXOPW-FPYGCLRLSA-N
HMDB35007,446.142426296,C19H26O12,OC1COC(OCC2OC(OC(C(O)=O)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C19H26O12/c20-9-6-28-18(14(24)11(9)21)29-7-10-12(22)13(23)15(25)19(30-10)31-16(17(26)27)8-4-2-1-3-5-8/h1-5,9-16,18-25H,6-7H2,(H,26,27)",DUZCTLMSDUOYAW,UHFFFAOYSA,N,Lucuminic acid,DUZCTLMSDUOYAW-UHFFFAOYSA-N
HMDB35008,206.13067982,C13H18O2,CC(C)CCOC(=O)CC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3",QWBQBUWZZBUFHN,UHFFFAOYSA,N,3-Methylbutyl phenylacetate,QWBQBUWZZBUFHN-UHFFFAOYSA-N
HMDB35009,240.115029756,C16H16O2,O=C(CC1=CC=CC=C1)OCCC1=CC=CC=C1,"InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2",ZOZIRNMDEZKZHM,UHFFFAOYSA,N,Phenethyl phenylacetate,ZOZIRNMDEZKZHM-UHFFFAOYSA-N
HMDB35010,192.115029756,C12H16O2,CC(C)COC(=O)CC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",RJASFPFZACBKBE,UHFFFAOYSA,N,2-Methylpropyl phenylacetate,RJASFPFZACBKBE-UHFFFAOYSA-N
HMDB35011,782.481642326,C42H70O13,CC(C(O)C(O)C=C(C)C)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C,"InChI=1S/C42H70O13/c1-20(2)17-25(44)30(45)21(3)22-13-14-42(8)28-11-9-23-24(40(28,6)15-16-41(22,42)7)10-12-29(39(23,4)5)55-38-36(51)34(49)32(47)27(54-38)19-52-37-35(50)33(48)31(46)26(18-43)53-37/h9,17,21-22,24-38,43-51H,10-16,18-19H2,1-8H3",MIVTTWSEHJAYFE,UHFFFAOYSA,N,Momordicoside D,MIVTTWSEHJAYFE-UHFFFAOYSA-N
HMDB35012,800.492207012,C42H72O14,CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C,"InChI=1S/C42H72O14/c1-20(17-24(44)35(51)39(4,5)52)21-13-14-42(8)27-11-9-22-23(40(27,6)15-16-41(21,42)7)10-12-28(38(22,2)3)56-37-34(50)32(48)30(46)26(55-37)19-53-36-33(49)31(47)29(45)25(18-43)54-36/h9,20-21,23-37,43-52H,10-19H2,1-8H3",MKORKSXRXHAVFX,UHFFFAOYSA,N,Momordicoside C,MKORKSXRXHAVFX-UHFFFAOYSA-N
HMDB35013,178.099379692,C11H14O2,CCC(=O)OCCC1=CC=CC=C1,"InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",HVGZQCSMLUDISR,UHFFFAOYSA,N,2-Phenylethyl propanoate,HVGZQCSMLUDISR-UHFFFAOYSA-N
HMDB35014,192.115029756,C12H16O2,CCCC(=O)OCCC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3",WFNDDSQUKATKNX,UHFFFAOYSA,N,2-Phenylethyl butanoate,WFNDDSQUKATKNX-UHFFFAOYSA-N
HMDB35015,192.115029756,C12H16O2,CC(C)C(=O)OCCC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",JDQVBGQWADMTAM,UHFFFAOYSA,N,2-Phenylethyl 2-methylpropanoate,JDQVBGQWADMTAM-UHFFFAOYSA-N
HMDB35016,206.13067982,C13H18O2,CCCCC(=O)OCCC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3",PDGPIBIURNPBSE,UHFFFAOYSA,N,2-Phenylethyl pentanoate,PDGPIBIURNPBSE-UHFFFAOYSA-N
HMDB35017,206.13067982,C13H18O2,CC(C)CC(=O)OCCC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3",JIMGVOCOYZFDKB,UHFFFAOYSA,N,2-Phenylethyl 3-methylbutanoate,JIMGVOCOYZFDKB-UHFFFAOYSA-N
HMDB35018,252.115029756,C17H16O2,O=C(OCCC1=CC=CC=C1)\C=C\C1=CC=CC=C1,"InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+",MJQVZIANGRDJBT,VAWYXSNFSA,N,2-Phenylethyl 3-phenyl-2-propenoate,MJQVZIANGRDJBT-VAWYXSNFSA-N
HMDB35019,242.094294314,C15H14O3,OC1=CC=CC=C1C(=O)OCCC1=CC=CC=C1,"InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2",YNMSDIQQNIRGDP,UHFFFAOYSA,N,Phenethyl salicylate,YNMSDIQQNIRGDP-UHFFFAOYSA-N
HMDB35020,220.18271539,C15H24O,[H][C@]12C(=C)CCC[C@]1(C)CC[C@@H](C(C)C)C2=O,"InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-13H,3,5-9H2,1-2,4H3/t12-,13+,15+/m0/s1",TYQALBNCJWAILN,GZBFAFLISA,N,Acolamone,TYQALBNCJWAILN-GZBFAFLISA-N
HMDB35021,222.198365454,C15H26O,CC1CCC2(O)C1CCC(C)C2C=C(C)C,"InChI=1S/C15H26O/c1-10(2)9-14-11(3)5-6-13-12(4)7-8-15(13,14)16/h9,11-14,16H,5-8H2,1-4H3",QGALFKRHZSPTEG,UHFFFAOYSA,N,(-)-Pacifigorgiol,QGALFKRHZSPTEG-UHFFFAOYSA-N
HMDB35022,295.105587281,C14H17NO6,OC[C@H]1O[C@@H](OC(C#N)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1",ZKSZEJFBGODIJW,MXNNCRBYSA,N,Prulaurasin,ZKSZEJFBGODIJW-MXNNCRBYSA-N
HMDB35023,578.163555668,C27H30O14,COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C=C2O1,"InChI=1S/C27H30O14/c1-36-13-4-2-12(3-5-13)17-8-16(30)20-15(29)6-14(7-18(20)40-17)39-25-23(33)22(32)21(31)19(41-25)9-37-26-24(34)27(35,10-28)11-38-26/h2-8,19,21-26,28-29,31-35H,9-11H2,1H3",FSUVCZVLSOYPAU,UHFFFAOYSA,N,Acacetin 7-[apiosyl(1->6)-glucoside],FSUVCZVLSOYPAU-UHFFFAOYSA-N
HMDB35024,330.255880332,C22H34O2,CC(=O)OCC1(C)CCCC2(C)C3CCC4CC3(CC4=C)CCC12,"InChI=1S/C22H34O2/c1-15-12-22-11-8-18-20(3,14-24-16(2)23)9-5-10-21(18,4)19(22)7-6-17(15)13-22/h17-19H,1,5-14H2,2-4H3",FNLMCLYZRZJKQZ,UHFFFAOYSA,N,ent-16-Kauren-19-ol acetate,FNLMCLYZRZJKQZ-UHFFFAOYSA-N
HMDB35025,332.18350325,C16H28O7,C\C(CO)=C\CC\C(C)=C\COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5-",XZHWSTJFHFQEOY,NYHKZRGGSA,N,6Z-8-Hydroxygeraniol 8-O-glucoside,XZHWSTJFHFQEOY-NYHKZRGGSA-N
HMDB35026,220.18271539,C15H24O,CC(=C)C1CCC2(C)CCC(O)C(C)=C2C1,"InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12,14,16H,1,5-9H2,2-4H3",APWLDLGOYJHNIK,UHFFFAOYSA,N,alpha-Cyperol,APWLDLGOYJHNIK-UHFFFAOYSA-N
HMDB35027,402.204238692,C23H30O6,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3CC(C)(C)CC3C=C(CO)C12O,"InChI=1S/C23H30O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,13,16,18,24-26,28H,8-11H2,1-4H3",PAOHIYZPMWDBLO,UHFFFAOYSA,N,Melleolide F,PAOHIYZPMWDBLO-UHFFFAOYSA-N
HMDB35028,278.172938564,C13H26O6,CCCCCC(C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C13H26O6/c1-3-4-5-6-8(2)18-13-12(17)11(16)10(15)9(7-14)19-13/h8-17H,3-7H2,1-2H3",NZLSMMMVSHTELV,UHFFFAOYSA,N,(x)-2-Heptanol glucoside,NZLSMMMVSHTELV-UHFFFAOYSA-N
HMDB35029,344.125988372,C19H20O6,OCC(=C)C(=O)OC1CC(=C)C2CC(=O)C(=C)C2C2OC(=O)C(=C)C12,"InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2",MSTZNVVCBOEAGA,UHFFFAOYSA,N,Dehydrocyanaropicrin,MSTZNVVCBOEAGA-UHFFFAOYSA-N
HMDB35030,457.158410711,C20H27NO11,OCC1OC(OCC2OC(OC(C#N)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",XUCIJNAGGSZNQT,UHFFFAOYSA,N,Amygdalin,XUCIJNAGGSZNQT-UHFFFAOYSA-N
HMDB35031,454.199153314,C26H30O7,CC1(C)OC2CC(=O)OCC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C=C12)C1=COC=C1,"InChI=1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3",QUTATOGBENCRSS,UHFFFAOYSA,N,Desoxylimonin,QUTATOGBENCRSS-UHFFFAOYSA-N
HMDB35032,236.177630012,C15H24O2,CC1CC(O)CC(C=O)C11CCC(C1)C(C)=C,"InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3",CEVNHRPKRNTGKO,UHFFFAOYSA,N,Epilubimin,CEVNHRPKRNTGKO-UHFFFAOYSA-N
HMDB35033,442.381080844,C30H50O2,CC(=C)C1CCC2(C)CCC3(CO)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12,"InChI=1S/C30H50O2/c1-19(2)20-10-13-27(5)16-17-30(18-31)21(25(20)27)8-9-23-28(6)14-12-24(32)26(3,4)22(28)11-15-29(23,30)7/h20-25,31-32H,1,8-18H2,2-7H3",XHOGEOQSRLNKKB,UHFFFAOYSA,N,"3beta-20(29)-Lupene-3,27-diol",XHOGEOQSRLNKKB-UHFFFAOYSA-N
HMDB35034,458.375995466,C30H50O3,CC(=C)C1CCC2(CO)C1C1CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2O,"InChI=1S/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3",TWKNDDJHVQUEJF,UHFFFAOYSA,N,Heliantriol B2,TWKNDDJHVQUEJF-UHFFFAOYSA-N
HMDB35035,272.104859,C16H16O4,C\C(CCC=O)=C/COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C16H16O4/c1-12(3-2-9-17)8-10-19-14-6-4-13-5-7-16(18)20-15(13)11-14/h4-9,11H,2-3,10H2,1H3/b12-8+",OGCYHMZGMPRXBS,XYOKQWHBSA,N,Marminal,OGCYHMZGMPRXBS-XYOKQWHBSA-N
HMDB35036,556.215591238,C26H36O13,CC1C(O)C2(O)OCC34C2C2(C)C(O)C(=O)C=C(C)C2CC3OC(=O)C(OC2OC(CO)C(O)C(O)C2O)C14,"InChI=1S/C26H36O13/c1-8-4-11(28)20(33)24(3)10(8)5-13-25-7-36-26(35,23(24)25)19(32)9(2)14(25)18(21(34)38-13)39-22-17(31)16(30)15(29)12(6-27)37-22/h4,9-10,12-20,22-23,27,29-33,35H,5-7H2,1-3H3",JHMBJTQGIQFIOP,UHFFFAOYSA,N,Glaucarubolone 15-O-beta-D-glucopyranoside,JHMBJTQGIQFIOP-UHFFFAOYSA-N
HMDB35037,378.13146768,C19H22O8,CC12C3C(C(O)=O)C45CC(O)(C(O)CC4C3(OC1=O)C=CC2O)C(=C)C5O,"InChI=1S/C19H22O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h3-4,8-13,20-22,26H,1,5-6H2,2H3,(H,23,24)",AASAENAURCLYSI,UHFFFAOYSA,N,Gibberellin A32,AASAENAURCLYSI-UHFFFAOYSA-N
HMDB35038,364.152203122,C19H24O7,CC12C3C(C(O)=O)C45CC(CC(O)C4C3(CC(O)C1O)OC2=O)C(=C)C5,"InChI=1S/C19H24O7/c1-7-4-18-5-8(7)3-9(20)12(18)19-6-10(21)14(22)17(2,16(25)26-19)13(19)11(18)15(23)24/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)",FKMJLJSSQHSAEF,UHFFFAOYSA,N,Gibberellin A50,FKMJLJSSQHSAEF-UHFFFAOYSA-N
HMDB35039,526.205026552,C25H34O12,CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(CC(OC3OC(CO)C(O)C(O)C3O)C1O)OC2=O,"InChI=1S/C25H34O12/c1-9-5-23-8-24(9,34)4-3-12(23)25-6-10(35-20-16(29)15(28)14(27)11(7-26)36-20)18(30)22(2,21(33)37-25)17(25)13(23)19(31)32/h10-18,20,26-30,34H,1,3-8H2,2H3,(H,31,32)",RWSSUUKUVKNZLZ,UHFFFAOYSA,N,Phaseolus e,RWSSUUKUVKNZLZ-UHFFFAOYSA-N
HMDB35040,236.177630012,C15H24O2,CC12CCCC(=C)C1CC(O)(CC2)C(=C)CO,"InChI=1S/C15H24O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h13,16-17H,1-2,4-10H2,3H3",SDWGOFYIBUYAQT,UHFFFAOYSA,N,7-Hydroxycostol,SDWGOFYIBUYAQT-UHFFFAOYSA-N
HMDB35041,332.162373878,C19H24O5,CC12CC(O)CC3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)",HHDWSDSMWJQURA,UHFFFAOYSA,N,Gibberellin A51,HHDWSDSMWJQURA-UHFFFAOYSA-N
HMDB35042,332.162373878,C19H24O5,CC12CCCC3(OC1=O)C1CCC4CC1(C(O)C4=C)C(C23)C(O)=O,"InChI=1S/C19H24O5/c1-9-10-4-5-11-18(8-10,14(9)20)12(15(21)22)13-17(2)6-3-7-19(11,13)24-16(17)23/h10-14,20H,1,3-8H2,2H3,(H,21,22)",MBNDVMTZEKAWKP,UHFFFAOYSA,N,Gibberellin A45,MBNDVMTZEKAWKP-UHFFFAOYSA-N
HMDB35043,348.1572885,C19H24O6,CC12C3C(C(O)=O)C45CC(C(O)CC4C3(CCC1O)OC2=O)C(=C)C5,"InChI=1S/C19H24O6/c1-8-6-18-7-9(8)10(20)5-11(18)19-4-3-12(21)17(2,16(24)25-19)14(19)13(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)",VFOHPKBOIYTDJT,UHFFFAOYSA,N,Gibberellin A58,VFOHPKBOIYTDJT-UHFFFAOYSA-N
HMDB35044,348.1572885,C19H24O6,CC12C3C(C(O)=O)C45CC(CCC4C3(CCC1O)OC2=O)C(=C)C5O,"InChI=1S/C19H24O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)",RLZBXKKKLIYURW,UHFFFAOYSA,N,Gibberellin A63,RLZBXKKKLIYURW-UHFFFAOYSA-N
HMDB35045,394.162767808,C20H26O8,CC1(C2C(C(O)=O)C34CC(C(O)CC3C2(CCC1O)C(O)=O)C(=C)C4)C(O)=O,"InChI=1S/C20H26O8/c1-8-6-19-7-9(8)10(21)5-11(19)20(17(27)28)4-3-12(22)18(2,16(25)26)14(20)13(19)15(23)24/h9-14,21-22H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)",LKLDZCIWUDJQCF,UHFFFAOYSA,N,Gibberellin A39,LKLDZCIWUDJQCF-UHFFFAOYSA-N
HMDB35046,394.162767808,C20H26O8,CC1(C2C(C(O)=O)C34CC(CCC3C2(CC(O)C1O)C(O)=O)C(=C)C4)C(O)=O,"InChI=1S/C20H26O8/c1-8-5-19-6-9(8)3-4-11(19)20(17(27)28)7-10(21)14(22)18(2,16(25)26)13(20)12(19)15(23)24/h9-14,21-22H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)",FQTLNSKVFLETSS,UHFFFAOYSA,N,Gibberellin A43,FQTLNSKVFLETSS-UHFFFAOYSA-N
HMDB35047,346.178023942,C20H26O5,CC12C3C(C(O)=O)C45CC(CCC4C3(CCC1O)COC2=O)C(=C)C5,"InChI=1S/C20H26O5/c1-10-7-20-8-11(10)3-4-12(20)19-6-5-13(21)18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23)",QYXZQZMPZUEEML,UHFFFAOYSA,N,Gibberellin A37,QYXZQZMPZUEEML-UHFFFAOYSA-N
HMDB35048,348.1572885,C19H24O6,CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)CC2O)C(=C)C5,"InChI=1S/C19H24O6/c1-8-6-18-7-9(8)3-4-10(18)19-12(21)5-11(20)17(2,16(24)25-19)14(19)13(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)",ZGHAVKULRAPSKM,UHFFFAOYSA,N,Gibberellin A54,ZGHAVKULRAPSKM-UHFFFAOYSA-N
HMDB35049,348.1572885,C19H24O6,CC12CCCC3(OC1=O)C1CCC4(O)CC1(C(O)C4=C)C(C23)C(O)=O,"InChI=1S/C19H24O6/c1-9-13(20)18-8-17(9,24)7-4-10(18)19-6-3-5-16(2,15(23)25-19)12(19)11(18)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",VSDJZJDZDIIVFU,UHFFFAOYSA,N,Gibberellin A67,VSDJZJDZDIIVFU-UHFFFAOYSA-N
HMDB35050,362.136553058,C19H22O7,OC(=O)C1C2C3(CCCC2(C(O)=O)C(=O)O3)C2CCC3(O)CC12CC3=C,"InChI=1S/C19H22O7/c1-9-7-16-8-17(9,25)6-3-10(16)19-5-2-4-18(14(22)23,15(24)26-19)12(19)11(16)13(20)21/h10-12,25H,1-8H2,(H,20,21)(H,22,23)",HILUWRPVFKJTAD,UHFFFAOYSA,N,Gibberellin A21,HILUWRPVFKJTAD-UHFFFAOYSA-N
HMDB35051,360.120902994,C19H20O7,OC(=O)C1C2C3(CC=CC2(C(O)=O)C(=O)O3)C2CCC3(O)CC12CC3=C,"InChI=1S/C19H20O7/c1-9-7-16-8-17(9,25)6-3-10(16)19-5-2-4-18(14(22)23,15(24)26-19)12(19)11(16)13(20)21/h2,4,10-12,25H,1,3,5-8H2,(H,20,21)(H,22,23)",OCSSJFLGODGXOU,UHFFFAOYSA,N,Gibberellin A59,OCSSJFLGODGXOU-UHFFFAOYSA-N
HMDB35052,364.152203122,C19H24O7,CC12C3C(C(O)=O)C45CC(C(O)CC4C3(CC(O)C1O)OC2=O)C(=C)C5,"InChI=1S/C19H24O7/c1-7-4-18-5-8(7)9(20)3-11(18)19-6-10(21)14(22)17(2,16(25)26-19)13(19)12(18)15(23)24/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)",NAGWIYJMYLCZLH,UHFFFAOYSA,N,Gibberellin A49,NAGWIYJMYLCZLH-UHFFFAOYSA-N
HMDB35053,378.167853186,C20H26O7,CC12C3C(C(O)=O)C45CC(CC(O)C4C3(COC1=O)CC(O)C2O)C(=C)C5,"InChI=1S/C20H26O7/c1-8-4-19-5-9(8)3-10(21)13(19)20-6-11(22)15(23)18(2,17(26)27-7-20)14(20)12(19)16(24)25/h9-15,21-23H,1,3-7H2,2H3,(H,24,25)",RERZXVXKJOZXIL,UHFFFAOYSA,N,Gibberellin A52,RERZXVXKJOZXIL-UHFFFAOYSA-N
HMDB35054,152.120115134,C10H16O,CC(=C)[C@@H]1CC[C@](C)(O)C=C1,"InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m0/s1",MKPMHJQMNACGDI,VHSXEESVSA,N,"(1S,4R)-p-Mentha-2,8-dien-1-ol",MKPMHJQMNACGDI-VHSXEESVSA-N
HMDB35055,178.135765198,C12H18O,CC12CC3CCC11CCC2CC1O3,"InChI=1S/C12H18O/c1-11-7-9-3-5-12(11)4-2-8(11)6-10(12)13-9/h8-10H,2-7H2,1H3",VGGSAEFRUODTIJ,UHFFFAOYSA,N,"11-Methyl-7-oxatetracyclo[6.3.1.01,6.04,11]dodecane",VGGSAEFRUODTIJ-UHFFFAOYSA-N
HMDB35056,184.073558872,C9H12O4,COC1=C(O)C=C(C=C1)C(O)CO,"InChI=1S/C9H12O4/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,8,10-12H,5H2,1H3",FBDKAIYPFAFJHV,UHFFFAOYSA,N,"1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediol",FBDKAIYPFAFJHV-UHFFFAOYSA-N
HMDB35057,346.126382302,C15H22O9,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C(C=C1)C(O)CO,"InChI=1S/C15H22O9/c1-22-9-3-2-7(8(18)5-16)4-10(9)23-15-14(21)13(20)12(19)11(6-17)24-15/h2-4,8,11-21H,5-6H2,1H3",CEAVUNYMFVXZKB,UHFFFAOYSA,N,"1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside",CEAVUNYMFVXZKB-UHFFFAOYSA-N
HMDB35059,898.492600942,C46H74O17,CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1,"InChI=1S/C46H74O17/c1-21(2)14-22-15-44(7,55)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,63-22)58-20-45)60-40-36(62-38-33(53)30(50)24(48)17-56-38)35(25(49)18-57-40)61-39-34(54)32(52)31(51)26(16-47)59-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3",DZAMLDNPMAQVFR,UHFFFAOYSA,N,Hovenoside I,DZAMLDNPMAQVFR-UHFFFAOYSA-N
HMDB35060,1030.534859686,C51H82O21,CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1,"InChI=1S/C51H82O21/c1-22(2)14-23-15-49(7,62)41-24-8-9-30-47(5)12-11-31(46(3,4)29(47)10-13-48(30,6)50(24)20-51(41,72-23)66-21-50)68-44-40(71-43-37(61)33(57)26(54)18-64-43)38(27(55)19-65-44)69-45-39(35(59)34(58)28(16-52)67-45)70-42-36(60)32(56)25(53)17-63-42/h14,23-45,52-62H,8-13,15-21H2,1-7H3",QVKNFOCNXKZPMO,UHFFFAOYSA,N,Hovenoside G,QVKNFOCNXKZPMO-UHFFFAOYSA-N
HMDB35062,450.180916431,C24H31ClO6,COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)=C23)C(O)=C1,"InChI=1S/C24H31ClO6/c1-11-18(15(27)6-16(30-5)20(11)25)22(29)31-17-9-24(4)14-8-23(2,3)7-12(14)21(28)13(10-26)19(17)24/h6,12,14,17,21,26-28H,7-10H2,1-5H3",OMAGQTXDHXASNM,UHFFFAOYSA,N,Arnamiol,OMAGQTXDHXASNM-UHFFFAOYSA-N
HMDB35063,166.099379692,C10H14O2,CC1CCC2C1C(=O)OC=C2C,"InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3",ZDKZHVNKFOXMND,UHFFFAOYSA,N,Epinepetalactone,ZDKZHVNKFOXMND-UHFFFAOYSA-N
HMDB35064,352.224974134,C20H32O5,CC(C)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CC(O)C(C)C42)C13C,"InChI=1S/C20H32O5/c1-9(2)11-6-13-16(4)8-19(23)17(11,5)20(13,24)15(25-19)14-10(3)12(21)7-18(14,16)22/h9-15,21-24H,6-8H2,1-5H3",HYKMWLWHCAPOKZ,UHFFFAOYSA,N,Cinncassiol D4,HYKMWLWHCAPOKZ-UHFFFAOYSA-N
HMDB35065,514.277797564,C26H42O10,CC(C)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CC(OC5OC(CO)C(O)C(O)C5O)C(C)C42)C13C,"InChI=1S/C26H42O10/c1-10(2)12-6-15-22(4)9-25(32)23(12,5)26(15,33)20(36-25)16-11(3)13(7-24(16,22)31)34-21-19(30)18(29)17(28)14(8-27)35-21/h10-21,27-33H,6-9H2,1-5H3",ISSKLTGTEWBALZ,UHFFFAOYSA,N,Cinncassiol D4 2-glucoside,ISSKLTGTEWBALZ-UHFFFAOYSA-N
HMDB35066,422.20932407,C26H30O5,COC1=C(CC=C(C)C)C(O)=C(CC=C(C)C)C(O)=C1C(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C26H30O5/c1-16(2)6-13-20-24(29)21(14-7-17(3)4)26(31-5)23(25(20)30)22(28)15-10-18-8-11-19(27)12-9-18/h6-12,15,27,29-30H,13-14H2,1-5H3/b15-10+",HOTYOZVURUOVTK,XNTDXEJSSA,N,"2',4,4'-Trihydroxy-6'-methoxy-3',5'-diprenylchalcone",HOTYOZVURUOVTK-XNTDXEJSSA-N
HMDB35067,450.144530925,C23H27ClO7,CC1=C(C(=O)OC2CC3(C)C4C(CC(C)(C)C4O)C=C(C=O)C23O)C(O)=CC(O)=C1Cl,"InChI=1S/C23H27ClO7/c1-10-16(13(26)6-14(27)18(10)24)20(29)31-15-8-22(4)17-11(7-21(2,3)19(17)28)5-12(9-25)23(15,22)30/h5-6,9,11,15,17,19,26-28,30H,7-8H2,1-4H3",QXPGYRDUXBYJHG,UHFFFAOYSA,N,Melleolide L,QXPGYRDUXBYJHG-UHFFFAOYSA-N
HMDB35068,452.160180989,C23H29ClO7,CC1=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4C=C(CO)C23O)C(O)=CC(O)=C1Cl,"InChI=1S/C23H29ClO7/c1-10-16(13(26)6-14(27)18(10)24)20(29)31-15-8-22(4)17-11(7-21(2,3)19(17)28)5-12(9-25)23(15,22)30/h5-6,11,15,17,19,25-28,30H,7-9H2,1-4H3",PBSFHHQIJGTBQH,UHFFFAOYSA,N,Melleolide M,PBSFHHQIJGTBQH-UHFFFAOYSA-N
HMDB35069,902.269202528,C39H50O24,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C39H50O24/c1-11-21(44)26(49)29(52)36(56-11)55-10-19-24(47)28(51)35(63-38-31(54)33(22(45)12(2)57-38)61-37-30(53)27(50)23(46)18(9-40)59-37)39(60-19)62-34-25(48)20-16(43)7-15(42)8-17(20)58-32(34)13-3-5-14(41)6-4-13/h3-8,11-12,18-19,21-24,26-31,33,35-47,49-54H,9-10H2,1-2H3",WGIYIIVVCUJTAO,UHFFFAOYSA,N,Kaempferol 3-[glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]],WGIYIIVVCUJTAO-UHFFFAOYSA-N
HMDB35070,358.10525293,C19H18O7,COC1=CC2=C(C=C1)C(=O)C1(O)C(COC3=C1C=C(OC)C(OC)=C3)O2,"InChI=1S/C19H18O7/c1-22-10-4-5-11-13(6-10)26-17-9-25-14-8-16(24-3)15(23-2)7-12(14)19(17,21)18(11)20/h4-8,17,21H,9H2,1-3H3",APAWOEBSLLGWDF,UHFFFAOYSA,N,12alpha-Hydroxymunduserone,APAWOEBSLLGWDF-UHFFFAOYSA-N
HMDB35071,206.094294314,C12H14O3,COC1=CC=C(\C=C\COC(C)=O)C=C1,"InChI=1S/C12H14O3/c1-10(13)15-9-3-4-11-5-7-12(14-2)8-6-11/h3-8H,9H2,1-2H3/b4-3+",XQNPFRPIWBMLRN,ONEGZZNKSA,N,Verimol I,XQNPFRPIWBMLRN-ONEGZZNKSA-N
HMDB35072,193.110278729,C11H15NO2,CC(C)COC(=O)C1=CC=CC=C1N,"InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3",ILCLJQFCMRCPNM,UHFFFAOYSA,N,2-Methylpropyl 2-aminobenzoate,ILCLJQFCMRCPNM-UHFFFAOYSA-N
HMDB35073,490.220282686,C26H34O9,CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(OC(=O)C4OC234)C2=COC=C2)C1(C)C(O)CC(O)=O,"InChI=1S/C26H34O9/c1-22(2,32)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)30)6-8-23(3)19(13-7-9-33-12-13)34-21(31)20-26(23,25)35-20/h7,9,12,14-16,19-20,27,32H,6,8,10-11H2,1-5H3,(H,29,30)",OZOFRBKHLATMMU,UHFFFAOYSA,N,Deacetylnomilinic acid,OZOFRBKHLATMMU-UHFFFAOYSA-N
HMDB35074,394.214409448,C25H30O4,COC(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(O)=O,"InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15+",RAFGELQLHMBRHD,IFNPSABLSA,N,beta-Bixin,RAFGELQLHMBRHD-IFNPSABLSA-N
HMDB35075,296.198759384,C17H28O4,CC(=O)O\C1=C(C)\CCC(CC(O)C(=C)CC1)C(C)(C)O,"InChI=1S/C17H28O4/c1-11-7-9-16(21-13(3)18)12(2)6-8-14(10-15(11)19)17(4,5)20/h14-15,19-20H,1,6-10H2,2-5H3/b16-12+",QZYCUDRAMHSVOE,FOWTUZBSSA,N,Tanacetol B,QZYCUDRAMHSVOE-FOWTUZBSSA-N
HMDB35076,200.120115134,C14H16O,CC(C)COC1=CC2=CC=CC=C2C=C1,"InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3",XOHIHZHSDMWWMS,UHFFFAOYSA,N,2-(2-Methylpropoxy)naphthalene,XOHIHZHSDMWWMS-UHFFFAOYSA-N
HMDB35077,152.120115134,C10H16O,CC(=C)[C@@H]1CC[C@@](C)(O)C=C1,"InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m0/s1",MKPMHJQMNACGDI,UWVGGRQHSA,N,"(1R,4R)-p-Mentha-2,8-dien-1-ol",MKPMHJQMNACGDI-UWVGGRQHSA-N
HMDB35078,152.120115135,C10H16O,CC(C)=CCC\C(C)=C\C=O,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+",WTEVQBCEXWBHNA,JXMROGBWSA,N,Geranial,WTEVQBCEXWBHNA-JXMROGBWSA-N
HMDB35079,514.220282686,C28H34O9,CC(=O)OC1CC2C(C)(C)OC3CC(=O)OC2(C3)C2CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1,"InChI=1S/C28H34O9/c1-14(29)33-19-11-18-24(2,3)35-16-10-20(30)36-27(18,12-16)17-6-8-25(4)21(15-7-9-32-13-15)34-23(31)22-28(25,37-22)26(17,19)5/h7,9,13,16-19,21-22H,6,8,10-12H2,1-5H3",MZPMDBUZYDUIEJ,UHFFFAOYSA,N,"(7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide",MZPMDBUZYDUIEJ-UHFFFAOYSA-N
HMDB35080,282.161979948,C19H22O2,CC(C)C1=CC2=C(C(=O)C1=O)C1=C(C=C2)C(C)(C)CCC1,"InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3",FEFAIBOZOKSLJR,UHFFFAOYSA,N,Miltirone,FEFAIBOZOKSLJR-UHFFFAOYSA-N
HMDB35081,218.167065326,C15H22O,CC(C)=C1CCC2(C)CC(=O)C=C(C)C2C1,"InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,14H,5-6,8-9H2,1-4H3",SVQMAXHCMOZBSF,UHFFFAOYSA,N,"(5alpha,10alpha)-3,7(11)-Eudesmadien-2-one",SVQMAXHCMOZBSF-UHFFFAOYSA-N
HMDB35082,218.167065326,C15H22O,CC(=C)C1CCC2(C)CC(=O)C=C(C)C2C1,"InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,12,14H,1,5-6,8-9H2,2-4H3",IVZATFCVCDHOLU,UHFFFAOYSA,N,"(5beta,7beta,10beta)-3,11-Eudesmadien-2-one",IVZATFCVCDHOLU-UHFFFAOYSA-N
HMDB35083,290.26096571,C20H34O,CC(C)=CCC\C(C)=C/CC\C(C)=C/CCC(C)(O)C=C,"InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13-,19-15-",IQDXAJNQKSIPGB,ONPJFLAQSA,N,"(3S,6E,10E)-1,6,10,14-Phytatetraen-3-ol",IQDXAJNQKSIPGB-ONPJFLAQSA-N
HMDB35084,204.187800773,C15H24,[H][C@@]12C=C(C)CCC1=C(C)CC[C@H]2C(C)C,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1",FUCYIEXQVQJBKY,ZFWWWQNUSA,N,"(+)-1(10),4-Cadinadiene",FUCYIEXQVQJBKY-ZFWWWQNUSA-N
HMDB35085,212.141244506,C12H20O3,CC(=O)OC1C(O)C2CCC1(C)C2(C)C,"InChI=1S/C12H20O3/c1-7(13)15-10-9(14)8-5-6-12(10,4)11(8,2)3/h8-10,14H,5-6H2,1-4H3",QRRSWTCVSAQEPQ,UHFFFAOYSA,N,Vulgarole,QRRSWTCVSAQEPQ-UHFFFAOYSA-N
HMDB35086,220.037173366,C11H8O5,COC1=C(C=C2C=CC(=O)OC2=C1)C(O)=O,"InChI=1S/C11H8O5/c1-15-9-5-8-6(2-3-10(12)16-8)4-7(9)11(13)14/h2-5H,1H3,(H,13,14)",GQYZDAIERJIQDI,UHFFFAOYSA,N,Buntansin A,GQYZDAIERJIQDI-UHFFFAOYSA-N
HMDB35087,136.125200512,C10H16,CC1=CC[C@H]2[C@@H](C1)C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1",BQOFWKZOCNGFEC,DTWKUNHWSA,N,(-)-alpha-Carene,BQOFWKZOCNGFEC-DTWKUNHWSA-N
HMDB35088,156.02450019,C7H8O2S,CC(=O)SCC1=CC=CO1,"InChI=1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3",LQOUTUIIYXYBQW,UHFFFAOYSA,N,Furfuryl thioacetate,LQOUTUIIYXYBQW-UHFFFAOYSA-N
HMDB35089,150.10446507,C10H14O,CC(=C)[C@@H]1CC=C(C)C(=O)C1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1",ULDHMXUKGWMISQ,SECBINFHSA,N,(R)-Carvone,ULDHMXUKGWMISQ-SECBINFHSA-N
HMDB35090,454.344695338,C30H46O3,CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24-25,31H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10+",HUTCYUJPLOTDMX,KEBDBYFISA,N,Ganoderic acid Y,HUTCYUJPLOTDMX-KEBDBYFISA-N
HMDB35091,432.302830524,C30H40O2,C\C(C=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C,"InChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+",AVPAEFHIEZLSLZ,STNACPSUSA,N,beta-Citraurin,AVPAEFHIEZLSLZ-STNACPSUSA-N
HMDB35092,152.120115135,C10H16O,CC(C)=CCC\C(C)=C\C=O,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+",WTEVQBCEXWBHNA,JXMROGBWSA,N,cis-Citral,WTEVQBCEXWBHNA-JXMROGBWSA-N
HMDB35093,156.151415262,C10H20O,C[C@@H](CCO)CCC=C(C)C,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1",QMVPMAAFGQKVCJ,SNVBAGLBSA,N,D-Citronellol,QMVPMAAFGQKVCJ-SNVBAGLBSA-N
HMDB35094,156.151415262,C10H20O,C[C@@H](CCO)CCC=C(C)C,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1",QMVPMAAFGQKVCJ,SNVBAGLBSA,N,L-Citronellol,QMVPMAAFGQKVCJ-SNVBAGLBSA-N
HMDB35095,204.07864425,C12H12O3,CCOC1=CC2=C(C=C1)C(C)=CC(=O)O2,"InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3",NKRISXMDKXBVRJ,UHFFFAOYSA,N,7-Ethoxy-4-methyl-2H-1-benzopyran-2-one,NKRISXMDKXBVRJ-UHFFFAOYSA-N
HMDB35096,514.277797564,C26H42O10,CC1(CCCC2(C)C1CCC13CC(CCC21O)C(O)(CO)C3)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C26H42O10/c1-22(21(32)36-20-19(31)18(30)17(29)15(11-27)35-20)6-3-7-23(2)16(22)5-8-24-10-14(4-9-26(23,24)34)25(33,12-24)13-28/h14-20,27-31,33-34H,3-13H2,1-2H3",VEZJUFUSLIUNOY,UHFFFAOYSA,N,Cofaryloside,VEZJUFUSLIUNOY-UHFFFAOYSA-N
HMDB35097,220.18271539,C15H24O,CC12CCCC(=C)C1CC(CC2)C(=C)CO,"InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h13-14,16H,1-2,4-10H2,3H3",FKWGZOFNSIESOX,UHFFFAOYSA,N,beta-Costol,FKWGZOFNSIESOX-UHFFFAOYSA-N
HMDB35098,328.167459256,C20H24O4,C\C(\C=C\C=C(/C)C(O)=O)=C\C=C\C=C(/C)\C=C\C=C(\C)C(O)=O,"InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9-,16-10+,17-13+,18-14-",PANKHBYNKQNAHN,AWVVJTJESA,N,(all-E)-Crocetin,PANKHBYNKQNAHN-AWVVJTJESA-N
HMDB35099,356.198759384,C22H28O4,COC(=O)C(\C)=C/C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC,"InChI=1S/C22H28O4/c1-17(13-9-15-19(3)21(23)25-5)11-7-8-12-18(2)14-10-16-20(4)22(24)26-6/h7-16H,1-6H3/b8-7+,13-9+,14-10+,17-11-,18-12+,19-15+,20-16-",OXNHRKGZZFWUQZ,KYBHHSLLSA,N,gamma-Crocetin,OXNHRKGZZFWUQZ-KYBHHSLLSA-N
HMDB35100,152.120115135,C10H16O,CC1(C)C2CC1C(CO)=CC2,"InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3",RXBQNMWIQKOSCS,UHFFFAOYSA,N,2-Pinen-10-ol,RXBQNMWIQKOSCS-UHFFFAOYSA-N
HMDB35101,659.439717933,C38H61NO8,CC(=O)NC1C(O)C(O)C(CO)OC1OC1CCC2(C)C(CCC3C(C)=CCC(C(C)=C)C3(C)CCC(O)=O)C(=C)CCC2C1(C)C,"InChI=1S/C38H61NO8/c1-21(2)25-12-10-22(3)26(37(25,8)19-17-31(42)43)13-14-27-23(4)11-15-29-36(6,7)30(16-18-38(27,29)9)47-35-32(39-24(5)41)34(45)33(44)28(20-40)46-35/h10,25-30,32-35,40,44-45H,1,4,11-20H2,2-3,5-9H3,(H,39,41)(H,42,43)",DPUBTAIUQYXFDA,UHFFFAOYSA,N,Lansioside A,DPUBTAIUQYXFDA-UHFFFAOYSA-N
HMDB35102,618.413168832,C36H58O8,CC(=C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(CCC23C)OC2OC(CO)C(O)C(O)C2O)C1(C)CCC(O)=O,"InChI=1S/C36H58O8/c1-20(2)23-11-9-21(3)24(35(23,7)18-16-29(38)39)12-13-25-22(4)10-14-27-34(5,6)28(15-17-36(25,27)8)44-33-32(42)31(41)30(40)26(19-37)43-33/h9,23-28,30-33,37,40-42H,1,4,10-19H2,2-3,5-8H3,(H,38,39)",LESZSAQXPRFCAF,UHFFFAOYSA,N,Lansioside B,LESZSAQXPRFCAF-UHFFFAOYSA-N
HMDB35103,588.402604146,C35H56O7,CC(=C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(CCC23C)OC2OCC(O)C(O)C2O)C1(C)CCC(O)=O,"InChI=1S/C35H56O7/c1-20(2)23-11-9-21(3)24(34(23,7)18-16-29(37)38)12-13-25-22(4)10-14-27-33(5,6)28(15-17-35(25,27)8)42-32-31(40)30(39)26(36)19-41-32/h9,23-28,30-32,36,39-40H,1,4,10-19H2,2-3,5-8H3,(H,37,38)",ILGQYZQREAJTIJ,UHFFFAOYSA,N,Lansioside C,ILGQYZQREAJTIJ-UHFFFAOYSA-N
HMDB35104,366.167853186,C19H26O7,CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C11CO1,"InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3",AUGQEEXBDZWUJY,UHFFFAOYSA,N,Diacetoxyscirpenol,AUGQEEXBDZWUJY-UHFFFAOYSA-N
HMDB35106,472.355260024,C30H48O4,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1(C)O)C(O)=O,"InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)",ZZTYPLSBNNGEIS,UHFFFAOYSA,N,Pomolic acid,ZZTYPLSBNNGEIS-UHFFFAOYSA-N
HMDB35107,472.355260024,C30H48O4,CC1C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CCC1(C)O)C(O)=O,"InChI=1S/C30H48O4/c1-18-23-19-8-9-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,6)27(19,5)14-16-30(23,24(32)33)17-15-29(18,7)34/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)",URJPXMKINYSFCX,UHFFFAOYSA,N,20beta-Hydroxyursolic acid,URJPXMKINYSFCX-UHFFFAOYSA-N
HMDB35108,376.152203122,C20H24O7,COC(=O)C1CC(O)CC2C1C1CC3(OC(CC23C)C2=COC=C2)C(=O)O1,"InChI=1S/C20H24O7/c1-19-7-14(10-3-4-25-9-10)27-20(19)8-15(26-18(20)23)16-12(17(22)24-2)5-11(21)6-13(16)19/h3-4,9,11-16,21H,5-8H2,1-2H3",OPNWTAMLIMDKEY,UHFFFAOYSA,N,Diosbulbin A,OPNWTAMLIMDKEY-UHFFFAOYSA-N
HMDB35109,344.125988372,C19H20O6,CC12CC(OC(=O)C1CC(=O)C1C3CC(CC21)OC3=O)C1=COC=C1,"InChI=1S/C19H20O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14(20)16-11-4-10(5-12(16)19)24-17(11)21/h2-3,8,10-13,15-16H,4-7H2,1H3",FJCWYLRNGKSUCH,UHFFFAOYSA,N,Diosbulbin D,FJCWYLRNGKSUCH-UHFFFAOYSA-N
HMDB35110,388.152203122,C21H24O7,CC(=O)OC1CC2C(=O)OC(CC2(C)C2CC3CC(C12)C(=O)O3)C1=COC=C1,"InChI=1S/C21H24O7/c1-10(22)26-16-7-15-20(24)28-17(11-3-4-25-9-11)8-21(15,2)14-6-12-5-13(18(14)16)19(23)27-12/h3-4,9,12-18H,5-8H2,1-2H3",DYSOIAQEKRDXRB,UHFFFAOYSA,N,8-Epidiosbulbin E acetate,DYSOIAQEKRDXRB-UHFFFAOYSA-N
HMDB35111,442.381080844,C30H50O2,CC12CCC(C1CCC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CCC12C)C(=C)CO,"InChI=1S/C30H50O2/c1-19(18-31)20-10-14-27(4)21(20)11-16-29(6)23(27)8-9-24-28(5)15-13-25(32)26(2,3)22(28)12-17-30(24,29)7/h20-25,31-32H,1,8-18H2,2-7H3",SUMUIPKPDFCHLW,UHFFFAOYSA,N,"(3beta,21alphaH)-22(30)-Hopene-3,29-diol",SUMUIPKPDFCHLW-UHFFFAOYSA-N
HMDB35112,472.318874518,C29H44O5,CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)O1,"InChI=1S/C29H44O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,21-23,30,32H,7-16H2,1-6H3",HJQFQTJAYYPCLS,UHFFFAOYSA,N,"(3beta,17alpha,23R)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-ene-15,24-dione",HJQFQTJAYYPCLS-UHFFFAOYSA-N
HMDB35113,470.303224454,C29H42O5,CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(=O)C(C)(CO)C2CC4)O1,"InChI=1S/C29H42O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,21-22,30H,7-16H2,1-6H3",DVXXYXKKUSGEIB,UHFFFAOYSA,N,"17,23-Epoxy-29-hydroxy-27-norlanost-8-ene-3,15,24-trione",DVXXYXKKUSGEIB-UHFFFAOYSA-N
HMDB35115,274.095356946,C14H14N2O4,CC1(NC(CC2=C1NC1=CC=CC=C21)C(O)=O)C(O)=O,"InChI=1S/C14H14N2O4/c1-14(13(19)20)11-8(6-10(16-14)12(17)18)7-4-2-3-5-9(7)15-11/h2-5,10,15-16H,6H2,1H3,(H,17,18)(H,19,20)",ZKGAKYZRRFOFGK,UHFFFAOYSA,N,"(1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid",ZKGAKYZRRFOFGK-UHFFFAOYSA-N
HMDB35116,318.219494826,C20H30O3,CC1(CCC2C(=C1)C(O)CC1C2(C)CCCC1(C)C(O)=O)C=C,"InChI=1S/C20H30O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14-16,21H,1,6-11H2,2-4H3,(H,22,23)",PLKOJNUQWAKPNC,UHFFFAOYSA,N,"(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid",PLKOJNUQWAKPNC-UHFFFAOYSA-N
HMDB35117,250.15689457,C15H22O3,CC1C(O)CCC2CC3=C(C(O)C12C)C(C)=CO3,"InChI=1S/C15H22O3/c1-8-7-18-12-6-10-4-5-11(16)9(2)15(10,3)14(17)13(8)12/h7,9-11,14,16-17H,4-6H2,1-3H3",JWKRZHJQYDUUNQ,UHFFFAOYSA,N,"(3beta,6beta)-Furanoeremophilane-3,6-diol",JWKRZHJQYDUUNQ-UHFFFAOYSA-N
HMDB35118,488.350174646,C30H48O5,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5C(O)CC34C)C2C1C)C(O)=O,"InChI=1S/C30H48O5/c1-16-10-11-30(25(34)35)13-12-28(6)18(22(30)17(16)2)8-9-21-27(5)14-20(32)24(33)26(3,4)23(27)19(31)15-29(21,28)7/h8,16-17,19-24,31-33H,9-15H2,1-7H3,(H,34,35)",WRACWYWAPQQRKC,UHFFFAOYSA,N,Madasiatic acid,WRACWYWAPQQRKC-UHFFFAOYSA-N
HMDB35119,456.360345402,C30H48O3,CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+",CYHOTEDWAOHQLA,AWQFTUOYSA,N,Isomangiferolic acid,CYHOTEDWAOHQLA-AWQFTUOYSA-N
HMDB35120,152.120115134,C10H16O,CC(=C)\C=C/CC(C)(O)C=C,"InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6-",ZJIQIJIQBTVTDY,SREVYHEPSA,N,Dehydrolinalool,ZJIQIJIQBTVTDY-SREVYHEPSA-N
HMDB35121,616.449160408,C41H60O4,COC1=C(O)C=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCC(=C)C(C)C)=C1,"InChI=1S/C41H60O4/c1-26(2)27(3)10-11-28(4)30-18-20-39(8)34-16-15-33-37(5,6)35(19-21-40(33)25-41(34,40)23-22-38(30,39)7)45-36(43)17-13-29-12-14-31(42)32(24-29)44-9/h12-14,17,24,26,28,30,33-35,42H,3,10-11,15-16,18-23,25H2,1-2,4-9H3/b17-13+",JBSUVXVGZSMGDJ,GHRIWEEISA,N,Oryzanol C,JBSUVXVGZSMGDJ-GHRIWEEISA-N
HMDB35122,170.13067982,C10H18O2,C\C(C=C)=C/CC(O)C(C)(C)O,"InChI=1S/C10H18O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5-6,9,11-12H,1,7H2,2-4H3/b8-6+",BTHAWHOTHGQIKC,SOFGYWHQSA,N,"(S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol",BTHAWHOTHGQIKC-SOFGYWHQSA-N
HMDB35123,426.386166222,C30H50O,CC(=C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CCC12C,"InChI=1S/C30H50O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-25,31H,1,9-18H2,2-8H3",LFPVZIIPFONRSW,UHFFFAOYSA,N,3-Epimoretenol,LFPVZIIPFONRSW-UHFFFAOYSA-N
HMDB35124,424.370516158,C30H48O,CC(=C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(=O)C(C)(C)C3CCC12C,"InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-24H,1,9-18H2,2-8H3",VEVKLOLYYQLRRV,UHFFFAOYSA,N,Moretenone,VEVKLOLYYQLRRV-UHFFFAOYSA-N
HMDB35125,152.120115134,C10H16O,CC1(C)[C@H]2C[C@@H]1C(CO)=CC2,"InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m1/s1",RXBQNMWIQKOSCS,RKDXNWHRSA,N,Darwinol,RXBQNMWIQKOSCS-RKDXNWHRSA-N
HMDB35126,194.13067982,C12H18O2,CC(=O)OCC1=CCC2CC1C2(C)C,"InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3",BKATZVAUANSCKN,UHFFFAOYSA,N,(±)-Myrtenyl acetate,BKATZVAUANSCKN-UHFFFAOYSA-N
HMDB35127,236.177630012,C15H24O2,CC(C)CC(=O)OCC1=CCC2CC1C2(C)C,"InChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-11-5-6-12-8-13(11)15(12,3)4/h5,10,12-13H,6-9H2,1-4H3",TVGPYTOYKLZBPA,UHFFFAOYSA,N,(-)-Myrtenyl isovalerate,TVGPYTOYKLZBPA-UHFFFAOYSA-N
HMDB35128,426.386166222,C30H50O,[H][C@@]12CC[C@@]3([H])C(C)(C)C(O)CC[C@]3(C)C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCC=C(C)C,"InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,15,21-22,24-26,31H,9,11-14,16-19H2,1-8H3/t21-,22-,24-,25+,26?,28-,29-,30+/m1/s1",MLVSYGCURCOSKP,LFXYTPDNSA,N,Parkeol,MLVSYGCURCOSKP-LFXYTPDNSA-N
HMDB35129,352.13107375,C21H20O5,COC1=C2C=CC(C)(C)OC2=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1,"InChI=1S/C21H20O5/c1-21(2)11-10-15-18(25-3)12-17(24)19(20(15)26-21)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+",RPGWAGOTDRYEAD,RMKNXTFCSA,N,Citrunobin,RPGWAGOTDRYEAD-RMKNXTFCSA-N
HMDB35130,346.214409448,C21H30O4,COC(=O)C1(C)CCCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12,"InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3",WTKBZJAWPZXKJU,UHFFFAOYSA,N,Pinusolide,WTKBZJAWPZXKJU-UHFFFAOYSA-N
HMDB35131,248.141244506,C15H20O3,CC1=CC2=C(C=C1O)C(CC(O)C(C)(C)O2)C=C,"InChI=1S/C15H20O3/c1-5-10-7-14(17)15(3,4)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3",DYXGWEYZDXILMS,UHFFFAOYSA,N,Heliannuol C,DYXGWEYZDXILMS-UHFFFAOYSA-N
HMDB35132,248.141244506,C15H20O3,CC1C=CC(OC2=C1C=C(O)C(C)=C2)C(C)(C)O,"InChI=1S/C15H20O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h5-9,14,16-17H,1-4H3",WYQLDPBFXNVPJE,UHFFFAOYSA,N,Heliannuol B,WYQLDPBFXNVPJE-UHFFFAOYSA-N
HMDB35133,204.136159128,C10H20O4,C\C(=C/CC(O)C(C)(C)O)C(O)CO,"InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h4,8-9,11-14H,5-6H2,1-3H3/b7-4+",QJGNMNVVLILWRD,QPJJXVBHSA,N,"3,7-Dimethyl-3-octene-1,2,6,7-tetrol",QJGNMNVVLILWRD-QPJJXVBHSA-N
HMDB35134,448.165266367,C24H29ClO6,COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23O)C(O)=C1,"InChI=1S/C24H29ClO6/c1-12-19(16(27)7-17(30-5)20(12)25)21(28)31-18-10-23(4)15-9-22(2,3)8-13(15)6-14(11-26)24(18,23)29/h6-7,11,13,15,18,27,29H,8-10H2,1-5H3",QETHRCCHQRWBIJ,UHFFFAOYSA,N,Armillaridin,QETHRCCHQRWBIJ-UHFFFAOYSA-N
HMDB35135,154.099379692,C9H14O2,CC(C)=CC\C=C(/C)C(O)=O,"InChI=1S/C9H14O2/c1-7(2)5-4-6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H,10,11)/b8-6+",IGQGIACCENRGLM,SOFGYWHQSA,N,"(E)-2,6-Dimethyl-2,5-heptadienoic acid",IGQGIACCENRGLM-SOFGYWHQSA-N
HMDB35136,316.152203122,C15H24O7,CC(C)=CC\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C15H24O7/c1-8(2)5-4-6-9(3)14(20)22-15-13(19)12(18)11(17)10(7-16)21-15/h5-6,10-13,15-19H,4,7H2,1-3H3/b9-6+",BHPXBBXWEPCSOK,RMKNXTFCSA,N,"Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate",BHPXBBXWEPCSOK-RMKNXTFCSA-N
HMDB35137,250.15689457,C15H22O3,CC1CCC(OC2=C1C=C(O)C(C)=C2)C(C)(C)O,"InChI=1S/C15H22O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3",BIIJJHXLFCDTIZ,UHFFFAOYSA,N,Heliannuol D,BIIJJHXLFCDTIZ-UHFFFAOYSA-N
HMDB35138,552.433116414,C40H56O,CC(C)=CCC\C(C)=C/C=C/C(/C)=C/C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C=C(/C)CCC1OC1(C)C,"InChI=1S/C40H56O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14-20,22-29,39H,13,21,30-31H2,1-10H3/b12-11+,22-14-,23-15+,27-16+,28-17+,33-19+,34-20+,35-24-,36-25+,37-26-,38-29-",GTXHICADEVOUIY,WUEAKHORSA,N,"1,2-Epoxy-1,2-dihydrolycopene",GTXHICADEVOUIY-WUEAKHORSA-N
HMDB35139,552.433116414,C40H56O,CC(C)=CCC\C(C)=C/C=C/C(/C)=C/C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1OC1(C)CCC=C(C)C,"InChI=1S/C40H56O/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39-40(10,41-39)31-17-19-33(3)4/h11-12,14-16,18-21,23-30,39H,13,17,22,31H2,1-10H3/b12-11+,23-14-,24-16+,27-15+,30-29+,34-20+,35-21+,36-25-,37-26+,38-28-",KAOPTJGOSUTKJR,CUEHAKLQSA,N,"5,6-Epoxy-5,6-dihydrolycopene",KAOPTJGOSUTKJR-CUEHAKLQSA-N
HMDB35140,264.136159128,C15H20O4,OC(=O)\C=C(/C)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+/t15-/m1/s1",JLIDBLDQVAYHNE,IBPUIESWSA,N,(S)-Abscisic acid,JLIDBLDQVAYHNE-IBPUIESWSA-N
HMDB35141,140.15650064,C10H20,CC(C)C1CCC(C)C1C,"InChI=1S/C10H20/c1-7(2)10-6-5-8(3)9(10)4/h7-10H,5-6H2,1-4H3",MKEWIKKSNRXXFU,UHFFFAOYSA,N,"1-Isopropyl-2,3-dimethylcyclopentane",MKEWIKKSNRXXFU-UHFFFAOYSA-N
HMDB35142,458.33960996,C29H46O4,CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)O1,"InChI=1S/C29H46O4/c1-7-21(31)22-16-18(2)29(33-22)15-14-27(5)20-8-9-23-25(3,19(20)10-13-28(27,29)6)12-11-24(32)26(23,4)17-30/h18,22-24,30,32H,7-17H2,1-6H3",WKRCCXBCFBIWPN,UHFFFAOYSA,N,"(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one",WKRCCXBCFBIWPN-UHFFFAOYSA-N
HMDB35143,100.0524295,C5H8O2,CC1CCOC1=O,"InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3",QGLBZNZGBLRJGS,UHFFFAOYSA,N,Dihydro-3-methyl-2(3H)-furanone,QGLBZNZGBLRJGS-UHFFFAOYSA-N
HMDB35144,474.334524582,C29H46O5,CCC(O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)O1,"InChI=1S/C29H46O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,20-23,30-32H,7-16H2,1-6H3",FGFZDTLKZFGANR,UHFFFAOYSA,N,"(3beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one",FGFZDTLKZFGANR-UHFFFAOYSA-N
HMDB35145,232.019414812,C12H8O3S,OC1=CC=CC2=C1C(=O)OC2C1=CC=CS1,"InChI=1S/C12H8O3S/c13-8-4-1-3-7-10(8)12(14)15-11(7)9-5-2-6-16-9/h1-6,11,13H",CLGIBOHWUJNNKL,UHFFFAOYSA,N,Chrycolide,CLGIBOHWUJNNKL-UHFFFAOYSA-N
HMDB35146,204.187800768,C15H24,CC1CCCC2=CCC3C(C3(C)C)C12C,"InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h8,10,12-13H,5-7,9H2,1-4H3",FOBXOZMHEKILEY,UHFFFAOYSA,N,Aristolene,FOBXOZMHEKILEY-UHFFFAOYSA-N
HMDB35147,236.177630012,C15H24O2,CC1CC(O)CC2C(=O)CC(CC12C)C(C)=C,"InChI=1S/C15H24O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h10-13,16H,1,5-8H2,2-4H3",MZPGODIAQREELD,UHFFFAOYSA,N,Rishitinone,MZPGODIAQREELD-UHFFFAOYSA-N
HMDB35148,250.15689457,C15H22O3,CC1CCCC2CC3OC(=O)C(C)=C3C(O)C12C,"InChI=1S/C15H22O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h8,10-11,13,16H,4-7H2,1-3H3",YDCNBSJHGGIZNP,UHFFFAOYSA,N,"(6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide",YDCNBSJHGGIZNP-UHFFFAOYSA-N
HMDB35149,220.055800318,C12H12O2S,O=C1CC2OCCCC2=C1C1=CC=CS1,"InChI=1S/C12H12O2S/c13-9-7-10-8(3-1-5-14-10)12(9)11-4-2-6-15-11/h2,4,6,10H,1,3,5,7H2",FCVWHDAKNZMSON,UHFFFAOYSA,N,Chrycorin,FCVWHDAKNZMSON-UHFFFAOYSA-N
HMDB35150,508.370516158,C37H48O,C\C(\C=C\C=C(/C)\C=C/C=C(/C)\C=C/C=O)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C37H48O/c1-30(18-11-20-32(3)21-12-22-33(4)24-15-29-38)16-9-10-17-31(2)19-13-23-34(5)26-27-36-35(6)25-14-28-37(36,7)8/h9-13,15-24,26-27,29H,14,25,28H2,1-8H3/b10-9-,18-11+,19-13+,21-12-,24-15-,27-26+,30-16+,31-17+,32-20+,33-22-,34-23-",BHSZYKGHISLXHM,GOALLJMFSA,N,2'-Apo-beta-carotenal,BHSZYKGHISLXHM-GOALLJMFSA-N
HMDB35151,284.214015518,C20H28O,CC(C)C1=C(O)C=C2C(C=CC3C(C)(C)CCCC23C)=C1,"InChI=1S/C20H28O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h7-8,11-13,18,21H,6,9-10H2,1-5H3",NCHINJPZLGMLCY,UHFFFAOYSA,N,delta6-Dehydroferruginol,NCHINJPZLGMLCY-UHFFFAOYSA-N
HMDB35152,274.266051088,C20H34,CC(C)=CCC\C(C)=C/CC\C=C(/C)CCC=C(C)C,"InChI=1S/C20H34/c1-17(2)11-9-15-19(5)13-7-8-14-20(6)16-10-12-18(3)4/h11-14H,7-10,15-16H2,1-6H3/b19-13-,20-14+",UXUPDBJCOQWXPC,LRVMPXQBSA,N,Digeranyl,UXUPDBJCOQWXPC-LRVMPXQBSA-N
HMDB35153,274.266051088,C20H34,CC(C)=CCC\C(C)=C\CC(C)(CCC=C(C)C)C=C,"InChI=1S/C20H34/c1-8-20(7,15-10-12-18(4)5)16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3/b19-14+",MFGOTAHWOBKNNU,XMHGGMMESA,N,Isodigeranyl,MFGOTAHWOBKNNU-XMHGGMMESA-N
HMDB35154,364.370516158,C25H48O,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC\C(C)=C\CO,"InChI=1S/C25H48O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h17,19,21-23,26H,7-16,18,20H2,1-6H3/b24-17+,25-19+",QVAALZYWZYXTTP,OCQYTUGVSA,N,"(2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol",QVAALZYWZYXTTP-OCQYTUGVSA-N
HMDB35155,154.1357652,C10H18O,CC(C)=CCC\C(C)=C\CO,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+",GLZPCOQZEFWAFX,JXMROGBWSA,N,beta-Geraniol,GLZPCOQZEFWAFX-JXMROGBWSA-N
HMDB35156,182.13067982,C11H18O2,CC(C)=CCC\C(C)=C/COC=O,"InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-",FQMZVFJYMPNUCT,XFFZJAGNSA,N,Neryl formate,FQMZVFJYMPNUCT-XFFZJAGNSA-N
HMDB35157,196.146329884,C12H20O2,CC(C)=CCC\C(C)=C/COC(C)=O,"InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-",HIGQPQRQIQDZMP,FLIBITNWSA,N,Geranyl acetate,HIGQPQRQIQDZMP-FLIBITNWSA-N
HMDB35158,152.120115134,C10H16O,CC(=C)C1CCC2(C)OC2C1,"InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3",CCEFMUBVSUDRLG,UHFFFAOYSA,N,"1,2-Epoxy-p-menth-8-ene",CCEFMUBVSUDRLG-UHFFFAOYSA-N
HMDB35159,310.28718046,C20H38O2,CCCCCC\C=C/CCCCCCCCCCCC(O)=O,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-",URXZXNYJPAJJOQ,FPLPWBNLSA,N,Paullinic acid,URXZXNYJPAJJOQ-FPLPWBNLSA-N
HMDB35160,498.370910088,C32H50O4,CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C5CCC34C)C(O)=O)C2C1C,"InChI=1S/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)",YJBVHJIKNLBFDX,UHFFFAOYSA,N,beta-Boswellic acid acetate,YJBVHJIKNLBFDX-UHFFFAOYSA-N
HMDB35161,204.187800768,C15H24,CC(C)=CC\C=C(\C)C1CCC(C)=CC1,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7-",YHBUQBJHSRGZNF,AUWJEWJLSA,N,"2,7,10-Bisabolatriene",YHBUQBJHSRGZNF-AUWJEWJLSA-N
HMDB35162,154.1357652,C10H18O,CC(C)[C@@H]1CC[C@@H](C)CC1=O,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1",NFLGAXVYCFJBMK,BDAKNGLRSA,N,(-)-Menthone,NFLGAXVYCFJBMK-BDAKNGLRSA-N
HMDB35163,938.196431516,C40H42O26,OCC1OC(OC2=C(O)C=C(COC(=O)C3=CC(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(=O)OCC4=CC(O)=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)=C3)C=C2O)C(O)C(O)C1O,"InChI=1S/C40H42O26/c41-8-23-27(51)29(53)32(56)39(63-23)65-35-18(45)1-12(2-19(35)46)10-60-37(58)14-5-16(43)25(49)22(6-14)62-34-15(7-17(44)26(50)31(34)55)38(59)61-11-13-3-20(47)36(21(48)4-13)66-40-33(57)30(54)28(52)24(9-42)64-40/h1-7,23-24,27-30,32-33,39-57H,8-11H2",NSFIWSANZNJXLP,UHFFFAOYSA,N,Chestanin,NSFIWSANZNJXLP-UHFFFAOYSA-N
HMDB35164,382.199153314,C20H30O7,CC(CO)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O,"InChI=1S/C20H30O7/c1-10-5-6-17(24)16(4)8-14(22)27-20(17,15(10)23)19(26)12(3)13(11(2)9-21)7-18(16,19)25/h10-11,15,21,23-26H,5-9H2,1-4H3",WIFHAKQJYHVTQK,UHFFFAOYSA,N,Cinncassiol A,WIFHAKQJYHVTQK-UHFFFAOYSA-N
HMDB35165,544.251976744,C26H40O12,CC(COC1OC(CO)C(O)C(O)C1O)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O,"InChI=1S/C26H40O12/c1-11-5-6-23(33)22(4)8-16(28)38-26(23,20(11)32)25(35)13(3)14(7-24(22,25)34)12(2)10-36-21-19(31)18(30)17(29)15(9-27)37-21/h11-12,15,17-21,27,29-35H,5-10H2,1-4H3",CFJQVFNNHAUXCF,UHFFFAOYSA,N,Cinncassiol A 19-glucoside,CFJQVFNNHAUXCF-UHFFFAOYSA-N
HMDB35166,380.18350325,C20H28O7,CC(CO)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C,"InChI=1S/C20H28O7/c1-10-5-6-18(25)16(3)9-19(26)17(4,12(7-13(16)22)11(2)8-21)15(24)20(18,27-19)14(10)23/h7,10-11,14,21,23,25-26H,5-6,8-9H2,1-4H3",BKRBOORGXGTRIL,UHFFFAOYSA,N,Cinncassiol C,BKRBOORGXGTRIL-UHFFFAOYSA-N
HMDB35167,542.23632668,C26H38O12,CC(COC1OC(CO)C(O)C(O)C1O)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C,"InChI=1S/C26H38O12/c1-11-5-6-24(34)22(3)10-25(35)23(4,21(33)26(24,38-25)19(11)32)13(7-15(22)28)12(2)9-36-20-18(31)17(30)16(29)14(8-27)37-20/h7,11-12,14,16-20,27,29-32,34-35H,5-6,8-10H2,1-4H3",UUAKLIKPAJSLHI,UHFFFAOYSA,N,Cinncassiol C1 19-glucoside,UUAKLIKPAJSLHI-UHFFFAOYSA-N
HMDB35168,364.188588628,C20H28O6,CC(C)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C,"InChI=1S/C20H28O6/c1-10(2)12-8-13(21)16(4)9-19(25)17(12,5)15(23)20(26-19)14(22)11(3)6-7-18(16,20)24/h8,10-11,14,22,24-25H,6-7,9H2,1-5H3",GUZTTZMSRBAQKX,UHFFFAOYSA,N,Cinncassiol C2,GUZTTZMSRBAQKX-UHFFFAOYSA-N
HMDB35169,948.529380378,C47H80O19,CC(C(O)C(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(OC6OCC(O)C(O)C6O)C(O)C5O)C4(C)C)C3(C)CCC12C,"InChI=1S/C47H80O19/c1-20(29(50)34(55)39(59)44(4,5)60)21-13-14-47(8)27-11-9-22-23(45(27,6)15-16-46(21,47)7)10-12-28(43(22,2)3)65-42-37(58)33(54)38(66-41-35(56)30(51)24(49)18-61-41)26(64-42)19-62-40-36(57)32(53)31(52)25(17-48)63-40/h9,20-21,23-42,48-60H,10-19H2,1-8H3",MOWDSRSBTXORLO,UHFFFAOYSA,N,Momordicoside B,MOWDSRSBTXORLO-UHFFFAOYSA-N
HMDB35170,201.102788048,C12H13N2O,CN1C=CC(=CC1=O)C1=CC=[N+](C)C=C1,"InChI=1S/C12H13N2O/c1-13-6-3-10(4-7-13)11-5-8-14(2)12(15)9-11/h3-9H,1-2H3/q+1",JJAUDUMTDBMCJW,UHFFFAOYSA,N,"1',2'-Dihydro-1,1'-dimethyl-2'-oxo-4,4'-bipyridinium(1+)",JJAUDUMTDBMCJW-UHFFFAOYSA-N
HMDB35171,118.045235632,C5H10OS,CCC(=O)C(C)S,"InChI=1S/C5H10OS/c1-3-5(6)4(2)7/h4,7H,3H2,1-2H3",TWOGJUHCCNLYPC,UHFFFAOYSA,N,2-Mercapto-3-pentanone,TWOGJUHCCNLYPC-UHFFFAOYSA-N
HMDB35172,150.10446507,C10H14O,CC1=C(C=O)C(C)(C)C=CC1,"InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4,6-7H,5H2,1-3H3",AXVHXJQWKAFHQW,UHFFFAOYSA,N,"2,6,6-Trimethyl-1,4-cyclohexadiene-1-carboxaldehyde",AXVHXJQWKAFHQW-UHFFFAOYSA-N
HMDB35173,308.13722176,C15H20N2O5,OC(=O)C1CCC\[N+]1=C/C=C/C(/O)=C\N1CCCC1C([O-])=O,"InChI=1S/C15H20N2O5/c18-11(10-17-9-3-6-13(17)15(21)22)4-1-7-16-8-2-5-12(16)14(19)20/h1,4,7,10,12-13H,2-3,5-6,8-9H2,(H2-,18,19,20,21,22)",DJTFHMOANYEGKP,UHFFFAOYSA,N,"2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienylidene]pyrrolidinium",DJTFHMOANYEGKP-UHFFFAOYSA-N
HMDB35174,419.100501903,C23H17NO7,CC(N1\C(=C\C2=CC=CO2)C(=O)C(\C(C=O)=C/C2=CC=CO2)=C1C1=CC=CO1)C(O)=O,"InChI=1S/C23H17NO7/c1-14(23(27)28)24-18(12-17-6-3-9-30-17)22(26)20(21(24)19-7-4-10-31-19)15(13-25)11-16-5-2-8-29-16/h2-14H,1H3,(H,27,28)/b15-11-,18-12+",WKLHCENPFNYZSQ,DARJFKRNSA,N,"[3-[1-Formyl-2-(2-furanyl)ethenyl]]-2-(2-furanyl)-5-(2-furanylmethylene)-4,5-dihydro-a-methyl-4-oxo-1H-pyrrole-1-acetic acid, 9CI",WKLHCENPFNYZSQ-DARJFKRNSA-N
HMDB35175,202.085460962,C10H10N4O,CN1C(N)=NC2=C1C=C1OC(C)=CC1=N2,"InChI=1S/C10H10N4O/c1-5-3-6-8(15-5)4-7-9(12-6)13-10(11)14(7)2/h3-4H,1-2H3,(H2,11,12,13)",MUFPYNUSILUNGN,UHFFFAOYSA,N,"2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine",MUFPYNUSILUNGN-UHFFFAOYSA-N
HMDB35176,132.060885696,C6H12OS,CCC(S)C(C)C=O,"InChI=1S/C6H12OS/c1-3-6(8)5(2)4-7/h4-6,8H,3H2,1-2H3",FSAGSGCELJTQFN,UHFFFAOYSA,N,3-Mercapto-2-methylpentanal,FSAGSGCELJTQFN-UHFFFAOYSA-N
HMDB35177,199.084457909,C9H13NO4,CC(=O)C1=CC(=O)CC(O)C(CO)N1,"InChI=1S/C9H13NO4/c1-5(12)7-2-6(13)3-9(14)8(4-11)10-7/h2,8-11,14H,3-4H2,1H3",OISIGIMXBVOALX,UHFFFAOYSA,N,"2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one",OISIGIMXBVOALX-UHFFFAOYSA-N
HMDB35178,169.073893223,C8H11NO3,CC(=O)C1=CC(=O)CC(CO)N1,"InChI=1S/C8H11NO3/c1-5(11)8-3-7(12)2-6(4-10)9-8/h3,6,9-10H,2,4H2,1H3",SIWHSHNFBDSUFB,UHFFFAOYSA,N,"6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone",SIWHSHNFBDSUFB-UHFFFAOYSA-N
HMDB35179,300.048131982,C12H12O9,OC(=O)CC(O)(CC(=O)OCC1=CC=C(O1)C=O)C(O)=O,"InChI=1S/C12H12O9/c13-5-7-1-2-8(21-7)6-20-10(16)4-12(19,11(17)18)3-9(14)15/h1-2,5,19H,3-4,6H2,(H,14,15)(H,17,18)",FYDIRKLRXHXXHY,UHFFFAOYSA,N,Mumefural,FYDIRKLRXHXXHY-UHFFFAOYSA-N
HMDB35180,176.15650064,C13H20,C\C=C\C=C1/C(C)=CCCC1(C)C,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5+,12-9+",BYDQKMZEOZVIJM,HFACTSAFSA,N,"(6E,8E)-4,6,8-Megastigmatriene",BYDQKMZEOZVIJM-HFACTSAFSA-N
HMDB35181,206.13067982,C13H18O2,CC1=CCC2(O1)C(C)=CC(=O)CC2(C)C,"InChI=1S/C13H18O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5,7H,6,8H2,1-4H3",PYBOFDINXIGETR,UHFFFAOYSA,N,"xi-8,9-Dehydrotheaspirone",PYBOFDINXIGETR-UHFFFAOYSA-N
HMDB35182,372.1572885,C21H24O6,COC1=C(CC=C(C)C)C(OC)=C(CC(=O)C2=C(O)C=C(O)C=C2)C(O)=C1,"InChI=1S/C21H24O6/c1-12(2)5-7-15-20(26-3)11-19(25)16(21(15)27-4)10-18(24)14-8-6-13(22)9-17(14)23/h5-6,8-9,11,22-23,25H,7,10H2,1-4H3",LXLBPEZCZLGOGJ,UHFFFAOYSA,N,Licoriphenone,LXLBPEZCZLGOGJ-UHFFFAOYSA-N
HMDB35183,580.47028978,C35H64O6,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(37)33-24-25-34(41-33)32(38)23-20-17-14-11-10-12-15-18-21-30(36)27-29-26-28(2)40-35(29)39/h26,28,30-34,36-38H,3-25,27H2,1-2H3",PYNFAPLXMQHUNR,UHFFFAOYSA,N,Murisolin,PYNFAPLXMQHUNR-UHFFFAOYSA-N
HMDB35184,352.094688244,C20H16O6,CC1(C)OC2=C(O)C=C(C=C2C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3",LWZACZCRAUQSLH,UHFFFAOYSA,N,Semilicoisoflavone B,LWZACZCRAUQSLH-UHFFFAOYSA-N
HMDB35185,328.240230268,C22H32O2,CC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9-,18-14+",QGNJRVVDBSJHIZ,AQDFTDIISA,N,Retinol acetate,QGNJRVVDBSJHIZ-AQDFTDIISA-N
HMDB35186,436.152203122,C25H24O7,CC(C)=CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=CC(O)=C(O)C=C1O,"InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3",HDHRTQZSBFUBMJ,UHFFFAOYSA,N,Artonin E,HDHRTQZSBFUBMJ-UHFFFAOYSA-N
HMDB35187,502.199153314,C30H30O7,CC(C)=CCC1=C(O)C2=C(OC3=C(CC4C5=C3C(O)=CC(O)=C5OC4(C)C)C2=O)C2=C1OC(C)(C)C=C2,"InChI=1S/C30H30O7/c1-13(2)7-8-14-23(33)22-24(34)16-11-17-20-21(18(31)12-19(32)28(20)37-30(17,5)6)27(16)35-26(22)15-9-10-29(3,4)36-25(14)15/h7,9-10,12,17,31-33H,8,11H2,1-6H3",GKWNQOINHKVKOT,UHFFFAOYSA,N,Artonin F,GKWNQOINHKVKOT-UHFFFAOYSA-N
HMDB35188,723.455761927,C39H65NO11,COC(=O)C\N=C(/O)CC(C)(O)CC(=O)OC1CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(CO)CCC(O)C(C)(C)O)C(C)(C)C1O,"InChI=1S/C39H65NO11/c1-34(2)27-12-11-24-25(16-29(43)39(8)23(14-15-38(24,39)7)22(21-41)10-13-28(42)35(3,4)48)37(27,6)17-26(33(34)47)51-31(45)19-36(5,49)18-30(44)40-20-32(46)50-9/h22-23,26-29,33,41-43,47-49H,10-21H2,1-9H3,(H,40,44)",YKNPFZYHSXIFMX,UHFFFAOYSA,N,Fasciculol F,YKNPFZYHSXIFMX-UHFFFAOYSA-N
HMDB35189,723.455761927,C39H65NO11,COC(=O)CNCC(=O)CC(O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(CO)CCC(O)C(C)(C)O)C1(C)C,"InChI=1S/C39H65NO11/c1-35(2)29-11-10-26-27(17-31(46)39(7)25(13-14-38(26,39)6)22(21-41)9-12-30(45)36(3,4)49)37(29,5)18-28(44)34(35)51-32(47)16-23(42)15-24(43)19-40-20-33(48)50-8/h22-23,25,28-31,34,40-42,44-46,49H,9-21H2,1-8H3",SSGYYGXYMFWIQF,UHFFFAOYSA,N,Fasciculol E,SSGYYGXYMFWIQF-UHFFFAOYSA-N
HMDB35190,216.034192617,C13H9ClO,CC#CC#CC#CC#C\C=C\C(Cl)CO,"InChI=1S/C13H9ClO/c1-2-3-4-5-6-7-8-9-10-11-13(14)12-15/h10-11,13,15H,12H2,1H3/b11-10+",XENVCRGQTABGKY,ZHACJKMWSA,N,Chlorohydrin,XENVCRGQTABGKY-ZHACJKMWSA-N
HMDB35191,272.116092388,C15H16N2O3,OCC(O)CC(O)C1=NC=CC2=C1NC1=C2C=CC=C1,"InChI=1S/C15H16N2O3/c18-8-9(19)7-13(20)15-14-11(5-6-16-15)10-3-1-2-4-12(10)17-14/h1-6,9,13,17-20H,7-8H2",YPOORAFYDFLOBZ,UHFFFAOYSA,N,"(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol",YPOORAFYDFLOBZ-UHFFFAOYSA-N
HMDB35193,256.121177766,C15H16N2O2,OCCCC(O)C1=NC=CC2=C1NC1=C2C=CC=C1,"InChI=1S/C15H16N2O2/c18-9-3-6-13(19)15-14-11(7-8-16-15)10-4-1-2-5-12(10)17-14/h1-2,4-5,7-8,13,17-19H,3,6,9H2",SPYBYBYFMPTBMD,UHFFFAOYSA,N,"1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol",SPYBYBYFMPTBMD-UHFFFAOYSA-N
HMDB35194,432.360345402,C28H48O3,CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C=C(C)C1=O,"InChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7,31)18-16-25-24(6)26(29)19-23(5)27(25)30/h19-22,31H,8-18H2,1-7H3",ITLZIXCIULJMPV,UHFFFAOYSA,N,beta-Tocopheryl quinone,ITLZIXCIULJMPV-UHFFFAOYSA-N
HMDB35195,181.110278729,C10H15NO2,CC(C)C1CC(C(=C)C=C1)N(=O)=O,"InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-5,7,9-10H,3,6H2,1-2H3",VJPVONZUZIQQIH,UHFFFAOYSA,N,"cis-6-Nitro-p-mentha-1(7),2-diene",VJPVONZUZIQQIH-UHFFFAOYSA-N
HMDB35196,182.08439833,C12H10N2,CC1=C2NC3=CC=CC=C3C2=CC=N1,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3",PSFDQSOCUJVVGF,UHFFFAOYSA,N,Harman,PSFDQSOCUJVVGF-UHFFFAOYSA-N
HMDB35197,198.079312952,C12H10N2O,CC1=N(=O)C=CC2=C1NC1=C2C=CC=C1,"InChI=1S/C12H10N2O/c1-8-12-10(6-7-14(8)15)9-4-2-3-5-11(9)13-12/h2-7,13H,1H3",TYHZEKKOYBCAAL,UHFFFAOYSA,N,Harmanine,TYHZEKKOYBCAAL-UHFFFAOYSA-N
HMDB35198,204.187800768,C15H24,CC(CCC=C(C)C)C12CC1C(C)=CC2,"InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3",UCQHFDKBUHCAFR,UHFFFAOYSA,N,Sesquithujene,UCQHFDKBUHCAFR-UHFFFAOYSA-N
HMDB35199,222.198365454,C15H26O,CC(CCC=C(C)C)C12CC1C(C)(O)CC2,"InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3",IRDFGGRWKUKANK,UHFFFAOYSA,N,Sesquisabinene hydrate,IRDFGGRWKUKANK-UHFFFAOYSA-N
HMDB35200,314.188194698,C20H26O3,CC12CC3(CCC4C(C)(C)C(=O)C(=O)CC4(C)C3CC1=O)C=C2,"InChI=1S/C20H26O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-14H,5-6,9-11H2,1-4H3",KYOFWFWEZCLKDW,UHFFFAOYSA,N,Yucalexin B5,KYOFWFWEZCLKDW-UHFFFAOYSA-N
HMDB35201,382.162767808,C19H26O8,CC(=O)OC1C(O)C2OC3C=C(C)C(CC3(CO)C1(C)C21CO1)OC(C)=O,"InChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3",UROCTWOJYLMRHO,UHFFFAOYSA,N,"4,8-Diacetyl-T2-tetrol",UROCTWOJYLMRHO-UHFFFAOYSA-N
HMDB35202,234.161979948,C15H22O2,CC12CCCC(=C)C1CC(O)(CC2)C(=C)C=O,"InChI=1S/C15H22O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h10,13,17H,1-2,4-9H2,3H3",VRDBEJGMTYROKE,UHFFFAOYSA,N,7-Hydroxycostal,VRDBEJGMTYROKE-UHFFFAOYSA-N
HMDB35203,152.120115134,C10H16O,CC1=CCC(O)(CC1)C1CC1,"InChI=1S/C10H16O/c1-8-4-6-10(11,7-5-8)9-2-3-9/h4,9,11H,2-3,5-7H2,1H3",FTEUSHRMTWTVTP,UHFFFAOYSA,N,"(S)-9,10-Cyclo-p-menth-1-en-4-ol",FTEUSHRMTWTVTP-UHFFFAOYSA-N
HMDB35204,540.163161738,C28H28O11,CC(=O)OC1C2=CCCC3(C)C(OC(=O)C(=C23)C2(O)C3(C)OC(=O)C4OC34C(C)(C)C(=O)C12O)C1=COC=C1,"InChI=1S/C28H28O11/c1-12(29)36-18-14-7-6-9-24(4)15(14)16(20(30)37-17(24)13-8-10-35-11-13)27(34)25(5)28(19(38-28)21(31)39-25)23(2,3)22(32)26(18,27)33/h7-8,10-11,17-19,33-34H,6,9H2,1-5H3",HOJFTRARYIFTJU,UHFFFAOYSA,N,Dukunolide C,HOJFTRARYIFTJU-UHFFFAOYSA-N
HMDB35205,1303.283688658,C57H59O35,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(O)C3=C(O)C=C(OC4OC(C(O)C(O)C4OC(=O)CC(=O)OCC4OC(OC5=C(OC6=CC(O)=CC(=O)C6=C5)C5=CC(O)=C(O)C=C5)C(O)C(O)C4O)C(O)=O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C57H58O35/c58-14-30-36(68)40(72)46(78)55(86-30)92-52-42(74)37(69)31(15-59)87-57(52)90-49-39(71)35-26(65)10-21(11-28(35)84-48(49)17-1-4-19(60)5-2-17)82-56-51(44(76)43(75)50(91-56)53(79)80)89-34(67)13-33(66)81-16-32-38(70)41(73)45(77)54(88-32)85-29-12-22-24(63)8-20(61)9-27(22)83-47(29)18-3-6-23(62)25(64)7-18/h1-12,30-32,36-38,40-46,50-52,54-59,68-70,72-78H,13-16H2,(H6-,60,61,62,63,64,65,71,79,80)/p+1",YNAGDGFNQJEKFF,UHFFFAOYSA,O,Allium schoenoprasum Anthocyanin-flavonol,YNAGDGFNQJEKFF-UHFFFAOYSA-O
HMDB35206,390.204238692,C22H30O6,[H][C@@]12[C@@H](OC(C)=O)[C@@]3(C[C@]1(C)[C@@H](C)CC[C@@H]2OC(=O)C(\C)=C\C)C(=C)COC3=O,"InChI=1S/C22H30O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h7,13,16-18H,4,8-11H2,1-3,5-6H3/b12-7+/t13-,16-,17+,18+,21+,22+/m0/s1",AVAGQVZSHJYDED,NWAIQIOLSA,N,Bakkenolide B,AVAGQVZSHJYDED-NWAIQIOLSA-N
HMDB35207,160.088815006,C11H12O,C=CCC(C=O)C1=CC=CC=C1,"InChI=1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2",PBWQZEMADHTUIF,UHFFFAOYSA,N,2-Phenyl-4-pentenal,PBWQZEMADHTUIF-UHFFFAOYSA-N
HMDB35208,314.07903818,C17H14O6,COC1=CC2=C(C3CCOC3O2)C2=C1C1=C(C(=O)CC1)C(=O)O2,"InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3",WWSYXEZEXMQWHT,UHFFFAOYSA,N,Aflatoxin B2,WWSYXEZEXMQWHT-UHFFFAOYSA-N
HMDB35209,575.163890019,C27H29NO13,OCC1OC(C(O)C(O)C1O)C1(O)C2=C(C=C(N2)C2OCC(O)C2O)C(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C1=O,"InChI=1S/C27H29NO13/c29-8-16-20(35)21(36)22(37)26(41-16)27(39)24-12(7-13(28-24)23-19(34)15(32)9-40-23)18(33)17(25(27)38)14(31)6-3-10-1-4-11(30)5-2-10/h1-7,15-16,19-23,26,28-30,32-37,39H,8-9H2/b6-3+",DDYOBOBXPBUGTA,ZZXKWVIFSA,N,Cartormin,DDYOBOBXPBUGTA-ZZXKWVIFSA-N
HMDB35210,266.151809192,C15H22O4,CC(C)C(O)C(=O)CC(C)CCC(=O)C1=COC=C1,"InChI=1S/C15H22O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,15,18H,4-5,8H2,1-3H3",HCPDJZNVPUCXHZ,UHFFFAOYSA,N,10-Hydroxymyoporone,HCPDJZNVPUCXHZ-UHFFFAOYSA-N
HMDB35211,440.401816286,C31H52O,CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h15,20,22-23,25-27,32H,3,10-14,16-19H2,1-2,4-9H3",BEEARZYDKRRUMX,UHFFFAOYSA,N,3beta-24-Methylenelanost-9(11)-en-3-ol,BEEARZYDKRRUMX-UHFFFAOYSA-N
HMDB35212,386.194067936,C19H30O8,CC(=O)\C=C\C1=C(C)C(O)C(CC1(C)C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)14(22)12(7-19(11,3)4)26-18-17(25)16(24)15(23)13(8-20)27-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3/b6-5+",BLQCWBCWZFDGBW,AATRIKPKSA,N,Sonchuionoside C,BLQCWBCWZFDGBW-AATRIKPKSA-N
HMDB35213,164.083729628,C10H12O2,CC(C)C1=CC(=O)C(O)=CC=C1,"InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)",FUWUEFKEXZQKKA,UHFFFAOYSA,N,beta-Thujaplicin,FUWUEFKEXZQKKA-UHFFFAOYSA-N
HMDB35214,270.05282343,C15H10O5,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2=O,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",RHMXXJGYXNZAPX,UHFFFAOYSA,N,Emodin,RHMXXJGYXNZAPX-UHFFFAOYSA-N
HMDB35215,394.381080844,C26H50O2,CCCCCCCC\C=C\CCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h9-10H,2-8,11-25H2,1H3,(H,27,28)/b10-9+",RQIDQEBURXNDKG,MDZDMXLPSA,N,Ximenic acid,RQIDQEBURXNDKG-MDZDMXLPSA-N
HMDB35216,598.189770418,C27H34O15,COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C\COC(C)=O)C1CC(=O)OCCC1=CC(O)=C(O)C=C1,"InChI=1S/C27H34O15/c1-13(29)38-8-6-15-16(10-21(32)39-7-5-14-3-4-18(30)19(31)9-14)17(25(36)37-2)12-40-26(15)42-27-24(35)23(34)22(33)20(11-28)41-27/h3-4,6,9,12,16,20,22-24,26-28,30-31,33-35H,5,7-8,10-11H2,1-2H3/b15-6+",YLCGBFYGDVDQTI,GIDUJCDVSA,N,10-Acetoxyoleuropein,YLCGBFYGDVDQTI-GIDUJCDVSA-N
HMDB35217,582.194855796,C27H34O14,COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C\COC(C)=O)C1CC(=O)OCCC1=CC=C(O)C=C1,"InChI=1S/C27H34O14/c1-14(29)37-10-8-17-18(11-21(31)38-9-7-15-3-5-16(30)6-4-15)19(25(35)36-2)13-39-26(17)41-27-24(34)23(33)22(32)20(12-28)40-27/h3-6,8,13,18,20,22-24,26-28,30,32-34H,7,9-12H2,1-2H3/b17-8+",DKRXODJAISNRGA,CAOOACKPSA,N,10-Acetoxyligustroside,DKRXODJAISNRGA-CAOOACKPSA-N
HMDB35218,327.158291553,C18H21N3O3,CC(C)\C=C1\NC(=O)C(C(C)C)N2C(=O)C3=C(OC=CC=C3)N=C12,"InChI=1S/C18H21N3O3/c1-10(2)9-13-15-20-17-12(7-5-6-8-24-17)18(23)21(15)14(11(3)4)16(22)19-13/h5-11,14H,1-4H3,(H,19,22)/b13-9+",CCHUDPANZXHQCS,UKTHLTGXSA,N,Cinereain,CCHUDPANZXHQCS-UKTHLTGXSA-N
HMDB35219,418.126382302,C21H22O9,OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(CO)C=C2O,"InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2",AFHJQYHRLPMKHU,UHFFFAOYSA,N,Aloin,AFHJQYHRLPMKHU-UHFFFAOYSA-N
HMDB35220,296.141244506,C19H20O3,CC1COC2=C1C(=O)C(=O)C1=C2C=CC2=C1CCCC2(C)C,"InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3",GVKKJJOMQCNPGB,UHFFFAOYSA,N,Cryptotanshinone,GVKKJJOMQCNPGB-UHFFFAOYSA-N
HMDB35221,474.334524582,C29H46O5,CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC23C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1,"InChI=1S/C29H46O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-24,30-31,33H,6-17H2,1-5H3",PGCCXLDWXXFVMP,UHFFFAOYSA,N,"(3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one",PGCCXLDWXXFVMP-UHFFFAOYSA-N
HMDB35222,502.220282686,C27H34O9,COC(=O)CC1OC(C)(C)C2C(O)C(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)C3=COC=C3)C12C,"InChI=1S/C27H34O9/c1-23(2)18-17(29)19(30)26(5)14(25(18,4)15(35-23)11-16(28)32-6)7-9-24(3)20(13-8-10-33-12-13)34-22(31)21-27(24,26)36-21/h8,10,12,14-15,17-18,20-21,29H,7,9,11H2,1-6H3",BPAWUWIFAKISJD,UHFFFAOYSA,N,Isocyclocalamin,BPAWUWIFAKISJD-UHFFFAOYSA-N
HMDB35223,248.141244506,C15H20O3,CC1=C(CCO)C(C)=C2C(=C1)C(O)C(C)(C)C2=O,"InChI=1S/C15H20O3/c1-8-7-11-12(9(2)10(8)5-6-16)14(18)15(3,4)13(11)17/h7,13,16-17H,5-6H2,1-4H3",FITSCHPIOGIYJY,UHFFFAOYSA,N,(S)-Pterosin D,FITSCHPIOGIYJY-UHFFFAOYSA-N
HMDB35224,208.109944378,C12H16O3,COC1=C(C)C(O)=C2COC(C)CC2=C1,"InChI=1S/C12H16O3/c1-7-4-9-5-11(14-3)8(2)12(13)10(9)6-15-7/h5,7,13H,4,6H2,1-3H3",OQMJILQCXYKZEM,UHFFFAOYSA,N,"3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol",OQMJILQCXYKZEM-UHFFFAOYSA-N
HMDB35225,528.345089268,C32H48O6,CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C32H48O6/c1-18(28(36)37)9-11-24(38-20(3)33)19(2)23-17-27(35)32(8)22-10-12-25-29(4,5)26(34)14-15-30(25,6)21(22)13-16-31(23,32)7/h9-10,13,19,23-27,34-35H,11-12,14-17H2,1-8H3,(H,36,37)/b18-9+",PXBRGMAJKPPNOG,GIJQJNRQSA,N,"(22S)-Acetoxy-3alpha,15alpha-dihydroxylanosta-7,9(11),24-trien-26-oic acid",PXBRGMAJKPPNOG-GIJQJNRQSA-N
HMDB35226,124.0524295,C7H8O2,CC(=O)C1=CC=C(C)O1,"InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3",KEFJLCGVTHRGAH,UHFFFAOYSA,N,2-Acetyl-5-methylfuran,KEFJLCGVTHRGAH-UHFFFAOYSA-N
HMDB35227,120.005873238,C3H4O5,OC(C(O)=O)C(O)=O,"InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)",ROBFUDYVXSDBQM,UHFFFAOYSA,N,Hydroxypropanedioic acid,ROBFUDYVXSDBQM-UHFFFAOYSA-N
HMDB35228,208.146329884,C13H20O2,CC1CCC2(O1)C(C)=CC(=O)CC2(C)C,"InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3",AXQMCYYCOKLZPP,UHFFFAOYSA,N,Theaspirone A,AXQMCYYCOKLZPP-UHFFFAOYSA-N
HMDB35229,138.10446507,C9H14O,CC(C)C12CC1C(=O)CC2,"InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3",MDDYCNAAAZKNAJ,UHFFFAOYSA,N,5-Isopropylbicyclo[3.1.0]hexan-2-one,MDDYCNAAAZKNAJ-UHFFFAOYSA-N
HMDB35230,310.047738052,C17H10O6,OC1=CC=C(C=C1)C1=C2OC3=C(C=C2OC1=O)C=C(O)C(O)=C3,"InChI=1S/C17H10O6/c18-10-3-1-8(2-4-10)15-16-14(23-17(15)21)6-9-5-11(19)12(20)7-13(9)22-16/h1-7,18-20H",QIZCPKIKTOBRLA,UHFFFAOYSA,N,Aurantricholide B,QIZCPKIKTOBRLA-UHFFFAOYSA-N
HMDB35231,128.120115134,C8H16O,CCCC\C=C/CCO,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5-",YDXQPTHHAPCTPP,WAYWQWQTSA,N,(Z)-3-Octen-1-ol,YDXQPTHHAPCTPP-WAYWQWQTSA-N
HMDB35232,233.177964363,C15H23NO,CC(O)CCC1CC2=C(C=CN=C2C)C1(C)C,"InChI=1S/C15H23NO/c1-10(17)5-6-12-9-13-11(2)16-8-7-14(13)15(12,3)4/h7-8,10,12,17H,5-6,9H2,1-4H3",IMDXDPUTIISQIM,UHFFFAOYSA,N,Rotundine B,IMDXDPUTIISQIM-UHFFFAOYSA-N
HMDB35233,298.154209228,C15H18N6O,CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1,"InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)",GTVPOLSIJWJJNY,UHFFFAOYSA,N,Olomoucine,GTVPOLSIJWJJNY-UHFFFAOYSA-N
HMDB35234,436.428031036,C29H56O2,CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCC,"InChI=1S/C29H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28(30)27-29(31)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3",NQZGLLKWZNPQIZ,UHFFFAOYSA,N,"14,16-Nonacosanedione",NQZGLLKWZNPQIZ-UHFFFAOYSA-N
HMDB35235,166.099379692,C10H14O2,CC\C=C\C\C=C\C=C\C(O)=O,"InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h3-4,6-9H,2,5H2,1H3,(H,11,12)/b4-3+,7-6+,9-8+",VNIDZLOWFDROIW,SIRUGEDZSA,N,"2,4,7-Decatrienoic acid",VNIDZLOWFDROIW-SIRUGEDZSA-N
HMDB35236,594.449554338,C35H62O7,CCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C35H62O7/c1-3-4-5-6-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-8-7-9-11-14-17-28-25-27(24-26(2)36)35(39)40-28/h27-34,37-38H,3-25H2,1-2H3",MKIFKXKPNJUPLF,UHFFFAOYSA,N,Squamolinone,MKIFKXKPNJUPLF-UHFFFAOYSA-N
HMDB35237,552.381474774,C35H52O5,CC(C)C(=O)C12C(=O)C3(CC=C(C)C)CC(CC=C(C)C)C1(C)CCC(OC2=C(CC=C(C)C)C3=O)C(C)(C)O,"InChI=1S/C35H52O5/c1-21(2)12-14-25-20-34(19-16-23(5)6)29(37)26(15-13-22(3)4)30-35(31(34)38,28(36)24(7)8)33(25,11)18-17-27(40-30)32(9,10)39/h12-13,16,24-25,27,39H,14-15,17-20H2,1-11H3",SUFKQAGGNFAGTD,UHFFFAOYSA,N,"8-Hydroxyhyperforin 8,1-hemiacetal",SUFKQAGGNFAGTD-UHFFFAOYSA-N
HMDB35238,130.099379692,C7H14O2,CCCCCC(=O)OC,"InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3",NUKZAGXMHTUAFE,UHFFFAOYSA,N,Methyl hexanoate,NUKZAGXMHTUAFE-UHFFFAOYSA-N
HMDB35239,98.073164942,C6H10O,CCC(=O)\C=C\C,"InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+",FEWIGMWODIRUJM,HWKANZROSA,N,4-Hexen-3-one,FEWIGMWODIRUJM-HWKANZROSA-N
HMDB35240,180.115029756,C11H16O2,CC12CCCC(C)(C)C1=CC(=O)O2,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3",IMKHDCBNRDRUEB,UHFFFAOYSA,N,Dihydroactinidiolide,IMKHDCBNRDRUEB-UHFFFAOYSA-N
HMDB35241,152.120115134,C10H16O,C\C(CO)=C/CCC(=C)C=C,"InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7+",IEVYLQISZQFFGA,JXMROGBWSA,N,"(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol",IEVYLQISZQFFGA-JXMROGBWSA-N
HMDB35242,126.10446507,C8H14O,CCC(C)C(=O)\C=C/C,"InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4-",ARJWAURHQDJJAC,XQRVVYSFSA,N,"(S,E)-Filbertone",ARJWAURHQDJJAC-XQRVVYSFSA-N
HMDB35243,148.0524295,C9H8O2,CC(=O)C(=O)C1=CC=CC=C1,"InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3",BVQVLAIMHVDZEL,UHFFFAOYSA,N,"1-Phenyl-1,2-propanedione",BVQVLAIMHVDZEL-UHFFFAOYSA-N
HMDB35244,118.045235632,C5H10OS,CC1SCCC1O,"InChI=1S/C5H10OS/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3",HAUQWGSXLBQNPN,UHFFFAOYSA,N,Tetrahydro-2-methylthiophen-3-ol,HAUQWGSXLBQNPN-UHFFFAOYSA-N
HMDB35245,206.167065326,C14H22O,CCC(=O)\C=C\C1C(C)=CCCC1(C)C,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+",VPKMGDRERYMTJX,CMDGGOBGSA,N,"1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one",VPKMGDRERYMTJX-CMDGGOBGSA-N
HMDB35246,158.167065326,C10H22O,CCC(C)(O)CCCC(C)C,"InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3",DLHQZZUEERVIGQ,UHFFFAOYSA,N,"3,7-Dimethyl-3-octanol",DLHQZZUEERVIGQ-UHFFFAOYSA-N
HMDB35247,454.344695338,C30H46O3,CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3,"InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10+",KDCSSVADTHDYGI,KEBDBYFISA,N,Isomasticadienonic acid,KDCSSVADTHDYGI-KEBDBYFISA-N
HMDB35248,108.068748266,C6H8N2,CC1=CN=CC(C)=N1,"InChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3",HJFZAYHYIWGLNL,UHFFFAOYSA,N,"2,6-Dimethylpyrazine",HJFZAYHYIWGLNL-UHFFFAOYSA-N
HMDB35249,424.173332494,C21H28O9,C\C1=C\C2OC(=O)C(=C)C2CC\C(=C/CC1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H28O9/c1-10-4-3-5-12(6-7-13-11(2)19(26)28-14(13)8-10)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h5,8,13-18,21-25H,2-4,6-7,9H2,1H3/b10-8-,12-5+",SIOXYUXOHTZOOM,INAGUISBSA,N,Taraxinic acid glucosyl ester,SIOXYUXOHTZOOM-INAGUISBSA-N
HMDB35250,150.10446507,C10H14O,CC1(C)C2CC1C(C=O)=CC2,"InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3",KMRMUZKLFIEVAO,UHFFFAOYSA,N,Myrtenal,KMRMUZKLFIEVAO-UHFFFAOYSA-N
HMDB35251,454.344695338,C30H46O3,CC1(C)C(O)CCC2(C)C1CCC1(C)C2=CC=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O,"InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)",DPWVNICGMWYCAP,UHFFFAOYSA,N,9(11)-Dehydroglycyrrhetic acid,DPWVNICGMWYCAP-UHFFFAOYSA-N
HMDB35252,470.33960996,C30H46O4,CC12CCC(C)(CC1C1=CC=C3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O,"InChI=1S/C30H46O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7-8,20-21,23,31-32H,9-18H2,1-6H3,(H,33,34)",DHANXHHFIWKYCW,UHFFFAOYSA,N,"3beta-3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid",DHANXHHFIWKYCW-UHFFFAOYSA-N
HMDB35253,1345.294253344,C59H61O36,CC(=O)OC1C(O)C(COC(=O)CC(=O)OC2C(OC3=CC(O)=C4C(O)=C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(=[O+]C4=C3)C3=CC=C(O)C=C3)OC(C(O)C2O)C(O)=O)OC(OC2=C(OC3=CC(O)=CC(=O)C3=C2)C2=CC(O)=C(O)C=C2)C1O,"InChI=1S/C59H60O36/c1-18(62)84-50-40(73)34(91-57(47(50)80)88-31-13-24-26(66)9-22(64)10-29(24)86-48(31)20-4-7-25(65)27(67)8-20)17-83-35(69)14-36(70)92-53-45(78)44(77)52(55(81)82)94-58(53)85-23-11-28(68)37-30(12-23)87-49(19-2-5-21(63)6-3-19)51(41(37)74)93-59-54(43(76)39(72)33(16-61)90-59)95-56-46(79)42(75)38(71)32(15-60)89-56/h2-13,32-34,38-40,42-47,50,52-54,56-61,71-73,75-80H,14-17H2,1H3,(H6-,63,64,65,66,67,68,74,81,82)/p+1",HBUWQFVZPZYYDU,UHFFFAOYSA,O,Allium schoenoprasum Anthocyanin-flavonol 3''-acetate,HBUWQFVZPZYYDU-UHFFFAOYSA-O
HMDB35254,260.104859,C15H16O4,COC1=C(C)C(=O)C2=C(C=C(O)C=C2C1=O)C(C)C,"InChI=1S/C15H16O4/c1-7(2)10-5-9(16)6-11-12(10)13(17)8(3)15(19-4)14(11)18/h5-7,16H,1-4H3",GMQGRIMALOVAPW,UHFFFAOYSA,N,"7-Hydroxy-5-isopropyl-2-methoxy-3-methyl-1,4-naphthoquinone",GMQGRIMALOVAPW-UHFFFAOYSA-N
HMDB35255,408.193674006,C25H28O5,CC(C)=CCC\C(C)=C\CC1=C(O)C=CC(C(=O)\C=C\C2=CC(O)=C(O)C=C2)=C1O,"InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-10-19-22(27)14-11-20(25(19)30)21(26)12-8-18-9-13-23(28)24(29)15-18/h5,7-9,11-15,27-30H,4,6,10H2,1-3H3/b12-8+,17-7+",WWJVSOYKRSDSDN,PIRRJUBYSA,N,"3'-Geranyl-2',3,4,4'-tetrahydroxychalcone",WWJVSOYKRSDSDN-PIRRJUBYSA-N
HMDB35256,484.318874518,C30H44O5,CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC34C)C1C2,"InChI=1S/C30H44O5/c1-25-14-18-17-13-19(32)23-27(3)9-8-21(33)28(4,16-31)20(27)7-10-30(23,6)29(17,5)12-11-26(18,2)22(15-25)35-24(25)34/h13,18,20-23,31,33H,7-12,14-16H2,1-6H3",NZAZEJAWWUVNNZ,UHFFFAOYSA,N,24-Hydroxyglabrolide,NZAZEJAWWUVNNZ-UHFFFAOYSA-N
HMDB35257,484.355260024,C31H48O4,COC(=O)C1(C)CCC2(C)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(CO)C5CCC34C)=C2C1,"InChI=1S/C31H48O4/c1-26-14-15-27(2,25(34)35-7)18-21(26)20-8-9-23-28(3)12-11-24(33)29(4,19-32)22(28)10-13-31(23,6)30(20,5)17-16-26/h8-9,22-24,32-33H,10-19H2,1-7H3",YAXQAGGRDUKRGH,UHFFFAOYSA,N,"Methyl 3b,24-dihydroxy-11,13(18)-oleanadien-30-oate",YAXQAGGRDUKRGH-UHFFFAOYSA-N
HMDB35258,472.355260024,C30H48O4,CC12CCC(C)(CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O,"InChI=1S/C30H48O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)",VVWRIMSHBALFKN,UHFFFAOYSA,N,Azukisapogenol,VVWRIMSHBALFKN-UHFFFAOYSA-N
HMDB35259,486.334524582,C30H46O5,CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(CO)CCC12C)C(O)=O,"InChI=1S/C30H46O5/c1-25(2)21-7-10-29(6)23(27(21,4)9-8-22(25)33)20(32)15-18-19-16-26(3,24(34)35)11-13-30(19,17-31)14-12-28(18,29)5/h15,19,21-23,31,33H,7-14,16-17H2,1-6H3,(H,34,35)",CWCIIDUCIPKOCX,UHFFFAOYSA,N,28-Hydroxyglycyrrhetic acid,CWCIIDUCIPKOCX-UHFFFAOYSA-N
HMDB35260,472.355260024,C30H48O4,CC1(C)CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)=C2C1)C(O)=O,"InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h20-23,31-32H,8-17H2,1-7H3,(H,33,34)",HJMFZRRKMVZJCX,UHFFFAOYSA,N,delta-Maslinic acid,HJMFZRRKMVZJCX-UHFFFAOYSA-N
HMDB35261,486.334524582,C30H46O5,CC12CCC(C)(CC1C1=CC(=O)C3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O,"InChI=1S/C30H46O5/c1-25-11-12-26(2,24(34)35)16-19(25)18-15-20(32)23-27(3)9-8-22(33)28(4,17-31)21(27)7-10-30(23,6)29(18,5)14-13-25/h15,19,21-23,31,33H,7-14,16-17H2,1-6H3,(H,34,35)",GSEPOEIKWTXTHS,UHFFFAOYSA,N,24-Hydroxyglycyrrhetic acid,GSEPOEIKWTXTHS-UHFFFAOYSA-N
HMDB35262,608.371304018,C37H52O7,CC1(CC2C3C(=O)CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(C)CC1OC(=O)C1=CC=CC=C1)C=O,"InChI=1S/C37H52O7/c1-32(20-38)17-23-30-24(40)16-26-33(2)14-13-27(41)35(4,21-39)25(33)12-15-36(26,5)37(30,6)18-28(42)34(23,3)19-29(32)44-31(43)22-10-8-7-9-11-22/h7-11,20,23,25-30,39,41-42H,12-19,21H2,1-6H3",JRDPVKHVHJVBRF,UHFFFAOYSA,N,Avenestergenin A2,JRDPVKHVHJVBRF-UHFFFAOYSA-N
HMDB35263,456.360345402,C30H48O3,CC1(C)CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC45C)C2C1OC3=O,"InChI=1S/C30H48O3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)33-24(30)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31H,8-17H2,1-7H3",BVJDDPRBYGBPKD,UHFFFAOYSA,N,Oxyallobetulin,BVJDDPRBYGBPKD-UHFFFAOYSA-N
HMDB35264,637.397853119,C38H55NO7,CNC1=CC=CC=C1C(=O)OC1CC2(C)C(O)CC3(C)C(C2CC1(C)C=O)C(=O)CC1C2(C)CCC(O)C(C)(CO)C2CCC31C,"InChI=1S/C38H55NO7/c1-33(20-40)17-23-31-25(42)16-27-34(2)14-13-28(43)36(4,21-41)26(34)12-15-37(27,5)38(31,6)18-29(44)35(23,3)19-30(33)46-32(45)22-10-8-9-11-24(22)39-7/h8-11,20,23,26-31,39,41,43-44H,12-19,21H2,1-7H3",DESUBBPDSFNHTF,UHFFFAOYSA,N,Avenestergenin A1,DESUBBPDSFNHTF-UHFFFAOYSA-N
HMDB35265,424.370516158,C30H48O,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C=C1,"InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,15-16,21-24,31H,10-14,17-19H2,1-8H3",DAYKSLOBCZJGHS,UHFFFAOYSA,N,Anhydrosophoradiol,DAYKSLOBCZJGHS-UHFFFAOYSA-N
HMDB35266,592.376389396,C37H52O6,CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(=O)C2C3CC(C)(C=O)C(CC3(C)C(O)CC12C)OC(=O)C1=CC=CC=C1,"InChI=1S/C37H52O6/c1-32(2)25-13-16-36(6)26(34(25,4)15-14-27(32)40)17-24(39)30-23-18-33(3,21-38)29(43-31(42)22-11-9-8-10-12-22)20-35(23,5)28(41)19-37(30,36)7/h8-12,21,23,25-30,40-41H,13-20H2,1-7H3",GQOZPIAGDDOAGV,UHFFFAOYSA,N,Avenestergenin B2,GQOZPIAGDDOAGV-UHFFFAOYSA-N
HMDB35267,512.386560152,C33H52O4,COC(=O)C12CCC(C)(C)CC1=C1CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2,"InChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h24-26H,10-20H2,1-9H3",VNBZCSKDIGCTNO,UHFFFAOYSA,N,Methyl 3b-hydroxy-13(18)-oleanen-28-oate,VNBZCSKDIGCTNO-UHFFFAOYSA-N
HMDB35268,164.083729626,C10H12O2,CC(C)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)",CKMXAIVXVKGGFM,UHFFFAOYSA,N,4-Isopropylbenzoic acid,CKMXAIVXVKGGFM-UHFFFAOYSA-N
HMDB35269,972.492994872,C48H76O20,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C48H76O20/c1-43(2)13-15-48(42(62)68-40-37(59)34(56)31(53)25(66-40)20-63-38-35(57)32(54)29(51)23(18-49)64-38)16-14-45(4)21(22(48)17-43)7-8-26-44(3)11-10-28(47(6,41(60)61)27(44)9-12-46(26,45)5)67-39-36(58)33(55)30(52)24(19-50)65-39/h7,22-40,49-59H,8-20H2,1-6H3,(H,60,61)",SDSUINASRZZKPO,UHFFFAOYSA,N,Azukisaponin IV,SDSUINASRZZKPO-UHFFFAOYSA-N
HMDB35270,468.360345402,C31H48O3,COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CC2,"InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3",PPMUFCXCVKVCSV,UHFFFAOYSA,N,Methyl 3-oxo-12-oleanen-28-oate,PPMUFCXCVKVCSV-UHFFFAOYSA-N
HMDB35271,231.162314299,C15H21NO,CC(=O)CCC1CC2=C(C)N=CC=C2C1(C)C,"InChI=1S/C15H21NO/c1-10(17)5-6-12-9-13-11(2)16-8-7-14(13)15(12,3)4/h7-8,12H,5-6,9H2,1-4H3",RNURUJBYBMGADV,UHFFFAOYSA,N,Rotundine A,RNURUJBYBMGADV-UHFFFAOYSA-N
HMDB35272,154.135765198,C10H18O,CC(C)C1CCC(C)C(=O)C1,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3",GCRTVIUGJCJVDD,UHFFFAOYSA,N,p-Menthan-2-one,GCRTVIUGJCJVDD-UHFFFAOYSA-N
HMDB35273,378.277009704,C23H38O4,CCCCC\C=C/C\C=C/CCCCC\C=C\C(=O)C[C@@H](O)COC(C)=O,"InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h7-8,10-11,17-18,23,26H,3-6,9,12-16,19-20H2,1-2H3/b8-7-,11-10-,18-17+/t23-/m1/s1",YLWJMUPPJKELEC,RSWURYEXSA,N,"1-Acetoxy-2-hydroxy-5,12,15-heneicosatrien-4-one",YLWJMUPPJKELEC-RSWURYEXSA-N
HMDB35274,424.370516158,C30H48O,CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2=C1C,"InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19,22-24,31H,10-18H2,1-8H3",LGVXVLHBYPSFGC,UHFFFAOYSA,N,Momodicaursenol,LGVXVLHBYPSFGC-UHFFFAOYSA-N
HMDB35275,192.07864425,C11H12O3,COC1=C2OCOC2=CC(\C=C\C)=C1,"InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3+",DHUZAAUGHUHIDS,ONEGZZNKSA,N,Isomyristicin,DHUZAAUGHUHIDS-ONEGZZNKSA-N
HMDB35276,290.26096571,C20H34O,CC1(C)CCCC2(C)C(CCC(=C)C=C)C(C)(O)CCC12,"InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3",JTWQQJDENGGSBJ,UHFFFAOYSA,N,"8alpha-13(16),14-Labdadien-8-ol",JTWQQJDENGGSBJ-UHFFFAOYSA-N
HMDB35277,152.120115134,C10H16O,CC(C)C1CC(O)C(=C)C=C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-5,7,9-11H,3,6H2,1-2H3",VKAGFXRPRUAOHV,UHFFFAOYSA,N,"(2S,4R)-p-Mentha-1(7),5-dien-2-ol",VKAGFXRPRUAOHV-UHFFFAOYSA-N
HMDB35278,508.52193142,C34H68O2,CCCCCC(O)CCCCCCCCCCCCCCCCCCCCCC(C)C(=O)CCCC,"InChI=1S/C34H68O2/c1-4-6-25-29-33(35)30-27-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-26-28-32(3)34(36)31-7-5-2/h32-33,35H,4-31H2,1-3H3",CWAFOZKQAVUFRD,UHFFFAOYSA,N,28-Hydroxy-6-methyl-5-tritriacontanone,CWAFOZKQAVUFRD-UHFFFAOYSA-N
HMDB35279,448.500802048,C32H64,CCCCCCCCCCCCCCCCCCCCCCCC(C)CCC\C=C\CC,"InChI=1S/C32H64/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-32(3)30-28-26-9-7-5-2/h7,9,32H,4-6,8,10-31H2,1-3H3/b9-7+",NEIFCRYWKMLIFK,VQHVLOKHSA,N,8-Methyl-3-hentriacontene,NEIFCRYWKMLIFK-VQHVLOKHSA-N
HMDB35280,152.120115134,C10H16O,CC12C3CC(CC13)C2(C)CO,"InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3",ZWUWJJHLJNLVDD,UHFFFAOYSA,N,Teresantalol,ZWUWJJHLJNLVDD-UHFFFAOYSA-N
HMDB35281,121.052763851,C7H7NO,CC(=O)C1=CC=CC=N1,"InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3",AJKVQEKCUACUMD,UHFFFAOYSA,N,2-Acetylpyridine,AJKVQEKCUACUMD-UHFFFAOYSA-N
HMDB35282,413.329379625,C27H43NO2,CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CN1,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",KWVISVAMQJWJSZ,UHFFFAOYSA,N,Solasodine,KWVISVAMQJWJSZ-UHFFFAOYSA-N
HMDB35283,334.250794954,C21H34O3,CCCCCCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1,"InChI=1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)14-18-15-20(23)17-21(24)16-18/h15-17,23-24H,2-14H2,1H3",GOWOYXJBRFHPCM,UHFFFAOYSA,N,"1-(3,5-Dihydroxyphenyl)-2-pentadecanone",GOWOYXJBRFHPCM-UHFFFAOYSA-N
HMDB35284,320.121965626,C12H20N2O8,OCC(O)C(O)C(O)C1=CN=C(C=N1)C(O)C(O)C(O)CO,"InChI=1S/C12H20N2O8/c15-3-7(17)11(21)9(19)5-1-13-6(2-14-5)10(20)12(22)8(18)4-16/h1-2,7-12,15-22H,3-4H2",NPWQIVOYGNUVEB,UHFFFAOYSA,N,D-Fructosazine,NPWQIVOYGNUVEB-UHFFFAOYSA-N
HMDB35285,978.539945064,C48H82O20,CC(=C)C(CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C)OO,"InChI=1S/C48H82O20/c1-21(2)24(68-61)10-16-48(8,67-42-39(60)36(57)33(54)26(19-50)63-42)22-9-14-47(7)31(22)23(52)17-29-45(5)13-12-30(44(3,4)28(45)11-15-46(29,47)6)65-43-40(37(58)34(55)27(20-51)64-43)66-41-38(59)35(56)32(53)25(18-49)62-41/h22-43,49-61H,1,9-20H2,2-8H3",QCCQLRNQOAQMKU,UHFFFAOYSA,N,Ginsenoside I,QCCQLRNQOAQMKU-UHFFFAOYSA-N
HMDB35286,334.214409448,C20H30O4,C\C=C(\C)C(=O)O[C@@H]1C=C(C)CC[C@]2(O)[C@@H](C(C)C)CC(=O)[C@]12C,"InChI=1S/C20H30O4/c1-7-14(5)18(22)24-17-10-13(4)8-9-20(23)15(12(2)3)11-16(21)19(17,20)6/h7,10,12,15,17,23H,8-9,11H2,1-6H3/b14-7-/t15-,17-,19-,20+/m1/s1",IVSKJBHOJBAMEK,PLZRYLHISA,N,Crispanone,IVSKJBHOJBAMEK-PLZRYLHISA-N
HMDB35287,238.193280076,C15H26O2,CC(C)C1CCC2(C)CC(O)C3(C)CCC12O3,"InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3",VLIUMVVQGMLOJG,UHFFFAOYSA,N,Daucol,VLIUMVVQGMLOJG-UHFFFAOYSA-N
HMDB35288,406.271924326,C24H38O5,CC(=O)OC1C(OC(C)=O)C(C)=C(CCC(C)(O)C=C)C2(C)CCCC(C)(C)C12,"InChI=1S/C24H38O5/c1-9-23(7,27)14-11-18-15(2)19(28-16(3)25)20(29-17(4)26)21-22(5,6)12-10-13-24(18,21)8/h9,19-21,27H,1,10-14H2,2-8H3",JVKGUKYXQMTNOK,UHFFFAOYSA,N,"(6b,7b,13R)-6,7-Diacetoxy-8,14-labdadiene-13-ol",JVKGUKYXQMTNOK-UHFFFAOYSA-N
HMDB35289,108.068748266,C6H8N2,CC1=CN=C(C)C=N1,"InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3",LCZUOKDVTBMCMX,UHFFFAOYSA,N,"2,5-Dimethylpyrazine",LCZUOKDVTBMCMX-UHFFFAOYSA-N
HMDB35290,325.852930346,C2H6Fe2N4O4S2,C[S]1[Fe]2(N=O)(N=O)[S](C)[Fe]12(N=O)N=O,InChI=1S/2CH3S.2Fe.4NO/c2*1-2;;;4*1-2/h2*1H3;;;;;;/q;;2*+2;4*-1,KFULJHPUIROTDJ,UHFFFAOYSA,N,Bis(m-methanethiolato)tetranitrosyldiiron,KFULJHPUIROTDJ-UHFFFAOYSA-N
HMDB35291,188.047344122,C11H8O3,CC1=CC(=O)C2=C(C(O)=CC=C2)C1=O,"InChI=1S/C11H8O3/c1-6-5-9(13)7-3-2-4-8(12)10(7)11(6)14/h2-5,12H,1H3",ZMOIGGHUSNHCAB,UHFFFAOYSA,N,Isoplumbagin,ZMOIGGHUSNHCAB-UHFFFAOYSA-N
HMDB35292,570.355653954,C34H50O7,CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(40-21(3)35)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(37)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+",KQKZINUOFUEGEI,VXLYETTFSA,N,Ganodermic acid P2,KQKZINUOFUEGEI-VXLYETTFSA-N
HMDB35293,250.193280076,C16H26O2,CC12CCC3C(C)(C)CCCC3(C)C1CC(=O)O2,"InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3",IMKJGXCIJJXALX,UHFFFAOYSA,N,Norambreinolide,IMKJGXCIJJXALX-UHFFFAOYSA-N
HMDB35294,570.355653954,C34H50O7,CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O,"InChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(40-21(3)35)20(2)25-18-28(37)34(9)24-11-13-27-31(5,6)29(41-22(4)36)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+",BCZACVDBVIYNMZ,VXLYETTFSA,N,Ganoderic acid Mk,BCZACVDBVIYNMZ-VXLYETTFSA-N
HMDB35295,486.334524582,C30H46O5,CC(C(O)C\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C30H46O5/c1-17(26(34)35)8-10-22(31)18(2)21-16-25(33)30(7)20-9-11-23-27(3,4)24(32)13-14-28(23,5)19(20)12-15-29(21,30)6/h8-9,12,18,21-25,31-33H,10-11,13-16H2,1-7H3,(H,34,35)/b17-8+",VQYWTFJFAJFDIW,CAOOACKPSA,N,"(3beta,15alpha,22S,24E)-3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid",VQYWTFJFAJFDIW-CAOOACKPSA-N
HMDB35296,868.409265244,C43H64O18,CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCC4=C(C)C(O)=C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C=C4C3(C)C(=O)CC12C,"InChI=1S/C43H64O18/c1-18-20-9-10-26-40(5)14-22(46)36(43(8,56)27(47)11-12-39(3,4)61-19(2)45)41(40,6)15-28(48)42(26,7)21(20)13-23(29(18)49)58-38-35(55)33(53)31(51)25(60-38)17-57-37-34(54)32(52)30(50)24(16-44)59-37/h13,22,24-26,30-38,44,46,49-56H,9-12,14-17H2,1-8H3",VZFXZQQZJZPIGO,UHFFFAOYSA,N,Fevicordin B 2-gentiobioside,VZFXZQQZJZPIGO-UHFFFAOYSA-N
HMDB35297,410.20932407,C25H30O5,CC(C)C1=C2C(=O)C3(C)CC=C(C)C(CC=C(C)C)C3C(=O)C2=C(C=O)C(O)=C1O,"InChI=1S/C25H30O5/c1-12(2)7-8-15-14(5)9-10-25(6)20(15)22(28)18-16(11-26)21(27)23(29)17(13(3)4)19(18)24(25)30/h7,9,11,13,15,20,27,29H,8,10H2,1-6H3",FMJIKKXSIVRJGO,UHFFFAOYSA,N,Heliocide H1,FMJIKKXSIVRJGO-UHFFFAOYSA-N
HMDB35298,410.20932407,C25H30O5,CC(C)C1=C2C(=O)C3(C)C(CC=C(C)C)C(C)=CCC3C(=O)C2=C(C=O)C(O)=C1O,"InChI=1S/C25H30O5/c1-12(2)7-9-16-14(5)8-10-17-22(28)19-15(11-26)21(27)23(29)18(13(3)4)20(19)24(30)25(16,17)6/h7-8,11,13,16-17,27,29H,9-10H2,1-6H3",PHFQEHPMSYAMIH,UHFFFAOYSA,N,Heliocide H4,PHFQEHPMSYAMIH-UHFFFAOYSA-N
HMDB35299,500.31378914,C30H44O6,CC(CC(O)\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3,"InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h13,16,18,20,22,24,31,34H,8-12,14-15H2,1-7H3,(H,35,36)/b17-13+",AUAXRALNWSHMRJ,GHRIWEEISA,N,Ganolucidic acid D,AUAXRALNWSHMRJ-GHRIWEEISA-N
HMDB35300,416.329045274,C27H44O3,CCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-27(29)23-20-25-18-21-26(28)22-19-25/h18-23,28H,2-17,24H2,1H3/b23-20+",SXXOKKBSVARFFB,BSYVCWPDSA,N,Octadecyl cis-p-coumarate,SXXOKKBSVARFFB-BSYVCWPDSA-N
HMDB35301,236.177630012,C15H24O2,CC(=C)C1CCC2(C)CCC(O)C3(C)OC23C1,"InChI=1S/C15H24O2/c1-10(2)11-5-7-13(3)8-6-12(16)14(4)15(13,9-11)17-14/h11-12,16H,1,5-9H2,2-4H3",AXKKANUAFIGTQI,UHFFFAOYSA,N,"4alpha,5alpha-Epoxy-11-eudesmen-3a-ol",AXKKANUAFIGTQI-UHFFFAOYSA-N
HMDB35302,500.31378914,C30H44O6,CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3,"InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)",XRXBNTYHQXKSAO,UHFFFAOYSA,N,Ganolucidic acid A,XRXBNTYHQXKSAO-UHFFFAOYSA-N
HMDB35303,206.057908808,C11H10O4,COC1=C2OCOC2=CC(\C=C\C=O)=C1,"InChI=1S/C11H10O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-6H,7H2,1H3/b3-2+",IQMBSQBMNIILBR,NSCUHMNNSA,N,"3-Methoxy-4,5-methylenedioxycinnamaldehyde",IQMBSQBMNIILBR-NSCUHMNNSA-N
HMDB35304,518.324353826,C30H46O7,CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C30H46O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-23,32,34-35H,8-14H2,1-7H3,(H,36,37)",RERVSJVGWKIGTJ,UHFFFAOYSA,N,Ganoderic acid C2,RERVSJVGWKIGTJ-UHFFFAOYSA-N
HMDB35305,638.242199918,C27H42O17,CC(C)CC(=O)OC1OC=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C3OC3C(O)(CO)C12,"InChI=1S/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3",ZTHFWSGQXKJHJD,UHFFFAOYSA,N,Kanokoside C,ZTHFWSGQXKJHJD-UHFFFAOYSA-N
HMDB35306,220.18271539,C15H24O,CC(C)C1CCC(C)(C=C)C(C(C)=C)C1=O,"InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3",GWHRSRIPLDHJHR,UHFFFAOYSA,N,Epishyobunone,GWHRSRIPLDHJHR-UHFFFAOYSA-N
HMDB35307,156.115029756,C9H16O2,CCCCC1OC(=O)CC1C,"InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3",WNVCMFHPRIBNCW,UHFFFAOYSA,N,Quercuslactone a,WNVCMFHPRIBNCW-UHFFFAOYSA-N
HMDB35309,252.172544634,C15H24O3,CC1=C2C(O)C(CCC2(C)CCC1=O)C(C)(C)O,"InChI=1S/C15H24O3/c1-9-11(16)6-8-15(4)7-5-10(14(2,3)18)13(17)12(9)15/h10,13,17-18H,5-8H2,1-4H3",SFZZQUDRSYFRDA,UHFFFAOYSA,N,6alpha-Carissanol,SFZZQUDRSYFRDA-UHFFFAOYSA-N
HMDB35310,532.303618384,C30H44O8,CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O,"InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-21,32,34,38H,8-14H2,1-7H3,(H,36,37)",ZWMMEKXOLCCKLA,UHFFFAOYSA,N,Ganoderic acid I,ZWMMEKXOLCCKLA-UHFFFAOYSA-N
HMDB35311,318.219494826,C20H30O3,CC1(C)CCCC2(C)C1CCC1(C=O)C2CC=C(CC1O)C=O,"InChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)15(18)7-10-20(13-22)16(19)6-5-14(12-21)11-17(20)23/h5,12-13,15-17,23H,4,6-11H2,1-3H3",UDKRLAJJSYRYRU,UHFFFAOYSA,N,Galanal A,UDKRLAJJSYRYRU-UHFFFAOYSA-N
HMDB35312,808.49729239,C44H72O13,COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(COC(C)=O)C(O)C(O)C1O,"InChI=1S/C44H72O13/c1-22(2)12-11-13-23(3)32-29(55-40-37(51)35(49)34(48)30(56-40)21-53-24(4)45)19-44(9)38-28(52-10)18-26-25(42(38,7)16-17-43(32,44)8)14-15-31(41(26,5)6)57-39-36(50)33(47)27(46)20-54-39/h12,18,23,25,27-40,46-51H,11,13-17,19-21H2,1-10H3",PEVRNEDRRNBORS,UHFFFAOYSA,N,Hebevinoside I,PEVRNEDRRNBORS-UHFFFAOYSA-N
HMDB35313,512.350174646,C32H48O5,CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C32H48O5/c1-19(28(35)36)9-11-25(37-21(3)33)20(2)22-13-17-32(8)24-10-12-26-29(4,5)27(34)15-16-30(26,6)23(24)14-18-31(22,32)7/h9-10,14,20,22,25-27,34H,11-13,15-18H2,1-8H3,(H,35,36)/b19-9+",FRRMMEJOPQSLSE,DJKKODMXSA,N,Ganoderic acid S,FRRMMEJOPQSLSE-DJKKODMXSA-N
HMDB35314,440.36543078,C30H48O2,CC(CC\C=C(/C)CO)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25-26,31-32H,8,10,12-13,15-19H2,1-7H3/b20-9+",AOXXVRDKZLRGTJ,AWQFTUOYSA,N,Ganoderol B,AOXXVRDKZLRGTJ-AWQFTUOYSA-N
HMDB35315,456.360345402,C30H48O3,CC(CCC=C(CO)CO)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C30H48O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25-26,31-33H,7-8,11-12,14-19H2,1-6H3",LIJZGBVDQCTWLG,UHFFFAOYSA,N,Ganodermatriol,LIJZGBVDQCTWLG-UHFFFAOYSA-N
HMDB35316,568.428031036,C40H56O2,C/C(/C=C/C=C(/C)\C=C/C12OC1(C)CCCC2(C)C)=C\C=C/C=C(\C)/C=C/C=C(/C)C1OC2(C)CCCC(C)(C)C2=C1,"InChI=1S/C40H56O2/c1-30(19-13-20-32(3)23-28-40-37(7,8)25-16-27-39(40,10)42-40)17-11-12-18-31(2)21-14-22-33(4)34-29-35-36(5,6)24-15-26-38(35,9)41-34/h11-14,17-23,28-29,34H,15-16,24-27H2,1-10H3/b12-11-,19-13+,21-14+,28-23-,30-17+,31-18+,32-20-,33-22-",HSOIPJLINDKQOV,VCAYJPBHSA,N,"(5R,5'R,6S,8'R)-Luteochrome",HSOIPJLINDKQOV-VCAYJPBHSA-N
HMDB35317,394.214409448,C25H30O4,COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(O)=O,"InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15-",RAFGELQLHMBRHD,SLEZCNMESA,N,alpha-Bixin,RAFGELQLHMBRHD-SLEZCNMESA-N
HMDB35318,432.126776232,C18H24O12,OCC1(O)COC(OCC2OC(OC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C1O,"InChI=1S/C18H24O12/c19-6-18(26)7-28-17(14(18)24)27-5-10-11(21)12(22)13(23)16(29-10)30-15(25)8-1-3-9(20)4-2-8/h1-4,10-14,16-17,19-24,26H,5-7H2",QDXPYWCJJZAQEN,UHFFFAOYSA,N,Apiosylglucosyl 4-hydroxybenzoate,QDXPYWCJJZAQEN-UHFFFAOYSA-N
HMDB35319,584.422945658,C40H56O3,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C\C=C(\C)/C=C/C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O,"InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,22-21+,24-23+,29-15+,30-16-,31-19+,32-20-",LMIFPRVTIOZTJN,NYORYHGYSA,N,Cucurbitaxanthin A,LMIFPRVTIOZTJN-NYORYHGYSA-N
HMDB35320,600.41786028,C40H56O4,C\C(\C=C\C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C)=C/C=C\C=C(\C)/C=C/C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-36(7,8)27-34(43-39)28-37(39,9)42)15-11-12-16-30(2)18-14-20-32(4)22-24-40-35(5,6)25-33(41)26-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15-,30-16+,31-19-,32-20+",WBXYNQBROQPCES,CIGGGVHVSA,N,Cucurbitaxanthin B,WBXYNQBROQPCES-CIGGGVHVSA-N
HMDB35321,356.13186161,C13H24O11,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O,"InChI=1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13+/m1/s1",WFSVEMFCPALUBB,DVLBVPSGSA,N,Galactopinitol B,WFSVEMFCPALUBB-DVLBVPSGSA-N
HMDB35322,504.169034976,C18H32O16,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C18H32O16/c19-1-3-5(20)7(22)14(29)17(32-3)31-2-4-6(21)8(23)15(30)18(33-4)34-16-12(27)10(25)9(24)11(26)13(16)28/h3-30H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12+,13+,14-,15-,16-,17+,18-/m1/s1",MWNCPUNLDATDBW,AKBNUTDMSA,N,Fagopyritol B2,MWNCPUNLDATDBW-AKBNUTDMSA-N
HMDB35323,666.221858406,C24H42O21,OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@H]4[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C24H42O21/c25-1-4-7(26)10(29)18(37)22(42-4)40-2-5-8(27)11(30)19(38)23(43-5)41-3-6-9(28)12(31)20(39)24(44-6)45-21-16(35)14(33)13(32)15(34)17(21)36/h4-39H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12+,13-,14-,15-,16+,17+,18-,19-,20-,21-,22+,23+,24-/m1/s1",XCUQINBMYSWRHJ,DLRKVQIZSA,N,Fagopyritol B3,XCUQINBMYSWRHJ-DLRKVQIZSA-N
HMDB35324,458.375995466,C30H50O3,CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23-25,31-33H,9,11-13,15-18H2,1-8H3",BLTRPNNWBNKAEH,UHFFFAOYSA,N,Lucidumol B,BLTRPNNWBNKAEH-UHFFFAOYSA-N
HMDB35325,530.28796832,C30H42O8,CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O,"InChI=1S/C30H42O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-20,32,38H,8-14H2,1-7H3,(H,36,37)",XXHBQOHASACCAP,UHFFFAOYSA,N,Ganoderic acid N,XXHBQOHASACCAP-UHFFFAOYSA-N
HMDB35326,474.370910088,C30H50O4,CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C30H50O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23-25,31-34H,8,10-12,14-18H2,1-7H3",VMEFPSOTFFVAQJ,UHFFFAOYSA,N,Ganoderiol A,VMEFPSOTFFVAQJ-UHFFFAOYSA-N
HMDB35327,470.33960996,C30H46O4,CC(CCC=C(CO)CO)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C,"InChI=1S/C30H46O4/c1-19(8-7-9-20(17-31)18-32)23-16-26(34)30(6)22-10-11-24-27(2,3)25(33)13-14-28(24,4)21(22)12-15-29(23,30)5/h9-10,12,19,23-24,26,31-32,34H,7-8,11,13-18H2,1-6H3",SZCAPUAJXOKPIR,UHFFFAOYSA,N,Ganoderiol B,SZCAPUAJXOKPIR-UHFFFAOYSA-N
HMDB35328,166.099379692,C10H14O2,CC(C)CCC(=O)C1=COC=C1,"InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3",LVHLZMUFIYAEQB,UHFFFAOYSA,N,Perilla ketone,LVHLZMUFIYAEQB-UHFFFAOYSA-N
HMDB35329,572.371304018,C34H52O7,CC(CC\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3OC(C)=O,"InChI=1S/C34H52O7/c1-19(11-10-12-20(2)30(38)39)24-17-27(37)34(9)29-23(13-16-33(24,34)8)32(7)15-14-28(41-22(4)36)31(5,6)26(32)18-25(29)40-21(3)35/h12,19,24-28,37H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12-",JBMVFHJFFZPAJI,NDENLUEZSA,N,Ganoderic acid Ma,JBMVFHJFFZPAJI-NDENLUEZSA-N
HMDB35330,512.350174646,C32H48O5,CC(CC\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O,"InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-26(34)32(8)23-12-13-25-29(4,5)27(37-21(3)33)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+",NXZJPJLQVAKBTH,RGVLZGJSSA,N,Ganoderic acid Mf,NXZJPJLQVAKBTH-RGVLZGJSSA-N
HMDB35331,586.386954082,C35H54O7,COC1CC2C(C)(C)C(CCC2(C)C2=C1C1(C)CCC(C(C)C(C\C=C(\C)C(O)=O)OC(C)=O)C1(C)CC2)OC(C)=O,"InChI=1S/C35H54O7/c1-20(31(38)39)11-12-26(41-22(3)36)21(2)24-13-18-35(9)30-25(14-17-34(24,35)8)33(7)16-15-29(42-23(4)37)32(5,6)28(33)19-27(30)40-10/h11,21,24,26-29H,12-19H2,1-10H3,(H,38,39)/b20-11-",UBGHTOOEMRLEGM,JAIQZWGSSA,N,Ganoderic acid Md,UBGHTOOEMRLEGM-JAIQZWGSSA-N
HMDB35332,512.350174646,C32H48O5,CC(CC\C=C(/C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+",YCWGPALSXRBKTM,RGVLZGJSSA,N,Ganoderic acid X,YCWGPALSXRBKTM-RGVLZGJSSA-N
HMDB35333,554.360739332,C34H50O6,CC(CC\C=C(/C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O,"InChI=1S/C34H50O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12-13,15,20,26-29H,10-11,14,16-19H2,1-9H3,(H,37,38)/b21-12+",OTUZGGSAOMCYNC,CIAFOILYSA,N,Ganoderic acid Me,OTUZGGSAOMCYNC-CIAFOILYSA-N
HMDB35334,470.33960996,C30H46O4,CC(CC\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C30H46O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-25,31-32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+",VFCVARJMDQZNKD,VXLYETTFSA,N,Ganodermic acid Jb,VFCVARJMDQZNKD-VXLYETTFSA-N
HMDB35335,528.345089268,C32H48O6,CC(C(O)C\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O,"InChI=1S/C32H48O6/c1-18(28(36)37)9-11-24(34)19(2)23-17-26(35)32(8)22-10-12-25-29(4,5)27(38-20(3)33)14-15-30(25,6)21(22)13-16-31(23,32)7/h9-10,13,19,23-27,34-35H,11-12,14-17H2,1-8H3,(H,36,37)/b18-9+",VMVPNJFQQSEVKB,GIJQJNRQSA,N,"(24E)-3alpha-Acetoxy-15alpha,22S-dihydroxylanosta-7,9(11),24-trien-26-oic acid",VMVPNJFQQSEVKB-GIJQJNRQSA-N
HMDB35336,630.376783326,C36H54O9,CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(OC(C)=O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3O,"InChI=1S/C36H54O9/c1-19(32(41)42)11-12-27(43-21(3)37)20(2)25-17-30(45-23(5)39)36(10)31-24(13-16-35(25,36)9)34(8)15-14-29(44-22(4)38)33(6,7)28(34)18-26(31)40/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+",CJPRYGHXZADIKU,YBFXNURJSA,N,Ganoderic acid Mb,CJPRYGHXZADIKU-YBFXNURJSA-N
HMDB35337,310.214409448,C18H30O4,CC(=O)\C=C\C1C(C)(O)C(O)C(O)C2C(C)(C)CCCC12C,"InChI=1S/C18H30O4/c1-11(19)7-8-12-17(4)10-6-9-16(2,3)14(17)13(20)15(21)18(12,5)22/h7-8,12-15,20-22H,6,9-10H2,1-5H3/b8-7+",GUVJPXABQYFWPD,BQYQJAHWSA,N,Sterebin A,GUVJPXABQYFWPD-BQYQJAHWSA-N
HMDB35338,352.224974134,C20H32O5,CC(=O)OC1C(O)C(C)(O)C(\C=C\C(C)=O)C2(C)CCCC(C)(C)C12,"InChI=1S/C20H32O5/c1-12(21)8-9-14-19(5)11-7-10-18(3,4)16(19)15(25-13(2)22)17(23)20(14,6)24/h8-9,14-17,23-24H,7,10-11H2,1-6H3/b9-8+",BNOWPELKBYSHKU,CMDGGOBGSA,N,Sterebin B,BNOWPELKBYSHKU-CMDGGOBGSA-N
HMDB35339,352.224974134,C20H32O5,CC(=O)OC1C(O)C2C(C)(C)CCCC2(C)C(\C=C\C(C)=O)C1(C)O,"InChI=1S/C20H32O5/c1-12(21)8-9-14-19(5)11-7-10-18(3,4)16(19)15(23)17(20(14,6)24)25-13(2)22/h8-9,14-17,23-24H,7,10-11H2,1-6H3/b9-8+",ZFSCNCIWZXOGNL,CMDGGOBGSA,N,Sterebin C,ZFSCNCIWZXOGNL-CMDGGOBGSA-N
HMDB35340,544.376389396,C33H52O6,COC1CC2C(C)(C)C(CCC2(C)C2=C1C1(C)C(O)CC(C(C)CC\C=C(\C)C(O)=O)C1(C)CC2)OC(C)=O,"InChI=1S/C33H52O6/c1-19(11-10-12-20(2)29(36)37)23-17-26(35)33(8)28-22(13-16-32(23,33)7)31(6)15-14-27(39-21(3)34)30(4,5)25(31)18-24(28)38-9/h12,19,23-27,35H,10-11,13-18H2,1-9H3,(H,36,37)/b20-12-",DOGNEMJACWRRLK,NDENLUEZSA,N,Ganoderic acid Mi,DOGNEMJACWRRLK-NDENLUEZSA-N
HMDB35341,1022.508644936,C52H78O20,COC(=O)C1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)C(OC(=O)C(\C)=C/C)C(OC(=O)C(\C)=C/C)C3(CO)C(O)C(O)C12C)OC1OC(C(O)C(OC2OCC(O)C(O)C2O)C1O)C(O)=O,"InChI=1S/C52H78O20/c1-12-23(3)42(63)71-39-40(72-43(64)24(4)13-2)52(22-53)26(20-47(39,5)6)25-14-15-28-48(7)18-17-30(50(9,46(65)66-11)29(48)16-19-49(28,8)51(25,10)37(59)38(52)60)68-45-34(58)35(33(57)36(70-45)41(61)62)69-44-32(56)31(55)27(54)21-67-44/h12-14,26-40,44-45,53-60H,15-22H2,1-11H3,(H,61,62)/b23-12-,24-13-",VXQCKKNUNHNYPF,KBZHBASMSA,N,TR-Saponin A,VXQCKKNUNHNYPF-KBZHBASMSA-N
HMDB35342,1024.524295,C52H80O20,CCC(C)C(=O)OC1C(OC(=O)C(\C)=C/C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(C5CCC4(C)C3(C)C(O)C(O)C12CO)C(=O)OC,"InChI=1S/C52H80O20/c1-12-23(3)42(63)71-39-40(72-43(64)24(4)13-2)52(22-53)26(20-47(39,5)6)25-14-15-28-48(7)18-17-30(50(9,46(65)66-11)29(48)16-19-49(28,8)51(25,10)37(59)38(52)60)68-45-34(58)35(33(57)36(70-45)41(61)62)69-44-32(56)31(55)27(54)21-67-44/h12,14,24,26-40,44-45,53-60H,13,15-22H2,1-11H3,(H,61,62)/b23-12-",LRIKDQQTBDULPI,FMCGGJTJSA,N,TR-Saponin B,LRIKDQQTBDULPI-FMCGGJTJSA-N
HMDB35343,1066.534859686,C54H82O21,CCC(C)C(=O)OC1C(OC(=O)C(\C)=C/C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(C5CCC4(C)C3(C)C(O)C(OC(C)=O)C12CO)C(=O)OC,"InChI=1S/C54H82O21/c1-13-24(3)44(65)74-41-42(75-45(66)25(4)14-2)54(23-55)28(21-49(41,6)7)27-15-16-30-50(8)19-18-32(52(10,48(67)68-12)31(50)17-20-51(30,9)53(27,11)39(62)40(54)70-26(5)56)71-47-36(61)37(35(60)38(73-47)43(63)64)72-46-34(59)33(58)29(57)22-69-46/h13,15,25,28-42,46-47,55,57-62H,14,16-23H2,1-12H3,(H,63,64)/b24-13-",SPHKOEYMOPNIIA,CFRMEGHHSA,N,TR-Saponin C,SPHKOEYMOPNIIA-CFRMEGHHSA-N
HMDB35344,976.524295,C48H80O20,CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3CCC4C(=CCC5C6(C)CC(O)C(C(C)(O)C(O)CCC(C)(C)O)C6(C)CC(=O)C45C)C3(C)C)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C48H80O20/c1-20-30(53)32(55)36(59)41(64-20)68-38-25(19-63-40-35(58)33(56)31(54)24(18-49)65-40)66-42(37(60)34(38)57)67-29-13-11-22-21(44(29,4)5)10-12-26-45(6)16-23(50)39(46(45,7)17-28(52)47(22,26)8)48(9,62)27(51)14-15-43(2,3)61/h10,20,22-27,29-42,49-51,53-62H,11-19H2,1-9H3",SDJJKTYFMLJFRO,UHFFFAOYSA,N,"(3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[rhamnosyl-(1->4)-[glucosyl-(1->6)]-glucoside]",SDJJKTYFMLJFRO-UHFFFAOYSA-N
HMDB35345,830.466386192,C42H70O16,CC(C)(O)CCC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C,"InChI=1S/C42H70O16/c1-37(2,53)14-13-25(45)42(8,54)34-21(44)15-39(5)24-11-9-19-20(41(24,7)26(46)16-40(34,39)6)10-12-27(38(19,3)4)58-36-33(52)31(50)29(48)23(57-36)18-55-35-32(51)30(49)28(47)22(17-43)56-35/h9,20-25,27-36,43-45,47-54H,10-18H2,1-8H3",RLSXWJUYUFUJLU,UHFFFAOYSA,N,"(3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[glucosyl-(1->6)-glucoside]",RLSXWJUYUFUJLU-UHFFFAOYSA-N
HMDB35346,710.424127448,C38H62O12,CC(=O)OC(C)(C)CCC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C,"InChI=1S/C38H62O12/c1-19(40)50-33(2,3)15-14-25(42)38(9,47)31-22(41)16-35(6)24-12-10-20-21(37(24,8)26(43)17-36(31,35)7)11-13-27(34(20,4)5)49-32-30(46)29(45)28(44)23(18-39)48-32/h10,21-25,27-32,39,41-42,44-47H,11-18H2,1-9H3",MLRANCIIGOHULD,UHFFFAOYSA,N,"(3b,16a,20R)-25-Acetoxy-3,16,20,22-tetrahydroxy-5-cucurbiten-11-one 3-glucoside",MLRANCIIGOHULD-UHFFFAOYSA-N
HMDB35347,1094.587289186,C53H90O23,CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC3C5(C)CCC(O)C(C)(C)C5C(CC43C)OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C53H90O23/c1-22(2)11-10-13-52(9,76-47-41(75-46-40(67)36(63)33(60)27(19-54)73-46)37(64)34(61)28(74-47)21-70-44-39(66)35(62)31(58)23(3)71-44)53(68)16-15-50(7)42(53)24(55)17-29-49(6)14-12-30(57)48(4,5)43(49)26(18-51(29,50)8)72-45-38(65)32(59)25(56)20-69-45/h11,23-47,54-68H,10,12-21H2,1-9H3",OZEDEQJLFBHIEM,UHFFFAOYSA,N,"(3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] 6-xyloside",OZEDEQJLFBHIEM-UHFFFAOYSA-N
HMDB35348,948.529380378,C47H80O19,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1(O)CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OCC(O)C(O)C1O,"InChI=1S/C47H80O19/c1-21(2)10-9-12-46(8,66-41-36(33(57)31(55)26(19-49)64-41)65-40-35(59)32(56)30(54)25(18-48)63-40)47(60)15-14-44(6)37(47)22(50)16-27-43(5)13-11-28(52)42(3,4)38(43)24(17-45(27,44)7)62-39-34(58)29(53)23(51)20-61-39/h10,22-41,48-60H,9,11-20H2,1-8H3",CXXVAICRCFBOHJ,UHFFFAOYSA,N,"(3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-glucoside] 6-xyloside",CXXVAICRCFBOHJ-UHFFFAOYSA-N
HMDB35349,1124.597853872,C54H92O24,CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC3C5(C)CCC(O)C(C)(C)C5C(CC43C)OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C54H92O24/c1-22(2)11-10-13-53(9,78-48-42(77-47-41(69)37(65)33(61)27(20-56)75-47)38(66)34(62)28(76-48)21-71-45-39(67)35(63)31(59)23(3)72-45)54(70)16-15-51(7)43(54)24(57)17-29-50(6)14-12-30(58)49(4,5)44(50)25(18-52(29,51)8)73-46-40(68)36(64)32(60)26(19-55)74-46/h11,23-48,55-70H,10,12-21H2,1-9H3",XKRVXEKRWHROIF,UHFFFAOYSA,N,"(3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] 6-glucoside",XKRVXEKRWHROIF-UHFFFAOYSA-N
HMDB35350,1418.692936046,C65H110O33,CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC3C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5C(CC43C)OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C65H110O33/c1-24(2)11-10-13-64(9,98-59-51(97-58-50(85)43(78)38(73)30(20-67)93-58)45(80)40(75)32(95-59)23-88-54-47(82)41(76)35(70)25(3)90-54)65(86)16-15-62(7)52(65)26(68)17-33-61(6)14-12-34(60(4,5)53(61)28(18-63(33,62)8)91-55-46(81)36(71)27(69)21-87-55)96-57-49(84)44(79)39(74)31(94-57)22-89-56-48(83)42(77)37(72)29(19-66)92-56/h11,25-59,66-86H,10,12-23H2,1-9H3",SKEFDZGMYDGFOO,UHFFFAOYSA,N,"(3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] 3-[glucosyl-(1->6)-glucoside] 6-xyloside",SKEFDZGMYDGFOO-UHFFFAOYSA-N
HMDB35351,222.198365454,C15H26O,CC(C)C1(O)CCC2(C)CC=C(C)CCC12,"InChI=1S/C15H26O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,11,13,16H,5-6,8-10H2,1-4H3",HTJLBKLQZZOCAC,UHFFFAOYSA,N,4beta-8-Daucen-4-ol,HTJLBKLQZZOCAC-UHFFFAOYSA-N
HMDB35352,540.18429111,C25H32O13,COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC(=O)OCCC1=CC(O)=C(O)C=C1,"InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,13-14,18,20-22,24-28,30-32H,1,6-7,9-10H2,2H3",WWKVQWHAWPZZDB,UHFFFAOYSA,N,Oleuroside,WWKVQWHAWPZZDB-UHFFFAOYSA-N
HMDB35353,456.360345402,C30H48O3,CC(CCC1OC1(C)CO)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C30H48O3/c1-19(8-11-25-30(7,18-31)33-25)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23-25,31-32H,8,10-12,14-18H2,1-7H3",DDRCMNMGPGTECR,UHFFFAOYSA,N,Epoxyganoderiol C,DDRCMNMGPGTECR-UHFFFAOYSA-N
HMDB35354,544.376389396,C33H52O6,COC1CC2C(C)(C)C(O)CCC2(C)C2=C1C1(C)CCC(C(C)C(C\C=C(\C)C(O)=O)OC(C)=O)C1(C)CC2,"InChI=1S/C33H52O6/c1-19(29(36)37)10-11-24(39-21(3)34)20(2)22-12-17-33(8)28-23(13-16-32(22,33)7)31(6)15-14-27(35)30(4,5)26(31)18-25(28)38-9/h10,20,22,24-27,35H,11-18H2,1-9H3,(H,36,37)/b19-10-",HOOKULHKMWTXDO,GRSHGNNSSA,N,Ganoderic acid Mj,HOOKULHKMWTXDO-GRSHGNNSSA-N
HMDB35355,440.36543078,C30H48O2,CC(C)C1=C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1=O,"InChI=1S/C30H48O2/c1-18(2)24-20(31)17-27(5)15-16-29(7)19(25(24)27)9-10-22-28(6)13-12-23(32)26(3,4)21(28)11-14-30(22,29)8/h18-19,21-23,32H,9-17H2,1-8H3",FLGCQFQUEPUAMZ,UHFFFAOYSA,N,3beta-3-Hydroxy-18-lupen-21-one,FLGCQFQUEPUAMZ-UHFFFAOYSA-N
HMDB35356,1080.586895256,C56H88O20,C\C(=C/CCC(C)(O)C=C)C(=O)OC1CC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2CC1(C)C)C(O)=O,"InChI=1S/C56H88O20/c1-11-52(7,69)18-12-13-27(2)45(66)74-37-23-56(49(67)68)29(21-50(37,3)4)28-14-15-34-53(8)19-17-36(51(5,6)33(53)16-20-54(34,9)55(28,10)22-35(56)59)75-47-43(65)41(63)40(62)32(73-47)26-72-48-44(39(61)31(58)25-71-48)76-46-42(64)38(60)30(57)24-70-46/h11,13-14,29-44,46-48,57-65,69H,1,12,15-26H2,2-10H3,(H,67,68)/b27-13+",YUSORMABKYDIFX,UVHMKAGCSA,N,Pithecelloside,YUSORMABKYDIFX-UVHMKAGCSA-N
HMDB35357,324.1572885,C17H24O6,CC1CCCC2(C)OC2C(O)C2C(OC(=O)C2=C)C1OC(C)=O,"InChI=1S/C17H24O6/c1-8-6-5-7-17(4)15(23-17)12(19)11-9(2)16(20)22-14(11)13(8)21-10(3)18/h8,11-15,19H,2,5-7H2,1,3-4H3",ZZIWIHVMLLHIPS,UHFFFAOYSA,N,Blumealactone C,ZZIWIHVMLLHIPS-UHFFFAOYSA-N
HMDB35358,250.15689457,C15H22O3,CC(CC(=O)CC1(C)C2CC3C(C2)C13C)C(O)=O,"InChI=1S/C15H22O3/c1-8(13(17)18)4-10(16)7-14(2)9-5-11-12(6-9)15(11,14)3/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)",PJKNORSNWWYCMC,UHFFFAOYSA,N,Ketosantalic acid,PJKNORSNWWYCMC-UHFFFAOYSA-N
HMDB35359,163.084457909,C6H13NO4,OCC1NCC(O)C(O)C1O,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2",LXBIFEVIBLOUGU,UHFFFAOYSA,N,1-Deoxynojirimycin,LXBIFEVIBLOUGU-UHFFFAOYSA-N
HMDB35360,177.100107973,C7H15NO4,CN1CC(O)C(O)C(O)C1CO,"InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3",AAKDPDFZMNYDLR,UHFFFAOYSA,N,N-Methyl-1-deoxynojirimycin,AAKDPDFZMNYDLR-UHFFFAOYSA-N
HMDB35361,204.187800768,C15H24,CC(C)C1=C2CCC(C)=CCC2(C)CC1,"InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,11H,5-6,8-10H2,1-4H3",MGMBZNCFUFRSSP,UHFFFAOYSA,N,Daucene,MGMBZNCFUFRSSP-UHFFFAOYSA-N
HMDB35362,770.481642326,C41H70O13,CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3",FNIRVWPHRMMRQI,UHFFFAOYSA,N,Notoginsenoside R2,FNIRVWPHRMMRQI-UHFFFAOYSA-N
HMDB35363,932.534465756,C47H80O18,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3",LLPWNQMSUYAGQI,UHFFFAOYSA,N,Notoginsenoside R1,LLPWNQMSUYAGQI-UHFFFAOYSA-N
HMDB35364,222.198365454,C15H26O,C[C@@H](CCC=C(C)C)[C@@]1(O)CCC(C)=CC1,"InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15-/m0/s1",WTVHAMTYZJGJLJ,GJZGRUSLSA,N,6-Epi-beta-bisabolol,WTVHAMTYZJGJLJ-GJZGRUSLSA-N
HMDB35365,170.13067982,C10H18O2,CC1(C)OC(C)(CCC1O)C=C,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3",BCTBAGTXFYWYMW,UHFFFAOYSA,N,Cnidiol C,BCTBAGTXFYWYMW-UHFFFAOYSA-N
HMDB35366,451.272258677,C28H37NO4,CC1C\C=C\C2C(O)C(C)=C(C)C3C(CC4=CC=CC=C4)NC(=O)C23C(O)\C=C/C(C)(O)C1,"InChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17,21-25,30-31,33H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13-",UMHVFKLUODBPSC,JUDANRDHSA,N,Cytochalasin Opho,UMHVFKLUODBPSC-JUDANRDHSA-N
HMDB35367,493.282823363,C30H39NO5,CC1C\C=C\C2C(O)C(C)=C(C)C3C(CC4=CC=CC=C4)NC(=O)C23C(OC(C)=O)\C=C/C(C)(O)C1,"InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18,23-27,33,35H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14-",WFSYATBEJTUDQA,WISUYLHISA,N,Cytochalasin Npho,WFSYATBEJTUDQA-WISUYLHISA-N
HMDB35368,511.293388049,C30H41NO6,CC1C2C(CC3=CC=CC=C3)NC(=O)C22C(\C=C\CC(C)CC(C)(O)\C=C/C2OC(C)=O)C(O)C1(C)O,"InChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14-",AVASIWUXPVFFGK,WISUYLHISA,N,Cytochalasin Ppho,AVASIWUXPVFFGK-WISUYLHISA-N
HMDB35369,420.178417872,C22H28O8,COC1=CC(=O)OC(\C=C/C=C/C=C\C2(C)OC3(C)C(O)OC(C)(C3O)C2O)=C1C,"InChI=1S/C22H28O8/c1-13-14(28-16(23)12-15(13)27-5)10-8-6-7-9-11-20(2)17(24)21(3)18(25)22(4,30-20)19(26)29-21/h6-12,17-19,24-26H,1-5H3/b7-6+,10-8-,11-9-",IQOXOOYMXWDCEG,LXKJUNEMSA,N,Citreoviridinol A1,IQOXOOYMXWDCEG-LXKJUNEMSA-N
HMDB35370,487.124036578,C24H23O11,CC1=CC2=C3C(OC(C4=CC(O)=C(O)C=C4)=C2OC2OC(CO)C(O)C(O)C2O)=CC(O)=CC3=[O+]1,"InChI=1S/C24H22O11/c1-9-4-12-18-15(32-9)6-11(26)7-16(18)33-22(10-2-3-13(27)14(28)5-10)23(12)35-24-21(31)20(30)19(29)17(8-25)34-24/h2-7,17,19-21,24-25,29-31H,8H2,1H3,(H2-,26,27,28)/p+1",FQMKQDJWNWBOMF,UHFFFAOYSA,O,Pyranocyanin B,FQMKQDJWNWBOMF-UHFFFAOYSA-O
HMDB35371,354.146723814,C21H22O5,COC1=C(\C=C\C(=O)C2=CC=C(O)C=C2)C=CC2=C1CC(O2)C(C)(C)O,"InChI=1S/C21H22O5/c1-21(2,24)19-12-16-18(26-19)11-7-14(20(16)25-3)6-10-17(23)13-4-8-15(22)9-5-13/h4-11,19,22,24H,12H2,1-3H3/b10-6+",FMKHMNBODOXQLQ,UXBLZVDNSA,N,Licoagrochalcone D,FMKHMNBODOXQLQ-UXBLZVDNSA-N
HMDB35372,728.298533006,C45H44O9,CC(C)=CCC1=C(O)C=CC(=C1)C12OC34C(OC5=C3C=CC(O)=C5CC=C(C)C)OC3=CC(O)=CC=C3C4C1C(=O)C1=CC(CC=C(C)C)=C(O)C=C1O2,"InChI=1S/C45H44O9/c1-23(2)7-10-26-19-28(12-17-34(26)47)45-40(41(50)32-20-27(11-8-24(3)4)36(49)22-38(32)53-45)39-31-15-13-29(46)21-37(31)51-43-44(39,54-45)33-16-18-35(48)30(42(33)52-43)14-9-25(5)6/h7-9,12-13,15-22,39-40,43,46-49H,10-11,14H2,1-6H3",IUNNUKJWKPJUCQ,UHFFFAOYSA,N,Licoagrodin,IUNNUKJWKPJUCQ-UHFFFAOYSA-N
HMDB35373,338.115423686,C20H18O5,CC(C)=CCC1=C(O)C=CC2=C1O\C(=C/C1=CC(O)=C(O)C=C1)C2=O,"InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-19(24)18(25-20(13)14)10-12-4-7-16(22)17(23)9-12/h3-4,6-10,21-23H,5H2,1-2H3/b18-10-",GKIZWUHTCYQZHL,ZDLGFXPLSA,N,Licoagroaurone,GKIZWUHTCYQZHL-ZDLGFXPLSA-N
HMDB35374,552.381474774,C35H52O5,CC(C)C(=O)C12C(=O)C3(CC=C(C)C)OC1(O)C(CC=C(C)C)(CC(CC=C(C)C)C2(C)CCC=C(C)C)C3=O,"InChI=1S/C35H52O5/c1-22(2)13-12-18-31(11)27(15-14-23(3)4)21-32(19-16-24(5)6)29(37)33(20-17-25(7)8)30(38)34(31,28(36)26(9)10)35(32,39)40-33/h13-14,16-17,26-27,39H,12,15,18-21H2,1-11H3",IFUPNXPBDBNEAO,UHFFFAOYSA,N,Oxepahyperforin,IFUPNXPBDBNEAO-UHFFFAOYSA-N
HMDB35375,194.13067982,C12H18O2,CCOC(=O)\C=C\C=C\C\C=C/CC,"InChI=1S/C12H18O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h5-6,8-11H,3-4,7H2,1-2H3/b6-5-,9-8+,11-10+",KRCQDQXKPOKJOE,APXPRGKNSA,N,"Ethyl (2E,4E,7Z)-Decatrienoate",KRCQDQXKPOKJOE-APXPRGKNSA-N
HMDB35376,194.13067982,C12H18O2,CCOC(=O)\C=C\C=C/C\C=C/CC,"InChI=1S/C12H18O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h5-6,8-11H,3-4,7H2,1-2H3/b6-5-,9-8-,11-10+",KRCQDQXKPOKJOE,GCTHIBTKSA,N,"Ethyl (2E,4Z,7Z)-Decatrienoate",KRCQDQXKPOKJOE-GCTHIBTKSA-N
HMDB35379,338.245709576,C20H34O4,C\C(=C\CO)\C=C\C1C(C)(O)C(O)C(O)C2C(C)(C)CCCC12C,"InChI=1S/C20H34O4/c1-13(9-12-21)7-8-14-19(4)11-6-10-18(2,3)16(19)15(22)17(23)20(14,5)24/h7-9,14-17,21-24H,6,10-12H2,1-5H3/b8-7+,13-9-",RMAJUEUHZWCNQM,UFVXJIOISA,N,Sterebin E,RMAJUEUHZWCNQM-UFVXJIOISA-N
HMDB35380,354.240624198,C20H34O5,CC1(C)CCCC2(C)C(\C=C\C(=C)C(O)CO)C(C)(O)C(O)C(O)C12,"InChI=1S/C20H34O5/c1-12(13(22)11-21)7-8-14-19(4)10-6-9-18(2,3)16(19)15(23)17(24)20(14,5)25/h7-8,13-17,21-25H,1,6,9-11H2,2-5H3/b8-7+",VJXXTZUXTRIHAZ,BQYQJAHWSA,N,Sterebin G,VJXXTZUXTRIHAZ-BQYQJAHWSA-N
HMDB35381,514.293053698,C30H42O7,CC(CC(=O)\C=C(\C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O,"InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21,23,32,35H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-",OVUOUFPIPZJGME,GDNBJRDFSA,N,Ganoderenic acid A,OVUOUFPIPZJGME-GDNBJRDFSA-N
HMDB35382,516.308703762,C30H44O7,CC(CC(=O)\C=C(\C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O,"InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21-23,32,34-35H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-",DIEUZIPSDUGWLD,GDNBJRDFSA,N,Ganoderenic acid C,DIEUZIPSDUGWLD-GDNBJRDFSA-N
HMDB35383,222.198365454,C15H26O,CC1(C)CC23[C@H]1CC[C@@]2(C)CCC[C@]3(C)O,"InChI=1S/C15H26O/c1-12(2)10-15-11(12)6-9-13(15,3)7-5-8-14(15,4)16/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15?/m0/s1",ZEQZCZRDJPTCHI,MFLQWKMISA,N,Panasinsanol B,ZEQZCZRDJPTCHI-MFLQWKMISA-N
HMDB35384,112.034670946,C6H8S,CCC1=CC=CS1,"InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3",JCCCMAAJYSNBPR,UHFFFAOYSA,N,2-Ethylthiophene,JCCCMAAJYSNBPR-UHFFFAOYSA-N
HMDB35385,112.034670946,C6H8S,CCC1=CSC=C1,"InChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3",SLDBAXYJAIRQMX,UHFFFAOYSA,N,3-Ethylthiophene,SLDBAXYJAIRQMX-UHFFFAOYSA-N
HMDB35386,526.329439204,C32H46O6,CC(CC(=O)\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O,"InChI=1S/C32H46O6/c1-18(15-21(34)16-19(2)28(36)37)24-17-26(35)32(8)23-9-10-25-29(4,5)27(38-20(3)33)12-13-30(25,6)22(23)11-14-31(24,32)7/h9,11,16,18,24-27,35H,10,12-15,17H2,1-8H3,(H,36,37)/b19-16-",SUTMBPWDBAUJCG,MNDPQUGUSA,N,"(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid",SUTMBPWDBAUJCG-MNDPQUGUSA-N
HMDB35387,526.329439204,C32H46O6,CC(CC(=O)\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C32H46O6/c1-18(15-21(34)16-19(2)28(36)37)24-17-27(38-20(3)33)32(8)23-9-10-25-29(4,5)26(35)12-13-30(25,6)22(23)11-14-31(24,32)7/h9,11,16,18,24-27,35H,10,12-15,17H2,1-8H3,(H,36,37)/b19-16-",LFZXDPZHYHAKCQ,MNDPQUGUSA,N,"(24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid",LFZXDPZHYHAKCQ-MNDPQUGUSA-N
HMDB35388,568.34000389,C34H48O7,CC(CC(=O)\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O,"InChI=1S/C34H48O7/c1-19(16-23(37)17-20(2)30(38)39)26-18-29(41-22(4)36)34(9)25-10-11-27-31(5,6)28(40-21(3)35)13-14-32(27,7)24(25)12-15-33(26,34)8/h10,12,17,19,26-29H,11,13-16,18H2,1-9H3,(H,38,39)/b20-17-",RUEBMBLFAJUSGD,JZJYNLBNSA,N,"(24E)-3alpha,15alpha-Diacetoxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid",RUEBMBLFAJUSGD-JZJYNLBNSA-N
HMDB35389,624.49650453,C37H68O7,CCCCCCCCCCC(O)C1CCC(O1)C(O)CC(O)CCCCCCC(O)CCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H68O7/c1-3-4-5-6-7-8-12-19-24-33(40)35-25-26-36(44-35)34(41)28-32(39)23-18-14-13-17-22-31(38)21-16-11-9-10-15-20-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3",IFULYTAZAAQCHW,UHFFFAOYSA,N,Asitrilobin D,IFULYTAZAAQCHW-UHFFFAOYSA-N
HMDB35390,126.10446507,C8H14O,CC\C=C/CCC(C)=O,"InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-",NBFKNCBRFJKDDR,PLNGDYQASA,N,5-Octen-2-one,NBFKNCBRFJKDDR-PLNGDYQASA-N
HMDB35391,220.18271539,C15H24O,CC(C)C1CC\C(C)=C/CCC(=C)CC1=O,"InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/b12-6-",QTFJNWQFKJITEE,SDQBBNPISA,N,Preisocalamendiol,QTFJNWQFKJITEE-SDQBBNPISA-N
HMDB35394,272.250401024,C20H32,CC1(C)CCCC2(C)C3CCC4CC3(CC4=C)CCC12,"InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3",ONVABDHFQKWOSV,UHFFFAOYSA,N,ent-16-Kaurene,ONVABDHFQKWOSV-UHFFFAOYSA-N
HMDB35395,784.49729239,C42H72O13,CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(O)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O,"InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3",AGBCLJAHARWNLA,UHFFFAOYSA,N,Ginsenoside C,AGBCLJAHARWNLA-UHFFFAOYSA-N
HMDB35396,382.199153314,C20H30O7,CC(C)CC(=O)OC1CC2(CO)C(OC3C(O)C(O)C2(C)C32CO2)C=C1C,"InChI=1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3",DDAUKBBLCGQHIP,UHFFFAOYSA,N,T2 Triol,DDAUKBBLCGQHIP-UHFFFAOYSA-N
HMDB35397,576.511760664,C37H68O4,CCCCCCCCCCCC\C=C/CCC(O)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H68O4/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35(38)36(39)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)41-37(34)40/h21,24,32-33,35-36,38-39H,3-20,22-23,25-31H2,1-2H3/b24-21-",HVFRQLAWDLEDRL,FLFQWRMESA,N,Cohibin C,HVFRQLAWDLEDRL-FLFQWRMESA-N
HMDB35398,576.511760664,C37H68O4,CCCCCCCCCCCCCCC\C=C\CCC(O)C(O)CCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H68O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-35(38)36(39)31-28-25-22-19-16-17-20-23-26-29-34-32-33(2)41-37(34)40/h21,24,32-33,35-36,38-39H,3-20,22-23,25-31H2,1-2H3/b24-21+",JGXOAQHUFINOAQ,DARPEHSRSA,N,Cohibin D,JGXOAQHUFINOAQ-DARPEHSRSA-N
HMDB35399,290.07903818,C15H14O6,OCC12OC(C(C1C1=CC=C(O)C=C1)C(O)=O)C(=O)C=C2,"InChI=1S/C15H14O6/c16-7-15-6-5-10(18)13(21-15)11(14(19)20)12(15)8-1-3-9(17)4-2-8/h1-6,11-13,16-17H,7H2,(H,19,20)",IJGLRFRYPAUECC,UHFFFAOYSA,N,Cartorimine,IJGLRFRYPAUECC-UHFFFAOYSA-N
HMDB35400,162.046950192,C13H6,CC#CC#CC#CC#CC#CC=C,"InChI=1S/C13H6/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1H2,2H3",KKBHBCOJHHCOCL,UHFFFAOYSA,N,"1-Tridecene-3,5,7,9,11-pentayne",KKBHBCOJHHCOCL-UHFFFAOYSA-N
HMDB35401,442.381080844,C30H50O2,CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CCC1=C,"InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3",IOPDFSGGBHSXSV,UHFFFAOYSA,N,Arnidenediol,IOPDFSGGBHSXSV-UHFFFAOYSA-N
HMDB35402,801.632998009,C45H87NO10,CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCC\C=C\CCCCCCC,"InChI=1S/C45H87NO10/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(49)44(54)46-36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)40(50)37(48)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h16,20,36-43,45,47-53H,3-15,17-19,21-35H2,1-2H3,(H,46,54)/b20-16+",CBRDIWBNFRUVPT,CAPFRKAQSA,N,Culinariside,CBRDIWBNFRUVPT-CAPFRKAQSA-N
HMDB35403,356.162373878,C21H24O5,COC1=CC(CCC(=O)\C=C\CCC2=CC(OC)=C(O)C=C2)=CC=C1O,"InChI=1S/C21H24O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h4,6,8-9,11-14,23-24H,3,5,7,10H2,1-2H3/b6-4+",FWDXZNKYDTXGOT,GQCTYLIASA,N,Gingerenone A,FWDXZNKYDTXGOT-GQCTYLIASA-N
HMDB35404,386.172938564,C22H26O6,COC1=CC(CCC(=O)\C=C\CCC2=CC(OC)=C(O)C=C2)=CC(OC)=C1O,"InChI=1S/C22H26O6/c1-26-19-12-15(9-11-18(19)24)6-4-5-7-17(23)10-8-16-13-20(27-2)22(25)21(14-16)28-3/h5,7,9,11-14,24-25H,4,6,8,10H2,1-3H3/b7-5+",GCCMDTDROAUVAS,FNORWQNLSA,N,Isogingerenone B,GCCMDTDROAUVAS-FNORWQNLSA-N
HMDB35405,386.172938564,C22H26O6,COC1=CC(CCC(=O)\C=C\CCC2=CC(OC)=C(O)C(OC)=C2)=CC=C1O,"InChI=1S/C22H26O6/c1-26-19-12-15(9-11-18(19)24)8-10-17(23)7-5-4-6-16-13-20(27-2)22(25)21(14-16)28-3/h5,7,9,11-14,24-25H,4,6,8,10H2,1-3H3/b7-5+",BGYDJLLXKGVQBP,FNORWQNLSA,N,Gingerenone B,BGYDJLLXKGVQBP-FNORWQNLSA-N
HMDB35406,454.344695338,C30H46O3,CC(CC\C=C(\C)C=O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3,"InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-13-16-29(6)22-11-12-24-27(3,4)25(33)14-15-28(24,5)26(22)23(32)17-30(21,29)7/h9,18,20-21,24-25,33H,8,10-17H2,1-7H3/b19-9-",CFBBUWFXWSYJHB,OCKHKDLRSA,N,"3beta-3-Hydroxy-11-oxolanosta-8,24-dien-26-al",CFBBUWFXWSYJHB-OCKHKDLRSA-N
HMDB35407,234.161979948,C15H22O2,CC1CC\C=C(C)/CC(=O)C(CC1=O)=C(C)C,"InChI=1S/C15H22O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,12H,5,7-9H2,1-4H3/b11-6-",ZYPUZCWWTYIGFV,WDZFZDKYSA,N,Dehydrocurdione,ZYPUZCWWTYIGFV-WDZFZDKYSA-N
HMDB35408,234.161979948,C15H22O2,CC(C)=C1C\C=C(C)/CCC2OC2(C)CC1=O,"InChI=1S/C15H22O2/c1-10(2)12-7-5-11(3)6-8-14-15(4,17-14)9-13(12)16/h5,14H,6-9H2,1-4H3/b11-5-",BRHJBHVGLHMQCU,WZUFQYTHSA,N,"1,10-Epoxygermacrone",BRHJBHVGLHMQCU-WZUFQYTHSA-N
HMDB35409,47.984743866,O3,O1OO1,InChI=1S/O3/c1-2-3-1,XQOAKYYZMDCSIA,UHFFFAOYSA,N,Ozone,XQOAKYYZMDCSIA-UHFFFAOYSA-N
HMDB35410,200.177630012,C12H24O2,CC(C)CCCC(C)CCOC(C)=O,"InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3",XFPXWDJICXBWRU,UHFFFAOYSA,N,(R)-Dihydrocitronellol acetate,XFPXWDJICXBWRU-UHFFFAOYSA-N
HMDB35411,158.167065326,C10H22O,CC(C)CCCC(C)CCO,"InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3",PRNCMAKCNVRZFX,UHFFFAOYSA,N,(R)-Dihydrocitronellol,PRNCMAKCNVRZFX-UHFFFAOYSA-N
HMDB35412,232.146329884,C15H20O2,CC1CC(=O)C=C2C(=O)CC(CC12C)C(C)=C,"InChI=1S/C15H20O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h7,10-11H,1,5-6,8H2,2-4H3",CEDQTRQWBOXWOT,UHFFFAOYSA,N,"1(10),11-Eremophiladiene-2,9-dione",CEDQTRQWBOXWOT-UHFFFAOYSA-N
HMDB35413,234.161979948,C15H22O2,CC1CC(=O)CC2C(=O)CC(CC12C)C(C)=C,"InChI=1S/C15H22O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h10-11,13H,1,5-8H2,2-4H3",FFYAYKVAOOBUBP,UHFFFAOYSA,N,"(4alpha,5alpha)-11-Eremophilene-2,9-dione",FFYAYKVAOOBUBP-UHFFFAOYSA-N
HMDB35414,164.083729628,C10H12O2,CC(=C)C(=O)CCC1=COC=C1,"InChI=1S/C10H12O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-7H,1,3-4H2,2H3",XUCQQLCBOJJVRF,UHFFFAOYSA,N,Lepalone,XUCQQLCBOJJVRF-UHFFFAOYSA-N
HMDB35415,402.13146768,C21H22O8,COC1=CC(OC)=C2OC(=C(OC)C(=O)C2=C1OC)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-19(27-5)14(25-3)10-15(26-4)20(16)29-18/h7-10H,1-6H3",FONKMEBARQKMEH,UHFFFAOYSA,N,"3,3',4',5,6,8-Hexamethoxyflavone",FONKMEBARQKMEH-UHFFFAOYSA-N
HMDB35417,168.151415262,C11H20O,CC1(C)C2CCC1(C)C(C)(O)C2,"InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3",LFYXNXGVLGKVCJ,UHFFFAOYSA,N,"(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol",LFYXNXGVLGKVCJ-UHFFFAOYSA-N
HMDB35418,104.065971074,C5H12S,CCC(C)CS,"InChI=1S/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",WGQKBCSACFQGQY,UHFFFAOYSA,N,2-Methyl-1-butanethiol,WGQKBCSACFQGQY-UHFFFAOYSA-N
HMDB35419,503.1189512,C24H23O12,CC1=CC2=C3C(OC(C4=CC(O)=C(O)C(O)=C4)=C2OC2OC(CO)C(O)C(O)C2O)=CC(O)=CC3=[O+]1,"InChI=1S/C24H22O12/c1-8-2-11-17-14(33-8)5-10(26)6-15(17)34-22(9-3-12(27)18(29)13(28)4-9)23(11)36-24-21(32)20(31)19(30)16(7-25)35-24/h2-6,16,19-21,24-25,30-32H,7H2,1H3,(H3-,26,27,28,29)/p+1",GDTLCJKHXQSPKO,UHFFFAOYSA,O,Pyranodelphinin B,GDTLCJKHXQSPKO-UHFFFAOYSA-O
HMDB35420,633.181945386,C30H33O15,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC5=[O+]C(C)=CC3=C45)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C30H32O15/c1-10-5-14-20-17(41-10)7-13(31)8-18(20)43-27(12-3-4-15(32)16(33)6-12)28(14)45-30-26(39)24(37)22(35)19(44-30)9-40-29-25(38)23(36)21(34)11(2)42-29/h3-8,11,19,21-26,29-30,34-39H,9H2,1-2H3,(H2-,31,32,33)/p+1",GRVWOSCJMHVOJT,UHFFFAOYSA,O,Pyranocyanin A,GRVWOSCJMHVOJT-UHFFFAOYSA-O
HMDB35421,649.176860008,C30H33O16,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC5=[O+]C(C)=CC3=C45)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C30H32O16/c1-9-3-13-19-16(42-9)6-12(31)7-17(19)44-27(11-4-14(32)21(35)15(33)5-11)28(13)46-30-26(40)24(38)22(36)18(45-30)8-41-29-25(39)23(37)20(34)10(2)43-29/h3-7,10,18,20,22-26,29-30,34,36-40H,8H2,1-2H3,(H3-,31,32,33,35)/p+1",WHYNSYVOUJQHTR,UHFFFAOYSA,O,Pyranodelphinin A,WHYNSYVOUJQHTR-UHFFFAOYSA-O
HMDB35422,142.099379692,C8H14O2,CCCCC1CCC(=O)O1,"InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3",IPBFYZQJXZJBFQ,UHFFFAOYSA,N,4-Butyl-gamma-butyrolactone,IPBFYZQJXZJBFQ-UHFFFAOYSA-N
HMDB35424,618.413168832,C36H58O8,CC(C\C=C\C(C)(C)O)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C,"InChI=1S/C36H58O8/c1-21(9-8-14-31(2,3)41)22-12-15-34(7)24-13-16-36-25(35(24,20-42-36)18-17-33(22,34)6)10-11-26(32(36,4)5)44-30-29(40)28(39)27(38)23(19-37)43-30/h8,13-14,16,21-30,37-41H,9-12,15,17-20H2,1-7H3/b14-8+",KJEYALWPYVKAPR,RIYZIHGNSA,N,Momordicoside I,KJEYALWPYVKAPR-RIYZIHGNSA-N
HMDB35425,230.13067982,C15H18O2,C\C=C/C#CC#C\C=C\COC(=O)CC(C)C,"InChI=1S/C15H18O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,10-11,14H,12-13H2,1-3H3/b5-4-,11-10+",FPIBENZMUTVCEK,JWPKELMXSA,N,"(2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate",FPIBENZMUTVCEK-JWPKELMXSA-N
HMDB35426,580.179205732,C27H32O14,CC1OC(OC2C(O)C(O)C(CO)OC2C2=C(O)C=C(O)C3=C2OC(CC3=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H32O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-6,9,15-16,19-23,25-31,33-37H,7-8H2,1H3",LCTOQECBRZFOCD,UHFFFAOYSA,N,(S)-Naringenin 8-C-(2''-rhamnosylglucoside),LCTOQECBRZFOCD-UHFFFAOYSA-N
HMDB35427,384.1572885,C22H24O6,COC1=C(CC=C(C)C)C(OC)=C(C2CC(=O)C3=C(O2)C=C(O)C=C3)C(O)=C1,"InChI=1S/C22H24O6/c1-12(2)5-7-15-18(26-3)11-17(25)21(22(15)27-4)20-10-16(24)14-8-6-13(23)9-19(14)28-20/h5-6,8-9,11,20,23,25H,7,10H2,1-4H3",CENDIAJZASJQBF,UHFFFAOYSA,N,Glicoisoflavanone,CENDIAJZASJQBF-UHFFFAOYSA-N
HMDB35428,354.146723814,C21H22O5,COC1=C(\C=C\C(=O)C2=CC(O)=C(O)C=C2)C=CC(O)=C1CC=C(C)C,"InChI=1S/C21H22O5/c1-13(2)4-8-16-18(23)10-6-14(21(16)26-3)5-9-17(22)15-7-11-19(24)20(25)12-15/h4-7,9-12,23-25H,8H2,1-3H3/b9-5+",RDYZHQQZLIBKBP,WEVVVXLNSA,N,Licoagrochalcone C,RDYZHQQZLIBKBP-WEVVVXLNSA-N
HMDB35429,1272.57751236,C61H92O28,C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C)OC(C)=O,"InChI=1S/C61H92O28/c1-11-25(2)51(78)89-48-49(82-27(4)66)61(24-64)29(18-56(48,5)6)28-12-13-34-57(7)16-15-35(58(8,23-63)33(57)14-17-59(34,9)60(28,10)19-36(61)81-26(3)65)84-55-47(88-53-42(74)40(72)39(71)32(20-62)83-53)44(43(75)45(86-55)50(76)77)85-54-46(38(70)31(68)22-80-54)87-52-41(73)37(69)30(67)21-79-52/h11-12,23,29-49,52-55,62,64,67-75H,13-22,24H2,1-10H3,(H,76,77)/b25-11-",XXBBBGNRVPIJLB,GATIEOLUSA,N,Assamsaponin B,XXBBBGNRVPIJLB-GATIEOLUSA-N
HMDB35430,1230.566947674,C59H90O27,C\C=C(/C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C,"InChI=1S/C59H90O27/c1-10-24(2)49(76)86-47-46(73)59(23-79-25(3)62)27(17-54(47,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)65)81-53-45(85-51-40(71)38(69)37(68)30(19-60)80-51)42(41(72)43(83-53)48(74)75)82-52-44(36(67)29(64)21-78-52)84-50-39(70)35(66)28(63)20-77-50/h10-11,22,27-47,50-53,60,63-73H,12-21,23H2,1-9H3,(H,74,75)/b24-10+",RPFAABJEBARVGF,YSURURNPSA,N,Assamsaponin C,RPFAABJEBARVGF-YSURURNPSA-N
HMDB35431,1232.582597738,C59H92O27,C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2CC1(C)C,"InChI=1S/C59H92O27/c1-10-24(2)49(76)86-46-47(79-25(3)63)59(23-62)27(17-54(46,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)66)81-53-45(85-51-40(72)38(70)37(69)30(19-60)80-51)42(41(73)43(83-53)48(74)75)82-52-44(36(68)29(65)21-78-52)84-50-39(71)35(67)28(64)20-77-50/h10-11,27-47,50-53,60-62,64-73H,12-23H2,1-9H3,(H,74,75)/b24-10-",HICOALDSJLSGOF,VROXFSQNSA,N,Assamsaponin D,HICOALDSJLSGOF-VROXFSQNSA-N
HMDB35432,1172.561468366,C57H88O25,C\C=C(\C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO,"InChI=1S/C57H88O25/c1-9-24(2)47(73)77-34-18-52(3,4)16-26-25-10-11-31-53(5)14-13-33(54(6,22-59)30(53)12-15-55(31,7)56(25,8)17-32(63)57(26,34)23-60)78-51-45(82-49-40(69)38(67)37(66)29(19-58)76-49)42(41(70)43(80-51)46(71)72)79-50-44(36(65)28(62)21-75-50)81-48-39(68)35(64)27(61)20-74-48/h9-10,22,26-45,48-51,58,60-70H,11-21,23H2,1-8H3,(H,71,72)/b24-9-",MHYNEDICVBVDKF,OPVMPGTRSA,N,Assamsaponin A,MHYNEDICVBVDKF-OPVMPGTRSA-N
HMDB35433,680.34079175,C35H52O13,CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=CC(=O)OC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C35H52O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12-13,16,19-23,25-32,36,38-43H,4-11,14-15H2,1-3H3",DVTQQKKQADHWDM,UHFFFAOYSA,N,Canarigenin 3-[glucosyl-(1->4)-6-deoxy-alloside],DVTQQKKQADHWDM-UHFFFAOYSA-N
HMDB35434,468.323959896,C30H44O4,C\C(=C/CCC(C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O,"InChI=1S/C30H44O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24H,7,9-17H2,1-6H3,(H,33,34)/b19-8+",CTZUXTNMDDRMNB,UFWORHAWSA,N,Isomasticadienonalic acid,CTZUXTNMDDRMNB-UFWORHAWSA-N
HMDB35435,614.163555668,C30H30O14,OCC1OC(OC2=C3C(CC(=O)OC3=C3CC(O)C(OC3=C2)C2=CC(O)=C(O)C=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C30H30O14/c31-10-22-25(38)26(39)27(40)30(43-22)42-21-9-20-14(7-19(36)28(41-20)12-2-4-16(33)18(35)6-12)29-24(21)13(8-23(37)44-29)11-1-3-15(32)17(34)5-11/h1-6,9,13,19,22,25-28,30-36,38-40H,7-8,10H2",VQTJQDXXZTXQEJ,UHFFFAOYSA,N,Cinchonain Id 7-glucoside,VQTJQDXXZTXQEJ-UHFFFAOYSA-N
HMDB35436,624.49650453,C37H68O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CC(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-14-17-20-23-33(40)35-24-25-36(44-35)34(41)28-32(39)22-19-16-13-11-10-12-15-18-21-31(38)27-30-26-29(2)43-37(30)42/h26,29,31-36,38-41H,3-25,27-28H2,1-2H3",BCBLVYJIKUTOHM,UHFFFAOYSA,N,Asitrilobin C,BCBLVYJIKUTOHM-UHFFFAOYSA-N
HMDB35437,1260.598641732,C57H96O30,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C,"InChI=1S/C57H96O30/c1-20(18-77-50-44(73)40(69)37(66)31(14-58)80-50)6-9-57(76-5)21(2)35-30(87-57)11-24-22-10-26(62)25-12-29(27(63)13-56(25,4)23(22)7-8-55(24,35)3)79-52-46(75)42(71)47(34(17-61)83-52)84-54-49(86-53-45(74)41(70)38(67)32(15-59)81-53)48(39(68)33(16-60)82-54)85-51-43(72)36(65)28(64)19-78-51/h20-54,58-75H,6-19H2,1-5H3",VJFMEKSHTFKNOP,UHFFFAOYSA,N,"(2a,3b,5a,6a,22R,25R)-Furostane-22-methoxy-2,3,6,26-tetrol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside",VJFMEKSHTFKNOP-UHFFFAOYSA-N
HMDB35438,355.141972787,C20H21NO5,COC(=O)N1CCC2=CC(OC)=C(OC)C3=C2C1CC31C=CC(=O)C=C1,"InChI=1S/C20H21NO5/c1-24-15-10-12-6-9-21(19(23)26-3)14-11-20(7-4-13(22)5-8-20)17(16(12)14)18(15)25-2/h4-5,7-8,10,14H,6,9,11H2,1-3H3",RRWYPLCSLKEVAO,UHFFFAOYSA,N,Promucosine,RRWYPLCSLKEVAO-UHFFFAOYSA-N
HMDB35439,652.200335104,C30H36O16,COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1,"InChI=1S/C30H36O16/c1-11-22(33)24(35)26(37)29(43-11)42-10-20-23(34)25(36)27(38)30(46-20)44-13-7-14(31)21-15(32)9-16(45-17(21)8-13)12-5-18(39-2)28(41-4)19(6-12)40-3/h5-9,11,20,22-27,29-31,33-38H,10H2,1-4H3",QVXXLWMUTXHCGR,UHFFFAOYSA,N,"3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside]",QVXXLWMUTXHCGR-UHFFFAOYSA-N
HMDB35440,356.162373878,C21H24O5,COC1=C(C(=O)CCC2=CC=C(O)C=C2)C(O)=C(CC=C(C)C)C(O)=C1,"InChI=1S/C21H24O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-6,8-9,12,22,24-25H,7,10-11H2,1-3H3",SVTCZHIDEDUTBH,UHFFFAOYSA,N,"alpha,beta-Dihydroxanthohumol",SVTCZHIDEDUTBH-UHFFFAOYSA-N
HMDB35441,340.115817616,C16H20O8,OCC1OC(OC2=CC(CC=C)=CC3=C2OCO3)C(O)C(O)C1O,"InChI=1S/C16H20O8/c1-2-3-8-4-9-15(22-7-21-9)10(5-8)23-16-14(20)13(19)12(18)11(6-17)24-16/h2,4-5,11-14,16-20H,1,3,6-7H2",WSBIGXWOOLUSSX,UHFFFAOYSA,N,Oenanthoside A,WSBIGXWOOLUSSX-UHFFFAOYSA-N
HMDB35442,494.142426296,C23H26O12,COC1=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=CC(CC=C)=C1,"InChI=1S/C23H26O12/c1-3-4-10-5-14(32-2)18(27)15(6-10)34-23-21(30)20(29)19(28)16(35-23)9-33-22(31)11-7-12(24)17(26)13(25)8-11/h3,5-8,16,19-21,23-30H,1,4,9H2,2H3",LFQREKVEOMIWQF,UHFFFAOYSA,N,Pimentol,LFQREKVEOMIWQF-UHFFFAOYSA-N
HMDB35443,294.161979948,C20H22O2,COC1=CC=C(\C=C\CC\C=C\C2=CC=C(OC)C=C2)C=C1,"InChI=1S/C20H22O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h5-16H,3-4H2,1-2H3/b7-5+,8-6+",FWOYMKXDIXNXIC,KQQUZDAGSA,N,"(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene",FWOYMKXDIXNXIC-KQQUZDAGSA-N
HMDB35444,592.179205732,C28H32O14,CC(=O)OC1(CO)COC(OC2C(O)C(O)C(CO)OC2OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C1O,"InChI=1S/C28H32O14/c1-13(31)42-28(11-30)12-37-27(25(28)36)41-24-23(35)22(34)21(10-29)40-26(24)38-16-5-2-14(3-6-16)19-9-18(33)17-7-4-15(32)8-20(17)39-19/h2-8,19,21-27,29-30,32,34-36H,9-12H2,1H3",DFVHSVJRAHZUGZ,UHFFFAOYSA,N,Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside],DFVHSVJRAHZUGZ-UHFFFAOYSA-N
HMDB35445,570.194855796,C26H34O14,COC(COC(=O)CC1\C(=C\C)C(OC2OC(CO)C(O)C(O)C2O)OC=C1C(=O)OC)C1=CC(O)=C(O)C=C1,"InChI=1S/C26H34O14/c1-4-13-14(8-20(30)37-11-19(35-2)12-5-6-16(28)17(29)7-12)15(24(34)36-3)10-38-25(13)40-26-23(33)22(32)21(31)18(9-27)39-26/h4-7,10,14,18-19,21-23,25-29,31-33H,8-9,11H2,1-3H3/b13-4-",YZPLQRBBARLPFK,PQMHYQBVSA,N,2''-Methoxy-(S)-oleuropein,YZPLQRBBARLPFK-PQMHYQBVSA-N
HMDB35446,374.100167552,C19H18O8,COC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C/C1=CC(O)=C(O)C=C1,"InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4-",XHALVRQBZGZHFE,DAXSKMNVSA,N,Methyl rosmarinate,XHALVRQBZGZHFE-DAXSKMNVSA-N
HMDB35447,192.115029756,C12H16O2,CC(C)C1=CC(OC(C)=O)=C(C)C=C1,"InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3",OXZSUQJHKQOGOK,UHFFFAOYSA,N,5-Isopropyl-2-methylphenol acetate,OXZSUQJHKQOGOK-UHFFFAOYSA-N
HMDB35448,492.126776232,C23H24O12,COC1=C(O)C=C(C(OC2OC(CO)C(O)C(O)C2O)=C1)C1=COC2=CC(O)=C(OC)C=C2C1=O,"InChI=1S/C23H24O12/c1-31-16-4-10-14(5-13(16)26)33-8-11(19(10)27)9-3-12(25)17(32-2)6-15(9)34-23-22(30)21(29)20(28)18(7-24)35-23/h3-6,8,18,20-26,28-30H,7H2,1-2H3",RQLOWOYMKFVTBB,UHFFFAOYSA,N,Licoagroside A,RQLOWOYMKFVTBB-UHFFFAOYSA-N
HMDB35449,828.450736128,C42H68O16,CC1CCC2(CCC3(C)C(=CCC4C3(C)CCC3C(C)(C)C(O)C(O)C(O)C43C)C2C1(C)O)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H68O16/c1-18-10-13-42(36(53)58-35-30(27(48)25(46)21(17-44)56-35)57-34-28(49)26(47)24(45)20(16-43)55-34)15-14-38(4)19(31(42)41(18,7)54)8-9-23-39(38,5)12-11-22-37(2,3)32(51)29(50)33(52)40(22,23)6/h8,18,20-35,43-52,54H,9-17H2,1-7H3",CYBPVTXJHMEVKW,UHFFFAOYSA,N,"1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester",CYBPVTXJHMEVKW-UHFFFAOYSA-N
HMDB35450,903.255898188,C42H47O22,OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC=C(O)C=C3)OC2OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C42H46O22/c43-14-26-30(49)33(52)36(55)40(61-26)59-24-12-21(47)11-23-22(24)13-25(38(58-23)18-4-8-20(46)9-5-18)60-42-39(64-41-37(56)34(53)31(50)27(15-44)62-41)35(54)32(51)28(63-42)16-57-29(48)10-3-17-1-6-19(45)7-2-17/h1-13,26-28,30-37,39-44,49-56H,14-16H2,(H2-,45,46,47,48)/p+1",ABHFLYVGOLPRKB,UHFFFAOYSA,O,Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxycinnamoyl-(->6)]-b-D-glucopyranoside](E-) 5-O-b-D-glucopyranoside,ABHFLYVGOLPRKB-UHFFFAOYSA-O
HMDB35451,933.266462874,C43H49O23,COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC4=C(OC5OC(CO)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=CC=C1O,"InChI=1S/C43H48O23/c1-58-25-10-17(2-8-22(25)48)3-9-30(49)59-16-29-33(52)36(55)40(66-42-38(57)35(54)32(51)28(15-45)64-42)43(65-29)62-26-13-21-23(60-39(26)18-4-6-19(46)7-5-18)11-20(47)12-24(21)61-41-37(56)34(53)31(50)27(14-44)63-41/h2-13,27-29,31-38,40-45,50-57H,14-16H2,1H3,(H2-,46,47,48,49)/p+1",IBQMSPNJNBDIEA,UHFFFAOYSA,O,Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxy-3-methoxy-(E)-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-b-D-glucopyranoside,IBQMSPNJNBDIEA-UHFFFAOYSA-O
HMDB35452,989.256292118,C45H49O25,OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC=C(O)C=C3)OC2OC2=CC3=C(OC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C45H48O25/c46-15-27-33(54)36(57)40(61)44(67-27)70-42-38(59)35(56)29(16-62-31(52)10-3-18-1-6-20(47)7-2-18)69-45(42)66-26-13-23-24(64-41(26)19-4-8-21(48)9-5-19)11-22(49)12-25(23)65-43-39(60)37(58)34(55)28(68-43)17-63-32(53)14-30(50)51/h1-13,27-29,33-40,42-46,54-61H,14-17H2,(H3-,47,48,49,50,51,52)/p+1",MEMCAMOQDXSLTL,UHFFFAOYSA,O,Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxycinnamoyl-(->6)]-b-D-glucopyranoside](E-) 5-O-(6-O-malonyl-b-D-glucopyranoside),MEMCAMOQDXSLTL-UHFFFAOYSA-O
HMDB35453,1019.266856804,C46H51O26,COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC4=C(OC5OC(COC(=O)CC(O)=O)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=CC=C1O,"InChI=1S/C46H50O26/c1-63-26-10-18(2-8-23(26)50)3-9-32(53)64-16-30-36(57)39(60)43(72-45-41(62)37(58)34(55)28(15-47)69-45)46(71-30)68-27-13-22-24(66-42(27)19-4-6-20(48)7-5-19)11-21(49)12-25(22)67-44-40(61)38(59)35(56)29(70-44)17-65-33(54)14-31(51)52/h2-13,28-30,34-41,43-47,55-62H,14-17H2,1H3,(H3-,48,49,50,51,52,53)/p+1",XGPCPGROCKPKCA,UHFFFAOYSA,O,Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxy-3-methoxy-(E)-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-(6-O-malonyl-b-D-glucopyranoside),XGPCPGROCKPKCA-UHFFFAOYSA-O
HMDB35454,1069.282506868,C50H53O26,COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1OC1OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2,"InChI=1S/C50H52O26/c1-67-31-13-22(6-10-27(31)55)45-32(16-25-29(70-45)14-24(53)15-30(25)71-48-43(64)40(61)37(58)33(17-51)73-48)72-50-46(42(63)39(60)34(75-50)18-68-36(57)11-3-20-2-9-26(54)28(56)12-20)76-49-44(65)41(62)38(59)35(74-49)19-69-47(66)21-4-7-23(52)8-5-21/h2-16,33-35,37-44,46,48-51,58-65H,17-19H2,1H3,(H4-,52,53,54,55,56,57,66)/p+1",DYZALFMOLIKHGK,UHFFFAOYSA,O,YGM 5A,DYZALFMOLIKHGK-UHFFFAOYSA-O
HMDB35455,1111.293071554,C52H55O27,COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2,"InChI=1S/C52H54O27/c1-70-33-14-23(6-9-28(33)57)48-34(17-25-31(73-48)15-24(54)16-32(25)74-50-46(68)43(65)40(62)35(18-53)76-50)75-52-49(45(67)42(64)37(78-52)20-72-39(61)11-5-22-3-8-27(56)30(59)13-22)79-51-47(69)44(66)41(63)36(77-51)19-71-38(60)10-4-21-2-7-26(55)29(58)12-21/h2-17,35-37,40-47,49-53,62-69H,18-20H2,1H3,(H5-,54,55,56,57,58,59,60,61)/p+1",JKWOUUZKKXXXBN,UHFFFAOYSA,O,YGM 4B,JKWOUUZKKXXXBN-UHFFFAOYSA-O
HMDB35456,1125.308721618,C53H57O27,COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(OC4=C([O+]=C5C=C(O)C=C(OC6OC(CO)C(O)C(O)C6O)C5=C4)C4=CC(OC)=C(O)C=C4)OC(COC(=O)\C=C\C4=CC(O)=C(O)C=C4)C(O)C3O)C(O)C(O)C2O)=C1,"InChI=1S/C53H56O27/c1-70-33-14-23(4-9-28(33)57)6-12-40(61)72-20-37-42(63)45(66)48(69)52(78-37)80-50-46(67)43(64)38(21-73-39(60)11-5-22-3-8-27(56)30(59)13-22)79-53(50)76-35-18-26-31(74-49(35)24-7-10-29(58)34(15-24)71-2)16-25(55)17-32(26)75-51-47(68)44(65)41(62)36(19-54)77-51/h3-18,36-38,41-48,50-54,62-69H,19-21H2,1-2H3,(H4-,55,56,57,58,59,60,61)/p+1",TYNMGCKPAANSRA,UHFFFAOYSA,O,YGM 6,TYNMGCKPAANSRA-UHFFFAOYSA-O
HMDB35457,144.115029756,C8H16O2,CCCC(O)C(=O)CCC,"InChI=1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3",BVEYJWQCMOVMAR,UHFFFAOYSA,N,(±)-5-Hydroxy-4-octanone,BVEYJWQCMOVMAR-UHFFFAOYSA-N
HMDB35458,919.25081281,C42H47O23,OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(CO)C(O)C(O)C4OC4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C42H46O23/c43-13-26-30(50)33(53)36(56)40(62-26)60-24-11-19(46)10-23-20(24)12-25(38(59-23)17-4-7-21(47)22(48)9-17)61-42-39(35(55)31(51)27(14-44)63-42)65-41-37(57)34(54)32(52)28(64-41)15-58-29(49)8-3-16-1-5-18(45)6-2-16/h1-12,26-28,30-37,39-44,50-57H,13-15H2,(H3-,45,46,47,48,49)/p+1",YIQGOIVRQGYHKC,UHFFFAOYSA,O,Cyanidin 3-O-[4-Hydroxy-E-cinnamoyl-(->6)-b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside] 5-glucoside,YIQGOIVRQGYHKC-UHFFFAOYSA-O
HMDB35459,1055.266856804,C49H51O26,OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(COC(=O)\C=C\C5=CC(O)=C(O)C=C5)C(O)C(O)C4OC4OC(COC(O)=C5C=CC(=O)C=C5)C(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C49H50O26/c50-16-32-36(58)39(61)42(64)47(72-32)70-30-14-23(52)13-29-24(30)15-31(44(69-29)21-5-9-26(54)28(56)12-21)71-49-45(41(63)38(60)33(74-49)17-67-35(57)10-2-19-1-8-25(53)27(55)11-19)75-48-43(65)40(62)37(59)34(73-48)18-68-46(66)20-3-6-22(51)7-4-20/h1-15,32-34,36-43,45,47-50,58-65H,16-18H2,(H5-,51,52,53,54,55,56,57,66)/p+1",GLMCQQPCNPVXHL,UHFFFAOYSA,O,YGM 1A,GLMCQQPCNPVXHL-UHFFFAOYSA-O
HMDB35460,1097.27742149,C51H53O27,OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(COC(=O)\C=C\C5=CC(O)=C(O)C=C5)C(O)C(O)C4OC4OC(COC(=O)\C=C\C5=CC(O)=C(O)C=C5)C(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C51H52O27/c52-17-34-39(62)42(65)45(68)49(75-34)73-32-15-23(53)14-31-24(32)16-33(47(72-31)22-5-8-27(56)30(59)13-22)74-51-48(44(67)41(64)36(77-51)19-71-38(61)10-4-21-2-7-26(55)29(58)12-21)78-50-46(69)43(66)40(63)35(76-50)18-70-37(60)9-3-20-1-6-25(54)28(57)11-20/h1-16,34-36,39-46,48-52,62-69H,17-19H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1",QROHSXUMSFREKB,UHFFFAOYSA,O,YGM 1B,QROHSXUMSFREKB-UHFFFAOYSA-O
HMDB35461,1111.293071554,C52H55O27,COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(OC4=C([O+]=C5C=C(O)C=C(OC6OC(CO)C(O)C(O)C6O)C5=C4)C4=CC(O)=C(O)C=C4)OC(COC(=O)\C=C\C4=CC(O)=C(O)C=C4)C(O)C3O)C(O)C(O)C2O)=C1,"InChI=1S/C52H54O27/c1-70-33-13-22(3-8-28(33)57)5-11-39(61)71-19-36-41(63)44(66)47(69)51(77-36)79-49-45(67)42(64)37(20-72-38(60)10-4-21-2-7-26(55)29(58)12-21)78-52(49)75-34-17-25-31(73-48(34)23-6-9-27(56)30(59)14-23)15-24(54)16-32(25)74-50-46(68)43(65)40(62)35(18-53)76-50/h2-17,35-37,40-47,49-53,62-69H,18-20H2,1H3,(H5-,54,55,56,57,58,59,60,61)/p+1",CSWCMIODPBATKN,UHFFFAOYSA,O,YGM 3,CSWCMIODPBATKN-UHFFFAOYSA-O
HMDB35462,522.100955412,C23H22O14,CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C23H22O14/c1-7(24)34-6-14-17(30)19(32)20(33)23(36-14)37-22-18(31)15-10(26)4-9(25)5-13(15)35-21(22)8-2-11(27)16(29)12(28)3-8/h2-5,14,17,19-20,23,25-30,32-33H,6H2,1H3",SVRJGKAZQHHOSZ,UHFFFAOYSA,N,Myricetin 3-(6-acetylgalactoside),SVRJGKAZQHHOSZ-UHFFFAOYSA-N
HMDB35463,632.101349342,C28H24O17,OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=C2)C1O,"InChI=1S/C28H24O17/c29-11-5-10(6-16-18(11)22(37)24(39)26(44-16)8-1-12(30)19(34)13(31)2-8)43-28-25(40)23(38)21(36)17(45-28)7-42-27(41)9-3-14(32)20(35)15(33)4-9/h1-6,17,21,23,25,28-36,38-40H,7H2",MZDFJFBTVPXCAQ,UHFFFAOYSA,N,Myricetin 7-(6''-galloylglucoside),MZDFJFBTVPXCAQ-UHFFFAOYSA-N
HMDB35464,606.15847029,C28H30O15,CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O,"InChI=1S/C28H30O15/c1-12(30)38-9-20-22(34)23(35)24(43-27-25(36)28(37,10-29)11-39-27)26(42-20)40-15-6-16(32)21-17(33)8-18(41-19(21)7-15)13-2-4-14(31)5-3-13/h2-8,20,22-27,29,31-32,34-37H,9-11H2,1H3",IJUKPRHUCJJFTO,UHFFFAOYSA,N,6''-Acetylapiin,IJUKPRHUCJJFTO-UHFFFAOYSA-N
HMDB35465,396.120902994,C22H20O7,COC1=CC2=C(C(=O)C3=C(C=C4OC5(C)CCCC(O5)C4=C3O)C2=O)C(OC)=C1,"InChI=1S/C22H20O7/c1-22-6-4-5-13(28-22)18-15(29-22)9-12-17(21(18)25)20(24)16-11(19(12)23)7-10(26-2)8-14(16)27-3/h7-9,13,25H,4-6H2,1-3H3",UOWSTUZKQCORDT,UHFFFAOYSA,N,"6,8-Di-O-methylaverufin",UOWSTUZKQCORDT-UHFFFAOYSA-N
HMDB35466,490.111126168,C23H22O12,CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C23H22O12/c1-9(24)32-8-15-17(28)19(30)20(31)23(34-15)35-22-18(29)16-13(27)6-12(26)7-14(16)33-21(22)10-2-4-11(25)5-3-10/h2-7,15,17,19-20,23,25-28,30-31H,8H2,1H3",AKENCGNASJPQNR,UHFFFAOYSA,N,Kaempferol 3-(6-acetylgalactoside),AKENCGNASJPQNR-UHFFFAOYSA-N
HMDB35467,358.141638436,C20H22O6,COC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H22O6/c1-11(2)4-6-14-18(24)10-19(25)15(20(14)26-3)9-17(23)13-7-5-12(21)8-16(13)22/h4-5,7-8,10,21-22,24-25H,6,9H2,1-3H3",JYRFVDHHGPHQBG,UHFFFAOYSA,N,Glicophenone,JYRFVDHHGPHQBG-UHFFFAOYSA-N
HMDB35468,940.466780122,C47H72O19,CC1OC(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(CC(=O)C5(C)CCC43C)C(O)=O)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C47H72O19/c1-20-28(51)30(53)33(56)38(62-20)65-35-29(52)23(49)18-61-39(35)66-36-32(55)31(54)34(37(57)58)64-40(36)63-27-11-12-44(4)24(45(27,5)19-48)10-13-47(7)25(44)9-8-21-22-16-42(2,41(59)60)17-26(50)43(22,3)14-15-46(21,47)6/h8,20,22-25,27-36,38-40,48-49,51-56H,9-19H2,1-7H3,(H,57,58)(H,59,60)",SQDFOCSKXIUZKC,UHFFFAOYSA,N,Melilotussaponin O2,SQDFOCSKXIUZKC-UHFFFAOYSA-N
HMDB35469,655.611474707,C40H81NO5,CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC,"InChI=1S/C40H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-38(44)40(46)41-36(35-42)39(45)37(43)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h36-39,42-45H,3-35H2,1-2H3,(H,41,46)",XJDLBNONNWFVMN,UHFFFAOYSA,N,"N-(2R-Hydroxydocosanoyl)-2S-amino-1,3S,4R-octadecanetriol",XJDLBNONNWFVMN-UHFFFAOYSA-N
HMDB35470,669.627124771,C41H83NO5,CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC,"InChI=1S/C41H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(45)41(47)42-37(36-43)40(46)38(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-40,43-46H,3-36H2,1-2H3,(H,42,47)",LXCDJSOYWPJYDC,UHFFFAOYSA,N,"N-(2R-Hydroxytricosanoyl)-2S-amino-1,3S,4R-octadecanetriol",LXCDJSOYWPJYDC-UHFFFAOYSA-N
HMDB35471,697.658424899,C43H87NO5,CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC,"InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49)",YADUGDLSXPPFIP,UHFFFAOYSA,N,"N-(2R-Hydroxypentacosanoyl)-2S-amino-1,3S,4R-octadecanetriol",YADUGDLSXPPFIP-UHFFFAOYSA-N
HMDB35472,711.674074963,C44H89NO5,CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC,"InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)",XNLFLZXNXQVPII,UHFFFAOYSA,N,"N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol",XNLFLZXNXQVPII-UHFFFAOYSA-N
HMDB35473,284.23514489,C17H32O3,OCC(O)CC(O)CCCCCCCCCCCC#C,"InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h1,16-20H,3-15H2",OHLQBKZXSJYBMK,UHFFFAOYSA,N,Avocadyne,OHLQBKZXSJYBMK-UHFFFAOYSA-N
HMDB35474,298.28718046,C19H38O2,CCCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3",XUGNVMKQXJXZCD,UHFFFAOYSA,N,Isopropyl hexadecanoate,XUGNVMKQXJXZCD-UHFFFAOYSA-N
HMDB35475,551.200275525,C26H33NO12,COC1CC(OC2OC(CO)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)\C(=C\C#N)C(O)C1OC,"InChI=1S/C26H33NO12/c1-34-17-10-13(4-6-15(17)29)5-7-20(30)39-25-23(33)22(32)19(12-28)38-26(25)37-16-11-18(35-2)24(36-3)21(31)14(16)8-9-27/h4-8,10,16,18-19,21-26,28-29,31-33H,11-12H2,1-3H3/b7-5+,14-8-",GWXJMPVVJCHQIB,USFPABIYSA,N,Simmondsin 2'-ferulate,GWXJMPVVJCHQIB-USFPABIYSA-N
HMDB35476,360.10564686,C15H20O10,COC1=C(C(C)=O)C(O)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C1,"InChI=1S/C15H20O10/c1-5(17)9-7(23-2)3-6(18)14(11(9)20)25-15-13(22)12(21)10(19)8(4-16)24-15/h3,8,10,12-13,15-16,18-22H,4H2,1-2H3",OCIAHNACQOUFBB,UHFFFAOYSA,N,6'-Methoxypolygoacetophenoside,OCIAHNACQOUFBB-UHFFFAOYSA-N
HMDB35477,348.266445018,C22H36O3,CCCCCCCCCCCCCOC(=O)CCC1=CC=C(O)C=C1,"InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-25-22(24)18-15-20-13-16-21(23)17-14-20/h13-14,16-17,23H,2-12,15,18-19H2,1H3",LMHWNJAOHBYRNG,UHFFFAOYSA,N,Tridecyl phloretate,LMHWNJAOHBYRNG-UHFFFAOYSA-N
HMDB35478,312.136159128,C19H20O4,CC(C)=CCC1=C(O)C=C(\C=C\C2=C(O)C=C(O)C=C2)C=C1O,"InChI=1S/C19H20O4/c1-12(2)3-8-16-18(22)9-13(10-19(16)23)4-5-14-6-7-15(20)11-17(14)21/h3-7,9-11,20-23H,8H2,1-2H3/b5-4+",FEHGVKWVMWWVQZ,SNAWJCMRSA,N,"2',3,4',5-Tetrahydroxy-4-prenylstilbene",FEHGVKWVMWWVQZ-SNAWJCMRSA-N
HMDB35479,384.120902994,C21H20O7,COC1=C2C=C(C(=O)OC2=CC2=C1CC(O)C(C)(C)O2)C1=C(O)C=C(O)C=C1,"InChI=1S/C21H20O7/c1-21(2)18(24)8-14-17(28-21)9-16-13(19(14)26-3)7-12(20(25)27-16)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-24H,8H2,1-3H3",JHGBGRLHQJNGPN,UHFFFAOYSA,N,Isolicopyranocoumarin,JHGBGRLHQJNGPN-UHFFFAOYSA-N
HMDB35480,535.496444951,C34H65NO3,CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C/CC\C=C/CCCCCCCCC,"InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,32-33,36-37H,3-18,20,22-26,28,30-31H2,1-2H3,(H,35,38)/b21-19-,29-27-",GMWIWVUTMCBDSP,RTXSCNSFSA,N,"N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide",GMWIWVUTMCBDSP-RTXSCNSFSA-N
HMDB35481,902.487515564,C45H74O18,CC(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H74O18/c1-18(17-57-41-38(55)36(53)33(50)29(15-46)61-41)6-9-26-19(2)31-28(59-26)13-24-22-8-7-21-12-27(25(48)14-45(21,5)23(22)10-11-44(24,31)4)60-43-40(37(54)34(51)30(16-47)62-43)63-42-39(56)35(52)32(49)20(3)58-42/h18,20-25,27-43,46-56H,6-17H2,1-5H3",TUOFCGLGPSOPQN,UHFFFAOYSA,N,Tuberoside A (Allium tuberosum),TUOFCGLGPSOPQN-UHFFFAOYSA-N
HMDB35482,1048.545424372,C51H84O22,CC(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C51H84O22/c1-19(18-65-46-40(61)39(60)36(57)31(16-52)70-46)7-10-28-20(2)33-30(68-28)14-26-24-9-8-23-13-29(27(54)15-51(23,6)25(24)11-12-50(26,33)5)69-49-45(73-48-42(63)38(59)35(56)22(4)67-48)43(64)44(32(17-53)71-49)72-47-41(62)37(58)34(55)21(3)66-47/h19,21-27,29-49,52-64H,7-18H2,1-6H3",ZGGKEHAJPIMSQR,UHFFFAOYSA,N,Tuberoside B (Allium tuberosum),ZGGKEHAJPIMSQR-UHFFFAOYSA-N
HMDB35483,1064.540338994,C51H84O23,CC(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C51H84O23/c1-19(18-66-46-41(63)39(61)35(57)30(15-52)70-46)6-9-27-20(2)33-29(68-27)13-25-23-8-7-22-12-28(26(55)14-51(22,5)24(23)10-11-50(25,33)4)69-49-45(74-47-42(64)38(60)34(56)21(3)67-47)44(37(59)32(17-54)72-49)73-48-43(65)40(62)36(58)31(16-53)71-48/h19,21-26,28-49,52-65H,6-18H2,1-5H3",IACOUOXSBMSIBH,UHFFFAOYSA,N,Tuberoside C (Allium tuberosum),IACOUOXSBMSIBH-UHFFFAOYSA-N
HMDB35484,210.05282343,C10H10O5,COC1=CC(\C=C\C(O)=O)=CC(O)=C1O,"InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+",YFXWTVLDSKSYLW,NSCUHMNNSA,N,"3-(3,4-Dihydroxy-5-methoxy)-2-propenoic acid",YFXWTVLDSKSYLW-NSCUHMNNSA-N
HMDB35485,1244.60372711,C57H96O29,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C57H96O29/c1-21(19-76-50-44(72)40(68)37(65)31(15-58)79-50)6-11-57(75-5)22(2)35-30(86-57)14-26-24-13-28(62)27-12-23(7-9-55(27,3)25(24)8-10-56(26,35)4)78-52-46(74)42(70)47(34(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)32(16-59)80-53)48(39(67)33(17-60)81-54)84-51-43(71)36(64)29(63)20-77-51/h21-54,58-74H,6-20H2,1-5H3",WXRWBINXCITVLG,UHFFFAOYSA,N,"(3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside",WXRWBINXCITVLG-UHFFFAOYSA-N
HMDB35486,504.147905604,C21H28O14,OCC1OC(CO)(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C21H28O14/c22-6-12-16(28)19(31)21(8-23,34-12)35-20-18(30)17(29)15(27)13(33-20)7-32-14(26)4-2-9-1-3-10(24)11(25)5-9/h1-5,12-13,15-20,22-25,27-31H,6-8H2/b4-2+",UZUDNVXQOKQTDO,DUXPYHPUSA,N,6-Caffeoylsucrose,UZUDNVXQOKQTDO-DUXPYHPUSA-N
HMDB35487,504.345089268,C30H48O6,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-28(27,5)10-9-19-26(3,16-31)22(33)21(32)23(34)29(19,20)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)",YOGUTEYZFFDORB,UHFFFAOYSA,N,"(1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid",YOGUTEYZFFDORB-UHFFFAOYSA-N
HMDB35488,756.429606756,C39H64O14,CC1C2C(CC3C4CC(O)C5(O)CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C39H64O14/c1-17-6-11-39(48-16-17)18(2)27-24(53-39)13-23-21-12-26(41)38(47)14-20(7-10-37(38,5)22(21)8-9-36(23,27)4)50-35-32(46)30(44)33(25(15-40)51-35)52-34-31(45)29(43)28(42)19(3)49-34/h17-35,40-47H,6-16H2,1-5H3",GBRQGKIXYHHYOW,UHFFFAOYSA,N,"(25S)-Spirostane-3b,5b,6a-triol 3-[4''-rhamnosylglucoside]",GBRQGKIXYHHYOW-UHFFFAOYSA-N
HMDB35489,464.225761994,C21H36O11,CC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC(C)(O1)C=C,"InChI=1S/C21H36O11/c1-5-21(4)7-6-12(31-21)20(2,3)32-19-17(27)15(25)14(24)11(30-19)9-29-18-16(26)13(23)10(22)8-28-18/h5,10-19,22-27H,1,6-9H2,2-4H3",CXCRZTANOZWBHN,UHFFFAOYSA,N,"Linalool 3,6-oxide primeveroside",CXCRZTANOZWBHN-UHFFFAOYSA-N
HMDB35490,740.434692134,C39H64O13,CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C39H64O13/c1-17-6-11-39(47-16-17)18(2)28-26(52-39)14-23-21-13-25(41)24-12-20(7-9-37(24,4)22(21)8-10-38(23,28)5)49-36-33(46)31(44)34(27(15-40)50-36)51-35-32(45)30(43)29(42)19(3)48-35/h17-36,40-46H,6-16H2,1-5H3",XZCHKGLKFIFPOH,UHFFFAOYSA,N,25-Epiruizgenin 3-[4''-rhamnosylglucoside],XZCHKGLKFIFPOH-UHFFFAOYSA-N
HMDB35491,884.476950878,C45H72O17,CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3",KDRHBRBDBYKMFS,UHFFFAOYSA,N,beta-Chacotriosyllilagen,KDRHBRBDBYKMFS-UHFFFAOYSA-N
HMDB35492,1236.613897866,C59H96O27,CC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5O)OC3CO)OC2CO)C(O)C(O)C1O,"InChI=1S/C59H96O27/c1-23-34(65)37(68)41(72)48(78-23)83-45-28(20-61)80-50(43(74)39(45)70)84-46-29(21-62)81-51(44(75)40(46)71)86-53(76)59-16-15-54(2,3)17-25(59)24-9-10-31-56(6)13-12-33(55(4,5)30(56)11-14-57(31,7)58(24,8)18-32(59)64)82-52-47(35(66)26(63)22-77-52)85-49-42(73)38(69)36(67)27(19-60)79-49/h9,23,25-52,60-75H,10-22H2,1-8H3",ISIYNDLTTHPMEA,UHFFFAOYSA,N,"(3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-[glucosyl-(1->2)-arabinoside] 28-[rhamnosyl-(1->4)-glucosyl-(1->4)-glucosyl] ester",ISIYNDLTTHPMEA-UHFFFAOYSA-N
HMDB35493,946.55011582,C48H82O18,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-43-40(60)36(56)33(53)26(20-50)63-43)23-11-16-47(7)31(23)24(51)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)65-42-39(59)37(57)34(54)27(64-42)21-61-41-38(58)35(55)32(52)25(19-49)62-41/h10,23-43,49-60H,9,11-21H2,1-8H3",RRDUCLRMPBYJEE,UHFFFAOYSA,N,Notoginsenoside K,RRDUCLRMPBYJEE-UHFFFAOYSA-N
HMDB35494,916.539551134,C47H80O17,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(36(56)34(54)27(20-49)61-42)63-40-37(57)32(52)25(51)21-59-40)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)62-41-38(58)35(55)33(53)26(19-48)60-41/h10,23-42,48-58H,9,11-21H2,1-8H3",IFSJMEMWKHAUOE,UHFFFAOYSA,N,Protopanaxadiol 3-glucoside 20-[arabinosyl-(1->2)-glucoside],IFSJMEMWKHAUOE-UHFFFAOYSA-N
HMDB35495,456.396730908,C31H52O2,COC1C=C2C3CC(C)(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12,"InChI=1S/C31H52O2/c1-26(2)14-15-28(5)16-17-30(7)20(21(28)19-26)18-22(33-9)25-29(6)12-11-24(32)27(3,4)23(29)10-13-31(25,30)8/h18,21-25,32H,10-17,19H2,1-9H3",VKGXBRHZFJRMOC,UHFFFAOYSA,N,Triptohypol F,VKGXBRHZFJRMOC-UHFFFAOYSA-N
HMDB35496,904.251976744,C56H40O12,OC1=CC=C(C=C1)C1OC2=C(C1C1=CC(O)=CC(O)=C1)C(\C=C\C1=CC3=C(OC(=C3C3=C4C(C(OC4=CC(O)=C3)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C3=CC=C(O)C=C3)C=C1)=CC(O)=C2,"InChI=1S/C56H40O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-51,54-55,57-65H/b3-1+",RKYGXSRYQYKCPA,HNQUOIGGSA,N,Vitisifuran B,RKYGXSRYQYKCPA-HNQUOIGGSA-N
HMDB35497,1200.665539506,C61H100O23,CCCCCCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C1O,"InChI=1S/C61H100O23/c1-9-10-11-12-13-14-25-76-50(74)48-45(72)47(81-54-49(42(69)40(67)34(28-63)79-54)83-51-43(70)38(65)32(64)29-77-51)46(73)53(82-48)80-37-18-19-58(6)35(57(37,4)5)17-20-60(8)36(58)16-15-30-31-26-56(2,3)21-23-61(31,24-22-59(30,60)7)55(75)84-52-44(71)41(68)39(66)33(27-62)78-52/h15,31-49,51-54,62-73H,9-14,16-29H2,1-8H3",FCQPCHWHTSQJMC,UHFFFAOYSA,N,Araloside S1,FCQPCHWHTSQJMC-UHFFFAOYSA-N
HMDB35498,1014.467174052,C49H74O22,CC1OC(OC2C(CO)OC(OCC3OC(OC4=C(O)C(C)=C5CCC6C7(C)CC(O)C(C(C)(O)C(=O)CCC(C)(C)OC(C)=O)C7(C)CC(=O)C6(C)C5=C4)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C49H74O22/c1-19-22-10-11-28-46(6)15-24(52)41(49(9,64)29(53)12-13-45(4,5)71-21(3)51)47(46,7)16-30(54)48(28,8)23(22)14-25(31(19)55)67-44-38(62)35(59)33(57)27(69-44)18-65-42-39(63)36(60)40(26(17-50)68-42)70-43-37(61)34(58)32(56)20(2)66-43/h14,20,24,26-28,32-44,50,52,55-64H,10-13,15-18H2,1-9H3",MTLIDTCASADKNT,UHFFFAOYSA,N,Fevicordin B 2-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside],MTLIDTCASADKNT-UHFFFAOYSA-N
HMDB35499,370.141638436,C21H22O6,COC1=CC2=C(C(O)CC(C)(C)O2)C(O)=C1C(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C21H22O6/c1-21(2)11-15(24)19-17(27-21)10-16(26-3)18(20(19)25)14(23)9-6-12-4-7-13(22)8-5-12/h4-10,15,22,24-25H,11H2,1-3H3/b9-6+",JMHUVLCRYBTWKZ,RMKNXTFCSA,N,Isoxanthohumol B,JMHUVLCRYBTWKZ-RMKNXTFCSA-N
HMDB35500,318.18310932,C19H26O4,CCCCCCCC1OC1C(OC(C)=O)C#CC#CC(O)C=C,"InChI=1S/C19H26O4/c1-4-6-7-8-9-13-18-19(23-18)17(22-15(3)20)14-11-10-12-16(21)5-2/h5,16-19,21H,2,4,6-9,13H2,1,3H3",GWHBQXMCXHWXBO,UHFFFAOYSA,N,Panaquinquecol 6,GWHBQXMCXHWXBO-UHFFFAOYSA-N
HMDB35501,336.136159128,C21H20O4,COC1=C(\C=C\C(=O)C2=CC=C(O)C=C2)C=CC2=C1C=CC(C)(C)O2,"InChI=1S/C21H20O4/c1-21(2)13-12-17-19(25-21)11-7-15(20(17)24-3)6-10-18(23)14-4-8-16(22)9-5-14/h4-13,22H,1-3H3/b10-6+",BOJUBZPEDAAMPG,UXBLZVDNSA,N,Licoagrochalcone B,BOJUBZPEDAAMPG-UXBLZVDNSA-N
HMDB35502,353.111066589,C16H19NO8,COC(=O)C(CO)OC(O[C@H](C#N)C1=CC=CC=C1)C(O)C(=O)OC,"InChI=1S/C16H19NO8/c1-22-14(20)12(9-18)25-16(13(19)15(21)23-2)24-11(8-17)10-6-4-3-5-7-10/h3-7,11-13,16,18-19H,9H2,1-2H3/t11-,12?,13?,16?/m1/s1",BQIOAYLGMWMRRP,MPXNVAGNSA,N,Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer),BQIOAYLGMWMRRP-MPXNVAGNSA-N
HMDB35503,248.141244506,C15H20O3,CCC(C)C(=O)OC1=CC=C(OC)C=C1\C=C\C,"InChI=1S/C15H20O3/c1-5-7-12-10-13(17-4)8-9-14(12)18-15(16)11(3)6-2/h5,7-11H,6H2,1-4H3/b7-5+",YARRWVYKHJNVHX,FNORWQNLSA,N,Pseudoisoeugenol 2-methylbutanoate,YARRWVYKHJNVHX-FNORWQNLSA-N
HMDB35504,864.190164348,C45H36O18,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C1=C(OC3(OC4=C(C1C3O)C(O)=C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)C(O)=C4)C1=CC(O)=C(O)C=C1)C=C2O,"InChI=1S/C45H36O18/c46-18-10-27(54)33-30(11-18)60-42(16-2-5-21(48)25(52)8-16)40(58)37(33)34-28(55)14-31-35(39(34)57)38-36-32(63-45(62-31,44(38)59)17-3-6-22(49)26(53)9-17)13-23(50)19-12-29(56)41(61-43(19)36)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-38,40-42,44,46-59H,12H2",SSOWHRNCDFFKAK,UHFFFAOYSA,N,"Epicatechin-(4beta->6)-epicatechin-(2beta->7,4beta->8)-epicatechin",SSOWHRNCDFFKAK-UHFFFAOYSA-N
HMDB35505,412.370516158,C29H48O,C\C=C(\CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,19-20,22,24-27H,8-18H2,1-6H3/b21-7-",ARTLJRSXUMKHFS,YXSASFKJSA,N,"(5alpha,24(28)Z)-Stigmast-24(28)-en-3-one",ARTLJRSXUMKHFS-YXSASFKJSA-N
HMDB35506,428.292659768,C27H40O4,CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C23C)OC11CCC(=C)CO1,"InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h16-22,24,28H,1,5-14H2,2-4H3",NTVAFGGHUHTGEK,UHFFFAOYSA,N,Schidigeragenin B,NTVAFGGHUHTGEK-UHFFFAOYSA-N
HMDB35507,884.440565372,C44H68O18,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(=C)CO1,"InChI=1S/C44H68O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-41-38(61-40-36(54)34(52)32(50)27(14-45)58-40)37(33(51)28(15-46)59-41)60-39-35(53)31(49)25(47)17-55-39/h19-28,30-41,45-47,49-54H,1,5-17H2,2-4H3",CIJLYOWWFYEYAN,UHFFFAOYSA,N,Schidigerasaponin B1,CIJLYOWWFYEYAN-UHFFFAOYSA-N
HMDB35508,378.240624198,C22H34O5,COC(=O)C1(CC23CC1CCC2C1(C)CCCC(C)(O)C1CC3)OC(C)=O,"InChI=1S/C22H34O5/c1-14(23)27-22(18(24)26-4)13-21-11-8-16-19(2,9-5-10-20(16,3)25)17(21)7-6-15(22)12-21/h15-17,25H,5-13H2,1-4H3",XLXLWRGGUYSHOH,UHFFFAOYSA,N,Annoglabasin F,XLXLWRGGUYSHOH-UHFFFAOYSA-N
HMDB35509,616.433904274,C37H60O7,CC(C)=CCCC(COC1OCC(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3,"InChI=1S/C37H60O7/c1-22(2)10-9-11-24(20-42-33-32(41)31(40)28(39)21-43-33)25-14-18-37(8)27-12-13-29-34(4,5)30(44-23(3)38)16-17-35(29,6)26(27)15-19-36(25,37)7/h10,24-25,28-33,39-41H,9,11-21H2,1-8H3",SBGVGAGMQOZWRL,UHFFFAOYSA,N,Tsugarioside B,SBGVGAGMQOZWRL-UHFFFAOYSA-N
HMDB35510,514.36582471,C32H50O5,CC(=C)C(O)CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O,"InChI=1S/C32H50O5/c1-19(2)25(34)11-9-21(28(35)36)22-13-17-32(8)24-10-12-26-29(4,5)27(37-20(3)33)15-16-30(26,6)23(24)14-18-31(22,32)7/h21-22,25-27,34H,1,9-18H2,2-8H3,(H,35,36)",IPHISYDAYNYHSC,UHFFFAOYSA,N,Tsugaric acid C,IPHISYDAYNYHSC-UHFFFAOYSA-N
HMDB35511,456.360345402,C30H48O3,[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@@H](CCC=C(C)C)C(O)=O,"InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1",NBSBUIQBEPROBM,GIICLEHTSA,N,Trametenolic acid B,NBSBUIQBEPROBM-GIICLEHTSA-N
HMDB35512,446.375995466,C29H50O3,COC1C=C2CC(O)CCC2(C)C2CCC3(C)C(CCC3C12)C(C)C(O)CC(C)C(C)C,"InChI=1S/C29H50O3/c1-17(2)18(3)14-25(31)19(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32-7/h16-19,21-27,30-31H,8-15H2,1-7H3",UYEMZAOCHUCHMG,UHFFFAOYSA,N,Schleicherastatin 3,UYEMZAOCHUCHMG-UHFFFAOYSA-N
HMDB35513,430.344695338,C28H46O3,CC(C)C(C)CC(O)C(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O,"InChI=1S/C28H46O3/c1-16(2)17(3)13-24(30)18(4)21-7-8-22-26-23(10-12-28(21,22)6)27(5)11-9-20(29)14-19(27)15-25(26)31/h15-18,20-24,26,29-30H,7-14H2,1-6H3",PKESXWKAOMUZDM,UHFFFAOYSA,N,Schleicherastatin 6,PKESXWKAOMUZDM-UHFFFAOYSA-N
HMDB35514,191.058243159,C10H9NO3,OC(=O)CC1C(O)=NC2=C1C=CC=C2,"InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)",ILGMGHZPXRDCCS,UHFFFAOYSA,N,"xi-2,3-Dihydro-2-oxo-1H-indole-3-acetic acid",ILGMGHZPXRDCCS-UHFFFAOYSA-N
HMDB35515,387.313729561,C25H41NO2,CCCCCCCCCC(=O)C1=CC(=CN=C1)C(=O)CCCCCCCCC,"InChI=1S/C25H41NO2/c1-3-5-7-9-11-13-15-17-24(27)22-19-23(21-26-20-22)25(28)18-16-14-12-10-8-6-4-2/h19-21H,3-18H2,1-2H3",TWSXMOSHPGZBJE,UHFFFAOYSA,N,"3,5-Didecanoylpyridine",TWSXMOSHPGZBJE-UHFFFAOYSA-N
HMDB35516,359.318814939,C24H41NO,CCCCCCCCCC(=O)C1=CN=C(CCCCCCCCC)C=C1,"InChI=1S/C24H41NO/c1-3-5-7-9-11-13-15-17-23-20-19-22(21-25-23)24(26)18-16-14-12-10-8-6-4-2/h19-21H,3-18H2,1-2H3",XPASABMPOWTXIB,UHFFFAOYSA,N,5-Decanoyl-2-nonylpyridine,XPASABMPOWTXIB-UHFFFAOYSA-N
HMDB35517,515.470230201,C34H61NO2,CCCCCCCCCC1C(=CNC=C1C(=O)CCCCCCCCC)C(=O)CCCCCCCCC,"InChI=1S/C34H61NO2/c1-4-7-10-13-16-19-22-25-30-31(33(36)26-23-20-17-14-11-8-5-2)28-35-29-32(30)34(37)27-24-21-18-15-12-9-6-3/h28-30,35H,4-27H2,1-3H3",WBCPDCHBBWAFSO,UHFFFAOYSA,N,"1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-decanone]",WBCPDCHBBWAFSO-UHFFFAOYSA-N
HMDB35518,543.501530329,C36H65NO2,CCCCCCCCCCCC(=O)C1=CNC=C(C1CCCCCCCCC)C(=O)CCCCCCCCC,"InChI=1S/C36H65NO2/c1-4-7-10-13-16-17-20-23-26-29-36(39)34-31-37-30-33(32(34)27-24-21-18-14-11-8-5-2)35(38)28-25-22-19-15-12-9-6-3/h30-32,37H,4-29H2,1-3H3",YBWDZBFATGBRLG,UHFFFAOYSA,N,"1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone",YBWDZBFATGBRLG-UHFFFAOYSA-N
HMDB35519,571.532830457,C38H69NO2,CCCCCCCCCCCC(=O)C1=CNC=C(C1CCCCCCCCC)C(=O)CCCCCCCCCCC,"InChI=1S/C38H69NO2/c1-4-7-10-13-16-18-21-24-27-30-37(40)35-32-39-33-36(34(35)29-26-23-20-15-12-9-6-3)38(41)31-28-25-22-19-17-14-11-8-5-2/h32-34,39H,4-31H2,1-3H3",CWQUIDDWEBMILK,UHFFFAOYSA,N,"1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-dodecanone]",CWQUIDDWEBMILK-UHFFFAOYSA-N
HMDB35520,518.23632668,C24H38O12,CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C,"InChI=1S/C24H38O12/c1-11-7-13(25)8-23(3,4)24(11,32)6-5-12(2)35-22-20(31)18(29)17(28)15(36-22)10-34-21-19(30)16(27)14(26)9-33-21/h5-7,12,14-22,26-32H,8-10H2,1-4H3/b6-5+",ZHAMWJWQXSZIAQ,AATRIKPKSA,N,Vomifoliol 9-[xylosyl-(1->6)-glucoside],ZHAMWJWQXSZIAQ-AATRIKPKSA-N
HMDB35521,596.465204402,C35H64O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(37)18-15-12-11-13-16-19-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3",FUIXSBBJEDTCNV,UHFFFAOYSA,N,Asitrocinone,FUIXSBBJEDTCNV-UHFFFAOYSA-N
HMDB35522,462.349780716,C32H46O2,CCCCCCCC1OC1CC#CC#CC1=CCC2CC\C(C)=C3\CC(C)(C)C3CCC2(C)O1,"InChI=1S/C32H46O2/c1-6-7-8-9-12-15-29-30(33-29)16-13-10-11-14-26-20-19-25-18-17-24(2)27-23-31(3,4)28(27)21-22-32(25,5)34-26/h20,25,28-30H,6-9,12,15-19,21-23H2,1-5H3/b27-24-",UZINSQVBXBQDEQ,PNHLSOANSA,N,Ginsenoyne M,UZINSQVBXBQDEQ-PNHLSOANSA-N
HMDB35523,462.349780716,C32H46O2,CCCCCCCC1OC1CC#CC#CC1=CCC2CC\C(C)=C/C3C(CCC2(C)O1)C3(C)C,"InChI=1S/C32H46O2/c1-6-7-8-9-12-15-29-30(33-29)16-13-10-11-14-26-20-19-25-18-17-24(2)23-28-27(31(28,3)4)21-22-32(25,5)34-26/h20,23,25,27-30H,6-9,12,15-19,21-22H2,1-5H3/b24-23-",VJQQQMJLGGRJCG,VHXPQNKSSA,N,Ginsenoyne N,VJQQQMJLGGRJCG-VHXPQNKSSA-N
HMDB35524,462.349780716,C32H46O2,CCCCCCCC1OC1CC#CC#CC1=CCC2CCC(=C)C3CC(C)(C)C3CCC2(C)O1,"InChI=1S/C32H46O2/c1-6-7-8-9-12-15-29-30(33-29)16-13-10-11-14-26-20-19-25-18-17-24(2)27-23-31(3,4)28(27)21-22-32(25,5)34-26/h20,25,27-30H,2,6-9,12,15-19,21-23H2,1,3-5H3",YYGGQNGAVIATMP,UHFFFAOYSA,N,Ginsenoyne L,YYGGQNGAVIATMP-UHFFFAOYSA-N
HMDB35525,356.125988372,C20H20O6,COC1=C(CC=C(C)C)C(O)=CC(O)=C1C1OC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C20H20O6/c1-10(2)4-6-12-14(22)9-15(23)17(19(12)25-3)20-18(24)13-7-5-11(21)8-16(13)26-20/h4-5,7-9,20-23H,6H2,1-3H3",WLDXQYSLYHUZTM,UHFFFAOYSA,N,Licofuranone,WLDXQYSLYHUZTM-UHFFFAOYSA-N
HMDB35526,368.125988372,C21H20O6,COC1=C(C(O)=CC2=C1CCC(C)(C)O2)C1=COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C21H20O6/c1-21(2)7-6-13-17(27-21)9-15(23)18(20(13)25-3)14-10-26-16-8-11(22)4-5-12(16)19(14)24/h4-5,8-10,22-23H,6-7H2,1-3H3",IEJGJZLXEWWZHI,UHFFFAOYSA,N,Glycyrrhizaisoflavone C,IEJGJZLXEWWZHI-UHFFFAOYSA-N
HMDB35527,370.10525293,C20H18O7,CC1(C)OC2=C(CC1O)C=C(C=C2)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C20H18O7/c1-20(2)15(23)6-10-5-9(3-4-13(10)27-20)19-18(25)17(24)16-12(22)7-11(21)8-14(16)26-19/h3-5,7-8,15,21-23,25H,6H2,1-2H3",UFWHTSBKDGUFOX,UHFFFAOYSA,N,Glycyrrhizaflavonol A,UFWHTSBKDGUFOX-UHFFFAOYSA-N
HMDB35528,628.289699654,C35H40N4O7,CCC1=C(CC2=C(C)C3=C(N2)\C(C(C(=O)OC)C3=O)=C2/N=C(CC3NC(=O)C(C=C)=C3C)C(C)C2CCC(O)=O)NC(C=O)=C1C,"InChI=1S/C35H40N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,14,17,21,23,30,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/b31-29-",ULSSSZOYSMVFIJ,YCNYHXFESA,N,Capsicum annuum Fluorescent chlorophyll catabolite,ULSSSZOYSMVFIJ-YCNYHXFESA-N
HMDB35529,292.050236611,C15H13ClO4,CC(C)=CCC1=C(Cl)C(=O)C2=C(O)C=CC(O)=C2C1=O,"InChI=1S/C15H13ClO4/c1-7(2)3-4-8-13(16)15(20)12-10(18)6-5-9(17)11(12)14(8)19/h3,5-6,17-18H,4H2,1-2H3",CRNOJRLIVCGQAY,UHFFFAOYSA,N,Chlorosesamone,CRNOJRLIVCGQAY-UHFFFAOYSA-N
HMDB35530,478.474981228,C32H62O2,CCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC,"InChI=1S/C32H62O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-29-32(34)30-31(33)28-26-24-22-10-8-6-4-2/h3-30H2,1-2H3",HJGKFCLPVNNLRE,UHFFFAOYSA,N,"10,12-Dotriacontanedione",HJGKFCLPVNNLRE-UHFFFAOYSA-N
HMDB35531,464.459331164,C31H60O2,CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC,"InChI=1S/C31H60O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-31(33)29-30(32)27-25-23-8-6-4-2/h3-29H2,1-2H3",AFUNKBMLTPDWPX,UHFFFAOYSA,N,"8,10-Hentriacontanedione",AFUNKBMLTPDWPX-UHFFFAOYSA-N
HMDB35532,450.4436811,C30H58O2,CCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC,"InChI=1S/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-30(32)28-29(31)26-24-22-20-18-12-10-8-6-4-2/h3-28H2,1-2H3",JLZREPQLKPXUNF,UHFFFAOYSA,N,"12,14-Triacontanedione",JLZREPQLKPXUNF-UHFFFAOYSA-N
HMDB35533,450.4436811,C30H58O2,CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCC,"InChI=1S/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-30(32)28-29(31)26-24-22-20-12-10-8-6-4-2/h3-28H2,1-2H3",DNAGKLQHEJMYRQ,UHFFFAOYSA,N,"11,13-Triacontanedione",DNAGKLQHEJMYRQ-UHFFFAOYSA-N
HMDB35534,450.4436811,C30H58O2,CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC,"InChI=1S/C30H58O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-30(32)28-29(31)26-24-22-20-10-8-6-4-2/h3-28H2,1-2H3",MLZRWTUVYZCXQG,UHFFFAOYSA,N,"10,12-Triacontanedione",MLZRWTUVYZCXQG-UHFFFAOYSA-N
HMDB35535,450.4436811,C30H58O2,CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC,"InChI=1S/C30H58O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(32)28-29(31)26-24-8-6-4-2/h3-28H2,1-2H3",KUWSHTWTAAEVLN,UHFFFAOYSA,N,"7,9-Triacontanedione",KUWSHTWTAAEVLN-UHFFFAOYSA-N
HMDB35536,436.428031036,C29H56O2,CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC,"InChI=1S/C29H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-29(31)27-28(30)25-23-21-19-10-8-6-4-2/h3-27H2,1-2H3",AURUSSOGYWEKTO,UHFFFAOYSA,N,"10,12-Nonacosanedione",AURUSSOGYWEKTO-UHFFFAOYSA-N
HMDB35537,436.428031036,C29H56O2,CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC,"InChI=1S/C29H56O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-29(31)27-28(30)25-23-6-4-2/h3-27H2,1-2H3",LAQLVMCXKLPRGG,UHFFFAOYSA,N,"6,8-Nonacosanedione",LAQLVMCXKLPRGG-UHFFFAOYSA-N
HMDB35538,422.412380972,C28H54O2,CCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC,"InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-28(30)26-27(29)24-22-20-18-16-12-10-8-6-4-2/h3-26H2,1-2H3",QMTTVPWWUFDPNG,UHFFFAOYSA,N,"12,14-Octacosanedione",QMTTVPWWUFDPNG-UHFFFAOYSA-N
HMDB35539,422.412380972,C28H54O2,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCC,"InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-28(30)26-27(29)24-22-20-18-12-10-8-6-4-2/h3-26H2,1-2H3",MVMRXTXLZRVLOT,UHFFFAOYSA,N,"11,13-Octacosanedione",MVMRXTXLZRVLOT-UHFFFAOYSA-N
HMDB35540,422.412380972,C28H54O2,CCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC,"InChI=1S/C28H54O2/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-28(30)26-27(29)24-22-20-18-10-8-6-4-2/h3-26H2,1-2H3",ZTFSMCSELVOHIY,UHFFFAOYSA,N,"10,12-Octacosanedione",ZTFSMCSELVOHIY-UHFFFAOYSA-N
HMDB35541,422.412380972,C28H54O2,CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC,"InChI=1S/C28H54O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28(30)26-27(29)24-22-20-8-6-4-2/h3-26H2,1-2H3",KRYSBUCJNMQZAY,UHFFFAOYSA,N,"8,10-Octacosanedione",KRYSBUCJNMQZAY-UHFFFAOYSA-N
HMDB35542,422.412380972,C28H54O2,CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC,"InChI=1S/C28H54O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(30)26-27(29)24-22-8-6-4-2/h3-26H2,1-2H3",IWCFDKOWVIQRIU,UHFFFAOYSA,N,"7,9-Octacosanedione",IWCFDKOWVIQRIU-UHFFFAOYSA-N
HMDB35543,422.412380972,C28H54O2,CCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC,"InChI=1S/C28H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(30)26-27(29)24-22-6-4-2/h3-26H2,1-2H3",QUCVGGHWXJIKGK,UHFFFAOYSA,N,"6,8-Octacosanedione",QUCVGGHWXJIKGK-UHFFFAOYSA-N
HMDB35544,422.412380972,C28H54O2,CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCC,"InChI=1S/C28H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(30)26-27(29)24-6-4-2/h3-26H2,1-2H3",XIHNOSKPPDYAGE,UHFFFAOYSA,N,"5,7-Octacosanedione",XIHNOSKPPDYAGE-UHFFFAOYSA-N
HMDB35545,408.396730908,C27H52O2,CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC,"InChI=1S/C27H52O2/c1-3-5-7-9-11-13-14-16-18-20-22-24-27(29)25-26(28)23-21-19-17-15-12-10-8-6-4-2/h3-25H2,1-2H3",KIIGOBUVEPNBDC,UHFFFAOYSA,N,"12,14-Heptacosanedione",KIIGOBUVEPNBDC-UHFFFAOYSA-N
HMDB35546,408.396730908,C27H52O2,CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC,"InChI=1S/C27H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-27(29)25-26(28)23-21-19-8-6-4-2/h3-25H2,1-2H3",UHOATHBKSXXQRF,UHFFFAOYSA,N,"8,10-Heptacosanedione",UHOATHBKSXXQRF-UHFFFAOYSA-N
HMDB35547,408.396730908,C27H52O2,CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC,"InChI=1S/C27H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h3-25H2,1-2H3",ZWDFZBUKKXMZLB,UHFFFAOYSA,N,"6,8-Heptacosanedione",ZWDFZBUKKXMZLB-UHFFFAOYSA-N
HMDB35548,408.396730908,C27H52O2,CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC,"InChI=1S/C27H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(29)25-26(28)23-4-2/h3-25H2,1-2H3",PWIHAABDKZGMJA,UHFFFAOYSA,N,"4,6-Heptacosanedione",PWIHAABDKZGMJA-UHFFFAOYSA-N
HMDB35549,394.381080844,C26H50O2,CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCC,"InChI=1S/C26H50O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-26(28)24-25(27)22-20-18-16-12-10-8-6-4-2/h3-24H2,1-2H3",LPLFQLPPNAQKPN,UHFFFAOYSA,N,"11,13-Hexacosanedione",LPLFQLPPNAQKPN-UHFFFAOYSA-N
HMDB35550,394.381080844,C26H50O2,CCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC,"InChI=1S/C26H50O2/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-26(28)24-25(27)22-20-18-16-10-8-6-4-2/h3-24H2,1-2H3",QRGPNJDPVLYXJF,UHFFFAOYSA,N,"10,12-Hexacosanedione",QRGPNJDPVLYXJF-UHFFFAOYSA-N
HMDB35551,394.381080844,C26H50O2,CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC,"InChI=1S/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-26(28)24-25(27)22-20-8-6-4-2/h3-24H2,1-2H3",SIZILKRQLSAJRX,UHFFFAOYSA,N,"7,9-Hexacosanedione",SIZILKRQLSAJRX-UHFFFAOYSA-N
HMDB35552,394.381080844,C26H50O2,CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC,"InChI=1S/C26H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(28)24-25(27)22-20-6-4-2/h3-24H2,1-2H3",XANVRSXHSSENGP,UHFFFAOYSA,N,"6,8-Hexacosanedione",XANVRSXHSSENGP-UHFFFAOYSA-N
HMDB35553,394.381080844,C26H50O2,CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCC,"InChI=1S/C26H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(28)24-25(27)22-6-4-2/h3-24H2,1-2H3",YQRDDYBTAIQGSK,UHFFFAOYSA,N,"5,7-Hexacosanedione",YQRDDYBTAIQGSK-UHFFFAOYSA-N
HMDB35554,394.381080844,C26H50O2,CCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC,"InChI=1S/C26H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(28)24-25(27)22-4-2/h3-24H2,1-2H3",LKWRCPGXXLRXFP,UHFFFAOYSA,N,"4,6-Hexacosanedione",LKWRCPGXXLRXFP-UHFFFAOYSA-N
HMDB35555,380.36543078,C25H48O2,CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC,"InChI=1S/C25H48O2/c1-3-5-7-9-11-12-13-14-16-18-20-22-25(27)23-24(26)21-19-17-15-10-8-6-4-2/h3-23H2,1-2H3",SOESCFNYWOSBQY,UHFFFAOYSA,N,"10,12-Pentacosanedione",SOESCFNYWOSBQY-UHFFFAOYSA-N
HMDB35556,380.36543078,C25H48O2,CCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC,"InChI=1S/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-8-6-4-2/h3-23H2,1-2H3",XKTPDMRYBCKQGZ,UHFFFAOYSA,N,"7,9-Pentacosanedione",XKTPDMRYBCKQGZ-UHFFFAOYSA-N
HMDB35557,380.36543078,C25H48O2,CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC,"InChI=1S/C25H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h3-23H2,1-2H3",ZQDADPUQAZWEGX,UHFFFAOYSA,N,"6,8-Pentacosanedione",ZQDADPUQAZWEGX-UHFFFAOYSA-N
HMDB35558,380.36543078,C25H48O2,CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC,"InChI=1S/C25H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(27)23-24(26)21-4-2/h3-23H2,1-2H3",OHQHRHJGILPHCW,UHFFFAOYSA,N,"4,6-Pentacosanedione",OHQHRHJGILPHCW-UHFFFAOYSA-N
HMDB35559,366.349780716,C24H46O2,CCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC,"InChI=1S/C24H46O2/c1-3-5-7-9-11-12-13-15-17-19-21-24(26)22-23(25)20-18-16-14-10-8-6-4-2/h3-22H2,1-2H3",VQDTVACKRQGYIK,UHFFFAOYSA,N,"10,12-Tetracosanedione",VQDTVACKRQGYIK-UHFFFAOYSA-N
HMDB35560,366.349780716,C24H46O2,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC,"InChI=1S/C24H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-24(26)22-23(25)20-18-8-6-4-2/h3-22H2,1-2H3",SXOSMRIOGCFODN,UHFFFAOYSA,N,"7,9-Tetracosanedione",SXOSMRIOGCFODN-UHFFFAOYSA-N
HMDB35561,366.349780716,C24H46O2,CCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC,"InChI=1S/C24H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-24(26)22-23(25)20-18-6-4-2/h3-22H2,1-2H3",WRNWXTDOIICBSH,UHFFFAOYSA,N,"6,8-Tetracosanedione",WRNWXTDOIICBSH-UHFFFAOYSA-N
HMDB35562,366.349780716,C24H46O2,CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCC,"InChI=1S/C24H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-23(25)20-6-4-2/h3-22H2,1-2H3",JUSCOPQPCVPZIJ,UHFFFAOYSA,N,"5,7-Tetracosanedione",JUSCOPQPCVPZIJ-UHFFFAOYSA-N
HMDB35563,366.349780716,C24H46O2,CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC,"InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-23(25)20-4-2/h3-22H2,1-2H3",HELWZCJQPKOOIY,UHFFFAOYSA,N,"4,6-Tetracosanedione",HELWZCJQPKOOIY-UHFFFAOYSA-N
HMDB35564,352.334130652,C23H44O2,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC,"InChI=1S/C23H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23(25)21-22(24)19-17-6-4-2/h3-21H2,1-2H3",XKMZZUYCBHPSGA,UHFFFAOYSA,N,"6,8-Tricosanedione",XKMZZUYCBHPSGA-UHFFFAOYSA-N
HMDB35565,352.334130652,C23H44O2,CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC,"InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h3-21H2,1-2H3",OSWNBDSFXXEWTJ,UHFFFAOYSA,N,"4,6-Tricosanedione",OSWNBDSFXXEWTJ-UHFFFAOYSA-N
HMDB35566,338.318480588,C22H42O2,CCCCCCCCCCCCCC(=O)CC(=O)CCCCCC,"InChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-8-6-4-2/h3-20H2,1-2H3",GDFKEQLEKXGCJB,UHFFFAOYSA,N,"7,9-Docosanedione",GDFKEQLEKXGCJB-UHFFFAOYSA-N
HMDB35567,338.318480588,C22H42O2,CCCCCCCCCCCCCCC(=O)CC(=O)CCCCC,"InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-6-4-2/h3-20H2,1-2H3",JFNKGJXCTSFELO,UHFFFAOYSA,N,"6,8-Docosanedione",JFNKGJXCTSFELO-UHFFFAOYSA-N
HMDB35568,338.318480588,C22H42O2,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCC,"InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-21(23)18-6-4-2/h3-20H2,1-2H3",LIVLDYFFASXFMN,UHFFFAOYSA,N,"5,7-Docosanedione",LIVLDYFFASXFMN-UHFFFAOYSA-N
HMDB35569,338.318480588,C22H42O2,CCCCCCCCCCCCCCCCC(=O)CC(=O)CCC,"InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-21(23)18-4-2/h3-20H2,1-2H3",WQFAWBQWACWQMD,UHFFFAOYSA,N,"4,6-Docosanedione",WQFAWBQWACWQMD-UHFFFAOYSA-N
HMDB35570,324.302830524,C21H40O2,CCCCCCCCCCCCCC(=O)CC(=O)CCCCC,"InChI=1S/C21H40O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(23)19-20(22)17-15-6-4-2/h3-19H2,1-2H3",MRBZNGRWKALXEA,UHFFFAOYSA,N,"6,8-Heneicosanedione",MRBZNGRWKALXEA-UHFFFAOYSA-N
HMDB35571,324.302830524,C21H40O2,CCCCCCCCCCCCCCCC(=O)CC(=O)CCC,"InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-20(22)17-4-2/h3-19H2,1-2H3",QTRYUTJOIDZDOP,UHFFFAOYSA,N,"4,6-Heneicosanedione",QTRYUTJOIDZDOP-UHFFFAOYSA-N
HMDB35572,310.28718046,C20H38O2,CCCCCCCCCCCCC(=O)CC(=O)CCCCC,"InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-15-17-20(22)18-19(21)16-14-6-4-2/h3-18H2,1-2H3",RPQVHNSWIOVYEA,UHFFFAOYSA,N,"6,8-Icosanedione",RPQVHNSWIOVYEA-UHFFFAOYSA-N
HMDB35573,310.28718046,C20H38O2,CCCCCCCCCCCCCC(=O)CC(=O)CCCC,"InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-6-4-2/h3-18H2,1-2H3",CJHBQGYRPYRMEB,UHFFFAOYSA,N,"5,7-Icosanedione",CJHBQGYRPYRMEB-UHFFFAOYSA-N
HMDB35574,310.28718046,C20H38O2,CCCCCCCCCCCCCCC(=O)CC(=O)CCC,"InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-4-2/h3-18H2,1-2H3",DVKCIVZAWWOUDL,UHFFFAOYSA,N,"4,6-Icosanedione",DVKCIVZAWWOUDL-UHFFFAOYSA-N
HMDB35575,296.271530396,C19H36O2,CCCCCCCCCCCCCC(=O)CC(=O)CCC,"InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(21)17-18(20)15-4-2/h3-17H2,1-2H3",ASSQAPAKOQZNJP,UHFFFAOYSA,N,"4,6-Nonadecanedione",ASSQAPAKOQZNJP-UHFFFAOYSA-N
HMDB35576,478.474981228,C32H62O2,CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCC,"InChI=1S/C32H62O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-32(34)30-31(33)28-26-24-22-12-10-8-6-4-2/h3-30H2,1-2H3",XZPRWCSRBIORRJ,UHFFFAOYSA,N,"11,13-Dotriacontanedione",XZPRWCSRBIORRJ-UHFFFAOYSA-N
HMDB35577,478.474981228,C32H62O2,CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC,"InChI=1S/C32H62O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32(34)30-31(33)28-26-24-22-20-12-10-8-6-4-2/h3-30H2,1-2H3",NBEFZVNVBXJZFK,UHFFFAOYSA,N,"12,14-Dotriacontanedione",NBEFZVNVBXJZFK-UHFFFAOYSA-N
HMDB35578,492.490631292,C33H64O2,CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC,"InChI=1S/C33H64O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-33(35)31-32(34)29-27-25-23-10-8-6-4-2/h3-31H2,1-2H3",FMVLYJUATISDME,UHFFFAOYSA,N,"10,12-Tritriacontanedione",FMVLYJUATISDME-UHFFFAOYSA-N
HMDB35579,274.193280076,C18H26O2,CCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C18H26O2/c1-2-3-4-5-6-7-11-14-17(19)15-18(20)16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3",DNOUOXHKVWWDSS,UHFFFAOYSA,N,"1-Phenyl-1,3-dodecanedione",DNOUOXHKVWWDSS-UHFFFAOYSA-N
HMDB35580,316.240230268,C21H32O2,CCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-20(22)18-21(23)19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3",LRUAQNOCINSQGB,UHFFFAOYSA,N,"1-Phenyl-1,3-pentadecanedione",LRUAQNOCINSQGB-UHFFFAOYSA-N
HMDB35581,330.255880332,C22H34O2,CCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(23)19-22(24)20-16-13-12-14-17-20/h12-14,16-17H,2-11,15,18-19H2,1H3",PYPCDBLMVZWDGV,UHFFFAOYSA,N,"1-Phenyl-1,3-hexadecanedione",PYPCDBLMVZWDGV-UHFFFAOYSA-N
HMDB35582,344.271530396,C23H36O2,CCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23(25)21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3",IPZRZZFTWQQXIU,UHFFFAOYSA,N,"1-Phenyl-1,3-heptadecanedione",IPZRZZFTWQQXIU-UHFFFAOYSA-N
HMDB35583,358.28718046,C24H38O2,CCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3",BKUAQOCVPRDREL,UHFFFAOYSA,N,"1-Phenyl-1,3-octadecanedione",BKUAQOCVPRDREL-UHFFFAOYSA-N
HMDB35584,372.302830524,C25H40O2,CCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(26)22-25(27)23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3",MVJPWTFBRAZGDC,UHFFFAOYSA,N,"1-Phenyl-1,3-nonadecanedione",MVJPWTFBRAZGDC-UHFFFAOYSA-N
HMDB35585,400.334130652,C27H44O2,CCCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C27H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)24-27(29)25-21-18-17-19-22-25/h17-19,21-22H,2-16,20,23-24H2,1H3",PVCWUUNBWBIRPO,UHFFFAOYSA,N,"1-Phenyl-1,3-heneicosanedione",PVCWUUNBWBIRPO-UHFFFAOYSA-N
HMDB35586,414.349780716,C28H46O2,CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C28H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(29)25-28(30)26-22-19-18-20-23-26/h18-20,22-23H,2-17,21,24-25H2,1H3",XXJYXMGEJZQJKL,UHFFFAOYSA,N,"1-Phenyl-1,3-docosanedione",XXJYXMGEJZQJKL-UHFFFAOYSA-N
HMDB35587,317.162708229,C18H23NO4,CC1=CC(OC1=O)C1CCCN1CCC\C=C1/OC(=O)C(C)=C1,"InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6-",HSICZNIIIPFAAO,NSIKDUERSA,N,Pandamarilactonine A,HSICZNIIIPFAAO-NSIKDUERSA-N
HMDB35588,448.100561482,C21H20O11,OC[C@H]1O[C@@H](OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",PEFNSGRTCBGNAN,QNDFHXLGSA,N,Luteolin 7-glucoside,PEFNSGRTCBGNAN-QNDFHXLGSA-N
HMDB35589,288.084517488,C12H16O8,OCC1OC(OC2=CC(O)=CC(O)=C2)C(O)C(O)C1O,"InChI=1S/C12H16O8/c13-4-8-9(16)10(17)11(18)12(20-8)19-7-2-5(14)1-6(15)3-7/h1-3,8-18H,4H2",WXTPOHDTGNYFSB,UHFFFAOYSA,N,Phlorin,WXTPOHDTGNYFSB-UHFFFAOYSA-N
HMDB35590,486.21011193,C23H34O11,CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC3OC(CO)C(O)C(O)C3O)C2(C)C11CO1,"InChI=1S/C23H34O11/c1-10-4-5-22(8-30-11(2)25)13(6-10)33-19-17(29)18(21(22,3)23(19)9-31-23)34-20-16(28)15(27)14(26)12(7-24)32-20/h6,12-20,24,26-29H,4-5,7-9H2,1-3H3",HUIYHYRPRGTYKA,UHFFFAOYSA,N,"15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside",HUIYHYRPRGTYKA-UHFFFAOYSA-N
HMDB35591,150.10446507,C10H14O,CC1=CC(=O)C2C(C1)C2(C)C,"InChI=1S/C10H14O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h5,7,9H,4H2,1-3H3",WDILKLCBAXJFIA,UHFFFAOYSA,N,3-Caren-5-one,WDILKLCBAXJFIA-UHFFFAOYSA-N
HMDB35593,222.161979948,C14H22O2,CC1C(O)C(O)CC2=C1CC(CC2)C(C)=C,"InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3",XSCYYIVXGBKTOC,UHFFFAOYSA,N,Rishitin,XSCYYIVXGBKTOC-UHFFFAOYSA-N
HMDB35594,454.344695338,C30H46O3,CC1(C)C2CCC3=C(CCC4(C)C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1=O,"InChI=1S/C30H46O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-22H,8-18H2,1-7H3,(H,32,33)",XKLPFWHBIRYSNP,UHFFFAOYSA,N,Bryononic acid,XKLPFWHBIRYSNP-UHFFFAOYSA-N
HMDB35595,172.146329884,C10H20O2,CC(C)(O)C1CCC(C)(O)CC1,"InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3",RBNWAMSGVWEHFP,UHFFFAOYSA,N,"trans-p-Menthane-1,8-diol",RBNWAMSGVWEHFP-UHFFFAOYSA-N
HMDB35596,262.120509064,C15H18O4,CC1=C2C3OC(=O)C(=C)C3CCC2(C)C(O)CC1=O,"InChI=1S/C15H18O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9,11,13,17H,1,4-6H2,2-3H3",QPXLDBMZJNDASA,UHFFFAOYSA,N,Armexifolin,QPXLDBMZJNDASA-UHFFFAOYSA-N
HMDB35597,252.172544634,C15H24O3,CC1=C2CC(CCC2(C)CC(O)C1=O)C(C)(C)O,"InChI=1S/C15H24O3/c1-9-11-7-10(14(2,3)18)5-6-15(11,4)8-12(16)13(9)17/h10,12,16,18H,5-8H2,1-4H3",YLPXRNRUEGWUKL,UHFFFAOYSA,N,alpha-Carissanol,YLPXRNRUEGWUKL-UHFFFAOYSA-N
HMDB35598,330.073952802,C17H14O7,COC1=CC2=C(C3CC(O)OC3O2)C2=C1C1=C(C(=O)CC1)C(=O)O2,"InChI=1S/C17H14O7/c1-21-9-5-10-14(7-4-11(19)23-17(7)22-10)15-13(9)6-2-3-8(18)12(6)16(20)24-15/h5,7,11,17,19H,2-4H2,1H3",PFQSKXVNBUHPIW,UHFFFAOYSA,N,Aflatoxin B2a,PFQSKXVNBUHPIW-UHFFFAOYSA-N
HMDB35599,476.277403634,C27H40O7,CC(CCC(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(CO)C1CC3O,"InChI=1S/C27H40O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-16,18,20,28-29,32H,6-13H2,1-5H3,(H,33,34)",PWSMDKBWXADYJS,UHFFFAOYSA,N,Lucidenic acid G,PWSMDKBWXADYJS-UHFFFAOYSA-N
HMDB35600,152.120115134,C10H16O,CC(C)C1CCC(C=O)=CC1,"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3",AEVLWICMAHGAMS,UHFFFAOYSA,N,(S)-Phellandral,AEVLWICMAHGAMS-UHFFFAOYSA-N
HMDB35601,164.120115134,C11H16O,CC\C=C/CC1=C(C)CCC1=O,"InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-",XMLSXPIVAXONDL,PLNGDYQASA,N,(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one,XMLSXPIVAXONDL-PLNGDYQASA-N
HMDB35602,314.188194698,C20H26O3,CC12C=CC3=C(C=CO3)C1CCC13CC(CCC21)C(O)(CO)C3,"InChI=1S/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h5-7,9,13,15,17,21-22H,2-4,8,10-12H2,1H3",JEKMKNDURXDJAD,UHFFFAOYSA,N,Kahweol,JEKMKNDURXDJAD-UHFFFAOYSA-N
HMDB35603,524.225761994,C26H36O11,CC12CC(=O)C3=C(C=CO3)C1CCC13CC(CC(O)C21)C(O)(COC1OC(CO)C(O)C(O)C1O)C3O,"InChI=1S/C26H36O11/c1-24-8-15(29)20-12(3-5-35-20)13(24)2-4-25-7-11(6-14(28)21(24)25)26(34,23(25)33)10-36-22-19(32)18(31)17(30)16(9-27)37-22/h3,5,11,13-14,16-19,21-23,27-28,30-34H,2,4,6-10H2,1H3",SJBDVPKAXKLGPV,UHFFFAOYSA,N,Mascaroside,SJBDVPKAXKLGPV-UHFFFAOYSA-N
HMDB35604,152.120115134,C10H16O,CC1CCC(=C(C)C)C(=O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3",NZGWDASTMWDZIW,UHFFFAOYSA,N,(R)-p-Menth-4(8)-en-3-one,NZGWDASTMWDZIW-UHFFFAOYSA-N
HMDB35605,570.355653954,C34H50O7,CC(C(O)C\C=C(/C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O,"InChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(37)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(40-21(3)35)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+",XITBGHDSLKRVMR,VXLYETTFSA,N,"3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid",XITBGHDSLKRVMR-VXLYETTFSA-N
HMDB35606,612.36621864,C36H52O8,CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O,"InChI=1S/C36H52O8/c1-20(32(40)41)11-13-28(42-22(3)37)21(2)27-19-31(44-24(5)39)36(10)26-12-14-29-33(6,7)30(43-23(4)38)16-17-34(29,8)25(26)15-18-35(27,36)9/h11-12,15,21,27-31H,13-14,16-19H2,1-10H3,(H,40,41)/b20-11+",OCLVBEOPEKEKNM,RGVLZGJSSA,N,"(24E)-3beta,15alpha,22S-Triacetoxylanosta-7,9(11),24-trien-26-oic acid",OCLVBEOPEKEKNM-RGVLZGJSSA-N
HMDB35607,650.402998076,C36H58O10,CC(C)=CC(O)CC1(C)OC1C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1,"InChI=1S/C36H58O10/c1-19(2)14-20(38)15-35(7)30(46-35)21-8-9-24-33(5)12-11-25(45-31-29(42)28(41)27(40)22(17-37)44-31)32(3,4)23(33)10-13-34(24,6)36(21)16-26(39)43-18-36/h14,20-25,27-31,37-38,40-42H,8-13,15-18H2,1-7H3",KPOSIVPPNIGLFV,UHFFFAOYSA,N,Saponin H,KPOSIVPPNIGLFV-UHFFFAOYSA-N
HMDB35608,390.116211546,C16H22O11,OCC1OC(OC2OC=C(C3C=CC(O)(CO)C23)C(O)=O)C(O)C(O)C1O,"InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)",HPWWQPXTUDMRBI,UHFFFAOYSA,N,Monotropein,HPWWQPXTUDMRBI-UHFFFAOYSA-N
HMDB35609,346.141638436,C19H22O6,CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C=CC2O)C(=C)C5O,"InChI=1S/C19H22O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h5-6,9-14,20-21H,1,3-4,7H2,2H3,(H,22,23)",ZKSDYVWXHSIQFM,UHFFFAOYSA,N,Gibberellin A68,ZKSDYVWXHSIQFM-UHFFFAOYSA-N
HMDB35610,428.204632622,C21H32O9,CC1C2CCC3(C)C(CC(=O)C(C)C3C2OC1=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H32O9/c1-8-10-4-5-21(3)13(6-11(23)9(2)14(21)18(10)30-19(8)27)29-20-17(26)16(25)15(24)12(7-22)28-20/h8-10,12-18,20,22,24-26H,4-7H2,1-3H3",ZNBJBJUEJZNPLD,UHFFFAOYSA,N,Taraxacolide 1-O-b-D-glucopyranoside,ZNBJBJUEJZNPLD-UHFFFAOYSA-N
HMDB35611,426.386166222,C30H50O,CC(C)=CCCC(=C)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC21C,"InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,22-26,31H,3,9,11-19H2,1-2,4-8H3",WZAMDSBJONFHAO,UHFFFAOYSA,N,Dammaradienol,WZAMDSBJONFHAO-UHFFFAOYSA-N
HMDB35612,216.151415262,C15H20O,CC(CC(=O)C=C(C)C)C1=CC=C(C)C=C1,"InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3",NAAJVHHFAXWBOK,UHFFFAOYSA,N,(R)-ar-Turmerone,NAAJVHHFAXWBOK-UHFFFAOYSA-N
HMDB35613,252.172544634,C15H24O3,CC1C(O)C(O)CC(C=O)C11CCC(C1)C(C)=C,"InChI=1S/C15H24O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h8,10-14,17-18H,1,4-7H2,2-3H3",YIGYYGXJIDAEOF,UHFFFAOYSA,N,Epioxylubimin,YIGYYGXJIDAEOF-UHFFFAOYSA-N
HMDB35615,454.344695338,C30H46O3,CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C,"InChI=1S/C30H46O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-23H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+",MZPNVEOVZSHYMZ,AWQFTUOYSA,N,Mangiferonic acid,MZPNVEOVZSHYMZ-AWQFTUOYSA-N
HMDB35616,302.07903818,C16H14O6,COC1=C(\C=C\C(=O)C2=CC(O)=C(O)C=C2)C=CC(O)=C1O,"InChI=1S/C16H14O6/c1-22-16-9(3-7-13(19)15(16)21)2-5-11(17)10-4-6-12(18)14(20)8-10/h2-8,18-21H,1H3/b5-2+",BICPGUILWBQAEY,GORDUTHDSA,N,"3,3',4,4'-Tetrahydroxy-2-methoxychalcone",BICPGUILWBQAEY-GORDUTHDSA-N
HMDB35617,410.412380972,C27H54O2,CCCCCCCCCCCCCCCCCCCC(=O)CC(O)CCCCC,"InChI=1S/C27H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h26,28H,3-25H2,1-2H3",YFSISXAKEZHDMI,UHFFFAOYSA,N,6-Hydroxy-8-heptacosanone,YFSISXAKEZHDMI-UHFFFAOYSA-N
HMDB35618,410.412380972,C27H54O2,CCCCCCCCCCCCCCCCCCCCCC(=O)CC(O)CCC,"InChI=1S/C27H54O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(29)25-26(28)23-4-2/h26,28H,3-25H2,1-2H3",QKRAILWBHKPTOP,UHFFFAOYSA,N,4-Hydroxy-6-heptacosanone,QKRAILWBHKPTOP-UHFFFAOYSA-N
HMDB35619,136.125200512,C10H16,CC1=CCC2C(C1)C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",BQOFWKZOCNGFEC,UHFFFAOYSA,N,alpha-Carene,BQOFWKZOCNGFEC-UHFFFAOYSA-N
HMDB35620,280.13107375,C15H20O5,CC1C2CCC(C)(O)C3=C(C2OC1=O)C(C)(O)CC3=O,"InChI=1S/C15H20O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-8,12,18-19H,4-6H2,1-3H3",ZSOYDVICJGNUTP,UHFFFAOYSA,N,Artabsinolide A,ZSOYDVICJGNUTP-UHFFFAOYSA-N
HMDB35621,554.360739332,C34H50O6,CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CCC2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O,"InChI=1S/C34H50O6/c1-20(30(37)38)10-12-27(39-22(3)35)21(2)24-14-18-34(9)26-11-13-28-31(5,6)29(40-23(4)36)16-17-32(28,7)25(26)15-19-33(24,34)8/h10-11,15,21,24,27-29H,12-14,16-19H2,1-9H3,(H,37,38)/b20-10+",RXLRLJSRXDHQCH,KEBDBYFISA,N,Ganoderic acid R,RXLRLJSRXDHQCH-KEBDBYFISA-N
HMDB35622,152.120115134,C10H16O,CC(=C)[C@H]1CC=C(C)[C@@H](O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m0/s1",BAVONGHXFVOKBV,UWVGGRQHSA,N,(+)-cis-Carveol,BAVONGHXFVOKBV-UWVGGRQHSA-N
HMDB35623,538.453851856,C40H58,CC(C\C=C/C=C(\C)/C=C/C=C(\C)/C=C\C=C(\C)CCC=C(C)C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-19,22-27,29-30,34H,13,17,20-21,28,31H2,1-10H3/b12-11-,22-14+,23-16+,26-15-,30-29+,33-19+,35-24-,36-25+,37-27-",IDTBULZJFGAQSB,PEUOJFINSA,N,beta-Zeacarotene,IDTBULZJFGAQSB-PEUOJFINSA-N
HMDB35624,472.318874518,C29H44O5,CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC23C)C2(C)CCC(=O)C(CO)(CO)C2CC4)O1,"InChI=1S/C29H44O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-23,30-31H,6-17H2,1-5H3",DIKWKAQBKMFLHS,UHFFFAOYSA,N,"(17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione",DIKWKAQBKMFLHS-UHFFFAOYSA-N
HMDB35625,136.125200512,C10H16,CC1(C)C2CCC1C(=C)C2,"InChI=1S/C10H16/c1-7-6-8-4-5-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",XCPQUQHBVVXMRQ,UHFFFAOYSA,N,"(-)-7,7-Dimethyl-2-methylenebicyclo[2.2.1]heptane",XCPQUQHBVVXMRQ-UHFFFAOYSA-N
HMDB35626,496.230847372,C25H36O10,CCC(C)(O)C(=O)OC1C2C(C)C(O)C3(O)OCC22C3C3(C)C(O)C(O)C=C(C)C3CC2OC1=O,"InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3",LZKVXMYVBSNXER,UHFFFAOYSA,N,Glaucarubin,LZKVXMYVBSNXER-UHFFFAOYSA-N
HMDB35627,514.293053698,C30H42O7,CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O,"InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)",YTVGSCZIHGRVAV,UHFFFAOYSA,N,Ganoderic acid C1,YTVGSCZIHGRVAV-UHFFFAOYSA-N
HMDB35628,396.396730908,C26H52O2,CCCCCCCCCCCCCCCCCCC(=O)CC(O)CCCCC,"InChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(28)24-25(27)22-20-6-4-2/h25,27H,3-24H2,1-2H3",AZPCZHMEQBFZQM,UHFFFAOYSA,N,6-Hydroxy-8-hexacosanone,AZPCZHMEQBFZQM-UHFFFAOYSA-N
HMDB35629,382.381080844,C25H50O2,CCCCCCCCCCCCCCCCCC(=O)CC(O)CCCCC,"InChI=1S/C25H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h24,26H,3-23H2,1-2H3",GWONURZMUVCQJN,UHFFFAOYSA,N,6-Hydroxy-8-pentacosanone,GWONURZMUVCQJN-UHFFFAOYSA-N
HMDB35630,382.381080844,C25H50O2,CCCCCCCCCCCCCCCCCCCC(=O)CC(O)CCC,"InChI=1S/C25H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(27)23-24(26)21-4-2/h24,26H,3-23H2,1-2H3",SXAOJJRLCHVAGW,UHFFFAOYSA,N,4-Hydroxy-6-pentacosanone,SXAOJJRLCHVAGW-UHFFFAOYSA-N
HMDB35631,206.167065326,C14H22O,CC1CC=C(C)C(\C=C\C(C)=O)C1(C)C,"InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+",JZQOJFLIJNRDHK,CMDGGOBGSA,N,alpha-Irone,JZQOJFLIJNRDHK-CMDGGOBGSA-N
HMDB35632,382.381080844,C25H50O2,CCCCCCCCCCCCCCCCCCCC(O)CC(=O)CCC,"InChI=1S/C25H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(27)23-24(26)21-4-2/h25,27H,3-23H2,1-2H3",IYLKIYDSYKTDKK,UHFFFAOYSA,N,6-Hydroxy-4-pentacosanone,IYLKIYDSYKTDKK-UHFFFAOYSA-N
HMDB35633,368.36543078,C24H48O2,CCCCCCCCCCCCCCCCCC(=O)CC(O)CCCC,"InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-23(25)20-6-4-2/h23,25H,3-22H2,1-2H3",QQVTXKCJJWFFGH,UHFFFAOYSA,N,5-Hydroxy-7-tetracosanone,QQVTXKCJJWFFGH-UHFFFAOYSA-N
HMDB35634,332.18350325,C16H28O7,C\C(COC1OC(CO)C(O)C(O)C1O)=C/CCC(C)(O)C=C,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6+",WEHZDNHJZBEGME,UXBLZVDNSA,N,Betulalbuside A,WEHZDNHJZBEGME-UXBLZVDNSA-N
HMDB35635,476.189376488,C21H32O12,CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2C3OC3C(O)(CO)C12,"InChI=1S/C21H32O12/c1-8(2)3-11(24)32-19-13-12(17-18(33-17)21(13,28)7-23)9(5-29-19)6-30-20-16(27)15(26)14(25)10(4-22)31-20/h5,8,10,12-20,22-23,25-28H,3-4,6-7H2,1-2H3",CHSDMOZSQFIUGK,UHFFFAOYSA,N,Kanokoside A,CHSDMOZSQFIUGK-UHFFFAOYSA-N
HMDB35636,368.36543078,C24H48O2,CCCCCCCCCCCCCCCCCCC(=O)CC(O)CCC,"InChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-23(25)20-4-2/h23,25H,3-22H2,1-2H3",VVFQRCWTWFXTJM,UHFFFAOYSA,N,4-Hydroxy-6-tetracosanone,VVFQRCWTWFXTJM-UHFFFAOYSA-N
HMDB35637,332.198759384,C20H28O4,C\C=C(/C)C(=O)OC1CCC2=CC(=O)C(=CC2(C)C1C)C(C)(C)O,"InChI=1S/C20H28O4/c1-7-12(2)18(22)24-17-9-8-14-10-16(21)15(19(4,5)23)11-20(14,6)13(17)3/h7,10-11,13,17,23H,8-9H2,1-6H3/b12-7+",ITHGBLBTVGSKLJ,KPKJPENVSA,N,Petasitin,ITHGBLBTVGSKLJ-KPKJPENVSA-N
HMDB35638,354.349780716,C23H46O2,CCCCCCCCCCCCCCCC(=O)CC(O)CCCCC,"InChI=1S/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23(25)21-22(24)19-17-6-4-2/h22,24H,3-21H2,1-2H3",GGVGQHOCWYXITR,UHFFFAOYSA,N,6-Hydroxy-8-tricosanone,GGVGQHOCWYXITR-UHFFFAOYSA-N
HMDB35639,234.161979948,C15H22O2,CC1CCCC2CC3=C(C(O)C12C)C(C)=CO3,"InChI=1S/C15H22O2/c1-9-8-17-12-7-11-6-4-5-10(2)15(11,3)14(16)13(9)12/h8,10-11,14,16H,4-7H2,1-3H3",ANKFPIBCTISOBX,UHFFFAOYSA,N,Petasalbin,ANKFPIBCTISOBX-UHFFFAOYSA-N
HMDB35640,430.323565966,C31H42O,CC(=O)C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C31H42O/c1-24(14-9-10-15-25(2)18-12-19-27(4)29(6)32)16-11-17-26(3)21-22-30-28(5)20-13-23-31(30,7)8/h9-12,14-19,21-22H,13,20,23H2,1-8H3/b10-9-,16-11+,18-12+,22-21+,24-14+,25-15+,26-17-,27-19+",SLQHGWZKKZPZEK,ZQFWBWLTSA,N,Sintaxanthin,SLQHGWZKKZPZEK-ZQFWBWLTSA-N
HMDB35641,446.318480588,C31H42O2,CC(=O)C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C,"InChI=1S/C31H42O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-20,29,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+",PJAPZIZSFGWFOQ,MBEKKZSISA,N,3-Hydroxysintaxanthin,PJAPZIZSFGWFOQ-MBEKKZSISA-N
HMDB35642,354.349780716,C23H46O2,CCCCCCCCCCCCCCCC(O)CC(=O)CCCCC,"InChI=1S/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23(25)21-22(24)19-17-6-4-2/h23,25H,3-21H2,1-2H3",NZLZNQVVYRRAAH,UHFFFAOYSA,N,8-Hydroxy-6-tricosanone,NZLZNQVVYRRAAH-UHFFFAOYSA-N
HMDB35643,218.167065326,C15H22O,C\C(CC\C=C(\C)C=O)=C/CCC(=C)C=C,"InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11-",NOPLRNXKHZRXHT,PVMFERMNSA,N,beta-Sinensal,NOPLRNXKHZRXHT-PVMFERMNSA-N
HMDB35644,266.151809192,C15H22O4,CC1CCCC2CC3(O)OC(=O)C(C)=C3C(O)C12C,"InChI=1S/C15H22O4/c1-8-5-4-6-10-7-15(18)11(9(2)13(17)19-15)12(16)14(8,10)3/h8,10,12,16,18H,4-7H2,1-3H3",HOZOKRDCQVUMIA,UHFFFAOYSA,N,"(6beta,8betaOH)-6,8-Dihydroxy-7(11)-eremophilen-12,8-olide",HOZOKRDCQVUMIA-UHFFFAOYSA-N
HMDB35645,220.18271539,C15H24O,CC1CCC23OC12CC(CCC3C)C(C)=C,"InChI=1S/C15H24O/c1-10(2)13-6-5-11(3)14-8-7-12(4)15(14,9-13)16-14/h11-13H,1,5-9H2,2-4H3",RGRYQUWGSJPMMK,UHFFFAOYSA,N,Epoxyguaiene,RGRYQUWGSJPMMK-UHFFFAOYSA-N
HMDB35646,120.02450019,C4H8O2S,COC(=O)CSC,"InChI=1S/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3",HZYCAKGEXXKCDM,UHFFFAOYSA,N,Methyl 2-(methylthio)acetate,HZYCAKGEXXKCDM-UHFFFAOYSA-N
HMDB35647,266.151809192,C15H22O4,CC1C2CC\C(CO)=C/CC(O)\C(C)=C/C2OC1=O,"InChI=1S/C15H22O4/c1-9-7-14-12(10(2)15(18)19-14)5-3-11(8-16)4-6-13(9)17/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-7-,11-4+",KUERQAIAYCRGOB,WHIYXEERSA,N,"3,14-Dihydroxy-11,13-dihydrocostunolide",KUERQAIAYCRGOB-WHIYXEERSA-N
HMDB35648,236.177630012,C15H24O2,CC1CC(=O)CC(CO)C11CCC(C1)C(C)=C,"InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-13,16H,1,4-9H2,2-3H3",YKAYVNCAHDGJNI,UHFFFAOYSA,N,Isolubimin,YKAYVNCAHDGJNI-UHFFFAOYSA-N
HMDB35649,354.349780716,C23H46O2,CCCCCCCCCCCCCCCCCC(=O)CC(O)CCC,"InChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h22,24H,3-21H2,1-2H3",BSEXCTWVVZZKPE,UHFFFAOYSA,N,4-Hydroxy-6-tricosanone,BSEXCTWVVZZKPE-UHFFFAOYSA-N
HMDB35650,354.349780716,C23H46O2,CCCCCCCCCCCCCCCCCC(O)CC(=O)CCC,"InChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h23,25H,3-21H2,1-2H3",QWHZKWJRMLWHDH,UHFFFAOYSA,N,6-Hydroxy-4-tricosanone,QWHZKWJRMLWHDH-UHFFFAOYSA-N
HMDB35651,340.334130652,C22H44O2,CCCCCCCCCCCCCCC(=O)CC(O)CCCCC,"InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-6-4-2/h21,23H,3-20H2,1-2H3",BTQBYWOOCWQDQS,UHFFFAOYSA,N,6-Hydroxy-8-docosanone,BTQBYWOOCWQDQS-UHFFFAOYSA-N
HMDB35652,165.115364107,C10H15NO,CC(=C)C1CCC(\C=N\O)=CC1,"InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/b11-7+",XCOJIVIDDFTHGB,YRNVUSSQSA,N,Perilla sugar,XCOJIVIDDFTHGB-YRNVUSSQSA-N
HMDB35654,294.292265838,C20H38O,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\C=O,"InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+",RAFZYSUICBQABU,HMMYKYKNSA,N,Phytal,RAFZYSUICBQABU-HMMYKYKNSA-N
HMDB35655,340.334130652,C22H44O2,CCCCCCCCCCCCCCC(O)CC(=O)CCCCC,"InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-6-4-2/h22,24H,3-20H2,1-2H3",CZYQLDGGYGBNJN,UHFFFAOYSA,N,8-Hydroxy-6-docosanone,CZYQLDGGYGBNJN-UHFFFAOYSA-N
HMDB35656,152.120115134,C10H16O,CC1C2CC(CC1=O)C2(C)C,"InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3",MQPHVIPKLRXGDJ,UHFFFAOYSA,N,3-Pinanone,MQPHVIPKLRXGDJ-UHFFFAOYSA-N
HMDB35657,218.167065326,C15H22O,CC1CC(=O)C=C(C)C11CCC(C1)C(C)=C,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3",FGCUSSRGQNHZRW,UHFFFAOYSA,N,Solavetivone,FGCUSSRGQNHZRW-UHFFFAOYSA-N
HMDB35658,136.125200512,C10H16,CC1=CC[C@@H]2C[C@H]1C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1",GRWFGVWFFZKLTI,RKDXNWHRSA,N,(-)-alpha-Pinene,GRWFGVWFFZKLTI-RKDXNWHRSA-N
HMDB35659,59.966755777,O2Si,O=[Si]=O,InChI=1S/O2Si/c1-3-2,VYPSYNLAJGMNEJ,UHFFFAOYSA,N,Silica,VYPSYNLAJGMNEJ-UHFFFAOYSA-N
HMDB35660,340.334130652,C22H44O2,CCCCCCCCCCCCCCCC(=O)CC(O)CCCC,"InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-21(23)18-6-4-2/h21,23H,3-20H2,1-2H3",SUFHEDZZYKPXPX,UHFFFAOYSA,N,5-Hydroxy-7-docosanone,SUFHEDZZYKPXPX-UHFFFAOYSA-N
HMDB35662,222.198365454,C15H26O,CC(C)=CCCC(C)=CCCC(C)(O)C=C,"InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3",FQTLCLSUCSAZDY,UHFFFAOYSA,N,Nerolidol,FQTLCLSUCSAZDY-UHFFFAOYSA-N
HMDB35663,222.198365454,C15H26O,C=C[C@@](C)(O)CC\C=C(\C)CCC=C(C)C,"InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m1/s1",FQTLCLSUCSAZDY,QKXCFHHRSA,N,(S)-Nerolidol,FQTLCLSUCSAZDY-QKXCFHHRSA-N
HMDB35664,498.152597052,C26H26O10,CC12OC(=O)C3OC13C(C)(C)C(=O)C1(O)CC34OC3CCC3(C)C(OC(=O)C(=C43)C21O)C1=COC=C1,"InChI=1S/C26H26O10/c1-20(2)19(29)24(30)10-23-12(34-23)5-7-21(3)14(23)13(17(27)33-15(21)11-6-8-32-9-11)25(24,31)22(4)26(20)16(35-26)18(28)36-22/h6,8-9,12,15-16,30-31H,5,7,10H2,1-4H3",CDCHBVSDWNDPOE,UHFFFAOYSA,N,Dukunolide B,CDCHBVSDWNDPOE-UHFFFAOYSA-N
HMDB35665,216.089877638,C12H12N2O2,OC(=O)C1CC2=C(CN1)NC1=CC=CC=C21,"InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)",FSNCEEGOMTYXKY,UHFFFAOYSA,N,"L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid",FSNCEEGOMTYXKY-UHFFFAOYSA-N
HMDB35667,340.334130652,C22H44O2,CCCCCCCCCCCCCCCCC(=O)CC(O)CCC,"InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-21(23)18-4-2/h21,23H,3-20H2,1-2H3",GBEUDUOROXAYDL,UHFFFAOYSA,N,4-Hydroxy-6-docosanone,GBEUDUOROXAYDL-UHFFFAOYSA-N
HMDB35668,326.318480588,C21H42O2,CCCCCCCCCCCCCC(=O)CC(O)CCCCC,"InChI=1S/C21H42O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(23)19-20(22)17-15-6-4-2/h20,22H,3-19H2,1-2H3",HZCLQZNWJWBYLN,UHFFFAOYSA,N,6-Hydroxy-8-heneicosanone,HZCLQZNWJWBYLN-UHFFFAOYSA-N
HMDB35669,326.318480588,C21H42O2,CCCCCCCCCCCCCC(O)CC(=O)CCCCC,"InChI=1S/C21H42O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(23)19-20(22)17-15-6-4-2/h21,23H,3-19H2,1-2H3",DGNKBERWNULYNK,UHFFFAOYSA,N,8-Hydroxy-6-heneicosanone,DGNKBERWNULYNK-UHFFFAOYSA-N
HMDB35670,326.318480588,C21H42O2,CCCCCCCCCCCCCCCC(=O)CC(O)CCC,"InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-20(22)17-4-2/h20,22H,3-19H2,1-2H3",TZOSAMFFAMREPQ,UHFFFAOYSA,N,4-Hydroxy-6-heneicosanone,TZOSAMFFAMREPQ-UHFFFAOYSA-N
HMDB35671,326.318480588,C21H42O2,CCCCCCCCCCCCCCCC(O)CC(=O)CCC,"InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-20(22)17-4-2/h21,23H,3-19H2,1-2H3",GHEJHXYNCGIREQ,UHFFFAOYSA,N,6-Hydroxy-4-heneicosanone,GHEJHXYNCGIREQ-UHFFFAOYSA-N
HMDB35672,312.302830524,C20H40O2,CCCCCCCCCCCCCC(=O)CC(O)CCCC,"InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-6-4-2/h19,21H,3-18H2,1-2H3",KPKHDMCPQMHIGR,UHFFFAOYSA,N,5-Hydroxy-7-eicosanone,KPKHDMCPQMHIGR-UHFFFAOYSA-N
HMDB35673,312.302830524,C20H40O2,CCCCCCCCCCCCCCC(=O)CC(O)CCC,"InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-4-2/h19,21H,3-18H2,1-2H3",SGLIGOVXSAHBRY,UHFFFAOYSA,N,4-Hydroxy-6-eicosanone,SGLIGOVXSAHBRY-UHFFFAOYSA-N
HMDB35674,298.28718046,C19H38O2,CCCCCCCCCCCCCC(=O)CC(O)CCC,"InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(21)17-18(20)15-4-2/h18,20H,3-17H2,1-2H3",WNLRMZGLDCCKMT,UHFFFAOYSA,N,4-Hydroxy-6-nonadecanone,WNLRMZGLDCCKMT-UHFFFAOYSA-N
HMDB35675,298.28718046,C19H38O2,CCCCCCCCCCCCCC(O)CC(=O)CCC,"InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(21)17-18(20)15-4-2/h19,21H,3-17H2,1-2H3",FQXHGCYDYNKFFF,UHFFFAOYSA,N,6-Hydroxy-4-nonadecanone,FQXHGCYDYNKFFF-UHFFFAOYSA-N
HMDB35676,332.271530396,C22H36O2,CCCCCCCCCCCCCC(=O)CC(O)C1=CC=CC=C1,"InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(23)19-22(24)20-16-13-12-14-17-20/h12-14,16-17,22,24H,2-11,15,18-19H2,1H3",STSKOMNZBUWTNP,UHFFFAOYSA,N,1-Hydroxy-1-phenyl-3-hexadecanone,STSKOMNZBUWTNP-UHFFFAOYSA-N
HMDB35677,332.271530396,C22H36O2,CCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1,"InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(23)19-22(24)20-16-13-12-14-17-20/h12-14,16-17,21,23H,2-11,15,18-19H2,1H3",BHJLLBCJOQXMIH,UHFFFAOYSA,N,3-Hydroxy-1-phenyl-1-hexadecanone,BHJLLBCJOQXMIH-UHFFFAOYSA-N
HMDB35678,346.28718046,C23H38O2,CCCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1,"InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23(25)21-17-14-13-15-18-21/h13-15,17-18,22,24H,2-12,16,19-20H2,1H3",ACRYOVXDWCIPCZ,UHFFFAOYSA,N,3-Hydroxy-1-phenyl-1-heptadecanone,ACRYOVXDWCIPCZ-UHFFFAOYSA-N
HMDB35679,360.302830524,C24H40O2,CCCCCCCCCCCCCCCC(=O)CC(O)C1=CC=CC=C1,"InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19,24,26H,2-13,17,20-21H2,1H3",XVDDTGFGTWMISV,UHFFFAOYSA,N,1-Hydroxy-1-phenyl-3-octadecanone,XVDDTGFGTWMISV-UHFFFAOYSA-N
HMDB35680,360.302830524,C24H40O2,CCCCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1,"InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19,23,25H,2-13,17,20-21H2,1H3",AESWPUVMLJHDRW,UHFFFAOYSA,N,3-Hydroxy-1-phenyl-1-octadecanone,AESWPUVMLJHDRW-UHFFFAOYSA-N
HMDB35681,402.349780716,C27H46O2,CCCCCCCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1,"InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)24-27(29)25-21-18-17-19-22-25/h17-19,21-22,26,28H,2-16,20,23-24H2,1H3",UTLRNQJMWYPIEJ,UHFFFAOYSA,N,3-Hydroxy-1-phenyl-1-heneicosanone,UTLRNQJMWYPIEJ-UHFFFAOYSA-N
HMDB35682,192.151415262,C13H20O,C\C=C\C(=O)C1C(C)C=CCC1(C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+",XEJGJTYRUWUFFD,FNORWQNLSA,N,delta-Damascone,XEJGJTYRUWUFFD-FNORWQNLSA-N
HMDB35683,482.15768243,C26H26O9,CC12OC(=O)C3OC13C(C)(C)C(=O)C1(O)CC3=CCCC4(C)C(OC(=O)C(=C34)C21O)C1=COC=C1,"InChI=1S/C26H26O9/c1-21(2)20(29)24(30)10-12-6-5-8-22(3)14(12)15(18(27)33-16(22)13-7-9-32-11-13)25(24,31)23(4)26(21)17(34-26)19(28)35-23/h6-7,9,11,16-17,30-31H,5,8,10H2,1-4H3",BATTZJIKLZSIAU,UHFFFAOYSA,N,Dukunolide A,BATTZJIKLZSIAU-UHFFFAOYSA-N
HMDB35684,472.209718,C26H32O8,CC12CCC3C4(C)C(CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1)C(C)(C)OC(=O)CC4O,"InChI=1S/C26H32O8/c1-22(2)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)33-22)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-16,19-20,27H,6,8,10-11H2,1-5H3",HWAJASVMTDEFJN,UHFFFAOYSA,N,Deacetylnomilin,HWAJASVMTDEFJN-UHFFFAOYSA-N
HMDB35685,434.318480588,C30H42O2,C\C(CO)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C,"InChI=1S/C30H42O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+",FNAJVVMDXCOSFY,STNACPSUSA,N,beta-Citraurol,FNAJVVMDXCOSFY-STNACPSUSA-N
HMDB35686,418.323565966,C30H42O,CC(C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14-,25-15+,26-18-",GKMHSJYLRXLVRG,BIIAHISDSA,N,beta-Citraurinene,GKMHSJYLRXLVRG-BIIAHISDSA-N
HMDB35687,292.167459256,C17H24O4,CC1CCC(\C=C(/C)C(O)=O)C2=C(C)CC(OC(C)=O)C12,"InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+",VBBXZFLAYWAXSK,YRNVUSSQSA,N,Acetylvalerenolic acid,VBBXZFLAYWAXSK-YRNVUSSQSA-N
HMDB35688,204.187800768,C15H24,CC1CCC=C2CCC(CC12C)C(C)=C,"InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3",QEBNYNLSCGVZOH,UHFFFAOYSA,N,Valencene,QEBNYNLSCGVZOH-UHFFFAOYSA-N
HMDB35689,400.188588628,C23H28O6,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3CC(C)(C)CC3C=C(C=O)C12O,"InChI=1S/C23H28O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,11,13,16,18,25-26,28H,8-10H2,1-4H3",SJZRUQOYQZRISL,UHFFFAOYSA,N,Melleolide,SJZRUQOYQZRISL-UHFFFAOYSA-N
HMDB35690,462.180916431,C25H31ClO6,COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23OC)C(O)=C1,"InChI=1S/C25H31ClO6/c1-13-20(17(28)8-18(30-5)21(13)26)22(29)32-19-11-24(4)16-10-23(2,3)9-14(16)7-15(12-27)25(19,24)31-6/h7-8,12,14,16,19,28H,9-11H2,1-6H3",OFHJKWNSOIQOPB,UHFFFAOYSA,N,6-O-Methylarmillaridin,OFHJKWNSOIQOPB-UHFFFAOYSA-N
HMDB35691,666.397912698,C36H58O11,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1(C)O)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3",WKKBYJLXSKPKSC,UHFFFAOYSA,N,Quercilicoside A,WKKBYJLXSKPKSC-UHFFFAOYSA-N
HMDB35692,302.224580204,C20H30O2,CC1(CCC2=C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,16H,1,6-13H2,2-4H3,(H,21,22)",BFPAVSSBPLQXJZ,UHFFFAOYSA,N,"8,15-Isopimaradien-18-oic acid",BFPAVSSBPLQXJZ-UHFFFAOYSA-N
HMDB35693,1210.634633308,C58H98O26,CC(C)=CCCC(C)(OC1OC(COC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-52-47(74)42(69)39(66)30(81-52)22-76-49-45(72)40(67)31(23-77-49)80-50-44(71)36(63)27(62)21-75-50)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)82-53-48(43(70)38(65)29(20-60)79-53)83-51-46(73)41(68)37(64)28(19-59)78-51/h10,25-53,59-74H,9,11-23H2,1-8H3",KVMXBSSOCCPAOR,UHFFFAOYSA,N,Ginsenoside Ra1,KVMXBSSOCCPAOR-UHFFFAOYSA-N
HMDB35694,1210.634633308,C58H98O26,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)42(70)39(67)31(80-51)23-76-52-47(40(68)30(21-61)78-52)82-49-44(72)36(64)27(63)22-75-49)25-11-16-57(7)35(25)26(62)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-53-48(43(71)38(66)29(20-60)79-53)83-50-45(73)41(69)37(65)28(19-59)77-50/h10,25-53,59-74H,9,11-23H2,1-8H3",UEBIBJSWHIZNCA,UHFFFAOYSA,N,Ginsenoside Ra2,UEBIBJSWHIZNCA-UHFFFAOYSA-N
HMDB35695,282.198365454,C20H26O,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C=CCC1(C)C)=C/C=O,"InChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",QHNVWXUULMZJKD,OVSJKPMPSA,N,Vitamin A2 aldehyde,QHNVWXUULMZJKD-OVSJKPMPSA-N
HMDB35696,570.334524582,C37H46O5,C\C(=C/C=C\C=C\C=C(/C)C#CC1=C(C)CC(O)CC1(C)C)\C=C1/OC(=O)C(\C=C\C23OC2(C)CC(O)CC3(C)C)=C1,"InChI=1S/C37H46O5/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)41-31)17-18-37-35(6,7)23-30(39)24-36(37,8)42-37/h9-14,17-19,21,29-30,38-39H,20,22-24H2,1-8H3/b11-9+,12-10-,18-17+,25-13+,26-14+,31-19-",JPHOIGCQEIPBBI,IEMCOIITSA,N,Pyrrhoxanthinol,JPHOIGCQEIPBBI-IEMCOIITSA-N
HMDB35697,696.408477384,C37H60O12,CC(C=O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C,"InChI=1S/C37H60O12/c1-18(15-38)19-11-12-37(6)24-9-7-20-21(35(24,4)13-14-36(19,37)5)8-10-25(34(20,2)3)49-33-31(45)29(43)27(41)23(48-33)17-46-32-30(44)28(42)26(40)22(16-39)47-32/h7,15,18-19,21-33,39-45H,8-14,16-17H2,1-6H3",JSJMNXVHBCPZCJ,UHFFFAOYSA,N,Momordicoside E,JSJMNXVHBCPZCJ-UHFFFAOYSA-N
HMDB35698,358.141638436,C20H22O6,[H][C@]1(CC2=CC=C(O)C(OC)=C2)COC(=O)[C@]1([H])CC1=CC=C(O)C(OC)=C1,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",MATGKVZWFZHCLI,LSDHHAIUSA,N,(-)-Matairesinol,MATGKVZWFZHCLI-LSDHHAIUSA-N
HMDB35699,518.324353826,C30H46O7,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1(C)O)C(O)=O,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)",FYGSMJAMPMZYFS,UHFFFAOYSA,N,Corosin,FYGSMJAMPMZYFS-UHFFFAOYSA-N
HMDB35700,490.256668192,C27H38O8,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O,"InChI=1S/C27H38O8/c1-13(6-7-19(32)33)14-10-18(31)27(5)20-15(29)11-16-24(2,9-8-17(30)25(16,3)12-28)21(20)22(34)23(35)26(14,27)4/h13-14,16-17,23,28,30,35H,6-12H2,1-5H3,(H,32,33)",HAVMVUFJSIMVDG,UHFFFAOYSA,N,Lucidenic acid J,HAVMVUFJSIMVDG-UHFFFAOYSA-N
HMDB35701,676.345877128,C36H52O12,CC(C)(O)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C,"InChI=1S/C36H52O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10,14-16H2,1-8H3/b12-11+",LIIOJBIJVPGVGO,VAWYXSNFSA,N,Cucurbitacin I 2-glucoside,LIIOJBIJVPGVGO-VAWYXSNFSA-N
HMDB35702,133.931862134,C3H2S3,S=C1SSC=C1,InChI=1S/C3H2S3/c4-3-1-2-5-6-3/h1-2H,LZENMJMJWQSSNJ,UHFFFAOYSA,N,"3H-1,2-Dithiole-3-thione",LZENMJMJWQSSNJ-UHFFFAOYSA-N
HMDB35703,170.112921266,C10H18S,CC1=CCC(CC1)C(C)(C)S,"InChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",ZQPCOAKGRYBBMR,UHFFFAOYSA,N,p-Menth-1-ene-8-thiol,ZQPCOAKGRYBBMR-UHFFFAOYSA-N
HMDB35704,220.18271539,C15H24O,CC(C)C1CCC(C)C11CC=C(C)C(=O)C1,"InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3",HBTHUBMUAHAWBC,UHFFFAOYSA,N,Acorenone,HBTHUBMUAHAWBC-UHFFFAOYSA-N
HMDB35705,1044.8873622,C72H116O4,CCCCCCCCCCCCCCCC(=O)OC1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CC(CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C1,"InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+",XACHQDDXHDTRLX,HZXCUAKRSA,N,Zeaxanthin dipalmitate,XACHQDDXHDTRLX-HZXCUAKRSA-N
HMDB35706,152.120115134,C10H16O,CC1=CCCC(C)(C)C1C=O,"InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3",ZVZRJSHOOULAGB,UHFFFAOYSA,N,alpha-Cyclocitral,ZVZRJSHOOULAGB-UHFFFAOYSA-N
HMDB35707,202.172150704,C15H22,CC1CCC2C(C3=C1CC=C3C)C2(C)C,"InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,9,12,14H,6-8H2,1-4H3",YBLUUFTVJWBMRJ,UHFFFAOYSA,N,"(6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene",YBLUUFTVJWBMRJ-UHFFFAOYSA-N
HMDB35708,248.141244506,C15H20O3,CC1=CCC(O)C2(C)CC3OC(=O)C(=C)C3CC12,"InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h4,10-13,16H,2,5-7H2,1,3H3",SGRJYGRCAPBLSW,UHFFFAOYSA,N,8-Epiisoivangustin,SGRJYGRCAPBLSW-UHFFFAOYSA-N
HMDB35709,514.293053698,C30H42O7,CC(CC(=O)\C=C(\C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O,"InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21-22,32,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-",QECQJYAIIIIKJB,GDNBJRDFSA,N,Ganoderenic acid B,QECQJYAIIIIKJB-GDNBJRDFSA-N
HMDB35710,316.203844762,C20H28O3,CC12CCC3=C(C=CO3)C1CCC13CC(CCC21)C(O)(CO)C3,"InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3",DNJVYWXIDISQRD,UHFFFAOYSA,N,Cafestol,DNJVYWXIDISQRD-UHFFFAOYSA-N
HMDB35711,222.198365454,C15H26O,CC1(C)CC23[C@H]1CC[C@@]2(C)CCC[C@@]3(C)O,"InChI=1S/C15H26O/c1-12(2)10-15-11(12)6-9-13(15,3)7-5-8-14(15,4)16/h11,16H,5-10H2,1-4H3/t11-,13+,14+,15?/m0/s1",ZEQZCZRDJPTCHI,JCHYFPDLSA,N,Panasinsanol A,ZEQZCZRDJPTCHI-JCHYFPDLSA-N
HMDB35712,234.089208936,C13H14O4,CC(O)CC1=CC(=O)C2=C(O1)C=C(O)C=C2C,"InChI=1S/C13H14O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,8,14-15H,4H2,1-2H3",ZYCNQWOKCMJKEZ,UHFFFAOYSA,N,Aloesol,ZYCNQWOKCMJKEZ-UHFFFAOYSA-N
HMDB35713,470.375995466,C31H50O3,CC(CCC(=C)C(C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34)",FCQSIIVNJCMJLB,UHFFFAOYSA,N,Ambolic acid,FCQSIIVNJCMJLB-UHFFFAOYSA-N
HMDB35714,168.115029756,C10H16O2,CC(C)(C=C)C(=O)C1OC1(C)C,"InChI=1S/C10H16O2/c1-6-9(2,3)7(11)8-10(4,5)12-8/h6,8H,1H2,2-5H3",VDWHYKNCKVKWIG,UHFFFAOYSA,N,Epoxyartemisia ketone,VDWHYKNCKVKWIG-UHFFFAOYSA-N
HMDB35715,264.136159128,C15H20O4,CC12CCC3C(OC(=O)C3=C)C1(O)C(=C)CCC2O,"InChI=1S/C15H20O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h10-12,16,18H,1-2,4-7H2,3H3",CFUWPZZLCJXNSQ,UHFFFAOYSA,N,Tanacetin,CFUWPZZLCJXNSQ-UHFFFAOYSA-N
HMDB35716,151.99657088,C4H8O2S2,OC(=O)C(CS)CS,"InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)",KRHAHEQEKNJCSD,UHFFFAOYSA,N,Dihydroasparagusic acid,KRHAHEQEKNJCSD-UHFFFAOYSA-N
HMDB35717,194.007135566,C6H10O3S2,CC(=O)SCC(CS)C(O)=O,"InChI=1S/C6H10O3S2/c1-4(7)11-3-5(2-10)6(8)9/h5,10H,2-3H2,1H3,(H,8,9)",PXKKBEIPDBKGPW,UHFFFAOYSA,N,S-Acetyl dihydroasparagusic acid,PXKKBEIPDBKGPW-UHFFFAOYSA-N
HMDB35718,220.18271539,C15H24O,CC(=C)C1CCC2(C)CCC(O)C(=C)C2C1,"InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3",CZFHAODYOVXPIQ,UHFFFAOYSA,N,Isocyperol,CZFHAODYOVXPIQ-UHFFFAOYSA-N
HMDB35719,516.308703762,C30H44O7,CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)",LWPLEHFGBRFRKI,UHFFFAOYSA,N,Ganoderic acid B,LWPLEHFGBRFRKI-UHFFFAOYSA-N
HMDB35720,220.18271539,C15H24O,CC(C)C1CCC2(C)CCC=C(C)C2C1=O,"InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h6,10,12-13H,5,7-9H2,1-4H3",OUIUORSUNABXEN,UHFFFAOYSA,N,Isoacolamone,OUIUORSUNABXEN-UHFFFAOYSA-N
HMDB35721,196.073558872,C10H12O4,CC(CCC(=O)C1=COC=C1)C(O)=O,"InChI=1S/C10H12O4/c1-7(10(12)13)2-3-9(11)8-4-5-14-6-8/h4-7H,2-3H2,1H3,(H,12,13)",IVEUNBPJQOKPGL,UHFFFAOYSA,N,(S)-Batatic acid,IVEUNBPJQOKPGL-UHFFFAOYSA-N
HMDB35722,294.18310932,C17H26O4,CC(=O)O\C1=C(C)\CCC(CC(=O)C(=C)CC1)C(C)(C)O,"InChI=1S/C17H26O4/c1-11-7-9-16(21-13(3)18)12(2)6-8-14(10-15(11)19)17(4,5)20/h14,20H,1,6-10H2,2-5H3/b16-12+",IULUGGNZUILXOI,FOWTUZBSSA,N,Tanacetol A,IULUGGNZUILXOI-FOWTUZBSSA-N
HMDB35723,172.146329884,C10H20O2,CC(C)C1CCC(C)C(O)C1O,"InChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3",WQFGPARDTSBVLU,UHFFFAOYSA,N,"(1R,2S,3S,4R)-p-Menthane-2,3-diol",WQFGPARDTSBVLU-UHFFFAOYSA-N
HMDB35724,308.162373878,C17H24O5,CC(=O)OC1CC2(C)C3(CO3)C1OC1C=C(C)CCC21CO,"InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3",DFPPNUOWRKIOKO,UHFFFAOYSA,N,15-Deacetylcalonectrin,DFPPNUOWRKIOKO-UHFFFAOYSA-N
HMDB35725,630.376783326,C36H54O9,CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3OC(C)=O,"InChI=1S/C36H54O9/c1-19(32(41)42)11-12-26(43-21(3)37)20(2)25-17-29(40)36(10)31-24(13-16-35(25,36)9)34(8)15-14-30(45-23(5)39)33(6,7)28(34)18-27(31)44-22(4)38/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+",GHQBLEWBYHWXAC,YBFXNURJSA,N,Ganoderic acid Mc,GHQBLEWBYHWXAC-YBFXNURJSA-N
HMDB35726,156.151415262,C10H20O,CC(C)C1(O)CCC(C)CC1,"InChI=1S/C10H20O/c1-8(2)10(11)6-4-9(3)5-7-10/h8-9,11H,4-7H2,1-3H3",LWKGCZOYSGKTLB,UHFFFAOYSA,N,p-Menthan-4-ol,LWKGCZOYSGKTLB-UHFFFAOYSA-N
HMDB35727,836.492207012,C45H72O14,CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(OC(C)=O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(O)C(O)C1O,"InChI=1S/C45H72O14/c1-22(2)12-11-13-23(3)33-29(57-41-38(53)36(51)34(49)31(58-41)20-54-24(4)46)19-45(10)39-28(48)18-27-26(43(39,8)16-17-44(33,45)9)14-15-32(42(27,6)7)59-40-37(52)35(50)30(21-55-40)56-25(5)47/h12,18,23,26,28-41,48-53H,11,13-17,19-21H2,1-10H3",RKJPAJOYCCHXQX,UHFFFAOYSA,N,Hebevinoside II,RKJPAJOYCCHXQX-UHFFFAOYSA-N
HMDB35728,438.349780716,C30H46O2,CC(CC\C=C(/C)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C,"InChI=1S/C30H46O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25,31H,8,10,12-13,15-19H2,1-7H3/b20-9+",QWFPQDGDUOGOJF,AWQFTUOYSA,N,Ganoderol A,QWFPQDGDUOGOJF-AWQFTUOYSA-N
HMDB35729,252.172544634,C15H24O3,CC(C)CC(O)CC(C)CCC(=O)C1=COC=C1,"InChI=1S/C15H24O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-7,10-12,14,16H,4-5,8-9H2,1-3H3",BROZQMCDYUJKFQ,UHFFFAOYSA,N,Dihydromyoporone,BROZQMCDYUJKFQ-UHFFFAOYSA-N
HMDB35730,440.329045274,C29H44O3,CC1(C)CCC2(O)C(C1)C1=CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CC2=O,"InChI=1S/C29H44O3/c1-24(2)14-15-29(32)19(16-24)18-8-9-21-26(5)12-11-22(30)25(3,4)20(26)10-13-27(21,6)28(18,7)17-23(29)31/h8,19-21,32H,9-17H2,1-7H3",MIXYQNXUKFPGRJ,UHFFFAOYSA,N,Camelledionol,MIXYQNXUKFPGRJ-UHFFFAOYSA-N
HMDB35731,62.017524428,BH3O3,OB(O)O,InChI=1S/BH3O3/c2-1(3)4/h2-4H,KGBXLFKZBHKPEV,UHFFFAOYSA,N,Boric acid (H3BO3),KGBXLFKZBHKPEV-UHFFFAOYSA-N
HMDB35732,468.178417872,C26H28O8,CC12OC(=O)CC1C(C)(C)C(=O)C1(O)CC3=CCCC4(C)C(OC(=O)C(=C34)C21O)C1=COC=C1,"InChI=1S/C26H28O8/c1-22(2)15-10-16(27)34-24(15,4)26(31)18-17-13(11-25(26,30)21(22)29)6-5-8-23(17,3)19(33-20(18)28)14-7-9-32-12-14/h6-7,9,12,15,19,30-31H,5,8,10-11H2,1-4H3",WUQGZJQZKDLECQ,UHFFFAOYSA,N,Dukunolide D,WUQGZJQZKDLECQ-UHFFFAOYSA-N
HMDB35733,484.173332494,C26H28O9,CC12OC(=O)CC1C(C)(C)C(=O)C1(O)CC34OC3CCC3(C)C(OC(=O)C(=C43)C21O)C1=COC=C1,"InChI=1S/C26H28O9/c1-21(2)13-9-15(27)35-23(13,4)26(31)16-17-22(3,18(33-19(16)28)12-6-8-32-10-12)7-5-14-24(17,34-14)11-25(26,30)20(21)29/h6,8,10,13-14,18,30-31H,5,7,9,11H2,1-4H3",HQKQACOUFFEUAD,UHFFFAOYSA,N,Dukunolide E,HQKQACOUFFEUAD-UHFFFAOYSA-N
HMDB35734,394.126382302,C19H22O9,CC(=O)CC1=CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C=C2C,"InChI=1S/C19H22O9/c1-8-3-10(27-19-18(25)17(24)16(23)14(7-20)28-19)6-13-15(8)12(22)5-11(26-13)4-9(2)21/h3,5-6,14,16-20,23-25H,4,7H2,1-2H3",AXUMVWMPQJNZRE,UHFFFAOYSA,N,2'-Oxoaloesol 7-glucoside,AXUMVWMPQJNZRE-UHFFFAOYSA-N
HMDB35735,442.344695338,C29H46O3,CC1(C)CCC2(O)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2=O,"InChI=1S/C29H46O3/c1-24(2)14-15-29(32)19(16-24)18-8-9-21-26(5)12-11-22(30)25(3,4)20(26)10-13-27(21,6)28(18,7)17-23(29)31/h8,19-22,30,32H,9-17H2,1-7H3",DNIUVLCJWDCWGK,UHFFFAOYSA,N,Camellenodiol,DNIUVLCJWDCWGK-UHFFFAOYSA-N
HMDB35736,212.120115134,C15H16O,CC(C)C1=CC2=C(C=O)C=CC2=C(C)C=C1,"InChI=1S/C15H16O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-10H,1-3H3",VAMFCHMEVQNLHP,UHFFFAOYSA,N,"11,12-Dihydrolactaroviolin",VAMFCHMEVQNLHP-UHFFFAOYSA-N
HMDB35737,152.120115134,C10H16O,CC(C)[C@@H]1CCC(C)=CC1=O,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m0/s1",YSTPAHQEHQSRJD,VIFPVBQESA,N,(R)-Piperitone,YSTPAHQEHQSRJD-VIFPVBQESA-N
HMDB35738,152.120115134,C10H16O,CC(C)[C@@H]1CCC(C)=CC1=O,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m0/s1",YSTPAHQEHQSRJD,VIFPVBQESA,N,(S)-Piperitone,YSTPAHQEHQSRJD-VIFPVBQESA-N
HMDB35739,220.18271539,C15H24O,CC1=CCC(CC1)C(=C)C\C=C\C(C)(C)O,"InChI=1S/C15H24O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5,7,11,14,16H,2,6,8-10H2,1,3-4H3/b11-5+",UMHJVDDWUSONQN,VZUCSPMQSA,N,"(R)-2,7(14),9-Bisabolatrien-11-ol",UMHJVDDWUSONQN-VZUCSPMQSA-N
HMDB35740,266.151809192,C15H22O4,CC1C2CCC(C)(O)C3(O)CC=C(C)C3C2OC1=O,"InChI=1S/C15H22O4/c1-8-4-7-15(18)11(8)12-10(5-6-14(15,3)17)9(2)13(16)19-12/h4,9-12,17-18H,5-7H2,1-3H3",VBQMPXNFLQSHMH,UHFFFAOYSA,N,Arlatin,VBQMPXNFLQSHMH-UHFFFAOYSA-N
HMDB35741,152.120115134,C10H16O,CC1CCC(C(C)=C)C(=O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3",RMIANEGNSBUGDJ,UHFFFAOYSA,N,(-)-trans-Isopulegone,RMIANEGNSBUGDJ-UHFFFAOYSA-N
HMDB35742,496.282489012,C30H40O6,[H][C@@]12CC[C@](C)(O)[C@@]3([H])C(=C(C)[C@@]4([H])[C@]3([H])[C@H]3C=C(C)[C@@]44[C@@]5([H])OC(=O)[C@@H](C)[C@]5([H])CC[C@](C)(O)[C@]34[H])[C@]1([H])OC(=O)[C@H]2C,"InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23+,24-,25-,28-,29-,30+/m0/s1",PZHWYURJZAPXAN,NTGBWREQSA,N,Absinthin,PZHWYURJZAPXAN-NTGBWREQSA-N
HMDB35743,152.120115134,C10H16O,CC1(C)C2CC1C(=C)C(O)C2,"InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3",LCYXQUJDODZYIJ,UHFFFAOYSA,N,Pinocarveol,LCYXQUJDODZYIJ-UHFFFAOYSA-N
HMDB35744,152.120115134,C10H16O,C[C@H]1[C@@H]2C[C@H](CC1=O)C2(C)C,"InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1",MQPHVIPKLRXGDJ,RNJXMRFFSA,N,(-)-Isopinocamphone,MQPHVIPKLRXGDJ-RNJXMRFFSA-N
HMDB35745,1044.55050975,C52H84O21,CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72-44-38(62)35(59)32(56)23(3)67-44)39(27(55)19-65-45)70-46-40(36(60)34(58)28(17-53)68-46)71-43-37(61)33(57)26(54)18-64-43/h15,23-46,53-63H,9-14,16-21H2,1-8H3",OAVAUZCEOWCYCC,UHFFFAOYSA,N,Jujuboside B,OAVAUZCEOWCYCC-UHFFFAOYSA-N
HMDB35746,1192.587683116,C57H92O26,CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1,"InChI=1S/C57H92O26/c1-23(2)14-24-15-55(7,71)46-25-8-9-32-53(5)12-11-33(52(3,4)31(53)10-13-54(32,6)56(25)21-57(46,83-24)76-22-56)79-50-45(82-49-41(69)35(63)27(60)18-73-49)43(28(61)19-74-50)80-51-44(81-48-40(68)34(62)26(59)17-72-48)39(67)37(65)30(78-51)20-75-47-42(70)38(66)36(64)29(16-58)77-47/h14,24-51,58-71H,8-13,15-22H2,1-7H3",UOTFAVQIRLMJFF,UHFFFAOYSA,N,Hovenoside D,UOTFAVQIRLMJFF-UHFFFAOYSA-N
HMDB35747,218.167065326,C15H22O,CC1CCC2C(=O)C3=C(C)CCC13C2(C)C,"InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3",JAWSHISYWRRQQQ,UHFFFAOYSA,N,Patchoulenone,JAWSHISYWRRQQQ-UHFFFAOYSA-N
HMDB35748,472.355260024,C30H48O4,CC1(C)CCC2(CC=C3C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CCC3(C)C2C1)C(O)=O,"InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)13-10-20-27(5)11-8-19-26(3,4)23(32)18(31)16-29(19,7)21(27)9-12-28(20,6)22(30)17-25/h10,18-19,21-23,31-32H,8-9,11-17H2,1-7H3,(H,33,34)",JMJVYEINATYJHM,UHFFFAOYSA,N,Sebiferenic acid,JMJVYEINATYJHM-UHFFFAOYSA-N
HMDB35749,946.55011582,C48H82O18,CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(CCC=C(C)C)OC3OC(CO)C(O)C(O)C3O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O,"InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3",PWAOOJDMFUQOKB,UHFFFAOYSA,N,Ginsenoside B2,PWAOOJDMFUQOKB-UHFFFAOYSA-N
HMDB35750,980.534465756,C51H80O18,CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C5C6(CC43CO6)OC(CC5(C)OC3OC(C)C(O)C(OC(C)=O)C3OC(C)=O)C=C(C)C)C2(C)C)C(O)C(O)C1O,"InChI=1S/C51H80O18/c1-23(2)18-28-19-49(11,69-45-41(65-27(6)53)39(64-26(5)52)35(56)25(4)63-45)42-29-12-13-32-47(9)16-15-33(46(7,8)31(47)14-17-48(32,10)50(29)21-51(42,68-28)61-22-50)66-44-40(36(57)30(54)20-60-44)67-43-38(59)37(58)34(55)24(3)62-43/h18,24-25,28-45,54-59H,12-17,19-22H2,1-11H3",MHCWKKSYGWYURT,UHFFFAOYSA,N,Ziziphin,MHCWKKSYGWYURT-UHFFFAOYSA-N
HMDB35751,502.329439204,C30H46O6,CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3,"InChI=1S/C30H46O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22-24,33-34H,8-15H2,1-7H3,(H,35,36)",YPYHGMCHNBTMDB,UHFFFAOYSA,N,Ganolucidic acid B,YPYHGMCHNBTMDB-UHFFFAOYSA-N
HMDB35753,192.151415262,C13H20O,CC(=O)\C=C\[C@H]1C(C)=CCCC1(C)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1",UZFLPKAIBPNNCA,GUOLPTJISA,N,"(R)-(E)-4,7-Megastigmadien-9-one",UZFLPKAIBPNNCA-GUOLPTJISA-N
HMDB35754,294.18310932,C17H26O4,CC(=O)OC(C)(C)C1CCC2(C)COC3(C)C=COC23C1,"InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3",YARAJYKHRCCDLG,UHFFFAOYSA,N,Phytuberin,YARAJYKHRCCDLG-UHFFFAOYSA-N
HMDB35756,580.179205732,C27H32O14,OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(CO)C=C2O)C3C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2",MNAYRSRTNMVAPR,UHFFFAOYSA,N,Cascaroside A,MNAYRSRTNMVAPR-UHFFFAOYSA-N
HMDB35757,564.18429111,C27H32O13,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O,"InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3",GQPFUOPPYJYZHE,UHFFFAOYSA,N,Cascaroside C,GQPFUOPPYJYZHE-UHFFFAOYSA-N
HMDB35758,472.355260024,C30H48O4,CC(CC(O)C=C(C)C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O,"InChI=1S/C30H48O4/c1-18(2)14-20(32)15-19(3)21-10-11-29(7)26-24(33)16-23-22(8-9-25(34)27(23,4)5)30(26,17-31)13-12-28(21,29)6/h14,16-17,19-22,24-26,32-34H,8-13,15H2,1-7H3",QBXNBPFTVLJTMK,UHFFFAOYSA,N,Momordicin I,QBXNBPFTVLJTMK-UHFFFAOYSA-N
HMDB35759,186.140850576,C14H18,CCC1=CCC(C)C2=CC=C(C)C2=C1,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6-10H,4-5H2,1-3H3",WSGOYZPQRKZDIY,UHFFFAOYSA,N,"7-Ethyl-5,6-dihydro-1,4-dimethylazulene",WSGOYZPQRKZDIY-UHFFFAOYSA-N
HMDB35760,250.15689457,C15H22O3,CC1=CC2OC3C(O)CC(C)(C33CO3)C2(C)CC1,"InChI=1S/C15H22O3/c1-9-4-5-13(2)11(6-9)18-12-10(16)7-14(13,3)15(12)8-17-15/h6,10-12,16H,4-5,7-8H2,1-3H3",ICJDGHMOMSQSLB,UHFFFAOYSA,N,3-Hydroxytrichothecene,ICJDGHMOMSQSLB-UHFFFAOYSA-N
HMDB35761,150.10446507,C10H14O,CC1(C)C2CC1C(=C)C(=O)C2,"InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3",TZDMGBLPGZXHJI,UHFFFAOYSA,N,(-)-Pinocarvone,TZDMGBLPGZXHJI-UHFFFAOYSA-N
HMDB35762,174.115698458,C11H14N2,CN(C)CC1=CNC2=CC=CC=C12,"InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3",OCDGBSUVYYVKQZ,UHFFFAOYSA,N,3-(Dimethylaminomethyl)indole,OCDGBSUVYYVKQZ-UHFFFAOYSA-N
HMDB35763,156.151415262,C10H20O,CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1",NOOLISFMXDJSKH,UTLUCORTSA,N,(+)-Neomenthol,NOOLISFMXDJSKH-UTLUCORTSA-N
HMDB35764,156.151415262,C10H20O,CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1",NOOLISFMXDJSKH,GUBZILKMSA,N,(-)-Neoisomenthol,NOOLISFMXDJSKH-GUBZILKMSA-N
HMDB35765,156.151415262,C10H20O,CC(C)C1CCC(C)CC1O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",NOOLISFMXDJSKH,UHFFFAOYSA,N,p-Menthan-3-ol,NOOLISFMXDJSKH-UHFFFAOYSA-N
HMDB35766,168.115029756,C10H16O2,CC(C)C12CCC(C)(OO1)C=C2,"InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3",MGYMHQJELJYRQS,UHFFFAOYSA,N,Ascaridole,MGYMHQJELJYRQS-UHFFFAOYSA-N
HMDB35767,252.172544634,C15H24O3,CC1C=C(C=O)C(CO)C(O)C2CC(C)(C)CC12,"InChI=1S/C15H24O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7,9,11-14,17-18H,5-6,8H2,1-3H3",MABZIKXHSLOMDZ,UHFFFAOYSA,N,Piperalol,MABZIKXHSLOMDZ-UHFFFAOYSA-N
HMDB35768,128.120115134,C8H16O,CCCC\C=C\CCO,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+",YDXQPTHHAPCTPP,AATRIKPKSA,N,(E)-3-Octen-1-ol,YDXQPTHHAPCTPP-AATRIKPKSA-N
HMDB35769,442.381080844,C30H50O2,CC1CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C,"InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h9,18-19,21-25,31-32H,10-17H2,1-8H3",VJFLMYRRJUWADI,UHFFFAOYSA,N,Brein,VJFLMYRRJUWADI-UHFFFAOYSA-N
HMDB35770,150.104465071,C10H14O,CC(C)C1=CC(O)=C(C)C=C1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",RECUKUPTGUEGMW,UHFFFAOYSA,N,5-Isopropyl-2-methylphenol,RECUKUPTGUEGMW-UHFFFAOYSA-N
HMDB35771,532.230847372,C28H36O10,CC(=O)OC(CC(O)=O)C1(C)C(CC(=O)C2(C)C1CCC1(C)C(OC(=O)C3OC213)C1=COC=C1)C(C)(C)O,"InChI=1S/C28H36O10/c1-14(29)36-19(12-20(31)32)26(5)16-7-9-25(4)21(15-8-10-35-13-15)37-23(33)22-28(25,38-22)27(16,6)18(30)11-17(26)24(2,3)34/h8,10,13,16-17,19,21-22,34H,7,9,11-12H2,1-6H3,(H,31,32)",ZIKZPLSIAVHITA,UHFFFAOYSA,N,Nomilinic acid,ZIKZPLSIAVHITA-UHFFFAOYSA-N
HMDB35772,514.220282686,C28H34O9,CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)C3=COC=C3)C12C,"InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3",KPDOJFFZKAUIOE,UHFFFAOYSA,N,Nomilin,KPDOJFFZKAUIOE-UHFFFAOYSA-N
HMDB35774,402.204238692,C23H30O6,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3CC(C)(C)CC3C(O)C(CO)=C12,"InChI=1S/C23H30O6/c1-11-5-12(25)6-16(26)18(11)21(28)29-17-9-23(4)15-8-22(2,3)7-13(15)20(27)14(10-24)19(17)23/h5-6,13,15,17,20,24-27H,7-10H2,1-4H3",WGPPXYYHVRWVLO,UHFFFAOYSA,N,Armillyl orsellinate,WGPPXYYHVRWVLO-UHFFFAOYSA-N
HMDB35775,456.360345402,C30H48O3,[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m0/s1",JZFSMVXQUWRSIW,BTJIZOSBSA,N,11-Deoxoglycyrrhetinic acid,JZFSMVXQUWRSIW-BTJIZOSBSA-N
HMDB35776,536.438201792,C40H56,CC(C)=CCC\C(C)=C\C=C/C(/C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C\C=C(/C)CCC=C(C)C,"InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17-,32-18-,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-",OAIJSZIZWZSQBC,BYUNHUQQSA,N,Prolycopene,OAIJSZIZWZSQBC-BYUNHUQQSA-N
HMDB35777,460.39164553,C30H52O3,CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC21C,"InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3",PYXFVCFISTUSOO,UHFFFAOYSA,N,Betulafolienetriol,PYXFVCFISTUSOO-UHFFFAOYSA-N
HMDB35778,946.55011582,C48H82O18,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3",RLDVZILFNVRJTL,UHFFFAOYSA,N,Ginsenoside Rd,RLDVZILFNVRJTL-UHFFFAOYSA-N
HMDB35779,420.214803378,C23H32O7,CC1=CC(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)C23O)=C(O)C=C1O,"InChI=1S/C23H32O7/c1-11-5-12(17(26)6-16(11)25)20(28)30-18-9-22(4)14-8-21(2,3)7-13(14)19(27)15(10-24)23(18,22)29/h5-6,13-15,18-19,24-27,29H,7-10H2,1-4H3",XAJFXYLALLZDAD,UHFFFAOYSA,N,Armillane,XAJFXYLALLZDAD-UHFFFAOYSA-N
HMDB35780,254.188194698,C15H26O3,CC1C=C(CO)C(CO)C(O)C2CC(C)(C)CC12,"InChI=1S/C15H26O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,9,11-14,16-18H,5-8H2,1-3H3",UMXJEXAFNWMBJX,UHFFFAOYSA,N,"8-Hydroxy-4(6)-lactarene-5,14-diol",UMXJEXAFNWMBJX-UHFFFAOYSA-N
HMDB35781,306.146723814,C17H22O5,CC(=O)OC1\C=C(C)/C(=O)C(O)C2C(CC2(C)C)C(=C)C1=O,"InChI=1S/C17H22O5/c1-8-6-12(22-10(3)18)15(20)9(2)11-7-17(4,5)13(11)16(21)14(8)19/h6,11-13,16,21H,2,7H2,1,3-5H3/b8-6-",BBRNVDBLOTVLMB,VURMDHGXSA,N,Naematolone,BBRNVDBLOTVLMB-VURMDHGXSA-N
HMDB35782,488.350174646,C30H48O5,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(O)=O,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)",JXSVIVRDWWRQRT,UHFFFAOYSA,N,Esculentic acid (Diplazium),JXSVIVRDWWRQRT-UHFFFAOYSA-N
HMDB35783,154.135765198,C10H18O,CC(C)[C@H]1CC[C@H](C)CC1=O,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1",NFLGAXVYCFJBMK,DTWKUNHWSA,N,(+)-Menthone,NFLGAXVYCFJBMK-DTWKUNHWSA-N
HMDB35784,564.18429111,C27H32O13,CC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3",BUPDVJFRVYWYEV,UHFFFAOYSA,N,Aloinoside B,BUPDVJFRVYWYEV-UHFFFAOYSA-N
HMDB35786,218.167065326,C15H22O,CC1CCC(\C=C(/C)C=O)C2=C(C)CCC12,"InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+",RJZWGDPBGWGJNU,CSKARUKUSA,N,Valerenal,RJZWGDPBGWGJNU-CSKARUKUSA-N
HMDB35787,204.187800768,C15H24,C\C=C(/C)\C=C\C=C(\C)CCC=C(C)C,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6+,15-12-",JEKGHHPMLRLCIW,VBVMRKNNSA,N,"(2Z,4E,6E)-2,4,6,10-Farnesatetraene",JEKGHHPMLRLCIW-VBVMRKNNSA-N
HMDB35788,470.33960996,C30H46O4,[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27+,28-,29+,30+/m0/s1",MPDGHEJMBKOTSU,IDZWEYSVSA,N,Liquiritic acid,MPDGHEJMBKOTSU-IDZWEYSVSA-N
HMDB35789,358.141638436,C20H22O6,COC1=CC(CC2C(CC3=CC(OC)=C(O)C=C3)COC2=O)=CC=C1O,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3",MATGKVZWFZHCLI,UHFFFAOYSA,N,Matairesinol,MATGKVZWFZHCLI-UHFFFAOYSA-N
HMDB35790,304.13107375,C17H20O5,CC1C2C(OC1=O)C1C(C)=CC(=O)C1=C(C)CC2OC(C)=O,"InChI=1S/C17H20O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,9,12,14-16H,6H2,1-4H3",QONYNSMAVSRIRD,UHFFFAOYSA,N,Matricarin,QONYNSMAVSRIRD-UHFFFAOYSA-N
HMDB35791,454.344695338,C30H46O3,CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C1C2,"InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3",HHQJBWYXBWOFJY,UHFFFAOYSA,N,Desoxoglabrolide,HHQJBWYXBWOFJY-UHFFFAOYSA-N
HMDB35792,150.140850576,C11H18,CC(C)=CCC\C(C)=C\C=C,"InChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h5,7-8H,1,6,9H2,2-4H3/b11-7+",LUKZREJJLWEWQM,YRNVUSSQSA,N,"(E)-4,8-Dimethyl-1,3,7-nonatriene",LUKZREJJLWEWQM-YRNVUSSQSA-N
HMDB35793,220.18271539,C15H24O,CC1CCCC2CC(=O)C(CC12C)=C(C)C,"InChI=1S/C15H24O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h11-12H,5-9H2,1-4H3",HMLGXKHWABZSIS,UHFFFAOYSA,N,Fukinone,HMLGXKHWABZSIS-UHFFFAOYSA-N
HMDB35794,234.161979948,C15H22O2,CC12CCCC(=C)C1CC(CC2)C(=C)C(O)=O,"InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)",UJQGVDNQDFTTLZ,UHFFFAOYSA,N,beta-Costic acid,UJQGVDNQDFTTLZ-UHFFFAOYSA-N
HMDB35795,396.1572885,C23H24O6,CC(C)=CCC1=C(O)C2=C(OC3=CC(O)=C(O)C(CC=C(C)C)=C3C2=O)C=C1O,"InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3",VEZXFTKZUMARDU,UHFFFAOYSA,N,gamma-Mangostin,VEZXFTKZUMARDU-UHFFFAOYSA-N
HMDB35796,410.172938564,C24H26O6,COC1=C(O)C=C2OC3=C(C(O)=C(CC=C(C)C)C(O)=C3)C(=O)C2=C1CC=C(C)C,"InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3",GNRIZKKCNOBBMO,UHFFFAOYSA,N,alpha-Mangostin,GNRIZKKCNOBBMO-UHFFFAOYSA-N
HMDB35797,528.272318256,C30H40O8,CC(CC(=O)\C=C(/C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O,"InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17-19,25,32,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+",UFIFFDILGAASQL,GXDHUFHOSA,N,Ganoderenic acid E,UFIFFDILGAASQL-GXDHUFHOSA-N
HMDB35798,250.15689457,C15H22O3,CC1C=C(C=O)C(C=O)C(O)C2CC(C)(C)CC12,"InChI=1S/C15H22O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7-9,11-14,18H,5-6H2,1-3H3",XXMVNOYKYOCDTD,UHFFFAOYSA,N,Piperdial,XXMVNOYKYOCDTD-UHFFFAOYSA-N
HMDB35801,194.13067982,C12H18O2,CC(C)C1CC(OC(C)=O)C(=C)C=C1,"InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-6,8,11-12H,3,7H2,1-2,4H3",FOSCFYGDBSMRFI,UHFFFAOYSA,N,"(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate",FOSCFYGDBSMRFI-UHFFFAOYSA-N
HMDB35802,336.175915452,C19H28O3S,CS\C=C\C(=O)OC1CC(C)C2(C)CC(=C(C)C)C(=O)CC2C1,"InChI=1S/C19H28O3S/c1-12(2)16-11-19(4)13(3)8-15(9-14(19)10-17(16)20)22-18(21)6-7-23-5/h6-7,13-15H,8-11H2,1-5H3/b7-6+",HDHDUJDLKYTRAS,VOTSOKGWSA,N,S-Japonin,HDHDUJDLKYTRAS-VOTSOKGWSA-N
HMDB35803,460.39164553,C30H52O3,CCC(CC(O)C(C)C1CCC2C3C(OC)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C30H52O3/c1-8-20(18(2)3)15-26(32)19(4)23-9-10-24-28-25(12-14-30(23,24)6)29(5)13-11-22(31)16-21(29)17-27(28)33-7/h17-20,22-28,31-32H,8-16H2,1-7H3",GDNMTUAJVKFDCM,UHFFFAOYSA,N,Schleicherastatin 2,GDNMTUAJVKFDCM-UHFFFAOYSA-N
HMDB35804,444.360345402,C29H48O3,CCC(CC(O)C(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O)C(C)C,"InChI=1S/C29H48O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-25,27,30-31H,7-15H2,1-6H3",XWLHFTUCQDCSTJ,UHFFFAOYSA,N,Schleicherastatin 5,XWLHFTUCQDCSTJ-UHFFFAOYSA-N
HMDB35805,264.136159128,C15H20O4,CCC(C)C(=O)OC1=C(C=C(OC)C=C1)C1OC1C,"InChI=1S/C15H20O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h6-10,14H,5H2,1-4H3",VXWVNVFBEJTTKA,UHFFFAOYSA,N,Thellungianin G,VXWVNVFBEJTTKA-UHFFFAOYSA-N
HMDB35806,468.396730908,C32H52O2,CC1C2C3CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC=C1C,"InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h12,21,23-27H,10-11,13-19H2,1-9H3",DYTVUYVLJDSMFA,UHFFFAOYSA,N,psi-Taraxasteryl acetate,DYTVUYVLJDSMFA-UHFFFAOYSA-N
HMDB35807,44.001062632,N2O,[O-][N+]#N,InChI=1S/N2O/c1-2-3,GQPLMRYTRLFLPF,UHFFFAOYSA,N,Nitrous oxide,GQPLMRYTRLFLPF-UHFFFAOYSA-N
HMDB35808,454.344695338,C30H46O3,CC1=C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1)C(O)=O,"InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,21-24,31H,9-17H2,1-7H3,(H,32,33)",HKJOHXSLBNLQHF,UHFFFAOYSA,N,Tomentosolic acid,HKJOHXSLBNLQHF-UHFFFAOYSA-N
HMDB35809,426.386166222,C30H50O,CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC=C1C,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3",NGFFRJBGMSPDMS,UHFFFAOYSA,N,gamma-Taraxasterol,NGFFRJBGMSPDMS-UHFFFAOYSA-N
HMDB35810,204.187800768,C15H24,CC(=C)C1CCC2(C)CCC=C(C)C2C1,"InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3",OZQAPQSEYFAMCY,UHFFFAOYSA,N,alpha-Selinene,OZQAPQSEYFAMCY-UHFFFAOYSA-N
HMDB35811,222.198365454,C15H26O,CC(C)C1CCC(C)(C=C)C(C1O)C(C)=C,"InChI=1S/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-14,16H,1,4,8-9H2,2-3,5-6H3",WOULTTPZJDSDEI,UHFFFAOYSA,N,Shyobunol,WOULTTPZJDSDEI-UHFFFAOYSA-N
HMDB35812,346.178023942,C20H26O5,CC(C)C1=CC2=C(C(O)=C1O)C13CCCC(C)(C)C1C(OC3=O)C2O,"InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3",LCAZOMIGFDQMNC,UHFFFAOYSA,N,Epirosmanol,LCAZOMIGFDQMNC-UHFFFAOYSA-N
HMDB35813,360.193674006,C21H28O5,COC1C2OC(=O)C3(CCCC(C)(C)C23)C2=C(O)C(O)=C(C=C12)C(C)C,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3",XNPVHIQPSAZTLC,UHFFFAOYSA,N,7-Methylrosmanol,XNPVHIQPSAZTLC-UHFFFAOYSA-N
HMDB35814,276.099773615,C15H16O5,CC1=C2C(C3OC(=O)C(=C)C3C(O)C1)C(CO)=CC2=O,"InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3",VJQAFLAZRVKAKM,UHFFFAOYSA,N,Lactucin,VJQAFLAZRVKAKM-UHFFFAOYSA-N
HMDB35815,154.135765198,C10H18O,CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1",DTGKSKDOIYIVQL,MRTMQBJTSA,N,(+)-Isoborneol,DTGKSKDOIYIVQL-MRTMQBJTSA-N
HMDB35816,204.187800768,C15H24,CC(=C)C1CCC(C)(C=C)C(C1)C(C)=C,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3",OPFTUNCRGUEPRZ,UHFFFAOYSA,N,(-)-beta-Elemene,OPFTUNCRGUEPRZ-UHFFFAOYSA-N
HMDB35817,424.370516158,C30H48O,CC1C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC=C1C,"InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-23,25H,9-10,12-18H2,1-8H3",CJRZLPSJKBMUPM,UHFFFAOYSA,N,gamma-Taraxasterone,CJRZLPSJKBMUPM-UHFFFAOYSA-N
HMDB35818,154.135765198,C10H18O,CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1",DTGKSKDOIYIVQL,QXFUBDJGSA,N,(+)-Borneol,DTGKSKDOIYIVQL-QXFUBDJGSA-N
HMDB35819,154.135765198,C10H18O,CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1",DTGKSKDOIYIVQL,MRTMQBJTSA,N,(-)-Isoborneol,DTGKSKDOIYIVQL-MRTMQBJTSA-N
HMDB35820,154.135765198,C10H18O,C[C@H](CCC=C(C)C)CC=O,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1",NEHNMFOYXAPHSD,SNVBAGLBSA,N,(R)-Citronellal,NEHNMFOYXAPHSD-SNVBAGLBSA-N
HMDB35821,632.428818896,C37H60O8,COC(C)(C)\C=C\CC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C,"InChI=1S/C37H60O8/c1-22(10-9-15-32(2,3)42-8)23-13-16-35(7)25-14-17-37-26(36(25,21-43-37)19-18-34(23,35)6)11-12-27(33(37,4)5)45-31-30(41)29(40)28(39)24(20-38)44-31/h9,14-15,17,22-31,38-41H,10-13,16,18-21H2,1-8H3/b15-9+",MQGABSJZVJOSCX,OQLLNIDSSA,N,Momordicoside G,MQGABSJZVJOSCX-OQLLNIDSSA-N
HMDB35822,346.162767808,C16H26O8,C\C(=C\CCC(C)(O)C=C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H26O8/c1-4-16(3,22)7-5-6-9(2)14(21)24-15-13(20)12(19)11(18)10(8-17)23-15/h4,6,10-13,15,17-20,22H,1,5,7-8H2,2-3H3/b9-6-",IVWJMPAYYVHQPT,TWGQIWQCSA,N,"Glucosyl 6-hydroxy-2,6-dimethyl-2E,7-octadienoate",IVWJMPAYYVHQPT-TWGQIWQCSA-N
HMDB35823,154.1357652,C10H18O,CC(C)[C@]1(O)CCC(C)=CC1,"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m1/s1",WRYLYDPHFGVWKC,SNVBAGLBSA,N,(S)-p-Menth-1-en-4-ol,WRYLYDPHFGVWKC-SNVBAGLBSA-N
HMDB35824,150.104465071,C10H14O,CC(=C)C1CC=C(C)C(=O)C1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3",ULDHMXUKGWMISQ,UHFFFAOYSA,N,Carvone,ULDHMXUKGWMISQ-UHFFFAOYSA-N
HMDB35825,154.135765198,C10H18O,C[C@@H]1CC[C@H](CC1O)C(C)=C,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10?/m1/s1",KRCZYMFUWVJCLI,MGRQHWMJSA,N,(-)-Dihydrocarveol,KRCZYMFUWVJCLI-MGRQHWMJSA-N
HMDB35826,442.381080844,C30H50O2,CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CC=C1C,"InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h11,19-25,31-32H,9-10,12-17H2,1-8H3",BNHIQKVOPNHQKO,UHFFFAOYSA,N,Faradiol,BNHIQKVOPNHQKO-UHFFFAOYSA-N
HMDB35827,236.177630012,C15H24O2,CC1C2CC(CCC2(C)C=CC1=O)C(C)(C)O,"InChI=1S/C15H24O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h6,8,10-12,17H,5,7,9H2,1-4H3",MSSWKGZMPUXALD,UHFFFAOYSA,N,Aubergenone,MSSWKGZMPUXALD-UHFFFAOYSA-N
HMDB35828,410.136553058,C23H22O7,CC1=C2C(C3OC(=O)C(=C)C3C(C1)OC(=O)CC1=CC=C(O)C=C1)C(CO)=CC2=O,"InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3",UMVSOHBRAQTGQI,UHFFFAOYSA,N,Lactupicrin,UMVSOHBRAQTGQI-UHFFFAOYSA-N
HMDB35829,168.115029756,C10H16O2,CC1CCC2C1C(=O)OCC2C,"InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3",LSRNBGXEEKNZHN,UHFFFAOYSA,N,Dihydronepetalactone,LSRNBGXEEKNZHN-UHFFFAOYSA-N
HMDB35830,226.084123558,C11H14O5,COC(=O)C1=COC(O)C2C1CC=C2CO,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3",AZKVWQKMDGGDSV,UHFFFAOYSA,N,Genipin,AZKVWQKMDGGDSV-UHFFFAOYSA-N
HMDB35831,584.422945658,C40H56O3,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15-,30-16+,31-19+,32-20-",OFNSUWBAQRCHAV,SPHDKFQHSA,N,Antheraxanthin A,OFNSUWBAQRCHAV-SPHDKFQHSA-N
HMDB35832,380.198759384,C24H28O4,CC(C=CC=C(C)C=CC(O)=O)=CC=CC=C(C)C=CC=C(C)C=CC(O)=O,"InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)",ZVKOASAVGLETCT,UHFFFAOYSA,N,Norbixin,ZVKOASAVGLETCT-UHFFFAOYSA-N
HMDB35833,154.1357652,C10H18O,CC(C)C1(O)CCC(C)=CC1,"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3",WRYLYDPHFGVWKC,UHFFFAOYSA,N,p-Menth-1-en-4-ol,WRYLYDPHFGVWKC-UHFFFAOYSA-N
HMDB35834,400.224974134,C24H32O5,CC(=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O,"InChI=1S/C24H32O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16,26H,7-11H2,1-6H3",AJULRUMEMZKBQI,UHFFFAOYSA,N,Lucidone B,AJULRUMEMZKBQI-UHFFFAOYSA-N
HMDB35835,218.167065326,C15H22O,CC1CCCC2CC3=C(CC12C)C(C)=CO3,"InChI=1S/C15H22O/c1-10-9-16-14-7-12-6-4-5-11(2)15(12,3)8-13(10)14/h9,11-12H,4-8H2,1-3H3",LCYZOSVRKHROOX,UHFFFAOYSA,N,Furanoeremophilane,LCYZOSVRKHROOX-UHFFFAOYSA-N
HMDB35836,552.433116423,C40H56O,CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C,"InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1",ABTRFGSPYXCGMR,AXXBKCDFSA,N,Rubixanthin,ABTRFGSPYXCGMR-AXXBKCDFSA-N
HMDB35837,170.13067982,C10H18O2,CC(CCC=C(C)C)CC(O)=O,"InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)",GJWSUKYXUMVMGX,UHFFFAOYSA,N,Citronellic acid,GJWSUKYXUMVMGX-UHFFFAOYSA-N
HMDB35838,154.135765198,C10H18O,CC(C)C1CCC(C)=CC1O,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3",HPOHAUWWDDPHRS,UHFFFAOYSA,N,Piperitol,HPOHAUWWDDPHRS-UHFFFAOYSA-N
HMDB35839,170.13067982,C10H18O2,C\C(=C\CO)C1CCC(C)(C)O1,"InChI=1S/C10H18O2/c1-8(5-7-11)9-4-6-10(2,3)12-9/h5,9,11H,4,6-7H2,1-3H3/b8-5-",MCCVCDVTCCDPLO,YVMONPNESA,N,"(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol",MCCVCDVTCCDPLO-YVMONPNESA-N
HMDB35840,380.18350325,C20H28O7,CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(O)C21CO1,"InChI=1S/C20H28O7/c1-11(2)5-16(22)24-8-13-9-25-19(27-17(23)6-12(3)4)18-14(13)7-15(21)20(18)10-26-20/h7,9,11-12,15,18-19,21H,5-6,8,10H2,1-4H3",XIQPIDYOUNZVOS,UHFFFAOYSA,N,Deacetylisovaltrate,XIQPIDYOUNZVOS-UHFFFAOYSA-N
HMDB35841,154.1357652,C10H18O,CC(CCC=C(C)C)CC=O,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3",NEHNMFOYXAPHSD,UHFFFAOYSA,N,Citronellal,NEHNMFOYXAPHSD-UHFFFAOYSA-N
HMDB35842,154.135765198,C10H18O,C[C@H](CCC=C(C)C)CC=O,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1",NEHNMFOYXAPHSD,SNVBAGLBSA,N,(S)-Citronellal,NEHNMFOYXAPHSD-SNVBAGLBSA-N
HMDB35843,472.318874518,C29H44O5,CCC(O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(=O)C(C)(CO)C2CC4)O1,"InChI=1S/C29H44O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,20-22,30-31H,7-16H2,1-6H3",IPZHIWYVRSTEKX,UHFFFAOYSA,N,"(23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione",IPZHIWYVRSTEKX-UHFFFAOYSA-N
HMDB35844,402.240624198,C24H34O5,CC(=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C24H34O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16-17,26,28H,7-11H2,1-6H3",NKQOQQOOZLPVEV,UHFFFAOYSA,N,Lucidone A,NKQOQQOOZLPVEV-UHFFFAOYSA-N
HMDB35845,370.323565966,C26H42O,CC(C)\C=C/C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C26H42O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,9,17-20,22-24,27H,8,10-16H2,1-5H3/b7-6-",PISAKMAGVQHRRZ,SREVYHEPSA,N,Asterosterol,PISAKMAGVQHRRZ-SREVYHEPSA-N
HMDB35846,282.146723814,C15H22O5,CC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1,"InChI=1S/C15H22O5/c1-8-3-4-14(6-16)9(5-8)20-12-10(17)11(18)13(14,2)15(12)7-19-15/h5,9-12,16-18H,3-4,6-7H2,1-2H3",PXEBOIUZEXXBGH,UHFFFAOYSA,N,Anguidol,PXEBOIUZEXXBGH-UHFFFAOYSA-N
HMDB35847,324.1572885,C17H24O6,CC(=O)OC1C(O)C2OC3C=C(C)CCC3(CO)C1(C)C21CO1,"InChI=1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(20)13(22-10(2)19)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3",YIFMFXZUYBFVFL,UHFFFAOYSA,N,"4-Acetoxyscirpene-3,15-diol",YIFMFXZUYBFVFL-UHFFFAOYSA-N
HMDB35848,324.1572885,C17H24O6,CC(=O)OCC12CCC(C)=CC1OC1C(O)C(O)C2(C)C11CO1,"InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3",IRXDUBNENLKYTC,UHFFFAOYSA,N,Monoacetoxyscirpenol,IRXDUBNENLKYTC-UHFFFAOYSA-N
HMDB35849,416.219888756,C24H32O6,COC1=CC(O)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)=C23)C(C)=C1,"InChI=1S/C24H32O6/c1-12-6-13(29-5)7-17(26)19(12)22(28)30-18-10-24(4)16-9-23(2,3)8-14(16)21(27)15(11-25)20(18)24/h6-7,14,16,18,21,25-27H,8-11H2,1-5H3",KIBURFBDQVFUHO,UHFFFAOYSA,N,Armillyl everninate,KIBURFBDQVFUHO-UHFFFAOYSA-N
HMDB35850,136.125200515,C10H16,CC(C)C1CC=C(C)C=C1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3",OGLDWXZKYODSOB,UHFFFAOYSA,N,alpha-Phellandrene,OGLDWXZKYODSOB-UHFFFAOYSA-N
HMDB35851,136.125200512,C10H16,[H][C@@]1(CC=C(C)C=C1)C(C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",OGLDWXZKYODSOB,SNVBAGLBSA,N,(R)-alpha-Phellandrene,OGLDWXZKYODSOB-SNVBAGLBSA-N
HMDB35852,440.401816286,C31H52O,COC1CCC2(C)C3CCC4(C)C5CC(C)(C)CCC5(C)CCC4(C)C3=CCC2C1(C)C,"InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)22-10-11-23-27(3,4)25(32-9)13-14-29(23,6)21(22)12-15-31(30,8)24(28)20-26/h10,21,23-25H,11-20H2,1-9H3",IWHPMBHSBARBOW,UHFFFAOYSA,N,3beta-Methoxy-7-multiflorene,IWHPMBHSBARBOW-UHFFFAOYSA-N
HMDB35853,508.376389396,C30H52O6,CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3,"InChI=1S/C30H52O6/c1-26(2)22-10-9-19-20(28(22,5)15-21(32)25(26)35)14-24(34)30(7)18(12-13-29(19,30)6)17(16-31)8-11-23(33)27(3,4)36/h17-18,21-25,31-36H,8-16H2,1-7H3",YRXIDKUVBPMNRA,UHFFFAOYSA,N,Fasciculol C,YRXIDKUVBPMNRA-UHFFFAOYSA-N
HMDB35856,358.214409448,C22H30O4,COC1=C(OC)C2=C(C=C1C(C)C)C1CC3C(C)(C)CCCC23C(=O)O1,"InChI=1S/C22H30O4/c1-12(2)13-10-14-15-11-16-21(3,4)8-7-9-22(16,20(23)26-15)17(14)19(25-6)18(13)24-5/h10,12,15-16H,7-9,11H2,1-6H3",BMUVJFGCCPHXOJ,UHFFFAOYSA,N,"11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide",BMUVJFGCCPHXOJ-UHFFFAOYSA-N
HMDB35857,800.492207012,C42H72O14,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3",YURJSTAIMNSZAE,UHFFFAOYSA,N,Ginsenoside A2,YURJSTAIMNSZAE-UHFFFAOYSA-N
HMDB35858,454.199153314,C26H30O7,CC12CCC3C4(C)C=CC(=O)OC(C)(C)C4CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1,"InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3",MAYJEFRPIKEYBL,UHFFFAOYSA,N,Obacunone,MAYJEFRPIKEYBL-UHFFFAOYSA-N
HMDB35859,446.194067936,C24H30O8,COC1=CC(O)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(C)=C1,"InChI=1S/C24H30O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,10,16,18-19,26-27,29-30H,9,11H2,1-5H3",PETDNGRBYPTDNI,UHFFFAOYSA,N,5'-O-Methylmelledonal,PETDNGRBYPTDNI-UHFFFAOYSA-N
HMDB35860,488.204632622,C26H32O9,COC(=O)C1(C)OC(=O)C2C(C)(C(=C)CC3(O)C4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)C23C)C1=O,"InChI=1S/C26H32O9/c1-12-11-26(33)22(4)10-9-13(27)21(2,3)15(22)14(28)17(29)24(26,6)16-18(30)35-25(7,20(32)34-8)19(31)23(12,16)5/h16,28,33H,1,9-11H2,2-8H3",CYHGEJACRPDZDP,UHFFFAOYSA,N,Terretonin,CYHGEJACRPDZDP-UHFFFAOYSA-N
HMDB35861,154.135765198,C10H18O,CC(C)[C@@H]1CCC(C)=C[C@H]1O,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m0/s1",HPOHAUWWDDPHRS,VHSXEESVSA,N,trans-(-)-p-Menth-1-en-3-ol,HPOHAUWWDDPHRS-VHSXEESVSA-N
HMDB35862,208.18271539,C14H24O,CC(C)C(=C)CC\C(C)=C\CCC(C)=O,"InChI=1S/C14H24O/c1-11(2)13(4)10-9-12(3)7-6-8-14(5)15/h7,11H,4,6,8-10H2,1-3,5H3/b12-7+",GVHYGHSXSIDTDI,KPKJPENVSA,N,"(E)-6,10-Dimethyl-9-methylene-5-undecen-2-one",GVHYGHSXSIDTDI-KPKJPENVSA-N
HMDB35863,502.220282686,C27H34O9,COC(=O)CC1OC(C)(C)C2C(=O)C(O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)C3=COC=C3)C12C,"InChI=1S/C27H34O9/c1-23(2)18-17(29)19(30)26(5)14(25(18,4)15(35-23)11-16(28)32-6)7-9-24(3)20(13-8-10-33-12-13)34-22(31)21-27(24,26)36-21/h8,10,12,14-15,18-21,30H,7,9,11H2,1-6H3",QZEZEIDFGQZYKE,UHFFFAOYSA,N,Cyclocalamin,QZEZEIDFGQZYKE-UHFFFAOYSA-N
HMDB35864,462.188982558,C24H30O9,COC1=CC(O)=C(C(=O)OC2CC3(C)C4C(O)C(C)(CO)CC4(O)C=C(C=O)C23O)C(C)=C1,"InChI=1S/C24H30O9/c1-12-5-14(32-4)6-15(27)17(12)20(29)33-16-8-22(3)18-19(28)21(2,11-26)10-23(18,30)7-13(9-25)24(16,22)31/h5-7,9,16,18-19,26-28,30-31H,8,10-11H2,1-4H3",GEZFFZYSQRTAPC,UHFFFAOYSA,N,13-Hydroxy-5'-O-methylmelledonal,GEZFFZYSQRTAPC-UHFFFAOYSA-N
HMDB35865,432.178417872,C23H28O8,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3C(O)C(C)(C)CC3(O)C=C(C=O)C12O,"InChI=1S/C23H28O8/c1-11-5-13(25)6-14(26)16(11)19(28)31-15-8-21(4)17-18(27)20(2,3)10-22(17,29)7-12(9-24)23(15,21)30/h5-7,9,15,17-18,25-27,29-30H,8,10H2,1-4H3",BYWJNFQCWYEWHX,UHFFFAOYSA,N,Melledonal A,BYWJNFQCWYEWHX-UHFFFAOYSA-N
HMDB35866,480.155095611,C24H29ClO8,COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(O)=C1,"InChI=1S/C24H29ClO8/c1-11-16(13(27)6-14(32-5)17(11)25)20(29)33-15-8-22(4)18-19(28)21(2,3)10-23(18,30)7-12(9-26)24(15,22)31/h6-7,9,15,18-19,27-28,30-31H,8,10H2,1-5H3",RCBZBPPFXBBNCD,UHFFFAOYSA,N,Melledonal C,RCBZBPPFXBBNCD-UHFFFAOYSA-N
HMDB35867,426.188982558,C21H30O9,CC1[C@@H]2CCC(=CCC\C(C)=C\[C@H]2OC1=O)C(=O)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O,"InChI=1S/C21H30O9/c1-10-4-3-5-12(6-7-13-11(2)19(25)28-14(13)8-10)20(26)30-18-16(23)15(9-22)29-21(27)17(18)24/h5,8,11,13-18,21-24,27H,3-4,6-7,9H2,1-2H3/b10-8+,12-5+/t11?,13-,14+,15+,16+,17+,18-,21+/m0/s1",GHCVBVCIPFPICQ,RYCRGVOFSA,N,"11,13-Dihydrotaraxinic acid glucosyl ester",GHCVBVCIPFPICQ-RYCRGVOFSA-N
HMDB35868,222.198365454,C15H26O,CC1CCCC2(C)CCC(C=C12)C(C)(C)O,"InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h10-12,16H,5-9H2,1-4H3",SRHDLIDOZXPROB,UHFFFAOYSA,N,Rosifoliol,SRHDLIDOZXPROB-UHFFFAOYSA-N
HMDB35869,234.161979948,C15H22O2,CC(=C)C1CCC2(C)CC(=O)C=C(C)C2(O)C1,"InChI=1S/C15H22O2/c1-10(2)12-5-6-14(4)9-13(16)7-11(3)15(14,17)8-12/h7,12,17H,1,5-6,8-9H2,2-4H3",WDFLKCAWQQMJCA,UHFFFAOYSA,N,alpha-Rotunol,WDFLKCAWQQMJCA-UHFFFAOYSA-N
HMDB35871,205.848074204,CH2S6,C1SSSSSS1,InChI=1S/CH2S6/c1-2-4-6-7-5-3-1/h1H2,JMYWPEQXUQGQNF,UHFFFAOYSA,N,Hexathiepane,JMYWPEQXUQGQNF-UHFFFAOYSA-N
HMDB35872,540.18429111,C25H32O13,[H][C@]1(CC(=O)OCCC2=CC(O)=C(O)C=C2)\C(=C\C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC,"InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3-/t14-,18+,20+,21-,22+,24-,25-/m0/s1",RFWGABANNQMHMZ,WLFYAOHHSA,N,Oleuropein,RFWGABANNQMHMZ-WLFYAOHHSA-N
HMDB35873,192.07864425,C11H12O3,COC1=C2OCOC2=CC(CC=C)=C1,"InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3",BNWJOHGLIBDBOB,UHFFFAOYSA,N,Myristicin,BNWJOHGLIBDBOB-UHFFFAOYSA-N
HMDB35874,264.136159128,C15H20O4,CC1=CC2=C(C(=O)C(C)(CO)C2O)C(C)=C1CCO,"InChI=1S/C15H20O4/c1-8-6-11-12(9(2)10(8)4-5-16)14(19)15(3,7-17)13(11)18/h6,13,16-18H,4-5,7H2,1-3H3",OOAFRMHKOSBPID,UHFFFAOYSA,N,"(10R,11R)-Pterosin L",OOAFRMHKOSBPID-UHFFFAOYSA-N
HMDB35875,504.345089268,C30H48O6,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1(C)O)C(O)=O,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)",YCOKATFNRPZIIU,UHFFFAOYSA,N,Myrianthic acid,YCOKATFNRPZIIU-UHFFFAOYSA-N
HMDB35876,390.146723814,C24H22O5,CC(C)C(=O)C1=C2OC(C)(C)C=CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O,"InChI=1S/C24H22O5/c1-13(2)20(26)19-21(27)18-16(14-8-6-5-7-9-14)12-17(25)28-22(18)15-10-11-24(3,4)29-23(15)19/h5-13,27H,1-4H3",SVCPILBFQWTZFW,UHFFFAOYSA,N,Mesuagin,SVCPILBFQWTZFW-UHFFFAOYSA-N
HMDB35877,254.224580204,C16H30O2,CC\C=C/CCCCCCCCCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,5-15H2,1H3,(H,17,18)/b4-3-",UFRASUJYZLLIJC,ARJAWSKDSA,N,(Z)-13-Hexadecenoic acid,UFRASUJYZLLIJC-ARJAWSKDSA-N
HMDB35878,334.214409448,C20H30O4,CC(C)C1=CC2(O)CCC3C(C)(CCCC3(C)C(O)=O)C2CC1=O,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)",BDGVLOCEQIJJDJ,UHFFFAOYSA,N,8alpha-8-Hydroxy-12-oxo-13-abieten-18-oic acid,BDGVLOCEQIJJDJ-UHFFFAOYSA-N
HMDB35879,330.146723814,C19H22O5,COC1=C(C\C=C(/C)CC(=O)C=C(C)C)C(O)=C2COC(=O)C2=C1,"InChI=1S/C19H22O5/c1-11(2)7-13(20)8-12(3)5-6-14-17(23-4)9-15-16(18(14)21)10-24-19(15)22/h5,7,9,21H,6,8,10H2,1-4H3/b12-5+",IDSCVDJWBRGNKG,LFYBBSHMSA,N,Hericenone A,IDSCVDJWBRGNKG-LFYBBSHMSA-N
HMDB35880,310.10525293,C15H18O7,OCC1OC(O)C(OC(=O)\C=C\C2=CC=CC=C2)C(O)C1O,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(15(20)21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+",POOVYWIYTSHEES,VOTSOKGWSA,N,(E)-2-O-Cinnamoyl-beta-D-glucopyranose,POOVYWIYTSHEES-VOTSOKGWSA-N
HMDB35881,228.172544634,C13H24O3,CCC(O)\C=C\CCCCCCCC(O)=O,"InChI=1S/C13H24O3/c1-2-12(14)10-8-6-4-3-5-7-9-11-13(15)16/h8,10,12,14H,2-7,9,11H2,1H3,(H,15,16)/b10-8+",NSVPCFNUUARRKL,CSKARUKUSA,N,11-Hydroxy-9-tridecenoic acid,NSVPCFNUUARRKL-CSKARUKUSA-N
HMDB35882,109.052763851,C6H7NO,CC(=O)C1=CC=CN1,"InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3",IGJQUJNPMOYEJY,UHFFFAOYSA,N,2-Acetylpyrrole,IGJQUJNPMOYEJY-UHFFFAOYSA-N
HMDB35883,464.095476104,C21H20O12,OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2O)C=C1O,"InChI=1S/C21H20O12/c22-5-14-17(28)19(30)20(31)21(33-14)16-11(27)4-13-15(18(16)29)10(26)3-12(32-13)6-1-8(24)9(25)2-7(6)23/h1-4,14,17,19-25,27-31H,5H2",VGWBNVOKYXNHPW,UHFFFAOYSA,N,2'-Hydroxyisoorientin,VGWBNVOKYXNHPW-UHFFFAOYSA-N
HMDB35884,434.194067936,C23H30O8,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3C(O)C(C)(C)CC3(O)C=C(CO)C12O,"InChI=1S/C23H30O8/c1-11-5-13(25)6-14(26)16(11)19(28)31-15-8-21(4)17-18(27)20(2,3)10-22(17,29)7-12(9-24)23(15,21)30/h5-7,15,17-18,24-27,29-30H,8-10H2,1-4H3",VWIPRLLXWTUBOM,UHFFFAOYSA,N,Melledonol,VWIPRLLXWTUBOM-UHFFFAOYSA-N
HMDB35885,534.319268448,C30H46O8,CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O,"InChI=1S/C30H46O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-22,32,34-35,38H,8-14H2,1-7H3,(H,36,37)",RZBILUATLYXZLI,UHFFFAOYSA,N,Ganoderic acid L,RZBILUATLYXZLI-UHFFFAOYSA-N
HMDB35886,468.323959896,C30H44O4,CC12CC3(OC1=O)C1=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CCC3(C)CC2,"InChI=1S/C30H44O4/c1-24(2)19-8-11-29(7)22(27(19,5)10-9-21(24)32)18(31)16-20-28(29,6)15-14-26(4)13-12-25(3)17-30(20,26)34-23(25)33/h16,19,21-22,32H,8-15,17H2,1-7H3",NCFVZZZXSIOSQB,UHFFFAOYSA,N,Isoglabrolide,NCFVZZZXSIOSQB-UHFFFAOYSA-N
HMDB35887,238.193280076,C15H26O2,CC1CCC(CC\C(C)=C/CC1=O)C(C)(C)O,"InChI=1S/C15H26O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h6,12-13,17H,5,7-10H2,1-4H3/b11-6-",DWMJDYZSFOSGLA,WDZFZDKYSA,N,Germacrenone,DWMJDYZSFOSGLA-WDZFZDKYSA-N
HMDB35888,452.329045274,C30H44O3,CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C,"InChI=1S/C30H44O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10+",AQUHIKXTCOSRFY,KEBDBYFISA,N,Tyromycic acid,AQUHIKXTCOSRFY-KEBDBYFISA-N
HMDB35889,234.161979948,C15H22O2,CC(C)=C1CC2OC2(C)CC\C=C(C)/CC1=O,"InChI=1S/C15H22O2/c1-10(2)12-9-14-15(4,17-14)7-5-6-11(3)8-13(12)16/h6,14H,5,7-9H2,1-4H3/b11-6-",DWGVRYKQVZGSIB,WDZFZDKYSA,N,"Germacrone 4,5-epoxide",DWGVRYKQVZGSIB-WDZFZDKYSA-N
HMDB35890,472.246103506,C27H36O7,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C27H36O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-14,16,23,34H,7-12H2,1-6H3,(H,31,32)",NCGJGPSWDDQPKM,UHFFFAOYSA,N,Lucidenic acid K,NCGJGPSWDDQPKM-UHFFFAOYSA-N
HMDB35891,602.433510344,C40H58O4,COC1=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCC=C(C)C)=CC=C1O,"InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+",FODTZLFLDFKIQH,GHRIWEEISA,N,Oryzanol A,FODTZLFLDFKIQH-GHRIWEEISA-N
HMDB35892,1108.60293925,C54H92O23,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3",GZYPWOGIYAIIPV,UHFFFAOYSA,N,Ginsenoside Rb1,GZYPWOGIYAIIPV-UHFFFAOYSA-N
HMDB35893,718.356441814,C38H54O13,CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C,"InChI=1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+",QKEJRKXVLGOJMB,OUKQBFOZSA,N,Elaterinide,QKEJRKXVLGOJMB-OUKQBFOZSA-N
HMDB35894,192.07864425,C11H12O3,COC1=C2OCOC2=CC(\C=C/C)=C1,"InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3-",DHUZAAUGHUHIDS,ARJAWSKDSA,N,"(Z)-4-Methoxy-6-(1-propenyl)-1,3-benzodioxole",DHUZAAUGHUHIDS-ARJAWSKDSA-N
HMDB35895,528.272318256,C30H40O8,CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(O)=O,"InChI=1S/C30H40O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,19-20,38H,8-14H2,1-7H3,(H,36,37)",QXAZRJVLUHRKJT,UHFFFAOYSA,N,"20-Hydroxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid",QXAZRJVLUHRKJT-UHFFFAOYSA-N
HMDB35896,210.10446507,C15H14O,CC(=C)C1=CC2=C(C=O)C=CC2=C(C)C=C1,"InChI=1S/C15H14O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-9H,1H2,2-3H3",PUEUPUYRYIOTKZ,UHFFFAOYSA,N,Lactaroviolin,PUEUPUYRYIOTKZ-UHFFFAOYSA-N
HMDB35898,562.459725094,C35H62O5,CCCCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCCCC2=CC(C)OC2=O)O1,"InChI=1S/C35H62O5/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-31(36)32-25-26-34(40-32)33-24-23-30(39-33)21-18-15-13-14-17-20-29-27-28(2)38-35(29)37/h27-28,30-34,36H,3-26H2,1-2H3",XINHKDZHJWEKBB,UHFFFAOYSA,N,Robustocin,XINHKDZHJWEKBB-UHFFFAOYSA-N
HMDB35899,534.370910088,C35H50O4,CC(C)C(=O)C12C(=O)C3=C(OC(C)(C)C=C3)C(CC=C(C)C)(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O,"InChI=1S/C35H50O4/c1-22(2)13-12-18-33(11)26(15-14-23(3)4)21-34(20-16-24(5)6)30-27(17-19-32(9,10)39-30)29(37)35(33,31(34)38)28(36)25(7)8/h13-14,16-17,19,25-26H,12,15,18,20-21H2,1-11H3",FSQFBVMRHUNWAT,UHFFFAOYSA,N,Pyrohyperforin,FSQFBVMRHUNWAT-UHFFFAOYSA-N
HMDB35900,608.501589908,C37H68O6,CCCCCCCCCCCCCCCC(O)C(O)CC\C=C/CCCC(O)CCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H68O6/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-27-35(40)36(41)28-23-17-14-15-19-24-33(38)25-20-18-21-26-34(39)30-32-29-31(2)43-37(32)42/h14,17,29,31,33-36,38-41H,3-13,15-16,18-28,30H2,1-2H3/b17-14-",KQTROLJZWNACJT,VKAVYKQESA,N,Muricatenol,KQTROLJZWNACJT-VKAVYKQESA-N
HMDB35901,160.019414812,C6H8O3S,CC1=C(O)C(=O)C(C)(O)S1,"InChI=1S/C6H8O3S/c1-3-4(7)5(8)6(2,9)10-3/h7,9H,1-2H3",JYMIRUWYSKOKRU,UHFFFAOYSA,N,Thiacremonone,JYMIRUWYSKOKRU-UHFFFAOYSA-N
HMDB35902,246.125594442,C15H18O3,CC1=CC(=O)C(=CC1=O)C1(C)CC(=O)CC1(C)C,"InChI=1S/C15H18O3/c1-9-5-13(18)11(6-12(9)17)15(4)8-10(16)7-14(15,2)3/h5-6H,7-8H2,1-4H3",ZDVNWZXSNSTHPK,UHFFFAOYSA,N,Enokipodin B,ZDVNWZXSNSTHPK-UHFFFAOYSA-N
HMDB35903,248.141244506,C15H20O3,CC1=CC2=C(C=C1O)C1(C)CCC(O)(O2)C1(C)C,"InChI=1S/C15H20O3/c1-9-7-12-10(8-11(9)16)14(4)5-6-15(17,18-12)13(14,2)3/h7-8,16-17H,5-6H2,1-4H3",KANVQRLDTGOSBL,UHFFFAOYSA,N,Enokipodin A,KANVQRLDTGOSBL-UHFFFAOYSA-N
HMDB35904,771.294963769,C35H49NO18,CC1COC2(CC1OC(=O)C1=CC=CC=C1)OC1CC(CC(O)C1(O)C2O)C(=O)OC1CC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1NC(C)=O,"InChI=1S/C35H49NO18/c1-14-13-49-34(11-20(14)51-30(45)16-6-4-3-5-7-16)33(47)35(48)22(40)8-17(9-23(35)54-34)31(46)50-19-10-18(39)25(41)28(44)29(19)53-32-24(36-15(2)38)27(43)26(42)21(12-37)52-32/h3-7,14,17-29,32-33,37,39-44,47-48H,8-13H2,1-2H3,(H,36,38)",OFMUQXHBRUAVAD,UHFFFAOYSA,N,Phyllanthusol B,OFMUQXHBRUAVAD-UHFFFAOYSA-N
HMDB35905,1106.587289186,C54H90O23,C\C(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)=C\CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C4(C)C,"InChI=1S/C54H90O23/c1-24(20-70-46-44(68)40(64)36(60)29(75-46)21-71-47-42(66)38(62)34(58)27(18-56)73-47)7-6-8-25(17-55)26-11-13-52(5)32-10-9-31-50(2,3)33(12-14-53(31)23-54(32,53)16-15-51(26,52)4)77-49-45(69)41(65)37(61)30(76-49)22-72-48-43(67)39(63)35(59)28(19-57)74-48/h7,25-49,55-69H,6,8-23H2,1-5H3/b24-7-",LDXZNQGPXSJOLI,VAPIAZESSA,N,Quadranguloside,LDXZNQGPXSJOLI-VAPIAZESSA-N
HMDB35906,232.146329884,C15H20O2,CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12,"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3",PXOYOCNNSUAQNS,UHFFFAOYSA,N,Alantolactone,PXOYOCNNSUAQNS-UHFFFAOYSA-N
HMDB35907,170.13067982,C10H18O2,CC(C)(O)C1CCC(C)(O1)C=C,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3",BRHDDEIRQPDPMG,UHFFFAOYSA,N,Linalyl oxide,BRHDDEIRQPDPMG-UHFFFAOYSA-N
HMDB35908,476.277403634,C27H40O7,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3O,"InChI=1S/C27H40O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-16,18-19,28-29,31H,6-13H2,1-5H3,(H,33,34)",FWZRMYARQHUFQY,UHFFFAOYSA,N,Lucidenic acid H,FWZRMYARQHUFQY-UHFFFAOYSA-N
HMDB35909,558.231241302,C26H38O13,CC1C(O)C2(O)OCC34C2C2(C)C(O)C(O)C=C(C)C2CC3OC(=O)C(OC2OC(CO)C(O)C(O)C2O)C14,"InChI=1S/C26H38O13/c1-8-4-11(28)20(33)24(3)10(8)5-13-25-7-36-26(35,23(24)25)19(32)9(2)14(25)18(21(34)38-13)39-22-17(31)16(30)15(29)12(6-27)37-22/h4,9-20,22-23,27-33,35H,5-7H2,1-3H3",LEELVKKBWHNOAU,UHFFFAOYSA,N,Glaucarubol 15-O-beta-D-glucopyranoside,LEELVKKBWHNOAU-UHFFFAOYSA-N
HMDB35910,264.20893014,C17H28O2,CC1CCC2C(C)(C)C3CC12CCC3(C)OC(C)=O,"InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3",HQKQRXZEXPXXIG,UHFFFAOYSA,N,Cedryl acetate,HQKQRXZEXPXXIG-UHFFFAOYSA-N
HMDB35911,440.401816286,C31H52O,CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h21-26,32H,1,9-19H2,2-8H3",IXHACUTUTOCSJE,UHFFFAOYSA,N,Cyclolaudenol,IXHACUTUTOCSJE-UHFFFAOYSA-N
HMDB35912,470.33960996,C30H46O4,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1(C)O)C(O)=O,"InChI=1S/C30H46O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-21,23,34H,9-17H2,1-7H3,(H,32,33)",KQTSQSVDAUIWJH,UHFFFAOYSA,N,Pomonic acid,KQTSQSVDAUIWJH-UHFFFAOYSA-N
HMDB35913,204.187800768,C15H24,CC(C)=CCC\C(C)=C/CCC(=C)C=C,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12-",JSNRRGGBADWTMC,QINSGFPZSA,N,beta-Farnesene,JSNRRGGBADWTMC-QINSGFPZSA-N
HMDB35914,298.047738052,C16H10O6,OC1=CC2=C(C3C=COC3O2)C2=C1C1=C(C(=O)CC1)C(=O)O2,"InChI=1S/C16H10O6/c17-8-2-1-6-11-9(18)5-10-13(7-3-4-20-16(7)21-10)14(11)22-15(19)12(6)8/h3-5,7,16,18H,1-2H2",NRCXNPKDOMYPPJ,UHFFFAOYSA,N,Aflatoxin P1,NRCXNPKDOMYPPJ-UHFFFAOYSA-N
HMDB35915,126.10446507,C8H14O,CC(C)=CCCC(C)=O,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",UHEPJGULSIKKTP,UHFFFAOYSA,N,Sulcatone,UHEPJGULSIKKTP-UHFFFAOYSA-N
HMDB35916,140.120115134,C9H16O,CCCCCC(=O)\C=C/C,"InChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h4,7H,3,5-6,8H2,1-2H3/b7-4-",WTAYWTBOEQYGOG,DAXSKMNVSA,N,(E)-2-Nonen-4-one,WTAYWTBOEQYGOG-DAXSKMNVSA-N
HMDB35917,634.408083454,C36H58O9,CC(C\C=C\C(C)(C)O)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O,"InChI=1S/C36H58O9/c1-20(9-8-13-32(2,3)43)21-12-14-35(7)30-24(44-31-29(42)28(41)27(40)25(18-37)45-31)17-23-22(10-11-26(39)33(23,4)5)36(30,19-38)16-15-34(21,35)6/h8,13,17,19-22,24-31,37,39-43H,9-12,14-16,18H2,1-7H3/b13-8+",BOHOBTRHAFBJOW,MDWZMJQESA,N,Momordicoside L,BOHOBTRHAFBJOW-MDWZMJQESA-N
HMDB35918,272.198759384,C15H28O4,CC(C)(O)C(O)CCC(=C)C1CCC(C)(O)C(O)C1,"InChI=1S/C15H28O4/c1-10(5-6-12(16)14(2,3)18)11-7-8-15(4,19)13(17)9-11/h11-13,16-19H,1,5-9H2,2-4H3",DIVJRNQAZRYCIO,UHFFFAOYSA,N,"7(14)-Bisabolene-2,3,10,11-tetrol",DIVJRNQAZRYCIO-UHFFFAOYSA-N
HMDB35919,328.224974134,C18H32O5,CC\C=C/CC(O)C(O)\C=C\C(O)CCCCCCCC(O)=O,"InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+",MKYUCBXUUSZMQB,MKZMYESJSA,N,Corchorifatty acid F,MKYUCBXUUSZMQB-MKZMYESJSA-N
HMDB35920,426.386166222,C30H50O,CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1=C,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3",XWMMEBCFHUKHEX,UHFFFAOYSA,N,Taraxasterol,XWMMEBCFHUKHEX-UHFFFAOYSA-N
HMDB35921,470.194067936,C26H30O8,CC1(C)OC2CC(=O)OCC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=COC=C1,"InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3",KBDSLGBFQAGHBE,UHFFFAOYSA,N,Limonin,KBDSLGBFQAGHBE-UHFFFAOYSA-N
HMDB35922,390.204238692,C22H30O6,COC1=CC(C)C2CC3OC(O)CC4C(C)=C(OC)C(=O)C(C34C)C2(C)C1=O,"InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3",BDQNCUODBJZKIY,UHFFFAOYSA,N,Nigakihemiacetal B,BDQNCUODBJZKIY-UHFFFAOYSA-N
HMDB35923,233.090805615,C10H19NOS2,CS(=O)CCCCCCCCN=C=S,"InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3",BCRXKWOQVFKZAG,UHFFFAOYSA,N,Hirsutin,BCRXKWOQVFKZAG-UHFFFAOYSA-N
HMDB35924,67.042199165,C4H5N,N1C=CC=C1,InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,KAESVJOAVNADME,UHFFFAOYSA,N,Pyrrole,KAESVJOAVNADME-UHFFFAOYSA-N
HMDB35925,146.073164942,C10H10O,CC(=C)C1=CC=C(C=O)C=C1,"InChI=1S/C10H10O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-7H,1H2,2H3",IRWAASJGTLXGMV,UHFFFAOYSA,N,4-(1-Methylethenyl)benzaldehyde,IRWAASJGTLXGMV-UHFFFAOYSA-N
HMDB35926,140.120115134,C9H16O,CC(=O)CCCCCC=C,"InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3H,1,4-8H2,2H3",OIFXLYCBBBXCIB,UHFFFAOYSA,N,8-Nonen-2-one,OIFXLYCBBBXCIB-UHFFFAOYSA-N
HMDB35927,140.120115134,C9H16O,CCCCCC(=O)CC=C,"InChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h4H,2-3,5-8H2,1H3",WDBHYTAEQAWRCQ,UHFFFAOYSA,N,1-Nonen-4-one,WDBHYTAEQAWRCQ-UHFFFAOYSA-N
HMDB35928,568.428031036,C40H56O2,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",JKQXZKUSFCKOGQ,DKLMTRRASA,N,"beta,beta-Carotene-3,3'-diol",JKQXZKUSFCKOGQ-DKLMTRRASA-N
HMDB35929,138.10446507,C9H14O,CC(C)C1CCC(=O)C=C1,"InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3",AANMVENRNJYEMK,UHFFFAOYSA,N,(R)-Cryptone,AANMVENRNJYEMK-UHFFFAOYSA-N
HMDB35930,444.396730908,C30H52O2,CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1(C)O,"InChI=1S/C30H52O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h19-24,31-32H,9-18H2,1-8H3",FDNWHCZIHBJRLP,UHFFFAOYSA,N,"gamma-Taraxastane-3,20-diol",FDNWHCZIHBJRLP-UHFFFAOYSA-N
HMDB35931,446.121296924,C22H22O10,COC1=CC2=C(C(=O)C3=C(C=C(C)C=C3O)C2=O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1,"InChI=1S/C22H22O10/c1-8-3-10-15(12(24)4-8)19(27)16-11(17(10)25)5-9(30-2)6-13(16)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1",POMKXWCJRHNLRP,DQMLXFRHSA,N,Rheochrysin,POMKXWCJRHNLRP-DQMLXFRHSA-N
HMDB35934,232.146329884,C15H20O2,CC12CCCC(=C)C1CC1C(C2)OC(=O)C1=C,"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3",CVUANYCQTOGILD,UHFFFAOYSA,N,Isoalantolactone,CVUANYCQTOGILD-UHFFFAOYSA-N
HMDB35935,234.161979948,C15H22O2,CC1C2CC3C(=C)CCCC3(C)CC2OC1=O,"InChI=1S/C15H22O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h10-13H,1,4-8H2,2-3H3",YYJRTJYCOMIDIC,UHFFFAOYSA,N,Dihydroisoalantolactone,YYJRTJYCOMIDIC-UHFFFAOYSA-N
HMDB35939,594.449554338,C35H62O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(=O)CCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28,30-34,38-39H,3-26H2,1-2H3",PAFMHAFYJMTISR,UHFFFAOYSA,N,Squamone,PAFMHAFYJMTISR-UHFFFAOYSA-N
HMDB35940,716.298533006,C44H44O9,CC(C)=CCC1=C(O)C=CC2=C1OC(=C2)C1=CC(O)=C(C2C=C(C)CC(C2C(=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2)C2=C(O)C=C(O)C=C2)C(O)=C1,"InChI=1S/C44H44O9/c1-22(2)6-10-29-34(46)15-13-31(42(29)51)43(52)40-32(28-12-9-27(45)21-36(28)48)16-24(5)17-33(40)41-37(49)18-26(19-38(41)50)39-20-25-8-14-35(47)30(44(25)53-39)11-7-23(3)4/h6-9,12-15,17-21,32-33,40,45-51H,10-11,16H2,1-5H3",XMXZFZDVDCIFKB,UHFFFAOYSA,N,Mulberrofuran T,XMXZFZDVDCIFKB-UHFFFAOYSA-N
HMDB35941,650.251582814,C39H38O9,CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=C(\C=C\C3=C(O)C=C(O)C=C3)C=C2O)C2=C(O)C=C(O)C=C2)=C1O,"InChI=1S/C39H38O9/c1-20(2)4-10-27-31(42)13-12-28(38(27)47)39(48)36-29(26-11-9-25(41)19-33(26)44)14-21(3)15-30(36)37-34(45)16-22(17-35(37)46)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,29-30,36,40-47H,10,14H2,1-3H3/b6-5+",HGFWVFTZYRJFRI,AATRIKPKSA,N,Kuwanol E,HGFWVFTZYRJFRI-AATRIKPKSA-N
HMDB35942,787.289878391,C35H49NO19,CC1COC2(CC1OC(=O)C1=CC=C(O)C=C1)OC1CC(CC(O)C1(O)C2O)C(=O)OC1CC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1NC(C)=O,"InChI=1S/C35H49NO19/c1-13-12-50-34(10-20(13)52-30(46)15-3-5-17(39)6-4-15)33(48)35(49)22(41)7-16(8-23(35)55-34)31(47)51-19-9-18(40)25(42)28(45)29(19)54-32-24(36-14(2)38)27(44)26(43)21(11-37)53-32/h3-6,13,16,18-29,32-33,37,39-45,48-49H,7-12H2,1-2H3,(H,36,38)",SOPCBMVDCMSEPI,UHFFFAOYSA,N,Phyllanthusol A,SOPCBMVDCMSEPI-UHFFFAOYSA-N
HMDB35943,536.371304018,C31H52O7,CC(C)C(O)(CO)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O,"InChI=1S/C31H52O7/c1-17(2)30(38,16-32)14-20(33)18(3)19-9-10-27(5)21-7-8-22-28(6,25(36)37)23(34)13-24(35)31(22)15-29(21,31)12-11-26(19,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)",DHBRFQPOOWANLV,UHFFFAOYSA,N,Cyclopassifloic acid A,DHBRFQPOOWANLV-UHFFFAOYSA-N
HMDB35944,698.424127448,C37H62O12,CC(C)C(O)(CO)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C37H62O12/c1-18(2)36(47,17-39)14-21(40)19(3)20-9-10-33(5)23-7-8-24-34(6,31(46)49-30-29(45)28(44)27(43)22(15-38)48-30)25(41)13-26(42)37(24)16-35(23,37)12-11-32(20,33)4/h18-30,38-45,47H,7-17H2,1-6H3",JAWKFBIRZLWWEU,UHFFFAOYSA,N,Cyclopassifloside I,JAWKFBIRZLWWEU-UHFFFAOYSA-N
HMDB35945,536.371304018,C31H52O7,CC(C)C(O)(CO)CCC(C)(O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O,"InChI=1S/C31H52O7/c1-18(2)30(38,17-32)14-12-27(5,37)19-9-10-25(3)20-7-8-21-28(6,24(35)36)22(33)15-23(34)31(21)16-29(20,31)13-11-26(19,25)4/h18-23,32-34,37-38H,7-17H2,1-6H3,(H,35,36)",MXCWXDOOLGFUMA,UHFFFAOYSA,N,Cyclopassifloic acid C,MXCWXDOOLGFUMA-UHFFFAOYSA-N
HMDB35946,698.424127448,C37H62O12,CC(C)C(O)(CO)CCC(C)(O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C37H62O12/c1-19(2)36(47,18-39)14-12-33(5,46)21-9-10-31(3)22-7-8-23-34(6,30(45)49-29-28(44)27(43)26(42)20(16-38)48-29)24(40)15-25(41)37(23)17-35(22,37)13-11-32(21,31)4/h19-29,38-44,46-47H,7-18H2,1-6H3",SDQDTRRWJPGVGF,UHFFFAOYSA,N,Cyclopassifloside IV,SDQDTRRWJPGVGF-UHFFFAOYSA-N
HMDB35947,860.476950878,C43H72O17,CC(C)C(O)(CCC(C)(O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C43H72O17/c1-20(2)42(56,19-57-34-32(52)30(50)28(48)21(16-44)58-34)14-12-39(5,55)23-9-10-37(3)24-7-8-25-40(6,36(54)60-35-33(53)31(51)29(49)22(17-45)59-35)26(46)15-27(47)43(25)18-41(24,43)13-11-38(23,37)4/h20-35,44-53,55-56H,7-19H2,1-6H3",UIIFJGIBPPAIOI,UHFFFAOYSA,N,Cyclopassifloside V,UIIFJGIBPPAIOI-UHFFFAOYSA-N
HMDB35948,504.345089268,C30H48O6,CC(C)C(=O)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O,"InChI=1S/C30H48O6/c1-16(2)19(31)13-20(32)17(3)18-9-10-27(5)21-7-8-22-28(6,25(35)36)23(33)14-24(34)30(22)15-29(21,30)12-11-26(18,27)4/h16-18,20-24,32-34H,7-15H2,1-6H3,(H,35,36)",ULQMFCLUVWBZLS,UHFFFAOYSA,N,Cyclopassifloic acid D,ULQMFCLUVWBZLS-UHFFFAOYSA-N
HMDB35949,666.397912698,C36H58O11,CC(C)C(=O)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H58O11/c1-17(2)20(38)13-21(39)18(3)19-9-10-33(5)23-7-8-24-34(6,31(45)47-30-29(44)28(43)27(42)22(15-37)46-30)25(40)14-26(41)36(24)16-35(23,36)12-11-32(19,33)4/h17-19,21-30,37,39-44H,7-16H2,1-6H3",DQWGJNAMAZRGFN,UHFFFAOYSA,N,Cyclopassifloside VI,DQWGJNAMAZRGFN-UHFFFAOYSA-N
HMDB35950,406.381080844,C27H50O2,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)CC(C)=O,"InChI=1S/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h10-11H,3-9,12-25H2,1-2H3/b11-10-",JOPYJNRQQOWTHX,KHPPLWFESA,N,Nervonoylacetone,JOPYJNRQQOWTHX-KHPPLWFESA-N
HMDB35951,378.349780716,C25H46O2,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)CC(C)=O,"InChI=1S/C25H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24(2)26/h10-11H,3-9,12-23H2,1-2H3/b11-10-",MDFRVEWZNNVTRI,KHPPLWFESA,N,Erucoylacetone,MDFRVEWZNNVTRI-KHPPLWFESA-N
HMDB35952,434.412380972,C29H54O2,CCCCCCCC\C=C/CCCCCCCCCCCCCCCC(=O)CC(C)=O,"InChI=1S/C29H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(31)27-28(2)30/h10-11H,3-9,12-27H2,1-2H3/b11-10-",OFVPQPWVGAMWFR,KHPPLWFESA,N,Ximenoylacetone,OFVPQPWVGAMWFR-KHPPLWFESA-N
HMDB35953,462.4436811,C31H58O2,CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCC(=O)CC(C)=O,"InChI=1S/C31H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31(33)29-30(2)32/h10-11H,3-9,12-29H2,1-2H3/b11-10-",PCUWNQVNMSDXMY,KHPPLWFESA,N,"(Z)-22-Hentriacontene-2,4-dione",PCUWNQVNMSDXMY-KHPPLWFESA-N
HMDB35954,154.135765198,C10H18O,CC1(C)C2CCC(C)(O)CC12,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3",ZOKKRMIFZVQTTP,UHFFFAOYSA,N,"(1R*,3R*,6S*)-3-Caranol",ZOKKRMIFZVQTTP-UHFFFAOYSA-N
HMDB35955,154.135765198,C10H18O,CC1CCC2C(C1O)C2(C)C,"InChI=1S/C10H18O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3",RPPLFPVIBFQGJC,UHFFFAOYSA,N,"(1R*,2S*,3S*,6S*)-2-Caranol",RPPLFPVIBFQGJC-UHFFFAOYSA-N
HMDB35956,490.474981228,C33H62O2,CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCCC(=O)CC(C)=O,"InChI=1S/C33H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33(35)31-32(2)34/h10-11H,3-9,12-31H2,1-2H3/b11-10-",PYQSSJXHPITMSX,KHPPLWFESA,N,Lumequoylacetone,PYQSSJXHPITMSX-KHPPLWFESA-N
HMDB35957,488.350174646,C30H48O5,[H][C@@]1(CCC2[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]2(C)[C@@]11COC(=O)C1)[C@@H]1O[C@@]1(C)C[C@@H](O)C=C(C)C,"InChI=1S/C30H48O5/c1-18(2)14-19(31)15-29(7)25(35-29)20-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)30(20)16-24(33)34-17-30/h14,19-23,25,31-32H,8-13,15-17H2,1-7H3/t19-,20+,21?,22?,23-,25-,27-,28+,29-,30-/m0/s1",NICHEDAQBKUSBN,XNHBMLHPSA,N,Hovenolactone,NICHEDAQBKUSBN-XNHBMLHPSA-N
HMDB35958,796.460906884,C42H68O14,CC1OC(OC2C(O)C(CO)OC(OC3CCC4(C)C(CCC5(C)C4CCC(C4OC4(C)CC(O)C=C(C)C)C54COC(=O)C4)C3(C)C)C2O)C(O)C(O)C1O,"InChI=1S/C42H68O14/c1-20(2)15-22(44)16-41(8)35(56-41)23-9-10-26-39(6)13-12-27(38(4,5)25(39)11-14-40(26,7)42(23)17-28(45)51-19-42)54-37-33(50)34(30(47)24(18-43)53-37)55-36-32(49)31(48)29(46)21(3)52-36/h15,21-27,29-37,43-44,46-50H,9-14,16-19H2,1-8H3",BHPKMBDCWXHRQT,UHFFFAOYSA,N,Saponin E,BHPKMBDCWXHRQT-UHFFFAOYSA-N
HMDB35959,382.308309832,C23H42O4,CCCCCCCCCCCCCCC\C=C\C(=O)CC(O)COC(C)=O,"InChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h17-18,23,26H,3-16,19-20H2,1-2H3/b18-17+",NLXNQLZUOMHEHB,ISLYRVAYSA,N,Persenone B,NLXNQLZUOMHEHB-ISLYRVAYSA-N
HMDB35960,442.381080844,C30H50O2,CC(CC\C=C(\C)CO)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C,"InChI=1S/C30H50O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,21-23,25-26,31-32H,8,10,12-19H2,1-7H3/b20-9-",WCSYVWJCJYEXKL,UKWGHVSLSA,N,Masticadienediol,WCSYVWJCJYEXKL-UKWGHVSLSA-N
HMDB35961,676.230847372,C40H36O10,CC1=CC(C(C(C1)C1=C(O)C=C(O)C=C1)C(=O)C1=C(O)C2=C(OC(C)(C)C=C2)C=C1)C1=C(O)C=CC(C(=O)\C=C\C2=C(O)C=C(O)C=C2)=C1O,"InChI=1S/C40H36O10/c1-20-16-28(24-8-7-23(42)19-33(24)46)35(39(49)27-10-13-34-26(37(27)47)14-15-40(2,3)50-34)29(17-20)36-31(44)12-9-25(38(36)48)30(43)11-5-21-4-6-22(41)18-32(21)45/h4-15,17-19,28-29,35,41-42,44-48H,16H2,1-3H3/b11-5+",JIQSDJNLGMFGDV,VZUCSPMQSA,N,Artonin D,JIQSDJNLGMFGDV-VZUCSPMQSA-N
HMDB35962,472.355260024,C30H48O4,CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C30H48O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,22-24,31-32H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+",QHLHTTNIUVMWRY,VXLYETTFSA,N,Ganoderic acid U,QHLHTTNIUVMWRY-VXLYETTFSA-N
HMDB35963,274.193280076,C18H26O2,C\C=C\C=C\C#C\C=C/CCCCCCCCC(O)=O,"InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-9H,10-17H2,1H3,(H,19,20)/b3-2+,5-4+,9-8-",KDVOULUCGQGVQH,IUDSIRJBSA,N,"(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid",KDVOULUCGQGVQH-IUDSIRJBSA-N
HMDB35964,678.246497436,C40H38O10,CC(C)\C=C\C1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=CC(C(=O)\C=C\C3=C(O)C=C(O)C=C3)=C2O)C2=C(O)C=C(O)C=C2)=C1O,"InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-15,17-20,29-30,36,41-42,44-49H,16H2,1-3H3/b9-4+,13-6+",JMWCPXJWKKIWQK,NUTCGYRKSA,N,Artonin C,JMWCPXJWKKIWQK-NUTCGYRKSA-N
HMDB35965,216.151415262,C15H20O,CC(C)=C1CC2C(C)=CC=CC2(C)CC1=O,"InChI=1S/C15H20O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h5-7,13H,8-9H2,1-4H3",DVGWOFUZNUYQPS,UHFFFAOYSA,N,"5beta-1,3,7(11)-Eudesmatrien-8-one",DVGWOFUZNUYQPS-UHFFFAOYSA-N
HMDB35966,634.408083454,C36H58O9,CC(CC(OC1OC(CO)C(O)C(O)C1O)C=C(C)C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O,"InChI=1S/C36H58O9/c1-19(2)14-21(44-32-30(43)29(42)28(41)26(17-37)45-32)15-20(3)22-10-11-35(7)31-25(39)16-24-23(8-9-27(40)33(24,4)5)36(31,18-38)13-12-34(22,35)6/h14,16,18,20-23,25-32,37,39-43H,8-13,15,17H2,1-7H3",WCYLDCDQWJYEPO,UHFFFAOYSA,N,Momordicin II,WCYLDCDQWJYEPO-UHFFFAOYSA-N
HMDB35967,482.412380972,C33H54O2,CC(C)C(\C)=C\CC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(OC(C)=O)C4(C)C,"InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h10,21,23,25-28H,11-20H2,1-9H3/b22-10+",BBSRNANRWHSVJE,LSHDLFTRSA,N,24-Methylcycloart-23-en-3beta-yl acetate,BBSRNANRWHSVJE-LSHDLFTRSA-N
HMDB35968,440.401816286,C31H52O,CC(C)C(\C)=C\CC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h9,20,22-26,32H,10-19H2,1-8H3/b21-9+",BTLJUKNIXFTSMI,ZVBGSRNCSA,N,Cyclosadol,BTLJUKNIXFTSMI-ZVBGSRNCSA-N
HMDB35969,428.401816286,C30H52O,[H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCCC(C)C)CC[C@H](O)C3(C)C,"InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1",YABASAWVVRQMEU,YBXTVTTCSA,N,Cycloartanol,YABASAWVVRQMEU-YBXTVTTCSA-N
HMDB35970,470.303224454,C29H42O5,CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CO)C(O)CCC5(C)C4=CCC23C)O1,"InChI=1S/C29H42O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h8,10,17,21-23,30,32H,7,9,11-16H2,1-6H3",AZFKWPDLOCRQKE,UHFFFAOYSA,N,"(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione",AZFKWPDLOCRQKE-UHFFFAOYSA-N
HMDB35971,468.28757439,C29H40O5,CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)C=CC(=O)C(C)(CO)C2CC4)O1,"InChI=1S/C29H40O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h11-12,17,21-22,30H,7-10,13-16H2,1-6H3",BQWYLPVWSPZWPN,UHFFFAOYSA,N,"(17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione",BQWYLPVWSPZWPN-UHFFFAOYSA-N
HMDB35972,468.360345402,C31H48O3,CC(CCC(=C)C(C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C,"InChI=1S/C31H48O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-24H,1,8-18H2,2-7H3,(H,33,34)",HTNUCKDQVIZWMJ,UHFFFAOYSA,N,Ambonic acid,HTNUCKDQVIZWMJ-UHFFFAOYSA-N
HMDB35973,462.298139076,C27H42O6,CC(CCC(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C27H42O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-20,28,30-31H,7-13H2,1-6H3,(H,32,33)",DPRVTGUHOBXEIW,UHFFFAOYSA,N,Lucidenic acid M,DPRVTGUHOBXEIW-UHFFFAOYSA-N
HMDB35974,250.023454332,C11H10N2OS2,CSC1=NCC2(S1)C(=O)NC1=C2C=CC=C1,"InChI=1S/C11H10N2OS2/c1-15-10-12-6-11(16-10)7-4-2-3-5-8(7)13-9(11)14/h2-5H,6H2,1H3,(H,13,14)",FUHQSEOSBHASCH,UHFFFAOYSA,N,(S)-Spirobrassinin,FUHQSEOSBHASCH-UHFFFAOYSA-N
HMDB35975,474.26175357,C27H38O7,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O,"InChI=1S/C27H38O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-14,16-17,23,29,34H,7-12H2,1-6H3,(H,31,32)",CVEGYVMAZQZPTH,UHFFFAOYSA,N,Lucidenic acid L,CVEGYVMAZQZPTH-UHFFFAOYSA-N
HMDB35976,474.26175357,C27H38O7,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3=O,"InChI=1S/C27H38O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-15,18-19,28,31H,6-13H2,1-5H3,(H,33,34)",VJIIJXSVQOCMDZ,UHFFFAOYSA,N,Lucidenic acid I,VJIIJXSVQOCMDZ-UHFFFAOYSA-N
HMDB35977,472.355260024,C30H48O4,CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C,"InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3",KASALCUNLBTNAA,UHFFFAOYSA,N,Ganodermanontriol,KASALCUNLBTNAA-UHFFFAOYSA-N
HMDB35978,644.39243339,C37H56O9,COC1CC2C(C)(C)C(CCC2(C)C2=C1C1(C)C(CC(C(C)C(C\C=C(/C)C(O)=O)OC(C)=O)C1(C)CC2)OC(C)=O)OC(C)=O,"InChI=1S/C37H56O9/c1-20(33(41)42)12-13-27(44-22(3)38)21(2)26-18-31(46-24(5)40)37(10)32-25(14-17-36(26,37)9)35(8)16-15-30(45-23(4)39)34(6,7)29(35)19-28(32)43-11/h12,21,26-31H,13-19H2,1-11H3,(H,41,42)/b20-12+",GXKWNYCHKLAQPO,UDWIEESQSA,N,O-Methylganoderic acid O,GXKWNYCHKLAQPO-UDWIEESQSA-N
HMDB35979,440.401816286,C31H52O,CC(CCC(C)=C(C)C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h22-26,32H,9-19H2,1-8H3",CIBNJPPYSPYHDB,UHFFFAOYSA,N,Cyclobranol,CIBNJPPYSPYHDB-UHFFFAOYSA-N
HMDB35980,512.277403634,C30H40O7,CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21H,8-14H2,1-7H3,(H,36,37)",VBGDQDJVTLQGNO,UHFFFAOYSA,N,"3,7,11,15,23-Pentaoxolanost-8-en-26-oic acid",VBGDQDJVTLQGNO-UHFFFAOYSA-N
HMDB35981,850.507857076,C46H74O14,COC1C=C2C(CCC(OC3OCC(OC(C)=O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(COC(C)=O)C(O)C(O)C1O,"InChI=1S/C46H74O14/c1-23(2)13-12-14-24(3)34-30(58-42-39(53)37(51)35(49)32(59-42)21-55-25(4)47)20-46(10)40-29(54-11)19-28-27(44(40,8)17-18-45(34,46)9)15-16-33(43(28,6)7)60-41-38(52)36(50)31(22-56-41)57-26(5)48/h13,19,24,27,29-42,49-53H,12,14-18,20-22H2,1-11H3",AMBFYXVSRGPNHQ,UHFFFAOYSA,N,Hebevinoside V,AMBFYXVSRGPNHQ-UHFFFAOYSA-N
HMDB35982,794.481642326,C43H70O13,CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(O)C(O)C1O,"InChI=1S/C43H70O13/c1-21(2)11-10-12-22(3)31-28(54-39-36(51)34(49)33(48)29(55-39)20-52-23(4)44)18-43(9)37-26(45)17-25-24(41(37,7)15-16-42(31,43)8)13-14-30(40(25,5)6)56-38-35(50)32(47)27(46)19-53-38/h11,17,22,24,26-39,45-51H,10,12-16,18-20H2,1-9H3",ZSGIZQTTWRMUOQ,UHFFFAOYSA,N,Hebevinoside III,ZSGIZQTTWRMUOQ-UHFFFAOYSA-N
HMDB35983,436.334130652,C30H44O2,CC(CC\C=C(/C)C=O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C,"InChI=1S/C30H44O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,19,21-22,25H,8,10,12-13,15-18H2,1-7H3/b20-9+",RHNFCIPJKSUUES,AWQFTUOYSA,N,Ganoderal A,RHNFCIPJKSUUES-AWQFTUOYSA-N
HMDB35984,470.194067936,C26H30O8,CC12CC(O)C3C4(C)C=CC(=O)OC(C)(C)C4CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1,"InChI=1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3",OZGKITZRRFNYRV,UHFFFAOYSA,N,Zapoterin,OZGKITZRRFNYRV-UHFFFAOYSA-N
HMDB35985,532.303618384,C30H44O8,CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-20,25,32-33,36H,8-13H2,1-7H3,(H,37,38)",BPJPBLZKOVIJQD,UHFFFAOYSA,N,Ganoderic acid G,BPJPBLZKOVIJQD-UHFFFAOYSA-N
HMDB35986,574.31418307,C32H46O9,CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C32H46O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19-22,27,35-36H,9-14H2,1-8H3,(H,39,40)",OEHYQHPDUCRLMW,UHFFFAOYSA,N,Ganoderic acid K,OEHYQHPDUCRLMW-UHFFFAOYSA-N
HMDB35987,572.298533006,C32H44O9,CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O,"InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-22,27,36H,9-14H2,1-8H3,(H,39,40)",YCXUCEXEMJPDRZ,UHFFFAOYSA,N,Ganoderic acid H,YCXUCEXEMJPDRZ-UHFFFAOYSA-N
HMDB35988,570.282882942,C32H42O9,CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21,27H,9-14H2,1-8H3,(H,39,40)",BWCNWXLKMWWVBT,UHFFFAOYSA,N,Ganoderic acid F,BWCNWXLKMWWVBT-UHFFFAOYSA-N
HMDB35989,164.120115134,C11H16O,COC1=C(C=CC(C)=C1)C(C)C,"InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3",LSQXNMXDFRRDSJ,UHFFFAOYSA,N,Thymol methyl ether,LSQXNMXDFRRDSJ-UHFFFAOYSA-N
HMDB35990,727.559833067,C41H77NO9,CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C(/C)CCCCCCCCC,"InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+",YBSQGNFRWZKFMJ,BOLNYJQLSA,N,Cerebroside B,YBSQGNFRWZKFMJ-BOLNYJQLSA-N
HMDB35992,204.187800773,C15H24,CC(C)=CCCC(=C)C1CCC(C)=CC1,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3",XZRVRYFILCSYSP,UHFFFAOYSA,N,beta-Bisabolene,XZRVRYFILCSYSP-UHFFFAOYSA-N
HMDB35993,252.074621504,C11H12N2O5,NC(CCC(=O)NC1=CC(=O)C(=O)C=C1)C(O)=O,"InChI=1S/C11H12N2O5/c12-7(11(17)18)2-4-10(16)13-6-1-3-8(14)9(15)5-6/h1,3,5,7H,2,4,12H2,(H,13,16)(H,17,18)",PIJUAYKLMIQQRF,UHFFFAOYSA,N,"N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine",PIJUAYKLMIQQRF-UHFFFAOYSA-N
HMDB35994,596.465204402,C35H64O7,CCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(O)CCCCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-16-21-31(38)33-23-24-34(42-33)32(39)22-17-12-14-19-29(37)18-13-10-11-15-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3",OSJHMIVGKCXWHH,UHFFFAOYSA,N,Squamoxinone C,OSJHMIVGKCXWHH-UHFFFAOYSA-N
HMDB35995,458.33960996,C29H46O4,COC(=O)C1(CC=C(C)C)CC(CC=C(C)C)C(C)(CCC=C(C)C)C(C(=O)C(C)C)C1=O,"InChI=1S/C29H46O4/c1-19(2)12-11-16-28(9)23(14-13-20(3)4)18-29(27(32)33-10,17-15-21(5)6)26(31)24(28)25(30)22(7)8/h12-13,15,22-24H,11,14,16-18H2,1-10H3",QVUJYADKXQKJHK,UHFFFAOYSA,N,"2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone",QVUJYADKXQKJHK-UHFFFAOYSA-N
HMDB35996,243.035399227,C13H9NO2S,CSC1=CC2=NC3=CC=CC=C3OC2=CC1=O,"InChI=1S/C13H9NO2S/c1-17-13-6-9-12(7-10(13)15)16-11-5-3-2-4-8(11)14-9/h2-7H,1H3",XSOVEYYOJRSJQH,UHFFFAOYSA,N,2-(Methylthio)-3H-phenoxazin-3-one,XSOVEYYOJRSJQH-UHFFFAOYSA-N
HMDB35998,460.39164553,C30H52O3,CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C30H52O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-24,31-33H,8-18H2,1-7H3",BKRIPHYESIGPJC,UHFFFAOYSA,N,"(3beta,24xi)-Cycloartane-3,24,25-triol",BKRIPHYESIGPJC-UHFFFAOYSA-N
HMDB35999,602.381868704,C35H54O8,COC1CC2C(C)(C)C(CCC2(C)C2=C1C1(C)C(O)CC(C(C)C(C\C=C(/C)C(O)=O)OC(C)=O)C1(C)CC2)OC(C)=O,"InChI=1S/C35H54O8/c1-19(31(39)40)11-12-25(42-21(3)36)20(2)24-17-28(38)35(9)30-23(13-16-34(24,35)8)33(7)15-14-29(43-22(4)37)32(5,6)27(33)18-26(30)41-10/h11,20,24-29,38H,12-18H2,1-10H3,(H,39,40)/b19-11+",SSISLAMFCZQHEH,YBFXNURJSA,N,Ganoderic acid Mg,SSISLAMFCZQHEH-YBFXNURJSA-N
HMDB36000,454.344695338,C30H46O3,CC(CCC1OC1(C)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C,"InChI=1S/C30H46O3/c1-19(8-11-25-30(7,18-31)33-25)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31H,8,10-12,14-18H2,1-7H3",XOBQAKLXNUVCPN,UHFFFAOYSA,N,Epoxyganoderiol B,XOBQAKLXNUVCPN-UHFFFAOYSA-N
HMDB36001,472.355260024,C30H48O4,CC(CCC1OC1(C)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3O,"InChI=1S/C30H48O4/c1-18(8-9-24-30(7,17-31)34-24)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,21-22,24,31-32H,8-17H2,1-7H3",XRLVMZVXPMYCSF,UHFFFAOYSA,N,Epoxyganoderiol A,XRLVMZVXPMYCSF-UHFFFAOYSA-N
HMDB36002,454.344695338,C30H46O3,CC(CC\C=C(/C)C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3O,"InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,23-24,32H,8,10-17H2,1-7H3/b19-9+",ALBRPHJUQRKZLQ,DJKKODMXSA,N,Ganoderal B,ALBRPHJUQRKZLQ-DJKKODMXSA-N
HMDB36003,204.187800768,C15H24,CC1CCC2=C1CC(CCC2C)C(C)=C,"InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3",ADIDQIZBYUABQK,UHFFFAOYSA,N,alpha-Guaiene,ADIDQIZBYUABQK-UHFFFAOYSA-N
HMDB36004,204.187800768,C15H24,CC1CCC2CC3=C(C)CCC13C2(C)C,"InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3",RTBLDXVIGWSICW,UHFFFAOYSA,N,alpha-Cyperene,RTBLDXVIGWSICW-UHFFFAOYSA-N
HMDB36005,248.141244506,C15H20O3,CC1CCC(=O)C2CC3OC(=O)C(C)=C3CC12C,"InChI=1S/C15H20O3/c1-8-4-5-12(16)11-6-13-10(7-15(8,11)3)9(2)14(17)18-13/h8,11,13H,4-7H2,1-3H3",IXMDYOSMFGVWJY,UHFFFAOYSA,N,Istanbulin B,IXMDYOSMFGVWJY-UHFFFAOYSA-N
HMDB36006,240.042258744,C14H8O4,OC1=CC2=C(C(O)=C1)C(=O)C1=CC=CC=C1C2=O,"InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H",WPWWKBNOXTZDQJ,UHFFFAOYSA,N,Xanthopurpurin,WPWWKBNOXTZDQJ-UHFFFAOYSA-N
HMDB36007,454.344695338,C30H46O3,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O,"InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)",MUCRYNWJQNHDJH,UHFFFAOYSA,N,Ursonic acid,MUCRYNWJQNHDJH-UHFFFAOYSA-N
HMDB36008,498.370910088,C32H50O4,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O,"InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)",PHFUCJXOLZAQNH,UHFFFAOYSA,N,Acetylursolic acid,PHFUCJXOLZAQNH-UHFFFAOYSA-N
HMDB36009,608.174120354,C28H32O15,COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(C)C=C1OC1OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O)C2=O,"InChI=1S/C28H32O15/c1-9-3-11-18(22(34)17-12(19(11)31)5-10(39-2)6-13(17)30)14(4-9)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3",LHWONDXFTUKXDH,UHFFFAOYSA,N,Physcion 8-gentiobioside,LHWONDXFTUKXDH-UHFFFAOYSA-N
HMDB36010,384.214803378,C20H32O7,CC(C)C1(O)CC2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C,"InChI=1S/C20H32O7/c1-10(2)15(22)9-17(24)13(4)8-18(25)14(15,5)20(17,26)19(27-18)12(21)11(3)6-7-16(13,19)23/h10-12,21-26H,6-9H2,1-5H3",TVHZPQAYPSOHQT,UHFFFAOYSA,N,Cinnzeylanol,TVHZPQAYPSOHQT-UHFFFAOYSA-N
HMDB36011,426.225368064,C22H34O8,CC(C)C1(O)CC2(O)C3(C)CC4(O)OC5(C(OC(C)=O)C(C)CCC35O)C2(O)C14C,"InChI=1S/C22H34O8/c1-11(2)17(24)10-19(26)15(5)9-20(27)16(17,6)22(19,28)21(30-20)14(29-13(4)23)12(3)7-8-18(15,21)25/h11-12,14,24-28H,7-10H2,1-6H3",DFYFOAFKHRTQLA,UHFFFAOYSA,N,Cinnzeylanine,DFYFOAFKHRTQLA-UHFFFAOYSA-N
HMDB36012,400.334130652,C27H44O2,CC(C)C(=O)C1C(=O)C(CC=C(C)C)CC(CC=C(C)C)C1(C)CCC=C(C)C,"InChI=1S/C27H44O2/c1-18(2)11-10-16-27(9)23(15-13-20(5)6)17-22(14-12-19(3)4)26(29)24(27)25(28)21(7)8/h11-13,21-24H,10,14-17H2,1-9H3",AXAAMKAGJNUYDB,UHFFFAOYSA,N,"5-Methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone",AXAAMKAGJNUYDB-UHFFFAOYSA-N
HMDB36013,368.271530396,C25H36O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1CCC2=CC(O)=CC=C2O1,"InChI=1S/C25H36O2/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-24-16-14-22-18-23(26)15-17-25(22)27-24/h8,10,12,15,17-18,24,26H,5-7,9,11,13-14,16H2,1-4H3/b20-10+,21-12+",WSTGHGHPTQPFAP,YARIIHNNSA,N,"(R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol",WSTGHGHPTQPFAP-YARIIHNNSA-N
HMDB36014,626.18468504,C28H34O16,COC1=CC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)=CC2=C1OC1=C(OC)C=CC(OC)=C1C2=O,"InChI=1S/C28H34O16/c1-37-12-4-5-13(38-2)25-17(12)18(31)11-6-10(7-14(39-3)24(11)43-25)40-28-26(22(35)20(33)16(9-30)42-28)44-27-23(36)21(34)19(32)15(8-29)41-27/h4-7,15-16,19-23,26-30,32-36H,8-9H2,1-3H3",MVCRPAXAMRBATF,UHFFFAOYSA,N,"7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside]",MVCRPAXAMRBATF-UHFFFAOYSA-N
HMDB36015,386.266838948,C21H38O6,CCCCCCCCCC1CCC=CC1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H38O6/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)26-21-20(25)19(24)18(23)17(14-22)27-21/h10,13,15-25H,2-9,11-12,14H2,1H3",UMZTUZCMBMNJSZ,UHFFFAOYSA,N,Mangalkanyl glucoside,UMZTUZCMBMNJSZ-UHFFFAOYSA-N
HMDB36016,424.370516158,C30H48O,CC1(C)CCC2(C)CCC3(C)C(CC(=O)C4C5(C)CCCC(C)(C)C5CCC34C)=C2C1,"InChI=1S/C30H48O/c1-25(2)14-15-27(5)16-17-29(7)20(21(27)19-25)18-22(31)24-28(6)12-9-11-26(3,4)23(28)10-13-30(24,29)8/h23-24H,9-19H2,1-8H3",MQILTVJSXIHHGW,UHFFFAOYSA,N,Mangiferoleanone,MQILTVJSXIHHGW-UHFFFAOYSA-N
HMDB36017,426.386166222,C30H50O,CC1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-23,25H,9-18H2,1-8H3",YEVQBJVJPQFPNE,UHFFFAOYSA,N,Mangiferursanone,YEVQBJVJPQFPNE-UHFFFAOYSA-N
HMDB36018,428.36543078,C29H48O2,CC1C(O)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12,"InChI=1S/C29H48O2/c1-18-20(30)10-13-26(4)16-17-28(6)19(24(18)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h18-22,24,30H,8-17H2,1-7H3",KUBDEHGZXKPATK,UHFFFAOYSA,N,Mangiferdesmethylursanone,KUBDEHGZXKPATK-UHFFFAOYSA-N
HMDB36021,176.120115134,C12H16O,CC1CC(C)(CO1)C1=CC=CC=C1,"InChI=1S/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",GPMLJOOQCIHFET,UHFFFAOYSA,N,Rhubafuran,GPMLJOOQCIHFET-UHFFFAOYSA-N
HMDB36022,192.151415262,C13H20O,CC1OC2(C=C1)C(C)C(C)CC=C2C,"InChI=1S/C13H20O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14-13/h6-9,11-12H,5H2,1-4H3",WYTVJTNOJJKEEQ,UHFFFAOYSA,N,Isospirene,WYTVJTNOJJKEEQ-UHFFFAOYSA-N
HMDB36023,206.167065326,C14H22O,CCC1=CCCC(C)(C)C11OC(C)C=C1,"InChI=1S/C14H22O/c1-5-12-7-6-9-13(3,4)14(12)10-8-11(2)15-14/h7-8,10-11H,5-6,9H2,1-4H3",NHJSLVJXXDHDRV,UHFFFAOYSA,N,Etaspirene,NHJSLVJXXDHDRV-UHFFFAOYSA-N
HMDB36024,206.167065326,C14H22O,CC(C)C1CCC(C)=CC11OC(C)C=C1,"InChI=1S/C14H22O/c1-10(2)13-6-5-11(3)9-14(13)8-7-12(4)15-14/h7-10,12-13H,5-6H2,1-4H3",QQLMXACDDRGTPU,UHFFFAOYSA,N,"10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene",QQLMXACDDRGTPU-UHFFFAOYSA-N
HMDB36025,206.13067982,C13H18O2,CC1CC(C)(OC(C)O1)C1=CC=CC=C1,"InChI=1S/C13H18O2/c1-10-9-13(3,15-11(2)14-10)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3",IEZPIUQRQRWIFE,UHFFFAOYSA,N,"2,4,6-Trimethyl-4-phenyl-1,3-dioxane",IEZPIUQRQRWIFE-UHFFFAOYSA-N
HMDB36026,194.167065326,C13H22O,CC(C)C1CCC2CC(=O)CCC2C1,"InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3",HEKJOMVJRYMUDB,UHFFFAOYSA,N,Octahydro-6-isopropyl-2(1H)-naphthalenone,HEKJOMVJRYMUDB-UHFFFAOYSA-N
HMDB36027,192.151415262,C13H20O,C\C=C/C(=O)C1C(C)=CCCC1(C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5-",CRIGTVCBMUKRSL,ALCCZGGFSA,N,alpha-Damascone,CRIGTVCBMUKRSL-ALCCZGGFSA-N
HMDB36028,407.145676136,C20H20F3N3O3,CNC(=O)C(=N\OC)\C1=CC=CC=C1\C=N\OC(C)C1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C20H20F3N3O3/c1-13(14-8-6-9-16(11-14)20(21,22)23)29-25-12-15-7-4-5-10-17(15)18(26-28-3)19(27)24-2/h4-13H,1-3H3,(H,24,27)/b25-12+,26-18+",PQHXFGUTAAIHOC,XZZSYSLUSA,N,alpha-(Methoxyimino)-N-methyl-2-[[[1-[3-(trifluoromethyl)phenyl]ethoxy]imino]methyl]benzeneacetamide,PQHXFGUTAAIHOC-XZZSYSLUSA-N
HMDB36029,200.141244506,C11H20O3,CCCC1CC(C)(CCO1)OC(C)=O,"InChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3",GURYYNWDVKXZAT,UHFFFAOYSA,N,Clarycet,GURYYNWDVKXZAT-UHFFFAOYSA-N
HMDB36030,167.131014171,C10H17NO,CC12CCC(C)(CCC1)C2=NO,"InChI=1S/C10H17NO/c1-9-4-3-5-10(2,7-6-9)8(9)11-12/h12H,3-7H2,1-2H3",RADAAKRXEPVXBU,UHFFFAOYSA,N,Buccoxime,RADAAKRXEPVXBU-UHFFFAOYSA-N
HMDB36031,209.177964363,C13H23NO,CC(C)C(=N\O)\C(C)(C)C\C=C(/C)C=C,"InChI=1S/C13H23NO/c1-7-11(4)8-9-13(5,6)12(14-15)10(2)3/h7-8,10,15H,1,9H2,2-6H3/b11-8+,14-12-",MEJYWDUBOCZFFS,FENWIEIGSA,N,Labienoxime,MEJYWDUBOCZFFS-FENWIEIGSA-N
HMDB36032,238.193280076,C15H26O2,CC1=CCC2C(C)(C)C(O)CCC2(C)C1CO,"InChI=1S/C15H26O2/c1-10-5-6-12-14(2,3)13(17)7-8-15(12,4)11(10)9-16/h5,11-13,16-17H,6-9H2,1-4H3",SYSFCGLKPBVTDQ,UHFFFAOYSA,N,"3beta-7-Drimene-3,11-diol",SYSFCGLKPBVTDQ-UHFFFAOYSA-N
HMDB36033,496.209718,C28H32O8,CC(=O)OC1CC2C(C\C=C/C(=O)OC2(C)C)C2=CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1,"InChI=1S/C28H32O8/c1-15(29)33-20-13-19-17(7-6-8-21(30)35-25(19,2)3)18-9-11-26(4)22(16-10-12-32-14-16)34-24(31)23-28(26,36-23)27(18,20)5/h6,8-10,12,14,17,19-20,22-23H,7,11,13H2,1-5H3/b8-6-",VIZDPIMTQWFZEF,VURMDHGXSA,N,7alpha-1(10->19)-Abeo-7-acetoxyobacun-9(11)-ene,VIZDPIMTQWFZEF-VURMDHGXSA-N
HMDB36034,186.161979948,C11H22O2,COC(OC)C(C)(C)CC=C(C)C,"InChI=1S/C11H22O2/c1-9(2)7-8-11(3,4)10(12-5)13-6/h7,10H,8H2,1-6H3",RDHNTAXPFZIMDN,UHFFFAOYSA,N,"6,6-Dimethoxy-2,5,5-trimethyl-2-hexene",RDHNTAXPFZIMDN-UHFFFAOYSA-N
HMDB36035,234.161979948,C15H22O2,[H][C@@]12OCC3=CC[C@]4([H])[C@](CO1)(CCCC4(C)C)[C@@]23[H],"InChI=1S/C15H22O2/c1-14(2)6-3-7-15-9-17-13-12(15)10(8-16-13)4-5-11(14)15/h4,11-13H,3,5-9H2,1-2H3/t11-,12+,13+,15+/m0/s1",VPPKLPHBKTZWEF,KYEXWDHISA,N,Marasmene,VPPKLPHBKTZWEF-KYEXWDHISA-N
HMDB36036,250.15689457,C15H22O3,CC1(C)C(O)CCC23COC4OCC(=CCC12)C34,"InChI=1S/C15H22O3/c1-14(2)10-4-3-9-7-17-13-12(9)15(10,8-18-13)6-5-11(14)16/h3,10-13,16H,4-8H2,1-2H3",DJJQAEJJUDCQHY,UHFFFAOYSA,N,3beta-Dihydroxymarasmene,DJJQAEJJUDCQHY-UHFFFAOYSA-N
HMDB36037,250.15689457,C15H22O3,CC1(CO)CCCC23COC4OCC(=CCC12)C34,"InChI=1S/C15H22O3/c1-14(8-16)5-2-6-15-9-18-13-12(15)10(7-17-13)3-4-11(14)15/h3,11-13,16H,2,4-9H2,1H3",VNQZAZXRYYZGBO,UHFFFAOYSA,N,13-Hydroxymarasmene,VNQZAZXRYYZGBO-UHFFFAOYSA-N
HMDB36038,266.151809192,C15H22O4,[H][C@@]12OCC3=CC[C@]4([H])C([C@H](O)O1)(C23)[C@@H](O)CCC4(C)C,"InChI=1S/C15H22O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,9-13,16-17H,4-7H2,1-2H3/t9-,10-,11?,12+,13+,15?/m0/s1",HLFAYJASJWZZCH,GAXMWCNXSA,N,"1alpha,15-Dihydroxymarasmene",HLFAYJASJWZZCH-GAXMWCNXSA-N
HMDB36039,266.151809192,C15H22O4,CC1(C)C(O)CCC23C(O)OC4OCC(=CCC12)C34,"InChI=1S/C15H22O4/c1-14(2)9-4-3-8-7-18-12-11(8)15(9,13(17)19-12)6-5-10(14)16/h3,9-13,16-17H,4-7H2,1-2H3",INMDHOFDLKYMSO,UHFFFAOYSA,N,"3alpha,15-Dihydroxymarasmene",INMDHOFDLKYMSO-UHFFFAOYSA-N
HMDB36040,248.141244506,C15H20O3,CC1(C)C2CC=C3COC4OCC2(CCC1=O)C34,"InChI=1S/C15H20O3/c1-14(2)10-4-3-9-7-17-13-12(9)15(10,8-18-13)6-5-11(14)16/h3,10,12-13H,4-8H2,1-2H3",WLRHPKXUDFBEPM,UHFFFAOYSA,N,Marasmen-3-one,WLRHPKXUDFBEPM-UHFFFAOYSA-N
HMDB36041,154.135765198,C10H18O,CC(C)=CCC(CO)C(C)=C,"InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3",CZVXBFUKBZRMKR,UHFFFAOYSA,N,(R)-Lavandulol,CZVXBFUKBZRMKR-UHFFFAOYSA-N
HMDB36042,166.099379692,C10H14O2,CC1CC(OC1=O)\C=C/C(C)=C,"InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4-",VOJBXZDIFIJUKD,PLNGDYQASA,N,Marmelolactone A,VOJBXZDIFIJUKD-PLNGDYQASA-N
HMDB36043,264.136159128,C15H20O4,CC1(C)C2CC=C3COC4OC(O)C2(CCC1=O)C34,"InChI=1S/C15H20O4/c1-14(2)9-4-3-8-7-18-12-11(8)15(9,13(17)19-12)6-5-10(14)16/h3,9,11-13,17H,4-7H2,1-2H3",HFEYLLLUTJYNMH,UHFFFAOYSA,N,15-Hydroxymarasmen-3-one,HFEYLLLUTJYNMH-UHFFFAOYSA-N
HMDB36044,152.120115134,C10H16O,CC1COC(C1)\C=C/C(C)=C,"InChI=1S/C10H16O/c1-8(2)4-5-10-6-9(3)7-11-10/h4-5,9-10H,1,6-7H2,2-3H3/b5-4-",SULWOTZUSYCRIP,PLNGDYQASA,N,Marmelo oxide A,SULWOTZUSYCRIP-PLNGDYQASA-N
HMDB36045,264.136159128,C15H20O4,CC1(C)CCC(=O)C2C3C(OC=O)OCC3=CCC12,"InChI=1S/C15H20O4/c1-15(2)6-5-11(17)13-10(15)4-3-9-7-18-14(12(9)13)19-8-16/h3,8,10,12-14H,4-7H2,1-2H3",MIBOGOAYMHICPV,UHFFFAOYSA,N,O-Formyloreadone,MIBOGOAYMHICPV-UHFFFAOYSA-N
HMDB36046,234.125594442,C14H18O3,CC1(C)C=CC(=O)C2C3C(O)OCC3=CCC12,"InChI=1S/C14H18O3/c1-14(2)6-5-10(15)12-9(14)4-3-8-7-17-13(16)11(8)12/h3,5-6,9,11-13,16H,4,7H2,1-2H3",RBUVATMDYDGAJH,UHFFFAOYSA,N,Dehydrooreadone,RBUVATMDYDGAJH-UHFFFAOYSA-N
HMDB36047,252.136159128,C14H20O4,CC1(C)C(O)CC(=O)C2C3C(O)OCC3=CCC12,"InChI=1S/C14H20O4/c1-14(2)8-4-3-7-6-18-13(17)11(7)12(8)9(15)5-10(14)16/h3,8,10-13,16-17H,4-6H2,1-2H3",QWJVXAZUVABFEO,UHFFFAOYSA,N,3alpha-Hydroxyoreadone,QWJVXAZUVABFEO-UHFFFAOYSA-N
HMDB36048,196.146329884,C12H20O2,CC(C)=CC(OC(C)=O)C(C)(C)C=C,"InChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3",NGIKFWJEQGLTBM,UHFFFAOYSA,N,Artemisia alcohol acetate,NGIKFWJEQGLTBM-UHFFFAOYSA-N
HMDB36049,278.115423686,C15H18O5,CC1(C)C(O)CC(=O)C23C4C(OCC4=CCC12)OC3=O,"InChI=1S/C15H18O5/c1-14(2)8-4-3-7-6-19-12-11(7)15(8,13(18)20-12)10(17)5-9(14)16/h3,8-9,11-12,16H,4-6H2,1-2H3",GXDBSAJFXBTPQJ,UHFFFAOYSA,N,Marasmone,GXDBSAJFXBTPQJ-UHFFFAOYSA-N
HMDB36050,260.104859,C15H16O4,CC1(C)C=CC(=O)C23C4C(OCC4=CCC12)OC3=O,"InChI=1S/C15H16O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,5-6,9,11-12H,4,7H2,1-2H3",CJZUKWREGMGONS,UHFFFAOYSA,N,Anhydromarasmone,CJZUKWREGMGONS-UHFFFAOYSA-N
HMDB36051,280.13107375,C15H20O5,CC1(C)C(O)CC(O)C23C4C(OCC4=CCC12)OC3=O,"InChI=1S/C15H20O5/c1-14(2)8-4-3-7-6-19-12-11(7)15(8,13(18)20-12)10(17)5-9(14)16/h3,8-12,16-17H,4-6H2,1-2H3",OWJATCNSNAVKNO,UHFFFAOYSA,N,Dihydromarasmone,OWJATCNSNAVKNO-UHFFFAOYSA-N
HMDB36052,278.115423686,C15H18O5,CC1(C)C2CC=C3COC4OC(=O)C2(C34)C(O)CC1=O,"InChI=1S/C15H18O5/c1-14(2)8-4-3-7-6-19-12-11(7)15(8,13(18)20-12)10(17)5-9(14)16/h3,8,10-12,17H,4-6H2,1-2H3",UUOCODHGILANAP,UHFFFAOYSA,N,Isomarasmone,UUOCODHGILANAP-UHFFFAOYSA-N
HMDB36053,254.188194698,C15H26O3,CC1(C)C(O)CCC2(C)C(CO)C(CO)=CCC12,"InChI=1S/C15H26O3/c1-14(2)12-5-4-10(8-16)11(9-17)15(12,3)7-6-13(14)18/h4,11-13,16-18H,5-9H2,1-3H3",FLJVCTAWIDPKTG,UHFFFAOYSA,N,"(3beta,9beta)-7-Drimene-3,11,12-triol",FLJVCTAWIDPKTG-UHFFFAOYSA-N
HMDB36054,368.271530396,C25H36O2,C\C(CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11-",XVQDCCGQSOTQBN,RXCALXPUSA,N,"12'-Apo-b-carotene-3,12'-diol",XVQDCCGQSOTQBN-RXCALXPUSA-N
HMDB36055,208.073558872,C11H12O4,COC1=C2OC(C)CC2=CC2=C1OCO2,"InChI=1S/C11H12O4/c1-6-3-7-4-8-10(14-5-13-8)11(12-2)9(7)15-6/h4,6H,3,5H2,1-2H3",QHNWPNSDEURBAD,UHFFFAOYSA,N,Furapiole,QHNWPNSDEURBAD-UHFFFAOYSA-N
HMDB36056,442.381080844,C30H50O2,CC(CC\C=C(/C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C30H50O2/c1-20(18-31)8-7-9-21(2)22-12-14-28(6)24-11-10-23-26(3,4)25(32)13-15-29(23)19-30(24,29)17-16-27(22,28)5/h8,21-25,31-32H,7,9-19H2,1-6H3/b20-8+",KHRXLABAHCIXIJ,DNTJNYDQSA,N,Mangiferadiol,KHRXLABAHCIXIJ-DNTJNYDQSA-N
HMDB36057,95.037113787,C5H5NO,O=CC1=CC=CN1,"InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H",ZSKGQVFRTSEPJT,UHFFFAOYSA,N,1H-Pyrrole-2-carboxaldehyde,ZSKGQVFRTSEPJT-UHFFFAOYSA-N
HMDB36058,123.068413915,C7H9NO,CCN1C=CC=C1C=O,"InChI=1S/C7H9NO/c1-2-8-5-3-4-7(8)6-9/h3-6H,2H2,1H3",DVLGEHCERRWDIX,UHFFFAOYSA,N,1-Ethyl-1H-pyrrole-2-carboxaldehyde,DVLGEHCERRWDIX-UHFFFAOYSA-N
HMDB36059,512.277403634,C30H40O7,CC(CC(=O)\C=C(\C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O,"InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21,32H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-",JGWQYLZHPPFHEH,GDNBJRDFSA,N,Ganoderenic acid D,JGWQYLZHPPFHEH-GDNBJRDFSA-N
HMDB36060,604.433904274,C36H60O7,COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12,"InChI=1S/C36H60O7/c1-20(2)11-10-12-21(3)28-24(37)18-36(8)31-26(41-9)17-23-22(34(31,6)15-16-35(28,36)7)13-14-27(33(23,4)5)43-32-30(40)29(39)25(38)19-42-32/h11,17,21-22,24-32,37-40H,10,12-16,18-19H2,1-9H3",AKDNVAKNWZMAKY,UHFFFAOYSA,N,Hebevinoside IV,AKDNVAKNWZMAKY-UHFFFAOYSA-N
HMDB36061,150.10446507,C10H14O,CC1=C(C=O)C(C)(C)CC=C1,"InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3",SGAWOGXMMPSZPB,UHFFFAOYSA,N,Safranal,SGAWOGXMMPSZPB-UHFFFAOYSA-N
HMDB36062,590.433510344,C39H58O4,COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O,"InChI=1S/C39H58O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26H,11-15,17,19,21,23,25,27H2,1-10H3",GXNFPEOUKFOTKY,UHFFFAOYSA,N,Ubiquinone 6,GXNFPEOUKFOTKY-UHFFFAOYSA-N
HMDB36063,472.355260024,C30H48O4,CC(C(O)C\C=C(\C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C30H48O4/c1-18(25(33)34)7-8-21(31)19(2)20-11-13-28(6)23-10-9-22-26(3,4)24(32)12-14-29(22)17-30(23,29)16-15-27(20,28)5/h7,19-24,31-32H,8-17H2,1-6H3,(H,33,34)/b18-7-",WCKMOTWOWWZGCU,WSVATBPTSA,N,"(3b,22S,24E)-3,22-Dihydroxycycloart-24-en-26-oic acid",WCKMOTWOWWZGCU-WSVATBPTSA-N
HMDB36064,472.355260024,C30H48O4,CC(CC\C=C(\CO)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C30H48O4/c1-19(7-6-8-20(17-31)25(33)34)21-11-13-28(5)23-10-9-22-26(2,3)24(32)12-14-29(22)18-30(23,29)16-15-27(21,28)4/h8,19,21-24,31-32H,6-7,9-18H2,1-5H3,(H,33,34)/b20-8-",YWPLTMNXKKXXII,ZBKNUEDVSA,N,27-Hydroxyisomangiferolic acid,YWPLTMNXKKXXII-ZBKNUEDVSA-N
HMDB36065,204.187800768,C15H24,CC(C)=CCC\C(C)=C/C\C=C(/C)C=C,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12-",CXENHBSYCFFKJS,DZKMRSEMSA,N,alpha-Farnesene,CXENHBSYCFFKJS-DZKMRSEMSA-N
HMDB36066,204.187800768,C15H24,CC(C)=CCC\C(C)=C\C\C=C(/C)C=C,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+",CXENHBSYCFFKJS,VDQVFBMKSA,N,"(3E,6E)-alpha-Farnesene",CXENHBSYCFFKJS-VDQVFBMKSA-N
HMDB36067,168.115029756,C10H16O2,CC12OC1CC(CC=O)C2(C)C,"InChI=1S/C10H16O2/c1-9(2)7(4-5-11)6-8-10(9,3)12-8/h5,7-8H,4,6H2,1-3H3",OSNRGQATWCHICL,UHFFFAOYSA,N,Epoxycampholenic aldehyde,OSNRGQATWCHICL-UHFFFAOYSA-N
HMDB36068,154.135765198,C10H18O,CC1=CCC(CCO)C1(C)C,"InChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3",NPGPPCSBEMHHCR,UHFFFAOYSA,N,Campholenic alcohol,NPGPPCSBEMHHCR-UHFFFAOYSA-N
HMDB36069,138.10446507,C9H14O,CC(C)C1=CCC(C)C1=O,"InChI=1S/C9H14O/c1-6(2)8-5-4-7(3)9(8)10/h5-7H,4H2,1-3H3",JSIJNCSVIGPGDV,UHFFFAOYSA,N,Pulegenone,JSIJNCSVIGPGDV-UHFFFAOYSA-N
HMDB36070,150.10446507,C10H14O,CC(=C)C1CC=C(C1)C(C)=O,"InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3",BTXSVMBTNJSALB,UHFFFAOYSA,N,1-Acetyl-4-isopropenylcyclopentene,BTXSVMBTNJSALB-UHFFFAOYSA-N
HMDB36071,218.167065326,C15H22O,CC(C)=CCC\C(C)=C\CCC1=COC=C1,"InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+",LZBXPXAOYQVZEC,RIYZIHGNSA,N,Dendrolasin,LZBXPXAOYQVZEC-RIYZIHGNSA-N
HMDB36072,184.073558872,C9H12O4,OC1OCC2=C1C(CC(O)=O)CC2,"InChI=1S/C9H12O4/c10-7(11)3-5-1-2-6-4-13-9(12)8(5)6/h5,9,12H,1-4H2,(H,10,11)",KWBASGHXHPTPGU,UHFFFAOYSA,N,Genipic acid,KWBASGHXHPTPGU-UHFFFAOYSA-N
HMDB36073,160.0524295,C10H8O2,CC1=COC=C2C(C=O)=CC=C12,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",IHEBZQKYPSMVBZ,UHFFFAOYSA,N,Viburtinal,IHEBZQKYPSMVBZ-UHFFFAOYSA-N
HMDB36074,197.105193351,C10H15NO3,CCC(C)C1NC(=O)C(C(C)=O)=C1O,"InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)",CEIZFXOZIQNICU,UHFFFAOYSA,N,Tenuazonic acid,CEIZFXOZIQNICU-UHFFFAOYSA-N
HMDB36075,502.18389718,C26H30O10,CC1(C)OC2CC(=O)OCC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=CC(=O)OC1O,"InChI=1S/C26H30O10/c1-22(2)13-8-14(27)24(4)12(25(13)10-32-16(28)9-15(25)35-22)5-6-23(3)18(11-7-17(29)33-20(11)30)34-21(31)19-26(23,24)36-19/h7,12-13,15,18-20,30H,5-6,8-10H2,1-4H3",RTPPVNISJHFPFX,UHFFFAOYSA,N,Limonexic acid,RTPPVNISJHFPFX-UHFFFAOYSA-N
HMDB36076,136.125200512,C10H16,CC(C)[C@]12C[C@H]1C(=C)CC2,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1",NDVASEGYNIMXJL,UWVGGRQHSA,N,(+)-4(10)-Thujene,NDVASEGYNIMXJL-UWVGGRQHSA-N
HMDB36077,154.135765198,C10H18O,CC1CCC(C(O)C1)C(C)=C,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3",ZYTMANIQRDEHIO,UHFFFAOYSA,N,p-Menth-8-en-3-ol,ZYTMANIQRDEHIO-UHFFFAOYSA-N
HMDB36078,154.135765198,C10H18O,C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1",ZYTMANIQRDEHIO,KXUCPTDWSA,N,(-)-Isopulegol,ZYTMANIQRDEHIO-KXUCPTDWSA-N
HMDB36079,152.120115134,C10H16O,CC1CCC(CC1=O)C(C)=C,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3",AZOCECCLWFDTAP,UHFFFAOYSA,N,Dihydrocarvone,AZOCECCLWFDTAP-UHFFFAOYSA-N
HMDB36080,152.120115134,C10H16O,C[C@H]1CC[C@@H](CC1=O)C(C)=C,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",AZOCECCLWFDTAP,IUCAKERBSA,N,"(1S,4S)-Dihydrocarvone",AZOCECCLWFDTAP-IUCAKERBSA-N
HMDB36081,136.125200515,C10H16,CC(C)C1CCC(=C)C=C1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3",LFJQCDVYDGGFCH,UHFFFAOYSA,N,beta-Phellandrene,LFJQCDVYDGGFCH-UHFFFAOYSA-N
HMDB36082,152.120115134,C10H16O,CC(=C)[C@@H]1CC=C(C)[C@H](O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m1/s1",BAVONGHXFVOKBV,NXEZZACHSA,N,(-)-cis-Carveol,BAVONGHXFVOKBV-NXEZZACHSA-N
HMDB36083,152.120115135,C10H16O,CC(=C)C1CC=C(C)C(O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",BAVONGHXFVOKBV,UHFFFAOYSA,N,Carveol,BAVONGHXFVOKBV-UHFFFAOYSA-N
HMDB36084,166.099379692,C10H14O2,CC1CCC2=C(C)C(=O)OC2C1,"InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3",VUVQBYIJRDUVHT,UHFFFAOYSA,N,Isomintlactone,VUVQBYIJRDUVHT-UHFFFAOYSA-N
HMDB36085,152.120115134,C10H16O,CC1(C)OC2(C)CCC1C=C2,"InChI=1S/C10H16O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h4,6,8H,5,7H2,1-3H3",LOOYOTLEOHYYOV,UHFFFAOYSA,N,"Dehydro-1,8-cineole",LOOYOTLEOHYYOV-UHFFFAOYSA-N
HMDB36086,154.135765198,C10H18O,CC1=CC[C@@H](CC1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1",WUOACPNHFRMFPN,VIFPVBQESA,N,(S)-alpha-Terpineol,WUOACPNHFRMFPN-VIFPVBQESA-N
HMDB36087,152.120115134,C10H16O,CC(=C)[C@@H]1CCC(CO)=CC1,"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m0/s1",NDTYTMIUWGWIMO,JTQLQIEISA,N,"(R)-p-Mentha-1,8-dien-7-ol",NDTYTMIUWGWIMO-JTQLQIEISA-N
HMDB36088,152.120115134,C10H16O,CC(=C)[C@@H]1CCC(CO)=CC1,"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m0/s1",NDTYTMIUWGWIMO,JTQLQIEISA,N,"(S)-p-Mentha-1,8-dien-7-ol",NDTYTMIUWGWIMO-JTQLQIEISA-N
HMDB36089,150.10446507,C10H14O,CC1CCC2=C(C1)OC=C2C,"InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3",YGWKXXYGDYYFJU,UHFFFAOYSA,N,(R)-Menthofuran,YGWKXXYGDYYFJU-UHFFFAOYSA-N
HMDB36090,181.110278729,C10H15NO2,[H][C@@]1(CC(=C(C)C=C1)N(=O)=O)C(C)C,"InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-5,7,9H,6H2,1-3H3/t9-/m1/s1",RIPRCNJJZGOFLC,SECBINFHSA,N,"(R)-2-Nitro-p-mentha-1,5-diene",RIPRCNJJZGOFLC-SECBINFHSA-N
HMDB36091,138.10446507,C9H14O,CC1=C(C)C2CC1CC2O,"InChI=1S/C9H14O/c1-5-6(2)8-3-7(5)4-9(8)10/h7-10H,3-4H2,1-2H3",BRMSNMZILBBMIX,UHFFFAOYSA,N,"exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol",BRMSNMZILBBMIX-UHFFFAOYSA-N
HMDB36092,138.10446507,C9H14O,CC1(O)C2CCC(C2)C1=C,"InChI=1S/C9H14O/c1-6-7-3-4-8(5-7)9(6,2)10/h7-8,10H,1,3-5H2,2H3",RZEAOYIZHBELOJ,UHFFFAOYSA,N,exo-2-Methyl-3-methylenebicyclo[2.2.1]heptan-2-ol,RZEAOYIZHBELOJ-UHFFFAOYSA-N
HMDB36093,264.136159128,C15H20O4,C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+",JLIDBLDQVAYHNE,WEYXYWBQSA,N,Abscisic acid,JLIDBLDQVAYHNE-WEYXYWBQSA-N
HMDB36094,280.13107375,C15H20O5,C\C(\C=C\C1(O)C(CO)=CC(=O)CC1(C)C)=C/C(O)=O,"InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+",ZGHRCSAIMSBFLK,UMCKCUICSA,N,Nigellic acid,ZGHRCSAIMSBFLK-UMCKCUICSA-N
HMDB36095,280.13107375,C15H20O5,C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)CO)=C/C(O)=O,"InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+",AVFORCKFTWHFAR,UMCKCUICSA,N,13-Hydroxyabscisic acid,AVFORCKFTWHFAR-UMCKCUICSA-N
HMDB36096,154.135765198,C10H18O,CC(C)C12CCC(C)(CC1)O2,"InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3",RFFOTVCVTJUTAD,UHFFFAOYSA,N,"1,4-Cineole",RFFOTVCVTJUTAD-UHFFFAOYSA-N
HMDB36097,154.135765198,C10H18O,CC1CCOC(C1)C=C(C)C,"InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3",CZCBTSFUTPZVKJ,UHFFFAOYSA,N,Rose oxide,CZCBTSFUTPZVKJ-UHFFFAOYSA-N
HMDB36098,164.083729628,C10H12O2,CC(C)\C=C\C(=O)C1=COC=C1,"InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h3-8H,1-2H3/b4-3+",XEYCZVQIOJGCNL,ONEGZZNKSA,N,Isoegomaketone,XEYCZVQIOJGCNL-ONEGZZNKSA-N
HMDB36099,170.13067982,C10H18O2,CC(CO)C1CCC(C)(O1)C=C,"InChI=1S/C10H18O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3",VUEGXHXUMOZKKN,UHFFFAOYSA,N,Lilac alcohol,VUEGXHXUMOZKKN-UHFFFAOYSA-N
HMDB36100,154.1357652,C10H18O,CC(C)=CCCC(C)(O)C=C,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",CDOSHBSSFJOMGT,UHFFFAOYSA,N,"3,7-Dimethyl-1,6-octadien-3-ol",CDOSHBSSFJOMGT-UHFFFAOYSA-N
HMDB36101,154.135765198,C10H18O,CC(C)=CCC[C@](C)(O)C=C,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1",CDOSHBSSFJOMGT,SNVBAGLBSA,N,"(R)-3,7-Dimethyl-1,6-octadien-3-ol",CDOSHBSSFJOMGT-SNVBAGLBSA-N
HMDB36102,154.135765198,C10H18O,CC(C)=CCC[C@](C)(O)C=C,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1",CDOSHBSSFJOMGT,SNVBAGLBSA,N,D-Linalool,CDOSHBSSFJOMGT-SNVBAGLBSA-N
HMDB36103,168.115029756,C10H16O2,CC(C)=CCCC(C)=CC(O)=O,"InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)",ZHYZQXUYZJNEHD,UHFFFAOYSA,N,Geranic acid,ZHYZQXUYZJNEHD-UHFFFAOYSA-N
HMDB36104,136.125200512,C10H16,CC(=C)CC\C=C(\C)C=C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8-",XJPBRODHZKDRCB,NTMALXAHSA,N,"(Z)-3,7-Dimethyl-1,3,7-octatriene",XJPBRODHZKDRCB-NTMALXAHSA-N
HMDB36105,624.26293536,C27H44O16,CC(C)CC(=O)OC1OC=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2CC(O)C(CO)C12,"InChI=1S/C27H44O16/c1-10(2)3-17(31)43-25-18-12(4-14(30)13(18)5-28)11(7-38-25)8-39-26-24(37)22(35)20(33)16(42-26)9-40-27-23(36)21(34)19(32)15(6-29)41-27/h7,10,12-16,18-30,32-37H,3-6,8-9H2,1-2H3",AKTRFOPOAKDICT,UHFFFAOYSA,N,Kanokoside D,AKTRFOPOAKDICT-UHFFFAOYSA-N
HMDB36106,170.112921266,C10H18S,CC(C)=CCC\C(C)=C/CS,"InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-",FACAUSJJVBMWLV,YFHOEESVSA,N,Thiogeraniol,FACAUSJJVBMWLV-YFHOEESVSA-N
HMDB36107,154.135765198,C10H18O,CC(C)(O)CCCC(=C)C=C,"InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,1-2,6-8H2,3-4H3",DUNCVNHORHNONW,UHFFFAOYSA,N,Myrcenol,DUNCVNHORHNONW-UHFFFAOYSA-N
HMDB36108,216.151415262,C15H20O,CC(CCC(=O)C(C)=C)C1=CC=C(C)C=C1,"InChI=1S/C15H20O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5-6,8-9,13H,1,7,10H2,2-4H3",JVRYIUOXNFDSNU,UHFFFAOYSA,N,"1,3,5,11-Bisabolatetraen-10-one",JVRYIUOXNFDSNU-UHFFFAOYSA-N
HMDB36109,218.167065326,C15H22O,CC(C)C(=O)CCC(C)C1=CC=C(C)C=C1,"InChI=1S/C15H22O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5-6,8-9,11,13H,7,10H2,1-4H3",UWAKTEDKARQVDV,UHFFFAOYSA,N,"1,3,5-Bisabolatrien-10-one",UWAKTEDKARQVDV-UHFFFAOYSA-N
HMDB36110,232.146329884,C15H20O2,CC(C)CC1=CC(=CO1)C1CC=C(C)C(=O)C1,"InChI=1S/C15H20O2/c1-10(2)6-14-7-13(9-17-14)12-5-4-11(3)15(16)8-12/h4,7,9-10,12H,5-6,8H2,1-3H3",ORQIZUYAGXZVPI,UHFFFAOYSA,N,(S)-Bilobanone,ORQIZUYAGXZVPI-UHFFFAOYSA-N
HMDB36111,222.198365454,C15H26O,C[C@@H](CCC=C(C)C)[C@]1(O)CCC(C)=CC1,"InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15+/m0/s1",WTVHAMTYZJGJLJ,LSDHHAIUSA,N,beta-Bisabolol,WTVHAMTYZJGJLJ-LSDHHAIUSA-N
HMDB36112,154.135765198,C10H18O,CC(C)[C@@]12C[C@H]1[C@@](C)(O)CC2,"InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10?/m0/s1",KXSDPILWMGFJMM,XMCUXHSSSA,N,"(1R,4S,5R)-4-Thujanol",KXSDPILWMGFJMM-XMCUXHSSSA-N
HMDB36113,152.120115134,C10H16O,CC(C)[C@@]12C[C@@H]1[C@H](C)C(=O)C2,"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1",USMNOWBWPHYOEA,XKSSXDPKSA,N,(+)-3-Thujone,USMNOWBWPHYOEA-XKSSXDPKSA-N
HMDB36114,152.120115134,C10H16O,CC(C)[C@]12C[C@H]1[C@@H](C)C(=O)C2,"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m1/s1",USMNOWBWPHYOEA,KHQFGBGNSA,N,(-)-3-Thujone,USMNOWBWPHYOEA-KHQFGBGNSA-N
HMDB36115,152.120115134,C10H16O,CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2,"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1",USMNOWBWPHYOEA,MRTMQBJTSA,N,(-)-3-Isothujone,USMNOWBWPHYOEA-MRTMQBJTSA-N
HMDB36116,136.125200512,C10H16,CC(C)C12CC1C(C)=CC2,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3",KQAZVFVOEIRWHN,UHFFFAOYSA,N,(-)-3-Thujene,KQAZVFVOEIRWHN-UHFFFAOYSA-N
HMDB36117,184.109944378,C10H16O3,CC(C=O)C1CCC(C)C1C(O)=O,"InChI=1S/C10H16O3/c1-6-3-4-8(7(2)5-11)9(6)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13)",RGTMAXSVLBZNEL,UHFFFAOYSA,N,(1'R)-Nepetalic acid,RGTMAXSVLBZNEL-UHFFFAOYSA-N
HMDB36118,220.18271539,C15H24O,C\C1=C\CCC(C=O)C2CC(C)(C)C2CC1,"InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)13-9-15(2,3)14(13)8-7-11/h5,10,12-14H,4,6-9H2,1-3H3/b11-5-",VLWNRFXSKLVVEB,WZUFQYTHSA,N,"(3S,6E)-6-Caryophyllen-15-al",VLWNRFXSKLVVEB-WZUFQYTHSA-N
HMDB36119,232.146329884,C15H20O2,CC1=C2CC3C(CC2(C)CCC1)OC(=O)C3=C,"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11,13H,2,4-8H2,1,3H3",OTDVFDVEFZSECW,UHFFFAOYSA,N,Alloalantolactone,OTDVFDVEFZSECW-UHFFFAOYSA-N
HMDB36120,478.111126168,C22H22O12,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C22H22O12/c1-31-12-4-8(21-19(29)17(27)15-10(25)5-9(24)6-13(15)32-21)2-3-11(12)33-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3",VTDBDVABTGGRMO,UHFFFAOYSA,N,Alliumoside A,VTDBDVABTGGRMO-UHFFFAOYSA-N
HMDB36121,526.168641046,C24H30O13,C\C=C1/C(OC2OC(CO)C(O)C(O)C2O)OC=C(C1CC(=O)OCCC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2-",HKVGJQVJNQRJPO,OIXVIMQBSA,N,Demethyloleuropein,HKVGJQVJNQRJPO-OIXVIMQBSA-N
HMDB36122,458.251582814,C23H38O9,CCCCCC(O)CC(O)CCC1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C23H38O9/c1-3-4-5-6-15(25)12-16(26)9-7-14-8-10-17(18(11-14)30-2)31-23-22(29)21(28)20(27)19(13-24)32-23/h8,10-11,15-16,19-29H,3-7,9,12-13H2,1-2H3",NIZBVVCYJIIIMW,UHFFFAOYSA,N,[6]-Gingerdiol 4'-O-beta-D-glucopyranoside,NIZBVVCYJIIIMW-UHFFFAOYSA-N
HMDB36123,458.251582814,C23H38O9,CCCCCC(CC(O)CCC1=CC(OC)=C(O)C=C1)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C23H38O9/c1-3-4-5-6-16(31-23-22(29)21(28)20(27)19(13-24)32-23)12-15(25)9-7-14-8-10-17(26)18(11-14)30-2/h8,10-11,15-16,19-29H,3-7,9,12-13H2,1-2H3",IJSYHUFAWPXPKA,UHFFFAOYSA,N,[6]-Gingerdiol 5-O-beta-D-glucopyranoside,IJSYHUFAWPXPKA-UHFFFAOYSA-N
HMDB36125,264.136159128,C15H20O4,CC1=C2CC3C(C)=CCC(O)C3(C)CC2(O)OC1=O,"InChI=1S/C15H20O4/c1-8-4-5-12(16)14(3)7-15(18)11(6-10(8)14)9(2)13(17)19-15/h4,10,12,16,18H,5-7H2,1-3H3",OHYLFUASNKOIGF,UHFFFAOYSA,N,"(1beta,8beta)-1,8-Dihydroxy-3,7(11)-eudesmadien-12,8-olide",OHYLFUASNKOIGF-UHFFFAOYSA-N
HMDB36126,154.135765198,C10H18O,C[C@@H]1[C@@H]2C[C@H](C[C@H]1O)C2(C)C,"InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1",REPVLJRCJUVQFA,LURQLKTLSA,N,(-)-Pinocampheol,REPVLJRCJUVQFA-LURQLKTLSA-N
HMDB36127,152.120115134,C10H16O,C[C@@H]1[C@@H]2C[C@H](CC1=O)C2(C)C,"InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1",MQPHVIPKLRXGDJ,PRJMDXOYSA,N,(-)-Pinocamphone,MQPHVIPKLRXGDJ-PRJMDXOYSA-N
HMDB36128,152.120115134,C10H16O,CC1(C)[C@@H]2C[C@H]1C(=C)[C@@H](O)C2,"InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9+/m1/s1",LCYXQUJDODZYIJ,VGMNWLOBSA,N,(-)-trans-Pinocarveol,LCYXQUJDODZYIJ-VGMNWLOBSA-N
HMDB36129,152.120115135,C10H16O,CC1=CC(O)C2CC1C2(C)C,"InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3",WONIGEXYPVIKFS,UHFFFAOYSA,N,Verbenol,WONIGEXYPVIKFS-UHFFFAOYSA-N
HMDB36130,264.136159128,C15H20O4,CC1C2CCC3(C)C(C2OC1=O)C(C)(O)C=CC3=O,"InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3",NGPDZEACIWDCKX,UHFFFAOYSA,N,Vulgarin,NGPDZEACIWDCKX-UHFFFAOYSA-N
HMDB36131,432.197044824,C24H32O5S,CS\C=C\C(=O)OC1CCC2CC3=C(C(OC(=O)C(\C)=C\C)C2(C)C1C)C(C)=CO3,"InChI=1S/C24H32O5S/c1-7-14(2)23(26)29-22-21-15(3)13-27-19(21)12-17-8-9-18(16(4)24(17,22)5)28-20(25)10-11-30-6/h7,10-11,13,16-18,22H,8-9,12H2,1-6H3/b11-10+,14-7+",DZIJJEZRPMYRRP,QFPWAJRASA,N,S-Furanopetasitin,DZIJJEZRPMYRRP-QFPWAJRASA-N
HMDB36132,150.115698458,C9H14N2,CCC1=NC(C)=C(CC)N=C1,"InChI=1S/C9H14N2/c1-4-8-6-10-9(5-2)7(3)11-8/h6H,4-5H2,1-3H3",RJIREWQSLPRZFG,UHFFFAOYSA,N,"2,5-Diethyl-3-methylpyrazine",RJIREWQSLPRZFG-UHFFFAOYSA-N
HMDB36133,230.188194698,C13H26O3,CC(C)C1CCC(C)CC1OCC(O)CO,"InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3",MDVYIGJINBYKOM,UHFFFAOYSA,N,"3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol",MDVYIGJINBYKOM-UHFFFAOYSA-N
HMDB36134,198.071450382,C10H14O2S,CC(CC(C)=O)SCC1=CC=CO1,"InChI=1S/C10H14O2S/c1-8(11)6-9(2)13-7-10-4-3-5-12-10/h3-5,9H,6-7H2,1-2H3",IUNKNKANRUMCNL,UHFFFAOYSA,N,4-[(2-Furanylmethyl)thio]-2-pentanone,IUNKNKANRUMCNL-UHFFFAOYSA-N
HMDB36135,264.136159128,C15H20O4,CC1=C2C3OC(=O)C(=C)C3CCC2(C)C(O)CC1O,"InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9-11,13,16-17H,1,4-6H2,2-3H3",VRHFGDDYTIJYIX,UHFFFAOYSA,N,3-Epiarmefolin,VRHFGDDYTIJYIX-UHFFFAOYSA-N
HMDB36136,172.146329884,C10H20O2,CCCCC(CC)CCC(O)=O,"InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",PWKJMPFEQOHBAC,UHFFFAOYSA,N,4-Ethyloctanoic acid,PWKJMPFEQOHBAC-UHFFFAOYSA-N
HMDB36137,338.136553058,C17H22O7,CC(=O)OC1CC2(C)C3(CO3)C1OC1C=C(C)C(=O)C(O)C21CO,"InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3",ADFIQZBYNGPCGY,UHFFFAOYSA,N,Acetyldeoxynivalenol,ADFIQZBYNGPCGY-UHFFFAOYSA-N
HMDB36138,118.045235632,C5H10OS,CC1OCCC1S,"InChI=1S/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3",DBPHPBLAKVZXOY,UHFFFAOYSA,N,Tetrahydro-2-methyl-3-furanthiol,DBPHPBLAKVZXOY-UHFFFAOYSA-N
HMDB36139,228.172544634,C13H24O3,CC(C)C1CCC(C)CC11OCC(CO)O1,"InChI=1S/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-8-11(7-14)16-13/h9-12,14H,4-8H2,1-3H3",ZBJCYZPANVLBRK,UHFFFAOYSA,N,"Menthone 1,2-glyceryl ketal",ZBJCYZPANVLBRK-UHFFFAOYSA-N
HMDB36140,184.146329884,C11H20O2,CCCCCCC1(C)CCC(=O)O1,"InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3",ALWUKGXLBSQSMA,UHFFFAOYSA,N,5-Hexyldihydro-5-methyl-2(3H)-furanone,ALWUKGXLBSQSMA-UHFFFAOYSA-N
HMDB36141,244.167459256,C13H24O4,CC(C)C1CCC(C)CC1OC(=O)OCCO,"InChI=1S/C13H24O4/c1-9(2)11-5-4-10(3)8-12(11)17-13(15)16-7-6-14/h9-12,14H,4-8H2,1-3H3",JFKCVAZSEWPOIX,UHFFFAOYSA,N,Menthyl ethylene glycol carbonate,JFKCVAZSEWPOIX-UHFFFAOYSA-N
HMDB36142,148.100048394,C9H12N2,CC1=NC2=C(CCC2)N=C1C,"InChI=1S/C9H12N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h3-5H2,1-2H3",AIKNQWWUQFXNAZ,UHFFFAOYSA,N,"6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine",AIKNQWWUQFXNAZ-UHFFFAOYSA-N
HMDB36143,256.167459256,C14H24O4,CC(C)C1CCC(C)CC1OC(=O)CCC(O)=O,"InChI=1S/C14H24O4/c1-9(2)11-5-4-10(3)8-12(11)18-14(17)7-6-13(15)16/h9-12H,4-8H2,1-3H3,(H,15,16)",BLILOGGUTRWFNI,UHFFFAOYSA,N,Monomenthyl succinate,BLILOGGUTRWFNI-UHFFFAOYSA-N
HMDB36144,192.151415262,C13H20O,CC1=CC=C2C(C)(C)CCCC2(C)O1,"InChI=1S/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h6-7H,5,8-9H2,1-4H3",KYOSLSFHZKIUEM,UHFFFAOYSA,N,Cycloionone,KYOSLSFHZKIUEM-UHFFFAOYSA-N
HMDB36145,172.146329884,C10H20O2,CC1CCC(C(O)C1)C(C)(C)O,"InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3",LMXFTMYMHGYJEI,UHFFFAOYSA,N,"p-Menthane-3,8-diol",LMXFTMYMHGYJEI-UHFFFAOYSA-N
HMDB36146,332.198759384,C20H28O4,C\C=C(/C)C(=O)OC1C2=C(CC3CCC(O)C(C)C13C)OC=C2C,"InChI=1S/C20H28O4/c1-6-11(2)19(22)24-18-17-12(3)10-23-16(17)9-14-7-8-15(21)13(4)20(14,18)5/h6,10,13-15,18,21H,7-9H2,1-5H3/b11-6+",QSXNOUPYXMWUKT,IZZDOVSWSA,N,6-Angeloylfuranofukinol,QSXNOUPYXMWUKT-IZZDOVSWSA-N
HMDB36147,316.203844762,C20H28O3,C\C=C(/C)C(=O)OC1CC(C)C2(C)CC3=C(CC2C1)OC=C3C,"InChI=1S/C20H28O3/c1-6-12(2)19(21)23-16-7-14(4)20(5)10-17-13(3)11-22-18(17)9-15(20)8-16/h6,11,14-16H,7-10H2,1-5H3/b12-6+",DDJITDJHDCLHOK,WUXMJOGZSA,N,Furanojaponin,DDJITDJHDCLHOK-WUXMJOGZSA-N
HMDB36148,232.146329884,C15H20O2,CC1CCC(=O)C2CC3=C(CC12C)C(C)=CO3,"InChI=1S/C15H20O2/c1-9-8-17-14-6-12-13(16)5-4-10(2)15(12,3)7-11(9)14/h8,10,12H,4-7H2,1-3H3",MHEQQQWHNMVBFL,UHFFFAOYSA,N,Furoeremophilone 1,MHEQQQWHNMVBFL-UHFFFAOYSA-N
HMDB36149,120.060885696,C5H12OS,CC(C)(S)CCO,"InChI=1S/C5H12OS/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3",GBCGIJAYTBMFHI,UHFFFAOYSA,N,3-Mercapto-3-methyl-1-butanol,GBCGIJAYTBMFHI-UHFFFAOYSA-N
HMDB36150,268.167459256,C15H24O4,[H][C@@]12[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]1(C)[C@H](O)C[C@H](O)[C@@H]2C,"InChI=1S/C15H24O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7-13,16-17H,4-6H2,1-3H3/t7-,8-,9-,10-,11+,12+,13-,15-/m0/s1",GAPZIAIPNAGPQZ,UIUPBXLSSA,N,"4,11,13,15-Tetrahydroridentin B",GAPZIAIPNAGPQZ-UIUPBXLSSA-N
HMDB36151,266.151809192,C15H22O4,CC1C2C(OC1=O)C1C(C)C(=O)CCC1(C)CC2O,"InChI=1S/C15H22O4/c1-7-9(16)4-5-15(3)6-10(17)11-8(2)14(18)19-13(11)12(7)15/h7-8,10-13,17H,4-6H2,1-3H3",SCHUPVUUEKIZGP,UHFFFAOYSA,N,Arabsin,SCHUPVUUEKIZGP-UHFFFAOYSA-N
HMDB36152,266.151809192,C15H22O4,CC1C2CCC3(C)C(O)CC(O)C(C)=C3C2OC1=O,"InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9-11,13,16-17H,4-6H2,1-3H3",FTWSMHMWRDSQDU,UHFFFAOYSA,N,Alkhanol,FTWSMHMWRDSQDU-UHFFFAOYSA-N
HMDB36153,264.20893014,C17H28O2,CC(C)C1CCC(C)(C=C)C(C1OC(C)=O)C(C)=C,"InChI=1S/C17H28O2/c1-8-17(7)10-9-14(11(2)3)16(19-13(6)18)15(17)12(4)5/h8,11,14-16H,1,4,9-10H2,2-3,5-7H3",YDQZSIGUGOIRSL,UHFFFAOYSA,N,Shyobunyl acetate,YDQZSIGUGOIRSL-UHFFFAOYSA-N
HMDB36154,204.187800768,C15H24,CC(C)=CCC\C(C)=C1/CCC(C)=CC1,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-",XBGUIVFBMBVUEG,PFONDFGASA,N,"(Z)-2,6,10-Bisabolatriene",XBGUIVFBMBVUEG-PFONDFGASA-N
HMDB36155,230.13067982,C15H18O2,CC(=C)C1C(=O)C2=C(CC1(C)C=C)OC=C2C,"InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3",ZVMJXSJCBLRAPD,UHFFFAOYSA,N,Curzerenone,ZVMJXSJCBLRAPD-UHFFFAOYSA-N
HMDB36156,296.125988372,C15H20O6,CC1=CC2OC3C(O)CC(C)(C33CO3)C2(CO)C(O)C1=O,"InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3",LINOMUASTDIRTM,UHFFFAOYSA,N,Deoxynivalenol,LINOMUASTDIRTM-UHFFFAOYSA-N
HMDB36157,340.152203122,C17H24O7,CC(=O)OC1C(O)C2OC3C=C(C)C(O)CC3(CO)C1(C)C21CO1,"InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3",CSYVMZMEBKUDRQ,UHFFFAOYSA,N,15-Deacetylneosolaniol,CSYVMZMEBKUDRQ-UHFFFAOYSA-N
HMDB36158,340.152203122,C17H24O7,CC(=O)OCC12CC(O)C(C)=CC1OC1C(O)C(O)C2(C)C11CO1,"InChI=1S/C17H24O7/c1-8-4-11-16(5-10(8)19,6-22-9(2)18)15(3)13(21)12(20)14(24-11)17(15)7-23-17/h4,10-14,19-21H,5-7H2,1-3H3",FCLYQYOJLQDQNA,UHFFFAOYSA,N,4-Deacetylneosolaniol,FCLYQYOJLQDQNA-UHFFFAOYSA-N
HMDB36159,298.141638436,C15H22O6,CC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1O,"InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3",ZAXZBJSXSOISTF,UHFFFAOYSA,N,Toxin T2 tetrol,ZAXZBJSXSOISTF-UHFFFAOYSA-N
HMDB36160,340.152203122,C17H24O7,CC(=O)OC1CC2(CO)C(OC3C(O)C(O)C2(C)C32CO2)C=C1C,"InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)23-9(2)19)15(3)13(21)12(20)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3",JEDSAONQRSEAMA,UHFFFAOYSA,N,8-Acetyl-T2 tetrol,JEDSAONQRSEAMA-UHFFFAOYSA-N
HMDB36161,480.23593275,C25H36O9,CCC(=O)OC1C(O)C2OC3C=C(C)C(CC3(COC(C)=O)C1(C)C21CO1)OC(=O)CC(C)C,"InChI=1S/C25H36O9/c1-7-18(27)34-21-20(29)22-25(12-31-25)23(21,6)24(11-30-15(5)26)10-16(14(4)9-17(24)33-22)32-19(28)8-13(2)3/h9,13,16-17,20-22,29H,7-8,10-12H2,1-6H3",HHSVPRXLNYVHLR,UHFFFAOYSA,N,4-Propanoyl-HT2 toxin,HHSVPRXLNYVHLR-UHFFFAOYSA-N
HMDB36162,440.204632622,C22H32O9,CC(=O)OCC12CC(OC(=O)CC(C)(C)O)C(C)=CC1OC1C(O)C(O)C2(C)C11CO1,"InChI=1S/C22H32O9/c1-11-6-14-21(9-28-12(2)23,7-13(11)30-15(24)8-19(3,4)27)20(5)17(26)16(25)18(31-14)22(20)10-29-22/h6,13-14,16-18,25-27H,7-10H2,1-5H3",OJBCMLLFVXXDGS,UHFFFAOYSA,N,3'-Hydroxy-HT2 toxin,OJBCMLLFVXXDGS-UHFFFAOYSA-N
HMDB36163,204.187800773,C15H24,CC(CCC=C(C)C)C1CCC(=C)C=C1,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3",PHWISBHSBNDZDX,UHFFFAOYSA,N,beta-Sesquiphellandrene,PHWISBHSBNDZDX-UHFFFAOYSA-N
HMDB36164,204.187800768,C15H24,CC(CCC=C(C)C)C1CC=C(C)C=C1,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3",KKOXKGNSUHTUBV,UHFFFAOYSA,N,Zingiberene,KKOXKGNSUHTUBV-UHFFFAOYSA-N
HMDB36165,144.115029756,C8H16O2,CCCCC(CO)C(C)=O,"InChI=1S/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3",MHOXVRWQBOAOAU,UHFFFAOYSA,N,3-(Hydroxymethyl)-2-heptanone,MHOXVRWQBOAOAU-UHFFFAOYSA-N
HMDB36166,130.135765198,C8H18O,CC(C)C(C)(O)C(C)C,"InChI=1S/C8H18O/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3",PLSMHHUFDLYURK,UHFFFAOYSA,N,"2,3,4-Trimethyl-3-pentanol",PLSMHHUFDLYURK-UHFFFAOYSA-N
HMDB36167,254.043521072,C12H14O2S2,CC1=CC(SSC2=C(C)OC(C)=C2)=C(C)O1,"InChI=1S/C12H14O2S2/c1-7-5-11(9(3)13-7)15-16-12-6-8(2)14-10(12)4/h5-6H,1-4H3",JDWCALSZHJBMIQ,UHFFFAOYSA,N,"Bis(2,5-dimethyl-3-furanyl) disulfide",JDWCALSZHJBMIQ-UHFFFAOYSA-N
HMDB36168,289.956362324,C10H10O2S4,CC1=C(SSSSC2=C(C)OC=C2)C=CO1,"InChI=1S/C10H10O2S4/c1-7-9(3-5-11-7)13-15-16-14-10-4-6-12-8(10)2/h3-6H,1-2H3",WCQMHJWTXQMUQE,UHFFFAOYSA,N,Bis(2-methyl-3-furanyl)tetrasulfide,WCQMHJWTXQMUQE-UHFFFAOYSA-N
HMDB36169,152.083729628,C9H12O2,CC(CC=O)C1=CC=C(C)O1,"InChI=1S/C9H12O2/c1-7(5-6-10)9-4-3-8(2)11-9/h3-4,6-7H,5H2,1-2H3",DFSVNSCDOZSUCT,UHFFFAOYSA,N,3-(5-Methyl-2-furanyl)butanal,DFSVNSCDOZSUCT-UHFFFAOYSA-N
HMDB36170,204.151415262,C14H20O,CCCCC\C(CO)=C\C1=CC=CC=C1,"InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11-",LIPHCKNQPJXUQF,KAMYIIQDSA,N,2-Benzylidene-1-heptanol,LIPHCKNQPJXUQF-KAMYIIQDSA-N
HMDB36171,176.120115134,C12H16O,CC(C)C1=CC=C(CCC=O)C=C1,"InChI=1S/C12H16O/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h5-10H,3-4H2,1-2H3",RLEFOSDUWZYGOS,UHFFFAOYSA,N,3-(4-Isopropylphenyl)propanal,RLEFOSDUWZYGOS-UHFFFAOYSA-N
HMDB36172,196.18271539,C13H24O,CC(O)CCC1=C(C)CCCC1(C)C,"InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11,14H,5-9H2,1-4H3",VSYLEWGIVLSDIY,UHFFFAOYSA,N,"4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol",VSYLEWGIVLSDIY-UHFFFAOYSA-N
HMDB36173,197.120449485,C14H15N,C(CC1=CC=CC=C1)CC1=NC=CC=C1,"InChI=1S/C14H15N/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14/h1-5,7-8,10,12H,6,9,11H2",JJJPNTQYUJPWGQ,UHFFFAOYSA,N,2-(3-Phenylpropyl)pyridine,JJJPNTQYUJPWGQ-UHFFFAOYSA-N
HMDB36174,150.115698458,C9H14N2,CC(C)CC1=C(C)N=CC=N1,"InChI=1S/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3",ZHMIODDNZRIENW,UHFFFAOYSA,N,2-Methyl-3-(2-methylpropyl)pyrazine,ZHMIODDNZRIENW-UHFFFAOYSA-N
HMDB36175,176.131348522,C11H16N2,C(C1CCCCC1)C1=CN=CC=N1,"InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2",DGJZDAIWCSVZBI,UHFFFAOYSA,N,(Cyclohexylmethyl)pyrazine,DGJZDAIWCSVZBI-UHFFFAOYSA-N
HMDB36176,140.083729628,C8H12O2,CCC1=C(O)C(=O)CC1C,"InChI=1S/C8H12O2/c1-3-6-5(2)4-7(9)8(6)10/h5,10H,3-4H2,1-2H3",RSVAFMGHIDKYKB,UHFFFAOYSA,N,3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one,RSVAFMGHIDKYKB-UHFFFAOYSA-N
HMDB36177,154.099379692,C9H14O2,CC1=C(O)C(=O)CC(C)(C)C1,"InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3",DWGZTTFGUFHAJX,UHFFFAOYSA,N,"3,5,5-Trimethyl-1,2-cyclohexanedione",DWGZTTFGUFHAJX-UHFFFAOYSA-N
HMDB36178,190.135765198,C13H18O,C(CC1CCCO1)CC1=CC=CC=C1,"InChI=1S/C13H18O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2",PBXKRPSGIACPQF,UHFFFAOYSA,N,2-(3-Phenylpropyl)tetrahydrofuran,PBXKRPSGIACPQF-UHFFFAOYSA-N
HMDB36179,120.006741636,C4H8S2,CC1SCCS1,"InChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",CARJCVDELAMAEJ,UHFFFAOYSA,N,"2-Methyl-1,3-dithiolane",CARJCVDELAMAEJ-UHFFFAOYSA-N
HMDB36180,104.065971074,C5H12S,CC(C)C(C)S,"InChI=1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3",BFLXFRNPNMTTAA,UHFFFAOYSA,N,3-Methyl-2-butanethiol,BFLXFRNPNMTTAA-UHFFFAOYSA-N
HMDB36181,156.060885696,C8H12OS,CC(C)SCC1=CC=CO1,"InChI=1S/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3",WCHRNAKORAINOJ,UHFFFAOYSA,N,2-[(Isopropylthio)methyl]furan,WCHRNAKORAINOJ-UHFFFAOYSA-N
HMDB36182,198.161979948,C12H22O2,CCCCC1(CCCC)CCC(=O)O1,"InChI=1S/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3",KZEKELDMLDBVFV,UHFFFAOYSA,N,"5,5-Dibutyl-4,5-dihydro-2(3H)furanone",KZEKELDMLDBVFV-UHFFFAOYSA-N
HMDB36183,162.10446507,C11H14O,CC(=O)CCC1=CC=C(C)C=C1,"InChI=1S/C11H14O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-4,6-7H,5,8H2,1-2H3",BUIRDOGDCJQFDA,UHFFFAOYSA,N,4-(4-Methylphenyl)-2-butanone,BUIRDOGDCJQFDA-UHFFFAOYSA-N
HMDB36184,194.167065326,C13H22O,CC(O)CCC1=C(C)C=CCC1(C)C,"InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,11,14H,7-9H2,1-4H3",WPGXAVCJKGSOBD,UHFFFAOYSA,N,"7,8-Dehydro-3,4-dihydro-beta-ionol",WPGXAVCJKGSOBD-UHFFFAOYSA-N
HMDB36185,198.068079564,C13H10O2,O=C\C(=C\C1=CC=CO1)C1=CC=CC=C1,InChI=1S/C13H10O2/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h1-10H/b12-9-,JPESOGFYFXAURP,XFXZXTDPSA,N,3-(2-Furanyl)-2-phenyl-2-propenal,JPESOGFYFXAURP-XFXZXTDPSA-N
HMDB36186,126.025168892,C5H6N2S,SCC1=CN=CC=N1,"InChI=1S/C5H6N2S/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2",VQFGDOHENLRPFB,UHFFFAOYSA,N,Pyrazinemethanethiol,VQFGDOHENLRPFB-UHFFFAOYSA-N
HMDB36187,206.051383642,C10H10N2OS,CC1=CN=CC(SCC2=CC=CO2)=N1,"InChI=1S/C10H10N2OS/c1-8-5-11-6-10(12-8)14-7-9-3-2-4-13-9/h2-6H,7H2,1H3",KVROPEIAOPWQEV,UHFFFAOYSA,N,2-[(2-Furanylmethyl)thio]-6-methylpyrazine,KVROPEIAOPWQEV-UHFFFAOYSA-N
HMDB36188,172.109944378,C9H16O3,CCCC(=O)OCC1CCCO1,"InChI=1S/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3",DPZVDLFOAZNCBU,UHFFFAOYSA,N,Tetrahydrofurfuryl butyrate,DPZVDLFOAZNCBU-UHFFFAOYSA-N
HMDB36189,232.109944378,C14H16O3,O=C(OCC1CCCO1)\C=C\C1=CC=CC=C1,"InChI=1S/C14H16O3/c15-14(17-11-13-7-4-10-16-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2/b9-8+",QCMSQCLNALBZOD,CMDGGOBGSA,N,Tetrahydrofurfuryl cinnamate,QCMSQCLNALBZOD-CMDGGOBGSA-N
HMDB36190,166.135765198,C11H18O,CCCCCCCC1=CC=CO1,"InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3",BHTUFJXTYNLISA,UHFFFAOYSA,N,2-Heptylfuran,BHTUFJXTYNLISA-UHFFFAOYSA-N
HMDB36191,182.13067982,C11H18O2,CC\C=C\CCC1(C)CCC(=O)O1,"InChI=1S/C11H18O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h4-5H,3,6-9H2,1-2H3/b5-4+",NIKDJTTZUYNCMM,SNAWJCMRSA,N,4-Hydroxy-4-methyl-7-decenoic acid gamma-lactone,NIKDJTTZUYNCMM-SNAWJCMRSA-N
HMDB36192,220.18271539,C15H24O,CC(C)=CCC\C(C)=C\CC1CCCC1=O,"InChI=1S/C15H24O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,10,14H,4-5,7-9,11H2,1-3H3/b13-10+",ZNSALEJHPSBXDK,JLHYYAGUSA,N,Apritone,ZNSALEJHPSBXDK-JLHYYAGUSA-N
HMDB36193,148.055800318,C6H12O2S,CC(C)(S)CCOC=O,"InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3",VTAPYUYITKYXJB,UHFFFAOYSA,N,3-Mercapto-3-methylbutyl formate,VTAPYUYITKYXJB-UHFFFAOYSA-N
HMDB36194,134.07653576,C6H14OS,COCCC(C)(C)S,"InChI=1S/C6H14OS/c1-6(2,8)4-5-7-3/h8H,4-5H2,1-3H3",XVHGKKGBUDMTIQ,UHFFFAOYSA,N,4-Methoxy-2-methyl-2-butanethiol,XVHGKKGBUDMTIQ-UHFFFAOYSA-N
HMDB36195,171.162314299,C10H21NO,CNC(=O)C(C)(C(C)C)C(C)C,"InChI=1S/C10H21NO/c1-7(2)10(5,8(3)4)9(12)11-6/h7-8H,1-6H3,(H,11,12)",RWAXQWRDVUOOGG,UHFFFAOYSA,N,"N,2,3-Trimethyl-2-(1-methylethyl)butanamide",RWAXQWRDVUOOGG-UHFFFAOYSA-N
HMDB36196,154.135765198,C10H18O,CCCCC\C=C\C=C\CO,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-9,11H,2-5,10H2,1H3/b7-6+,9-8+",NUBWFSDCZULDCI,BLHCBFLLSA,N,"(2E,4E)-2,4-Decadien-1-ol",NUBWFSDCZULDCI-BLHCBFLLSA-N
HMDB36197,222.198365454,C15H26O,[H][C@]1(CCC(C)=CC1)[C@](C)(O)CCC=C(C)C,"InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1",RGZSQWQPBWRIAQ,LSDHHAIUSA,N,(-)-alpha-Bisabolol,RGZSQWQPBWRIAQ-LSDHHAIUSA-N
HMDB36198,222.198365454,C15H26O,[H][C@]1(CCC(C)=CC1)[C@](C)(O)CCC=C(C)C,"InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1",RGZSQWQPBWRIAQ,LSDHHAIUSA,N,(+)-alpha-Bisabolol,RGZSQWQPBWRIAQ-LSDHHAIUSA-N
HMDB36199,210.089208936,C11H14O4,COC1=C(O)C=CC(=C1)C1OCC(C)O1,"InChI=1S/C11H14O4/c1-7-6-14-11(15-7)8-3-4-9(12)10(5-8)13-2/h3-5,7,11-12H,6H2,1-2H3",RFGCVZIIIHRESZ,UHFFFAOYSA,N,"2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol",RFGCVZIIIHRESZ-UHFFFAOYSA-N
HMDB36200,204.187800768,C15H24,CC(CCCC(C)=C)C1=CCC(C)=CC1,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8,11,14H,1,5-7,9-10H2,2-4H3",XISBISVWIJDEQH,UHFFFAOYSA,N,"(R)-2,5,11-Bisabolatriene",XISBISVWIJDEQH-UHFFFAOYSA-N
HMDB36201,218.167065326,C15H22O,CC(C)=CC(=O)\C=C(\C)C1CCC(C)=CC1,"InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9-10,14H,6-8H2,1-4H3/b13-10-",OJEFBZMKKJTKKK,RAXLEYEMSA,N,"(E)-10,11-Dihydro-alpha-atlantone",OJEFBZMKKJTKKK-RAXLEYEMSA-N
HMDB36202,264.136159128,C15H20O4,CC1C2CCC3(C)C(O)CC(=O)C(C)=C3C2OC1=O,"InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9,11,13,17H,4-6H2,1-3H3",RARZBOWMYCHUMB,UHFFFAOYSA,N,Alkhanin,RARZBOWMYCHUMB-UHFFFAOYSA-N
HMDB36203,224.104859,C12H16O4,CCOC1=C(O)C=CC(=C1)C1OCC(C)O1,"InChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3",IFUIILQWHYHIEK,UHFFFAOYSA,N,"2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol",IFUIILQWHYHIEK-UHFFFAOYSA-N
HMDB36204,162.035064876,C6H10O3S,CSC(=O)C(C)OC(C)=O,"InChI=1S/C6H10O3S/c1-4(6(8)10-3)9-5(2)7/h4H,1-3H3",BYXWIZRQYXPTSL,UHFFFAOYSA,N,1-(Methylsulfanyl)-1-oxopropan-2-yl acetate,BYXWIZRQYXPTSL-UHFFFAOYSA-N
HMDB36205,288.20893014,C19H28O2,CCCCC\C(COC(=O)CC(C)C)=C\C1=CC=CC=C1,"InChI=1S/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14-",RNKTVAMGERKTEZ,JXAWBTAJSA,N,alpha-Amylcinnamyl isovalerate,RNKTVAMGERKTEZ-JXAWBTAJSA-N
HMDB36206,232.146329884,C15H20O2,CCCCC\C(COC=O)=C\C1=CC=CC=C1,"InChI=1S/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11-",AWNFWGNFOOJDNO,PTNGSMBKSA,N,alpha-Amylcinnamyl formate,AWNFWGNFOOJDNO-PTNGSMBKSA-N
HMDB36207,246.161979948,C16H22O2,CCCCC\C(COC(C)=O)=C\C1=CC=CC=C1,"InChI=1S/C16H22O2/c1-3-4-6-11-16(13-18-14(2)17)12-15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3/b16-12-",CMJSVJIGLBDCME,VBKFSLOCSA,N,alpha-Amylcinnamyl acetate,CMJSVJIGLBDCME-VBKFSLOCSA-N
HMDB36208,156.115029756,C9H16O2,CCC(CC)C(=O)OCC=C,"InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3",NBKXNUWCFMZFMM,UHFFFAOYSA,N,2-Propenyl 2-ethylbutanoate,NBKXNUWCFMZFMM-UHFFFAOYSA-N
HMDB36209,130.099379692,C7H14O2,CCCOC(=O)C(C)C,"InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3",AZFUASHXSOTBNU,UHFFFAOYSA,N,Propyl 2-methylpropanoate,AZFUASHXSOTBNU-UHFFFAOYSA-N
HMDB36210,256.240230268,C16H32O2,CCCCCCCCCCCCOC(=O)C(C)C,"InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3",LDPLLPONRGVDGK,UHFFFAOYSA,N,Dodecyl 2-methylpropanoate,LDPLLPONRGVDGK-UHFFFAOYSA-N
HMDB36211,170.13067982,C10H18O2,CCCCCCOC(=O)\C=C/C,"InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4-",MZNHUHNWGVUEAT,YWEYNIOJSA,N,Hexyl crotonate,MZNHUHNWGVUEAT-YWEYNIOJSA-N
HMDB36212,142.099379692,C8H14O2,C\C=C/C(=O)OCC(C)C,"InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4-",XDOWKOALJBOBBL,PLNGDYQASA,N,2-Methylpropyl (2E)-butenoate,XDOWKOALJBOBBL-PLNGDYQASA-N
HMDB36213,172.109944378,C9H16O3,CC\C=C/CCOC(=O)C(C)O,"InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-",NNLLMULULOBXBY,PLNGDYQASA,N,cis-3-Hexenyl lactate,NNLLMULULOBXBY-PLNGDYQASA-N
HMDB36214,474.173726424,C21H30O12,COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OCC(O)C(C)(O)CO)C(O)C(O)C2O)=C1,"InChI=1S/C21H30O12/c1-21(29,10-22)15(24)9-32-20-19(28)18(27)17(26)14(33-20)8-31-16(25)6-4-11-3-5-12(23)13(7-11)30-2/h3-7,14-15,17-20,22-24,26-29H,8-10H2,1-2H3/b6-4+",BZWPYDSZGOMZNC,GQCTYLIASA,N,"6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside",BZWPYDSZGOMZNC-GQCTYLIASA-N
HMDB36215,182.13067982,C11H18O2,CCCCCCC#CC(=O)OCC,"InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3",BFZNMUGAZYAMTG,UHFFFAOYSA,N,Ethyl octynecarboxylate,BFZNMUGAZYAMTG-UHFFFAOYSA-N
HMDB36216,228.20893014,C14H28O2,CCCCCCCC(=O)OCCCCCC,"InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3",PBGWNXWNCSSXCO,UHFFFAOYSA,N,Hexyl octanoate,PBGWNXWNCSSXCO-UHFFFAOYSA-N
HMDB36217,214.193280076,C13H26O2,CCCCCCCC(=O)OCCCCC,"InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3",GJWGZSBNFSBUPX,UHFFFAOYSA,N,Pentyl octanoate,GJWGZSBNFSBUPX-UHFFFAOYSA-N
HMDB36218,242.224580204,C15H30O2,CCCCCCCOC(=O)CCCCCCC,"InChI=1S/C15H30O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h3-14H2,1-2H3",TZXWLJYLYILFGM,UHFFFAOYSA,N,Heptyl octanoate,TZXWLJYLYILFGM-UHFFFAOYSA-N
HMDB36219,214.193280076,C13H26O2,CCCCCCCCOC(=O)C(C)CC,"InChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h12H,4-11H2,1-3H3",BCOJVEMHTBSAOE,UHFFFAOYSA,N,Octyl 2-methylbutyrate,BCOJVEMHTBSAOE-UHFFFAOYSA-N
HMDB36220,242.224580204,C15H30O2,CCCCCCCCOC(=O)CCCCCC,"InChI=1S/C15H30O2/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h3-14H2,1-2H3",XAZROQGRFWCMBU,UHFFFAOYSA,N,Octyl heptanoate,XAZROQGRFWCMBU-UHFFFAOYSA-N
HMDB36221,248.177630012,C16H24O2,CCCCC\C(=C\C1=CC=CC=C1)C(OC)OC,"InChI=1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13-",QCHZKUPVENJLAW,SQFISAMPSA,N,[2-(Dimethoxymethyl)-1-heptenyl]benzene,QCHZKUPVENJLAW-SQFISAMPSA-N
HMDB36222,156.115029756,C9H16O2,CCC(=O)OC1CCCCC1,"InChI=1S/C9H16O2/c1-2-9(10)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3",MAMMVUWCKMOLSG,UHFFFAOYSA,N,Cyclohexyl propionate,MAMMVUWCKMOLSG-UHFFFAOYSA-N
HMDB36223,638.584925606,C40H78O5,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(41)44-37-35-43-36-38-45-40(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3",YKDMBTQVKVEMSA,UHFFFAOYSA,N,Diethylene glycol distearate,YKDMBTQVKVEMSA-UHFFFAOYSA-N
HMDB36224,204.115029756,C13H16O2,CC(C)=C(C)C(=O)OCC1=CC=CC=C1,"InChI=1S/C13H16O2/c1-10(2)11(3)13(14)15-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3",LHDWSNQMWAZQPX,UHFFFAOYSA,N,"Benzyl 2,3-dimethyl-2-butenoate",LHDWSNQMWAZQPX-UHFFFAOYSA-N
HMDB36225,200.177630012,C12H24O2,CCCCCCC(=O)OCCCCC,"InChI=1S/C12H24O2/c1-3-5-7-8-10-12(13)14-11-9-6-4-2/h3-11H2,1-2H3",PSQMUBJRXIGVIT,UHFFFAOYSA,N,Pentyl heptanoate,PSQMUBJRXIGVIT-UHFFFAOYSA-N
HMDB36226,196.109944378,C11H16O3,CCCC1=CC(OC)=C(O)C(OC)=C1,"InChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h6-7,12H,4-5H2,1-3H3",YHEWWEXPVKCVFY,UHFFFAOYSA,N,"2,6-Dimethoxy-4-propylphenol",YHEWWEXPVKCVFY-UHFFFAOYSA-N
HMDB36227,152.083729628,C9H12O2,C\C=C\C=C\C(=O)OCC=C,"InChI=1S/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3/b5-3+,7-6+",CVNZYQJBZIJLCL,TWTPFVCWSA,N,"2-Propenyl 2,4-hexadienoate",CVNZYQJBZIJLCL-TWTPFVCWSA-N
HMDB36228,172.146329884,C10H20O2,CCCCCC(=O)OCC(C)C,"InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3",UXUPPWPIGVTVQI,UHFFFAOYSA,N,2-Methylpropyl hexanoate,UXUPPWPIGVTVQI-UHFFFAOYSA-N
HMDB36229,186.161979948,C11H22O2,CCCCCOC(=O)CCCCC,"InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3",WRFZKAGPPQGDDQ,UHFFFAOYSA,N,Pentyl hexanoate,WRFZKAGPPQGDDQ-UHFFFAOYSA-N
HMDB36230,158.094294314,C8H14O3,CCCC(=O)OC(C)C(C)=O,"InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3",LJDWJXUIGKSETE,UHFFFAOYSA,N,1-Methyl-2-oxopropyl butyrate,LJDWJXUIGKSETE-UHFFFAOYSA-N
HMDB36231,146.094294314,C7H14O3,COC(=O)C(O)CC(C)C,"InChI=1S/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3",JOSNYUDSMPILKL,UHFFFAOYSA,N,Methyl DL-Leucate,JOSNYUDSMPILKL-UHFFFAOYSA-N
HMDB36232,144.042258744,C6H8O4,C\C(=C(/C)C(O)=O)C(O)=O,"InChI=1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h1-2H3,(H,7,8)(H,9,10)/b4-3-",CGBYBGVMDAPUIH,ARJAWSKDSA,N,Maleic acid homopolymer,CGBYBGVMDAPUIH-ARJAWSKDSA-N
HMDB36233,188.104859,C9H16O4,CCCCOC(=O)CC(=O)OCC,"InChI=1S/C9H16O4/c1-3-5-6-13-9(11)7-8(10)12-4-2/h3-7H2,1-2H3",IHVVZSPWQJWRDV,UHFFFAOYSA,N,Butyl ethyl malonate,IHVVZSPWQJWRDV-UHFFFAOYSA-N
HMDB36234,158.13067982,C9H18O2,CC(C)CCOC(=O)C(C)C,"InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3",VFTGLSWXJMRZNB,UHFFFAOYSA,N,3-Methylbutyl 2-methylpropanoate,VFTGLSWXJMRZNB-UHFFFAOYSA-N
HMDB36235,178.099379692,C11H14O2,CC(C)(CC1=CC=CC=C1)OC=O,"InChI=1S/C11H14O2/c1-11(2,13-9-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",CFSCYYFRHIBXMS,UHFFFAOYSA,N,"alpha,alpha-Dimethylphenethyl formate",CFSCYYFRHIBXMS-UHFFFAOYSA-N
HMDB36236,142.099379692,C8H14O2,CCCC(=O)OCC(C)=C,"InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h2,4-6H2,1,3H3",AHRIFIYGSJEEKU,UHFFFAOYSA,N,2-Methylallyl butyrate,AHRIFIYGSJEEKU-UHFFFAOYSA-N
HMDB36237,130.099379692,C7H14O2,CCCC(C)C(=O)OC,"InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3",ZTULNMNIVVMLIU,UHFFFAOYSA,N,Methyl (±)-2-methylpentanoate,ZTULNMNIVVMLIU-UHFFFAOYSA-N
HMDB36238,130.099379692,C7H14O2,COC(=O)CCC(C)C,"InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3",KBCOVKHULBZKNY,UHFFFAOYSA,N,Methyl 4-methylpentanoate,KBCOVKHULBZKNY-UHFFFAOYSA-N
HMDB36239,154.099379692,C9H14O2,CC1=C(O)C(=O)CC(C)(C)C1,"InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3",DWGZTTFGUFHAJX,UHFFFAOYSA,N,"Enol-3,5,5-Trimethyl-1,2-cyclohexanedione",DWGZTTFGUFHAJX-UHFFFAOYSA-N
HMDB36240,206.13067982,C13H18O2,COC(=O)CC1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3",HXVTYMWVMVKVTF,UHFFFAOYSA,N,Methyl 4-tert-butylphenylacetate,HXVTYMWVMVKVTF-UHFFFAOYSA-N
HMDB36241,680.23750847,C25H44O21,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O,"InChI=1S/C25H44O21/c1-40-21-15(34)14(33)16(35)22(20(21)39)46-25-19(38)13(32)10(29)7(45-25)4-42-24-18(37)12(31)9(28)6(44-24)3-41-23-17(36)11(30)8(27)5(2-26)43-23/h5-39H,2-4H2,1H3/t5-,6-,7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21-,22+,23+,24+,25-/m1/s1",UMROTOJYTIKHPJ,NKPCKLMGSA,N,6''-O-alpha-D-Galactopyranosylciceritol,UMROTOJYTIKHPJ-NKPCKLMGSA-N
HMDB36242,571.102946021,C20H29NO14S2,CC1OC(OC2=CC=C(C\C(SC3OC(CO)C(O)C(O)C3O)=N/OS(O)(=O)=O)C=C2)C(O)C(O)C1O,"InChI=1S/C20H29NO14S2/c1-8-13(23)15(25)17(27)19(32-8)33-10-4-2-9(3-5-10)6-12(21-35-37(29,30)31)36-20-18(28)16(26)14(24)11(7-22)34-20/h2-5,8,11,13-20,22-28H,6-7H2,1H3,(H,29,30,31)/b21-12+",DMPSBIMDSBBEQA,CIAFOILYSA,N,4-O-alpha-L-Rhamnopyranosylglucosinalbin,DMPSBIMDSBBEQA-CIAFOILYSA-N
HMDB36243,888.4718655,C44H72O18,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C44H72O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-41-38(61-40-36(54)34(52)32(50)28(14-45)58-40)37(33(51)29(15-46)59-41)60-39-35(53)31(49)25(48)17-55-39/h18-41,45-54H,5-17H2,1-4H3",CZBXLGUXHJJJMB,UHFFFAOYSA,N,Schidigerasaponin F1,CZBXLGUXHJJJMB-UHFFFAOYSA-N
HMDB36244,756.429606756,C39H64O14,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C39H64O14/c1-17-7-10-39(48-16-17)18(2)28-25(53-39)12-22-20-6-5-19-11-24(23(42)13-38(19,4)21(20)8-9-37(22,28)3)49-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)26(14-40)50-35/h17-36,40-47H,5-16H2,1-4H3",ZGVRGXGXZKITGK,UHFFFAOYSA,N,Schidigerasaponin F2,ZGVRGXGXZKITGK-UHFFFAOYSA-N
HMDB36245,886.492600942,C45H74O17,CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C45H74O17/c1-18-7-12-45(55-17-18)19(2)30-28(62-45)15-25-23-14-27(47)26-13-22(8-10-43(26,5)24(23)9-11-44(25,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3",AXDIWOQMQMPLJH,UHFFFAOYSA,N,"b-Chlorogenin 3-[2'',4''-dirhamnosylglucoside]",AXDIWOQMQMPLJH-UHFFFAOYSA-N
HMDB36246,872.476950878,C44H72O17,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-36(53)34(51)32(49)28(15-45)57-40)37(33(50)29(16-46)58-41)59-39-35(52)31(48)26(47)18-54-39/h19-41,45-53H,5-18H2,1-4H3",ZAZNQYAHJWQLHA,UHFFFAOYSA,N,Schidigerasaponin D1,ZAZNQYAHJWQLHA-UHFFFAOYSA-N
HMDB36247,902.487515564,C45H74O18,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-39(62-41-37(55)35(53)32(50)28(16-47)59-41)38(33(51)29(17-48)60-42)61-40-36(54)34(52)31(49)27(15-46)58-40/h19-42,46-55H,5-18H2,1-4H3",DKEFDSJGKPNAQN,UHFFFAOYSA,N,Schidigerasaponin D3,DKEFDSJGKPNAQN-UHFFFAOYSA-N
HMDB36248,740.434692134,C39H64O13,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3",MMTWXUQMLQGAPC,UHFFFAOYSA,N,Schidigerasaponin D5,MMTWXUQMLQGAPC-UHFFFAOYSA-N
HMDB36249,430.308309832,C27H42O4,CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CCC23C)OC11CCC(=C)CO1,"InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h16-24,28-29H,1,5-14H2,2-4H3",VCEIEQKXIVAQBX,UHFFFAOYSA,N,Schidigeragenin C,VCEIEQKXIVAQBX-UHFFFAOYSA-N
HMDB36250,886.456215436,C44H70O18,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(=C)CO1,"InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-41-38(61-40-36(54)34(52)32(50)28(14-45)58-40)37(33(51)29(15-46)59-41)60-39-35(53)31(49)25(48)17-55-39/h19-41,45-54H,1,5-17H2,2-4H3",SEEFJRURFRVKII,UHFFFAOYSA,N,Schidigerasaponin C1,SEEFJRURFRVKII-UHFFFAOYSA-N
HMDB36251,754.413956692,C39H62O14,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(=C)CO1,"InChI=1S/C39H62O14/c1-17-7-10-39(48-16-17)18(2)28-25(53-39)12-22-20-6-5-19-11-24(23(42)13-38(19,4)21(20)8-9-37(22,28)3)49-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)26(14-40)50-35/h18-36,40-47H,1,5-16H2,2-4H3",AQYRNJPPAIKAIO,UHFFFAOYSA,N,Schidigerasaponin C2,AQYRNJPPAIKAIO-UHFFFAOYSA-N
HMDB36252,1352.624856482,C63H100O31,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C2(C)CC3O)C(O)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C63H100O31/c1-23-45(89-51-40(75)34(69)26(65)20-83-51)47(91-52-43(78)46(28(67)22-84-52)90-53-41(76)37(72)36(71)29(19-64)87-53)44(79)55(86-23)93-49-35(70)27(66)21-85-56(49)94-57(82)63-16-15-58(2,3)17-25(63)24-9-10-31-60(6)13-12-33(88-54-42(77)38(73)39(74)48(92-54)50(80)81)59(4,5)30(60)11-14-61(31,7)62(24,8)18-32(63)68/h9,23,25-49,51-56,64-79H,10-22H2,1-8H3,(H,80,81)",FYEQTPKVWSYEIB,UHFFFAOYSA,N,Foetidissimoside B,FYEQTPKVWSYEIB-UHFFFAOYSA-N
HMDB36253,444.396730908,C30H52O2,CCC(CCC(C)C1CCC2C3C(OC)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C30H52O2/c1-8-21(19(2)3)10-9-20(4)24-11-12-25-28-26(14-16-30(24,25)6)29(5)15-13-23(31)17-22(29)18-27(28)32-7/h18-21,23-28,31H,8-17H2,1-7H3",LJJLFLNKMQSUFO,UHFFFAOYSA,N,Schleichol 1,LJJLFLNKMQSUFO-UHFFFAOYSA-N
HMDB36254,566.142426296,C29H26O12,COC1=CC=CC=C1C(=O)OC1C(O)C(O)C(C)OC1OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C=C2)=C1,"InChI=1S/C29H26O12/c1-13-22(32)24(34)27(41-28(36)17-5-3-4-6-19(17)37-2)29(38-13)39-16-11-18(31)21-20(12-16)40-26(25(35)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,24,27,29-32,34-35H,1-2H3",LEIRBJWWXASKQN,UHFFFAOYSA,N,Gladiatoside C2,LEIRBJWWXASKQN-UHFFFAOYSA-N
HMDB36255,566.142426296,C29H26O12,COC1=CC=CC=C1C(=O)OC1C(O)C(C)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C1O,"InChI=1S/C29H26O12/c1-13-22(32)27(41-28(36)17-5-3-4-6-19(17)37-2)25(35)29(38-13)39-16-11-18(31)21-20(12-16)40-26(24(34)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,25,27,29-32,34-35H,1-2H3",NEPVCTKYHYAHAZ,UHFFFAOYSA,N,Gladiatoside C1,NEPVCTKYHYAHAZ-UHFFFAOYSA-N
HMDB36256,1020.311067342,C47H56O25,COC1=C(C=CC=C1)C(=O)OC1C(O)C(O)C(C)OC1OC1=CC(O)=C2C(OC(C3=CC=C(O)C=C3)=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2=O)=C1,"InChI=1S/C47H56O25/c1-16-28(50)33(55)37(59)44(64-16)63-15-26-31(53)36(58)42(72-45-38(60)34(56)29(51)17(2)65-45)47(69-26)71-40-32(54)27-23(49)13-21(14-25(27)68-39(40)19-9-11-20(48)12-10-19)67-46-41(35(57)30(52)18(3)66-46)70-43(61)22-7-5-6-8-24(22)62-4/h5-14,16-18,26,28-31,33-38,41-42,44-53,55-60H,15H2,1-4H3",CJBYOKRHBBYDIV,UHFFFAOYSA,N,Gladiatoside B3,CJBYOKRHBBYDIV-UHFFFAOYSA-N
HMDB36257,1020.311067342,C47H56O25,COC1=C(C=CC=C1)C(=O)OC1C(O)C(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3=O)=C2)C1O,"InChI=1S/C47H56O25/c1-16-28(50)33(55)36(58)44(64-16)63-15-26-31(53)35(57)42(72-45-37(59)34(56)29(51)17(2)65-45)47(69-26)71-41-32(54)27-23(49)13-21(14-25(27)68-39(41)19-9-11-20(48)12-10-19)67-46-38(60)40(30(52)18(3)66-46)70-43(61)22-7-5-6-8-24(22)62-4/h5-14,16-18,26,28-31,33-38,40,42,44-53,55-60H,15H2,1-4H3",VUBCUXVHRXVASQ,UHFFFAOYSA,N,Gladiatoside B2,VUBCUXVHRXVASQ-UHFFFAOYSA-N
HMDB36258,1020.311067342,C47H56O25,COC1=C(C=CC=C1)C(=O)OC1C(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3=O)=C2)C(O)C1O,"InChI=1S/C47H56O25/c1-16-28(50)32(54)36(58)44(64-16)63-15-26-30(52)34(56)42(72-46-37(59)33(55)29(51)17(2)65-46)47(69-26)71-41-31(53)27-23(49)13-21(14-25(27)68-40(41)19-9-11-20(48)12-10-19)67-45-38(60)35(57)39(18(3)66-45)70-43(61)22-7-5-6-8-24(22)62-4/h5-14,16-18,26,28-30,32-39,42,44-52,54-60H,15H2,1-4H3",NSMFKKWRTGCCJP,UHFFFAOYSA,N,Gladiatoside B1,NSMFKKWRTGCCJP-UHFFFAOYSA-N
HMDB36259,1036.305981964,C47H56O26,COC1=C(C=CC=C1)C(=O)OC1C(O)C(O)C(C)OC1OC1=CC(O)=C2C(OC(C3=CC=C(O)C=C3)=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2=O)=C1,"InChI=1S/C47H56O26/c1-16-28(51)33(56)37(60)44(65-16)64-15-26-31(54)36(59)42(73-45-38(61)34(57)30(53)25(14-48)69-45)47(70-26)72-40-32(55)27-22(50)12-20(13-24(27)68-39(40)18-8-10-19(49)11-9-18)67-46-41(35(58)29(52)17(2)66-46)71-43(62)21-6-4-5-7-23(21)63-3/h4-13,16-17,25-26,28-31,33-38,41-42,44-54,56-61H,14-15H2,1-3H3",UVIPIMQKEJUCMV,UHFFFAOYSA,N,Gladiatoside A3,UVIPIMQKEJUCMV-UHFFFAOYSA-N
HMDB36260,1036.305981964,C47H56O26,COC1=C(C=CC=C1)C(=O)OC1C(O)C(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3=O)=C2)C1O,"InChI=1S/C47H56O26/c1-16-28(51)33(56)36(59)44(65-16)64-15-26-31(54)35(58)42(73-45-37(60)34(57)30(53)25(14-48)69-45)47(70-26)72-41-32(55)27-22(50)12-20(13-24(27)68-39(41)18-8-10-19(49)11-9-18)67-46-38(61)40(29(52)17(2)66-46)71-43(62)21-6-4-5-7-23(21)63-3/h4-13,16-17,25-26,28-31,33-38,40,42,44-54,56-61H,14-15H2,1-3H3",QTJCVGUOWJYLGH,UHFFFAOYSA,N,Gladiatoside A2,QTJCVGUOWJYLGH-UHFFFAOYSA-N
HMDB36261,1036.305981964,C47H56O26,COC1=C(C=CC=C1)C(=O)OC1C(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3=O)=C2)C(O)C1O,"InChI=1S/C47H56O26/c1-16-28(51)32(55)36(59)44(65-16)64-15-26-30(53)34(57)42(73-46-37(60)33(56)29(52)25(14-48)69-46)47(70-26)72-41-31(54)27-22(50)12-20(13-24(27)68-40(41)18-8-10-19(49)11-9-18)67-45-38(61)35(58)39(17(2)66-45)71-43(62)21-6-4-5-7-23(21)63-3/h4-13,16-17,25-26,28-30,32-39,42,44-53,55-61H,14-15H2,1-3H3",OXADVNUEZRYSAH,UHFFFAOYSA,N,Gladiatoside A1,OXADVNUEZRYSAH-UHFFFAOYSA-N
HMDB36262,320.23514489,C20H32O3,CC1(CO)CCCC2(C)C3CCC4CC3(CC4C(O)=O)CCC12,"InChI=1S/C20H32O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h13-16,21H,3-12H2,1-2H3,(H,22,23)",LKXILSFITASWCO,UHFFFAOYSA,N,Annoglabasin E,LKXILSFITASWCO-UHFFFAOYSA-N
HMDB36263,406.23553882,C23H34O6,COC(=O)C1(CC23CC1CCC2C1(C)CCCC(C)(C1CC3)C(O)=O)OC(C)=O,"InChI=1S/C23H34O6/c1-14(24)29-23(19(27)28-4)13-22-11-8-16-20(2,17(22)7-6-15(23)12-22)9-5-10-21(16,3)18(25)26/h15-17H,5-13H2,1-4H3,(H,25,26)",USYOOQFISINJLZ,UHFFFAOYSA,N,Annoglabasin C,USYOOQFISINJLZ-UHFFFAOYSA-N
HMDB36264,624.13264947,C27H28O17,CC1OC(OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H28O17/c1-7-15(31)17(33)20(36)26(40-7)43-23-16(32)14-12(30)5-9(41-27-21(37)18(34)19(35)24(44-27)25(38)39)6-13(14)42-22(23)8-2-3-10(28)11(29)4-8/h2-7,15,17-21,24,26-31,33-37H,1H3,(H,38,39)",WKPJKGBJWOCOIM,UHFFFAOYSA,N,Quercetin 7-glucuronide 3-rhamnoside,WKPJKGBJWOCOIM-UHFFFAOYSA-N
HMDB36265,1672.73558872,C76H120O40,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(C)C(O)C(O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C76H120O40/c1-26-38(82)44(88)49(93)64(103-26)111-56-51(95)58(61(98)99)113-69(60(56)115-65-50(94)45(89)42(86)33(21-77)106-65)108-37-13-14-72(6)35(73(37,7)25-79)12-15-75(9)36(72)11-10-29-30-20-71(4,5)16-18-76(30,19-17-74(29,75)8)70(100)116-68-59(46(90)39(83)27(2)104-68)114-66-53(97)57(54(28(3)105-66)109-62-47(91)40(84)31(80)23-101-62)112-67-52(96)55(43(87)34(22-78)107-67)110-63-48(92)41(85)32(81)24-102-63/h10,25-28,30-60,62-69,77-78,80-97H,11-24H2,1-9H3,(H,98,99)",ITTILXNWLDHOGR,UHFFFAOYSA,N,Momordicasaponin I,ITTILXNWLDHOGR-UHFFFAOYSA-N
HMDB36266,2150.977000778,C98H158O51,CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(O)C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C1OC1OC(C)C(OC2OCC(O)C(OC3OCC(O)(CO)C3O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O,"InChI=1S/C98H158O51/c1-13-37(3)47(135-56(109)25-42(105)24-48(38(4)14-2)136-84-66(119)62(115)51(31-101)137-84)23-41(104)26-57(110)141-74-58(111)39(5)133-88(78(74)148-87-71(124)76(145-85-67(120)63(116)60(113)49(29-99)138-85)72(40(6)134-87)142-83-70(123)73(46(107)33-131-83)143-90-80(125)97(129,35-103)36-132-90)149-91(128)98-22-21-92(7,8)27-44(98)43-15-16-53-93(9)19-18-55(94(10,34-102)52(93)17-20-95(53,11)96(43,12)28-54(98)108)140-89-79(147-86-68(121)64(117)61(114)50(30-100)139-86)75(69(122)77(146-89)81(126)127)144-82-65(118)59(112)45(106)32-130-82/h15,34,37-42,44-55,58-80,82-90,99-101,103-108,111-125,129H,13-14,16-33,35-36H2,1-12H3,(H,126,127)",JQKAKAILZMOMBO,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[apiosyl-(1->3)-xylosyl-(1->4)-[glucosyl-(1->3)]-rhamnosyl-(1->2)-3-[5-[[5-(arabinosyloxy)-3-hydroxy-6-methyl-1-oxooctyl]oxy]-3-hydroxy-6-methyl-1-oxooctyl]-fucosyl] ester,JQKAKAILZMOMBO-UHFFFAOYSA-N
HMDB36267,2032.950392098,C94H152O47,CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O,"InChI=1S/C94H152O47/c1-14-35(3)45(128-54(103)26-41(100)25-46(36(4)15-2)129-82-65(114)60(109)49(32-97)130-82)24-40(99)27-55(104)134-72-38(6)127-86(77(69(72)118)139-85-71(120)75(137-83-67(116)62(111)58(107)47(30-95)131-83)73(39(7)126-85)135-80-64(113)57(106)44(101)33-124-80)141-88(123)94-23-22-89(8,9)28-43(94)42-16-17-51-90(10)20-19-53(91(11,34-98)50(90)18-21-92(51,12)93(42,13)29-52(94)102)133-87-78(140-84-68(117)63(112)59(108)48(31-96)132-84)74(70(119)76(138-87)79(121)122)136-81-66(115)61(110)56(105)37(5)125-81/h16,34-41,43-53,56-78,80-87,95-97,99-102,105-120H,14-15,17-33H2,1-13H3,(H,121,122)",MBDLUULJCDDOFI,UHFFFAOYSA,N,Quillaic acid 3-[rhamnosyl-(1->3)-[galactosyl-(1->2)]-glucuronide] 28-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)-4-[5-[[5-(arabinosyloxy)-3-hydroxy-6-methyl-1-oxooctyl]oxy]-3-hydroxy-6-methyl-1-oxooctyl]-fucosyl] ester,MBDLUULJCDDOFI-UHFFFAOYSA-N
HMDB36268,2018.934742034,C93H150O47,CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O,"InChI=1S/C93H150O47/c1-13-35(3)45(127-54(103)25-40(99)24-46(36(4)14-2)128-81-65(114)60(109)49(31-96)129-81)23-39(98)26-55(104)133-71-37(5)126-85(76(68(71)117)138-84-70(119)74(136-82-66(115)61(110)58(107)47(29-94)130-82)72(38(6)125-84)134-79-63(112)56(105)43(100)32-123-79)140-87(122)93-22-21-88(7,8)27-42(93)41-15-16-51-89(9)19-18-53(90(10,34-97)50(89)17-20-91(51,11)92(41,12)28-52(93)102)132-86-77(139-83-67(116)62(111)59(108)48(30-95)131-83)73(69(118)75(137-86)78(120)121)135-80-64(113)57(106)44(101)33-124-80/h15,34-40,42-53,56-77,79-86,94-96,98-102,105-119H,13-14,16-33H2,1-12H3,(H,120,121)",VHWBCTPATPAFAX,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)-4-[5-[[5-(arabinosyloxy)-3-hydroxy-6-methyl-1-oxooctyl]oxy]-3-hydroxy-6-methyl-1-oxooctyl]-fucosyl] ester,VHWBCTPATPAFAX-UHFFFAOYSA-N
HMDB36269,2164.992650842,C99H160O51,CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O,"InChI=1S/C99H160O51/c1-14-37(3)47(136-56(109)26-43(106)25-48(38(4)15-2)137-85-65(118)61(114)51(32-102)138-85)24-42(105)27-57(110)142-73-40(6)135-89(79(69(73)122)148-88-72(125)77(146-86-67(120)63(116)59(112)49(30-100)139-86)74(41(7)134-88)143-83-71(124)75(46(107)33-131-83)144-91-81(126)98(130,35-104)36-132-91)150-92(129)99-23-22-93(8,9)28-45(99)44-16-17-53-94(10)20-19-55(95(11,34-103)52(94)18-21-96(53,12)97(44,13)29-54(99)108)141-90-80(149-87-68(121)64(117)60(113)50(31-101)140-87)76(70(123)78(147-90)82(127)128)145-84-66(119)62(115)58(111)39(5)133-84/h16,34,37-43,45-55,58-81,83-91,100-102,104-108,111-126,130H,14-15,17-33,35-36H2,1-13H3,(H,127,128)",MWZYPLKAQQZARZ,UHFFFAOYSA,N,"Quillaic acid 3-[rhamnosyl-(1->3)-[galactosyl-(1->2)]-glucuronide], 28-[apiosyl-(1->3)-xylosyl-(1->4)-[glucosyl-(1->3)]-rhamnosyl-(1->2)-4-[5-[[5-(arabinosyloxy)-3-hydroxy-6-methyl-1-oxooctyl]oxy]-3-hydroxy-6-methyl-1-oxooctyl]-fucosyl] ester",MWZYPLKAQQZARZ-UHFFFAOYSA-N
HMDB36270,2032.950392098,C94H152O47,CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(O)C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C1OC1OC(C)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O,"InChI=1S/C94H152O47/c1-14-35(3)45(128-54(103)26-41(100)25-46(36(4)15-2)129-82-66(115)61(110)49(32-97)130-82)24-40(99)27-55(104)134-73-57(106)38(6)126-86(77(73)140-85-71(120)75(137-83-68(117)63(112)59(108)47(30-95)131-83)72(39(7)127-85)135-80-65(114)58(107)44(101)33-124-80)141-88(123)94-23-22-89(8,9)28-43(94)42-16-17-51-90(10)20-19-53(91(11,34-98)50(90)18-21-92(51,12)93(42,13)29-52(94)102)133-87-78(139-84-69(118)64(113)60(109)48(31-96)132-84)74(70(119)76(138-87)79(121)122)136-81-67(116)62(111)56(105)37(5)125-81/h16,34-41,43-53,56-78,80-87,95-97,99-102,105-120H,14-15,17-33H2,1-13H3,(H,121,122)",OAQYXBPPEVBYOJ,UHFFFAOYSA,N,Quillaic acid 3-[rhamnosyl-(1->3)-[galactosyl-(1->2)]-glucuronide] 28-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)-3-[5-[[5-(arabinosyloxy)-3-hydroxy-6-methyl-1-oxooctyl]oxy]-3-hydroxy-6-methyl-1-oxooctyl]-fucosyl] ester,OAQYXBPPEVBYOJ-UHFFFAOYSA-N
HMDB36271,2018.934742034,C93H150O47,CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(O)C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C1OC1OC(C)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O,"InChI=1S/C93H150O47/c1-13-35(3)45(127-54(103)25-40(99)24-46(36(4)14-2)128-81-66(115)61(110)49(31-96)129-81)23-39(98)26-55(104)133-72-56(105)37(5)125-85(76(72)139-84-70(119)74(136-82-67(116)62(111)59(108)47(29-94)130-82)71(38(6)126-84)134-79-64(113)57(106)43(100)32-123-79)140-87(122)93-22-21-88(7,8)27-42(93)41-15-16-51-89(9)19-18-53(90(10,34-97)50(89)17-20-91(51,11)92(41,12)28-52(93)102)132-86-77(138-83-68(117)63(112)60(109)48(30-95)131-83)73(69(118)75(137-86)78(120)121)135-80-65(114)58(107)44(101)33-124-80/h15,34-40,42-53,56-77,79-86,94-96,98-102,105-119H,13-14,16-33H2,1-12H3,(H,120,121)",XRWQSYOIYKDFDG,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)-3-[5-[[5-(arabinosyloxy)-3-hydroxy-6-methyl-1-oxooctyl]oxy]-3-hydroxy-6-methyl-1-oxooctyl]-fucosyl] ester,XRWQSYOIYKDFDG-UHFFFAOYSA-N
HMDB36272,1688.730503342,C76H120O41,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(O)C(O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C76H120O41/c1-25-38(83)44(89)49(94)64(104-25)112-56-51(96)58(61(99)100)114-69(60(56)116-65-50(95)45(90)42(87)32(20-77)107-65)109-37-13-14-72(6)34(73(37,7)24-79)12-15-74(8)35(72)11-10-28-29-18-71(4,5)16-17-76(29,36(82)19-75(28,74)9)70(101)117-68-59(46(91)39(84)26(2)105-68)115-66-53(98)57(54(27(3)106-66)110-62-47(92)40(85)30(80)22-102-62)113-67-52(97)55(43(88)33(21-78)108-67)111-63-48(93)41(86)31(81)23-103-63/h10,24-27,29-60,62-69,77-78,80-98H,11-23H2,1-9H3,(H,99,100)",MBOSQJXNWZRRFQ,UHFFFAOYSA,N,Momordicasaponin II,MBOSQJXNWZRRFQ-UHFFFAOYSA-N
HMDB36273,1436.645985854,C67H104O33,CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C67H104O33/c1-24-36(73)39(76)45(82)56(89-24)98-52-49(92-27(4)70)26(3)91-60(53(52)99-57-47(84)43(80)48(25(2)90-57)95-55-44(81)37(74)30(71)22-88-55)100-61(87)67-18-17-62(5,6)19-29(67)28-11-12-33-63(7)15-14-35(64(8,23-69)32(63)13-16-65(33,9)66(28,10)20-34(67)72)94-59-51(42(79)41(78)50(96-59)54(85)86)97-58-46(83)40(77)38(75)31(21-68)93-58/h11,23-26,29-53,55-60,68,71-84H,12-22H2,1-10H3,(H,85,86)",NCECUVMWTCHHHY,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-glucuronide] 28-[xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester,NCECUVMWTCHHHY-UHFFFAOYSA-N
HMDB36274,1582.703894662,C73H114O37,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C73H114O37/c1-25-38(79)42(83)47(88)61(97-25)105-54-51(92)55(59(93)94)106-66(57(54)108-64-49(90)44(85)41(82)33(22-74)102-64)103-37-15-16-69(8)34(70(37,9)24-75)14-17-71(10)35(69)13-12-30-31-20-68(6,7)18-19-73(31,36(78)21-72(30,71)11)67(95)110-65-58(56(53(28(4)100-65)101-29(5)76)107-62-48(89)43(84)39(80)26(2)98-62)109-63-50(91)45(86)52(27(3)99-63)104-60-46(87)40(81)32(77)23-96-60/h12,24-28,31-58,60-66,74,77-92H,13-23H2,1-11H3,(H,93,94)",AOFARUOREYHOHG,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4acetyl-fucosyl] ester,AOFARUOREYHOHG-UHFFFAOYSA-N
HMDB36275,1568.688244598,C72H112O37,CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C72H112O37/c1-25-38(79)42(83)47(88)61(97-25)106-55-52(100-28(4)75)27(3)99-64(57(55)108-62-49(90)44(85)51(26(2)98-62)103-59-45(86)39(80)31(76)22-95-59)109-66(94)72-18-17-67(5,6)19-30(72)29-11-12-35-68(7)15-14-37(69(8,24-74)34(68)13-16-70(35,9)71(29,10)20-36(72)78)102-65-56(107-63-48(89)43(84)41(82)33(21-73)101-63)53(50(91)54(105-65)58(92)93)104-60-46(87)40(81)32(77)23-96-60/h11,24-27,30-57,59-65,73,76-91H,12-23H2,1-10H3,(H,92,93)",GQXBCSUNTDVPNP,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester,GQXBCSUNTDVPNP-UHFFFAOYSA-N
HMDB36276,1714.746153406,C78H122O41,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(OC6OCC(O)(CO)C6O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C78H122O41/c1-27-40(85)43(88)47(92)64(105-27)114-56-51(96)57(62(99)100)115-69(59(56)117-67-49(94)45(90)42(87)35(22-79)110-67)111-39-15-16-73(8)36(74(39,9)24-80)14-17-75(10)37(73)13-12-32-33-20-72(6,7)18-19-78(33,38(84)21-76(32,75)11)71(101)119-68-60(58(54(30(4)108-68)109-31(5)82)116-65-48(93)44(89)41(86)28(2)106-65)118-66-50(95)46(91)53(29(3)107-66)112-63-52(97)55(34(83)23-103-63)113-70-61(98)77(102,25-81)26-104-70/h12,24,27-30,33-61,63-70,79,81,83-98,102H,13-23,25-26H2,1-11H3,(H,99,100)",KOTNBFRPUJOEMU,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[apiosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester,KOTNBFRPUJOEMU-UHFFFAOYSA-N
HMDB36277,1700.730503342,C77H120O41,CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C77H120O41/c1-27-40(85)43(88)47(92)64(105-27)115-57-53(108-30(4)81)29(3)107-67(59(57)117-65-49(94)45(90)52(28(2)106-65)111-63-51(96)54(34(83)23-103-63)112-69-60(97)76(101,25-80)26-104-69)118-70(100)77-18-17-71(5,6)19-32(77)31-11-12-37-72(7)15-14-39(73(8,24-79)36(72)13-16-74(37,9)75(31,10)20-38(77)84)110-68-58(116-66-48(93)44(89)42(87)35(21-78)109-66)55(50(95)56(114-68)61(98)99)113-62-46(91)41(86)33(82)22-102-62/h11,24,27-29,32-60,62-69,78,80,82-97,101H,12-23,25-26H2,1-10H3,(H,98,99)",YTBXKIYTVBAGKK,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[apiosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester,YTBXKIYTVBAGKK-UHFFFAOYSA-N
HMDB36278,1714.746153406,C78H122O41,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(OC6OCC(O)C(O)C6O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C78H122O41/c1-26-40(85)44(89)49(94)66(105-26)114-58-53(98)59(63(100)101)115-71(61(58)117-69-51(96)46(91)43(88)35(22-79)110-69)111-39-15-16-74(8)36(75(39,9)25-80)14-17-76(10)37(74)13-12-31-32-20-73(6,7)18-19-78(32,38(84)21-77(31,76)11)72(102)119-70-62(60(56(29(4)108-70)109-30(5)81)116-67-50(95)45(90)41(86)27(2)106-67)118-68-52(97)47(92)55(28(3)107-68)112-65-54(99)57(34(83)24-104-65)113-64-48(93)42(87)33(82)23-103-64/h12,25-29,32-62,64-71,79,82-99H,13-24H2,1-11H3,(H,100,101)",NIGZBYKDLOLGFB,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronoside] 28-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester,NIGZBYKDLOLGFB-UHFFFAOYSA-N
HMDB36279,1700.730503342,C77H120O41,CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C77H120O41/c1-26-40(85)44(89)49(94)66(105-26)115-59-55(108-29(4)80)28(3)107-69(61(59)117-67-51(96)46(91)54(27(2)106-67)111-65-53(98)56(34(83)24-104-65)112-63-47(92)41(86)32(81)22-102-63)118-71(101)77-18-17-72(5,6)19-31(77)30-11-12-37-73(7)15-14-39(74(8,25-79)36(73)13-16-75(37,9)76(30,10)20-38(77)84)110-70-60(116-68-50(95)45(90)43(88)35(21-78)109-68)57(52(97)58(114-70)62(99)100)113-64-48(93)42(87)33(82)23-103-64/h11,25-28,31-61,63-70,78,81-98H,12-24H2,1-10H3,(H,99,100)",VSFWYUONHSEVOI,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronoside] 28-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester,VSFWYUONHSEVOI-UHFFFAOYSA-N
HMDB36280,902.487515564,C45H74O18,CC(CCC1(O)OC2CC3C4CCC5=CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h14,19-21,23-42,46-56H,6-13,15-18H2,1-5H3",LWXZBNGSFONONO,UHFFFAOYSA,N,Trigoneoside XIIb,LWXZBNGSFONONO-UHFFFAOYSA-N
HMDB36281,384.120902994,C21H20O7,COC1=C2CC(OC2=CC2=C1C=C(C(=O)O2)C1=C(O)C=C(O)C=C1)C(C)(C)O,"InChI=1S/C21H20O7/c1-21(2,25)18-8-14-16(27-18)9-17-13(19(14)26-3)7-12(20(24)28-17)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-23,25H,8H2,1-3H3",GAUFLNQQCSXBPK,UHFFFAOYSA,N,Licofuranocoumarin,GAUFLNQQCSXBPK-UHFFFAOYSA-N
HMDB36282,594.449554338,C35H62O7,CCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCC(O)CCCC1=CC(C)OC1=O,"InChI=1S/C35H62O7/c1-3-4-5-6-10-13-19-29(37)31-21-23-33(41-31)34-24-22-32(42-34)30(38)20-14-11-8-7-9-12-17-28(36)18-15-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3",RVEYLRYYFXLLCT,UHFFFAOYSA,N,6-Hydroxydesacetyluvaricin (incorr.),RVEYLRYYFXLLCT-UHFFFAOYSA-N
HMDB36283,546.407295594,C37H54O3,CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C/C1=CC=C(O)C=C1,"InChI=1S/C37H54O3/c1-24(2)25(3)7-8-26(4)32-16-17-33-31-15-12-28-23-30(19-21-36(28,5)34(31)20-22-37(32,33)6)40-35(39)18-11-27-9-13-29(38)14-10-27/h9-14,18,24-26,30-34,38H,7-8,15-17,19-23H2,1-6H3/b18-11-",OOLXGDSPUCDFAL,WQRHYEAKSA,N,Campesteryl p-coumarate,OOLXGDSPUCDFAL-WQRHYEAKSA-N
HMDB36284,562.402210216,C37H54O4,CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C/C1=CC(O)=C(O)C=C1,"InChI=1S/C37H54O4/c1-23(2)24(3)7-8-25(4)30-13-14-31-29-12-11-27-22-28(17-19-36(27,5)32(29)18-20-37(30,31)6)41-35(40)16-10-26-9-15-33(38)34(39)21-26/h9-11,15-16,21,23-25,28-32,38-39H,7-8,12-14,17-20,22H2,1-6H3/b16-10-",ZXDDRZYEBDQKAY,YBEGLDIGSA,N,Campesteryl caffeate,ZXDDRZYEBDQKAY-YBEGLDIGSA-N
HMDB36285,576.41786028,C38H56O4,COC1=C(O)C=CC(\C=C/C(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(C)C(C)C)=C1,"InChI=1S/C38H56O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-12,16-17,22,24-26,29-33,39H,8-9,13-15,18-21,23H2,1-7H3/b17-11-",SWIWTAJTJOYCTB,BOPFTXTBSA,N,Campesteryl ferulate,SWIWTAJTJOYCTB-BOPFTXTBSA-N
HMDB36286,660.584531676,C46H76O2,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C,"InChI=1S/C46H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h9-10,12-13,15-16,26,35-37,39-43H,8,11,14,17-25,27-34H2,1-7H3/b10-9-,13-12-,16-15-",SOZHSICUHFFXDQ,YOILPLPUSA,N,Campesteryl alpha-linolenate,SOZHSICUHFFXDQ-YOILPLPUSA-N
HMDB36287,662.60018174,C46H78O2,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C,"InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h12-13,15-16,26,35-37,39-43H,8-11,14,17-25,27-34H2,1-7H3/b13-12-,16-15-",DWTYTVTUGPAKRN,QGLGPCELSA,N,Campesteryl linoleate,DWTYTVTUGPAKRN-QGLGPCELSA-N
HMDB36288,664.615831804,C46H80O2,CCCCCCCC\C=C/CCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C,"InChI=1S/C46H80O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,26,35-37,39-43H,8-14,17-25,27-34H2,1-7H3/b16-15-",PBJGXWXGARTUCF,NXVVXOECSA,N,Campesteryl elaidate,PBJGXWXGARTUCF-NXVVXOECSA-N
HMDB36289,666.631481868,C46H82O2,CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C,"InChI=1S/C46H82O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h26,35-37,39-43H,8-25,27-34H2,1-7H3",MUHWUERCGJWBKA,UHFFFAOYSA,N,Campesteryl stearate,MUHWUERCGJWBKA-UHFFFAOYSA-N
HMDB36290,720.67843206,C50H88O2,CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C,"InChI=1S/C50H88O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-48(51)52-43-34-36-49(6)42(38-43)30-31-44-46-33-32-45(50(46,7)37-35-47(44)49)41(5)29-28-40(4)39(2)3/h15-16,30,39-41,43-47H,8-14,17-29,31-38H2,1-7H3/b16-15+",SVGTUNXQTXZOHW,FOCLMDBBSA,N,Campesteryl brassidate,SVGTUNXQTXZOHW-FOCLMDBBSA-N
HMDB36291,800.65300517,C50H88O7,CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(C)C(C)C)C(O)C(O)C1O,"InChI=1S/C50H88O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-44(51)55-33-43-45(52)46(53)47(54)48(57-43)56-38-28-30-49(6)37(32-38)24-25-39-41-27-26-40(50(41,7)31-29-42(39)49)36(5)23-22-35(4)34(2)3/h24,34-36,38-43,45-48,52-54H,8-23,25-33H2,1-7H3",DAPLORBFRRJHHY,UHFFFAOYSA,N,Campesterol 6'-hexadecanoylglucoside,DAPLORBFRRJHHY-UHFFFAOYSA-N
HMDB36292,826.668655234,C52H90O7,CCCCCCCC\C=C/CCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(C)C(C)C)C(O)C(O)C1O,"InChI=1S/C52H90O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-46(53)57-35-45-47(54)48(55)49(56)50(59-45)58-40-30-32-51(6)39(34-40)26-27-41-43-29-28-42(52(43,7)33-31-44(41)51)38(5)25-24-37(4)36(2)3/h15-16,26,36-38,40-45,47-50,54-56H,8-14,17-25,27-35H2,1-7H3/b16-15-",SZVZHAIFWPRDNE,NXVVXOECSA,N,Campesterol 6'-(9Z-octadecenoyl)-glucoside,SZVZHAIFWPRDNE-NXVVXOECSA-N
HMDB36293,562.402210216,C37H54O4,COC1=CC(\C=C\C(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=CC=C1O,"InChI=1S/C37H54O4/c1-24(2)8-7-9-25(3)30-14-15-31-29-13-12-27-23-28(18-20-36(27,4)32(29)19-21-37(30,31)5)41-35(39)17-11-26-10-16-33(38)34(22-26)40-6/h10-12,16-17,22,24-25,28-32,38H,7-9,13-15,18-21,23H2,1-6H3/b17-11+",CPBQNAKTSMCPNH,GZTJUZNOSA,N,Cholesteryl ferulate,CPBQNAKTSMCPNH-GZTJUZNOSA-N
HMDB36294,390.13146768,C20H22O8,OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C=C1\C=C\C1=CC=C(O)C=C1,"InChI=1S/C20H22O8/c21-9-15-17(25)18(26)19(27)20(28-15)16-11(7-13(23)8-14(16)24)4-1-10-2-5-12(22)6-3-10/h1-8,15,17-27H,9H2/b4-1+",ISYJYFWUXHMCFY,DAFODLJHSA,N,"(E)-2-Glucosyl-3,4',5-trihydroxystilbene",ISYJYFWUXHMCFY-DAFODLJHSA-N
HMDB36295,604.449160408,C40H60O4,COC1=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCCC(C)C)=CC=C1O,"InChI=1S/C40H60O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h12-14,17,24,26-27,29,32-34,41H,9-11,15-16,18-23,25H2,1-8H3/b17-13+",MFIVAYYVKCBONU,GHRIWEEISA,N,Cycloartanyl ferulate,MFIVAYYVKCBONU-GHRIWEEISA-N
HMDB36296,652.345877128,C34H52O12,CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C(OC2OCC(O)C(O)C2O)C(O)C1O,"InChI=1S/C34H52O12/c1-16-25(37)27(39)29(46-30-28(40)26(38)23(35)15-43-30)31(44-16)45-19-6-9-32(2)18(13-19)4-5-22-21(32)7-10-33(3)20(8-11-34(22,33)41)17-12-24(36)42-14-17/h12,16,18-23,25-31,35,37-41H,4-11,13-15H2,1-3H3",MNZAIHQSWNCDQA,UHFFFAOYSA,N,Uzarigenin 3-[xylosyl-(1->2)-rhamnoside],MNZAIHQSWNCDQA-UHFFFAOYSA-N
HMDB36297,886.456215436,C44H70O18,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-41-38(61-40-36(54)34(52)32(50)27(14-45)58-40)37(33(51)28(15-46)59-41)60-39-35(53)31(49)25(47)17-55-39/h18-28,30-41,45-47,49-54H,5-17H2,1-4H3",AADIIQJBIMAADJ,UHFFFAOYSA,N,Schidigerasaponin E1,AADIIQJBIMAADJ-UHFFFAOYSA-N
HMDB36298,552.36621864,C31H52O8,CC(C)C(O)(CO)CCC(C)(O)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O,"InChI=1S/C31H52O8/c1-17(2)30(39,16-32)12-10-27(5,38)23-18(33)14-26(4)19-7-8-20-28(6,24(36)37)21(34)13-22(35)31(20)15-29(19,31)11-9-25(23,26)3/h17-23,32-35,38-39H,7-16H2,1-6H3,(H,36,37)",DXAVXXNAJINCIJ,UHFFFAOYSA,N,Cyclopassifloic acid E,DXAVXXNAJINCIJ-UHFFFAOYSA-N
HMDB36299,618.392039459,C39H54O6,CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(C)C5CCC34C)C12)C(O)=O,"InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40-41H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+",AQHKWALTXQHZKK,XNTDXEJSSA,N,3-O-p-trans-Coumaroylalphitolic acid,AQHKWALTXQHZKK-XNTDXEJSSA-N
HMDB36300,714.41904207,C37H62O13,CC(C)C(O)(CO)CCC(C)(O)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C37H62O13/c1-18(2)36(48,17-39)12-10-33(5,47)28-19(40)14-32(4)21-7-8-22-34(6,30(46)50-29-27(45)26(44)25(43)20(15-38)49-29)23(41)13-24(42)37(22)16-35(21,37)11-9-31(28,32)3/h18-29,38-45,47-48H,7-17H2,1-6H3",MOYBUGGNPKXCHY,UHFFFAOYSA,N,Cyclopassifloside VII,MOYBUGGNPKXCHY-UHFFFAOYSA-N
HMDB36301,218.090271568,C8H14N2O5,CC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)",WQXXXVRAFAKQJM,UHFFFAOYSA,N,N-gamma-L-Glutamyl-D-alanine,WQXXXVRAFAKQJM-UHFFFAOYSA-N
HMDB36302,334.250794954,C21H34O3,COC1(C)CC23CC1CCC2C1(C)CCCC(C)(C1CC3)C(O)=O,"InChI=1S/C21H34O3/c1-18-9-5-10-19(2,17(22)23)15(18)8-11-21-12-14(6-7-16(18)21)20(3,13-21)24-4/h14-16H,5-13H2,1-4H3,(H,22,23)",VYVVNCBNYVCVGC,UHFFFAOYSA,N,ent-16beta-Methoxy-19-kauranoic acid,VYVVNCBNYVCVGC-UHFFFAOYSA-N
HMDB36303,594.137340918,C30H26O13,OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(10-1-2-14(32)16(34)3-10)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)11-4-19(37)26(40)20(38)5-11/h1-7,9,21,25,27-29,31-41H,8H2",YJMNEZANCYQLJR,UHFFFAOYSA,N,Epicatechin-(4beta->8)-gallocatechin,YJMNEZANCYQLJR-UHFFFAOYSA-N
HMDB36304,426.31339521,C28H42O3,CC(C)C(C)\C=C\C(C)C1CC=C2C3=C(CCC12C)C1(C)CCC(O)CC11OC1C3O,"InChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,10,16-20,24-25,29-30H,9,11-15H2,1-6H3/b8-7+",USHMBEFGKMCIBD,BQYQJAHWSA,N,"(3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol",USHMBEFGKMCIBD-BQYQJAHWSA-N
HMDB36305,298.047738052,C16H10O6,COC1=C2C3=C(C4=C(O3)C=C(O)C=C4)C(=O)OC2=CC(O)=C1,"InChI=1S/C16H10O6/c1-20-11-5-8(18)6-12-14(11)15-13(16(19)22-12)9-3-2-7(17)4-10(9)21-15/h2-6,17-18H,1H3",OVLUQDOJWGTPHA,UHFFFAOYSA,N,Isotrifoliol,OVLUQDOJWGTPHA-UHFFFAOYSA-N
HMDB36306,516.308703762,C30H44O7,CC(CC(O)\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O,"InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21,23,31-32,35H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+",JTBDTJVGIGEPFI,LFIBNONCSA,N,Ganoderic acid delta,JTBDTJVGIGEPFI-LFIBNONCSA-N
HMDB36307,516.308703762,C30H44O7,CC(CC(O)\C=C(/C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21-22,31-32,34H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+",MIWGXXQCEDNROQ,LFIBNONCSA,N,Ganoderic acid epsilon,MIWGXXQCEDNROQ-LFIBNONCSA-N
HMDB36308,514.293053698,C30H42O7,CC(CC(O)\C=C(/C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O,"InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-18,21-22,31,34H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+",PRJBNEAPLDQWLQ,LFIBNONCSA,N,Ganoderic acid xi,PRJBNEAPLDQWLQ-LFIBNONCSA-N
HMDB36309,532.303618384,C30H44O8,CC(CC(O)\C=C(/C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h11,14,16-20,25,31-33,36H,8-10,12-13H2,1-7H3,(H,37,38)/b15-11+",SFQSUCWHIWDMMD,RVDMUPIBSA,N,Ganoderic acid eta,SFQSUCWHIWDMMD-RVDMUPIBSA-N
HMDB36310,530.28796832,C30H42O8,CC(CC(O)\C=C(/C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O,"InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h11,14,16-17,19-20,25,31,33,36H,8-10,12-13H2,1-7H3,(H,37,38)/b15-11+",FKJPUWHTFMQAOG,RVDMUPIBSA,N,Ganoderic acid theta,FKJPUWHTFMQAOG-RVDMUPIBSA-N
HMDB36311,488.350174646,C30H48O5,CC1(C)CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)=C2C1)C(O)=O,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h20-23,31-33H,7-17H2,1-6H3,(H,34,35)",LBYASJQBHLSHBP,UHFFFAOYSA,N,Centellasapogenol A,LBYASJQBHLSHBP-UHFFFAOYSA-N
HMDB36312,410.354866094,C29H46O,CC(C)C(C)C(\C)=C\C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C29H46O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8-9,16,18,20-21,23,25-27,30H,10-15,17H2,1-7H3/b19-16+",MNBTWOPOWPOHGH,KNTRCKAVSA,N,"(3beta,22E,24R)-23-Methylergosta-5,7,22-trien-3-ol",MNBTWOPOWPOHGH-KNTRCKAVSA-N
HMDB36313,492.272318256,C27H40O8,CC(C)C1=C2C3CC(OC(C)=O)C(C=O)=CC(OC4OCC(O)C(O)C4O)C3(C)CCC2(C)CC1,"InChI=1S/C27H40O8/c1-14(2)17-6-7-26(4)8-9-27(5)18(22(17)26)11-20(34-15(3)29)16(12-28)10-21(27)35-25-24(32)23(31)19(30)13-33-25/h10,12,14,18-21,23-25,30-32H,6-9,11,13H2,1-5H3",SEBFACPAABUJNW,UHFFFAOYSA,N,Erinacine P,SEBFACPAABUJNW-UHFFFAOYSA-N
HMDB36314,224.032087988,C10H8O6,OC(=O)C(=C)OC1=C(O)C=CC(=C1)C(O)=O,"InChI=1S/C10H8O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,11H,1H2,(H,12,13)(H,14,15)",LKNPFOZIOWXDQS,UHFFFAOYSA,N,Dehydrochorismic acid,LKNPFOZIOWXDQS-UHFFFAOYSA-N
HMDB36315,362.245709576,C22H34O4,COC(=O)C1CC23CC1CCC2C1(C)CCCC(C)(C1CC3)C(=O)OC,"InChI=1S/C22H34O4/c1-20-9-5-10-21(2,19(24)26-4)16(20)8-11-22-12-14(6-7-17(20)22)15(13-22)18(23)25-3/h14-17H,5-13H2,1-4H3",USASLHCCADYMNF,UHFFFAOYSA,N,"Dimethyl ent-16alpha-kaurane-17,19-dioate",USASLHCCADYMNF-UHFFFAOYSA-N
HMDB36316,1216.587683116,C59H92O26,C\C=C(\C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2CC1(C)C,"InChI=1S/C59H92O26/c1-11-24(2)49(75)85-47-46(72)59(23-78-25(3)61)27(18-54(47,4)5)26-12-13-32-56(8)16-15-34(55(6,7)31(56)14-17-57(32,9)58(26,10)19-33(59)64)80-53-45(84-51-40(70)38(68)37(67)30(20-60)79-51)42(41(71)43(82-53)48(73)74)81-52-44(36(66)29(63)22-77-52)83-50-39(69)35(65)28(62)21-76-50/h11-12,27-47,50-53,60,62-72H,13-23H2,1-10H3,(H,73,74)/b24-11-",WAICKBYMIHVFCN,MYKKPKGFSA,N,Assamsaponin E,WAICKBYMIHVFCN-MYKKPKGFSA-N
HMDB36317,546.267626808,C26H42O12,CC12CCCC(C)(C1C(O)C(O)C13CC(O)(COC4OC(CO)C(O)C(O)C4O)C(O)(C1)CCC23)C(O)=O,"InChI=1S/C26H42O12/c1-22-5-3-6-23(2,21(33)34)18(22)17(31)19(32)24-9-25(35,7-4-13(22)24)26(36,10-24)11-37-20-16(30)15(29)14(28)12(8-27)38-20/h12-20,27-32,35-36H,3-11H2,1-2H3,(H,33,34)",HVFLAHBPOQXZBM,UHFFFAOYSA,N,Canavalioside,HVFLAHBPOQXZBM-UHFFFAOYSA-N
HMDB36318,388.209718,C19H32O8,CC(CCC1C(CO)=CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H32O8/c1-10(26-18-17(25)16(24)15(23)14(9-21)27-18)4-5-13-11(8-20)6-12(22)7-19(13,2)3/h6,10,13-18,20-21,23-25H,4-5,7-9H2,1-3H3",ZZFQYZCZBBRLTI,UHFFFAOYSA,N,"9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside",ZZFQYZCZBBRLTI-UHFFFAOYSA-N
HMDB36319,670.13225554,C35H26O14,CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(=C(OC1OCC(O)C(O)C1O)C=C3O)C1=C2C(=O)C3=C(C(O)=CC(C)=C3)C(=O)C2=C(O)C=C1O,"InChI=1S/C35H26O14/c1-10-3-12-21(14(36)5-10)32(45)24-17(39)7-16(38)23(27(24)29(12)42)26-20(49-35-34(47)31(44)19(41)9-48-35)8-18(40)25-28(26)30(43)13-4-11(2)6-15(37)22(13)33(25)46/h3-8,19,31,34-41,44,47H,9H2,1-2H3",RTWSMOOOURBUSZ,UHFFFAOYSA,N,(R)-Skyrin 2-xyloside,RTWSMOOOURBUSZ-UHFFFAOYSA-N
HMDB36320,700.142820226,C36H28O15,CC1=CC2=C(C(O)=C1)C(=O)C1=C(O)C=C(O)C(=C1C2=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C2=C1C(=O)C1=CC(C)=CC(O)=C1C2=O,"InChI=1S/C36H28O15/c1-10-3-12-21(14(38)5-10)32(46)24-17(41)7-16(40)23(27(24)29(12)43)26-19(50-36-35(49)34(48)31(45)20(9-37)51-36)8-18(42)25-28(26)30(44)13-4-11(2)6-15(39)22(13)33(25)47/h3-8,20,31,34-42,45,48-49H,9H2,1-2H3",POVQNEYQMVIEHN,UHFFFAOYSA,N,(S)-Skyrin 2-glucoside,POVQNEYQMVIEHN-UHFFFAOYSA-N
HMDB36321,778.247285272,C40H42O16,OCC1OC(OC2=CC(=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C2C(OC3=CC(O)=CC(\C=C\C4=CC=C(O)C=C4)=C23)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1+",RPVPDEHWWUFGBW,DAFODLJHSA,N,"(7E,7'R,8'R)-e-Viniferin 3',5'-diglucoside",RPVPDEHWWUFGBW-DAFODLJHSA-N
HMDB36322,778.247285296,C40H42O16,OCC1OC(OC2=CC(=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C2C(OC3=C2C(\C=C/C2=CC=C(O)C=C2)=CC(O)=C3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1-",RPVPDEHWWUFGBW,RJRFIUFISA,N,"(7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside",RPVPDEHWWUFGBW-RJRFIUFISA-N
HMDB36323,686.278585424,C32H46O16,COC1=CC(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=CC=C1O,"InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3",SBVBJPHMDABKJV,UHFFFAOYSA,N,"Secoisolariciresinol 9,9'-diglucoside",SBVBJPHMDABKJV-UHFFFAOYSA-N
HMDB36324,368.125988372,C21H20O6,COC1=C(CC=C(C)C)C(O)=CC(O)=C1C1=COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C21H20O6/c1-11(2)4-6-13-16(23)9-17(24)19(21(13)26-3)15-10-27-18-8-12(22)5-7-14(18)20(15)25/h4-5,7-10,22-24H,6H2,1-3H3",SSDIPYMSXRNGMZ,UHFFFAOYSA,N,Glicoricone,SSDIPYMSXRNGMZ-UHFFFAOYSA-N
HMDB36325,277.167793607,C16H23NO3,COC1=CC(CNC(=O)CC\C=C\C(C)C)=CC=C1O,"InChI=1S/C16H23NO3/c1-12(2)6-4-5-7-16(19)17-11-13-8-9-14(18)15(10-13)20-3/h4,6,8-10,12,18H,5,7,11H2,1-3H3,(H,17,19)/b6-4+",UTTHCQMKBGTYNK,GQCTYLIASA,N,Dinorcapsaicin,UTTHCQMKBGTYNK-GQCTYLIASA-N
HMDB36326,279.183443671,C16H25NO3,CCCCCCCC(=O)NCC1=CC=C(O)C(OC)=C1,"InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-16(19)17-12-13-9-10-14(18)15(11-13)20-2/h9-11,18H,3-8,12H2,1-2H3,(H,17,19)",JYZDUDMWJFJCON,UHFFFAOYSA,N,N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide,JYZDUDMWJFJCON-UHFFFAOYSA-N
HMDB36327,291.183443671,C17H25NO3,COC1=CC(CNC(=O)CCC\C=C\C(C)C)=CC=C1O,"InChI=1S/C17H25NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h5,7,9-11,13,19H,4,6,8,12H2,1-3H3,(H,18,20)/b7-5+",UTNZMGHHFHHIAY,FNORWQNLSA,N,Norcapsaicin,UTNZMGHHFHHIAY-FNORWQNLSA-N
HMDB36328,293.199093735,C17H27NO3,COC1=CC(CNC(=O)CCCCCC(C)C)=CC=C1O,"InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)",VQEONGKQWIFHMN,UHFFFAOYSA,N,Nordihydrocapsaicin,VQEONGKQWIFHMN-UHFFFAOYSA-N
HMDB36329,319.214743799,C19H29NO3,COC1=CC(CNC(=O)CCCCC\C=C\C(C)C)=CC=C1O,"InChI=1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+",JKIHLSTUOQHAFF,VQHVLOKHSA,N,Homocapsaicin,JKIHLSTUOQHAFF-VQHVLOKHSA-N
HMDB36330,321.230393863,C19H31NO3,COC1=CC(CNC(=O)CCCCCCCC(C)C)=CC=C1O,"InChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)",AKDLSISGGARWFP,UHFFFAOYSA,N,Homodihydrocapsaicin,AKDLSISGGARWFP-UHFFFAOYSA-N
HMDB36331,353.111066589,C16H19NO8,CC(=O)OCC1OC(OC(C#N)C2=CC(O)=CC=C2)C(O)C(O)C1O,"InChI=1S/C16H19NO8/c1-8(18)23-7-12-13(20)14(21)15(22)16(25-12)24-11(6-17)9-3-2-4-10(19)5-9/h2-5,11-16,19-22H,7H2,1H3",NIVXKMKLZUXGSY,UHFFFAOYSA,N,6''-O-Acetylholocalin,NIVXKMKLZUXGSY-UHFFFAOYSA-N
HMDB36332,550.168641046,C26H30O13,CC(=O)C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(COC(=O)C3=CC=C(O)C=C3)C2O)C=C1,"InChI=1S/C26H30O13/c1-13(28)14-4-8-17(9-5-14)37-24-21(20(31)19(30)18(10-27)38-24)39-25-22(32)26(34,12-36-25)11-35-23(33)15-2-6-16(29)7-3-15/h2-9,18-22,24-25,27,29-32,34H,10-12H2,1H3",MQJMZJDOAGOKBY,UHFFFAOYSA,N,4'-Hydroxyacetophenone 4'-[4-hydroxybenzoyl-(->5)-apiosyl-(1->2)-glucoside],MQJMZJDOAGOKBY-UHFFFAOYSA-N
HMDB36333,610.189770418,C28H34O15,COC1=CC(=CC(OC)=C1O)C(=O)OCC1(O)COC(OC2C(O)C(O)C(CO)OC2OC2=CC=C(C=C2)C(C)=O)C1O,"InChI=1S/C28H34O15/c1-13(30)14-4-6-16(7-5-14)41-26-23(22(33)21(32)19(10-29)42-26)43-27-24(34)28(36,12-40-27)11-39-25(35)15-8-17(37-2)20(31)18(9-15)38-3/h4-9,19,21-24,26-27,29,31-34,36H,10-12H2,1-3H3",DPDBFIMFRJQAKL,UHFFFAOYSA,N,"4'-Hydroxyacetophenone 4'-[4-hydroxy-3,5-dimethoxybenzoyl-(->5)-apiosyl-(1->2)-glucoside]",DPDBFIMFRJQAKL-UHFFFAOYSA-N
HMDB36334,427.147846025,C19H25NO10,OCC1OC(OC(C#N)C2=CC=CC=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O,"InChI=1S/C19H25NO10/c20-6-11(10-4-2-1-3-5-10)28-17-15(14(24)13(23)12(7-21)29-17)30-18-16(25)19(26,8-22)9-27-18/h1-5,11-18,21-26H,7-9H2",UXSSAGLYQCOTML,UHFFFAOYSA,N,(S)-2-Hydroxy-2-phenylacetonitrile O-[b-D-apiosyl-(1->2)-b-D-glucoside],UXSSAGLYQCOTML-UHFFFAOYSA-N
HMDB36335,388.115817604,C20H20O8,OCC1OC(OC2=CC(O)=C3C(C=CC4=CC=C(O)C=C34)=C2)C(O)C(O)C1O,"InChI=1S/C20H20O8/c21-8-15-17(24)18(25)19(26)20(28-15)27-12-5-10-2-1-9-3-4-11(22)6-13(9)16(10)14(23)7-12/h1-7,15,17-26H,8H2",OLRKGPYAYTYJGF,UHFFFAOYSA,N,"2,4,6-Phenanthrenetriol 2-O-b-D-glucoside",OLRKGPYAYTYJGF-UHFFFAOYSA-N
HMDB36336,608.116605476,C30H24O14,OC1CC2=C(O)C=C3OC4(OC5=CC(O)=CC(O)=C5C(C4O)C3=C2OC1C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C30H24O14/c31-11-5-14(33)22-20(6-11)43-30(10-3-17(36)26(40)18(37)4-10)29(41)24(22)23-21(44-30)8-13(32)12-7-19(38)27(42-28(12)23)9-1-15(34)25(39)16(35)2-9/h1-6,8,19,24,27,29,31-41H,7H2",SJDDGZBVGOKCKT,UHFFFAOYSA,N,Prodelphinidin A1,SJDDGZBVGOKCKT-UHFFFAOYSA-N
HMDB36337,824.383050494,C41H60O17,CC1=C2C=CC3C4(C)CC(O)C(C(C)(O)C(O)\C=C\C(C)(C)O)C4(C)CC(=O)C3(C)C2=CC(O)=C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C41H60O17/c1-17-18-8-9-24-38(4)13-21(44)34(41(7,54)25(45)10-11-37(2,3)53)39(38,5)14-26(46)40(24,6)19(18)12-20(43)33(17)58-36-32(52)30(50)28(48)23(57-36)16-55-35-31(51)29(49)27(47)22(15-42)56-35/h8-12,21-25,27-32,34-36,42-45,47-54H,13-16H2,1-7H3/b11-10+",ASSSZPRIMUKILU,ZHACJKMWSA,N,"6,7-Didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside]",ASSSZPRIMUKILU-ZHACJKMWSA-N
HMDB36338,704.34079175,C37H52O13,CC(=O)OC(C)(C)\C=C\C(O)C(C)(O)C1C(O)CC2(C)C3C=CC4=C(C)C(OC5OC(CO)C(O)C(O)C5O)=C(O)C=C4C3(C)C(=O)CC12C,"InChI=1S/C37H52O13/c1-17-19-9-10-24-34(5)14-22(41)31(37(8,47)25(42)11-12-33(3,4)50-18(2)39)35(34,6)15-26(43)36(24,7)20(19)13-21(40)30(17)49-32-29(46)28(45)27(44)23(16-38)48-32/h9-13,22-25,27-29,31-32,38,40-42,44-47H,14-16H2,1-8H3/b12-11+",VQSXXDZNKZUVNA,VAWYXSNFSA,N,"25-Acetyl-6,7-didehydrofevicordin F 3-glucoside",VQSXXDZNKZUVNA-VAWYXSNFSA-N
HMDB36339,866.39361518,C43H62O18,CC(=O)OC(C)(C)\C=C\C(O)C(C)(O)C1C(O)CC2(C)C3C=CC4=C(C)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)=C(O)C=C4C3(C)C(=O)CC12C,"InChI=1S/C43H62O18/c1-18-20-9-10-26-40(5)14-23(47)36(43(8,56)27(48)11-12-39(3,4)61-19(2)45)41(40,6)15-28(49)42(26,7)21(20)13-22(46)35(18)60-38-34(55)32(53)30(51)25(59-38)17-57-37-33(54)31(52)29(50)24(16-44)58-37/h9-13,23-27,29-34,36-38,44,46-48,50-56H,14-17H2,1-8H3/b12-11+",SQETUVZNOCBWJQ,VAWYXSNFSA,N,"25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside]",SQETUVZNOCBWJQ-VAWYXSNFSA-N
HMDB36340,416.204632622,C20H32O9,CCOC(=O)CC1CCC(=O)C1C\C=C\CCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C20H32O9/c1-2-27-16(23)10-12-7-8-14(22)13(12)6-4-3-5-9-28-20-19(26)18(25)17(24)15(11-21)29-20/h3-4,12-13,15,17-21,24-26H,2,5-11H2,1H3/b4-3+",DALGUVBWVCFIPV,ONEGZZNKSA,N,Ethyl 7-epi-12-hydroxyjasmonate glucoside,DALGUVBWVCFIPV-ONEGZZNKSA-N
HMDB36341,802.70504074,C51H94O6,CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC1=CC(C)OC1=O)C1CCC(O1)C(O)CCCCCCCCCCCC,"InChI=1S/C51H94O6/c1-4-6-8-10-12-14-16-17-18-24-28-32-36-40-50(53)57-48(39-35-31-27-23-20-19-21-25-29-33-37-45-43-44(3)55-51(45)54)49-42-41-47(56-49)46(52)38-34-30-26-22-15-13-11-9-7-5-2/h43-44,46-49,52H,4-42H2,1-3H3",GBSUIQLRRKMVMZ,UHFFFAOYSA,N,15-Palmitoylsolamin,GBSUIQLRRKMVMZ-UHFFFAOYSA-N
HMDB36342,828.720690804,C53H96O6,CCCCCCCCCCCCC(O)C1CCC(O1)C(CCCCCCCCCCCCC1=CC(C)OC1=O)OC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1S/C53H96O6/c1-4-6-8-10-12-14-16-17-18-19-20-26-30-34-38-42-52(55)59-50(41-37-33-29-25-22-21-23-27-31-35-39-47-45-46(3)57-53(47)56)51-44-43-49(58-51)48(54)40-36-32-28-24-15-13-11-9-7-5-2/h17-18,45-46,48-51,54H,4-16,19-44H2,1-3H3/b18-17+",CYNQUXCKSVIOBA,ISLYRVAYSA,N,15-Oleoylsolamin,CYNQUXCKSVIOBA-ISLYRVAYSA-N
HMDB36343,326.07903818,C18H14O6,CC1(C)OC2=C(O)C3=C(C=C2C=C1)C(=O)C1=C(O)C=C(O)C=C1O3,"InChI=1S/C18H14O6/c1-18(2)4-3-8-5-10-14(21)13-11(20)6-9(19)7-12(13)23-17(10)15(22)16(8)24-18/h3-7,19-20,22H,1-2H3",WBKWHYDUDXOZIU,UHFFFAOYSA,N,O-Demethylforbexanthone,WBKWHYDUDXOZIU-UHFFFAOYSA-N
HMDB36344,384.323959896,C23H44O4,CCCCCCCCCCCCCCCCCC(=O)CC(O)COC(C)=O,"InChI=1S/C23H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h23,26H,3-20H2,1-2H3",ZLVJJMWEIHRVLD,UHFFFAOYSA,N,Tetrahydropersin,ZLVJJMWEIHRVLD-UHFFFAOYSA-N
HMDB36345,252.281701152,C18H36,CCCCCCCCCC(CC)C1CCCCC1,"InChI=1S/C18H36/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h17-18H,3-16H2,1-2H3",ZDMYCNLANBQLOI,UHFFFAOYSA,N,3-Cyclohexyldodecane,ZDMYCNLANBQLOI-UHFFFAOYSA-N
HMDB36346,220.037173366,C11H8O5,CC1=CC(=O)C2=C(C=C(O)C=C2O1)C(O)=O,"InChI=1S/C11H8O5/c1-5-2-8(13)10-7(11(14)15)3-6(12)4-9(10)16-5/h2-4,12H,1H3,(H,14,15)",ZCNVIPLKMDPDHM,UHFFFAOYSA,N,7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid,ZCNVIPLKMDPDHM-UHFFFAOYSA-N
HMDB36347,242.094294314,C15H14O3,OC(C(O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C15H14O3/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10,13,15-16,18H",QOFVVEZPQRISRL,UHFFFAOYSA,N,"2,3-Dihydroxy-1,3-diphenyl-1-propanone",QOFVVEZPQRISRL-UHFFFAOYSA-N
HMDB36348,561.124430508,C26H25O14,COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=CC(O)=C2,"InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)29)23-24(40-26-22(32)21(31)20(30)17(8-27)39-26)11-7-16(25(33)34)37-12-5-10(28)6-13(38-23)18(11)12/h3-7,17,20-22,26-27,30-32H,8H2,1-2H3,(H2-,28,29,33,34)/p+1/t17-,20-,21+,22-,26+/m1/s1",QVULQDHVHOUFCX,AQFMKAHKSA,O,Vitisin A,QVULQDHVHOUFCX-AQFMKAHKSA-O
HMDB36349,652.091178586,C27H24O19,OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C2OC(=O)C3=C(C4C(CC(=O)OC4C(=O)OC1C2O)C(O)=O)C(O)=C(O)C(O)=C3,"InChI=1S/C27H24O19/c28-5-12-20-19(36)22(27(42-12)46-24(39)6-1-9(29)16(33)10(30)2-6)45-25(40)8-3-11(31)17(34)18(35)14(8)15-7(23(37)38)4-13(32)43-21(15)26(41)44-20/h1-3,7,12,15,19-22,27-31,33-36H,4-5H2,(H,37,38)",KFDXRACNJCIDON,UHFFFAOYSA,N,Amlaic acid,KFDXRACNJCIDON-UHFFFAOYSA-N
HMDB36350,183.950883016,C4H8S4,CSSSSCC=C,"InChI=1S/C4H8S4/c1-3-4-6-8-7-5-2/h3H,1,4H2,2H3",BHIKXWJMZCALEK,UHFFFAOYSA,N,Methyl 2-propenyl tetrasulfide,BHIKXWJMZCALEK-UHFFFAOYSA-N
HMDB36351,215.922953706,C4H8S5,CSSSSSCC=C,"InChI=1S/C4H8S5/c1-3-4-6-8-9-7-5-2/h3H,1,4H2,2H3",BFVOYECMMKLFQJ,UHFFFAOYSA,N,Methyl 2-propenyl pentasulfide,BFVOYECMMKLFQJ-UHFFFAOYSA-N
HMDB36352,906.267626808,C56H42O12,OC1=CC=C(C=C1)C1OC2=C(C1C1=CC(O)=CC(O)=C1)C1=C(C(C3C1C(C1=CC=C(O)C=C1)C1=C(C=C(O)C=C1O)C1C(OC4=C1C3=CC(O)=C4)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)C(O)=C2,"InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-48-39(21-37(64)23-42(48)67-56(50)28-7-15-33(60)16-8-28)49-45(26-3-11-31(58)12-4-26)51-41(66)24-43-52(54(51)53(44)49)46(29-17-34(61)19-35(62)18-29)55(68-43)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H",LSNFJDFYAZDWFX,UHFFFAOYSA,N,Viniferol A,LSNFJDFYAZDWFX-UHFFFAOYSA-N
HMDB36353,710.221070546,C36H38O15,COC1=CC(\C=C\C(=O)OCC(COC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)OC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O,"InChI=1S/C36H38O15/c1-43-25-13-21(14-26(44-2)34(25)40)7-10-31(37)49-19-24(51-33(39)12-9-23-17-29(47-5)36(42)30(18-23)48-6)20-50-32(38)11-8-22-15-27(45-3)35(41)28(16-22)46-4/h7-18,24,40-42H,19-20H2,1-6H3/b10-7+,11-8+,12-9+",FEUWBELGELLWPV,SRDSWEMOSA,N,Glycerol trisinapate,FEUWBELGELLWPV-SRDSWEMOSA-N
HMDB36354,387.065772655,C12H21NO9S2,CCC\C=C\C(\SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h4-5,7,9-12,14-17H,2-3,6H2,1H3,(H,18,19,20)/b5-4+,13-8+",HCVFEFUQVMWIGR,VDXACTLNSA,N,1-Pentenyl glucosinolate,HCVFEFUQVMWIGR-VDXACTLNSA-N
HMDB36355,403.097072783,C13H25NO9S2,CCC(C)CC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C13H25NO9S2/c1-3-7(2)4-5-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(6-15)22-13/h7-8,10-13,15-18H,3-6H2,1-2H3,(H,19,20,21)/b14-9+",ISQHSPNQOCVWOY,NTEUORMPSA,N,3-Methylpentyl glucosinolate,ISQHSPNQOCVWOY-NTEUORMPSA-N
HMDB36356,378.277009704,C23H38O4,CCCCCCCCCCCC(O)CC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,20,24,26H,3-13,15,18H2,1-2H3",HQXJXOYLPWCMGL,UHFFFAOYSA,N,[12]-Gingerol,HQXJXOYLPWCMGL-UHFFFAOYSA-N
HMDB36357,750.455427576,C41H66O12,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)53-33-31(46)29(44)24(20-50-33)52-34-32(47)30(45)28(43)23(19-42)51-34/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)",LYHMQMDZVIXWAJ,UHFFFAOYSA,N,Oleanolic acid 3-[glucosyl-(1->4)-xyloside],LYHMQMDZVIXWAJ-UHFFFAOYSA-N
HMDB36358,764.434692134,C41H64O13,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)",HWYBGIDROCYPOE,UHFFFAOYSA,N,Momordin I,HWYBGIDROCYPOE-UHFFFAOYSA-N
HMDB36359,317.162708229,C18H23NO4,CC1=C\C(OC1=O)=C\CCCNCCC\C=C1/OC(=O)C(C)=C1,"InChI=1S/C18H23NO4/c1-13-11-15(22-17(13)20)7-3-5-9-19-10-6-4-8-16-12-14(2)18(21)23-16/h7-8,11-12,19H,3-6,9-10H2,1-2H3/b15-7-,16-8-",UFHQEIRNGIAWOB,DUGOVBPYSA,N,Pandanamine,UFHQEIRNGIAWOB-DUGOVBPYSA-N
HMDB36360,570.272986958,C34H38N2O6,O=C(\C=C/C1C(\C=C\C2=CC3=C(OCO3)C=C2)C(C1C1=CC2=C(OCO2)C=C1)C(=O)N1CCCCC1)N1CCCCC1,"InChI=1S/C34H38N2O6/c37-31(35-15-3-1-4-16-35)14-11-25-26(10-7-23-8-12-27-29(19-23)41-21-39-27)33(34(38)36-17-5-2-6-18-36)32(25)24-9-13-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,32-33H,1-6,15-18,21-22H2/b10-7+,14-11-",MWYIPUPDBMGRSR,KSMSJBKCSA,N,Pipercyclobutanamide A,MWYIPUPDBMGRSR-KSMSJBKCSA-N
HMDB36361,596.288637022,C36H40N2O6,O=C(\C=C/C1C(\C=C\C=C\C2=CC3=C(OCO3)C=C2)C(C1C1=CC2=C(OCO2)C=C1)C(=O)N1CCCCC1)N1CCCCC1,"InChI=1S/C36H40N2O6/c39-33(37-17-5-1-6-18-37)16-13-28-27(10-4-3-9-25-11-14-29-31(21-25)43-23-41-29)35(36(40)38-19-7-2-8-20-38)34(28)26-12-15-30-32(22-26)44-24-42-30/h3-4,9-16,21-22,27-28,34-35H,1-2,5-8,17-20,23-24H2/b9-3+,10-4+,16-13-",QFSZYBIYCZLMMS,XTZMCFBISA,N,Pipercyclobutanamide B,QFSZYBIYCZLMMS-XTZMCFBISA-N
HMDB36362,912.508251006,C47H76O17,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-37(57)34(54)32(52)26(62-40)21-60-38-36(56)33(53)31(51)25(19-48)61-38)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)63-39-35(55)30(50)24(49)20-59-39/h8,23-40,48-57H,9-21H2,1-7H3",NFIQKUQYFSTGFU,UHFFFAOYSA,N,28-[Glucosyl-(1->6)-glucosyl]oleanolic acid 3-arabinoside,NFIQKUQYFSTGFU-UHFFFAOYSA-N
HMDB36363,622.480854466,C37H66O7,CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCC(O)CCCC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-16-13-12-14-19-30(38)20-17-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3",WWLPFTIHLMRECR,UHFFFAOYSA,N,4-Deoxy-6-hydroxysquamotacin,WWLPFTIHLMRECR-UHFFFAOYSA-N
HMDB36364,204.187800768,C15H24,CC(C)=CCCC1(C)C2CCC(C2)C1=C,"InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3",PGBNIHXXFQBCPU,UHFFFAOYSA,N,beta-Santalene,PGBNIHXXFQBCPU-UHFFFAOYSA-N
HMDB36365,698.424127448,C37H62O12,CC(C)C(O)(CO)CCC(C)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C37H62O12/c1-18(2)36(47,17-39)10-9-19(3)26-20(40)14-33(5)22-7-8-23-34(6,31(46)49-30-29(45)28(44)27(43)21(15-38)48-30)24(41)13-25(42)37(23)16-35(22,37)12-11-32(26,33)4/h18-30,38-45,47H,7-17H2,1-6H3",AJYLEJBHVLQJTI,UHFFFAOYSA,N,Cyclopassifloside X,AJYLEJBHVLQJTI-UHFFFAOYSA-N
HMDB36366,616.194461866,C34H32O11,OCC1OC(OC2=CC(=CC(O)=C2)C2C(OC3=C2C=C(\C=C\C2=CC(O)=CC(O)=C2)C=C3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C34H32O11/c35-16-28-30(40)31(41)32(42)34(45-28)43-25-13-20(12-24(39)15-25)29-26-11-17(1-2-18-9-22(37)14-23(38)10-18)3-8-27(26)44-33(29)19-4-6-21(36)7-5-19/h1-15,28-42H,16H2/b2-1+",ZJIBDVBTKQSZQZ,OWOJBTEDSA,N,trans-delta-Viniferin 3''-glucoside,ZJIBDVBTKQSZQZ-OWOJBTEDSA-N
HMDB36367,616.194461866,C34H32O11,OCC1OC(OC2=CC(\C=C\C3=CC4=C(OC(C4C4=CC(O)=CC(O)=C4)C4=CC=C(O)C=C4)C=C3)=CC(O)=C2)C(O)C(O)C1O,"InChI=1S/C34H32O11/c35-16-28-30(40)31(41)32(42)34(45-28)43-25-10-18(9-22(37)15-25)2-1-17-3-8-27-26(11-17)29(20-12-23(38)14-24(39)13-20)33(44-27)19-4-6-21(36)7-5-19/h1-15,28-42H,16H2/b2-1+",FICNVOULKMUCLH,OWOJBTEDSA,N,trans-delta-Viniferin 3'''-glucoside,FICNVOULKMUCLH-OWOJBTEDSA-N
HMDB36368,382.28718046,C26H38O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=CC(O)=CC=C2O1,"InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+",GJJVAFUKOBZPCB,ZGRPYONQSA,N,"(R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol",GJJVAFUKOBZPCB-ZGRPYONQSA-N
HMDB36369,311.115758037,C18H17NO4,COC(C1=CC=C(O)C=C1)C1=NC=CC2=CC(OC)=C(O)C=C12,"InChI=1S/C18H17NO4/c1-22-16-9-12-7-8-19-17(14(12)10-15(16)21)18(23-2)11-3-5-13(20)6-4-11/h3-10,18,20-21H,1-2H3",UGPTYMLHEHFVJS,UHFFFAOYSA,N,Annocherine B,UGPTYMLHEHFVJS-UHFFFAOYSA-N
HMDB36370,238.051977268,C9H18OS3,CCCSSC(CC)S(=O)CC=C,"InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h5,9H,2,4,6-8H2,1,3H3",RXTXDUPUPZPPTO,UHFFFAOYSA,N,1-(2-Propenylsulfinyl)propyl propyl disulfide,RXTXDUPUPZPPTO-UHFFFAOYSA-N
HMDB36371,388.334130652,C26H44O2,CCCCCCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1,"InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21,25,27H,2-15,19,22-23H2,1H3",HMNUIWPZZDBRSS,UHFFFAOYSA,N,3-Hydroxy-1-phenyl-1-eicosanone,HMNUIWPZZDBRSS-UHFFFAOYSA-N
HMDB36372,236.036327204,C9H16OS3,CCC(SS\C=C\C)S(=O)CC=C,"InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,7,9H,2,6,8H2,1,3H3/b7-4+",VNGASBNMHZVNNX,QPJJXVBHSA,N,1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide,VNGASBNMHZVNNX-QPJJXVBHSA-N
HMDB36373,236.036327204,C9H16OS3,CCC(SSCC=C)S(=O)\C=C\C,"InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,8-9H,1,6-7H2,2-3H3/b8-5+",ZNCVCGZAKFLEMH,VMPITWQZSA,N,2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide,ZNCVCGZAKFLEMH-VMPITWQZSA-N
HMDB36374,212.036327204,C7H16OS3,CCCS(=O)C(CC)SSC,"InChI=1S/C7H16OS3/c1-4-6-11(8)7(5-2)10-9-3/h7H,4-6H2,1-3H3",JKVKTSYWSXATHW,UHFFFAOYSA,N,Methyl 1-(propylsulfinyl)propyl disulfide,JKVKTSYWSXATHW-UHFFFAOYSA-N
HMDB36375,238.051977268,C9H18OS3,CCCS(=O)C(CC)SSCC=C,"InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4,9H,1,5-8H2,2-3H3",KMCDWQRCCFTFPU,UHFFFAOYSA,N,2-Propenyl 1-(propylsulfinyl)propyl disulfide,KMCDWQRCCFTFPU-UHFFFAOYSA-N
HMDB36376,512.152990982,C23H28O13,COC1=C(O)C=CC(CC(CO)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1,"InChI=1S/C23H28O13/c1-33-16-5-10(2-3-13(16)25)4-12(8-24)35-23-21(31)20(30)19(29)17(36-23)9-34-22(32)11-6-14(26)18(28)15(27)7-11/h2-3,5-7,12,17,19-21,23-31H,4,8-9H2,1H3",DNVSCVOVXAMHOG,UHFFFAOYSA,N,"3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside)",DNVSCVOVXAMHOG-UHFFFAOYSA-N
HMDB36377,382.089996796,C17H18O10,CC1=CC(=O)C2=C(C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1)C(O)=O,"InChI=1S/C17H18O10/c1-6-2-9(19)12-8(16(23)24)3-7(4-10(12)25-6)26-17-15(22)14(21)13(20)11(5-18)27-17/h2-4,11,13-15,17-18,20-22H,5H2,1H3,(H,23,24)",YXPDWQIPHUQHKB,UHFFFAOYSA,N,7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside,YXPDWQIPHUQHKB-UHFFFAOYSA-N
HMDB36378,507.161484716,C23H27N2O11,OCC1OC(OC2=C(O)C=C3C(CC\[N+]3=C\C=C3/CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)C(O)C1O,"InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-2-4-25(14(11)8-15(16)27)3-1-10-5-12(21(31)32)24-13(6-10)22(33)34/h1,3,5,7-8,13,17-20,23,26,28-30H,2,4,6,9H2,(H3,27,31,32,33,34)/p+1",LHFIVCHVGBRMCE,UHFFFAOYSA,O,2-Decarboxybetanin,LHFIVCHVGBRMCE-UHFFFAOYSA-O
HMDB36379,593.161878646,C26H29N2O14,OC1C(COC(=O)CC(O)=O)OC(OC2=C(O)C=C3C(CC\[N+]3=C\C=C3/CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)C1O,"InChI=1S/C26H28N2O14/c29-16-8-15-12(2-4-28(15)3-1-11-5-13(24(36)37)27-14(6-11)25(38)39)7-17(16)41-26-23(35)22(34)21(33)18(42-26)10-40-20(32)9-19(30)31/h1,3,5,7-8,14,18,21-23,26,33-35H,2,4,6,9-10H2,(H4,29,30,31,36,37,38,39)/p+1",OEXQKBBFDKRFJS,UHFFFAOYSA,O,2-Decarboxyphyllocactin,OEXQKBBFDKRFJS-UHFFFAOYSA-O
HMDB36380,158.057908808,C7H10O4,COC1=C(C)OCC(O)C1=O,"InChI=1S/C7H10O4/c1-4-7(10-2)6(9)5(8)3-11-4/h5,8H,3H2,1-2H3",JOWYHBUWSWRYOG,UHFFFAOYSA,N,"xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one",JOWYHBUWSWRYOG-UHFFFAOYSA-N
HMDB36381,313.131408101,C18H19NO4,COC1=C(O)C=CC(\C=C/C(/O)=N/CCC2=CC=C(O)C=C2)=C1,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5-",NPNNKDMSXVRADT,UITAMQMPSA,N,N-cis-Feruloyltyramine,NPNNKDMSXVRADT-UITAMQMPSA-N
HMDB36382,131.094628665,C6H13NO2,CC1NCCC(O)C1O,"InChI=1S/C6H13NO2/c1-4-6(9)5(8)2-3-7-4/h4-9H,2-3H2,1H3",RMJCALHKIHCSMY,UHFFFAOYSA,N,6-Deoxyfagomine,RMJCALHKIHCSMY-UHFFFAOYSA-N
HMDB36383,175.084457909,C7H13NO4,OC1CC2NC1(O)C(O)CC2O,"InChI=1S/C7H13NO4/c9-4-2-6(11)7(12)5(10)1-3(4)8-7/h3-6,8-12H,1-2H2",DJTRTWALNSXKOG,UHFFFAOYSA,N,Calystegine B5,DJTRTWALNSXKOG-UHFFFAOYSA-N
HMDB36384,159.089543287,C7H13NO3,OC1CC(O)C2(O)CCC1N2,"InChI=1S/C7H13NO3/c9-5-3-6(10)7(11)2-1-4(5)8-7/h4-6,8-11H,1-3H2",FSMRMYVITPBGGD,UHFFFAOYSA,N,Calystegine A7,FSMRMYVITPBGGD-UHFFFAOYSA-N
HMDB36385,178.099379692,C11H14O2,COC(=O)CCCC1=CC=CC=C1,"InChI=1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3",YRYZGVBKMWFWGT,UHFFFAOYSA,N,Methyl 4-phenylbutanoate,YRYZGVBKMWFWGT-UHFFFAOYSA-N
HMDB36386,206.13067982,C13H18O2,CCCC(=O)OC(CC)C1=CC=CC=C1,"InChI=1S/C13H18O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3",SNUDRKNHOSAKGS,UHFFFAOYSA,N,1-Phenylpropyl butyrate,SNUDRKNHOSAKGS-UHFFFAOYSA-N
HMDB36387,266.13067982,C18H18O2,O=C(OCCCC1=CC=CC=C1)\C=C\C1=CC=CC=C1,"InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2/b14-13+",LYRAHIUDQRJGGZ,BUHFOSPRSA,N,3-Phenylpropyl cinnamate,LYRAHIUDQRJGGZ-BUHFOSPRSA-N
HMDB36388,192.115029756,C12H16O2,CCC(=O)OCCCC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3",GTNCESCYZPMXCJ,UHFFFAOYSA,N,3-Phenylpropyl propanoate,GTNCESCYZPMXCJ-UHFFFAOYSA-N
HMDB36389,220.146329884,C14H20O2,CC(C)CC(=O)OCCCC1=CC=CC=C1,"InChI=1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3",LBNFCOMOXOWXCD,UHFFFAOYSA,N,3-Phenylpropyl isovalerate,LBNFCOMOXOWXCD-UHFFFAOYSA-N
HMDB36390,234.161979948,C15H22O2,CCCCCC(=O)OCCCC1=CC=CC=C1,"InChI=1S/C15H22O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-7,9-10H,2-3,5,8,11-13H2,1H3",RSOGLEKUVSFLMO,UHFFFAOYSA,N,3-Phenylpropyl hexanoate,RSOGLEKUVSFLMO-UHFFFAOYSA-N
HMDB36391,206.13067982,C13H18O2,CCCC(=O)OC(C)CC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-3-7-13(14)15-11(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3",ANJRGSHRMWLHFZ,UHFFFAOYSA,N,alpha-Methylphenethyl butyrate,ANJRGSHRMWLHFZ-UHFFFAOYSA-N
HMDB36392,234.161979948,C15H22O2,C\C(=C/CCC1(C)C2CC1C(C)=CC2)C(O)=O,"InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5+",CTORLPNPQPAKGI,VZUCSPMQSA,N,(Z)-alpha-Bergamotenoic acid,CTORLPNPQPAKGI-VZUCSPMQSA-N
HMDB36394,205.095022595,C8H15NO5,CN1C2C(O)CC1(O)C(O)C(O)C2O,"InChI=1S/C8H15NO5/c1-9-4-3(10)2-8(9,14)7(13)6(12)5(4)11/h3-7,10-14H,2H2,1H3",XTMAEPUCHRMBTC,UHFFFAOYSA,N,N-Methylcalystegine C1,XTMAEPUCHRMBTC-UHFFFAOYSA-N
HMDB36395,158.094294314,C8H14O3,CC(C)COC(=O)CC(C)=O,"InChI=1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3",ZYXNLVMBIHVDRH,UHFFFAOYSA,N,2-Methylpropyl 3-oxobutanoate,ZYXNLVMBIHVDRH-UHFFFAOYSA-N
HMDB36396,172.109944378,C9H16O3,CC(C)CCOC(=O)CC(C)=O,"InChI=1S/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3",XHRGPLDMNNGHCX,UHFFFAOYSA,N,3-Methylbutyl 3-oxobutanoate,XHRGPLDMNNGHCX-UHFFFAOYSA-N
HMDB36397,754.247285296,C38H42O16,CC(=O)C1=C(O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=CC=C2C(=C1C)C1=C(C)C(C(C)=O)=C(O)C2=C1C=CC=C2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C38H42O16/c1-13-23(15(3)41)31(45)27-17(7-5-9-19(27)51-37-35(49)33(47)29(43)21(11-39)53-37)25(13)26-14(2)24(16(4)42)32(46)28-18(26)8-6-10-20(28)52-38-36(50)34(48)30(44)22(12-40)54-38/h5-10,21-22,29-30,33-40,43-50H,11-12H2,1-4H3/t21-,22-,29-,30-,33+,34+,35-,36-,37-,38-/m1/s1",IPWCRHGLKMYWOK,MRAPYLISSA,N,Labadoside,IPWCRHGLKMYWOK-MRAPYLISSA-N
HMDB36398,422.121296924,C20H22O10,CC(=O)C1=C(O)C2=C(OC3OC(CO)C(O)C(O)C3O)C=C(C=C2C=C1C)C(O)=O,"InChI=1S/C20H22O10/c1-7-3-9-4-10(19(27)28)5-11(14(9)16(24)13(7)8(2)22)29-20-18(26)17(25)15(23)12(6-21)30-20/h3-5,12,15,17-18,20-21,23-26H,6H2,1-2H3,(H,27,28)",GPYNRGVKMWCYIE,UHFFFAOYSA,N,Rumexoside,GPYNRGVKMWCYIE-UHFFFAOYSA-N
HMDB36399,340.167459256,C21H24O4,COC1=CC(O)=C(C=C1)C1CCC2=C(O1)C(CC=C(C)C)=C(O)C=C2,"InChI=1S/C21H24O4/c1-13(2)4-8-17-18(22)10-5-14-6-11-20(25-21(14)17)16-9-7-15(24-3)12-19(16)23/h4-5,7,9-10,12,20,22-23H,6,8,11H2,1-3H3",LCGZWKGCXCRMAL,UHFFFAOYSA,N,"2',7-Dihydroxy-4'-methoxy-8-prenylflavan",LCGZWKGCXCRMAL-UHFFFAOYSA-N
HMDB36400,664.273106116,C33H44O14,COC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(C=C1)C1CCC2=C(O1)C(CC=C(C)C)=C(OC1OC(CO)C(O)C(O)C1O)C=C2,"InChI=1S/C33H44O14/c1-15(2)4-8-19-21(44-32-29(40)27(38)25(36)23(13-34)46-32)11-6-16-5-10-20(43-31(16)19)18-9-7-17(42-3)12-22(18)45-33-30(41)28(39)26(37)24(14-35)47-33/h4,6-7,9,11-12,20,23-30,32-41H,5,8,10,13-14H2,1-3H3",OZZNZDSQQZCOEV,UHFFFAOYSA,N,"2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside",OZZNZDSQQZCOEV-UHFFFAOYSA-N
HMDB36401,340.167459256,C21H24O4,COC1=C(CC=C(C)C)C2=C(CCC(O2)C2=C(O)C=C(O)C=C2)C=C1,"InChI=1S/C21H24O4/c1-13(2)4-8-17-19(24-3)10-5-14-6-11-20(25-21(14)17)16-9-7-15(22)12-18(16)23/h4-5,7,9-10,12,20,22-23H,6,8,11H2,1-3H3",OAUAVKGFNHNNGR,UHFFFAOYSA,N,"2',4'-Dihydroxy-7-methoxy-8-prenylflavan",OAUAVKGFNHNNGR-UHFFFAOYSA-N
HMDB36402,220.18271539,C15H24O,C\C(CO)=C\CCC1(C)C2CC1C(C)=CC2,"InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,13-14,16H,4,7-10H2,1-3H3/b11-5-",JGINTSAQGRHGMG,WZUFQYTHSA,N,alpha-Bergamotenol,JGINTSAQGRHGMG-WZUFQYTHSA-N
HMDB36403,514.293053698,C30H42O7,CC1CC2(CC(C)C(=O)O2)C2C1C1(C)C(O)C(=O)C3=C(C(O)CC4C(C)(C)C(O)CCC34C)C1(C)C2=O,"InChI=1S/C30H42O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-18,21,24,31-32,35H,8-12H2,1-7H3",FLFQDUNKJSXJOT,UHFFFAOYSA,N,Ganosporelactone B,FLFQDUNKJSXJOT-UHFFFAOYSA-N
HMDB36404,484.39164553,C32H52O3,CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1(C)O,"InChI=1S/C32H52O3/c1-20-12-15-28(5)18-19-30(7)22(26(28)32(20,9)34)10-11-24-29(6)16-14-25(35-21(2)33)27(3,4)23(29)13-17-31(24,30)8/h10,20,23-26,34H,11-19H2,1-9H3",MAVZHIDFSWDHNP,UHFFFAOYSA,N,3beta-Acetoxy-19alpha-hydroxy-12-ursene,MAVZHIDFSWDHNP-UHFFFAOYSA-N
HMDB36405,681.439324003,C44H59NO5,CC1(COC(=O)C2=CC=CC=C2)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(OC(=O)C2=CC=C(N)C=C2)C(C)(C)C1CC4O,"InChI=1S/C44H59NO5/c1-39(2)33-25-32(46)36-31(42(33,5)19-18-35(39)50-38(48)29-13-15-30(45)16-14-29)17-20-43(6)34-26-40(3,21-22-41(34,4)23-24-44(36,43)7)27-49-37(47)28-11-9-8-10-12-28/h8-16,32-35,46H,17-27,45H2,1-7H3",PRAFKBSUIBLSSV,UHFFFAOYSA,N,7-Epizucchini factor A,PRAFKBSUIBLSSV-UHFFFAOYSA-N
HMDB36406,512.277403634,C30H40O7,CC1CC2(CC(C)C(=O)O2)C2C1C1(C)C(O)C(=O)C3=C(C(O)CC4C(C)(C)C(=O)CCC34C)C1(C)C2=O,"InChI=1S/C30H40O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-16,18,21,24,31,35H,8-12H2,1-7H3",BINIQAMAYCKIRZ,UHFFFAOYSA,N,Ganosporelactone A,BINIQAMAYCKIRZ-UHFFFAOYSA-N
HMDB36408,416.110732238,C21H20O9,CC1OC(OC2=CC3=C(C(O)=C2)C(=O)C2=C(C=C(C)C=C2O)C3=O)C(O)C(O)C1O,"InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3",DTTVUKLWJFJOHO,UHFFFAOYSA,N,Franguloside,DTTVUKLWJFJOHO-UHFFFAOYSA-N
HMDB36409,326.151809192,C20H22O4,COC1C=C(C=CC1O)C1=C(C)C(C)=CC2=CC(OC)=C(O)C=C12,"InChI=1S/C20H22O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-10,16,18,21-22H,1-4H3",HKKHLGFWQTXGPF,UHFFFAOYSA,N,"1,2-Dihydrodehydroguaiaretic acid",HKKHLGFWQTXGPF-UHFFFAOYSA-N
HMDB36410,742.268414668,C34H46O18,COC1=CC(=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1,"InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3",FFDULTAFAQRACT,UHFFFAOYSA,N,Liriodendrin,FFDULTAFAQRACT-UHFFFAOYSA-N
HMDB36411,312.099773622,C18H16O5,COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC)C(C)=C2O,"InChI=1S/C18H16O5/c1-10-14(22-3)9-16-17(18(10)20)13(19)8-15(23-16)11-4-6-12(21-2)7-5-11/h4-9,20H,1-3H3",QPWOSZAYIILLKU,UHFFFAOYSA,N,"5-Hydroxy-4',7-dimethoxy-6-methylflavone",QPWOSZAYIILLKU-UHFFFAOYSA-N
HMDB36413,204.187800768,C15H24,CC(C)C1CCC(C)C23CC=C(C)C2C13,"InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3",XUEHVOLRMXNRKQ,UHFFFAOYSA,N,alpha-Cubebene,XUEHVOLRMXNRKQ-UHFFFAOYSA-N
HMDB36414,512.277403634,C30H40O7,[H][C@]12[C@@H](O)[C@@]3(C)O[C@]4(C)CC[C@H]5[C@H](C)C(=O)O[C@@H]5C3([C@@]3([H])C(C)=C5[C@H]6OC(=O)[C@@H](C)[C@@H]6CC[C@](C)(O)[C@]5([H])[C@@]13[H])[C@@]24[H],"InChI=1S/C30H40O7/c1-11-14-7-9-27(4,34)20-16(21(14)35-25(11)32)13(3)19-17(20)18-22-28(5)10-8-15-12(2)26(33)36-24(15)30(19,22)29(6,37-28)23(18)31/h11-12,14-15,17-24,31,34H,7-10H2,1-6H3/t11-,12-,14-,15-,17-,18-,19-,20-,21-,22-,23+,24-,27-,28-,29+,30?/m0/s1",OVZIMEDUADJHPN,ADWZNWIFSA,N,Anabsin,OVZIMEDUADJHPN-ADWZNWIFSA-N
HMDB36415,496.282489012,C30H40O6,[H][C@]12C[C@@]3(C)O[C@]4(C)CC[C@H]5[C@H](C)C(=O)O[C@@H]5C3([C@@]3([H])C(C)=C5[C@H]6OC(=O)[C@@H](C)[C@@H]6CC[C@](C)(O)[C@]5([H])[C@@]13[H])[C@@]24[H],"InChI=1S/C30H40O6/c1-12-15-7-9-27(4,33)21-18(22(15)34-25(12)31)14(3)20-19(21)17-11-29(6)30(20)23(17)28(5,36-29)10-8-16-13(2)26(32)35-24(16)30/h12-13,15-17,19-24,33H,7-11H2,1-6H3/t12-,13-,15-,16-,17-,19-,20-,21-,22-,23-,24-,27-,28-,29+,30?/m0/s1",XDKZYFZYOVAAKJ,UUXZNYCFSA,N,Anabsinthin,XDKZYFZYOVAAKJ-UUXZNYCFSA-N
HMDB36416,202.172150704,C15H22,CC1=CCC2C1C1C(CCC2=C)C1(C)C,"InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,11-14H,1,6-8H2,2-4H3",HDUMORZKKNOYSS,UHFFFAOYSA,N,beta-Spathulene,HDUMORZKKNOYSS-UHFFFAOYSA-N
HMDB36417,204.187800768,C15H24,CC1CCC2C(C3=C(C)CCC13)C2(C)C,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3",SPCXZDDGSGTVAW,UHFFFAOYSA,N,1-Epi-alpha-gurjunene,SPCXZDDGSGTVAW-UHFFFAOYSA-N
HMDB36418,204.187800773,C15H24,CC1CCC2C1C1C(CCC2=C)C1(C)C,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3",ITYNGVSTWVVPIC,UHFFFAOYSA,N,(-)-Aromadendrene,ITYNGVSTWVVPIC-UHFFFAOYSA-N
HMDB36419,204.187800768,C15H24,CC1CCC2C1C1C(CC=C2C)C1(C)C,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,10-14H,5,7-8H2,1-4H3",DJAYTQZJAJXFDU,UHFFFAOYSA,N,"(1beta,4alpha,5beta,6alpha,7alpha)-9-Aromadendrene",DJAYTQZJAJXFDU-UHFFFAOYSA-N
HMDB36420,220.18271539,C15H24O,CC1(C)C2CCC(=C)C3CCC(C)(O)C3C12,"InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3",FRMCCTDTYSRUBE,UHFFFAOYSA,N,Spathulenol,FRMCCTDTYSRUBE-UHFFFAOYSA-N
HMDB36421,222.198365454,C15H26O,CC(C)C1CCC2(C)CCCC(=O)C2(C)C1,"InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3",HDVXJTYHXDVWQO,UHFFFAOYSA,N,(-)-Valeranone,HDVXJTYHXDVWQO-UHFFFAOYSA-N
HMDB36422,280.203844762,C17H28O3,CC(C)C1CC2(C)C(=O)CCCC2(C)CC1OC(C)=O,"InChI=1S/C17H28O3/c1-11(2)13-9-17(5)15(19)7-6-8-16(17,4)10-14(13)20-12(3)18/h11,13-14H,6-10H2,1-5H3",WAXPQZRMCKBKEV,UHFFFAOYSA,N,Fauronyl acetate,WAXPQZRMCKBKEV-UHFFFAOYSA-N
HMDB36423,346.141638436,C19H22O6,OCC(=C)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",KHSCYOFDKADJDJ,UHFFFAOYSA,N,Cynaropicrin,KHSCYOFDKADJDJ-UHFFFAOYSA-N
HMDB36424,224.177630012,C14H24O2,C=CCCCCCCCCC(=O)OCC=C,"InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3-4H,1-2,5-13H2",VJOZUTGJXVDWDJ,UHFFFAOYSA,N,Allyl undecylenate,VJOZUTGJXVDWDJ-UHFFFAOYSA-N
HMDB36425,384.266445018,C25H36O3,C\C(CO)=C/C=C\C=C(/C)\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1,"InChI=1S/C25H36O3/c1-18(10-7-8-11-19(2)17-26)12-9-13-20(3)22-14-23-24(4,5)15-21(27)16-25(23,6)28-22/h7-14,21-22,26-27H,15-17H2,1-6H3/b8-7-,12-9+,18-10+,19-11+,20-13-",MLVPRCYREVPVES,KWTPPHGWSA,N,Persicachrome,MLVPRCYREVPVES-KWTPPHGWSA-N
HMDB36426,240.20893014,C15H28O2,CCCCOC(=O)CCCCCCCCC=C,"InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3",GRAORJFMGCQWRN,UHFFFAOYSA,N,Butyl undecylenate,GRAORJFMGCQWRN-UHFFFAOYSA-N
HMDB36427,234.161979948,C15H22O2,CC(C)=C1CC2C(CCC2(C)O)C(C)=CC1=O,"InChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h7,11,13,17H,5-6,8H2,1-4H3",RHBOHEXDGUVIIY,UHFFFAOYSA,N,Procurcumenol,RHBOHEXDGUVIIY-UHFFFAOYSA-N
HMDB36428,204.187800768,C15H24,CC1CC=C2C1C1C(CCC2C)C1(C)C,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h7,9-10,12-14H,5-6,8H2,1-4H3",KDDAGEWDPAMROQ,UHFFFAOYSA,N,"(4alpha,5beta,6alpha,7alpha,10alpha)-1-Aromadendrene",KDDAGEWDPAMROQ-UHFFFAOYSA-N
HMDB36429,428.401816286,C30H52O,CC(C)C(C)CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C30H52O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h14,19-24,26-27,31H,9-13,15-18H2,1-8H3",NWPXYRKVJLBSQU,UHFFFAOYSA,N,"(3beta,4alpha,5alpha,14alpha,24xi)-4,14,24-Trimethylcholest-9(11)-en-3-ol",NWPXYRKVJLBSQU-UHFFFAOYSA-N
HMDB36430,648.423733518,C37H60O9,COC(C)(C)\C=C\CC(C)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O,"InChI=1S/C37H60O9/c1-21(10-9-14-33(2,3)44-8)22-13-15-36(7)31-25(45-32-30(43)29(42)28(41)26(19-38)46-32)18-24-23(11-12-27(40)34(24,4)5)37(31,20-39)17-16-35(22,36)6/h9,14,18,20-23,25-32,38,40-43H,10-13,15-17,19H2,1-8H3/b14-9+",HPSVQEWDZSDXRG,NTEUORMPSA,N,Momordicoside K,HPSVQEWDZSDXRG-NTEUORMPSA-N
HMDB36431,210.075290206,C8H10N4O3,CN1C(=O)NC2=C1N(C)C(=O)N(C)C2=O,"InChI=1S/C8H10N4O3/c1-10-5-4(9-7(10)14)6(13)12(3)8(15)11(5)2/h1-3H3,(H,9,14)",CWENCZHQIWXCCA,UHFFFAOYSA,N,"1,3,9-Trimethyluric acid",CWENCZHQIWXCCA-UHFFFAOYSA-N
HMDB36432,194.094294314,C11H14O3,CC(C)COC(=O)C1=CC=CC=C1O,"InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3",PTXDBYSCVQQBNF,UHFFFAOYSA,N,Isobutyl salicylate,PTXDBYSCVQQBNF-UHFFFAOYSA-N
HMDB36433,458.375995466,C30H50O3,CC(CCC(O)C(=C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C30H50O3/c1-19(7-8-22(32)20(2)17-31)21-11-13-28(6)24-10-9-23-26(3,4)25(33)12-14-29(23)18-30(24,29)16-15-27(21,28)5/h19,21-25,31-33H,2,7-18H2,1,3-6H3",FAQBQOGZHZJYRV,UHFFFAOYSA,N,"(3beta,24xi)-Cycloart-25-ene-3,24,27-triol",FAQBQOGZHZJYRV-UHFFFAOYSA-N
HMDB36434,516.272318256,C29H40O8,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O,"InChI=1S/C29H40O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18-19,25,32H,8-13H2,1-7H3,(H,34,35)",ASPCIAWQVXVATP,UHFFFAOYSA,N,Lucidenic acid E2,ASPCIAWQVXVATP-UHFFFAOYSA-N
HMDB36435,514.256668192,C29H38O8,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C29H38O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18,25H,8-13H2,1-7H3,(H,34,35)",LTJSBYAKDOGXLX,UHFFFAOYSA,N,Lucidenic acid D2,LTJSBYAKDOGXLX-UHFFFAOYSA-N
HMDB36436,456.251188884,C27H36O6,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-15,18H,7-13H2,1-6H3,(H,32,33)",GLUXWRYPXYKXKV,UHFFFAOYSA,N,Lucidenic acid F,GLUXWRYPXYKXKV-UHFFFAOYSA-N
HMDB36437,470.266838948,C28H38O6,COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C28H38O6/c1-15(8-9-22(33)34-7)16-12-21(32)28(6)24-17(29)13-19-25(2,3)20(31)10-11-26(19,4)23(24)18(30)14-27(16,28)5/h15-16,19H,8-14H2,1-7H3",ZXYSCJISDAKHPX,UHFFFAOYSA,N,Methyl lucidenate F,ZXYSCJISDAKHPX-UHFFFAOYSA-N
HMDB36438,636.423733518,C36H60O9,CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3,"InChI=1S/C36H60O9/c1-20(10-13-26(37)32(4,5)43)21-14-15-35(8)22-11-12-25-31(2,3)30(42)24(45-29(41)19-33(6,44)18-28(39)40)17-34(25,7)23(22)16-27(38)36(21,35)9/h20-21,24-27,30,37-38,42-44H,10-19H2,1-9H3,(H,39,40)",SWRXIGFQDQTNKP,UHFFFAOYSA,N,Fasciculic acid B,SWRXIGFQDQTNKP-UHFFFAOYSA-N
HMDB36439,620.428818896,C36H60O8,CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3,"InChI=1S/C36H60O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,30,37,41-43H,10-20H2,1-9H3,(H,38,39)",VOAJMYUEWCGJID,UHFFFAOYSA,N,Fasciculic acid A,VOAJMYUEWCGJID-UHFFFAOYSA-N
HMDB36440,709.440111863,C38H63NO11,CC(O)(CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(CO)CCC(O)C(C)(C)O)C1(C)C)C\C(O)=N\CC(O)=O,"InChI=1S/C38H63NO11/c1-33(2)26-11-10-23-24(15-28(43)38(8)22(13-14-37(23,38)7)21(20-40)9-12-27(42)34(3,4)48)36(26,6)16-25(41)32(33)50-31(47)18-35(5,49)17-29(44)39-19-30(45)46/h21-22,25-28,32,40-43,48-49H,9-20H2,1-8H3,(H,39,44)(H,45,46)",IOMBMOCSWVAYQU,UHFFFAOYSA,N,Fasciculic acid C,IOMBMOCSWVAYQU-UHFFFAOYSA-N
HMDB36441,134.073164942,C9H10O,COC1=CC=CC=C1C=C,"InChI=1S/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3",SFBTTWXNCQVIEC,UHFFFAOYSA,N,o-Vinylanisole,SFBTTWXNCQVIEC-UHFFFAOYSA-N
HMDB36442,556.376389396,C34H52O6,CC(CC\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3,"InChI=1S/C34H52O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12,20,26-29H,10-11,13-19H2,1-9H3,(H,37,38)/b21-12-",FFHZCNIREJAVOS,MTJSOVHGSA,N,"3beta,15alpha-Diacetoxylanosta-8,24-dien-26-oic acid",FFHZCNIREJAVOS-MTJSOVHGSA-N
HMDB36443,218.167065328,C15H22O,CC1CC(=O)C2=C1CC(CCC2C)C(C)=C,"InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3",NUWMTBMCSQWPDG,UHFFFAOYSA,N,Rotundone,NUWMTBMCSQWPDG-UHFFFAOYSA-N
HMDB36444,204.187800768,C15H24,CC1CCC2=C(C)CCC(CC12)C(C)=C,"InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3",YHAJBLWYOIUHHM,UHFFFAOYSA,N,alpha-Bulnesene,YHAJBLWYOIUHHM-UHFFFAOYSA-N
HMDB36445,222.198365454,C15H26O,CC1CCC2=C(C)CCC(CC12)C(C)(C)O,"InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h11-12,14,16H,5-9H2,1-4H3",LGOFSGDSFQNIAT,UHFFFAOYSA,N,Bulnesol,LGOFSGDSFQNIAT-UHFFFAOYSA-N
HMDB36446,236.177630012,C15H24O2,CC(C)C12CCC(C)(O1)C1C(C2)C(C)CC1=O,"InChI=1S/C15H24O2/c1-9(2)15-6-5-14(4,17-15)13-11(8-15)10(3)7-12(13)16/h9-11,13H,5-8H2,1-4H3",CSLBUZGPLRECOR,UHFFFAOYSA,N,beta-Kessyl ketone,CSLBUZGPLRECOR-UHFFFAOYSA-N
HMDB36447,222.198365454,C15H26O,CC1CCC2C(C)CCC3CC12OC3(C)C,"InChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3",GXMJXGUEPXEOGR,UHFFFAOYSA,N,Guaioxide,GXMJXGUEPXEOGR-UHFFFAOYSA-N
HMDB36448,252.172544634,C15H24O3,CC(C)=C1CC2C(CCC2(C)O)C(C)(O)CC1=O,"InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3",TXIKNNOOLCGADE,UHFFFAOYSA,N,Zedoarondiol,TXIKNNOOLCGADE-UHFFFAOYSA-N
HMDB36449,234.161979948,C15H22O2,CC(C)=C1CC2C(CCC2(C)O)C(=C)CC1=O,"InChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h11,13,17H,3,5-8H2,1-2,4H3",ITIGZFMSPAFZAE,UHFFFAOYSA,N,"(1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one",ITIGZFMSPAFZAE-UHFFFAOYSA-N
HMDB36450,204.187800768,C15H24,CC(C)C1=CC2=C(CCC2C)C(C)CC1,"InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-12H,5-8H2,1-4H3",YLPOFTFBOIPYLE,UHFFFAOYSA,N,"(4alpha,10alpha)-1(5),6-Guaiadiene",YLPOFTFBOIPYLE-UHFFFAOYSA-N
HMDB36451,200.15650064,C15H20,CC(C)C1=CCC(C)C2=C1C=C(C)C=C2,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",YLIAZCIBLKJTKN,UHFFFAOYSA,N,(S)-gamma-Calacorene,YLIAZCIBLKJTKN-UHFFFAOYSA-N
HMDB36452,222.198365457,C15H26O,CC(C)C1CCC(C)(O)C2CCC(C)=CC12,"InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3",LHYHMMRYTDARSZ,UHFFFAOYSA,N,alpha-Cadinol,LHYHMMRYTDARSZ-UHFFFAOYSA-N
HMDB36453,200.15650064,C15H20,CC(C)C1CC=C(C)C2=C1C=C(C)C=C2,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3",CUUMXRBKJIDIAY,UHFFFAOYSA,N,"3,4-Dihydrocadalene",CUUMXRBKJIDIAY-UHFFFAOYSA-N
HMDB36454,212.120115134,C15H16O,CC1=COC2=C1C1=C(CCC(C)=C1)C(C)=C2,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6-8H,4-5H2,1-3H3",JSWOSPDHAFLJHZ,UHFFFAOYSA,N,Pyrocurzerenone,JSWOSPDHAFLJHZ-UHFFFAOYSA-N
HMDB36455,246.125594442,C15H18O3,CC(C)C1=CC(=O)C(C)(O)C2=CC(O)=C(C)C=C12,"InChI=1S/C15H18O3/c1-8(2)10-6-14(17)15(4,18)12-7-13(16)9(3)5-11(10)12/h5-8,16,18H,1-4H3",JLCJSBOHWRDWQW,UHFFFAOYSA,N,Lacinilene C,JLCJSBOHWRDWQW-UHFFFAOYSA-N
HMDB36456,260.141244506,C16H20O3,COC1=C(C)C=C2C(=CC(=O)C(C)(O)C2=C1)C(C)C,"InChI=1S/C16H20O3/c1-9(2)11-7-15(17)16(4,18)13-8-14(19-5)10(3)6-12(11)13/h6-9,18H,1-5H3",VMEKKHYIQYOLHA,UHFFFAOYSA,N,"10-Hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one",VMEKKHYIQYOLHA-UHFFFAOYSA-N
HMDB36457,256.073558872,C15H12O4,CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3CC2=C1,"InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3",LAJSXCAVRQXZIO,UHFFFAOYSA,N,Emodinanthranol,LAJSXCAVRQXZIO-UHFFFAOYSA-N
HMDB36458,101.047678473,C4H7NO2,NC1(CC1)C(O)=O,"InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)",PAJPWUMXBYXFCZ,UHFFFAOYSA,N,1-Aminocyclopropanecarboxylic acid,PAJPWUMXBYXFCZ-UHFFFAOYSA-N
HMDB36459,328.167459256,C20H24O4,COC1=C(O)C=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=C1,"InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3",QDDILOVMGWUNGD,UHFFFAOYSA,N,Macelignan,QDDILOVMGWUNGD-UHFFFAOYSA-N
HMDB36460,200.083729628,C13H12O2,C\C=C/C#CC#CC#C\C=C\C(O)CO,"InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2-,11-10+",GVCJUCQUVWZELI,JSQGHLFOSA,N,Safynol,GVCJUCQUVWZELI-JSQGHLFOSA-N
HMDB36461,182.167065326,C12H22O,CC1CCCC2(C)CCCCC12O,"InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3",JLPUXFOGCDVKGO,UHFFFAOYSA,N,Geosmin,JLPUXFOGCDVKGO-UHFFFAOYSA-N
HMDB36462,402.204238692,C23H30O6,COC1=CC(CC(C)OC2=C(OC)C=C(CC=C)C=C2OC)=CC(OC)=C1OC,"InChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8,11-15H,1,9-10H2,2-7H3",ZOPUPXKPXCSWAE,UHFFFAOYSA,N,Virolongin B,ZOPUPXKPXCSWAE-UHFFFAOYSA-N
HMDB36463,374.172938564,C21H26O6,COC1=CC(=CC(OC)=C1O)C(O)C(C)OC1=C(OC)C=C(\C=C/C)C=C1,"InChI=1S/C21H26O6/c1-6-7-14-8-9-16(17(10-14)24-3)27-13(2)20(22)15-11-18(25-4)21(23)19(12-15)26-5/h6-13,20,22-23H,1-5H3/b7-6-",DIEIEAKVQCTJFH,SREVYHEPSA,N,"1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[2-methoxy-4-(1-propenyl)phenoxy]-1-propanol",DIEIEAKVQCTJFH-SREVYHEPSA-N
HMDB36466,234.161979948,C15H22O2,C\C1=C\CCC2(C)OC2CC(C)(C)\C=C\C1=O,"InChI=1S/C15H22O2/c1-11-6-5-8-15(4)13(17-15)10-14(2,3)9-7-12(11)16/h6-7,9,13H,5,8,10H2,1-4H3/b9-7+,11-6-",UXYYOHOTPOQJPD,MHLOZHTBSA,N,Zerumbone oxide,UXYYOHOTPOQJPD-MHLOZHTBSA-N
HMDB36467,204.187800768,C15H24,C\C1=C\CC(C)(C)\C=C/C\C(C)=C/CC1,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6-,13-7-,14-10-",FAMPSKZZVDUYOS,KXWHQPPKSA,N,alpha-Humulene,FAMPSKZZVDUYOS-KXWHQPPKSA-N
HMDB36468,236.159871458,C15H24S,C\C1=C\CC(C)(C)\C=C/CC2(C)SC2CC1,"InChI=1S/C15H24S/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-",RNAZTWUZAUOIKC,QZFXXANLSA,N,"1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene",RNAZTWUZAUOIKC-QZFXXANLSA-N
HMDB36469,236.159871458,C15H24S,C\C1=C\CC(C)(C)C2SC2C\C(C)=C/CC1,"InChI=1S/C15H24S/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8-,12-7-",SVXFQANDXQPHJI,HONFXZPPSA,N,"3,7,7,10-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene",SVXFQANDXQPHJI-HONFXZPPSA-N
HMDB36470,184.125200512,C14H16,CCC1=CC2=C(C)C=CC2=C(C)C=C1,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",GXGJIOMUZAGVEH,UHFFFAOYSA,N,"1,4-Dimethyl-7-ethylazulene",GXGJIOMUZAGVEH-UHFFFAOYSA-N
HMDB36471,186.140850576,C14H18,CCC1=CCC(C)=C2CC=C(C)C2=C1,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6-7,9H,4-5,8H2,1-3H3",IYOUDNRQMJGGQI,UHFFFAOYSA,N,"7-Ethyl-3,6-dihydro-1,4-dimethylazulene",IYOUDNRQMJGGQI-UHFFFAOYSA-N
HMDB36472,302.151809192,C18H22O4,COC1=CC=C(C=C1)C(O)C(C(C)O)C1=CC=C(OC)C=C1,"InChI=1S/C18H22O4/c1-12(19)17(13-4-8-15(21-2)9-5-13)18(20)14-6-10-16(22-3)11-7-14/h4-12,17-20H,1-3H3",KKTBJMXEKPXZHK,UHFFFAOYSA,N,Verimol D,KKTBJMXEKPXZHK-UHFFFAOYSA-N
HMDB36473,246.125594442,C15H18O3,CC1CC2OC(=O)C(=C)C2CC=C1\C=C/C(C)=O,"InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4-",RBRPTFMVULVGIC,PLNGDYQASA,N,8-Epixanthatin,RBRPTFMVULVGIC-PLNGDYQASA-N
HMDB36474,346.178023942,C20H26O5,COC1=CC=C(C=C1)C(O)C(C)OC(C(C)O)C1=CC=C(OC)C=C1,"InChI=1S/C20H26O5/c1-13(21)20(16-7-11-18(24-4)12-8-16)25-14(2)19(22)15-5-9-17(23-3)10-6-15/h5-14,19-22H,1-4H3",TXTILWZRXPOUKA,UHFFFAOYSA,N,Verimol G,TXTILWZRXPOUKA-UHFFFAOYSA-N
HMDB36476,928.503165628,C47H76O18,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H76O18/c1-42(2)14-15-47(41(59)65-40-35(57)33(55)31(53)25(19-49)62-40)22(16-42)21-8-9-27-44(5)12-11-29(43(3,4)26(44)10-13-45(27,6)46(21,7)17-28(47)51)63-38-36(58)37(23(50)20-60-38)64-39-34(56)32(54)30(52)24(18-48)61-39/h8,22-40,48-58H,9-20H2,1-7H3",DYJBTUINEBYYQT,UHFFFAOYSA,N,Araliasaponin I,DYJBTUINEBYYQT-UHFFFAOYSA-N
HMDB36477,1090.555989058,C53H86O23,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C53H86O23/c1-48(2)14-15-53(47(68)76-45-38(65)36(63)33(60)26(19-55)71-45)23(16-48)22-8-9-29-50(5)12-11-31(49(3,4)28(50)10-13-51(29,6)52(22,7)17-30(53)58)73-43-39(66)41(24(57)21-69-43)74-46-40(67)42(34(61)27(20-56)72-46)75-44-37(64)35(62)32(59)25(18-54)70-44/h8,23-46,54-67H,9-21H2,1-7H3",AHEWVDSAOCOLCK,UHFFFAOYSA,N,Araliasaponin III,AHEWVDSAOCOLCK-UHFFFAOYSA-N
HMDB36478,1120.566553744,C54H88O24,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C54H88O24/c1-49(2)14-15-54(48(70)78-45-39(67)37(65)33(61)25(19-56)72-45)23(16-49)22-8-9-29-51(5)12-11-31(50(3,4)28(51)10-13-52(29,6)53(22,7)17-30(54)59)75-46-40(68)42(34(62)26(20-57)73-46)77-47-41(69)43(35(63)27(21-58)74-47)76-44-38(66)36(64)32(60)24(18-55)71-44/h8,23-47,55-69H,9-21H2,1-7H3",YISNJOIRYOFUPG,UHFFFAOYSA,N,Araliasaponin IV,YISNJOIRYOFUPG-UHFFFAOYSA-N
HMDB36479,1083.492180981,C55H73N9O10S2,[H][C@@]12CCCN1C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCS(C)=O)NC(=O)[C@@H](NC(=O)[C@H](CC1=CNC3=CC=CC=C13)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC2=O)C(C)C,"InChI=1S/C55H73N9O10S2/c1-33(2)28-42-49(66)58-41(24-27-76(6)74)55(72)64-25-15-22-46(64)53(70)62-44(30-36-18-11-8-12-19-36)51(68)60-43(29-35-16-9-7-10-17-35)50(67)61-45(31-37-32-56-39-21-14-13-20-38(37)39)52(69)63-47(34(3)4)54(71)57-40(48(65)59-42)23-26-75(5)73/h7-14,16-21,32-34,40-47,56H,15,22-31H2,1-6H3,(H,57,71)(H,58,66)(H,59,65)(H,60,68)(H,61,67)(H,62,70)(H,63,69)/t40-,41-,42-,43-,44-,45-,46-,47-,75?,76?/m0/s1",OPPHXUQOVAMNAS,AEEQZTKLSA,N,Cyclolinopeptide F,OPPHXUQOVAMNAS-AEEQZTKLSA-N
HMDB36480,1302.588077046,C62H94O29,C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C)OC(C)=O,"InChI=1S/C62H94O29/c1-11-25(2)52(80)91-49-50(83-27(4)68)62(24-66)29(18-57(49,5)6)28-12-13-34-58(7)16-15-35(59(8,23-65)33(58)14-17-60(34,9)61(28,10)19-36(62)82-26(3)67)86-56-48(90-54-43(76)41(74)39(72)32(21-64)85-54)45(44(77)46(88-56)51(78)79)87-55-47(37(70)30(69)22-81-55)89-53-42(75)40(73)38(71)31(20-63)84-53/h11-12,23,29-50,53-56,63-64,66,69-77H,13-22,24H2,1-10H3,(H,78,79)/b25-11-",BJFNIGZQPQQAFL,GATIEOLUSA,N,Assamsaponin F,BJFNIGZQPQQAFL-GATIEOLUSA-N
HMDB36481,1260.57751236,C60H92O28,C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C,"InChI=1S/C60H92O28/c1-10-24(2)50(78)88-47-48(80-25(3)65)60(23-64)27(17-55(47,4)5)26-11-12-32-56(6)15-14-34(57(7,22-63)31(56)13-16-58(32,8)59(26,9)18-33(60)67)83-54-46(87-52-41(74)39(72)37(70)30(20-62)82-52)43(42(75)44(85-54)49(76)77)84-53-45(35(68)28(66)21-79-53)86-51-40(73)38(71)36(69)29(19-61)81-51/h10-11,22,27-48,51-54,61-62,64,66-75H,12-21,23H2,1-9H3,(H,76,77)/b24-10-",QOKFVEFNMFPQEC,VROXFSQNSA,N,Assamsaponin G,QOKFVEFNMFPQEC-VROXFSQNSA-N
HMDB36482,1260.57751236,C60H92O28,C\C=C(\C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C,"InChI=1S/C60H92O28/c1-10-24(2)50(78)88-48-47(75)60(23-80-25(3)64)27(17-55(48,4)5)26-11-12-32-56(6)15-14-34(57(7,22-63)31(56)13-16-58(32,8)59(26,9)18-33(60)66)83-54-46(87-52-41(73)39(71)37(69)30(20-62)82-52)43(42(74)44(85-54)49(76)77)84-53-45(35(67)28(65)21-79-53)86-51-40(72)38(70)36(68)29(19-61)81-51/h10-11,22,27-48,51-54,61-62,65-75H,12-21,23H2,1-9H3,(H,76,77)/b24-10-",WTISBQNOTSKOOZ,VROXFSQNSA,N,Assamsaponin H,WTISBQNOTSKOOZ-VROXFSQNSA-N
HMDB36483,1260.57751236,C60H92O28,C\C=C(/C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C,"InChI=1S/C60H92O28/c1-10-24(2)50(78)88-48-47(75)60(23-80-25(3)64)27(17-55(48,4)5)26-11-12-32-56(6)15-14-34(57(7,22-63)31(56)13-16-58(32,8)59(26,9)18-33(60)66)83-54-46(87-52-41(73)39(71)37(69)30(20-62)82-52)43(42(74)44(85-54)49(76)77)84-53-45(35(67)28(65)21-79-53)86-51-40(72)38(70)36(68)29(19-61)81-51/h10-11,22,27-48,51-54,61-62,65-75H,12-21,23H2,1-9H3,(H,76,77)/b24-10+",WTISBQNOTSKOOZ,YSURURNPSA,N,Assamsaponin I,WTISBQNOTSKOOZ-YSURURNPSA-N
HMDB36484,920.49808025,C45H76O19,CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H76O19/c1-18(17-58-40-37(55)35(53)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-39(36(54)33(51)29(16-47)62-42)63-41-38(56)34(52)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3",WROHFEWGWYQNPP,UHFFFAOYSA,N,Trigoneoside Xb,WROHFEWGWYQNPP-UHFFFAOYSA-N
HMDB36485,906.482430186,C44H74O19,CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C44H74O19/c1-18(16-57-39-37(55)34(52)32(50)28(14-45)60-39)7-10-44(56)19(2)30-27(63-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)59-41-38(35(53)33(51)29(15-46)61-41)62-40-36(54)31(49)25(48)17-58-40/h18-41,45-56H,5-17H2,1-4H3",RLAUJYFETVMGAO,UHFFFAOYSA,N,Trigoneoside XIb,RLAUJYFETVMGAO-UHFFFAOYSA-N
HMDB36486,1320.613897866,C66H96O27,CC1OC(OC2C(O)C(O)COC2OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(OC(C)=O)C(OC(=O)\C=C\C7=CC=CC=C7)C6(CO)C(CC54C)OC(C)=O)C3(C)C)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C66H96O27/c1-29-42(73)45(76)47(78)57(84-29)92-52-43(74)35(71)27-83-59(52)90-50-49(80)51(56(81)82)91-60(53(50)93-58-48(79)46(77)44(75)36(26-67)87-58)88-39-21-22-63(8)37(62(39,6)7)20-23-64(9)38(63)18-17-33-34-24-61(4,5)54(86-31(3)70)55(89-41(72)19-16-32-14-12-11-13-15-32)66(34,28-68)40(85-30(2)69)25-65(33,64)10/h11-17,19,29,34-40,42-55,57-60,67-68,71,73-80H,18,20-28H2,1-10H3,(H,81,82)/b19-16+",WMDYPPZNMOEMLX,KNTRCKAVSA,N,Assamsaponin J,WMDYPPZNMOEMLX-KNTRCKAVSA-N
HMDB36487,306.146723814,C17H22O5,CC1C2C(OC1=O)C1=C(C)CC=C1C(C)(O)CC2OC(C)=O,"InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h6,9,12,14-15,20H,5,7H2,1-4H3",ZPTLTKQKVWFFNY,UHFFFAOYSA,N,Achillicin,ZPTLTKQKVWFFNY-UHFFFAOYSA-N
HMDB36488,246.125594442,C15H18O3,OC1CC2C(OC(=O)C2=C)C2C(CCC2=C)C1=C,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)12(16)6-11-9(3)15(17)18-14(11)13(7)10/h10-14,16H,1-6H2",XYWIETPXXWYOFO,UHFFFAOYSA,N,Annuolide C,XYWIETPXXWYOFO-UHFFFAOYSA-N
HMDB36489,308.162373878,C17H24O5,CC1C2C(OC1=O)C1C(CC=C1C)C(C)(O)CC2OC(C)=O,"InChI=1S/C17H24O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h5,9,11-15,20H,6-7H2,1-4H3",ACKIMLHJQRKFGM,UHFFFAOYSA,N,Dihydrocumambrin A,ACKIMLHJQRKFGM-UHFFFAOYSA-N
HMDB36491,114.05032101,C6H10S,C=CCSCC=C,"InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2",UBJVUCKUDDKUJF,UHFFFAOYSA,N,Di-2-propenyl sulfide,UBJVUCKUDDKUJF-UHFFFAOYSA-N
HMDB36492,382.086810428,B4H20Na2O17,O.O.O.O.O.O.O.O.[Na+].[Na+].OB1O[B]2(O)OB(O)O[B](O)(O1)O2,"InChI=1S/B4H4O9.2Na.8H2O/c5-1-9-3(7)11-2(6)12-4(8,10-1)13-3;;;;;;;;;;/h5-8H;;;8*1H2/q;2*+1;;;;;;;;",IKVFRZBTOKCMKG,UHFFFAOYSA,N,Borax,IKVFRZBTOKCMKG-UHFFFAOYSA-N
HMDB36522,182.094294314,C10H14O3,COC1=CC(O)=C(CC(C)O)C=C1,"InChI=1S/C10H14O3/c1-7(11)5-8-3-4-9(13-2)6-10(8)12/h3-4,6-7,11-12H,5H2,1-2H3",JHAZVELQNMEUTR,UHFFFAOYSA,N,Verimol J,JHAZVELQNMEUTR-UHFFFAOYSA-N
HMDB36523,432.126776232,C18H24O12,CC1=C(OC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)C(=O)C=CO1,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",WCVUIHQUPRXYKT,UHFFFAOYSA,N,Licoagroside B,WCVUIHQUPRXYKT-UHFFFAOYSA-N
HMDB36524,416.160180989,C20H29ClO7,CC(Cl)C(C)(O)C(=O)OC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C12C,"InChI=1S/C20H29ClO7/c1-9-14-15(27-17(24)19(5,25)11(3)21)18(4)10(2)13(22)7-6-12(18)8-20(14,26)28-16(9)23/h10-13,15,22,25-26H,6-8H2,1-5H3",IYBZGGXFPLMHRX,UHFFFAOYSA,N,"3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide",IYBZGGXFPLMHRX-UHFFFAOYSA-N
HMDB36525,520.230847372,C27H36O10,COC1=C(OC2OC(CO)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1,"InChI=1S/C27H36O10/c1-34-25-18-12-15(5-3-4-6-16(29)9-7-14-8-10-19(30)17(18)11-14)24(26(25)35-2)37-27-23(33)22(32)21(31)20(13-28)36-27/h8,10-12,16,20-23,27-33H,3-7,9,13H2,1-2H3",NPSYWDNXSMBWKP,UHFFFAOYSA,N,Myricanol 5-glucoside,NPSYWDNXSMBWKP-UHFFFAOYSA-N
HMDB36526,672.241805988,C34H40O14,COC1=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1,"InChI=1S/C34H40O14/c1-44-31-21-12-17(5-3-4-6-19(35)9-7-16-8-10-22(36)20(21)11-16)30(32(31)45-2)48-34-29(42)28(41)27(40)25(47-34)15-46-33(43)18-13-23(37)26(39)24(38)14-18/h8,10-14,19,25,27-29,34-42H,3-7,9,15H2,1-2H3",PXTKHOHAJHGCKB,UHFFFAOYSA,N,Myricanol 5-(6-galloylglucoside),PXTKHOHAJHGCKB-UHFFFAOYSA-N
HMDB36527,668.268020738,C32H44O15,COC1=C(OC2OC(COC3OC(O)(CO)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1,"InChI=1S/C32H44O15/c1-42-27-19-12-16(5-3-4-6-17(34)9-7-15-8-10-20(35)18(19)11-15)26(28(27)43-2)46-31-24(38)23(37)22(36)21(45-31)13-44-30-25(39)29(40)32(41,14-33)47-30/h8,10-12,17,21-25,29-31,33-41H,3-7,9,13-14H2,1-2H3",XNUIYJUJZLMXMW,UHFFFAOYSA,N,Myricanol 5-[arabinosyl-(1->6)-glucoside],XNUIYJUJZLMXMW-UHFFFAOYSA-N
HMDB36528,682.283670802,C33H46O15,COC1=C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1,"InChI=1S/C33H46O15/c1-43-29-19-12-16(5-3-4-6-17(36)9-7-15-8-10-20(37)18(19)11-15)28(31(29)44-2)47-33-27(42)30(24(39)22(14-35)46-33)48-32-26(41)25(40)23(38)21(13-34)45-32/h8,10-12,17,21-27,30,32-42H,3-7,9,13-14H2,1-2H3",XMKXFSLOVIEGBT,UHFFFAOYSA,N,Myricanol 5-laminaribioside,XMKXFSLOVIEGBT-UHFFFAOYSA-N
HMDB36529,682.283670802,C33H46O15,COC1=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1,"InChI=1S/C33H46O15/c1-43-30-19-12-16(5-3-4-6-17(35)9-7-15-8-10-20(36)18(19)11-15)29(31(30)44-2)48-33-28(42)26(40)24(38)22(47-33)14-45-32-27(41)25(39)23(37)21(13-34)46-32/h8,10-12,17,21-28,32-42H,3-7,9,13-14H2,1-2H3",MWHPGFTUVBRCFT,UHFFFAOYSA,N,Myricanol 5-beta-sophoroside,MWHPGFTUVBRCFT-UHFFFAOYSA-N
HMDB36540,458.375995466,C30H50O3,CC1(C)CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)=C2C1,"InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h21-24,31-33H,8-18H2,1-7H3",IHSVJVUGVFXDPE,UHFFFAOYSA,N,Heliantriol A1,IHSVJVUGVFXDPE-UHFFFAOYSA-N
HMDB36544,264.099773622,C14H16O5,COC1=C(OC(C)=O)C=CC(=C1)C(OC(C)=O)C=C,"InChI=1S/C14H16O5/c1-5-12(18-9(2)15)11-6-7-13(19-10(3)16)14(8-11)17-4/h5-8,12H,1H2,2-4H3",NKRBAUXTIWONOV,UHFFFAOYSA,N,1'-Acetoxyeugenol acetate,NKRBAUXTIWONOV-UHFFFAOYSA-N
HMDB36546,259.777607399,Cl4Sn,[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4],InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4,HPGGPRDJHPYFRM,UHFFFAOYSA,J,Tin chloride (SnCl4),HPGGPRDJHPYFRM-UHFFFAOYSA-J
HMDB36547,638.475769088,C37H66O8,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCC(O)CCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-9-12-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-13-10-11-16-29(39)17-14-15-18-30-26-28(25-27(2)38)37(42)43-30/h28-36,39-41H,3-26H2,1-2H3",NWVGCWARKGPJIT,UHFFFAOYSA,N,9-Hydroxyasimicinone,NWVGCWARKGPJIT-UHFFFAOYSA-N
HMDB36548,433.225308485,C27H31NO4,COC1=C(C\C=C(\C)CC(=O)C=C(C)C)C(O)=C2C(=O)N(CCC3=CC=CC=C3)CC2=C1,"InChI=1S/C27H31NO4/c1-18(2)14-22(29)15-19(3)10-11-23-24(32-4)16-21-17-28(27(31)25(21)26(23)30)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10-",ZJTHOPGQZOXEJX,GRSHGNNSSA,N,Hericenone B,ZJTHOPGQZOXEJX-GRSHGNNSSA-N
HMDB36549,236.177630012,C15H24O2,CC1=CC2OC3(CO)CCCC3(C)C2(C)CC1,"InChI=1S/C15H24O2/c1-11-5-8-13(2)12(9-11)17-15(10-16)7-4-6-14(13,15)3/h9,12,16H,4-8,10H2,1-3H3",JFZZTCKYMWJCGK,UHFFFAOYSA,N,Apotrichothecene,JFZZTCKYMWJCGK-UHFFFAOYSA-N
HMDB36550,250.15689457,C15H22O3,CC1=CC2OC3(CO)CC(=O)CC3(C)C2(C)CC1,"InChI=1S/C15H22O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,12,16H,4-5,7-9H2,1-3H3",JJBMWLFFOIHRLZ,UHFFFAOYSA,N,3-Ketoapotrichothecene,JJBMWLFFOIHRLZ-UHFFFAOYSA-N
HMDB36551,1097.507831045,C56H75N9O10S2,CCC(C)[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCS(C)=O)NC1=O,"InChI=1S/C56H75N9O10S2/c1-7-35(4)48-55(72)58-41(24-27-76(5)74)49(66)60-43(29-34(2)3)50(67)59-42(25-28-77(6)75)56(73)65-26-16-23-47(65)54(71)63-45(31-37-19-12-9-13-20-37)52(69)61-44(30-36-17-10-8-11-18-36)51(68)62-46(53(70)64-48)32-38-33-57-40-22-15-14-21-39(38)40/h8-15,17-22,33-35,41-48,57H,7,16,23-32H2,1-6H3,(H,58,72)(H,59,67)(H,60,66)(H,61,69)(H,62,68)(H,63,71)(H,64,70)/t35?,41-,42-,43-,44-,45-,46-,47-,48-,76?,77?/m0/s1",MGTCVHJATWUGDT,VAFFMOIVSA,N,Cyclolinopeptide G,MGTCVHJATWUGDT-VAFFMOIVSA-N
HMDB36552,1067.497266359,C55H73N9O9S2,CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(C)C,"InChI=1S/C55H73N9O9S2/c1-33(2)28-42-49(66)58-41(24-27-75(6)73)55(72)64-25-15-22-46(64)53(70)62-44(30-36-18-11-8-12-19-36)51(68)60-43(29-35-16-9-7-10-17-35)50(67)61-45(31-37-32-56-39-21-14-13-20-38(37)39)52(69)63-47(34(3)4)54(71)57-40(23-26-74-5)48(65)59-42/h7-14,16-21,32-34,40-47,56H,15,22-31H2,1-6H3,(H,57,71)(H,58,66)(H,59,65)(H,60,68)(H,61,67)(H,62,70)(H,63,69)/t40-,41-,42-,43-,44-,45-,46-,47-,75?/m0/s1",GJIDPIIOUZERFG,ONEWMBNISA,N,Cyclolinopeptide I,GJIDPIIOUZERFG-ONEWMBNISA-N
HMDB36553,1081.512916423,C56H75N9O9S2,CCC(C)[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCS(C)=O)NC1=O,"InChI=1S/C56H75N9O9S2/c1-7-35(4)48-55(72)58-41(25-28-76(6)74)49(66)60-43(29-34(2)3)50(67)59-42(24-27-75-5)56(73)65-26-16-23-47(65)54(71)63-45(31-37-19-12-9-13-20-37)52(69)61-44(30-36-17-10-8-11-18-36)51(68)62-46(53(70)64-48)32-38-33-57-40-22-15-14-21-39(38)40/h8-15,17-22,33-35,41-48,57H,7,16,23-32H2,1-6H3,(H,58,72)(H,59,67)(H,60,66)(H,61,69)(H,62,68)(H,63,71)(H,64,70)/t35?,41-,42-,43-,44-,45-,46-,47-,48-,76?/m0/s1",RGLVOQUKDGQVGR,OHQPZZPYSA,N,Cyclolinopeptide H,RGLVOQUKDGQVGR-OHQPZZPYSA-N
HMDB36555,370.10525293,C20H18O7,CC1(C)OC2=C(CC1O)C=C(C=C2O)C1=COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C20H18O7/c1-20(2)16(24)5-10-3-9(4-14(23)19(10)27-20)12-8-26-15-7-11(21)6-13(22)17(15)18(12)25/h3-4,6-8,16,21-24H,5H2,1-2H3",ZCVDLJXIVVGRBZ,UHFFFAOYSA,N,Glycyrrhizaisoflavone A,ZCVDLJXIVVGRBZ-UHFFFAOYSA-N
HMDB36556,366.110338308,C21H18O6,COC1=C2C(=O)C(=COC2=CC(O)=C1)C1=CC(O)=C2OC(C)(C)C=CC2=C1,"InChI=1S/C21H18O6/c1-21(2)5-4-11-6-12(7-15(23)20(11)27-21)14-10-26-17-9-13(22)8-16(25-3)18(17)19(14)24/h4-10,22-23H,1-3H3",SLQRKKBBWHNDFD,UHFFFAOYSA,N,Glycyrrhizaisoflavone B,SLQRKKBBWHNDFD-UHFFFAOYSA-N
HMDB36557,388.152203122,C21H24O7,CC(C)=CCC1=C(OC(=O)C2=C(O)C=C(O)C=C2C)C=C(CO)C(CO)=C1O,"InChI=1S/C21H24O7/c1-11(2)4-5-15-18(7-13(9-22)16(10-23)20(15)26)28-21(27)19-12(3)6-14(24)8-17(19)25/h4,6-8,22-26H,5,9-10H2,1-3H3",WTZUCTQSBSDSRG,UHFFFAOYSA,N,MS 3,WTZUCTQSBSDSRG-UHFFFAOYSA-N
HMDB36558,272.141244506,C17H20O3,COC1=CC=C(C=C1)C(C(C)O)C1=CC=C(OC)C=C1,"InChI=1S/C17H20O3/c1-12(18)17(13-4-8-15(19-2)9-5-13)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3",NHUSVJTYMHDUAP,UHFFFAOYSA,N,(S)-Verimol F,NHUSVJTYMHDUAP-UHFFFAOYSA-N
HMDB36559,136.125200512,C10H16,CC1(C)[C@@H]2C[C@H]1C(=C)CC2,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",WTARULDDTDQWMU,IUCAKERBSA,N,(-)-beta-Pinene,WTARULDDTDQWMU-IUCAKERBSA-N
HMDB36560,136.125200515,C10H16,CC1(C)C2CC1C(=C)CC2,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",WTARULDDTDQWMU,UHFFFAOYSA,N,beta-Pinene,WTARULDDTDQWMU-UHFFFAOYSA-N
HMDB36561,466.147511674,C22H26O11,OCC1OC(OC2OC=CC3C(O)C=C(COC(=O)C4=CC=C(O)C=C4)C23)C(O)C(O)C1O,"InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2",GLACGTLACKLUJX,UHFFFAOYSA,N,Agnuside,GLACGTLACKLUJX-UHFFFAOYSA-N
HMDB36562,346.126382302,C15H22O9,OCC1OC(OC2OC=CC3C(O)C=C(CO)C23)C(O)C(O)C1O,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2",RJWJHRPNHPHBRN,UHFFFAOYSA,N,Aucubin,RJWJHRPNHPHBRN-UHFFFAOYSA-N
HMDB36563,250.15689457,C15H22O3,CC1CCC(\C=C(/C)C(O)=O)C2=C(C)CC(O)C12,"InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+",XJNQXTISSHEQKD,UXBLZVDNSA,N,Valerenolic acid,XJNQXTISSHEQKD-UXBLZVDNSA-N
HMDB36564,300.20893014,C20H28O2,CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1CC2=O,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3",IPEHJNRNYPOFII,UHFFFAOYSA,N,Sugiol,IPEHJNRNYPOFII-UHFFFAOYSA-N
HMDB36565,192.151415262,C13H20O,CC(=O)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",PSQYTAPXSHCGMF,BQYQJAHWSA,N,beta-Ionone,PSQYTAPXSHCGMF-BQYQJAHWSA-N
HMDB36566,1044.8873622,C72H116O4,CCCCCCCCCCCCCCCC(=O)OC1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2C(C)=CC(CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C1,"InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-55,65-67H,13-38,49-50,56-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+",YHGJHDJZIOYZIR,HZXCUAKRSA,N,Xantofyl palmitate,YHGJHDJZIOYZIR-HZXCUAKRSA-N
HMDB36567,1078.483218046,C50H78O25,CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(=O)CC5(C)C4CC(=O)C23C)OC11CCC(C)CO1,"InChI=1S/C50H78O25/c1-17-5-6-50(67-15-17)18(2)32-27(75-50)8-21-19-7-23(54)22-9-26(24(55)11-48(22,3)20(19)10-31(57)49(21,32)4)68-45-40(65)37(62)41(30(14-53)71-45)72-47-43(74-46-39(64)36(61)34(59)28(12-51)69-46)42(35(60)29(13-52)70-47)73-44-38(63)33(58)25(56)16-66-44/h17-23,25-30,32-47,51-54,56,58-65H,5-16H2,1-4H3",WNOJNAYYPHOSGO,UHFFFAOYSA,N,"(3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[4'-(2''-glucosyl-3''-xylosyl)-galactoside]",WNOJNAYYPHOSGO-UHFFFAOYSA-N
HMDB36568,378.277009704,C23H38O4,CCCCC\C=C/C\C=C/CCCCC\C=C\C(=O)CC(O)COC(C)=O,"InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h7-8,10-11,17-18,23,26H,3-6,9,12-16,19-20H2,1-2H3/b8-7-,11-10-,18-17+",YLWJMUPPJKELEC,GQQAEKEGSA,N,Persenone A,YLWJMUPPJKELEC-GQQAEKEGSA-N
HMDB36569,616.194461866,C34H32O11,OCC1OC(OC2=CC3=C(C(C4C3C(C3=C4C=C(O)C=C3O)C3=CC=C(O)C=C3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C34H32O11/c35-13-24-31(41)32(42)33(43)34(45-24)44-19-11-21-28(23(40)12-19)26(15-3-7-17(37)8-4-15)29-20-9-18(38)10-22(39)27(20)25(30(21)29)14-1-5-16(36)6-2-14/h1-12,24-26,29-43H,13H2",LVYZAJNLNYSPIX,UHFFFAOYSA,N,Pallidol 3-glucoside,LVYZAJNLNYSPIX-UHFFFAOYSA-N
HMDB36570,778.247285296,C40H42O16,OCC1OC(OC2=CC3=C(C(C4C3C(C3=C4C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O)C3=CC=C(O)C=C3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C40H42O16/c41-13-25-33(47)35(49)37(51)39(55-25)53-19-9-21-29(23(45)11-19)27(15-1-5-17(43)6-2-15)31-22-10-20(54-40-38(52)36(50)34(48)26(14-42)56-40)12-24(46)30(22)28(32(21)31)16-3-7-18(44)8-4-16/h1-12,25-28,31-52H,13-14H2",BYOGHJOVDNNJNN,UHFFFAOYSA,N,"Pallidol 3,3''-diglucoside",BYOGHJOVDNNJNN-UHFFFAOYSA-N
HMDB36571,464.225761994,C21H36O11,CC1(C)OC(C)(CCC1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C,"InChI=1S/C21H36O11/c1-5-21(4)7-6-12(20(2,3)32-21)31-19-17(27)15(25)14(24)11(30-19)9-29-18-16(26)13(23)10(22)8-28-18/h5,10-19,22-27H,1,6-9H2,2-4H3",UXVKRHYINVOVAM,UHFFFAOYSA,N,"Linalool 3,7-oxide beta-primeveroside",UXVKRHYINVOVAM-UHFFFAOYSA-N
HMDB36572,190.1357652,C13H18O,C\C=C\C(=O)C1=C(C)C=CCC1(C)C,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",POIARNZEYGURDG,FNORWQNLSA,N,"3,5,8-Megastigmatrien-7-one",POIARNZEYGURDG-FNORWQNLSA-N
HMDB36573,137.963162262,C3H6S3,C1SCSCS1,InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2,LORRLQMLLQLPSJ,UHFFFAOYSA,N,"1,3,5-Trithiane",LORRLQMLLQLPSJ-UHFFFAOYSA-N
HMDB36574,75.94414138,CS2,S=C=S,InChI=1S/CS2/c2-1-3,QGJOPFRUJISHPQ,UHFFFAOYSA,N,Carbon disulfide,QGJOPFRUJISHPQ-UHFFFAOYSA-N
HMDB36575,204.187800768,C15H24,CC(C)=C1CC\C(C)=C/CC\C(C)=C/C1,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6-,14-9-",GXEGJTGWYVZSNR,OMQMMEOVSA,N,Germacrene B,GXEGJTGWYVZSNR-OMQMMEOVSA-N
HMDB36576,131.058243159,C5H9NO3,OC1CNC(C1)C(O)=O,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)",PMMYEEVYMWASQN,UHFFFAOYSA,N,4-Hydroxy-2-pyrrolidinecarboxylic acid,PMMYEEVYMWASQN-UHFFFAOYSA-N
HMDB36577,149.959849203,CHF3O3S,OS(=O)(=O)C(F)(F)F,"InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)",ITMCEJHCFYSIIV,UHFFFAOYSA,N,Trifluoromethanesulfonic acid,ITMCEJHCFYSIIV-UHFFFAOYSA-N
HMDB36578,216.187800768,C16H24,C[C@@H]1CC[C@@H]2CC3=C(C)C(=C)C[C@]13C2(C)C,"InChI=1S/C16H24/c1-10-9-16-11(2)6-7-13(15(16,4)5)8-14(16)12(10)3/h11,13H,1,6-9H2,2-5H3/t11-,13-,16+/m1/s1",CASPQMNSCBDWDR,KFNAQCHYSA,N,Cyperotundone,CASPQMNSCBDWDR-KFNAQCHYSA-N
HMDB36579,222.198365454,C15H26O,CC(C)C1CCC2(C)CC=C(C)CCC12O,"InChI=1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10H2,1-4H3",XZYQCFABZDVOPN,UHFFFAOYSA,N,Carotol,XZYQCFABZDVOPN-UHFFFAOYSA-N
HMDB36580,222.198365454,C15H26O,CC(C)C1CCC2(C)CCC3(C)CCC12O3,"InChI=1S/C15H26O/c1-11(2)12-5-6-13(3)7-8-14(4)9-10-15(12,13)16-14/h11-12H,5-10H2,1-4H3",WABYSPBNXHXFIQ,UHFFFAOYSA,N,"5,8-Epoxydaucane",WABYSPBNXHXFIQ-UHFFFAOYSA-N
HMDB36581,398.412380972,C26H54O2,OCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C26H54O2/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h27-28H,1-26H2",IDELJCANVIPGPV,UHFFFAOYSA,N,"1,26-Hexacosanediol",IDELJCANVIPGPV-UHFFFAOYSA-N
HMDB36582,165.042593095,C8H7NO3,COC1=CC=C2NC(=O)OC2=C1,"InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)",MKMCJLMBVKHUMS,UHFFFAOYSA,N,6-Methoxy-2(3H)-benzoxazolone,MKMCJLMBVKHUMS-UHFFFAOYSA-N
HMDB36583,224.141244506,C13H20O3,CC\C=C/C[C@@H]1[C@@H](CC(=O)OC)CCC1=O,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",GEWDNTWNSAZUDX,WQMVXFAESA,N,Methyl jasmonate,GEWDNTWNSAZUDX-WQMVXFAESA-N
HMDB36584,136.100048394,C8H12N2,CC1=NC(C)=C(C)N=C1C,InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3,FINHMKGKINIASC,UHFFFAOYSA,N,Tetramethylpyrazine,FINHMKGKINIASC-UHFFFAOYSA-N
HMDB36586,268.073558872,C16H12O4,COC1=CC2=C(C(OC)=C1)C(=O)C1=CC=CC=C1C2=O,"InChI=1S/C16H12O4/c1-19-9-7-12-14(13(8-9)20-2)16(18)11-6-4-3-5-10(11)15(12)17/h3-8H,1-2H3",ILRJFVJXKPFIAB,UHFFFAOYSA,N,"1,3-Dimethoxyanthraquinone",ILRJFVJXKPFIAB-UHFFFAOYSA-N
HMDB36587,388.188588628,C22H28O6,COC1=CC(C)C2CC3OC(=O)CC4C(C)=C(OC)C(=O)C(C34C)C2(C)C1=O,"InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3",IOSXSVZRTUWBHC,UHFFFAOYSA,N,Quassin,IOSXSVZRTUWBHC-UHFFFAOYSA-N
HMDB36588,600.41786028,C40H56O4,C\C(\C=C\C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20-",QAILMWKAKHIIHL,HNUXVXITSA,N,"Capsanthin 5,6-epoxide",QAILMWKAKHIIHL-HNUXVXITSA-N
HMDB36589,216.151415262,C15H20O,CC(=C)C1CCC2(C)C=CC(=O)C(C)=C2C1,"InChI=1S/C15H20O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h6,8,12H,1,5,7,9H2,2-4H3",YFZICPBAKZACEG,UHFFFAOYSA,N,"1,2-Dehydro-alpha-cyperone",YFZICPBAKZACEG-UHFFFAOYSA-N
HMDB36590,584.422945658,C40H56O3,C/C(/C=C/C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20-",VYIRVAXUEZSDNC,QGLVDCRNSA,N,Capsanthin,VYIRVAXUEZSDNC-QGLVDCRNSA-N
HMDB36591,426.386166222,C30H50O,CC(CCC=C(C)C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3",ONQRKEUAIJMULO,UHFFFAOYSA,N,Cycloartenol,ONQRKEUAIJMULO-UHFFFAOYSA-N
HMDB36592,497.210840211,C20H35NO13,CC1C(O)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C20H35NO13/c1-5-10(24)9(21-7-2-6(3-22)11(25)15(29)12(7)26)14(28)17(31)19(5)34-20-18(32)16(30)13(27)8(4-23)33-20/h2,5,7-32H,3-4H2,1H3",PJASXVPPJJZEIB,UHFFFAOYSA,N,Validamycin A,PJASXVPPJJZEIB-UHFFFAOYSA-N
HMDB36593,513.205754833,C20H35NO14,OCC1OC(OC2C(O)C(O)C(NC3C=C(CO)C(O)C(O)C3O)C(O)C2CO)C(O)C(O)C1O,"InChI=1S/C20H35NO14/c22-2-5-1-7(12(27)15(30)10(5)25)21-9-11(26)6(3-23)19(17(32)14(9)29)35-20-18(33)16(31)13(28)8(4-24)34-20/h1,6-33H,2-4H2",QYKWCMVFBWGYRE,UHFFFAOYSA,N,Validamycin B,QYKWCMVFBWGYRE-UHFFFAOYSA-N
HMDB36594,144.07864425,C7H12O3,CC1C(O)OCC1C(C)=O,"InChI=1S/C7H12O3/c1-4-6(5(2)8)3-10-7(4)9/h4,6-7,9H,3H2,1-2H3",CLYSZQBIUYRLNX,UHFFFAOYSA,N,Botryodiplodin,CLYSZQBIUYRLNX-UHFFFAOYSA-N
HMDB36595,354.110338308,C20H18O6,CC(C)=CCC1=C(O)C2=C(OC=C(C2=O)C2=C(O)C=C(O)C=C2)C=C1O,"InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3",MMPVAPMCVABQPS,UHFFFAOYSA,N,Luteone,MMPVAPMCVABQPS-UHFFFAOYSA-N
HMDB36596,424.188588628,C25H28O6,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC=C(C)C)C(OC)=C(O)C=C1O2,"InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3",YRKKJHJIWCRNCW,UHFFFAOYSA,N,beta-Mangostin,YRKKJHJIWCRNCW-UHFFFAOYSA-N
HMDB36597,438.204238692,C26H30O6,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC=C(C)C)C(OC)=C(OC)C=C1O2,"InChI=1S/C26H30O6/c1-14(2)8-10-16-18(29-5)12-20-23(24(16)27)25(28)22-17(11-9-15(3)4)26(31-7)21(30-6)13-19(22)32-20/h8-9,12-13,27H,10-11H2,1-7H3",FCIKYGUVHWZSJV,UHFFFAOYSA,N,"1-Hydroxy-3,6,7-trimethoxy-2,8-diprenylxanthone",FCIKYGUVHWZSJV-UHFFFAOYSA-N
HMDB36598,152.120115134,C10H16O,CCCCC\C=C/C=C/C=O,"InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6-,9-8+",JZQKTMZYLHNFPL,NMMTYZSQSA,N,"(E,E)-2,4-Decadienal",JZQKTMZYLHNFPL-NMMTYZSQSA-N
HMDB36599,196.146329884,C12H20O2,CCCCC\C=C/C=C/C(=O)OCC,"InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+",OPCRGEVPIBLWAY,QNRZBPGKSA,N,"Ethyl 2Z,4E-decadienoic acid",OPCRGEVPIBLWAY-QNRZBPGKSA-N
HMDB36600,466.220282686,C24H34O9,CC(C)CC(=O)OC1CC2(COC(C)=O)C(OC3C(O)C(OC(C)=O)C2(C)C32CO2)C=C1C,"InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3",BXFOFFBJRFZBQZ,UHFFFAOYSA,N,T2 Toxin,BXFOFFBJRFZBQZ-UHFFFAOYSA-N
HMDB36601,482.215197308,C24H34O10,CC(=O)OCC12CC(OC(=O)CC(C)(C)O)C(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C11CO1,"InChI=1S/C24H34O10/c1-12-7-16-23(10-30-13(2)25,8-15(12)33-17(27)9-21(4,5)29)22(6)19(32-14(3)26)18(28)20(34-16)24(22)11-31-24/h7,15-16,18-20,28-29H,8-11H2,1-6H3",MLDQZNYFEGLVAS,UHFFFAOYSA,N,3'-Hydroxy-T2 Toxin,MLDQZNYFEGLVAS-UHFFFAOYSA-N
HMDB36602,266.107357559,C15H19ClO2,CC1=CC2=C(C(=O)C(C)(CO)C2)C(C)=C1CCCl,"InChI=1S/C15H19ClO2/c1-9-6-11-7-15(3,8-17)14(18)13(11)10(2)12(9)4-5-16/h6,17H,4-5,7-8H2,1-3H3",PIZARWYEACWLJN,UHFFFAOYSA,N,(S)-Pterosin K,PIZARWYEACWLJN-UHFFFAOYSA-N
HMDB36603,410.194067936,C21H30O8,CC1=CC2=C(C(=O)C(C)(C)C2O)C(C)=C1CCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H30O8/c1-9-7-12-14(19(27)21(3,4)18(12)26)10(2)11(9)5-6-28-20-17(25)16(24)15(23)13(8-22)29-20/h7,13,15-18,20,22-26H,5-6,8H2,1-4H3",TUGWHBZURNWRDG,UHFFFAOYSA,N,Pteroside D,TUGWHBZURNWRDG-UHFFFAOYSA-N
HMDB36604,189.100107973,C8H15NO4,CN1C2CCC1(O)C(O)C(O)C2O,"InChI=1S/C8H15NO4/c1-9-4-2-3-8(9,13)7(12)6(11)5(4)10/h4-7,10-13H,2-3H2,1H3",GZDWTPRPLBRISA,UHFFFAOYSA,N,N-Methylcalystegine B2,GZDWTPRPLBRISA-UHFFFAOYSA-N
HMDB36605,232.109944378,C14H16O3,CC1CC2=C(C1=O)C(C)=C(CC(O)=O)C(C)=C2,"InChI=1S/C14H16O3/c1-7-4-10-5-8(2)14(17)13(10)9(3)11(7)6-12(15)16/h4,8H,5-6H2,1-3H3,(H,15,16)",UYEZJDNVWNIIKS,UHFFFAOYSA,N,Pterosin E,UYEZJDNVWNIIKS-UHFFFAOYSA-N
HMDB36606,236.096792873,C14H17ClO,CC1CC2=C(C1=O)C(C)=C(CCCl)C(C)=C2,"InChI=1S/C14H17ClO/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9H,4-5,7H2,1-3H3",DFJCTWMNTSWCRI,UHFFFAOYSA,N,Pterosin F,DFJCTWMNTSWCRI-UHFFFAOYSA-N
HMDB36607,234.125594442,C14H18O3,CC1CC2=C(C1=O)C(C)=C(CCO)C(CO)=C2,"InChI=1S/C14H18O3/c1-8-5-10-6-11(7-16)12(3-4-15)9(2)13(10)14(8)17/h6,8,15-16H,3-5,7H2,1-2H3",QDZJDGJEGHSXFF,UHFFFAOYSA,N,(S)-Pterosin P,QDZJDGJEGHSXFF-UHFFFAOYSA-N
HMDB36608,396.178417872,C20H28O8,CC1CC2=C(C1=O)C(C)=C(CCOC1OC(CO)C(O)C(O)C1O)C(CO)=C2,"InChI=1S/C20H28O8/c1-9-5-11-6-12(7-21)13(10(2)15(11)16(9)23)3-4-27-20-19(26)18(25)17(24)14(8-22)28-20/h6,9,14,17-22,24-26H,3-5,7-8H2,1-2H3",MTMPFCKKJBWSKK,UHFFFAOYSA,N,Pteroside P,MTMPFCKKJBWSKK-UHFFFAOYSA-N
HMDB36609,444.10564686,C22H20O10,OCC1OC(OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC3=C(OCO3)C=C2)C(O)C(O)C1O,"InChI=1S/C22H20O10/c23-7-17-19(25)20(26)21(27)22(32-17)31-11-2-3-12-15(6-11)28-8-13(18(12)24)10-1-4-14-16(5-10)30-9-29-14/h1-6,8,17,19-23,25-27H,7,9H2",GWACEFYEIOPAJV,UHFFFAOYSA,N,Rothindin,GWACEFYEIOPAJV-UHFFFAOYSA-N
HMDB36610,128.029585568,C6H8OS,CSC1=C(C)OC=C1,"InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3",OQVAOEIMSKZGAL,UHFFFAOYSA,N,2-Methyl-3-(methylthio)furan,OQVAOEIMSKZGAL-UHFFFAOYSA-N
HMDB36611,114.013935504,C5H6OS,CC1=C(S)C=CO1,"InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3",RUYNUXHHUVUINQ,UHFFFAOYSA,N,2-Methyl-3-furanthiol,RUYNUXHHUVUINQ-UHFFFAOYSA-N
HMDB36612,1062.52218651,C55H82O18S,CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCO)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)CC=C,"InChI=1S/C55H82O18S/c1-10-11-28(2)12-15-51(5,58)50-30(4)20-39-38(68-50)26-46-55(9,71-39)49(57)48-42(67-46)24-41-47(69-48)29(3)13-16-53(7)44(66-41)27-43-54(8,73-53)17-14-31-32(65-43)21-34-33(62-31)22-35-36(63-34)23-40-37(64-35)25-45(72-74(59,60)61)52(6,70-40)18-19-56/h10,12,15,29,31-50,56-58H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,59,60,61)/b15-12+",STPLAPGVFWFJCX,NTCAYCPXSA,N,1-Desulfoyessotoxin,STPLAPGVFWFJCX-NTCAYCPXSA-N
HMDB36613,971.499157746,C20H4Cl4I4O5,OC(=O)C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C1=C2C=C(I)C(=O)C(I)=C2OC2=C(I)C(O)=C(I)C=C12,"InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)",VDNLFJGJEQUWRB,UHFFFAOYSA,N,Rose bengal,VDNLFJGJEQUWRB-UHFFFAOYSA-N
HMDB36615,1156.49465113,C56H84O21S2,CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)CC=C,"InChI=1S/C56H84O21S2/c1-10-12-29(2)13-17-52(5,58)51-31(4)21-40-39(72-51)27-47-56(9,75-40)50(57)49-43(71-47)25-42-48(73-49)30(3)14-18-54(7)45(70-42)28-44-55(8,77-54)19-15-32-33(69-44)22-35-34(66-32)23-36-37(67-35)24-41-38(68-36)26-46(76-79(62,63)64)53(6,74-41)16-11-20-65-78(59,60)61/h10,13,17,30,32-51,57-58H,1-2,4,11-12,14-16,18-28H2,3,5-9H3,(H,59,60,61)(H,62,63,64)/b17-13+",RVOXLHZDVJPIKK,GHRIWEEISA,N,Homoyessotoxin,RVOXLHZDVJPIKK-GHRIWEEISA-N
HMDB36616,282.05282343,C16H10O5,OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC2=C(OCO2)C=C1,"InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2",KNJNBKINYHZUGC,UHFFFAOYSA,N,Pseudobaptigenin,KNJNBKINYHZUGC-UHFFFAOYSA-N
HMDB36617,356.037961226,C14H12O11,OC(=O)CC(C1C(OC(=O)C2=CC(O)=C(O)C(O)=C12)C(O)=O)C(O)=O,"InChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)",COZMWVAACFYLBI,UHFFFAOYSA,N,(+)-Chebulic acid,COZMWVAACFYLBI-UHFFFAOYSA-N
HMDB36618,416.110732238,C21H20O9,OCC1OC(OC2=CC(O)=CC3=C2C(=O)C=C(O3)C2=CC=CC=C2)C(O)C(O)C1O,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2",IRHAYEHCEVRWSB,UHFFFAOYSA,N,Toringin,IRHAYEHCEVRWSB-UHFFFAOYSA-N
HMDB36619,254.057908808,C15H10O4,OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",RTIXKCRFFJGDFG,UHFFFAOYSA,N,"5,7-Dihydroxyflavone",RTIXKCRFFJGDFG-UHFFFAOYSA-N
HMDB36620,282.089208936,C17H14O4,COC1=CC(OC)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1,"InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3",JRFZSUMZAUHNSL,UHFFFAOYSA,N,"5,7-Dimethoxyflavone",JRFZSUMZAUHNSL-UHFFFAOYSA-N
HMDB36621,380.198759384,C24H28O4,CC1=CCC2C(C)(C)C(=O)CCC2(C)C1COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C24H28O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20H,9,11-12,14H2,1-4H3",VPAXJOUATWLOPR,UHFFFAOYSA,N,Conferone,VPAXJOUATWLOPR-UHFFFAOYSA-N
HMDB36622,1174.46883031,C55H82O23S2,CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(CC=C)C(O)=O,"InChI=1S/C55H82O23S2/c1-9-10-29(50(57)58)12-14-51(4,59)49-28(3)19-38-37(73-49)25-45-55(8,76-38)48(56)47-41(72-45)23-40-46(74-47)27(2)11-15-53(6)43(71-40)26-42-54(7,78-53)16-13-30-31(70-42)20-33-32(67-30)21-34-35(68-33)22-39-36(69-34)24-44(77-80(63,64)65)52(5,75-39)17-18-66-79(60,61)62/h9,12,14,27,29-49,56,59H,1,3,10-11,13,15-26H2,2,4-8H3,(H,57,58)(H,60,61,62)(H,63,64,65)/b14-12+",BQABHFBKXNDLTF,WYMLVPIESA,N,Carboxyyessotoxin,BQABHFBKXNDLTF-WYMLVPIESA-N
HMDB36623,332.198759384,C20H28O4,CC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O,"InChI=1S/C20H28O4/c1-11(2)7-9-14-18(22)15(10-8-12(3)4)20(24)16(19(14)23)17(21)13(5)6/h7-8,13,22-24H,9-10H2,1-6H3",KKFIZYKKQLWBKH,UHFFFAOYSA,N,4-Deoxycohumulone,KKFIZYKKQLWBKH-UHFFFAOYSA-N
HMDB36624,346.214409448,C21H30O4,CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O,"InChI=1S/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3",NQYBQBZOHCACCR,UHFFFAOYSA,N,4-Deoxyhumulone,NQYBQBZOHCACCR-UHFFFAOYSA-N
HMDB36625,1172.489565752,C56H84O22S2,CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)C(O)C=C,"InChI=1S/C56H84O22S2/c1-10-31(57)28(2)12-16-52(5,59)51-30(4)20-40-39(73-51)26-47-56(9,76-40)50(58)49-43(72-47)24-42-48(74-49)29(3)13-17-54(7)45(71-42)27-44-55(8,78-54)18-14-32-33(70-44)21-35-34(67-32)22-36-37(68-35)23-41-38(69-36)25-46(77-80(63,64)65)53(6,75-41)15-11-19-66-79(60,61)62/h10,12,16,29,31-51,57-59H,1-2,4,11,13-15,17-27H2,3,5-9H3,(H,60,61,62)(H,63,64,65)/b16-12+",SAFIBVMKGBEOPD,FOWTUZBSSA,N,45-Hydroxyhomoyessotoxin,SAFIBVMKGBEOPD-FOWTUZBSSA-N
HMDB36626,148.0524295,C9H8O2,O=C1CCC2=CC=CC=C2O1,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",VMUXSMXIQBNMGZ,UHFFFAOYSA,N,"3,4-Dihydro-2H-1-benzopyran-2-one",VMUXSMXIQBNMGZ-UHFFFAOYSA-N
HMDB36627,206.057908808,C11H10O4,COC1=CC(O)=C2C(=O)C=C(C)OC2=C1,"InChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/h3-5,13H,1-2H3",SUTUBQHKZRNZRA,UHFFFAOYSA,N,Eugenin,SUTUBQHKZRNZRA-UHFFFAOYSA-N
HMDB36628,232.037173366,C12H8O5,COC1=C2C=CC(=O)OC2=C(O)C2=C1C=CO2,"InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3",MVJHUMZXIJPVHV,UHFFFAOYSA,N,9-Hydroxy-4-methoxypsoralen,MVJHUMZXIJPVHV-UHFFFAOYSA-N
HMDB36629,284.068473494,C16H12O5,OC1=CC2=C(C=C1)C1OC3=CC4=C(OCO4)C=C3C1CO2,"InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2",HUKSJTUUSUGIDC,UHFFFAOYSA,N,(-)-Maackiain,HUKSJTUUSUGIDC-UHFFFAOYSA-N
HMDB36630,446.121296924,C22H22O10,OCC1OC(OC2=CC=C3C4OC5=C(C=C6OCOC6=C5)C4COC3=C2)C(O)C(O)C1O,"InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2",VGSYCWGXBYZLLE,UHFFFAOYSA,N,Trifolirhizin,VGSYCWGXBYZLLE-UHFFFAOYSA-N
HMDB36631,420.1572885,C25H24O6,CC(C)=CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3",XFFOMNJIDRDDLQ,UHFFFAOYSA,N,Morusin,XFFOMNJIDRDDLQ-UHFFFAOYSA-N
HMDB36632,302.042652674,C15H10O7,OC1=CC2=C(C(O)=C1O)C(=O)C=C(O2)C1=CC(O)=C(O)C=C1,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H",VYAKIUWQLHRZGK,UHFFFAOYSA,N,6-Hydroxyluteolin,VYAKIUWQLHRZGK-UHFFFAOYSA-N
HMDB36633,372.120902994,C20H20O7,COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C=C2O1,"InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3",LKMNXYDUQXAUCZ,UHFFFAOYSA,N,Sinensetin,LKMNXYDUQXAUCZ-UHFFFAOYSA-N
HMDB36634,436.136946988,C21H24O10,OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1",IOUVKUPGCMBWBT,QNDFHXLGSA,N,Phlorizin,IOUVKUPGCMBWBT-QNDFHXLGSA-N
HMDB36635,310.120509064,C19H18O4,CC1=COC2=C1C(=O)C(=O)C1=C2C=CC2=C1C(O)CCC2(C)C,"InChI=1S/C19H18O4/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,8,12,20H,6-7H2,1-3H3",UPCWCCRFMPIOAP,UHFFFAOYSA,N,Hydroxytanshinone,UPCWCCRFMPIOAP-UHFFFAOYSA-N
HMDB36636,338.115423686,C20H18O5,COC(=O)C1(C)CCCC2=C1C=CC1=C2C(=O)C(=O)C2=C1OC=C2C,"InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3",YFDKIHAZVQFLRC,UHFFFAOYSA,N,Methuyl tanshinonate,YFDKIHAZVQFLRC-UHFFFAOYSA-N
HMDB36637,592.136946988,C34H24O10,CC12CC(C3=C(O1)C=C(O)C=C3)C13OC1(OC1=CC(=CC(O)=C1C3C2=O)C1=CC2=C(O1)C=C(O)C=C2)C1=C(O)C=C(O)C=C1,"InChI=1S/C34H24O10/c1-32-14-22(20-6-4-19(37)13-27(20)42-32)33-30(31(32)40)29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)43-34(33,44-33)21-7-5-17(35)11-23(21)38/h2-13,22,30,35-39H,14H2,1H3",MSVXRBNAPJJEDX,UHFFFAOYSA,N,Mulberrofuran Q,MSVXRBNAPJJEDX-UHFFFAOYSA-N
HMDB36638,472.355260024,C30H48O4,CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)=C2C1)C(O)=O,"InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h20-23,31-32H,8-17H2,1-7H3,(H,33,34)/t20?,21?,22-,23+,27-,28+,29+,30+/m0/s1",NOHMTCLUYAVQEY,YLOHOTJZSA,N,Albigenic acid,NOHMTCLUYAVQEY-YLOHOTJZSA-N
HMDB36639,488.350174646,C30H48O5,[H][C@@]12C[C@@](C)([C@H](O)C[C@]1(C)CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O)[C@](C)(CO)C3CC[C@@]12C)C(O)=O,"InChI=1S/C30H48O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21?,22-,23+,25-,26-,27-,28+,29+,30+/m0/s1",ZXWLSOQCDSAYHO,DKLPYYDQSA,N,Glyyunnansapogenin B,ZXWLSOQCDSAYHO-DKLPYYDQSA-N
HMDB36640,248.177630012,C16H24O2,COC1C2=C(CC3CCCC(C)C13C)OC=C2C,"InChI=1S/C16H24O2/c1-10-9-18-13-8-12-7-5-6-11(2)16(12,3)15(17-4)14(10)13/h9,11-12,15H,5-8H2,1-4H3",JRLLKNNCOWNIBL,UHFFFAOYSA,N,Furanofukinin,JRLLKNNCOWNIBL-UHFFFAOYSA-N
HMDB36641,248.141244506,C15H20O3,CC1C2CCC(C)(O)C3=CCC(C)=C3C2OC1=O,"InChI=1S/C15H20O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h5,9-10,13,17H,4,6-7H2,1-3H3",BXBCLQRTBGRRDB,UHFFFAOYSA,N,Artabsin,BXBCLQRTBGRRDB-UHFFFAOYSA-N
HMDB36642,222.198365454,C15H26O,CC(=C)C1CCC2(C)CCCC(C)(O)C2C1,"InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3",DPQYOKVMVCQHMY,UHFFFAOYSA,N,Isointermedeol,DPQYOKVMVCQHMY-UHFFFAOYSA-N
HMDB36643,306.146723808,C17H22O5,CC1C2C(OC1=O)C1C(C=CC1(C)O)=C(C)CC2OC(C)=O,"InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3",SYTRJRUSWMMZLV,UHFFFAOYSA,N,Matricin,SYTRJRUSWMMZLV-UHFFFAOYSA-N
HMDB36644,204.187800768,C15H24,CC1CCC2=C(C)CCC(CC12)=C(C)C,"InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12,15H,5-9H2,1-4H3",XUTBNOJXXIWRCB,UHFFFAOYSA,N,beta-Bulnesene,XUTBNOJXXIWRCB-UHFFFAOYSA-N
HMDB36645,222.198365454,C15H26O,CC1CCC2C1C1C(CCC2(C)O)C1(C)C,"InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3",AYXPYQRXGNDJFU,UHFFFAOYSA,N,Globulol,AYXPYQRXGNDJFU-UHFFFAOYSA-N
HMDB36646,222.198365454,C15H26O,[H][C@@]12C=C(C)CC[C@@]1([H])[C@@](C)(O)CC[C@H]2C(C)C,"InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14+,15-/m0/s1",LHYHMMRYTDARSZ,XQLPTFJDSA,N,Cedrelanol,LHYHMMRYTDARSZ-XQLPTFJDSA-N
HMDB36647,234.161979948,C15H22O2,CC1CCC2C(=C)CC3(O)OC12CC3=C(C)C,"InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h11-12,16H,3,5-8H2,1-2,4H3",DEBDFZGNZTYPMF,UHFFFAOYSA,N,Isocurcumenol,DEBDFZGNZTYPMF-UHFFFAOYSA-N
HMDB36648,198.140850576,C15H18,CC(C)C1=CC2=C(C)C=CC2=C(C)C=C1,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",FWKQNCXZGNBPFD,UHFFFAOYSA,N,"7-Isopropyl-1,4-dimethylazulene",FWKQNCXZGNBPFD-UHFFFAOYSA-N
HMDB36649,264.039104396,C12H12N2OS2,CON1C2=C(CN=C(SC)S2)C2=CC=CC=C12,"InChI=1S/C12H12N2OS2/c1-15-14-10-6-4-3-5-8(10)9-7-13-12(16-2)17-11(9)14/h3-6H,7H2,1-2H3",JCYHQSOLTRRNNC,UHFFFAOYSA,N,Sinalbin B,JCYHQSOLTRRNNC-UHFFFAOYSA-N
HMDB36650,280.034019018,C12H12N2O2S2,CON1C2=C(CN=C(S2)S(C)=O)C2=CC=CC=C12,"InChI=1S/C12H12N2O2S2/c1-16-14-10-6-4-3-5-8(10)9-7-13-12(18(2)15)17-11(9)14/h3-6H,7H2,1-2H3",IVCVQRJWYKCARE,UHFFFAOYSA,N,Sinalbin A,IVCVQRJWYKCARE-UHFFFAOYSA-N
HMDB36651,488.350174646,C30H48O5,[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@@H](O)C2(C)C,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23-,26+,27-,28-,29-,30+/m1/s1",OXVUXGFZHDKYLS,QUFHAEKXSA,N,Euscaphic acid,OXVUXGFZHDKYLS-QUFHAEKXSA-N
HMDB36652,486.334524582,C30H46O5,[H][C@@]12[C@@H](C)[C@@](C)(O)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC(O)C(=O)C(C)(C)C3CC[C@@]12C)C(O)=O,"InChI=1S/C30H46O5/c1-17-22-18-8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)10-11-28(21,6)27(18,5)12-14-30(22,24(33)34)15-13-29(17,7)35/h8,17,19-22,31,35H,9-16H2,1-7H3,(H,33,34)/t17-,19?,20?,21?,22+,26+,27-,28-,29+,30-/m1/s1",UYHSBQDAYWOYNS,LDQQKAIHSA,N,"(2xi,20beta)-2,20-Dihydroxy-3-oxo-12-ursen-28-oic acid",UYHSBQDAYWOYNS-LDQQKAIHSA-N
HMDB36653,454.344695338,C30H46O3,[H][C@@]12[C@@H](C)C(=C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O,"InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,19,21-24,31H,1,9-17H2,2-7H3,(H,32,33)/t19-,21?,22?,23-,24-,27-,28+,29+,30-/m0/s1",RSYAFUAKPCXDDM,VLFSOLQESA,N,Micromeric acid,RSYAFUAKPCXDDM-VLFSOLQESA-N
HMDB36654,472.355260024,C30H48O4,[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O)C(C)(C)C3C[C@@H](O)[C@@]12C)C(O)=O,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21?,22+,23-,24+,27-,28-,29+,30+/m1/s1",DZLAZTJTKXGAGR,SACTXEEHSA,N,Rubitic acid,DZLAZTJTKXGAGR-SACTXEEHSA-N
HMDB36655,470.33960996,C30H46O4,[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CCC(=O)C(C)(C)C3C[C@@H](O)[C@@]12C)C(O)=O,"InChI=1S/C30H46O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-21,23-24,32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21?,23-,24+,27-,28-,29+,30+/m1/s1",MFYBXHRQBFYAQZ,MNPGUHGCSA,N,Rubinic acid,MFYBXHRQBFYAQZ-MNPGUHGCSA-N
HMDB36656,958.513730314,C48H78O19,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3",WYQVAPGDARQUBT,UHFFFAOYSA,N,Asiaticoside,WYQVAPGDARQUBT-UHFFFAOYSA-N
HMDB36657,426.386166222,C30H50O,[H][C@@]12[C@H](C)[C@@H](C)CC[C@]1(C)CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22?,23?,24-,25-,27+,28-,29+,30+/m0/s1",FSLPMRQHCOLESF,QJYIJPODSA,N,Epi-alpha-amyrin,FSLPMRQHCOLESF-QJYIJPODSA-N
HMDB36658,468.396730908,C32H52O2,CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1C,"InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3",UDXDFWBZZQHDRO,UHFFFAOYSA,N,alpha-Amyrin acetate,UDXDFWBZZQHDRO-UHFFFAOYSA-N
HMDB36659,424.370516158,C30H48O,CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C,"InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3",DIFWJJFSELKWGA,UHFFFAOYSA,N,alpha-Amyrone,DIFWJJFSELKWGA-UHFFFAOYSA-N
HMDB36660,664.615831804,C46H80O2,[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C3CC[C@@]12C,"InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3/t34-,35+,37?,38?,39+,41+,43-,44+,45-,46-/m1/s1",BHPGRVQWTLDDQX,YJUDZGFYSA,N,alpha-Amyrin palmitate,BHPGRVQWTLDDQX-YJUDZGFYSA-N
HMDB36661,346.178023942,C20H26O5,CC(C)C1=CC2=C(C(O)=C1O)C13CCCC(C)(C)C1C(O)C2OC3=O,"InChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3",UXVPWKDITRJELA,UHFFFAOYSA,N,Isorosmanol,UXVPWKDITRJELA-UHFFFAOYSA-N
HMDB36662,278.115423686,C15H18O5,C\C1=C\C2OC(=O)C(=C)C2C(O)C(=O)\C(C)=C/C(O)C1,"InChI=1S/C15H18O5/c1-7-4-10(16)6-8(2)13(17)14(18)12-9(3)15(19)20-11(12)5-7/h5-6,10-12,14,16,18H,3-4H2,1-2H3/b7-5-,8-6-",BPDUDXQLWXZOHB,SFECMWDFSA,N,"2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide",BPDUDXQLWXZOHB-SFECMWDFSA-N
HMDB36663,252.172544634,C15H24O3,CC1C2CC\C(C)=C/CC(O)C(C)CC2OC1=O,"InChI=1S/C15H24O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-14,16H,4,6-8H2,1-3H3/b9-5-",LAOQYXNUSDEVJK,UITAMQMPSA,N,Hydroxypelenolide,LAOQYXNUSDEVJK-UITAMQMPSA-N
HMDB36664,250.15689457,C15H22O3,CC1C2CC\C(C)=C/CC(=O)C(C)CC2OC1=O,"InChI=1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-12,14H,4,6-8H2,1-3H3/b9-5-",KLZWSNKEPLKAOS,UITAMQMPSA,N,Ketopelenolide a,KLZWSNKEPLKAOS-UITAMQMPSA-N
HMDB36665,364.188588628,C20H28O6,C\C=C(/C)C(=O)OC1C2OC2(C)CCCC(C)C(O)C2OC(=O)C(=C)C12,"InChI=1S/C20H28O6/c1-6-10(2)18(22)25-16-13-12(4)19(23)24-15(13)14(21)11(3)8-7-9-20(5)17(16)26-20/h6,11,13-17,21H,4,7-9H2,1-3,5H3/b10-6+",ZMXFZZOCUKHAFO,UXBLZVDNSA,N,Blumealactone A,ZMXFZZOCUKHAFO-UXBLZVDNSA-N
HMDB36666,364.188588628,C20H28O6,CC1CCCC2(C)OC2C(OC(=O)C=C(C)C)C2C(OC(=O)C2=C)C1O,"InChI=1S/C20H28O6/c1-10(2)9-13(21)24-17-14-12(4)19(23)25-16(14)15(22)11(3)7-6-8-20(5)18(17)26-20/h9,11,14-18,22H,4,6-8H2,1-3,5H3",UMHQHFHQQZZQGN,UHFFFAOYSA,N,Blumealactone B,UMHQHFHQQZZQGN-UHFFFAOYSA-N
HMDB36667,218.167065326,C15H22O,C\C1=C\CC(C)(C)\C=C\C(=O)\C(C)=C/CC1,"InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8-,13-7-",GIHNTRQPEMKFKO,RTTFEGKLSA,N,Zerumbone,GIHNTRQPEMKFKO-RTTFEGKLSA-N
HMDB36668,236.177630012,C15H24O2,C\C1=C\CC(C)(C)\C=C\C(OO)\C(C)=C/CC1,"InChI=1S/C15H24O2/c1-12-6-5-7-13(2)14(17-16)9-11-15(3,4)10-8-12/h7-9,11,14,16H,5-6,10H2,1-4H3/b11-9+,12-8-,13-7-",MMMUNNUIKCPGAL,RTTFEGKLSA,N,Humulene-8-hydroperoxide,MMMUNNUIKCPGAL-RTTFEGKLSA-N
HMDB36669,180.115029756,C11H16O2,CC1(C)C2CC1C(COC=O)=CC2,"InChI=1S/C11H16O2/c1-11(2)9-4-3-8(6-13-7-12)10(11)5-9/h3,7,9-10H,4-6H2,1-2H3",QHPJGDWWLWJMPM,UHFFFAOYSA,N,(+)-Myrtenyl formate,QHPJGDWWLWJMPM-UHFFFAOYSA-N
HMDB36670,504.345089268,C30H48O6,[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C3[C@H](O)C[C@@]12C)C(O)=O,"InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21?,22+,23?,24+,26-,27+,28-,29-,30+/m1/s1",PRAUVHZJPXOEIF,VGKQSNDQSA,N,6beta-Hydroxyasiatic acid,PRAUVHZJPXOEIF-VGKQSNDQSA-N
HMDB36671,470.33960996,C30H46O4,[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C,"InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1",YIMHGPSYDOGBPI,YZCVQEKWSA,N,11-Keto-beta-boswellic acid,YIMHGPSYDOGBPI-YZCVQEKWSA-N
HMDB36672,512.350174646,C32H48O5,C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C,"InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23?,24-,25+,26?,28-,29+,30-,31-,32-/m1/s1",HMMGKOVEOFBCAU,MFIYSICPSA,N,3alpha-Acetoxy-11-keto-beta-boswellic acid,HMMGKOVEOFBCAU-MFIYSICPSA-N
HMDB36673,526.36582471,C33H50O5,[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)C2[C@@]3(C)CC[C@@H](OC(C)=O)[C@@](C)(C3CC[C@@]12C)C(=O)OC,"InChI=1S/C33H50O5/c1-19-10-13-29(4)16-17-31(6)22(26(29)20(19)2)18-23(35)27-30(5)14-12-25(38-21(3)34)33(8,28(36)37-9)24(30)11-15-32(27,31)7/h18-20,24-27H,10-17H2,1-9H3/t19-,20+,24?,25-,26+,27?,29-,30+,31-,32-,33-/m1/s1",LFLJTCVAAOWHTD,BHPNAFPPSA,N,3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid,LFLJTCVAAOWHTD-BHPNAFPPSA-N
HMDB36674,498.370910088,C32H50O4,[H][C@@]12[C@@H](C)[C@H](C)CC[C@]11CC[C@]3(C)[C@@]2(CCC2[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4CC[C@@]32C)OC1=O,"InChI=1S/C32H50O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h19-20,22-25H,9-18H2,1-8H3/t19-,20+,22?,23?,24+,25-,28+,29-,30+,31+,32+/m1/s1",NJLCBLDWBHWOFU,KEEAFDKNSA,N,Ursololactone,NJLCBLDWBHWOFU-KEEAFDKNSA-N
HMDB36675,456.360345402,C30H48O3,[H][C@@]12[C@@H](C)[C@H](C)CC[C@]11CC[C@]3(C)[C@@]2(CCC2[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]32C)OC1=O,"InChI=1S/C30H48O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h18-23,31H,8-17H2,1-7H3/t18-,19+,20?,21?,22+,23-,26+,27-,28+,29+,30+/m1/s1",JGZVNQDYYGVIBP,DCIJUUGPSA,N,"3beta-Hydroxy-28,13-ursanolide",JGZVNQDYYGVIBP-DCIJUUGPSA-N
HMDB36676,426.386166222,C30H50O,[H][C@@]12[C@@H](C)C(C)=CC[C@]1(C)CC[C@]1(C)[C@]2([H])[C@H](O)CC2[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C,"InChI=1S/C30H50O/c1-19-10-14-27(5)16-17-30(8)25(24(27)20(19)2)21(31)18-23-28(6)13-9-12-26(3,4)22(28)11-15-29(23,30)7/h10,20-25,31H,9,11-18H2,1-8H3/t20-,21+,22?,23?,24-,25+,27+,28-,29+,30+/m0/s1",VBUWOXTVZDSTHP,HHCMUIRZSA,N,12beta-20-Ursen-12-ol,VBUWOXTVZDSTHP-HHCMUIRZSA-N
HMDB36677,346.141638436,C19H22O6,CC1=CC(O\C=C2/C3CC4=C(C3OC2=O)C(C)(C)CCC4O)OC1=O,"InChI=1S/C19H22O6/c1-9-6-14(24-17(9)21)23-8-12-10-7-11-13(20)4-5-19(2,3)15(11)16(10)25-18(12)22/h6,8,10,13-14,16,20H,4-5,7H2,1-3H3/b12-8+",VOFXXOPWCBSPAA,XYOKQWHBSA,N,Strigol,VOFXXOPWCBSPAA-XYOKQWHBSA-N
HMDB36678,204.187800768,C15H24,CC(C)=CCCC1(C)[C@H]2C[C@@H]1C(C)=CC2,"InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15?/m1/s1",YMBFCQPIMVLNIU,GRKKQISMSA,N,alpha-Bergamotene,YMBFCQPIMVLNIU-GRKKQISMSA-N
HMDB36679,222.198365454,C15H26O,CC(C)C1CCC2(C)CCCC2C1C(C)=O,"InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-13(15)14(12)11(3)16/h10,12-14H,5-9H2,1-4H3",SSCVGFQOFLDIGI,UHFFFAOYSA,N,Faurinone,SSCVGFQOFLDIGI-UHFFFAOYSA-N
HMDB36680,236.177630012,C15H24O2,CC(=C)C1CCC2(C)CCC(O)C2(C1)C(C)=O,"InChI=1S/C15H24O2/c1-10(2)12-5-7-14(4)8-6-13(17)15(14,9-12)11(3)16/h12-13,17H,1,5-9H2,2-4H3",YALFFHSIVPCNLF,UHFFFAOYSA,N,Cyperolone,YALFFHSIVPCNLF-UHFFFAOYSA-N
HMDB36681,178.135765198,C12H18O,CC(C)C1CC2CC(=O)C1C=C2C,"InChI=1S/C12H18O/c1-7(2)10-5-9-6-12(13)11(10)4-8(9)3/h4,7,9-11H,5-6H2,1-3H3",JGWYWWRNBCMLOE,UHFFFAOYSA,N,7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one,JGWYWWRNBCMLOE-UHFFFAOYSA-N
HMDB36682,204.187800768,C15H24,CC(C)C1CC(C)C2(C)CC=C(C)C=C12,"InChI=1S/C15H24/c1-10(2)13-9-12(4)15(5)7-6-11(3)8-14(13)15/h6,8,10,12-13H,7,9H2,1-5H3",IVBZYUKCNLJUDA,UHFFFAOYSA,N,Cascarilladiene,IVBZYUKCNLJUDA-UHFFFAOYSA-N
HMDB36683,174.140850576,C13H18,CC1=CC=C2C1(C)C=CCC2(C)C,"InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3",XOFDOXJFXCEFDE,UHFFFAOYSA,N,"5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene",XOFDOXJFXCEFDE-UHFFFAOYSA-N
HMDB36684,192.151415262,C13H20O,CC1C(O)C=C2C1(C)C=CCC2(C)C,"InChI=1S/C13H20O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-10,14H,6H2,1-4H3",MHUYBIUXLMLCJM,UHFFFAOYSA,N,"2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol",MHUYBIUXLMLCJM-UHFFFAOYSA-N
HMDB36685,190.135765198,C13H18O,CC1C(=O)C=C2C1(C)C=CCC2(C)C,"InChI=1S/C13H18O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-9H,6H2,1-4H3",KTDAEZJBJUWAPC,UHFFFAOYSA,N,"2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one",KTDAEZJBJUWAPC-UHFFFAOYSA-N
HMDB36686,208.146329884,C13H20O2,C[C@]1(O)[C@H](O)C=C2[C@@]1(C)C=CCC2(C)C,"InChI=1S/C13H20O2/c1-11(2)6-5-7-12(3)9(11)8-10(14)13(12,4)15/h5,7-8,10,14-15H,6H2,1-4H3/t10-,12-,13+/m1/s1",SKBCVUCDJRKPAH,RTXFEEFZSA,N,"2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol",SKBCVUCDJRKPAH-RTXFEEFZSA-N
HMDB36687,236.177630012,C15H24O2,CC1C2CC(CC1O)C2(C)CC(=O)C=C(C)C,"InChI=1S/C15H24O2/c1-9(2)5-12(16)8-15(4)11-6-13(15)10(3)14(17)7-11/h5,10-11,13-14,17H,6-8H2,1-4H3",TZZOUTYFTVJIFX,UHFFFAOYSA,N,Tanavulgarol,TZZOUTYFTVJIFX-UHFFFAOYSA-N
HMDB36688,232.146329884,C15H20O2,C\C1=C\CC\C(C)=C/C2OC(=O)C(=C)C2CC1,"InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5-,11-9-",HRYLQFBHBWLLLL,GYIATTAWSA,N,Costunolide,HRYLQFBHBWLLLL-GYIATTAWSA-N
HMDB36689,350.172938564,C19H26O6,CC1C2C(OC1=O)\C=C(C)\C(C\C=C(C)\CC2OC(C)=O)OC(C)=O,"InChI=1S/C19H26O6/c1-10-6-7-15(23-13(4)20)11(2)9-17-18(12(3)19(22)25-17)16(8-10)24-14(5)21/h6,9,12,15-18H,7-8H2,1-5H3/b10-6+,11-9+",OHMAVTDVTQMMMR,BBYAVRKXSA,N,Millefin,OHMAVTDVTQMMMR-BBYAVRKXSA-N
HMDB36690,346.178023937,C20H26O5,C\C=C(\C)C(=O)OC1C\C(C)=C\CC(O)\C(C)=C\C2OC(=O)C(=C)C12,"InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+",QFINJHBXXJQKPB,QLDBJWRKSA,N,3-Epinobilin,QFINJHBXXJQKPB-QLDBJWRKSA-N
HMDB36691,344.162373878,C20H24O5,C\C=C(\C)C(=O)OC1C\C(C)=C\CC(=O)\C(C)=C\C2OC(=O)C(=C)C12,"InChI=1S/C20H24O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,16-18H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+",FKDIIXZIKCNXAT,QLDBJWRKSA,N,3-Dehydronobilin,FKDIIXZIKCNXAT-QLDBJWRKSA-N
HMDB36692,362.172938564,C20H26O6,C\C=C(/C)C(=O)OC1CC2(C)OC2CC(O)\C(C)=C/C2OC(=O)C(=C)C12,"InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7-",DZTWAOVNNLDWNH,QZTBCQRESA,N,Heliangin,DZTWAOVNNLDWNH-QZTBCQRESA-N
HMDB36693,292.167459256,C17H24O4,CC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2OC(C)=O,"InChI=1S/C17H24O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,12,14-16H,5,7-8H2,1-4H3/b10-6+,11-9+",MNQOAYZWZSDAKZ,BBYAVRKXSA,N,Acetylbalchanolide,MNQOAYZWZSDAKZ-BBYAVRKXSA-N
HMDB36694,378.167853186,C20H26O7,C\C=C(\C)C(=O)OC1CC2(C)OC2CC(O)\C(CO)=C/C2OC(=O)C(=C)C12,"InChI=1S/C20H26O7/c1-5-10(2)18(23)26-15-8-20(4)16(27-20)7-13(22)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-6,13-17,21-22H,3,7-9H2,1-2,4H3/b10-5-,12-6-",WRYLLOROOPMFIC,ZIIBAIFASA,N,15-Hydroxyleptocarpin,WRYLLOROOPMFIC-ZIIBAIFASA-N
HMDB36695,280.13107375,C15H20O5,CC12CC[C@@H](OO)C(C1)=CC[C@@H]1[C@H](OC(=O)C1=C)[C@H]2O,"InChI=1S/C15H20O5/c1-8-10-4-3-9-7-15(2,6-5-11(9)20-18)13(16)12(10)19-14(8)17/h3,10-13,16,18H,1,4-7H2,2H3/b9-3-/t10-,11+,12-,13+,15?/m0/s1",JXXWNBNYEWOORY,MBLZXTHUSA,N,Crispolide,JXXWNBNYEWOORY-MBLZXTHUSA-N
HMDB36696,302.188194698,C19H26O3,CC1(C)C2CCC34CC(C)(C=C3)C(=O)CC4C2(C)C(O)C1=O,"InChI=1S/C19H26O3/c1-16(2)11-5-6-19-8-7-17(3,10-19)13(20)9-12(19)18(11,4)15(22)14(16)21/h7-8,11-12,15,22H,5-6,9-10H2,1-4H3",BSGGRZQAABTTBE,UHFFFAOYSA,N,Yucalexin B'11,BSGGRZQAABTTBE-UHFFFAOYSA-N
HMDB36697,300.20893014,C20H28O2,CC12CCCC(C)(C1C=CC13CC(CCC21)C(=C)C3)C(O)=O,"InChI=1S/C20H28O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h7,10,14-16H,1,4-6,8-9,11-12H2,2-3H3,(H,21,22)",CZTZKVUEUYRGFD,UHFFFAOYSA,N,"ent-6,16-Kauradien-19-oic acid",CZTZKVUEUYRGFD-UHFFFAOYSA-N
HMDB36698,318.219494826,C20H30O3,CC1(C)CCC[C@H]2[C@]3(C)[C@@H](O)C[C@@](C)(C=C)C=C3C(=O)C[C@]12O,"InChI=1S/C20H30O3/c1-6-18(4)10-13-14(21)11-20(23)15(8-7-9-17(20,2)3)19(13,5)16(22)12-18/h6,10,15-16,22-23H,1,7-9,11-12H2,2-5H3/t15-,16-,18-,19+,20+/m0/s1",BWRPYSJNBVBIRP,FLFBIERCSA,N,Ineketone,BWRPYSJNBVBIRP-FLFBIERCSA-N
HMDB36699,421.978249598,C19H12Cl2O5S,OC1=C(Cl)C=C(C=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC(Cl)=C(O)C=C1,"InChI=1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H",WWAABJGNHFGXSJ,UHFFFAOYSA,N,Chlorophenol red,WWAABJGNHFGXSJ-UHFFFAOYSA-N
HMDB36700,332.198759384,C20H28O4,CC12CCCC3(C)C1C(OC2=O)C(O)C12CC(C(O)CC31)C(=C)C2,"InChI=1S/C20H28O4/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3)15(18)14(16(20)22)24-17(19)23/h11-16,21-22H,1,4-9H2,2-3H3",OSYJLXUUZYSFTC,UHFFFAOYSA,N,"ent-7alpha,12beta-Dihydroxy-16-kauren-19,6beta-olide",OSYJLXUUZYSFTC-UHFFFAOYSA-N
HMDB36701,350.20932407,C20H30O5,CC12CCCC(C)(C1C(O)C(O)C13CC(C(O)CC21)C(=C)C3)C(O)=O,"InChI=1S/C20H30O5/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3,17(24)25)15(18)14(22)16(20)23/h11-16,21-23H,1,4-9H2,2-3H3,(H,24,25)",GDUDOACZUAVXMK,UHFFFAOYSA,N,"(ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid",GDUDOACZUAVXMK-UHFFFAOYSA-N
HMDB36702,304.240230268,C20H32O2,CC1=CC23CC1CCC2C1(C)CCCC(C)(CO)C1CC3O,"InChI=1S/C20H32O2/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h10,14-17,21-22H,4-9,11-12H2,1-3H3",BATFJLLEMUIAJD,UHFFFAOYSA,N,Sideridiol,BATFJLLEMUIAJD-UHFFFAOYSA-N
HMDB36703,302.224580204,C20H30O2,CC1=CC23CC1CCC2C1(C)CCCC(C)(CO)C1CC3=O,"InChI=1S/C20H30O2/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h10,14-16,21H,4-9,11-12H2,1-3H3",CTULHRFLFQFJDU,UHFFFAOYSA,N,Siderone,CTULHRFLFQFJDU-UHFFFAOYSA-N
HMDB36704,362.245709576,C22H34O4,CC(=O)OC1CC2C(C)(CO)CCCC2(C)C2CCC3CC12C1OC31C,"InChI=1S/C22H34O4/c1-13(24)25-17-10-16-19(2,12-23)8-5-9-20(16,3)15-7-6-14-11-22(15,17)18-21(14,4)26-18/h14-18,23H,5-12H2,1-4H3",YSPZBZPFWJQSQN,UHFFFAOYSA,N,Epoxysiderol,YSPZBZPFWJQSQN-UHFFFAOYSA-N
HMDB36705,320.23514489,C20H32O3,CC12OC1C13CC2CCC1C1(C)CCCC(C)(CO)C1CC3O,"InChI=1S/C20H32O3/c1-17(11-21)7-4-8-18(2)13-6-5-12-10-20(13,15(22)9-14(17)18)16-19(12,3)23-16/h12-16,21-22H,4-11H2,1-3H3",BDWKHKXSYDEDRO,UHFFFAOYSA,N,Ucriol,BDWKHKXSYDEDRO-UHFFFAOYSA-N
HMDB36706,318.219494826,C20H30O3,CC12CCCC(C)(C1CCC13CC(=C)C(O)(C1)CCC23)C(O)=O,"InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)",QFVOYBUQQBFCRH,UHFFFAOYSA,N,Steviol,QFVOYBUQQBFCRH-UHFFFAOYSA-N
HMDB36707,642.325141686,C32H50O13,CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(O)=O,"InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)",OMHUCGDTACNQEX,UHFFFAOYSA,N,Steviobioside,OMHUCGDTACNQEX-UHFFFAOYSA-N
HMDB36708,788.383050494,C38H60O17,CC1OC(OC2C(O)C(O)C(CO)OC2OC23CC4(CC2=C)CCC2C(C)(CCCC2(C)C(=O)OC2OC(CO)C(O)C(O)C2O)C4CC3)C(O)C(O)C1O,"InChI=1S/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3",CANAPGLEBDTCAF,UHFFFAOYSA,N,Dulcoside A,CANAPGLEBDTCAF-UHFFFAOYSA-N
HMDB36709,302.224580204,C20H30O2,CC12CC3(CCC4C(C)(C)C(O)CCC4(C)C3CC1=O)C=C2,"InChI=1S/C20H30O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-15,21H,5-8,11-12H2,1-4H3",JPKPHLVETUEKFT,UHFFFAOYSA,N,Yucalexin B14,JPKPHLVETUEKFT-UHFFFAOYSA-N
HMDB36710,300.20893014,C20H28O2,CC12CC3(CCC4C(C)(C)C(=O)CCC4(C)C3CC1=O)C=C2,"InChI=1S/C20H28O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-14H,5-8,11-12H2,1-4H3",ZUZSPZMYVHKHKO,UHFFFAOYSA,N,Yucalexin B16,ZUZSPZMYVHKHKO-UHFFFAOYSA-N
HMDB36711,300.20893014,C20H28O2,CC12CC3(CCC4C(C)(C)CC(=O)CC4(C)C3CC1=O)C=C2,"InChI=1S/C20H28O2/c1-17(2)10-13(21)11-19(4)14(17)5-6-20-8-7-18(3,12-20)16(22)9-15(19)20/h7-8,14-15H,5-6,9-12H2,1-4H3",RZYJVISOEJBOKP,UHFFFAOYSA,N,Yucalexin B7,RZYJVISOEJBOKP-UHFFFAOYSA-N
HMDB36712,318.219494826,C20H30O3,CC12CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1O)C=C2,"InChI=1S/C20H30O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-16,22-23H,5-6,9-11H2,1-4H3",RFHATUKAQMWSEN,UHFFFAOYSA,N,Yucalexin B20,RFHATUKAQMWSEN-UHFFFAOYSA-N
HMDB36713,318.219494826,C20H30O3,CC12CC3(CCC4C(C)(C)C(O)C(O)CC4(C)C3CC1=O)C=C2,"InChI=1S/C20H30O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,12-14,16,21,23H,5-6,9-11H2,1-4H3",ISQMANNAFDGSCG,UHFFFAOYSA,N,Yucalexin B22,ISQMANNAFDGSCG-UHFFFAOYSA-N
HMDB36714,496.115817616,C29H20O8,OC1=CC=C(\C=C\C2=CC(O)=CC3=C2C2(C(OC4=C2C(O)=CC(O)=C4)C2=CC=C(O)C=C2)C(=O)O3)C=C1,"InChI=1S/C29H20O8/c30-18-7-2-15(3-8-18)1-4-17-11-20(32)13-23-25(17)29(28(35)37-23)26-22(34)12-21(33)14-24(26)36-27(29)16-5-9-19(31)10-6-16/h1-14,27,30-34H/b4-1+",YOJXOIWMUVWNAB,DAFODLJHSA,N,Yuccaol A,YOJXOIWMUVWNAB-DAFODLJHSA-N
HMDB36715,200.104859,C10H16O4,CCCCCC#CC(O)C(O)C(O)=O,"InChI=1S/C10H16O4/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,11-12H,2-5H2,1H3,(H,13,14)",VSKXYKGCLVJSEW,UHFFFAOYSA,N,Matsutakic acid A,VSKXYKGCLVJSEW-UHFFFAOYSA-N
HMDB36716,220.18271539,C15H24O,C\C(CO)=C\CC[C@]1(C)[C@H]2CC[C@H](C2)C1=C,"InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15+/m1/s1",OJYKYCDSGQGTRJ,GQYWAMEOSA,N,beta-Santalol,OJYKYCDSGQGTRJ-GQYWAMEOSA-N
HMDB36717,220.18271539,C15H24O,C\C(CO)=C/CC[C@]1(C)[C@H]2CC[C@H](C2)C1=C,"InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+/t13-,14+,15+/m1/s1",OJYKYCDSGQGTRJ,BFONTGBQSA,N,trans-beta-Santalol,OJYKYCDSGQGTRJ-BFONTGBQSA-N
HMDB36718,218.167065326,C15H22O,C\C(C=O)=C\CCC1(C)C2CCC(C2)C1=C,"InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,10,13-14H,2,4,6-9H2,1,3H3/b11-5-",YFOIGZMLDYUPOI,WZUFQYTHSA,N,beta-Santalal,YFOIGZMLDYUPOI-WZUFQYTHSA-N
HMDB36719,164.120115134,C11H16O,CC1(CC=O)C2CCC(C2)C1=C,"InChI=1S/C11H16O/c1-8-9-3-4-10(7-9)11(8,2)5-6-12/h6,9-10H,1,3-5,7H2,2H3",DQFZAJLLIXCPGQ,UHFFFAOYSA,N,Norbicycloekasantalal,DQFZAJLLIXCPGQ-UHFFFAOYSA-N
HMDB36720,328.167459256,C20H24O4,COC1=CC=C(C=C1)C1OC(C)C(OC1C)C1=CC=C(OC)C=C1,"InChI=1S/C20H24O4/c1-13-19(15-5-9-17(21-3)10-6-15)24-14(2)20(23-13)16-7-11-18(22-4)12-8-16/h5-14,19-20H,1-4H3",TWEGIGPRPZZEHS,UHFFFAOYSA,N,Verimol H,TWEGIGPRPZZEHS-UHFFFAOYSA-N
HMDB36721,304.240230268,C20H32O2,CC1(CCCC2(C)C3CCC4CC3(CC4CO)CCC12)C=O,"InChI=1S/C20H32O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h13-17,21H,3-12H2,1-2H3",ACXLVKYMISNUFD,UHFFFAOYSA,N,ent-17-Hydroxy-16beta-kauran-19-al,ACXLVKYMISNUFD-UHFFFAOYSA-N
HMDB36722,346.250794954,C22H34O3,CC(=O)OCC1CC23CC1CCC2C1(C)CCCC(C)(C=O)C1CC3,"InChI=1S/C22H34O3/c1-15(24)25-13-17-12-22-10-7-18-20(2,14-23)8-4-9-21(18,3)19(22)6-5-16(17)11-22/h14,16-19H,4-13H2,1-3H3",AXCCTUATUTWPBD,UHFFFAOYSA,N,ent-17-Acetoxy-16b-kauran-19-al,AXCCTUATUTWPBD-UHFFFAOYSA-N
HMDB36723,290.26096571,C20H34O,CC1(O)CC23CC1CCC2C1(C)CCCC(C)(C)C1CC3,"InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3",FZSRMADKTOBCNT,UHFFFAOYSA,N,(ent-16alpha)-16-Kauranol,FZSRMADKTOBCNT-UHFFFAOYSA-N
HMDB36724,318.219494826,C20H30O3,CC12CCCC(C)(C1CCC13CC(CCC21)C(CO)=C3)C(O)=O,"InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)",XEQHVCXFKPCQNM,UHFFFAOYSA,N,ent-17-Hydroxy-15-kauren-19-oic acid,XEQHVCXFKPCQNM-UHFFFAOYSA-N
HMDB36725,316.203844762,C20H28O3,CC12CCCC(C)(C1CCC13CC(CCC21)C(C=O)=C3)C(O)=O,"InChI=1S/C20H28O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11-13,15-16H,3-10H2,1-2H3,(H,22,23)",DIURMAFIAYOVGU,UHFFFAOYSA,N,ent-17-Oxo-15-kauren-19-oic acid,DIURMAFIAYOVGU-UHFFFAOYSA-N
HMDB36726,332.198759384,C20H28O4,CC12CCCC(C)(C1CCC13CC(CCC21)C(=C3)C(O)=O)C(O)=O,"InChI=1S/C20H28O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h11-12,14-15H,3-10H2,1-2H3,(H,21,22)(H,23,24)",YQNLDLVKFNZFTI,UHFFFAOYSA,N,"ent-15-Kaurene-17,19-dioic acid",YQNLDLVKFNZFTI-UHFFFAOYSA-N
HMDB36727,288.245315646,C20H32O,CC1(CO)CCCC2(C)C3CCC4CC3(CC4=C)CCC12,"InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3",TUJQVRFWMWRMIO,UHFFFAOYSA,N,ent-16-Kauren-19-ol,TUJQVRFWMWRMIO-UHFFFAOYSA-N
HMDB36728,286.229665582,C20H30O,CC1(CCCC2(C)C3CCC4CC3(CC4=C)CCC12)C=O,"InChI=1S/C20H30O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h13,15-17H,1,4-12H2,2-3H3",JCAVDWHQNFTFBW,UHFFFAOYSA,N,ent-16-Kauren-19-al,JCAVDWHQNFTFBW-UHFFFAOYSA-N
HMDB36729,316.240230268,C21H32O2,COC(=O)C1(C)CCCC2(C)C3CCC4CC3(CC4=C)CCC12,"InChI=1S/C21H32O2/c1-14-12-21-11-8-16-19(2,17(21)7-6-15(14)13-21)9-5-10-20(16,3)18(22)23-4/h15-17H,1,5-13H2,2-4H3",DWTRNJFPDXIFSY,UHFFFAOYSA,N,Kaurenoic acid methyl ester,DWTRNJFPDXIFSY-UHFFFAOYSA-N
HMDB36730,238.193280076,C15H26O2,CC12CC1C1C(CC1(C)C)C(C)(O)CCC2O,"InChI=1S/C15H26O2/c1-13(2)7-10-12(13)9-8-14(9,3)11(16)5-6-15(10,4)17/h9-12,16-17H,5-8H2,1-4H3",USFOCJBPTUMHRF,UHFFFAOYSA,N,Tricyclohumuladiol,USFOCJBPTUMHRF-UHFFFAOYSA-N
HMDB36731,204.187800768,C15H24,CC1(C)CC23CCC1C2(C)CCCC3=C,"InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h12H,1,5-10H2,2-4H3",BUDWHMNUSAOQBI,UHFFFAOYSA,N,beta-Neoclovene,BUDWHMNUSAOQBI-UHFFFAOYSA-N
HMDB36732,222.198365454,C15H26O,[H][C@]12CC(C)(C)C[C@@]1([H])[C@]1(C)CCC[C@@]2(C)C1O,"InChI=1S/C15H26O/c1-13(2)8-10-11(9-13)15(4)7-5-6-14(10,3)12(15)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12?,14+,15-",MJYUBUQHKCAJQR,YABAYLBRSA,N,alpha-Caryophyllene alcohol,MJYUBUQHKCAJQR-YABAYLBRSA-N
HMDB36733,218.167065326,C15H22O,CC1=CC2C3C(=O)C1C3(C)CCCC2(C)C,"InChI=1S/C15H22O/c1-9-8-10-12-13(16)11(9)15(12,4)7-5-6-14(10,2)3/h8,10-12H,5-7H2,1-4H3",KKQDNHZABGRCAS,UHFFFAOYSA,N,Vulgarone A,KKQDNHZABGRCAS-UHFFFAOYSA-N
HMDB36734,192.115029756,C12H16O2,CC1CC(=O)C=C(C)C11CCC(=O)C1,"InChI=1S/C12H16O2/c1-8-5-11(14)6-9(2)12(8)4-3-10(13)7-12/h5,9H,3-4,6-7H2,1-2H3",OGDKSKNHHSXJNA,UHFFFAOYSA,N,"11,12,13-Trinor-1(10)-spirovetivene-2,7-dione",OGDKSKNHHSXJNA-UHFFFAOYSA-N
HMDB36735,326.100167552,C15H18O8,[H][C@]12C[C@@](O)(C(C)(C)C)[C@]34[C@H](O)C(=O)O[C@@]3([H])OC(=O)[C@]14CC(=O)O2,"InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8+,11-,13-,14+,15+/m0/s1",MOLPUWBMSBJXER,NRSGSQFTSA,N,Bilobalide A,MOLPUWBMSBJXER-NRSGSQFTSA-N
HMDB36736,204.187800768,C15H24,CC1CCC2=C1CC1CCC2(C)C1(C)C,"InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3",CSKINCSXMLCMAR,UHFFFAOYSA,N,beta-Patchoulene,CSKINCSXMLCMAR-UHFFFAOYSA-N
HMDB36737,204.187800768,C15H24,CC1CC=C2C1CC1CCC2(C)C1(C)C,"InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h6,10-12H,5,7-9H2,1-4H3",CGKPYZICXYDFLF,UHFFFAOYSA,N,delta-Patchoulene,CGKPYZICXYDFLF-UHFFFAOYSA-N
HMDB36738,240.07864425,C15H12O3,CC1=C2CCC(=C)C2=C2OC(=O)C(C=O)=C2C=C1,"InChI=1S/C15H12O3/c1-8-3-6-11-12(7-16)15(17)18-14(11)13-9(2)4-5-10(8)13/h3,6-7H,2,4-5H2,1H3",PATCUDSVUMFCMB,UHFFFAOYSA,N,Lettucenin A,PATCUDSVUMFCMB-UHFFFAOYSA-N
HMDB36739,542.121296924,C30H22O10,COC1=C(O)C=C(\C=C\C2=CC(O)=CC3=C2C2(C(OC4=C2C(O)=CC(O)=C4)C2=CC=C(O)C=C2)C(=O)O3)C=C1O,"InChI=1S/C30H22O10/c1-38-27-21(35)8-14(9-22(27)36)2-3-16-10-18(32)12-23-25(16)30(29(37)40-23)26-20(34)11-19(33)13-24(26)39-28(30)15-4-6-17(31)7-5-15/h2-13,28,31-36H,1H3/b3-2+",UMQRRGZFEXVPFD,NSCUHMNNSA,N,Yuccaol C,UMQRRGZFEXVPFD-NSCUHMNNSA-N
HMDB36740,318.255880332,C21H34O2,CCCCC\C=C\C\C=C\CCCCC\C=C\C(=O)\C=C\CO,"InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-17-20-22/h6-7,9-10,16-19,22H,2-5,8,11-15,20H2,1H3/b7-6+,10-9+,18-16+,19-17+",QQWDVOVXGKHITR,MORWAMEYSA,N,"(2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one",QQWDVOVXGKHITR-MORWAMEYSA-N
HMDB36741,320.271530396,C21H36O2,CCCCC\C=C\C\C=C\CCCCCCCC(=O)\C=C\CO,"InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-17-20-22/h6-7,9-10,17,19,22H,2-5,8,11-16,18,20H2,1H3/b7-6+,10-9+,19-17+",HYSAQRFMZWHDTN,ZLMPDQHQSA,N,"1-Hydroxy-2,12,15-heneicosatrien-4-one",HYSAQRFMZWHDTN-ZLMPDQHQSA-N
HMDB36742,498.173726424,C23H30O12,CC(C)(O)C1CCC(=CC1)C(=O)OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C23H30O12/c1-23(2,32)12-5-3-10(4-6-12)20(30)33-9-15-17(27)18(28)19(29)22(34-15)35-21(31)11-7-13(24)16(26)14(25)8-11/h3,7-8,12,15,17-19,22,24-29,32H,4-6,9H2,1-2H3",GMBUWWLCKJYTTG,UHFFFAOYSA,N,Eucaglobulin,GMBUWWLCKJYTTG-UHFFFAOYSA-N
HMDB36743,916.897532956,C64H116O2,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC32C)C1(C)C,"InChI=1S/C64H116O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-58(65)66-57-46-48-62(7)55(60(57,4)5)45-49-64(9)56(62)43-42-54-59-53(3)52(2)44-47-61(59,6)50-51-63(54,64)8/h42,52-53,55-57,59H,10-41,43-51H2,1-9H3",JQGZKTFAYYVRDZ,UHFFFAOYSA,N,alpha-Amyrin tetratriacontanoate,JQGZKTFAYYVRDZ-UHFFFAOYSA-N
HMDB36744,804.772332444,C56H100O2,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC32C)C1(C)C,"InChI=1S/C56H100O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-50(57)58-49-38-40-54(7)47(52(49,4)5)37-41-56(9)48(54)35-34-46-51-45(3)44(2)36-39-53(51,6)42-43-55(46,56)8/h34,44-45,47-49,51H,10-33,35-43H2,1-9H3",FCEBVFZAUVYHIN,UHFFFAOYSA,N,alpha-Amyrin cerotate,FCEBVFZAUVYHIN-UHFFFAOYSA-N
HMDB36745,554.360739332,C34H50O6,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(OC(C)=O)C(OC(C)=O)C(C)(C)C5CCC34C)C2=C1C)C(O)=O,"InChI=1S/C34H50O6/c1-19-12-15-34(29(37)38)17-16-32(8)23(27(34)20(19)2)10-11-26-31(7)18-24(39-21(3)35)28(40-22(4)36)30(5,6)25(31)13-14-33(26,32)9/h10,19,24-26,28H,11-18H2,1-9H3,(H,37,38)",NKUPBVVFDCQLGE,UHFFFAOYSA,N,"(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate",NKUPBVVFDCQLGE-UHFFFAOYSA-N
HMDB36746,620.21050586,C30H36O14,COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1,"InChI=1S/C30H36O14/c1-37-21-8-14(7-16-10-19(43-28(16)21)15-4-5-18-20(9-15)42-13-41-18)3-2-6-38-30-27(36)25(34)24(33)22(44-30)12-40-29-26(35)23(32)17(31)11-39-29/h4-5,7-10,17,22-27,29-36H,2-3,6,11-13H2,1H3",JKLGFSBPEZTFTQ,UHFFFAOYSA,N,Matsutakeside I,JKLGFSBPEZTFTQ-UHFFFAOYSA-N
HMDB36747,316.203844762,C20H28O3,CC1(CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O)C=C,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)",TWQIAJPCUCIDQX,UHFFFAOYSA,N,"ent-7-Oxo-8(14),15-pimaradien-19-oic acid",TWQIAJPCUCIDQX-UHFFFAOYSA-N
HMDB36748,314.188194698,C20H26O3,CC12C3C(OC1=O)C=C1CC(C)(CCC1C3(C)CCC2=O)C=C,"InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3",MPHXYQVSOFGNEN,UHFFFAOYSA,N,Momilactone A,MPHXYQVSOFGNEN-UHFFFAOYSA-N
HMDB36749,330.18310932,C20H26O4,CC12C3C(OC1=O)C=C1CC(C)(CCC1C31CCC2(O)OC1)C=C,"InChI=1S/C20H26O4/c1-4-17(2)6-5-13-12(10-17)9-14-15-18(3,16(21)24-14)20(22)8-7-19(13,15)11-23-20/h4,9,13-15,22H,1,5-8,10-11H2,2-3H3",SONPFFIKLYCKOY,UHFFFAOYSA,N,Momilactone B,SONPFFIKLYCKOY-UHFFFAOYSA-N
HMDB36750,316.203844762,C20H28O3,CC12CC(O)CC3(C)C1C(OC2=O)C=C1CC(C)(CCC31)C=C,"InChI=1S/C20H28O3/c1-5-18(2)7-6-14-12(9-18)8-15-16-19(14,3)10-13(21)11-20(16,4)17(22)23-15/h5,8,13-16,21H,1,6-7,9-11H2,2-4H3",VSXVHWPQGHHXGS,UHFFFAOYSA,N,Momilactone C,VSXVHWPQGHHXGS-UHFFFAOYSA-N
HMDB36751,272.250401024,C20H32,CC1(C)CCCC2(C)C3CCC(C)(C=C)C=C3CCC12,"InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3",XDSYKASBVOZOAG,UHFFFAOYSA,N,"ent-8(14),15-Pimaradiene",XDSYKASBVOZOAG-UHFFFAOYSA-N
HMDB36752,318.219494826,C20H30O3,CC1(C)C(O)C(=O)CC2(C)C3CC(O)C(C)(C=C)C=C3CCC12,"InChI=1S/C20H30O3/c1-6-19(4)10-12-7-8-15-18(2,3)17(23)14(21)11-20(15,5)13(12)9-16(19)22/h6,10,13,15-17,22-23H,1,7-9,11H2,2-5H3",OKNGHMJLXXXEEZ,UHFFFAOYSA,N,Yucalexin P17,OKNGHMJLXXXEEZ-UHFFFAOYSA-N
HMDB36753,330.18310932,C20H26O4,CC1(C)[C@H](O)C(=O)C[C@]2(C)[C@@H]1CC=C1[C@H](O)[C@@](C)(C=C)C(=O)C=C21,"InChI=1S/C20H26O4/c1-6-19(4)15(22)9-12-11(16(19)23)7-8-14-18(2,3)17(24)13(21)10-20(12,14)5/h6-7,9,14,16-17,23-24H,1,8,10H2,2-5H3/t14-,16+,17-,19+,20+/m1/s1",WNHOOXVMGONUHL,XUMBOQAASA,N,Yucalexin P15,WNHOOXVMGONUHL-XUMBOQAASA-N
HMDB36754,304.240230268,C20H32O2,CC1(C)C(O)CCC2(C)C3CC(O)C(C)(C=C)C=C3CCC12,"InChI=1S/C20H32O2/c1-6-19(4)12-13-7-8-15-18(2,3)16(21)9-10-20(15,5)14(13)11-17(19)22/h6,12,14-17,21-22H,1,7-11H2,2-5H3",BXDBZZUQTQKCEI,UHFFFAOYSA,N,Yucalexin P21,BXDBZZUQTQKCEI-UHFFFAOYSA-N
HMDB36755,330.18310932,C20H26O4,CC1(C)C(O)C(=O)CC2(C)C1CCC13OC1C(C)(C=C)C(=O)C=C23,"InChI=1S/C20H26O4/c1-6-18(4)14(22)9-13-19(5)10-11(21)15(23)17(2,3)12(19)7-8-20(13)16(18)24-20/h6,9,12,15-16,23H,1,7-8,10H2,2-5H3",OYQREFBZDOJEAT,UHFFFAOYSA,N,Yucalexin P8,OYQREFBZDOJEAT-UHFFFAOYSA-N
HMDB36756,352.224974134,C20H32O5,CC12CCCC(C)(C1C(O)C(O)C13CC(CO)C(C1)CCC23)C(O)=O,"InChI=1S/C20H32O5/c1-18-6-3-7-19(2,17(24)25)15(18)14(22)16(23)20-8-11(4-5-13(18)20)12(9-20)10-21/h11-16,21-23H,3-10H2,1-2H3,(H,24,25)",FQXFNQBHZJYODR,UHFFFAOYSA,N,"(ent-6alpha,7alpha,16alphaH)-6,7,17-Trihydroxy-19-kauranoic acid",FQXFNQBHZJYODR-UHFFFAOYSA-N
HMDB36757,456.360345402,C30H48O3,CC1(C)C(O)CCC2(C)C1CCC1=C2CCC2(C)C3CC(C)(CCC3(C)CCC12C)C(O)=O,"InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)",BHVJSLPLFOAMEV,UHFFFAOYSA,N,Bryonolic acid,BHVJSLPLFOAMEV-UHFFFAOYSA-N
HMDB36758,426.386166222,C30H50O,CC1(C)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(O)C(C)(C)C1CC4,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-24,31H,9-19H2,1-8H3",MCSMMGJCXCBSKD,UHFFFAOYSA,N,Isomultiflorenol,MCSMMGJCXCBSKD-UHFFFAOYSA-N
HMDB36759,162.140850576,C12H18,C\C1=C\CC\C(C)=C/C=C\CC1,"InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3/b4-3-,11-7-,12-10-",ACTKFDMFHYIKRY,MBDGBGPPSA,N,Pregeijerene,ACTKFDMFHYIKRY-MBDGBGPPSA-N
HMDB36760,334.214409448,C20H30O4,CC1(CCCC2(C)C1CCC13CC(CC=C21)C(O)(CO)C3)C(O)=O,"InChI=1S/C20H30O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h5,13-14,21,24H,3-4,6-12H2,1-2H3,(H,22,23)",QSJIZGQGHYROGD,UHFFFAOYSA,N,"(ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid",QSJIZGQGHYROGD-UHFFFAOYSA-N
HMDB36761,332.198759384,C20H28O4,CC12CCCC3(CO)C1C(OC3=O)C(O)C13CC(CCC21)C(=C)C3,"InChI=1S/C20H28O4/c1-11-8-20-9-12(11)4-5-13(20)18(2)6-3-7-19(10-21)15(18)14(16(20)22)24-17(19)23/h12-16,21-22H,1,3-10H2,2H3",RDUNXXWNAKBVER,UHFFFAOYSA,N,"7,18-Dihydroxykaurenolide",RDUNXXWNAKBVER-UHFFFAOYSA-N
HMDB36762,316.203844762,C20H28O3,CC12CCCC(C)(C1CCC13CC(CCC21)C(=C)C3=O)C(O)=O,"InChI=1S/C20H28O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-15H,1,4-11H2,2-3H3,(H,22,23)",WQBNGXOJBVBQKP,UHFFFAOYSA,N,ent-15-Oxo-16-kauren-19-oic acid,WQBNGXOJBVBQKP-UHFFFAOYSA-N
HMDB36763,334.214409448,C20H30O4,CC12CCCC(C)(C1C(O)C(O)C13CC(CCC21)C(=C)C3)C(O)=O,"InChI=1S/C20H30O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(21)16(20)22/h12-16,21-22H,1,4-10H2,2-3H3,(H,23,24)",MXCZWKLLVGCJTB,UHFFFAOYSA,N,"(ent-6alpha,7alpha)-6,7-Dihydroxy-16-kauren-19-oic acid",MXCZWKLLVGCJTB-UHFFFAOYSA-N
HMDB36764,355.141972787,C20H21NO5,COC(=O)N1CCC2=C3C1CC1=CC=C(O)C=C1C3=C(OC)C(OC)=C2,"InChI=1S/C20H21NO5/c1-24-16-9-12-6-7-21(20(23)26-3)15-8-11-4-5-13(22)10-14(11)18(17(12)15)19(16)25-2/h4-5,9-10,15,22H,6-8H2,1-3H3",ILKYEDYPZACASH,UHFFFAOYSA,N,Romucosine C,ILKYEDYPZACASH-UHFFFAOYSA-N
HMDB36765,369.157622851,C21H23NO5,COC(=O)N1CCC2=CC(OC)=C(OC)C3=C2C1CC1=C3C=C(OC)C=C1,"InChI=1S/C21H23NO5/c1-24-14-6-5-12-9-16-18-13(7-8-22(16)21(23)27-4)10-17(25-2)20(26-3)19(18)15(12)11-14/h5-6,10-11,16H,7-9H2,1-4H3",GIUSYZFFMYWEAY,UHFFFAOYSA,N,Romucosine D,GIUSYZFFMYWEAY-UHFFFAOYSA-N
HMDB36766,232.146329884,C15H20O2,C[C@H]1CCC=C(C)CC2=C(CC1=O)C(C)=CO2,"InChI=1S/C15H20O2/c1-10-5-4-6-11(2)14(16)8-13-12(3)9-17-15(13)7-10/h5,9,11H,4,6-8H2,1-3H3/b10-5-/t11-/m0/s1",ZLESWHXADLWJPV,VQNWOSHQSA,N,Furanogermenone,ZLESWHXADLWJPV-VQNWOSHQSA-N
HMDB36767,246.125594442,C15H18O3,CC1=COC2=C1C(=O)C1OC1(C)CC\C=C(C)\C2,"InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5+",CVIVANCKIBYAOP,WEVVVXLNSA,N,Zederone,CVIVANCKIBYAOP-WEVVVXLNSA-N
HMDB36768,230.13067982,C15H18O2,CC1=COC2=C1C(=O)\C=C(C)/CC\C=C(C)\C2,"InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3/b10-7-,11-6+",XVOHELPNOXGRBQ,IKVLVDHLSA,N,Furanodienone,XVOHELPNOXGRBQ-IKVLVDHLSA-N
HMDB36769,216.151415262,C15H20O,CC1=COC2=C1C\C=C(C)\CC\C=C(C)\C2,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",VMDXHYHOJPKFEK,IAVOFVOCSA,N,Furanodiene,VMDXHYHOJPKFEK-IAVOFVOCSA-N
HMDB36770,248.141244506,C15H20O3,C\C1=C\CC\C(C)=C/C(O)C2C(C1)OC(=O)C2=C,"InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h6-7,12-14,16H,3-5,8H2,1-2H3/b9-7-,10-6-",FRDLPOYYWWRSPZ,ZVEIMFCASA,N,Desacetyllaurenobiolide,FRDLPOYYWWRSPZ-ZVEIMFCASA-N
HMDB36771,290.151809192,C17H22O4,CC(=O)OC1\C=C(C)/CC\C=C(C)/CC2OC(=O)C(=C)C12,"InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8-,11-7-",ORJVLIMAQARNOU,ACBQZUGDSA,N,Laurenobiolide,ORJVLIMAQARNOU-ACBQZUGDSA-N
HMDB36772,248.141244506,C15H20O3,CC1=COC2=C1CC1OC1(C)CCC1OC1(C)C2,"InChI=1S/C15H20O3/c1-9-8-16-11-7-15(3)12(17-15)4-5-14(2)13(18-14)6-10(9)11/h8,12-13H,4-7H2,1-3H3",FNQFNSGVMLMZNV,UHFFFAOYSA,N,Glechomafuran,FNQFNSGVMLMZNV-UHFFFAOYSA-N
HMDB36773,264.136159128,C15H20O4,C\C1=C/C(O)C2C(OC(=O)C2=C)\C=C(C)\C(O)CC1,"InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6-7,11-14,16-17H,3-5H2,1-2H3/b8-6+,9-7+",YMNZWKHEJQGPIA,CDJQDVQCSA,N,Tavulin,YMNZWKHEJQGPIA-CDJQDVQCSA-N
HMDB36774,440.36543078,C30H48O2,CC(=C)C1CCC2(C)C1CCC1(C)C2CCC2C(C)(CCC(O)=O)C(CCC12C)C(C)=C,"InChI=1S/C30H48O2/c1-19(2)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)",STWHPCOPDBFRNW,UHFFFAOYSA,N,Sebiferic acid,STWHPCOPDBFRNW-UHFFFAOYSA-N
HMDB36775,302.224580204,C20H30O2,CC1(O)CC23CCC4C(C)(C)C(=O)CCC4(C)C2CC1C=C3,"InChI=1S/C20H30O2/c1-17(2)14-6-10-20-9-5-13(19(4,22)12-20)11-15(20)18(14,3)8-7-16(17)21/h5,9,13-15,22H,6-8,10-12H2,1-4H3",AFZCVSRIUXFFJO,UHFFFAOYSA,N,Yucalexin A16,AFZCVSRIUXFFJO-UHFFFAOYSA-N
HMDB36776,318.219494826,C20H30O3,CC1(C)C(O)C(=O)CC2(C)C1CCC13CC(C)(O)C(CC21)C=C3,"InChI=1S/C20H30O3/c1-17(2)14-6-8-20-7-5-12(19(4,23)11-20)9-15(20)18(14,3)10-13(21)16(17)22/h5,7,12,14-16,22-23H,6,8-11H2,1-4H3",JHXMMAKVDKZILM,UHFFFAOYSA,N,Yucalexin A19,JHXMMAKVDKZILM-UHFFFAOYSA-N
HMDB36777,344.125988372,C19H20O6,CC12CC(OC11CC(OC1=O)C1C3CC(CC21)OC3=O)C1=COC=C1,"InChI=1S/C19H20O6/c1-18-6-13(9-2-3-22-8-9)25-19(18)7-14(24-17(19)21)15-11-4-10(5-12(15)18)23-16(11)20/h2-3,8,10-15H,4-7H2,1H3",QEANLIISUSNNDX,UHFFFAOYSA,N,Diosbulbin B,QEANLIISUSNNDX-UHFFFAOYSA-N
HMDB36778,362.136553058,C19H22O7,CC12CC(OC11CC(OC1=O)C1C(CC(O)CC21)C(O)=O)C1=COC=C1,"InChI=1S/C19H22O7/c1-18-6-13(9-2-3-24-8-9)26-19(18)7-14(25-17(19)23)15-11(16(21)22)4-10(20)5-12(15)18/h2-3,8,10-15,20H,4-7H2,1H3,(H,21,22)",UYALWPKCIMKALF,UHFFFAOYSA,N,Diosbulbin C,UYALWPKCIMKALF-UHFFFAOYSA-N
HMDB36779,346.141638436,C19H22O6,CC12CC(OC(=O)C1CC(O)C1C3CC(CC21)OC3=O)C1=COC=C1,"InChI=1S/C19H22O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14(20)16-11-4-10(5-12(16)19)24-17(11)21/h2-3,8,10-16,20H,4-7H2,1H3",OEIFXOHVCYVTGK,UHFFFAOYSA,N,Diosbulbin E,OEIFXOHVCYVTGK-UHFFFAOYSA-N
HMDB36780,376.152203122,C20H24O7,COC(=O)C1CC(O)CC2C1C(=O)CC1C(=O)OC(CC21C)C1=COC=C1,"InChI=1S/C20H24O7/c1-20-8-16(10-3-4-26-9-10)27-19(24)14(20)7-15(22)17-12(18(23)25-2)5-11(21)6-13(17)20/h3-4,9,11-14,16-17,21H,5-8H2,1-2H3",LPHWMSVPEOJPHG,UHFFFAOYSA,N,Diosbulbin F,LPHWMSVPEOJPHG-UHFFFAOYSA-N
HMDB36781,418.199153314,C23H30O7,CCCCOC(=O)C1CC(O)CC2C1C(=O)CC1C(=O)OC(CC21C)C1=COC=C1,"InChI=1S/C23H30O7/c1-3-4-6-29-21(26)15-8-14(24)9-16-20(15)18(25)10-17-22(27)30-19(11-23(16,17)2)13-5-7-28-12-13/h5,7,12,14-17,19-20,24H,3-4,6,8-11H2,1-2H3",KMLQBHMEPVHNNG,UHFFFAOYSA,N,Diosbulbin H,KMLQBHMEPVHNNG-UHFFFAOYSA-N
HMDB36782,346.141638436,C19H22O6,CC12CC(OC(=O)C1CC1OC(=O)C3CC(O)CC2C13)C1=COC=C1,"InChI=1S/C19H22O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14-16-11(17(21)24-14)4-10(20)5-12(16)19/h2-3,8,10-16,20H,4-7H2,1H3",GFUMUSWDMNZQDZ,UHFFFAOYSA,N,Diosbulbin G,GFUMUSWDMNZQDZ-UHFFFAOYSA-N
HMDB36783,538.205026552,C26H34O12,COC(=O)C1CC(O)CC2C1=C(CC1C(=O)OC(CC21C)C1=COC=C1)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C26H34O12/c1-26-8-17(11-3-4-35-10-11)36-24(33)15(26)7-16(19-13(23(32)34-2)5-12(28)6-14(19)26)37-25-22(31)21(30)20(29)18(9-27)38-25/h3-4,10,12-15,17-18,20-22,25,27-31H,5-9H2,1-2H3",SVXOFPLAAYAGIG,UHFFFAOYSA,N,Diosbulbinoside F,SVXOFPLAAYAGIG-UHFFFAOYSA-N
HMDB36784,184.146329884,C11H20O2,CCCCCCC1CCCC(=O)O1,"InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3",YZRXRLLRSPQHDK,UHFFFAOYSA,N,6-Hexyltetrahydro-2H-pyran-2-one,YZRXRLLRSPQHDK-UHFFFAOYSA-N
HMDB36785,749.166117862,C37H37N2O9S3,CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=CC=C1S(O)(=O)=O,"InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)/p+1",CTRXDTYTAAKVSM,UHFFFAOYSA,O,Erioglaucine A,CTRXDTYTAAKVSM-UHFFFAOYSA-O
HMDB36786,470.33960996,C30H46O4,CC(=C)C1CCC(=C)C(CCC2C(C)=CCC(C(C)=C)C2(C)CCC(O)=O)C1(C)CCC(O)=O,"InChI=1S/C30H46O4/c1-19(2)23-11-9-21(5)25(29(23,7)17-15-27(31)32)13-14-26-22(6)10-12-24(20(3)4)30(26,8)18-16-28(33)34/h10,23-26H,1,3,5,9,11-18H2,2,4,6-8H3,(H,31,32)(H,33,34)",SYTWWAZKYVYTTQ,UHFFFAOYSA,N,Lansic acid,SYTWWAZKYVYTTQ-UHFFFAOYSA-N
HMDB36787,438.349780716,C30H46O2,CC1=CCC2C(C)(C)C(=O)CCC2(C)C1CCC1C(=C)CCC2C(C)(C)C(=O)CCC12C,"InChI=1S/C30H46O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h10,21-24H,1,9,11-18H2,2-8H3",AVJMTAKTBATOTJ,UHFFFAOYSA,N,"alpha,gamma-Onoceradienedione",AVJMTAKTBATOTJ-UHFFFAOYSA-N
HMDB36788,220.18271539,C15H24O,CC1(C)CC2C1CC\C(CO)=C/CCC2=C,"InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+",MGIQTXDHQJGPEZ,WUXMJOGZSA,N,beta-Betulenol,MGIQTXDHQJGPEZ-WUXMJOGZSA-N
HMDB36789,220.18271539,C15H24O,CC12CCC3C(CC3(C)C)C(=C)CCC1O2,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3",NVEQFIOZRFFVFW,UHFFFAOYSA,N,Caryophyllene alpha-oxide,NVEQFIOZRFFVFW-UHFFFAOYSA-N
HMDB36790,222.161979948,C14H22O2,CC12CCC3C(CC3(C)C)C(=O)CCC1O2,"InChI=1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3",UETZJEZFLKASPR,UHFFFAOYSA,N,Kobusone,UETZJEZFLKASPR-UHFFFAOYSA-N
HMDB36791,222.161979948,C14H22O2,CC1(C)CC2C1CCC(=C)C(O)CCC2=O,"InChI=1S/C14H22O2/c1-9-4-5-11-10(8-14(11,2)3)13(16)7-6-12(9)15/h10-12,15H,1,4-8H2,2-3H3",BSFUDCIRZBAPDS,UHFFFAOYSA,N,Isokobusone,BSFUDCIRZBAPDS-UHFFFAOYSA-N
HMDB36792,204.187800768,C15H24,C\C1=C\CCC(=C)C2CC(C)(C)C2CC1,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-",NPNUFJAVOOONJE,WDZFZDKYSA,N,beta-Caryophyllene,NPNUFJAVOOONJE-WDZFZDKYSA-N
HMDB36793,220.18271539,C15H24O,C\C1=C\CCC2(CO2)C2CC(C)(C)C2CC1,"InChI=1S/C15H24O/c1-11-5-4-8-15(10-16-15)13-9-14(2,3)12(13)7-6-11/h5,12-13H,4,6-10H2,1-3H3/b11-5-",AURKDPLYMRHYAY,WZUFQYTHSA,N,"3,15-Epoxy-6-caryophyllene",AURKDPLYMRHYAY-WZUFQYTHSA-N
HMDB36794,465.030055851,C18H15N3O8S2,CC(=O)NC1=CC(=CC2=C1C(O)=C(\N=N\C1=CC=CC=C1)C(=C2)S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C18H15N3O8S2/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)/b21-20+",RSNSKUBBVCGSND,QZQOTICOSA,N,Azorhodine 2G,RSNSKUBBVCGSND-QZQOTICOSA-N
HMDB36795,458.024242192,C20H14N2O7S2,OC1=C(C=C(C2=CC=CC=C12)S(O)(=O)=O)\N=N/C1=CC=C(C2=CC=CC=C12)S(O)(=O)=O,"InChI=1S/C20H14N2O7S2/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16/h1-11,23H,(H,24,25,26)(H,27,28,29)/b22-21-",TVWOWDDBXAFQDG,DQRAZIAOSA,N,Azorubine,TVWOWDDBXAFQDG-DQRAZIAOSA-N
HMDB36796,202.172150704,C15H22,CC(C)C1CCC2(C)C3C=CC(=C)C2C13,"InChI=1S/C15H22/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5-6,9,11-14H,3,7-8H2,1-2,4H3",ADVJSMBYHNLAGK,UHFFFAOYSA,N,"(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene",ADVJSMBYHNLAGK-UHFFFAOYSA-N
HMDB36797,218.167065326,C15H22O,CC(C)C1CCC2(C)C3C1C2C(=O)C=C3C,"InChI=1S/C15H22O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10,12-14H,5-6H2,1-4H3",CTFSUCDHRVDRKG,UHFFFAOYSA,N,Mustakone,CTFSUCDHRVDRKG-UHFFFAOYSA-N
HMDB36798,220.18271539,C15H24O,CC(C)C1C2C3CC=C(C)C2C3(C)CC1O,"InChI=1S/C15H24O/c1-8(2)12-11(16)7-15(4)10-6-5-9(3)14(15)13(10)12/h5,8,10-14,16H,6-7H2,1-4H3",BVCNHEVITXGCEP,UHFFFAOYSA,N,8alpha-3-Copaen-8-ol,BVCNHEVITXGCEP-UHFFFAOYSA-N
HMDB36799,204.187800768,C15H24,CC1CCC2(C)C3(C)C4CC2(C)C1CC34,"InChI=1S/C15H24/c1-9-5-6-14(3)13(2)8-12-11(7-10(9)13)15(12,14)4/h9-12H,5-8H2,1-4H3",XPWRIXBORAHMCD,UHFFFAOYSA,N,Cycloseychellene,XPWRIXBORAHMCD-UHFFFAOYSA-N
HMDB36800,440.36543078,C30H48O2,[H][C@@]12CC[C@]3(C)[C@]([H])(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@]1(C)CC[C@H]2C(=C)C=O,"InChI=1S/C30H48O2/c1-19(18-31)20-10-14-27(4)21(20)11-16-29(6)23(27)8-9-24-28(5)15-13-25(32)26(2,3)22(28)12-17-30(24,29)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21-,22?,23+,24?,25-,27-,28-,29+,30+/m0/s1",IXBAWFNSWVWXAS,DJDCKNGGSA,N,3beta-Hydroxy-22(30)-hopen-29-al,IXBAWFNSWVWXAS-DJDCKNGGSA-N
HMDB36801,348.266445018,C22H36O3,CC(=O)OCC1(C)CCCC2(C)C3CCC4CC3(CC4(C)O)CCC12,"InChI=1S/C22H36O3/c1-15(23)25-14-19(2)9-5-10-20(3)17(19)8-11-22-12-16(6-7-18(20)22)21(4,24)13-22/h16-18,24H,5-14H2,1-4H3",AELNFENJKQXLPW,UHFFFAOYSA,N,"ent-16b,19-Kauranediol 19-acetate",AELNFENJKQXLPW-UHFFFAOYSA-N
HMDB36802,322.250794954,C20H34O3,C\C(C=C)=C\CC1C(C)(O)C(O)C(O)C2C(C)(C)CCCC12C,"InChI=1S/C20H34O3/c1-7-13(2)9-10-14-19(5)12-8-11-18(3,4)16(19)15(21)17(22)20(14,6)23/h7,9,14-17,21-23H,1,8,10-12H2,2-6H3/b13-9-",JEZOMVOAWYLQAJ,LCYFTJDESA,N,Austroinulin,JEZOMVOAWYLQAJ-LCYFTJDESA-N
HMDB36803,364.26135964,C22H36O4,CC(=O)OC1C(O)C(C)(O)C(C\C=C(\C)C=C)C2(C)CCCC(C)(C)C12,"InChI=1S/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(26-15(3)23)19(24)22(16,7)25/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3/b14-10-",COFSRJDBTTZNBZ,UVTDQMKNSA,N,6-O-Acetylaustroinulin,COFSRJDBTTZNBZ-UVTDQMKNSA-N
HMDB36804,364.26135964,C22H36O4,CC(=O)OC1C(O)C2C(C)(C)CCCC2(C)C(C\C=C(\C)C=C)C1(C)O,"InChI=1S/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(24)19(22(16,7)25)26-15(3)23/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3/b14-10-",IEAUFJOLHRNYMW,UVTDQMKNSA,N,7-O-Acetylaustroinulin,IEAUFJOLHRNYMW-UVTDQMKNSA-N
HMDB36805,302.224580204,C20H30O2,CC1(C)CCCC2(C)C(C\C=C(/CC=O)C=O)C(=C)CCC12,"InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+",TZCSIFOYBLPUIF,FRKPEAEDSA,N,"8(17),12-Labdadiene-15,16-dial",TZCSIFOYBLPUIF-FRKPEAEDSA-N
HMDB36806,318.219494826,C20H30O3,CC1(C)CCCC2(C)C(C\C=C(/CC=O)C=O)C3(CO3)CCC12,"InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)16(18)7-11-20(14-23-20)17(19)6-5-15(13-22)8-12-21/h5,12-13,16-17H,4,6-11,14H2,1-3H3/b15-5+",ZAWCPGMKVKTLKI,PJQLUOCWSA,N,Aframodial,ZAWCPGMKVKTLKI-PJQLUOCWSA-N
HMDB36807,160.001656258,C6H8OS2,CSSCC1=CC=CO1,"InChI=1S/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3",CLSLQQCDHOZMDT,UHFFFAOYSA,N,(2-Furanylmethyl) methyl disulfide,CLSLQQCDHOZMDT-UHFFFAOYSA-N
HMDB36808,136.100048394,C8H12N2,CCC1=CN=C(CC)C=N1,"InChI=1S/C8H12N2/c1-3-7-5-10-8(4-2)6-9-7/h5-6H,3-4H2,1-2H3",WAVOLMBVDCRBGR,UHFFFAOYSA,N,"2,5-Diethylpyrazine",WAVOLMBVDCRBGR-UHFFFAOYSA-N
HMDB36809,136.100048394,C8H12N2,CCC1=CN=CC(CC)=N1,"InChI=1S/C8H12N2/c1-3-7-5-9-6-8(4-2)10-7/h5-6H,3-4H2,1-2H3",QDWOWLUANUBTGE,UHFFFAOYSA,N,"2,6-Diethylpyrazine",QDWOWLUANUBTGE-UHFFFAOYSA-N
HMDB36810,320.23514489,C20H32O3,CC1(CCC2C(C)(CCC3C2(C)CCCC3(C)C(O)=O)O1)C=C,"InChI=1S/C20H32O3/c1-6-17(2)12-8-15-18(3)10-7-11-19(4,16(21)22)14(18)9-13-20(15,5)23-17/h6,14-15H,1,7-13H2,2-5H3,(H,21,22)",POQLUTMXUBSNEN,UHFFFAOYSA,N,"8alpha,13R-Epoxy-14-labden-19-oic acid",POQLUTMXUBSNEN-UHFFFAOYSA-N
HMDB36811,302.224580204,C20H30O2,CC1(CCC2C(C1)=CCC1C2(C)CCCC1(C)C(O)=O)C=C,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)",MXYATHGRPJZBNA,UHFFFAOYSA,N,Isopimaric acid,MXYATHGRPJZBNA-UHFFFAOYSA-N
HMDB36812,316.203844762,C20H28O3,CC1(CCC2=C(C1)C(=O)CC1C(C)(CCCC21C)C(O)=O)C=C,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,16H,1,6-12H2,2-4H3,(H,22,23)",MKABKMLRRKPPCP,UHFFFAOYSA,N,"7-Oxo-8,15-isopimaradien-18-oic acid",MKABKMLRRKPPCP-UHFFFAOYSA-N
HMDB36813,218.167065326,C15H22O,C\C(C=O)=C\CCC1(C)C2CC3C(C2)C13C,"InChI=1S/C15H22O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,9,11-13H,4,6-8H2,1-3H3/b10-5-",SHEUEEZGXLCROM,YHYXMXQVSA,N,alpha-Santalal,SHEUEEZGXLCROM-YHYXMXQVSA-N
HMDB36814,164.120115134,C11H16O,CC(=O)C1(C)C2CC3C(C2)C13C,"InChI=1S/C11H16O/c1-6(12)10(2)7-4-8-9(5-7)11(8,10)3/h7-9H,4-5H2,1-3H3",OTAKYGLQNSNZRX,UHFFFAOYSA,N,Santalone,OTAKYGLQNSNZRX-UHFFFAOYSA-N
HMDB36815,166.135765198,C11H18O,CC12C3CC(CC13)C2(C)CCO,"InChI=1S/C11H18O/c1-10(3-4-12)7-5-8-9(6-7)11(8,10)2/h7-9,12H,3-6H2,1-2H3",KIIXOVVGHFZKMM,UHFFFAOYSA,N,Norecasantalol,KIIXOVVGHFZKMM-UHFFFAOYSA-N
HMDB36816,164.120115134,C11H16O,CC12C3CC(CC13)C2(C)CC=O,"InChI=1S/C11H16O/c1-10(3-4-12)7-5-8-9(6-7)11(8,10)2/h4,7-9H,3,5-6H2,1-2H3",WTFMBIIXZCPCMT,UHFFFAOYSA,N,Norecasantalal,WTFMBIIXZCPCMT-UHFFFAOYSA-N
HMDB36817,180.115029756,C11H16O2,CC12C3CC(CC13)C2(C)CC(O)=O,"InChI=1S/C11H16O2/c1-10(5-9(12)13)6-3-7-8(4-6)11(7,10)2/h6-8H,3-5H2,1-2H3,(H,12,13)",LDSSHHGVKDZTIX,UHFFFAOYSA,N,Norecasantalic acid,LDSSHHGVKDZTIX-UHFFFAOYSA-N
HMDB36818,192.151415264,C13H20O,CC1CCC2(O1)C(=C)C=CCC2(C)C,"InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3",DUPDJVDPPBFBPL,UHFFFAOYSA,N,Vitispirane,DUPDJVDPPBFBPL-UHFFFAOYSA-N
HMDB36819,222.125594442,C13H18O3,CC(=O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+",JJRYPZMXNLLZFH,AATRIKPKSA,N,Dehydrovomifoliol,JJRYPZMXNLLZFH-AATRIKPKSA-N
HMDB36820,194.167065326,C13H22O,CC(O)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+",CNOPDZWOYFOHGN,BQYQJAHWSA,N,beta-Ionol,CNOPDZWOYFOHGN-BQYQJAHWSA-N
HMDB36821,208.146329884,C13H20O2,CC(=O)\C=C\C1=C(C)CC(O)CC1(C)C,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",HFRZSVYKDDZRQY,AATRIKPKSA,N,3-Hydroxy-beta-ionone,HFRZSVYKDDZRQY-AATRIKPKSA-N
HMDB36822,370.199153314,C19H30O7,CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+",SZOPSAFLRCYJCX,AATRIKPKSA,N,"(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside",SZOPSAFLRCYJCX-AATRIKPKSA-N
HMDB36823,194.167065326,C13H22O,CC1CCC2(O1)C(C)=CCCC2(C)C,"InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3",GYUZHTWCNKINPY,UHFFFAOYSA,N,Theaspirane,GYUZHTWCNKINPY-UHFFFAOYSA-N
HMDB36824,208.146329884,C13H20O2,CCCOC(C)OCCC1=CC=CC=C1,"InChI=1S/C13H20O2/c1-3-10-14-12(2)15-11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3",FMYCPRQGKSONCP,UHFFFAOYSA,N,Acetal R,FMYCPRQGKSONCP-UHFFFAOYSA-N
HMDB36825,517.134601264,C25H25O12,COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C2=C3C(O1)=CC(O)=CC3=[O+]C=C2,"InChI=1S/C25H24O12/c1-32-15-5-10(6-16(33-2)19(15)28)23-24(37-25-22(31)21(30)20(29)17(9-26)36-25)12-3-4-34-13-7-11(27)8-14(35-23)18(12)13/h3-8,17,20-22,25-26,29-31H,9H2,1-2H3,(H-,27,28)/p+1",ZFFLAEFKTXRRFR,UHFFFAOYSA,O,Vitisin B,ZFFLAEFKTXRRFR-UHFFFAOYSA-O
HMDB36826,302.224580204,C20H30O2,CC1CCC2(C)C(C)CC(=O)CC2C1(C)CCC1=COC=C1,"InChI=1S/C20H30O2/c1-14-5-8-20(4)15(2)11-17(21)12-18(20)19(14,3)9-6-16-7-10-22-13-16/h7,10,13-15,18H,5-6,8-9,11-12H2,1-4H3",SXSAPQYSINCHJK,UHFFFAOYSA,N,Cascarillone,SXSAPQYSINCHJK-UHFFFAOYSA-N
HMDB36827,308.271530396,C20H36O2,CC(O)(CCC1C(C)(O)CCC2C(C)(C)CCCC12C)C=C,"InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3",XVULBTBTFGYVRC,UHFFFAOYSA,N,Sclareol,XVULBTBTFGYVRC-UHFFFAOYSA-N
HMDB36828,334.214409448,C20H30O4,C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C\C(O)=O,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12-",QYCOHMYDSOZCQD,SEYXRHQNSA,N,Dehydropinifolic acid,QYCOHMYDSOZCQD-SEYXRHQNSA-N
HMDB36829,304.240230268,C20H32O2,C\C(CCC1C(=C)CCC2C(C)(C)CCCC12C)=C\C(O)=O,"InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13-",JFQBNOIJWROZGE,YPKPFQOOSA,N,Copalic acid,JFQBNOIJWROZGE-YPKPFQOOSA-N
HMDB36830,304.240230268,C20H32O2,CC(CCC1C(=C)CCC2C(C)(CCCC12C)C=O)CC=O,"InChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h13-15,17-18H,2,5-12H2,1,3-4H3",IGGYEFVJKTZVIB,UHFFFAOYSA,N,Junicedral,IGGYEFVJKTZVIB-UHFFFAOYSA-N
HMDB36831,236.214015518,C16H28O,CC12CCC3C(C)(C)CCCC3(C)C1CCO2,"InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3",YPZUZOLGGMJZJO,UHFFFAOYSA,N,Ambronide,YPZUZOLGGMJZJO-UHFFFAOYSA-N
HMDB36832,294.219494826,C18H30O3,CC(=O)\C=C\C1C(C)(O)C(O)CC2C(C)(C)CCCC12C,"InChI=1S/C18H30O3/c1-12(19)7-8-13-17(4)10-6-9-16(2,3)14(17)11-15(20)18(13,5)21/h7-8,13-15,20-21H,6,9-11H2,1-5H3/b8-7+",BQUAFPABUCARCY,BQYQJAHWSA,N,Sterebin D,BQUAFPABUCARCY-BQYQJAHWSA-N
HMDB36833,410.20932407,C25H30O5,CC(C)C1=C2C(=O)C3(C)CC=C(CCC=C(C)C)CC3C(=O)C2=C(C=O)C(O)=C1O,"InChI=1S/C25H30O5/c1-13(2)7-6-8-15-9-10-25(5)17(11-15)22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(25)30/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3",BSQZWSGAKJSBOZ,UHFFFAOYSA,N,Heliocide H2,BSQZWSGAKJSBOZ-UHFFFAOYSA-N
HMDB36834,290.26096571,C20H34O,CC1CCC2(C)C(CCC=C2C)C1(C)CCC(C)(O)C=C,"InChI=1S/C20H34O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,9,16-17,21H,1,8,10-14H2,2-6H3",YBDUXZKWDIUNSG,UHFFFAOYSA,N,18-Deoxysagittarol,YBDUXZKWDIUNSG-UHFFFAOYSA-N
HMDB36835,306.255880332,C20H34O2,CC1CCC2(C)C(CCC=C2CO)C1(C)CCC(C)(O)C=C,"InChI=1S/C20H34O2/c1-6-18(3,22)12-13-19(4)15(2)10-11-20(5)16(14-21)8-7-9-17(19)20/h6,8,15,17,21-22H,1,7,9-14H2,2-5H3",VAQFTHFEFSWPGQ,UHFFFAOYSA,N,Sagittariol,VAQFTHFEFSWPGQ-UHFFFAOYSA-N
HMDB36836,408.214803378,C22H32O7,CC1C(CC2(C)C(CCC(O)C2(C)O)C1(CC(O)C1=COC=C1)C=O)OC(C)=O,"InChI=1S/C22H32O7/c1-13-17(29-14(2)24)10-20(3)18(5-6-19(26)21(20,4)27)22(13,12-23)9-16(25)15-7-8-28-11-15/h7-8,11-13,16-19,25-27H,5-6,9-10H2,1-4H3",ZOWKQQIGQBVKSV,UHFFFAOYSA,N,Cascarillin,ZOWKQQIGQBVKSV-UHFFFAOYSA-N
HMDB36837,358.141638436,C20H22O6,CC12CC(OC(=O)C1CCC1(C)C2C2OC(=O)C1(O)C=C2)C1=COC=C1,"InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3",AALLCALQGXXWNA,UHFFFAOYSA,N,Isocolumbin,AALLCALQGXXWNA-UHFFFAOYSA-N
HMDB36838,442.381080844,C30H50O2,CC(=C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3",FVWJYYTZTCVBKE,UHFFFAOYSA,N,Betulin,FVWJYYTZTCVBKE-UHFFFAOYSA-N
HMDB36839,318.219494826,C20H30O3,CC12C3CC4(CCC5C(C)(CCCC5(C)C(O)=O)C4CC13)C2O,"InChI=1S/C20H30O3/c1-17-6-4-7-18(2,16(22)23)13(17)5-8-20-10-12-11(9-14(17)20)19(12,3)15(20)21/h11-15,21H,4-10H2,1-3H3,(H,22,23)",MHVNHDYWKUKRRJ,UHFFFAOYSA,N,(ent-15beta)-15-Hydroxy-19-trachylobanoic acid,MHVNHDYWKUKRRJ-UHFFFAOYSA-N
HMDB36840,438.349780716,C30H46O2,CC(C)C12CC1C(C)(CC2)OC(=O)C1(C)CCCC2(C)C3CC4C5CC3(CC45C)CCC12,"InChI=1S/C30H46O2/c1-18(2)30-13-12-28(6,23(30)16-30)32-24(31)26(4)10-7-9-25(3)21(26)8-11-29-15-20-19(14-22(25)29)27(20,5)17-29/h18-23H,7-17H2,1-6H3",PLICBZQBAQRVRT,UHFFFAOYSA,N,Thujyl 19-trachylobanoate,PLICBZQBAQRVRT-UHFFFAOYSA-N
HMDB36841,286.229665582,C20H30O,CC12CC34CC1C2CC3C1(C)CCCC(C)(C=O)C1CC4,"InChI=1S/C20H30O/c1-17(12-21)6-4-7-18(2)15(17)5-8-20-10-14-13(9-16(18)20)19(14,3)11-20/h12-16H,4-11H2,1-3H3",KHSBNJXREDZLMJ,UHFFFAOYSA,N,ent-19-Trachylobanal,KHSBNJXREDZLMJ-UHFFFAOYSA-N
HMDB36842,588.345089268,C37H48O6,C\C(=C/C=C\C=C\C=C(\C)C#CC1=C(C)CC(O)CC1(C)C)\C=C1\OC(=O)C(\C=C\C2(O)C(C)(C)CC(O)CC2(C)O)=C1,"InChI=1S/C37H48O6/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)43-31)17-18-37(42)35(6,7)23-30(39)24-36(37,8)41/h9-14,17-19,21,29-30,38-39,41-42H,20,22-24H2,1-8H3/b11-9+,12-10-,18-17+,25-13-,26-14+,31-19+",NKLWCOIOKXMOKC,FSEXIHCTSA,N,Hydratopyrrhoxanthinol,NKLWCOIOKXMOKC-FSEXIHCTSA-N
HMDB36843,382.381080844,C25H50O2,CCC(C)C\C=C\C(C)C(O)CCC(C)CCCC(C)CCCC(C)(C)O,"InChI=1S/C25H50O2/c1-8-20(2)12-10-16-23(5)24(26)18-17-22(4)14-9-13-21(3)15-11-19-25(6,7)27/h10,16,20-24,26-27H,8-9,11-15,17-19H2,1-7H3/b16-10+",LVOIAUYYMRCVLX,MHWRWJLKSA,N,Lepidiumsesterterpenol,LVOIAUYYMRCVLX-MHWRWJLKSA-N
HMDB36844,404.36543078,C27H48O2,CCCC(C)CCCC(C)C(=O)CC(O)C(C)C\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C27H48O2/c1-8-12-20(2)13-9-14-22(4)25(28)19-26(29)23(5)15-10-17-24-21(3)16-11-18-27(24,6)7/h10,17,20,22-23,26,29H,8-9,11-16,18-19H2,1-7H3/b17-10+",JSSNFOHEHRIBDT,LICLKQGHSA,N,Lepidiumterpenoid,JSSNFOHEHRIBDT-LICLKQGHSA-N
HMDB36845,272.250401024,C20H32,CC(C)C1CC\C(C)=C/CC\C(C)=C/C\C=C(/C)\C=C/1,"InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10+,19-11-",DMHADBQKVWXPPM,ZRMRITCRSA,N,Cembrene,DMHADBQKVWXPPM-ZRMRITCRSA-N
HMDB36846,388.209718,C19H32O8,CC(=O)CCC1=C(C)C(O)C(CC1(C)C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H32O8/c1-9(21)5-6-11-10(2)14(22)12(7-19(11,3)4)26-18-17(25)16(24)15(23)13(8-20)27-18/h12-18,20,22-25H,5-8H2,1-4H3",LYZQCLMNFAUXJA,UHFFFAOYSA,N,Icariside B8,LYZQCLMNFAUXJA-UHFFFAOYSA-N
HMDB36847,470.33960996,C30H46O4,CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC34C)C12)C(O)=O,"InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)",SLWJVQQNDGLXTK,UHFFFAOYSA,N,Colubrinic acid,SLWJVQQNDGLXTK-UHFFFAOYSA-N
HMDB36848,412.297745146,C27H40O3,C\C(CCCO)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C\C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C27H40O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-9,11-14,16-17,24,28-29H,10,15,18-20H2,1-6H3/b8-7+,13-9+,17-16-,21-11+,22-12+,23-14+",FTNZYJHYERPLRL,XKZZBTAKSA,N,(9E)-Valenciaxanthin,FTNZYJHYERPLRL-XKZZBTAKSA-N
HMDB36849,412.297745146,C27H40O3,C\C(CCCO)=C/C=C\C=C(/C)\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1,"InChI=1S/C27H40O3/c1-20(11-7-8-12-21(2)14-10-16-28)13-9-15-22(3)24-17-25-26(4,5)18-23(29)19-27(25,6)30-24/h7-9,11-13,15,17,23-24,28-29H,10,14,16,18-19H2,1-6H3/b8-7-,13-9+,20-11+,21-12+,22-15-",SMTGOURXPBLNQN,IOCJBXAWSA,N,Valenciachrome,SMTGOURXPBLNQN-IOCJBXAWSA-N
HMDB36850,454.308309832,C29H42O4,[H][C@]12CCC3[C@@]4(C)C=CC(C)(C)C4CC[C@@]3(C)[C@@]1(CC[C@]1(CC[C@H](C21)C(C)=C)C(O)=O)C(O)=O,"InChI=1S/C29H42O4/c1-17(2)18-9-12-28(23(30)31)15-16-29(24(32)33)19(22(18)28)7-8-21-26(5)14-13-25(3,4)20(26)10-11-27(21,29)6/h13-14,18-22H,1,7-12,15-16H2,2-6H3,(H,30,31)(H,32,33)/t18-,19+,20?,21?,22?,26-,27+,28-,29+/m0/s1",CMDOQXSBVNWCEM,JEPMADDYSA,N,Ceanothenic acid,CMDOQXSBVNWCEM-JEPMADDYSA-N
HMDB36851,486.334524582,C30H46O5,CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C(O)C(C)(C)C5CCC34C)C(O)=O)C12)C(O)=O,"InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)",WLCHQSHZHFLMJH,UHFFFAOYSA,N,Ceanothic acid,WLCHQSHZHFLMJH-UHFFFAOYSA-N
HMDB36852,272.250401024,C20H32,CC(C)=CCCC(=C)C1CCC(CCC=C(C)C)=CC1,"InChI=1S/C20H32/c1-16(2)8-6-10-18(5)20-14-12-19(13-15-20)11-7-9-17(3)4/h8-9,12,20H,5-7,10-11,13-15H2,1-4H3",GJYJYFHBOBUTBY,UHFFFAOYSA,N,alpha-Camphorene,GJYJYFHBOBUTBY-UHFFFAOYSA-N
HMDB36853,272.250401024,C20H32,CC(C)=CCCC(=C)C1CCC=C(CCC=C(C)C)C1,"InChI=1S/C20H32/c1-16(2)9-6-11-18(5)20-14-8-13-19(15-20)12-7-10-17(3)4/h9-10,13,20H,5-8,11-12,14-15H2,1-4H3",OIRFZVJHADZVMD,UHFFFAOYSA,N,gamma-Camphorene,OIRFZVJHADZVMD-UHFFFAOYSA-N
HMDB36854,368.219888756,C20H32O6,CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CC(O)C(C)C42)C13C,"InChI=1S/C20H32O6/c1-9(7-21)11-5-13-16(3)8-19(24)17(11,4)20(13,25)15(26-19)14-10(2)12(22)6-18(14,16)23/h9-15,21-25H,5-8H2,1-4H3",HQUSKUTUDDZKOD,UHFFFAOYSA,N,Cinncassiol D3,HQUSKUTUDDZKOD-UHFFFAOYSA-N
HMDB36855,400.209718,C20H32O8,CC(CO)C1(O)CC2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C,"InChI=1S/C20H32O8/c1-10-5-6-16(24)13(3)8-18(26)14(4)15(23,11(2)7-21)9-17(13,25)20(14,27)19(16,28-18)12(10)22/h10-12,21-27H,5-9H2,1-4H3",LIGPZBKBGCJTGC,UHFFFAOYSA,N,Cincassiol B,LIGPZBKBGCJTGC-UHFFFAOYSA-N
HMDB36856,562.26254143,C26H42O13,CC(COC1OC(CO)C(O)C(O)C1O)C1(O)CC2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C,"InChI=1S/C26H42O13/c1-11-5-6-22(33)19(3)9-24(35)20(4)21(32,10-23(19,34)26(20,36)25(22,39-24)17(11)31)12(2)8-37-18-16(30)15(29)14(28)13(7-27)38-18/h11-18,27-36H,5-10H2,1-4H3",JDXUGCGESVBRHW,UHFFFAOYSA,N,19-Hydroxycinnzeylanol 19-glucoside,JDXUGCGESVBRHW-UHFFFAOYSA-N
HMDB36857,398.194067936,C20H30O8,CC(C)C12CC3(O)C4(C)C1C1(O)OC(O)(C5(O)C(C)CCC45O)C3(O)C1(C)O2,"InChI=1S/C20H30O8/c1-9(2)14-8-16(22)12(4)11(14)18(24)13(5,27-14)19(16,25)20(26,28-18)17(23)10(3)6-7-15(12,17)21/h9-11,21-26H,6-8H2,1-5H3",KFWCNRCQYZWAFT,UHFFFAOYSA,N,Cinncassiol E,KFWCNRCQYZWAFT-UHFFFAOYSA-N
HMDB36859,382.199153314,C20H30O7,CC(C)C1(O)CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C,"InChI=1S/C20H30O7/c1-10(2)17(24)8-12(21)15(4)9-19(26)16(17,5)14(23)20(27-19)13(22)11(3)6-7-18(15,20)25/h10-11,13,22,24-26H,6-9H2,1-5H3",IJPNDQQOKFKBRG,UHFFFAOYSA,N,Cinncassiol C3,IJPNDQQOKFKBRG-UHFFFAOYSA-N
HMDB36860,440.13186161,C20H24O11,CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O)C43C(C5O)C(C)(C)C)C12O,"InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3",AMOGMTLMADGEOQ,UHFFFAOYSA,N,Ginkgolide C,AMOGMTLMADGEOQ-UHFFFAOYSA-N
HMDB36861,424.136946988,C20H24O10,CC1C(=O)OC2C(O)C34C5CC(C(C)(C)C)C33C(O)C(=O)OC3OC4(C(=O)O5)C12O,"InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3",SQOJOAFXDQDRGF,UHFFFAOYSA,N,Ginkgolide B,SQOJOAFXDQDRGF-UHFFFAOYSA-N
HMDB36862,408.142032366,C20H24O9,CC1C(=O)OC2CC34C5CC(C(C)(C)C)C33C(O)C(=O)OC3OC4(C(=O)O5)C12O,"InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3",FPUXKXIZEIDQKW,UHFFFAOYSA,N,Ginkgolide A,FPUXKXIZEIDQKW-UHFFFAOYSA-N
HMDB36863,366.204238692,C20H30O6,CC(C)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O,"InChI=1S/C20H30O6/c1-10(2)13-8-18(24)16(5)9-14(21)26-20(19(18,25)12(13)4)15(22)11(3)6-7-17(16,20)23/h10-11,15,22-25H,6-9H2,1-5H3",JFDHTDLZWVKRQT,UHFFFAOYSA,N,Anhydrocinnzeylanol,JFDHTDLZWVKRQT-UHFFFAOYSA-N
HMDB36864,408.214803378,C22H32O7,CC(C)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(OC(C)=O)C(C)CCC12O,"InChI=1S/C22H32O7/c1-11(2)15-9-20(26)18(6)10-16(24)29-22(21(20,27)13(15)4)17(28-14(5)23)12(3)7-8-19(18,22)25/h11-12,17,25-27H,7-10H2,1-6H3",UEXGXCDLLOHGAS,UHFFFAOYSA,N,Anhydrocinnzeylanine,UEXGXCDLLOHGAS-UHFFFAOYSA-N
HMDB36865,382.308309832,C23H42O4,CC(CCCC(C)CCC(O)=O)CCCC(C)C(=O)OCCCCCC=C,"InChI=1S/C23H42O4/c1-5-6-7-8-9-18-27-23(26)21(4)15-11-14-19(2)12-10-13-20(3)16-17-22(24)25/h5,19-21H,1,6-18H2,2-4H3,(H,24,25)",PASMASQJCDKBJK,UHFFFAOYSA,N,Lepidiumterpenyl ester,PASMASQJCDKBJK-UHFFFAOYSA-N
HMDB36866,254.188194698,C15H26O3,CC1(CO)CCCC2(C)C(CO)C(CO)=CCC12,"InChI=1S/C15H26O3/c1-14(10-18)6-3-7-15(2)12(9-17)11(8-16)4-5-13(14)15/h4,12-13,16-18H,3,5-10H2,1-2H3",ZVTXMJUNGOWZRE,UHFFFAOYSA,N,"7-Drimene-11,12,14-triol",ZVTXMJUNGOWZRE-UHFFFAOYSA-N
HMDB36867,296.125988372,C15H20O6,[H][C@@]12[C@@H](O)OC(=O)[C@@]11[C@@H](O)C[C@@H](O)C(C)(C)C1CC=C2C=O,"InChI=1S/C15H20O6/c1-14(2)8-4-3-7(6-16)11-12(19)21-13(20)15(8,11)10(18)5-9(14)17/h3,6,8-12,17-19H,4-5H2,1-2H3/t8?,9-,10+,11-,12+,15+/m1/s1",OLGMJXURWXVYKR,JAIRQZCISA,N,Marasmal,OLGMJXURWXVYKR-JAIRQZCISA-N
HMDB36868,584.422945658,C40H56O3,C\C(\C=C/C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C\C=C(/C)\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1,"InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11-,17-13-,19-14+,22-21+,28-15+,29-16+,30-18-,31-20-",JRHJXXLCNATYLS,BGZKMDTMSA,N,Flavoxanthin,JRHJXXLCNATYLS-BGZKMDTMSA-N
HMDB36869,552.433116423,C40H56O,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1,"InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-22,24-25,29,36H,15-16,23,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+",GFPJSSAOISEBQL,FZKBJVJCSA,N,Mutatochrome,GFPJSSAOISEBQL-FZKBJVJCSA-N
HMDB36870,568.428031036,C40H56O2,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1,"InChI=1S/C40H56O2/c1-29(18-13-19-31(3)22-23-35-33(5)26-34(41)28-39(35,8)9)16-11-12-17-30(2)20-14-21-32(4)36-27-37-38(6,7)24-15-25-40(37,10)42-36/h11-14,16-23,27,34,36,41H,15,24-26,28H2,1-10H3/b12-11+,18-13+,20-14+,23-22+,29-16+,30-17+,31-19+,32-21+",WEJIOGMJJWSQFC,NNAJIMERSA,N,Cryptoflavin,WEJIOGMJJWSQFC-NNAJIMERSA-N
HMDB36871,598.402210216,C40H54O4,C\C(\C=C\C=C(/C)C#CC1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C(/O)=C/C(=O)C1(C)CC(O)CC1(C)C,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-",WSLGBPCJDUQFND,FAIJJFIFSA,N,Mytiloxanthin,WSLGBPCJDUQFND-FAIJJFIFSA-N
HMDB36872,594.370910088,C40H50O4,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)C#CC1=C(C)C(=O)C(O)CC1(C)C,"InChI=1S/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15-,28-16+,29-19+,30-20-",BZQRJBLJDFPOBX,FOERLQQGSA,N,"7,8-Dehydroastaxanthianthin",BZQRJBLJDFPOBX-FOERLQQGSA-N
HMDB36873,600.41786028,C40H56O4,C\C(\C=C\C=C(/C)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-20,23-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+",ZEXQVPRPMQVOFT,RQCOEWNJSA,N,Heteroxanthin,ZEXQVPRPMQVOFT-RQCOEWNJSA-N
HMDB36874,564.396730908,C40H52O2,C\C(\C=C\C=C(/C)C#CC1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+",DVICWXUADSCSLL,PJQROKOUSA,N,Alloxanthin,DVICWXUADSCSLL-PJQROKOUSA-N
HMDB36875,560.49571667,C40H64O,CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC1OC1(C)C,"InChI=1S/C40H64O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,18-20,24-26,29,39H,13-17,21-23,27-28,30-31H2,1-10H3/b12-11+,33-19+,34-20+,35-24-,36-25-,37-26+,38-29-",BCPVRLMAESAYCE,AFWJVYGRSA,N,"Phytoene 1,2-epoxide",BCPVRLMAESAYCE-AFWJVYGRSA-N
HMDB36876,600.41786028,C40H56O4,C\C(\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1)=C/C=C\C=C(/C)\C=C/C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1,"InChI=1S/C40H56O4/c1-27(17-13-19-29(3)33-21-35-37(5,6)23-31(41)25-39(35,9)43-33)15-11-12-16-28(2)18-14-20-30(4)34-22-36-38(7,8)24-32(42)26-40(36,10)44-34/h11-22,31-34,41-42H,23-26H2,1-10H3/b12-11-,17-13-,18-14+,27-15+,28-16+,29-19-,30-20-",YLUSVJDFTAATNS,CDQXKQFZSA,N,Auroxanthin,YLUSVJDFTAATNS-CDQXKQFZSA-N
HMDB36877,568.428031036,C40H56O2,C\C(\C=C\C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1)=C/C=C\C=C(/C)\C=C/C=C(/C)C1OC2(C)CCCC(C)(C)C2=C1,"InChI=1S/C40H56O2/c1-29(19-13-21-31(3)33-27-35-37(5,6)23-15-25-39(35,9)41-33)17-11-12-18-30(2)20-14-22-32(4)34-28-36-38(7,8)24-16-26-40(36,10)42-34/h11-14,17-22,27-28,33-34H,15-16,23-26H2,1-10H3/b12-11-,19-13-,20-14+,29-17+,30-18+,31-21-,32-22-",JLFOTJPFBATTLK,KBGQBOCOSA,N,Aurochrome,JLFOTJPFBATTLK-KBGQBOCOSA-N
HMDB36878,166.099379692,C10H14O2,CC(=C)C12CCC(C)(OO1)C=C2,"InChI=1S/C10H14O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6H,1,5,7H2,2-3H3",RWPXEQVVWFZXTC,UHFFFAOYSA,N,"1,4-Epidioxy-p-mentha-2,8-diene",RWPXEQVVWFZXTC-UHFFFAOYSA-N
HMDB36879,166.099379692,C10H14O2,CC(=C)C12CCC3(C)OC3C1O2,"InChI=1S/C10H14O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h7-8H,1,4-5H2,2-3H3",CJWLGOWMMDDXLV,UHFFFAOYSA,N,"1,2:3,4-Diepoxy-p-menth-8-ene",CJWLGOWMMDDXLV-UHFFFAOYSA-N
HMDB36880,238.193280076,C15H26O2,C\C(C\C=C\C(C)(C)O)=C\CCC(C)(O)C=C,"InChI=1S/C15H26O2/c1-6-15(5,17)12-8-10-13(2)9-7-11-14(3,4)16/h6-7,10-11,16-17H,1,8-9,12H2,2-5H3/b11-7+,13-10-",WPGYCMWKXXCJMW,JSJZFMHOSA,N,"1,6,9-Farnesatriene-3,11-diol",WPGYCMWKXXCJMW-JSJZFMHOSA-N
HMDB36881,232.146329884,C15H20O2,C\C(C=O)=C1\C\C=C(C)\CCC=C(C)CC1=O,"InChI=1S/C15H20O2/c1-11-5-4-6-12(2)9-15(17)14(8-7-11)13(3)10-16/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-,14-13+",QYFIJPMUVNMVMC,IJHCSQTGSA,N,Germacrone-13-al,QYFIJPMUVNMVMC-IJHCSQTGSA-N
HMDB36882,472.334130652,C33H44O2,CC(=O)\C=C/C(/C)=C/C=C\C(\C)=C\C=C\C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C,"InChI=1S/C33H44O2/c1-25(15-11-17-27(3)19-21-30(6)34)13-9-10-14-26(2)16-12-18-28(4)20-22-32-29(5)23-31(35)24-33(32,7)8/h9-22,31,35H,23-24H2,1-8H3/b10-9+,15-11-,16-12+,21-19-,22-20+,25-13+,26-14-,27-17+,28-18-",JNRFHJQRIUJTNO,DBTGPYIJSA,N,Reticulataxanthin,JNRFHJQRIUJTNO-DBTGPYIJSA-N
HMDB36883,456.33921603,C33H44O,CC(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C33H44O/c1-26(16-11-18-28(3)21-23-31(6)34)14-9-10-15-27(2)17-12-19-29(4)22-24-32-30(5)20-13-25-33(32,7)8/h9-12,14-19,21-24H,13,20,25H2,1-8H3/b10-9+,16-11+,17-12+,23-21+,24-22+,26-14+,27-15+,28-18+,29-19-",PRDJTOVRIHGKNU,OZVHZJNCSA,N,Citranaxanthin,PRDJTOVRIHGKNU-OZVHZJNCSA-N
HMDB36884,488.329045274,C33H44O3,CC(=O)C1OC1(O)C(\C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C33H44O3/c1-24(16-11-17-26(3)21-22-30-27(4)19-13-23-32(30,7)8)14-9-10-15-25(2)18-12-20-28(5)33(35)31(36-33)29(6)34/h9-12,14-18,20-22,31,35H,13,19,23H2,1-8H3/b10-9+,16-11+,18-12+,22-21+,24-14+,25-15-,26-17-,28-20+",YDOUJCMZGQTKDH,WDNAESAISA,N,"7',8'-Dihydro-8'-hydroxycitraniaxanthin",YDOUJCMZGQTKDH-WDNAESAISA-N
HMDB36885,432.302830524,C30H40O2,C\C(C=O)=C\C=C/C(/C)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1C(C)=CC(O)CC1(C)C,"InChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-20,22,28-29,32H,21H2,1-7H3/b9-8-,14-10+,15-11-,19-18+,23-12+,24-13+,25-16-,26-17-",SPBPMWXNKPPVSX,LHMJRBLPSA,N,3-Hydroxy-8'-apo-epsilon-caroten-8'-al,SPBPMWXNKPPVSX-LHMJRBLPSA-N
HMDB36886,416.307915902,C30H40O,C\C(C=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17-,27-18+",DFMMVLFMMAQXHZ,IPIGPKAOSA,N,beta-Carotinal,DFMMVLFMMAQXHZ-IPIGPKAOSA-N
HMDB36887,376.276615774,C27H36O,C\C(\C=C\C=O)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7-,14-9+,16-11+,19-18+,22-12+,23-13+,24-15-",PJEHRCCPERVGEC,AMANCMKTSA,N,10'-Apo-beta-caroten-10'-al,PJEHRCCPERVGEC-AMANCMKTSA-N
HMDB36888,536.225761994,C27H36O11,CCC(C)(OC(C)=O)C(=O)OC1C2C3(C)OCC22C(CC4C(C)=CC(=O)C(O)C4(C)C2C(O)C3O)OC1=O,"InChI=1S/C27H36O11/c1-7-24(4,38-12(3)28)23(34)37-17-19-26(6)21(32)16(30)18-25(5)13(11(2)8-14(29)20(25)31)9-15(36-22(17)33)27(18,19)10-35-26/h8,13,15-21,30-32H,7,9-10H2,1-6H3",FXMIXHYJCNZLFE,UHFFFAOYSA,N,Quassimarin,FXMIXHYJCNZLFE-UHFFFAOYSA-N
HMDB36889,378.204238692,C21H30O6,COC1=CC(C)C2CC3OC(O)CC4C(C)C(=O)C(O)C(C34C)C2(C)C1=O,"InChI=1S/C21H30O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9-12,14-15,17-18,22,24H,7-8H2,1-5H3",ZXEXAUWPQPJYJZ,UHFFFAOYSA,N,11-Dihydro-12-norneoquassin,ZXEXAUWPQPJYJZ-UHFFFAOYSA-N
HMDB36890,364.152203122,C19H24O7,CC12C3C(C(O)=O)C45CC(O)(CCC4C3(CCC1O)OC2=O)C(=C)C5O,"InChI=1S/C19H24O7/c1-8-13(21)18-7-17(8,25)5-3-9(18)19-6-4-10(20)16(2,15(24)26-19)12(19)11(18)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)",SISDKGXXRJQNSE,UHFFFAOYSA,N,Gibberellin A72,SISDKGXXRJQNSE-UHFFFAOYSA-N
HMDB36891,346.141638436,C19H22O6,OCC12C=CCC3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H22O6/c1-10-7-17-8-18(10,24)6-3-11(17)19-5-2-4-16(9-20,15(23)25-19)13(19)12(17)14(21)22/h2,4,11-13,20,24H,1,3,5-9H2,(H,21,22)",UPCTWJNMQCQZPT,UHFFFAOYSA,N,Gibberellin A22,UPCTWJNMQCQZPT-UHFFFAOYSA-N
HMDB36892,346.141638436,C19H22O6,[H][C@]12[C@H](C(O)=O)[C@@]34C[C@@H](C[C@H](O)[C@@]3([H])[C@@]11OC(=O)[C@@]2(C)[C@@H](O)C=C1)C(=C)C4,"InChI=1S/C19H22O6/c1-8-6-18-7-9(8)5-10(20)13(18)19-4-3-11(21)17(2,16(24)25-19)14(19)12(18)15(22)23/h3-4,9-14,20-21H,1,5-7H2,2H3,(H,22,23)/t9?,10-,11-,12+,13+,14+,17+,18+,19+/m0/s1",ITIKZMJAVWOFFK,YBCHDQJDSA,N,11beta-Hydroxygibberellin A7,ITIKZMJAVWOFFK-YBCHDQJDSA-N
HMDB36893,380.147117744,C19H24O8,CC12C3C(C(O)=O)C45CC(O)(CCC4C3(CC(O)C1O)OC2=O)C(=C)C5O,"InChI=1S/C19H24O8/c1-7-12(21)18-6-17(7,26)4-3-9(18)19-5-8(20)13(22)16(2,15(25)27-19)11(19)10(18)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)",VCYXZJKAYAIMDV,UHFFFAOYSA,N,Gibberellin A75,VCYXZJKAYAIMDV-UHFFFAOYSA-N
HMDB36894,346.178023942,C20H26O5,CC12CCCC3(COC1=O)C1CCC4CC1(C(O)C4=C)C(C23)C(O)=O,"InChI=1S/C20H26O5/c1-10-11-4-5-12-19-7-3-6-18(2,17(24)25-9-19)14(19)13(16(22)23)20(12,8-11)15(10)21/h11-15,21H,1,3-9H2,2H3,(H,22,23)",MJFVMFNFTCKAEV,UHFFFAOYSA,N,Gibberellin A64,MJFVMFNFTCKAEV-UHFFFAOYSA-N
HMDB36895,348.193674006,C20H28O5,CC12CCCC(C)(C1C(C(O)=O)C13CC(=C)C(O)(C1)CCC23)C(O)=O,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)",CZEMYYICWZPENF,UHFFFAOYSA,N,Gibberellin A53,CZEMYYICWZPENF-UHFFFAOYSA-N
HMDB36896,362.172938564,C20H26O6,CC1(CCCC2(C=O)C3CCC4(O)CC3(CC4=C)C(C12)C(O)=O)C(O)=O,"InChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)",VNCQCPQAMDQEBY,UHFFFAOYSA,N,Gibberellin A19,VNCQCPQAMDQEBY-UHFFFAOYSA-N
HMDB36897,378.167853186,C20H26O7,CC1(CCCC2(C3CCC4(O)CC3(CC4=C)C(C12)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)",AUKMHZZVLPQAOX,UHFFFAOYSA,N,Gibberellin A17,AUKMHZZVLPQAOX-UHFFFAOYSA-N
HMDB36898,364.152203122,C19H24O7,CC12CC(O)CC3(OC1=O)C1CCC4(O)CC1(C(O)C4=C)C(C23)C(O)=O,"InChI=1S/C19H24O7/c1-8-13(21)18-7-17(8,25)4-3-10(18)19-6-9(20)5-16(2,15(24)26-19)12(19)11(18)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)",MVTFVUOAPQNRRR,UHFFFAOYSA,N,Gibberellin A76,MVTFVUOAPQNRRR-UHFFFAOYSA-N
HMDB36899,362.172938564,C20H26O6,CC1(CCCC2(C=O)C3CCC4CC3(C(O)C4=C)C(C12)C(O)=O)C(O)=O,"InChI=1S/C20H26O6/c1-10-11-4-5-12-19(9-21)7-3-6-18(2,17(25)26)14(19)13(16(23)24)20(12,8-11)15(10)22/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)",XIYAYYIGCSWTQO,UHFFFAOYSA,N,Gibberellin A65,XIYAYYIGCSWTQO-UHFFFAOYSA-N
HMDB36900,378.167853186,C20H26O7,CC1(CCCC2(C3CCC4CC3(C(O)C4=C)C(C12)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C20H26O7/c1-9-10-4-5-11-19(17(26)27)7-3-6-18(2,16(24)25)13(19)12(15(22)23)20(11,8-10)14(9)21/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)",GYALTOSSVLCVLA,UHFFFAOYSA,N,Gibberellin A66,GYALTOSSVLCVLA-UHFFFAOYSA-N
HMDB36901,346.178023942,C20H26O5,CC12CCCC3(COC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)",KSBJAONOPKRVRR,UHFFFAOYSA,N,Gibberellin A44,KSBJAONOPKRVRR-UHFFFAOYSA-N
HMDB36902,362.172938564,C20H26O6,CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(CCC1O)COC2=O,"InChI=1S/C20H26O6/c1-10-7-19-8-20(10,25)6-3-11(19)18-5-4-12(21)17(2,16(24)26-9-18)14(18)13(19)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)",GAQSCLQIDHHPEE,UHFFFAOYSA,N,Gibberellin A38,GAQSCLQIDHHPEE-UHFFFAOYSA-N
HMDB36903,524.225761994,C26H36O11,CC12C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)C45CC(=C)C(O)(C4)CCC5C3(CCC1O)COC2=O,"InChI=1S/C26H36O11/c1-11-7-25-9-26(11,34)6-3-13(25)24-5-4-14(28)23(2,22(33)35-10-24)19(24)15(25)20(32)37-21-18(31)17(30)16(29)12(8-27)36-21/h12-19,21,27-31,34H,1,3-10H2,2H3",DDEBJBVQDFATPL,UHFFFAOYSA,N,Gibberellin A38 glucosyl ester,DDEBJBVQDFATPL-UHFFFAOYSA-N
HMDB36904,426.386166222,C30H50O,CC(C)C1CCC2(C)CCC3(C)C4CCC5(C)C(CCC(O)C5=C)C4(C)CCC3(C)C12,"InChI=1S/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19,21-25,31H,3,9-18H2,1-2,4-8H3",QEDMSLJZGCZBIF,UHFFFAOYSA,N,Cymbopogonol,QEDMSLJZGCZBIF-UHFFFAOYSA-N
HMDB36905,176.083729628,C11H12O2,C=CCOC(=O)CC1=CC=CC=C1,"InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2",ZCDYAMJXVAUTIM,UHFFFAOYSA,N,2-Propenyl phenylacetate,ZCDYAMJXVAUTIM-UHFFFAOYSA-N
HMDB36906,193.110278729,C11H15NO2,CCCCOC(=O)C1=CC=CC=C1N,"InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3",HUIYGGQINIVDNW,UHFFFAOYSA,N,Butyl 2-aminobenzoate,HUIYGGQINIVDNW-UHFFFAOYSA-N
HMDB36907,152.047344122,C8H8O3,C=CCOC(=O)C1=CC=CO1,"InChI=1S/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2",SJRQTHAMRUOPBJ,UHFFFAOYSA,N,2-Propenyl 2-furancarboxylate,SJRQTHAMRUOPBJ-UHFFFAOYSA-N
HMDB36908,222.198365454,C15H26O,CC(C)=CCCC1(C)OC2(C)CCC1CC2,"InChI=1S/C15H26O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6,13H,5,7-11H2,1-4H3",BAQRIYKLDIPFQB,UHFFFAOYSA,N,Sesquicineol,BAQRIYKLDIPFQB-UHFFFAOYSA-N
HMDB36909,538.453851856,C40H58,CC(C)=CCC\C(C)=C/CC\C(C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1C(C)=CCCC1(C)C,"InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19-,34-20+,35-24-,36-25+,37-27-",IGABZIVJSNQMPZ,XWGRIQFUSA,N,alpha-Zeacarotene,IGABZIVJSNQMPZ-XWGRIQFUSA-N
HMDB36910,552.433116414,C40H56O,CC(=C)C(O)CC\C(C)=C/C=C/C(/C)=C/C=C/C(/C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H56O/c1-31(2)39(41)29-27-36(7)24-15-22-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-23-35(6)26-28-38-37(8)25-16-30-40(38,9)10/h11-15,17-24,26,28,39,41H,1,16,25,27,29-30H2,2-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,32-17-,33-18+,34-21+,35-23-,36-24-",QNZZRCYICVHHEE,RBXKNNLHSA,N,Aleuriaxanthin,QNZZRCYICVHHEE-RBXKNNLHSA-N
HMDB36911,578.375995466,C40H50O3,C\C(\C=C\C=C(\C)C#CC1=C(C)CC(O)CC1(C)C)=C\C=C/C=C(/C)\C=C\C=C(\C)C(=O)\C=C1/C(C)=CC(=O)CC1(C)C,"InChI=1S/C40H50O3/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)26-39(36,7)8)15-11-12-16-29(2)19-14-20-31(4)38(43)25-37-33(6)24-35(42)27-40(37,9)10/h11-20,24-25,34,41H,23,26-27H2,1-10H3/b12-11-,17-13+,19-14+,28-15-,29-16-,30-18-,31-20-,37-25+",VLTTXUMXZICUTM,PTOXRNNBSA,N,Anhydroamarouciaxanthin B,VLTTXUMXZICUTM-PTOXRNNBSA-N
HMDB36912,600.41786028,C40H56O4,C/C(/C=C/C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C)=C\C=C\C=C(\C)/C=C/C=C(/C)\C=C\C1(O)C(C)=CC(O)CC1(C)C,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39(43)33(5)25-34(41)26-36(39,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-40-37(8,9)27-35(42)28-38(40,10)44-40/h11-25,34-35,41-43H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15-,30-16+,31-19-,32-20-",SVQBXFMDOMCWNO,IEYSKXRHSA,N,Salmoxanthin,SVQBXFMDOMCWNO-IEYSKXRHSA-N
HMDB36913,600.41786028,C40H56O4,C/C(/C=C\C=C(/C)\C=C/C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1,"InChI=1S/C40H56O4/c1-28(15-11-12-20-31(4)34-23-35-37(5,6)24-32(41)27-40(35,10)44-34)16-13-17-29(2)18-14-19-30(3)21-22-36(43)39(9)26-33(42)25-38(39,7)8/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,16-13-,18-14-,22-21+,28-15+,29-17+,30-19-,31-20-",PLVBBQBJTBWTDY,XGNSBGGRSA,N,Capsochrome,PLVBBQBJTBWTDY-XGNSBGGRSA-N
HMDB36914,584.422945658,C40H56O3,CC(=O)CCCC(C)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H56O3/c1-30(18-13-20-32(3)23-25-37-34(5)28-36(42)29-40(37,9)10)16-11-12-17-31(2)19-14-21-33(4)24-26-38(43)39(7,8)27-15-22-35(6)41/h11-14,16-21,23-26,36,42H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20-,33-21+",DSSJLYAIYPLGLX,BEWVHMHCSA,N,Triphasiaxanthin,DSSJLYAIYPLGLX-BEWVHMHCSA-N
HMDB36915,570.4436811,C40H58O2,C\C(CCC1=C(C)CC(O)CC1(C)C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,22,24-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+",ZAYHYNGKERKFHJ,ZRVUQIMUSA,N,Parasiloxanthin,ZAYHYNGKERKFHJ-ZRVUQIMUSA-N
HMDB36916,572.459331164,C40H60O2,C\C(CCC1=C(C)CC(O)CC1(C)C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)CCC1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H60O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,21-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+",DCNLLBVWQNTIMR,PJQROKOUSA,N,"7,8-Dihydroparasiloxanthin",DCNLLBVWQNTIMR-PJQROKOUSA-N
HMDB36917,552.433116414,C40H56O,C\C(\C=C\C=C(/C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1,"InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-25,29,35-36H,15-16,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+",QWVMSYBGKWZIIE,FZKBJVJCSA,N,Flavochrome,QWVMSYBGKWZIIE-FZKBJVJCSA-N
HMDB36918,598.402210216,C40H54O4,CC1CC(=O)CC(C)(C)C1(O)CC(=O)C(\C)=C\C=C/C(/C)=C/C=C/C=C(/C)\C=C/C=C(/C)C#CC1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-20,33-34,41,44H,23-27H2,1-10H3/b12-11+,17-13-,19-14-,28-15-,29-16+,30-18-,31-20+",BNDHJHDWBOVXQE,DUUAFRJNSA,N,Isomytiloxanthin,BNDHJHDWBOVXQE-DUUAFRJNSA-N
HMDB36919,568.428031036,C40H56O2,C\C(CO)=C/CC\C(C)=C\C=C\C(\C)=C/C=C/C(/C)=C/C=C\C=C(\C)/C=C\C=C(\C)/C=C\C=C(/C)CC\C=C(/C)CO,"InChI=1S/C40H56O2/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3/b10-9-,19-11-,20-12+,23-13-,24-14+,33-17-,34-18+,35-21-,36-22-,37-25+,38-26+,39-29+,40-30+",JEVVKJMRZMXFBT,BONGSULASA,N,Lycophyll,JEVVKJMRZMXFBT-BONGSULASA-N
HMDB36921,552.433116414,C40H56O,CC(C)=CCC\C(C)=C\C=C\C(\C)=C/C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11-,21-14-,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24-,36-26-",ABTRFGSPYXCGMR,QNLINFIDSA,N,(all-E)-Rubixanthin,ABTRFGSPYXCGMR-QNLINFIDSA-N
HMDB36922,568.428031036,C40H56O2,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(O)CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(O)CCC1(C)C,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",GYZWNQLEQAGWGD,DKLMTRRASA,N,Isozeaxanthin,GYZWNQLEQAGWGD-DKLMTRRASA-N
HMDB36923,568.428031036,C40H56O2,C/C(/C=C/C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20-,33-21-",ITZNDVRDABSNRE,JLPYQHGFSA,N,Cryptocapsin,ITZNDVRDABSNRE-JLPYQHGFSA-N
HMDB36924,600.417860283,C40H56O4,C\C(\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1",GVOIABOMXKDDGU,YUURSNASSA,N,Capsorubin,GVOIABOMXKDDGU-YUURSNASSA-N
HMDB36925,536.438201792,C40H56,CC(C)=CCC\C(C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1C(C)=CCCC1(C)C,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24-,36-25+,37-27-",WGIYGODPCLMGQH,KVLQZIEZSA,N,delta-Carotene,WGIYGODPCLMGQH-KVLQZIEZSA-N
HMDB36926,552.433116414,C40H56O,C\C(CCC1OC1(C)C)=C\C=C\C(\C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1C(C)=CCCC1(C)C,"InChI=1S/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-26,28,37-38H,16,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17-,32-18+,33-21+,34-23-,35-24-",CGHSLDCVYVQRJG,URLQBFNESA,N,"delta-Carotene-1,2-epoxide",CGHSLDCVYVQRJG-URLQBFNESA-N
HMDB36927,540.46950192,C40H60,CC(C)=CCC\C(C)=C/CC\C(C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C\C=C(/C)CC\C=C(\C)CCC=C(C)C,"InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15-,26-16+,35-21+,36-22+,37-27-,38-28-,39-29+,40-30-",BIWLELKAFXRPDE,ZKZMNQNVSA,N,"7,7',8,8'-Tetrahydrolycopene",BIWLELKAFXRPDE-ZKZMNQNVSA-N
HMDB36928,636.438989652,C40H60O6,C/C(/C=C/C=C(/C)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1(O)C(C)(C)CC(O)CC1(C)O,"InChI=1S/C40H60O6/c1-29(17-13-19-31(3)21-23-39(45)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40(46)36(7,8)26-34(42)28-38(40,10)44/h11-24,33-34,41-46H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+",QOXCNWZDKKXAOL,GJFRSXNUSA,N,Mactraxanthin,QOXCNWZDKKXAOL-GJFRSXNUSA-N
HMDB36929,418.199153314,C23H30O7,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3CC(C)(C)CC3(O)C=C(CO)C12O,"InChI=1S/C23H30O7/c1-12-5-14(25)6-15(26)18(12)19(27)30-17-9-21(4)16-8-20(2,3)11-22(16,28)7-13(10-24)23(17,21)29/h5-7,16-17,24-26,28-29H,8-11H2,1-4H3",ABFOJGYAILKEJB,UHFFFAOYSA,N,13-Hydroxydihydromelleolide,ABFOJGYAILKEJB-UHFFFAOYSA-N
HMDB36930,318.219494826,C20H30O3,CC12CCCC(C)(C1CCC13CC(CCC21)C(=C)C3O)C(O)=O,"InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)",GVGJRXSJJHLPGZ,UHFFFAOYSA,N,Grandiflorolic acid,GVGJRXSJJHLPGZ-UHFFFAOYSA-N
HMDB36931,264.136159128,C15H20O4,C\C1=C\C(O)C2C(CC(=C)C(O)CC1)OC(=O)C2=C,"InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,11-14,16-17H,2-5,7H2,1H3/b8-6-",KNEQPJSDSYNUHP,VURMDHGXSA,N,Tatridin B,KNEQPJSDSYNUHP-VURMDHGXSA-N
HMDB36932,362.048525912,C13H14O12,OC(C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)C(O)C(O)=O,"InChI=1S/C13H14O12/c14-4-1-3(2-5(15)6(4)16)13(24)25-10(12(22)23)8(18)7(17)9(19)11(20)21/h1-2,7-10,14-19H,(H,20,21)(H,22,23)",KJWXZHRHCSMFSY,UHFFFAOYSA,N,2-O-Galloylgalactaric acid,KJWXZHRHCSMFSY-UHFFFAOYSA-N
HMDB36933,376.064175976,C14H16O12,COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O)C(O)C(O)=O,"InChI=1S/C14H16O12/c1-25-14(24)11(9(19)8(18)10(20)12(21)22)26-13(23)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-20H,1H3,(H,21,22)",XDMSDABSDRMKOO,UHFFFAOYSA,N,1-Methyl 2-galloylgalactarate,XDMSDABSDRMKOO-UHFFFAOYSA-N
HMDB36934,376.064175976,C14H16O12,COC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O,"InChI=1S/C14H16O12/c1-25-14(24)10(20)8(18)9(19)11(12(21)22)26-13(23)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-20H,1H3,(H,21,22)",UVUGMMKTRWZGRA,UHFFFAOYSA,N,6-Methyl 2-galloylgalactarate,UVUGMMKTRWZGRA-UHFFFAOYSA-N
HMDB36935,390.07982604,C15H18O12,COC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)OC,"InChI=1S/C15H18O12/c1-25-14(23)11(21)9(19)10(20)12(15(24)26-2)27-13(22)5-3-6(16)8(18)7(17)4-5/h3-4,9-12,16-21H,1-2H3",FUZPULBJXZQHRK,UHFFFAOYSA,N,Dimethyl 2-galloylgalactarate,FUZPULBJXZQHRK-UHFFFAOYSA-N
HMDB36936,326.100167552,C15H18O8,OCC1OC(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",DSNCQKUYZOSARM,ZZXKWVIFSA,N,1-O-p-Coumaroyl-beta-D-glucose,DSNCQKUYZOSARM-ZZXKWVIFSA-N
HMDB36937,342.095082174,C15H18O9,OCC1OC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",WQSDYZZEIBAPIN,DUXPYHPUSA,N,1-O-Caffeoylglucose,WQSDYZZEIBAPIN-DUXPYHPUSA-N
HMDB36938,356.110732238,C16H20O9,COC1=C(O)C=CC(\C=C\C(=O)OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+",JWRQVQWBNRGGPK,HWKANZROSA,N,1-O-Feruloylglucose,JWRQVQWBNRGGPK-HWKANZROSA-N
HMDB36939,613.113510707,C22H31NO15S2,CC1OC(OC2=CC=C(C\C(SC3OC(CO)C(O)C(O)C3O)=N/OS(O)(=O)=O)C=C2)C(O)C(O)C1OC(C)=O,"InChI=1S/C22H31NO15S2/c1-9-20(35-10(2)25)17(28)18(29)21(34-9)36-12-5-3-11(4-6-12)7-14(23-38-40(31,32)33)39-22-19(30)16(27)15(26)13(8-24)37-22/h3-6,9,13,15-22,24,26-30H,7-8H2,1-2H3,(H,31,32,33)/b23-14+",GYVDCHYBTDOMRS,OEAKJJBVSA,N,Glucosinalbin 4-(4-acetylrhamnoside),GYVDCHYBTDOMRS-OEAKJJBVSA-N
HMDB36940,428.292659768,C27H40O4,CC1C2C(CC3C4CC(=O)C5CC(=O)CCC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3",CGXQJOWMWZPOPV,UHFFFAOYSA,N,"Spirostane-3,6-dione",CGXQJOWMWZPOPV-UHFFFAOYSA-N
HMDB36941,414.31339521,C27H42O3,CC1C2C(CC3C4CCC5CC(=O)CCC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24H,5-15H2,1-4H3",CIBAPVLFORANSS,UHFFFAOYSA,N,Smilagenone,CIBAPVLFORANSS-UHFFFAOYSA-N
HMDB36942,1732.756718092,C78H124O42,CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O,"InChI=1S/C78H124O42/c1-26-40(86)56(114-66-51(97)46(92)43(89)33(21-79)109-66)60(117-65-50(96)42(88)32(84)25-105-65)69(106-26)119-62-59(116-67-52(98)47(93)44(90)34(22-80)110-67)55(108-28(3)82)27(2)107-70(62)120-72(103)78-18-17-73(4,5)19-30(78)29-11-12-37-75(8)15-14-39(74(6,7)36(75)13-16-76(37,9)77(29,10)20-38(78)85)112-71-61(118-68-53(99)48(94)45(91)35(23-81)111-68)57(54(100)58(115-71)63(101)102)113-64-49(95)41(87)31(83)24-104-64/h11,26-27,30-62,64-71,79-81,83-100H,12-25H2,1-10H3,(H,101,102)",VJZCSBCQSQEMOM,UHFFFAOYSA,N,"(3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[glucosyl-(1->3)-[xylosyl-(1->2)]-rhamnosyl-(1->2)]-4-acetylfucosyl] ester",VJZCSBCQSQEMOM-UHFFFAOYSA-N
HMDB36943,824.419436,C42H64O16,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H64O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,18,20-32,34-35,43,45-51H,8-17H2,1-6H3,(H,52,53)",QUKCKUMUBOPETR,UHFFFAOYSA,N,Oleragenoside,QUKCKUMUBOPETR-UHFFFAOYSA-N
HMDB36944,364.188588628,C20H28O6,CC12CCCC(C)(C1C(C(O)=O)C13CC(=C)C(O)(C1)C(O)CC23)C(O)=O,"InChI=1S/C20H28O6/c1-10-8-19-9-20(10,26)12(21)7-11(19)17(2)5-4-6-18(3,16(24)25)14(17)13(19)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)",PIKIDCPJSQIMHW,UHFFFAOYSA,N,Gibberellin A123,PIKIDCPJSQIMHW-UHFFFAOYSA-N
HMDB36945,378.167853186,C20H26O7,CC1(CCCC2(C=O)C3CC(O)C4(O)CC3(CC4=C)C(C12)C(O)=O)C(O)=O,"InChI=1S/C20H26O7/c1-10-7-19-8-20(10,27)12(22)6-11(19)18(9-21)5-3-4-17(2,16(25)26)14(18)13(19)15(23)24/h9,11-14,22,27H,1,3-8H2,2H3,(H,23,24)(H,25,26)",RYEQDBJAVSWVOI,UHFFFAOYSA,N,Gibberellin A125,RYEQDBJAVSWVOI-UHFFFAOYSA-N
HMDB36946,708.335706372,C36H52O14,CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(CCC5(O)C4CCC3=C2)C2=COC(=O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C36H52O14/c1-16-26(40)29(43)31(50-32-30(44)28(42)27(41)23(14-37)49-32)33(47-16)48-19-8-10-34(2)18(12-19)5-6-21-22(34)13-24(38)35(3)20(9-11-36(21,35)45)17-4-7-25(39)46-15-17/h4,7,12,15-16,19-24,26-33,37-38,40-45H,5-6,8-11,13-14H2,1-3H3",AZXOOWUNELCFPH,UHFFFAOYSA,N,Scillipheosidin 3-[glucosyl-(1->2)-rhamnoside],AZXOOWUNELCFPH-UHFFFAOYSA-N
HMDB36947,1876.798976836,C84H132O46,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(OC6OCC(O)(CO)C6O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C84H132O46/c1-28-42(92)46(96)50(100)69(114-28)124-60-54(104)62(67(108)109)126-75(64(60)128-72-53(103)49(99)45(95)37(23-86)120-72)121-41-15-16-79(8)38(80(41,9)25-87)14-17-81(10)39(79)13-12-33-34-20-78(6,7)18-19-84(34,40(91)21-82(33,81)11)77(110)130-74-65(63(58(31(4)117-74)118-32(5)89)127-70-51(101)47(97)43(93)29(2)115-70)129-73-56(106)61(125-71-52(102)48(98)44(94)36(22-85)119-71)57(30(3)116-73)122-68-55(105)59(35(90)24-112-68)123-76-66(107)83(111,26-88)27-113-76/h12,25,28-31,34-66,68-76,85-86,88,90-107,111H,13-24,26-27H2,1-11H3,(H,108,109)",DYDVEUMBLQOHCZ,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[apiosyl-(1->3)-xylosyl-(1->4)-[glucosyl-(1->3)]-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester,DYDVEUMBLQOHCZ-UHFFFAOYSA-N
HMDB36948,1626.693723906,C74H114O39,CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(COC(C)=O)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C74H114O39/c1-26-53(107-61-47(89)40(82)32(79)22-99-61)46(88)51(93)63(101-26)112-59-57(110-65-50(92)45(87)43(85)35(105-65)24-98-28(3)77)54(103-29(4)78)27(2)102-66(59)113-68(97)74-18-17-69(5,6)19-31(74)30-11-12-37-70(7)15-14-39(71(8,25-76)36(70)13-16-72(37,9)73(30,10)20-38(74)81)106-67-58(111-64-49(91)44(86)42(84)34(21-75)104-64)55(52(94)56(109-67)60(95)96)108-62-48(90)41(83)33(80)23-100-62/h11,25-27,31-59,61-67,75,79-94H,12-24H2,1-10H3,(H,95,96)",HQXVDKYGUHXBNZ,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[6-acetyl-glucosyl-(1->3)-[xylosyl-(1->4)-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,HQXVDKYGUHXBNZ-UHFFFAOYSA-N
HMDB36949,1640.70937397,C75H116O39,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(COC(C)=O)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C75H116O39/c1-26-40(82)44(86)49(91)63(101-26)109-56-53(95)57(61(96)97)110-68(59(56)112-65-50(92)45(87)42(84)34(22-76)105-65)107-39-15-16-71(8)36(72(39,9)25-77)14-17-73(10)37(71)13-12-31-32-20-70(6,7)18-19-75(32,38(81)21-74(31,73)11)69(98)114-67-60(113-64-52(94)47(89)54(27(2)102-64)108-62-48(90)41(83)33(80)23-100-62)58(55(28(3)103-67)104-30(5)79)111-66-51(93)46(88)43(85)35(106-66)24-99-29(4)78/h12,25-28,32-60,62-68,76,80-95H,13-24H2,1-11H3,(H,96,97)",YZXHDUJUOVKVIS,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[6-acetyl-glucosyl-(1->3)-[xylosyl-(1->4)-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,YZXHDUJUOVKVIS-UHFFFAOYSA-N
HMDB36950,1746.73598265,C78H122O43,CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C78H122O43/c1-26-55(114-64-48(95)40(87)31(84)23-105-64)58(116-66-50(97)45(92)42(89)33(20-79)110-66)54(101)69(107-26)120-62-60(118-67-51(98)46(93)43(90)34(21-80)111-67)56(109-28(3)83)27(2)108-70(62)121-72(104)78-17-16-73(4,5)18-30(78)29-10-11-37-74(6)14-13-39(75(7,25-82)36(74)12-15-76(37,8)77(29,9)19-38(78)86)113-71-61(119-68-52(99)47(94)44(91)35(22-81)112-68)57(53(100)59(117-71)63(102)103)115-65-49(96)41(88)32(85)24-106-65/h10,25-27,30-62,64-71,79-81,84-101H,11-24H2,1-9H3,(H,102,103)",FJIPBFYLXJVQNV,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,FJIPBFYLXJVQNV-UHFFFAOYSA-N
HMDB36951,1760.751632714,C79H124O43,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C79H124O43/c1-26-40(87)45(92)50(97)66(107-26)116-58-54(101)60(64(103)104)118-72(62(58)120-69-53(100)48(95)44(91)35(23-82)113-69)114-39-14-15-75(7)36(76(39,8)25-83)13-16-77(9)37(75)12-11-30-31-19-74(5,6)17-18-79(31,38(86)20-78(30,77)10)73(105)122-71-63(61(57(28(3)109-71)110-29(4)84)119-68-52(99)47(94)43(90)34(22-81)112-68)121-70-55(102)59(117-67-51(98)46(93)42(89)33(21-80)111-67)56(27(2)108-70)115-65-49(96)41(88)32(85)24-106-65/h11,25-28,31-63,65-72,80-82,85-102H,12-24H2,1-10H3,(H,103,104)",JOBJJOSSDRZNJO,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,JOBJJOSSDRZNJO-UHFFFAOYSA-N
HMDB36952,1788.746547336,C80H124O44,CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(COC(C)=O)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C80H124O44/c1-27-57(117-66-50(97)42(89)33(86)23-108-66)60(119-68-52(99)47(94)44(91)35(21-81)113-68)56(103)71(110-27)123-64-62(121-70-54(101)49(96)46(93)37(115-70)25-107-29(3)84)58(112-30(4)85)28(2)111-72(64)124-74(106)80-18-17-75(5,6)19-32(80)31-11-12-39-76(7)15-14-41(77(8,26-83)38(76)13-16-78(39,9)79(31,10)20-40(80)88)116-73-63(122-69-53(100)48(95)45(92)36(22-82)114-69)59(55(102)61(120-73)65(104)105)118-67-51(98)43(90)34(87)24-109-67/h11,26-28,32-64,66-73,81-82,86-103H,12-25H2,1-10H3,(H,104,105)",IPTFGTAXXVOSDM,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[6-acetyl-glucosyl-(1->3)-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,IPTFGTAXXVOSDM-UHFFFAOYSA-N
HMDB36953,1802.7621974,C81H126O44,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(COC(C)=O)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C81H126O44/c1-27-42(89)47(94)52(99)68(110-27)119-60-56(103)62(66(105)106)121-74(64(60)123-70-54(101)49(96)45(92)36(23-83)115-70)117-41-15-16-77(8)38(78(41,9)26-84)14-17-79(10)39(77)13-12-32-33-20-76(6,7)18-19-81(33,40(88)21-80(32,79)11)75(107)125-73-65(63(59(29(3)112-73)113-31(5)86)122-71-55(102)50(97)46(93)37(116-71)25-108-30(4)85)124-72-57(104)61(120-69-53(100)48(95)44(91)35(22-82)114-69)58(28(2)111-72)118-67-51(98)43(90)34(87)24-109-67/h12,26-29,33-65,67-74,82-83,87-104H,13-25H2,1-11H3,(H,105,106)",VKCJVAKTFKLQPX,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[6-acetyl-glucosyl-(1->3)-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,VKCJVAKTFKLQPX-UHFFFAOYSA-N
HMDB36954,1614.693723906,C73H114O39,CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,"InChI=1S/C73H114O39/c1-25-38(81)53(106-61-47(90)43(86)40(83)31(20-74)102-61)51(94)64(99-25)111-58-56(109-62-48(91)44(87)41(84)32(21-75)103-62)52(101-27(3)78)26(2)100-65(58)112-67(97)73-17-16-68(4,5)18-29(73)28-10-11-35-69(6)14-13-37(70(7,24-77)34(69)12-15-71(35,8)72(28,9)19-36(73)80)105-66-57(110-63-49(92)45(88)42(85)33(22-76)104-63)54(50(93)55(108-66)59(95)96)107-60-46(89)39(82)30(79)23-98-60/h10,24-26,29-58,60-66,74-76,79-94H,11-23H2,1-9H3,(H,95,96)",XLVVYEHHDGBXOQ,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[glucosyl-(1->3)-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,XLVVYEHHDGBXOQ-UHFFFAOYSA-N
HMDB36955,1628.70937397,C74H116O39,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(C)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C74H116O39/c1-25-38(81)43(86)47(90)61(99-25)108-55-51(94)56(60(96)97)109-67(58(55)111-64-50(93)46(89)42(85)33(23-77)105-64)106-37-14-15-70(7)34(71(37,8)24-78)13-16-72(9)35(70)12-11-29-30-19-69(5,6)17-18-74(30,36(80)20-73(29,72)10)68(98)113-66-59(57(53(27(3)101-66)102-28(4)79)110-63-49(92)45(88)41(84)32(22-76)104-63)112-65-52(95)54(39(82)26(2)100-65)107-62-48(91)44(87)40(83)31(21-75)103-62/h11,24-27,30-59,61-67,75-77,80-95H,12-23H2,1-10H3,(H,96,97)",KPVWVXXXAFTINI,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[glucosyl-(1->3)-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,KPVWVXXXAFTINI-UHFFFAOYSA-N
HMDB36956,1730.741068028,C78H122O42,CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O,"InChI=1S/C78H122O42/c1-26-40(86)45(91)50(96)66(106-26)117-60-56(109-29(4)82)28(3)108-70(62(60)119-69-54(100)58(115-67-51(97)46(92)43(89)34(21-79)110-67)55(27(2)107-69)113-64-48(94)41(87)32(83)23-104-64)120-72(103)78-18-17-73(5,6)19-31(78)30-11-12-37-74(7)15-14-39(75(8,25-81)36(74)13-16-76(37,9)77(30,10)20-38(78)85)112-71-61(118-68-52(98)47(93)44(90)35(22-80)111-68)57(53(99)59(116-71)63(101)102)114-65-49(95)42(88)33(84)24-105-65/h11,25-28,31-62,64-71,79-80,83-100H,12-24H2,1-10H3,(H,101,102)",BEXSTTCLUPAPMB,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[rhamnosyl-(1->3)-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,BEXSTTCLUPAPMB-UHFFFAOYSA-N
HMDB36957,1744.756718092,C79H124O42,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C79H124O42/c1-26-40(86)45(91)50(96)66(106-26)115-58-54(100)60(64(102)103)117-72(62(58)119-69-53(99)48(94)44(90)35(23-81)112-69)113-39-15-16-75(8)36(76(39,9)25-82)14-17-77(10)37(75)13-12-31-32-20-74(6,7)18-19-79(32,38(85)21-78(31,77)11)73(104)121-71-63(61(57(29(4)109-71)110-30(5)83)118-67-51(97)46(92)41(87)27(2)107-67)120-70-55(101)59(116-68-52(98)47(93)43(89)34(22-80)111-68)56(28(3)108-70)114-65-49(95)42(88)33(84)24-105-65/h12,25-29,32-63,65-72,80-81,84-101H,13-24H2,1-11H3,(H,102,103)",FPKFGFGFNVQYEC,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[rhamnosyl-(1->3)-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,FPKFGFGFNVQYEC-UHFFFAOYSA-N
HMDB36958,1584.68315922,C72H112O38,CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C72H112O38/c1-25-51(104-59-45(87)38(80)30(77)22-96-59)44(86)49(91)61(98-25)109-57-55(107-62-47(89)42(84)40(82)32(20-73)101-62)52(100-27(3)76)26(2)99-64(57)110-66(95)72-17-16-67(4,5)18-29(72)28-10-11-35-68(6)14-13-37(69(7,24-75)34(68)12-15-70(35,8)71(28,9)19-36(72)79)103-65-56(108-63-48(90)43(85)41(83)33(21-74)102-63)53(50(92)54(106-65)58(93)94)105-60-46(88)39(81)31(78)23-97-60/h10,24-26,29-57,59-65,73-74,77-92H,11-23H2,1-9H3,(H,93,94)",OWVXRCQFFFWXGZ,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[xylosyl-(1->4)-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,OWVXRCQFFFWXGZ-UHFFFAOYSA-N
HMDB36959,1598.698809284,C73H114O38,CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C73H114O38/c1-25-38(80)42(84)47(89)61(98-25)106-54-51(93)55(59(94)95)107-66(57(54)109-64-49(91)44(86)41(83)33(22-75)103-64)104-37-14-15-69(7)34(70(37,8)24-76)13-16-71(9)35(69)12-11-29-30-19-68(5,6)17-18-73(30,36(79)20-72(29,71)10)67(96)111-65-58(110-62-50(92)45(87)52(26(2)99-62)105-60-46(88)39(81)31(78)23-97-60)56(53(27(3)100-65)101-28(4)77)108-63-48(90)43(85)40(82)32(21-74)102-63/h11,24-27,30-58,60-66,74-75,78-93H,12-23H2,1-10H3,(H,94,95)",BDQOUIBLWSGNMU,UHFFFAOYSA,N,Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[xylosyl-(1->4)-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester,BDQOUIBLWSGNMU-UHFFFAOYSA-N
HMDB36960,468.396730908,C32H52O2,C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)=C2[C@H]1C,"InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h20-21,24-26H,10-19H2,1-9H3/t20-,21+,24?,25?,26?,29-,30+,31-,32-/m1/s1",IKRLOJLDFINHCU,QBXPSLMRSA,N,Urs-13(18)-en-3beta-yl acetate,IKRLOJLDFINHCU-QBXPSLMRSA-N
HMDB36961,488.350174646,C30H48O5,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC34C)C2C1(C)O)C(O)=O,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-20-26(4)12-11-21(32)25(2,3)23(26)19(31)16-28(20,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)",JPGOJQJBPLCRQP,UHFFFAOYSA,N,"(3beta,6alpha,19alpha)-3,6,19-Trihydroxy-12-ursen-28-oic acid",JPGOJQJBPLCRQP-UHFFFAOYSA-N
HMDB36962,456.360345402,C30H48O3,[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/s1",MIJYXULNPSFWEK,KDQGZELNSA,N,3-Epioleanolic acid,MIJYXULNPSFWEK-KDQGZELNSA-N
HMDB36963,750.455427576,C41H66O12,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(49)53-34-32(48)30(46)29(45)24(19-42)51-34)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-33-31(47)28(44)23(43)20-50-33/h8,22-34,42-48H,9-20H2,1-7H3",VXRNZMDDBZNPKJ,UHFFFAOYSA,N,28-Glucosyloleanolic acid 3-arabinoside,VXRNZMDDBZNPKJ-UHFFFAOYSA-N
HMDB36964,1204.624068622,C59H96O25,CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O,"InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3",NVSLBOBPSCMMSO,UHFFFAOYSA,N,Eleutheroside M,NVSLBOBPSCMMSO-UHFFFAOYSA-N
HMDB36965,1204.624068622,C59H96O25,CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(COC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C(O)C(O)C4O)C3(C)C)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C59H96O25/c1-24-34(61)38(65)43(70)50(77-24)80-30-23-76-49(42(69)37(30)64)82-33-13-14-56(7)31(55(33,5)6)12-15-58(9)32(56)11-10-26-27-20-54(3,4)16-18-59(27,19-17-57(26,58)8)53(74)84-52-45(72)40(67)36(63)29(81-52)22-75-48-46(73)41(68)47(28(21-60)79-48)83-51-44(71)39(66)35(62)25(2)78-51/h10,24-25,27-52,60-73H,11-23H2,1-9H3",HIFPOHSXFYSEJA,UHFFFAOYSA,N,Eleutheroside L,HIFPOHSXFYSEJA-UHFFFAOYSA-N
HMDB36966,632.428818896,C37H60O8,COC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CCC32C)C(=O)OC2OC(CO)C(O)C(O)C2O)C1(C)C,"InChI=1S/C37H60O8/c1-32(2)15-17-37(31(42)45-30-29(41)28(40)27(39)23(20-38)44-30)18-16-35(6)21(22(37)19-32)9-10-25-34(5)13-12-26(43-8)33(3,4)24(34)11-14-36(25,35)7/h9,22-30,38-41H,10-20H2,1-8H3",RMYQUHMJDCWPQR,UHFFFAOYSA,N,28-Glucopyranosyl-3-methyloleanolic acid,RMYQUHMJDCWPQR-UHFFFAOYSA-N
HMDB36967,694.590010984,C46H78O4,CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CCC32C)C(O)=O)C1(C)C,"InChI=1S/C46H78O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39(47)50-38-26-27-43(6)36(42(38,4)5)25-28-45(8)37(43)24-23-34-35-33-41(2,3)29-31-46(35,40(48)49)32-30-44(34,45)7/h23,35-38H,9-22,24-33H2,1-8H3,(H,48,49)",WAESUNHGNAUFBW,UHFFFAOYSA,N,3-Hexadecanoyloleanolic acid,WAESUNHGNAUFBW-UHFFFAOYSA-N
HMDB36968,944.49808025,C47H76O19,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H76O19/c1-42(2)13-14-47(41(60)66-40-35(58)33(56)31(54)25(18-49)63-40)22(15-42)21-7-8-27-43(3)11-10-29(44(4,20-50)26(43)9-12-45(27,5)46(21,6)16-28(47)52)64-38-36(59)37(23(51)19-61-38)65-39-34(57)32(55)30(53)24(17-48)62-39/h7,22-40,48-59H,8-20H2,1-6H3",YDZLBSWZAGVYGM,UHFFFAOYSA,N,Araliasaponin II,YDZLBSWZAGVYGM-UHFFFAOYSA-N
HMDB36970,408.1572885,C24H24O6,COC1=C2OC(C)(C)CCC2=C2C(=O)C3=C(OC2=C1)C=C1OC(C)(C)C=CC1=C3O,"InChI=1S/C24H24O6/c1-23(2)8-6-12-14(29-23)10-16-19(20(12)25)21(26)18-13-7-9-24(3,4)30-22(13)17(27-5)11-15(18)28-16/h6,8,10-11,25H,7,9H2,1-5H3",KPEKAHVOTOEHJF,UHFFFAOYSA,N,Garcimangosone B,KPEKAHVOTOEHJF-UHFFFAOYSA-N
HMDB36971,568.428031036,C40H56O2,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C12OC1(C)CCCC2(C)C,"InChI=1S/C40H56O2/c1-30(18-13-20-32(3)22-23-36-34(5)28-35(41)29-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-27-40-38(8,9)25-15-26-39(40,10)42-40/h11-14,16-24,27,35,41H,15,25-26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,23-22+,27-24+,30-16+,31-17+,32-20+,33-21+",LLQCIZOXARRMDO,YVLVXPTKSA,N,"5',6'-Epoxy-5',6'-dihydro-beta,beta-caroten-3-ol",LLQCIZOXARRMDO-YVLVXPTKSA-N
HMDB36972,594.449554338,C35H62O7,CCCCC(O)C(O)C\C=C/CCC(O)C1CCC(CCCCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H62O7/c1-3-4-20-31(37)32(38)21-16-13-17-22-33(39)34-24-23-30(42-34)19-15-12-10-8-6-5-7-9-11-14-18-29(36)26-28-25-27(2)41-35(28)40/h13,16,25,27,29-34,36-39H,3-12,14-15,17-24,26H2,1-2H3/b16-13-",DMJPRIIHIZGOBN,SSZFMOIBSA,N,Muricin F,DMJPRIIHIZGOBN-SSZFMOIBSA-N
HMDB36973,594.449554338,C35H62O7,CCCCCCCC\C=C/CCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h10-11,25,27,29-34,36-39H,3-9,12-24,26H2,1-2H3/b11-10-",CYINDKRPEUGVGU,KHPPLWFESA,N,Muricin G,CYINDKRPEUGVGU-KHPPLWFESA-N
HMDB36974,568.433904274,C33H60O7,CCCCCCCC(O)C(O)CCCCCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C33H60O7/c1-3-4-5-7-13-18-29(35)30(36)19-14-10-15-20-31(37)32-22-21-28(40-32)17-12-9-6-8-11-16-27(34)24-26-23-25(2)39-33(26)38/h23,25,27-32,34-37H,3-22,24H2,1-2H3",ZJOXRHQHOYSIEO,UHFFFAOYSA,N,Muricin E,ZJOXRHQHOYSIEO-UHFFFAOYSA-N
HMDB36975,568.433904274,C33H60O7,CCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C33H60O7/c1-3-4-5-10-15-18-29(35)30(36)20-21-31(37)32-22-19-28(40-32)17-14-12-9-7-6-8-11-13-16-27(34)24-26-23-25(2)39-33(26)38/h23,25,27-32,34-37H,3-22,24H2,1-2H3",WYLPUBYVBIPLKH,UHFFFAOYSA,N,Muricin D,WYLPUBYVBIPLKH-UHFFFAOYSA-N
HMDB36976,596.465204402,C35H64O7,CCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H64O7/c1-3-4-5-12-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-14-11-9-7-6-8-10-13-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3",PSEVENSSBONHMB,UHFFFAOYSA,N,Muricin C,PSEVENSSBONHMB-UHFFFAOYSA-N
HMDB36977,596.465204402,C35H64O7,CCCCCC(O)C(O)CCCCCCC(O)C1CCC(CCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H64O7/c1-3-4-13-20-31(37)32(38)21-16-11-12-17-22-33(39)34-24-23-30(42-34)19-15-10-8-6-5-7-9-14-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3",HHCQNIINSIODRY,UHFFFAOYSA,N,Muricin A,HHCQNIINSIODRY-UHFFFAOYSA-N
HMDB36978,694.21089979,C32H38O17,COC1=CC(=CC=C1O)C1C(C2C1C(=O)OCC1(OC3OC(CO)C(O)C(O)C3O)OC(CO)C(OC2=O)C1O)C1=CC(OC)=C(O)C=C1,"InChI=1S/C32H38O17/c1-43-16-7-12(3-5-14(16)35)20-21(13-4-6-15(36)17(8-13)44-2)23-22(20)29(41)45-11-32(28(40)27(47-30(23)42)19(10-34)48-32)49-31-26(39)25(38)24(37)18(9-33)46-31/h3-8,18-28,31,33-40H,9-11H2,1-2H3",TVWBWDIJOLFFCK,UHFFFAOYSA,N,"Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate)",TVWBWDIJOLFFCK-UHFFFAOYSA-N
HMDB36979,280.167459256,C16H24O4,COC12CC3CCCC(C)C3(C)C(O)C1=C(C)C(=O)O2,"InChI=1S/C16H24O4/c1-9-6-5-7-11-8-16(19-4)12(10(2)14(18)20-16)13(17)15(9,11)3/h9,11,13,17H,5-8H2,1-4H3",UTOHVMLCPJSXEB,UHFFFAOYSA,N,"6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide",UTOHVMLCPJSXEB-UHFFFAOYSA-N
HMDB36981,456.178417872,C25H28O8,COC(=O)C1=C(OC2=C(OC)C(=O)C(CC=C(C)C)=C(CC=C(C)C)C2=O)C=C(O)C=C1O,"InChI=1S/C25H28O8/c1-13(2)7-9-16-17(10-8-14(3)4)22(29)24(23(31-5)21(16)28)33-19-12-15(26)11-18(27)20(19)25(30)32-6/h7-8,11-12,26-27H,9-10H2,1-6H3",AATISISCRVORPT,UHFFFAOYSA,N,Atrovirinone,AATISISCRVORPT-UHFFFAOYSA-N
HMDB36982,426.167853186,C24H26O7,COC1=C(O)C(CC=C(C)C)=C(CC=C(C)C)C2=C1OC1=CC(O)=CC(O)=C1C(=O)O2,"InChI=1S/C24H26O7/c1-12(2)6-8-15-16(9-7-13(3)4)21-23(22(29-5)20(15)27)30-18-11-14(25)10-17(26)19(18)24(28)31-21/h6-7,10-11,25-27H,8-9H2,1-5H3",KGIATYCAIYWYED,UHFFFAOYSA,N,Atrovirisidone,KGIATYCAIYWYED-UHFFFAOYSA-N
HMDB36983,460.188588628,C28H28O6,CC(C)=CCC1=C2OC(C)(C)C=CC2=C(O)C2=C1C(=O)C1=C(O2)C=C2OC(C)(C)C=CC2=C1O,"InChI=1S/C28H28O6/c1-14(2)7-8-16-20-24(31)21-19(13-18-15(22(21)29)9-11-27(3,4)33-18)32-26(20)23(30)17-10-12-28(5,6)34-25(16)17/h7,9-13,29-30H,8H2,1-6H3",SSITWAPGVBPANU,UHFFFAOYSA,N,Garcimangosone A,SSITWAPGVBPANU-UHFFFAOYSA-N
HMDB36984,412.152203122,C23H24O7,CC(C)=CCC1=C(O)C2=C(OC3=C(C2=O)C2=C(OC(C)(C)C(O)C2)C=C3O)C=C1O,"InChI=1S/C23H24O7/c1-10(2)5-6-11-13(24)8-16-19(20(11)27)21(28)18-12-7-17(26)23(3,4)30-15(12)9-14(25)22(18)29-16/h5,8-9,17,24-27H,6-7H2,1-4H3",VPNBQMUAQMFCCW,UHFFFAOYSA,N,Garcimangosone C,VPNBQMUAQMFCCW-UHFFFAOYSA-N
HMDB36985,1392.65615661,C66H104O31,CCC(C)C(=O)OC1C(C)OC(OC(=O)C23CCC(C)(CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C2(C)CC3)C(=O)OC)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C66H104O31/c1-11-26(2)53(83)92-47-28(4)88-58(51(96-54-44(78)39(73)36(70)27(3)87-54)50(47)95-56-46(80)41(75)38(72)32(24-68)90-56)97-60(85)66-20-18-61(5,59(84)86-10)22-30(66)29-12-13-34-62(6)16-15-35(63(7,25-69)33(62)14-17-65(34,9)64(29,8)19-21-66)91-57-49(43(77)42(76)48(93-57)52(81)82)94-55-45(79)40(74)37(71)31(23-67)89-55/h12,26-28,30-51,54-58,67-80H,11,13-25H2,1-10H3,(H,81,82)",BMXDKWQTQUHZDL,UHFFFAOYSA,N,"28-[Rhamnosyl-(1->2)-[b-D-glucosyl-(1->3)]-[2R-methylbutanoyl-(->4)]-fucosyl]-30-methyl-3b,23-dihydroxy-12-oleanene-28,30-dioate 3-[galactosyl-(1->2)-glucuronide]",BMXDKWQTQUHZDL-UHFFFAOYSA-N
HMDB36986,508.082151,C18H24N2O11S2,CON1C=C(C\C(SC2OC(CO)C(O)C(O)C2O)=N/OS(O)(=O)=O)C2=C1C=CC=C2OC,"InChI=1S/C18H24N2O11S2/c1-28-11-5-3-4-10-14(11)9(7-20(10)29-2)6-13(19-31-33(25,26)27)32-18-17(24)16(23)15(22)12(8-21)30-18/h3-5,7,12,15-18,21-24H,6,8H2,1-2H3,(H,25,26,27)/b19-13+",OTCXWQPXFQXGTP,CPNJWEJPSA,N,"1,4-Dimethoxyglucobrassicin",OTCXWQPXFQXGTP-CPNJWEJPSA-N
HMDB36987,325.131408101,C19H19NO4,COC(=O)N1CCC2=CC(O)=C(OC)C3=C2C1CC1=C3C=CC=C1,"InChI=1S/C19H19NO4/c1-23-18-15(21)10-12-7-8-20(19(22)24-2)14-9-11-5-3-4-6-13(11)17(18)16(12)14/h3-6,10,14,21H,7-9H2,1-2H3",WMSBEBIDBZELHC,UHFFFAOYSA,N,Romucosine A,WMSBEBIDBZELHC-UHFFFAOYSA-N
HMDB36988,339.147058165,C20H21NO4,COC(=O)N1CCC2=CC(OC)=C(OC)C3=C2C1CC1=C3C=CC=C1,"InChI=1S/C20H21NO4/c1-23-16-11-13-8-9-21(20(22)25-3)15-10-12-6-4-5-7-14(12)18(17(13)15)19(16)24-2/h4-7,11,15H,8-10H2,1-3H3",NZPPZYPCWOGFIQ,UHFFFAOYSA,N,N-Methoxycarbonyl-N-nornuciferine,NZPPZYPCWOGFIQ-UHFFFAOYSA-N
HMDB36989,359.092435776,C19H18ClNO4,COC(=O)N1CCC2=C(Cl)C(O)=C(OC)C3=C2C1CC1=C3C=CC=C1,"InChI=1S/C19H18ClNO4/c1-24-18-15-11-6-4-3-5-10(11)9-13-14(15)12(16(20)17(18)22)7-8-21(13)19(23)25-2/h3-6,13,22H,7-9H2,1-2H3",FFSNCZHOAOMPLR,UHFFFAOYSA,N,Romucosine B,FFSNCZHOAOMPLR-UHFFFAOYSA-N
HMDB36990,170.13067982,C10H18O2,CC(C)(O)\C=C\CC(C)(O)C=C,"InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+",QEOHJVNDENHRCH,VOTSOKGWSA,N,"2,6-Dimethyl-3,7-octadiene-2,6-diol",QEOHJVNDENHRCH-VOTSOKGWSA-N
HMDB36991,154.135765198,C10H18O,CC(C)(O)C1CCC(=C)CC1,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h9,11H,1,4-7H2,2-3H3",SQIFACVGCPWBQZ,UHFFFAOYSA,N,delta-Terpineol,SQIFACVGCPWBQZ-UHFFFAOYSA-N
HMDB36992,170.13067982,C10H18O2,CC1CCC(O)(CC1O)C1CC1,"InChI=1S/C10H18O2/c1-7-4-5-10(12,6-9(7)11)8-2-3-8/h7-9,11-12H,2-6H2,1H3",NTSNDVXMQVLQPO,UHFFFAOYSA,N,"1-Cyclopropyl-4-methyl-1,3-cyclohexanediol",NTSNDVXMQVLQPO-UHFFFAOYSA-N
HMDB36993,154.1357652,C10H18O,CC(C)=C1CCC(C)(O)CC1,"InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3",NNRLDGQZIVUQTE,UHFFFAOYSA,N,gamma-Terpineol,NNRLDGQZIVUQTE-UHFFFAOYSA-N
HMDB36994,136.125200515,C10H16,CC(C)=C1CCC(C)=CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",MOYAFQVGZZPNRA,UHFFFAOYSA,N,Terpinolene,MOYAFQVGZZPNRA-UHFFFAOYSA-N
HMDB36995,136.125200515,C10H16,CC(C)C1=CC=C(C)CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3",YHQGMYUVUMAZJR,UHFFFAOYSA,N,alpha-Terpinene,YHQGMYUVUMAZJR-UHFFFAOYSA-N
HMDB36996,154.135765198,C10H18O,CC(=C)C1CCC(C)(O)CC1,"InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3",RUJPNZNXGCHGID,UHFFFAOYSA,N,beta-Terpineol,RUJPNZNXGCHGID-UHFFFAOYSA-N
HMDB36997,136.125200512,C10H16,CC(C)C1=CCC(=C)CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h6,8H,3-5,7H2,1-2H3",SCWPFSIZUZUCCE,UHFFFAOYSA,N,beta-Terpinene,SCWPFSIZUZUCCE-UHFFFAOYSA-N
HMDB36998,184.109944378,C10H16O3,CC(C)(O)C1CCC(=CC1)C(O)=O,"InChI=1S/C10H16O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3,8,13H,4-6H2,1-2H3,(H,11,12)",BFYWJELXORKNFO,UHFFFAOYSA,N,(S)-Oleuropeic acid,BFYWJELXORKNFO-UHFFFAOYSA-N
HMDB36999,150.10446507,C10H14O,CC(C)=C1CCC(C)=CC1=O,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3",HKZQJZIFODOLFR,UHFFFAOYSA,N,Piperitenone,HKZQJZIFODOLFR-UHFFFAOYSA-N
HMDB37000,218.167065326,C15H22O,CC(CC(=O)C=C(C)C)C1CC=C(C)C=C1,"InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-7,9,13-14H,8,10H2,1-4H3",XOCANRBEOZQNAQ,UHFFFAOYSA,N,alpha-Turmerone,XOCANRBEOZQNAQ-UHFFFAOYSA-N
HMDB37001,140.120115134,C9H16O,CC1C2CCC(C2)C1(C)O,"InChI=1S/C9H16O/c1-6-7-3-4-8(5-7)9(6,2)10/h6-8,10H,3-5H2,1-2H3",DXAQHKPBQZSMSM,UHFFFAOYSA,N,Santene hydrate,DXAQHKPBQZSMSM-UHFFFAOYSA-N
HMDB37002,508.230847372,C26H36O10,CC12CC(=O)C3=C(C=CO3)C1CCC13CC(CC(OC4OC(CO)C(O)C(O)C4O)C21)C(O)(CO)C3,"InChI=1S/C26H36O10/c1-24-8-15(29)21-13(3-5-34-21)14(24)2-4-25-7-12(26(33,10-25)11-28)6-16(22(24)25)35-23-20(32)19(31)18(30)17(9-27)36-23/h3,5,12,14,16-20,22-23,27-28,30-33H,2,4,6-11H2,1H3",FNIBRRHOZLASGI,UHFFFAOYSA,N,Mozambioside,FNIBRRHOZLASGI-UHFFFAOYSA-N
HMDB37003,508.230847372,C26H36O10,OCC1OC(OCC2(O)CC34CC2CCC3C2(CO)CC(=O)C3=C(C=CO3)C2CC4)C(O)C(O)C1O,"InChI=1S/C26H36O10/c27-9-17-19(30)20(31)21(32)23(36-17)35-12-26(33)10-24-5-3-15-14-4-6-34-22(14)16(29)8-25(15,11-28)18(24)2-1-13(26)7-24/h4,6,13,15,17-21,23,27-28,30-33H,1-3,5,7-12H2",TXMUQQBIIGAMBQ,UHFFFAOYSA,N,Cafamarine,TXMUQQBIIGAMBQ-UHFFFAOYSA-N
HMDB37004,348.1572885,C19H24O6,CC12CCCC3(OC1=O)C1CC(O)C4(O)CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)11(20)6-10(17)19-5-3-4-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",BQOOPWCLYXZXSL,UHFFFAOYSA,N,Gibberellin A77,BQOOPWCLYXZXSL-UHFFFAOYSA-N
HMDB37005,266.151809192,C15H22O4,CC1C2CCC(=C)C3CCC(C)(O3)C(O)C2OC1=O,"InChI=1S/C15H22O4/c1-8-4-5-10-9(2)14(17)18-12(10)13(16)15(3)7-6-11(8)19-15/h9-13,16H,1,4-7H2,2-3H3",XJRRUWSFQFWDFM,UHFFFAOYSA,N,"(1alpha,4alpha,5beta,6alpha,11betaH)-1,4-Epoxy-5-hydroxy-10(14)-germacren-12,6-olide",XJRRUWSFQFWDFM-UHFFFAOYSA-N
HMDB37006,154.1357652,C10H18O,CC(=C)C1CCC(CO)CC1,"InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h9-11H,1,3-7H2,2H3",GMYHXOPIKMGWOM,UHFFFAOYSA,N,cis-Isopulegone,GMYHXOPIKMGWOM-UHFFFAOYSA-N
HMDB37007,154.135765198,C10H18O,CC(CO)C1CCC(C)=CC1,"InChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3",ZTYHGIAOVUPAAH,UHFFFAOYSA,N,p-Menth-1-en-9-ol,ZTYHGIAOVUPAAH-UHFFFAOYSA-N
HMDB37008,152.120115134,C10H16O,CC1C=CC2CC1OC2(C)C,"InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4-5,7-9H,6H2,1-3H3",OVUFWOJDFGZYRB,UHFFFAOYSA,N,"6,8-Epoxy-p-menth-2-ene",OVUFWOJDFGZYRB-UHFFFAOYSA-N
HMDB37009,152.120115134,C10H16O,CC1=CCC2(CC1)OC2(C)C,"InChI=1S/C10H16O/c1-8-4-6-10(7-5-8)9(2,3)11-10/h4H,5-7H2,1-3H3",RTLTXXDTPFWZLO,UHFFFAOYSA,N,Terpinolene oxide,RTLTXXDTPFWZLO-UHFFFAOYSA-N
HMDB37010,152.120115134,C10H16O,CC(=C)C1CCC(=C)C(O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h9-11H,1,3-6H2,2H3",PNVTXOFNJFHXOK,UHFFFAOYSA,N,"(2S,4R)-p-Mentha-1(7),8-dien-2-ol",PNVTXOFNJFHXOK-UHFFFAOYSA-N
HMDB37011,166.099379692,C10H14O2,CC(=C)C1CC(=O)C(C)=CC1O,"InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,8,10,12H,1,5H2,2-3H3",IQBZOAYOGMNFPL,UHFFFAOYSA,N,"5-Hydroxy-p-mentha-6,8-dien-2-one",IQBZOAYOGMNFPL-UHFFFAOYSA-N
HMDB37012,166.099379692,C10H14O2,CC(=C)C1CC(O)=C(C)C(=O)C1,"InChI=1S/C10H14O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h8,11H,1,4-5H2,2-3H3",XPEAPCMHDFIXFL,UHFFFAOYSA,N,"2-Hydroxy-p-mentha-1,8-dien-6-one",XPEAPCMHDFIXFL-UHFFFAOYSA-N
HMDB37013,134.109550448,C10H14,CC(=C)C1=CC=C(C)CC1,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3",XNMPFDIYAMOYRM,UHFFFAOYSA,N,"p-Mentha-1,3,8-triene",XNMPFDIYAMOYRM-UHFFFAOYSA-N
HMDB37014,168.115029756,C10H16O2,CC(C)C1=C(O)C(=O)C(C)CC1,"InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-7,12H,4-5H2,1-3H3",POVACFJTDXZOQT,UHFFFAOYSA,N,gamma-Diosphenol,POVACFJTDXZOQT-UHFFFAOYSA-N
HMDB37015,152.120115134,C10H16O,CC(=C)C1(O)CCC(C)=CC1,"InChI=1S/C10H16O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,11H,1,5-7H2,2-3H3",OVKDFILSBMEKLT,UHFFFAOYSA,N,"p-Mentha-1,8-dien-4-ol",OVKDFILSBMEKLT-UHFFFAOYSA-N
HMDB37016,154.135765198,C10H18O,CC(C)C1CC=C(C)CC1O,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h4,7,9-11H,5-6H2,1-3H3",UDQXLNRIDGDFAR,UHFFFAOYSA,N,p-Menth-1-en-5-ol,UDQXLNRIDGDFAR-UHFFFAOYSA-N
HMDB37017,152.120115135,C10H16O,CC1=CCC(CC1)C(=C)CO,"InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3",UIMAEYMKYMNCGW,UHFFFAOYSA,N,"(R)-p-Mentha-1,8-dien-10-ol",UIMAEYMKYMNCGW-UHFFFAOYSA-N
HMDB37018,194.13067982,C12H18O2,CC(=O)OCC(=C)C1CCC(C)=CC1,"InChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,12H,2,5-8H2,1,3H3",BCTDJPZNMXPMIA,UHFFFAOYSA,N,"(S)-p-Mentha-1,8-dien-10-yl acetate",BCTDJPZNMXPMIA-UHFFFAOYSA-N
HMDB37019,154.135765198,C10H18O,CC1CCC2CC1OC2(C)C,"InChI=1S/C10H18O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3",MGRKVRJGCZXQGW,UHFFFAOYSA,N,"6,8-Epoxy-p-menthane",MGRKVRJGCZXQGW-UHFFFAOYSA-N
HMDB37020,156.151415262,C10H20O,CC(C)C1CCC(C)(O)CC1,"InChI=1S/C10H20O/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9,11H,4-7H2,1-3H3",CMLYGGFIXXLYQT,UHFFFAOYSA,N,p-Menthan-1-ol,CMLYGGFIXXLYQT-UHFFFAOYSA-N
HMDB37021,170.13067982,C10H18O2,CC(C)C1(O)CCC(C)(O)C=C1,"InChI=1S/C10H18O2/c1-8(2)10(12)6-4-9(3,11)5-7-10/h4,6,8,11-12H,5,7H2,1-3H3",WHOYVNZMAORLBI,UHFFFAOYSA,N,"trans-p-Menth-2-ene-1,4-diol",WHOYVNZMAORLBI-UHFFFAOYSA-N
HMDB37022,248.141244506,C15H20O3,CC1C2CCC(C)C3C(C2OC1=O)C(C)=CC3=O,"InChI=1S/C15H20O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6-7,9-10,12-14H,4-5H2,1-3H3",FJKWKEZAHVWIOR,UHFFFAOYSA,N,Cichoralexin,FJKWKEZAHVWIOR-UHFFFAOYSA-N
HMDB37023,156.115029756,C9H16O2,CC1(C)CCCC(C)(O)C1=O,"InChI=1S/C9H16O2/c1-8(2)5-4-6-9(3,11)7(8)10/h11H,4-6H2,1-3H3",FWCGLHYHGUHPRY,UHFFFAOYSA,N,"2-Hydroxy-2,6,6-trimethylcyclohexanone",FWCGLHYHGUHPRY-UHFFFAOYSA-N
HMDB37024,152.120115134,C10H16O,CC(=O)C1(C)CCC(C)=CC1,"InChI=1S/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3",BIUSXTISNNLMOR,UHFFFAOYSA,N,"4-Acetyl-1,4-dimethyl-1-cyclohexene",BIUSXTISNNLMOR-UHFFFAOYSA-N
HMDB37025,152.120115134,C10H16O,CC1(C)OCC2C1CCC2=C,"InChI=1S/C10H16O/c1-7-4-5-9-8(7)6-11-10(9,2)3/h8-9H,1,4-6H2,2-3H3",PSYUARCNIZCTFI,UHFFFAOYSA,N,Hop ether,PSYUARCNIZCTFI-UHFFFAOYSA-N
HMDB37026,126.068079564,C7H10O2,CC1CC(=O)C(=O)C1C,"InChI=1S/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4-5H,3H2,1-2H3",WGAVDEVFJDQIMZ,UHFFFAOYSA,N,"3,4-Dimethyl-1,2-cyclopentanedione",WGAVDEVFJDQIMZ-UHFFFAOYSA-N
HMDB37027,126.068079564,C7H10O2,CC1CC(C)C(=O)C1=O,"InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3",MIDXCONKKJTLDX,UHFFFAOYSA,N,"3,5-Dimethyl-1,2-cyclopentanedione",MIDXCONKKJTLDX-UHFFFAOYSA-N
HMDB37028,360.142032366,C16H24O9,CC1CCC2C1C(OC1OC(CO)C(O)C(O)C1O)OC=C2C(O)=O,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)",DSXFHNSGLYXPNG,UHFFFAOYSA,N,Deoxyloganic acid,DSXFHNSGLYXPNG-UHFFFAOYSA-N
HMDB37029,204.187800768,C15H24,CC(C)C1CC=C(C)C2CCC(=C)CC12,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,10,13-15H,3,5,7-9H2,1-2,4H3",COEMCKKNQLRLNH,UHFFFAOYSA,N,gamma1-Cadinene,COEMCKKNQLRLNH-UHFFFAOYSA-N
HMDB37030,204.187800768,C15H24,CC(C)C1CCC(C)C2CCC(=C)C=C12,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3",RNDFUOKDULDZPR,UHFFFAOYSA,N,1-Epi-bicyclosesquiphellandrene,RNDFUOKDULDZPR-UHFFFAOYSA-N
HMDB37031,222.198365454,C15H26O,CC(C)C1CCC(C)C2(O)CCC(C)=CC12,"InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3",COGPRPSWSKLKTF,UHFFFAOYSA,N,Epicubenol,COGPRPSWSKLKTF-UHFFFAOYSA-N
HMDB37032,426.386166222,C30H50O,[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@@H](C)CCC=C(C)C,"InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25-,26-,28+,29-,30+/m0/s1",CAHGCLMLTWQZNJ,HGKXYCPESA,N,Tirucallol,CAHGCLMLTWQZNJ-HGKXYCPESA-N
HMDB37033,440.36543078,C30H48O2,CC1(C)CCC2(CO)CC=C3C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CCC3(C)C2C1,"InChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23,31H,8-9,11-19H2,1-7H3",YZWJBLKYECYVAO,UHFFFAOYSA,N,28-Hydroxy-14-taraxeren-3-one,YZWJBLKYECYVAO-UHFFFAOYSA-N
HMDB37034,620.428818896,C36H60O8,CC(CC(O)C=C(C)C)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C,"InChI=1S/C36H60O8/c1-19(2)15-21(38)16-20(3)22-11-12-36(8)31-25(43-32-30(42)29(41)28(40)26(18-37)44-32)17-24-23(9-10-27(39)33(24,4)5)34(31,6)13-14-35(22,36)7/h15,17,20-23,25-32,37-42H,9-14,16,18H2,1-8H3",POYBZOIHJHDZFP,UHFFFAOYSA,N,"(3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-glucoside",POYBZOIHJHDZFP-UHFFFAOYSA-N
HMDB37035,558.282882942,C31H42O9,O[C@@H](C[C@@H](C)[C@]1(C)CC=C2C(C(=O)O)=C(C[C@@H](OC(=O)C)[C@@]12C)C[C@]12CC[C@H](O1)C(C)(C)C2=O)\C=C(/C)C(O)=O,"InChI=1S/C31H42O9/c1-16(25(34)35)12-20(33)13-17(2)29(6)10-8-21-24(26(36)37)19(14-23(30(21,29)7)39-18(3)32)15-31-11-9-22(40-31)28(4,5)27(31)38/h8,12,17,20,22-23,33H,9-11,13-15H2,1-7H3,(H,34,35)(H,36,37)/b16-12+/t17-,20-,22+,23-,29+,30+,31+/m1/s1",RMMQUGYNWLQNHP,YELRAYEVSA,N,Glycinoeclepin B,RMMQUGYNWLQNHP-YELRAYEVSA-N
HMDB37036,514.256668192,C29H38O8,C[C@@H]1C[C@H](OC2C=C3C(C(O)=O)=C(C[C@]45CC[C@H](O4)C(C)(C)C5=O)C[C@@H](O)[C@@]3(C)[C@]12C)\C=C(/C)C(O)=O,"InChI=1S/C29H38O8/c1-14(23(31)32)9-17-10-15(2)27(5)21(36-17)12-18-22(24(33)34)16(11-19(30)28(18,27)6)13-29-8-7-20(37-29)26(3,4)25(29)35/h9,12,15,17,19-21,30H,7-8,10-11,13H2,1-6H3,(H,31,32)(H,33,34)/b14-9+/t15-,17-,19-,20+,21?,27-,28+,29+/m1/s1",QEICCHKVLICFMW,ZTXCTZRESA,N,Glycinoeclepin C,QEICCHKVLICFMW-ZTXCTZRESA-N
HMDB37037,446.230453442,C25H34O7,C[C@H](CC(O)=O)[C@]1(C)CC=C2C(C(O)=O)=C(C[C@]34CC[C@H](O3)C(C)(C)C4=O)C[C@@H](O)[C@@]12C,"InChI=1S/C25H34O7/c1-13(10-18(27)28)23(4)8-6-15-19(20(29)30)14(11-16(26)24(15,23)5)12-25-9-7-17(32-25)22(2,3)21(25)31/h6,13,16-17,26H,7-12H2,1-5H3,(H,27,28)(H,29,30)/t13-,16-,17+,23+,24+,25+/m1/s1",XOLYVYHBERHQBZ,FMNVCWJRSA,N,Glycinoeclepin A,XOLYVYHBERHQBZ-FMNVCWJRSA-N
HMDB37038,234.161979948,C15H22O2,CC(=C)C1CCC2(C1)C1COC2(C)CC(=O)C1,"InChI=1S/C15H22O2/c1-10(2)11-4-5-15(7-11)12-6-13(16)8-14(15,3)17-9-12/h11-12H,1,4-9H2,2-3H3",YHIWYGHFGRMQMO,UHFFFAOYSA,N,Cyclodehydroisolubimin,YHIWYGHFGRMQMO-UHFFFAOYSA-N
HMDB37039,414.204238692,C24H30O6,COC12C(CC1(C)C1CC(C)(C)CC1C=C2C=O)OC(=O)C1=C(O)C=C(O)C=C1C,"InChI=1S/C24H30O6/c1-13-6-16(26)8-18(27)20(13)21(28)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)29-5/h6-8,12,14,17,19,26-27H,9-11H2,1-5H3",GYCBSZGIYPNYAB,UHFFFAOYSA,N,4-O-Methylmelleolide,GYCBSZGIYPNYAB-UHFFFAOYSA-N
HMDB37040,416.18350325,C23H28O7,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3CC(C)(C)CC3C=C(C(O)=O)C12O,"InChI=1S/C23H28O7/c1-11-5-13(24)7-16(25)18(11)20(28)30-17-10-22(4)15-9-21(2,3)8-12(15)6-14(19(26)27)23(17,22)29/h5-7,12,15,17,24-25,29H,8-10H2,1-4H3,(H,26,27)",AOCKXACXCVTXBB,UHFFFAOYSA,N,Armillaric acid,AOCKXACXCVTXBB-UHFFFAOYSA-N
HMDB37041,448.209718,C24H32O8,COC1=CC(O)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(CO)C23O)C(C)=C1,"InChI=1S/C24H32O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,16,18-19,25-27,29-30H,9-11H2,1-5H3",XXMVVKDVYBWXPQ,UHFFFAOYSA,N,Melleolide C,XXMVVKDVYBWXPQ-UHFFFAOYSA-N
HMDB37042,482.170745675,C24H31ClO8,COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(CO)C23O)C(O)=C1,"InChI=1S/C24H31ClO8/c1-11-16(13(27)6-14(32-5)17(11)25)20(29)33-15-8-22(4)18-19(28)21(2,3)10-23(18,30)7-12(9-26)24(15,22)31/h6-7,15,18-19,26-28,30-31H,8-10H2,1-5H3",PSCSRVBGZZBKIW,UHFFFAOYSA,N,Melleolide D,PSCSRVBGZZBKIW-UHFFFAOYSA-N
HMDB37043,466.139445547,C23H27ClO8,CC1=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(O)=CC(O)=C1Cl,"InChI=1S/C23H27ClO8/c1-10-15(12(26)5-13(27)16(10)24)19(29)32-14-7-21(4)17-18(28)20(2,3)9-22(17,30)6-11(8-25)23(14,21)31/h5-6,8,14,17-18,26-28,30-31H,7,9H2,1-4H3",HAJBXIZSTZMKOC,UHFFFAOYSA,N,Melledonal B,HAJBXIZSTZMKOC-UHFFFAOYSA-N
HMDB37044,166.099379692,C10H14O2,CC(C)=C1CCC2(C)OC2C1=O,"InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3",AKASWINDKIEEBO,UHFFFAOYSA,N,Rotundifolone,AKASWINDKIEEBO-UHFFFAOYSA-N
HMDB37045,712.47028978,C46H64O6,CCCCCC(=O)OC\C(=C\C=C/C(/C)=C\C=C\C=C(/C)\C=C/C=C(\C)C(=O)CC1(O)C(C)CC(=O)CC1(C)C)C#CC1=C(C)CC(O)CC1(C)C,"InChI=1S/C46H64O6/c1-11-12-13-24-43(50)52-32-38(25-26-41-36(5)27-39(47)29-44(41,7)8)23-17-21-34(3)19-15-14-18-33(2)20-16-22-35(4)42(49)31-46(51)37(6)28-40(48)30-45(46,9)10/h14-23,37,39,47,51H,11-13,24,27-32H2,1-10H3/b15-14+,20-16-,21-17-,33-18+,34-19-,35-22+,38-23+",LIBOJHYHDLWKKI,ZOKYUFNTSA,N,19'-Hexanoyloxymytiloxanthin,LIBOJHYHDLWKKI-ZOKYUFNTSA-N
HMDB37046,136.125200512,C10H16,CC(C)=C1CCCC(C)=C1,"InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h7H,4-6H2,1-3H3",BXZMJUJBUSHRMV,UHFFFAOYSA,N,Sylveterpinolene,BXZMJUJBUSHRMV-UHFFFAOYSA-N
HMDB37047,154.135765198,C10H18O,CC(=C)C1CCCC(C)(O)C1,"InChI=1S/C10H18O/c1-8(2)9-5-4-6-10(3,11)7-9/h9,11H,1,4-7H2,2-3H3",VGPLDSHNPDDKNO,UHFFFAOYSA,N,(-)-trans-m-Menth-8-en-1-ol,VGPLDSHNPDDKNO-UHFFFAOYSA-N
HMDB37048,154.135765198,C10H18O,CC1=CC(CCC1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-5-4-6-9(7-8)10(2,3)11/h7,9,11H,4-6H2,1-3H3",WXGGKAIQYISKCW,UHFFFAOYSA,N,m-Menth-1-en-8-ol,WXGGKAIQYISKCW-UHFFFAOYSA-N
HMDB37049,154.135765198,C10H18O,CC1=CCCC(C1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-5-4-6-9(7-8)10(2,3)11/h5,9,11H,4,6-7H2,1-3H3",KIFOHQUNUIDIGN,UHFFFAOYSA,N,(R)-m-Menth-1(6)-en-8-ol,KIFOHQUNUIDIGN-UHFFFAOYSA-N
HMDB37050,134.109550448,C10H14,CC(C)C1=CC=CC=C1C,"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",WWRCMNKATXZARA,UHFFFAOYSA,N,1-Isopropyl-2-methylbenzene,WWRCMNKATXZARA-UHFFFAOYSA-N
HMDB37051,134.109550448,C10H14,CC(C)C1=CC=CC(C)=C1,"InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3",XCYJPXQACVEIOS,UHFFFAOYSA,N,1-Isopropyl-3-methylbenzene,XCYJPXQACVEIOS-UHFFFAOYSA-N
HMDB37052,858.233091794,C39H42N2O20,COC1=C([O-])C=CC(\C=C\C(=O)OCC2(O)COC(OC3C(O)C(O)C(CO)OC3OC3=C(O)C=C4C(CC(C(O)=O)\[N+]4=C\C=C4/CC(NC(=C4)C(O)=O)C(O)=O)=C3)C2O)=C1,"InChI=1S/C39H42N2O20/c1-56-26-10-17(2-4-24(26)43)3-5-29(45)57-15-39(55)16-58-38(33(39)48)61-32-31(47)30(46)28(14-42)60-37(32)59-27-12-19-11-23(36(53)54)41(22(19)13-25(27)44)7-6-18-8-20(34(49)50)40-21(9-18)35(51)52/h2-8,10,12-13,21,23,28,30-33,37-38,42,46-48,55H,9,11,14-16H2,1H3,(H5,43,44,45,49,50,51,52,53,54)",KNQKLMDWXLOVGM,UHFFFAOYSA,N,Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside],KNQKLMDWXLOVGM-UHFFFAOYSA-N
HMDB37053,426.386166222,C30H50O,CC(C)C1CCC2(C)CCC3(C)C4CCC5(C)C(C)C(=O)CCC5C4(C)CCC3(C)C12,"InChI=1S/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19-21,23-25H,9-18H2,1-8H3",XMXDAZKCHXDKLX,UHFFFAOYSA,N,Cymbopogone,XMXDAZKCHXDKLX-UHFFFAOYSA-N
HMDB37054,454.344695338,C30H46O3,CC1(C)C2CCC3(C)C(CC=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1=O,"InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-22H,9-18H2,1-7H3,(H,32,33)",CGZZFWMLSVHLFZ,UHFFFAOYSA,N,Katononic acid,CGZZFWMLSVHLFZ-UHFFFAOYSA-N
HMDB37055,264.136159128,C15H20O4,CC1CCC(=O)C2CC3(O)OC(=O)C(C)=C3CC12C,"InChI=1S/C15H20O4/c1-8-4-5-12(16)11-7-15(18)10(6-14(8,11)3)9(2)13(17)19-15/h8,11,18H,4-7H2,1-3H3",HYBIDSYXKTYHCM,UHFFFAOYSA,N,Istanbulin A,HYBIDSYXKTYHCM-UHFFFAOYSA-N
HMDB37056,380.147117744,C19H24O8,[H][C@@]12O[C@]3([H])C=C(C)C(=O)C[C@]3(COC(C)=O)C(C)([C@H](OC(C)=O)[C@H]1O)C21CO1,"InChI=1S/C19H24O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,13-16,23H,6-8H2,1-4H3/t13-,14-,15-,16-,17?,18-,19?/m1/s1",FAQMCKSIBZGZIB,WGTJCWDGSA,N,8-Oxodiacetoxyscirpenol,FAQMCKSIBZGZIB-WGTJCWDGSA-N
HMDB37057,165.045963913,C5H11NO3S,CCS(=O)CC(N)C(O)=O,"InChI=1S/C5H11NO3S/c1-2-10(9)3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",CSZTZFUEOCFFJH,UHFFFAOYSA,N,Ethiin,CSZTZFUEOCFFJH-UHFFFAOYSA-N
HMDB37058,396.093089513,C16H17F5N2O2S,COC(=O)C1=C(N=C(C(C2=NCCS2)=C1CC(C)C)C(F)(F)F)C(F)F,"InChI=1S/C16H17F5N2O2S/c1-7(2)6-8-9(15(24)25-3)11(13(17)18)23-12(16(19,20)21)10(8)14-22-4-5-26-14/h7,13H,4-6H2,1-3H3",YIJZJEYQBAAWRJ,UHFFFAOYSA,N,Thiazopyr,YIJZJEYQBAAWRJ-UHFFFAOYSA-N
HMDB37059,266.151809192,C15H22O4,CC1(O)CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12,"InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3",LVABKRFKENTQBT,UHFFFAOYSA,N,1alpha-Hydroxyarbusculin A,LVABKRFKENTQBT-UHFFFAOYSA-N
HMDB37060,204.187800768,C15H24,CC(C)=C1CCC2(C)CCC=C(C)C2C1,"InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,14H,5,7-10H2,1-4H3",WNRBYZQFEBIUGD,UHFFFAOYSA,N,"3,7(11)-Eudesmadiene",WNRBYZQFEBIUGD-UHFFFAOYSA-N
HMDB37061,218.167065326,C15H22O,CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1,"InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3",KUFXJZXMWHNCEH,UHFFFAOYSA,N,"(+)-4,11-Eudesmadien-3-one",KUFXJZXMWHNCEH-UHFFFAOYSA-N
HMDB37062,366.204238692,C20H30O6,[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(CO)C(C)(C[C@H]1O)C21CO1)OC(=O)CC(C)C,"InChI=1S/C20H30O6/c1-11(2)5-16(23)25-14-8-19(9-21)15(6-12(14)3)26-17-13(22)7-18(19,4)20(17)10-24-20/h6,11,13-15,17,21-22H,5,7-10H2,1-4H3/t13-,14+,15-,17-,18?,19-,20?/m1/s1",RCFUVEKOPPKTBN,UBOCPNNGSA,N,Sporotrichiol,RCFUVEKOPPKTBN-UBOCPNNGSA-N
HMDB37063,252.172544634,C15H24O3,CC1(CC(O)C=C1CO)C1(C)CCC(C)(O)C=C1,"InChI=1S/C15H24O3/c1-13(4-6-14(2,18)7-5-13)15(3)9-12(17)8-11(15)10-16/h4,6,8,12,16-18H,5,7,9-10H2,1-3H3",CMCSZZOVEJFBEY,UHFFFAOYSA,N,Toxin FS2,CMCSZZOVEJFBEY-UHFFFAOYSA-N
HMDB37064,250.15689457,C15H22O3,CC1(CC(=O)C=C1CO)C1(C)CCC(C)(O)C=C1,"InChI=1S/C15H22O3/c1-13(4-6-14(2,18)7-5-13)15(3)9-12(17)8-11(15)10-16/h4,6,8,16,18H,5,7,9-10H2,1-3H3",MKMOUQVTTUPKSO,UHFFFAOYSA,N,FS4 toxin,MKMOUQVTTUPKSO-UHFFFAOYSA-N
HMDB37065,452.329045274,C30H44O3,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2=C1C)C(O)=O,"InChI=1S/C30H44O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18,21-22H,9-17H2,1-7H3,(H,32,33)",SHLWEZVZPAYIHX,UHFFFAOYSA,N,"3-Oxo-12,18-ursadien-28-oic acid",SHLWEZVZPAYIHX-UHFFFAOYSA-N
HMDB37066,222.198365454,C15H26O,CC1(C)CC2C1CCC1(C)CCCC2(O)C1,"InChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3",FUQAYSQLAOJBBC,UHFFFAOYSA,N,beta-Caryophyllene alcohol,FUQAYSQLAOJBBC-UHFFFAOYSA-N
HMDB37067,222.198365454,C15H26O,CC(CCC=C(C)C)C1CCC(C)(O)C=C1,"InChI=1S/C15H26O/c1-12(2)6-5-7-13(3)14-8-10-15(4,16)11-9-14/h6,8,10,13-14,16H,5,7,9,11H2,1-4H3",VVCHIOKYQRUBED,UHFFFAOYSA,N,Zingiberenol,VVCHIOKYQRUBED-UHFFFAOYSA-N
HMDB37068,218.167065326,C15H22O,CC(CC(=O)C=C(C)C)C1CCC(=C)C=C1,"InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-14H,3,6,8,10H2,1-2,4H3",JIJQKFPGBBEJNF,UHFFFAOYSA,N,Curlone,JIJQKFPGBBEJNF-UHFFFAOYSA-N
HMDB37069,220.18271539,C15H24O,CC(C)C1CC\C(C)=C/CC\C(C)=C/C1=O,"InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14H,5,7-9H2,1-4H3/b12-6-,13-10-",RESNWHKKMVJDFA,HVZNDUSUSA,N,Acoragermacrone,RESNWHKKMVJDFA-HVZNDUSUSA-N
HMDB37070,266.151809192,C15H22O4,CC12CC3CC1(CO)OC1(CC4(C)CCC21CO4)O3,"InChI=1S/C15H22O4/c1-11-3-4-13(9-17-11)12(2)5-10-6-14(12,8-16)19-15(13,7-11)18-10/h10,16H,3-9H2,1-2H3",RGGZJNLZRGIMHQ,UHFFFAOYSA,N,Sporol,RGGZJNLZRGIMHQ-UHFFFAOYSA-N
HMDB37071,135.068413915,C8H9NO,CC(=O)C1=NC=CC(C)=C1,"InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3",HRVQMQWVGKYDCF,UHFFFAOYSA,N,2-Acetyl-4-methylpyridine,HRVQMQWVGKYDCF-UHFFFAOYSA-N
HMDB37072,135.068413915,C8H9NO,CC(=O)C1=CC=CC(C)=N1,"InChI=1S/C8H9NO/c1-6-4-3-5-8(9-6)7(2)10/h3-5H,1-2H3",FPQMUQPPAYCAME,UHFFFAOYSA,N,2-Acetyl-6-methylpyridine,FPQMUQPPAYCAME-UHFFFAOYSA-N
HMDB37073,470.088282236,C20H22O11S,OCC1OC(OC2=CC(\C=C/C3=CC=C(OS(O)(=O)=O)C=C3)=CC(O)=C2)C(O)C(O)C1O,"InChI=1S/C20H22O11S/c21-10-16-17(23)18(24)19(25)20(30-16)29-15-8-12(7-13(22)9-15)2-1-11-3-5-14(6-4-11)31-32(26,27)28/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-",OPXYKICHKIQGOV,UPHRSURJSA,N,(E)-Resveratrol 3-glucoside 4'-sulfate,OPXYKICHKIQGOV-UPHRSURJSA-N
HMDB37074,470.088282236,C20H22O11S,OCC1OC(OC2=CC(OS(O)(=O)=O)=CC(\C=C/C3=CC=C(O)C=C3)=C2)C(O)C(O)C1O,"InChI=1S/C20H22O11S/c21-10-16-17(23)18(24)19(25)20(30-16)29-14-7-12(8-15(9-14)31-32(26,27)28)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-",WYPZTOJGOQAJJD,UPHRSURJSA,N,(Z)-Resveratrol 3-glucoside 5-sulfate,WYPZTOJGOQAJJD-UPHRSURJSA-N
HMDB37075,470.088282236,C20H22O11S,OCC1OC(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)C(OS(O)(=O)=O)C(O)C1O,"InChI=1S/C20H22O11S/c21-10-16-17(24)18(25)19(31-32(26,27)28)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-",NSGOKDPIHZLAAL,UPHRSURJSA,N,(Z)-Resveratrol 3-(2''-sulfoglucoside),NSGOKDPIHZLAAL-UPHRSURJSA-N
HMDB37076,470.088282236,C20H22O11S,OCC1OC(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1OS(O)(=O)=O,"InChI=1S/C20H22O11S/c21-10-16-19(31-32(26,27)28)17(24)18(25)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-",AUBJHOOEDBNQCQ,UPHRSURJSA,N,(Z)-Resveratrol 3-(4''-sulfoglucoside),AUBJHOOEDBNQCQ-UPHRSURJSA-N
HMDB37077,470.088282236,C20H22O11S,OC1C(COS(O)(=O)=O)OC(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)C(O)C1O,"InChI=1S/C20H22O11S/c21-13-5-3-11(4-6-13)1-2-12-7-14(22)9-15(8-12)30-20-19(25)18(24)17(23)16(31-20)10-29-32(26,27)28/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-",WOXRJKNGYKAHCY,UPHRSURJSA,N,(Z)-Resveratrol 3-(6''-sulfoglucopyranoside),WOXRJKNGYKAHCY-UPHRSURJSA-N
HMDB37078,470.088282236,C20H22O11S,OCC1OC(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(OS(O)(=O)=O)C1O,"InChI=1S/C20H22O11S/c21-10-16-17(24)19(31-32(26,27)28)18(25)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-",GRCHJRYXBWXDQI,UPHRSURJSA,N,(Z)-Resveratrol 3-(3''-sulfoglucoside),GRCHJRYXBWXDQI-UPHRSURJSA-N
HMDB37079,462.07982604,C21H18O12,COC1=C(O)C=C2C(=O)OC3=C4C(=CC(O)=C3OC3OC(C)C(O)C(O)C3O)C(=O)OC1=C24,"InChI=1S/C21H18O12/c1-5-12(24)13(25)14(26)21(30-5)33-16-9(23)4-7-11-10-6(20(28)32-18(11)16)3-8(22)15(29-2)17(10)31-19(7)27/h3-5,12-14,21-26H,1-2H3",UNIJYMVRSKZTJI,UHFFFAOYSA,N,3-Methylellagic acid 8-rhamnoside,UNIJYMVRSKZTJI-UHFFFAOYSA-N
HMDB37080,504.090390726,C23H20O13,COC1=C(O)C=C2C(=O)OC3=C4C(=CC(O)=C3OC3OC(C)C(O)C(O)C3OC(C)=O)C(=O)OC1=C24,"InChI=1S/C23H20O13/c1-6-14(27)15(28)20(33-7(2)24)23(32-6)36-17-11(26)5-9-13-12-8(22(30)35-19(13)17)4-10(25)16(31-3)18(12)34-21(9)29/h4-6,14-15,20,23,25-28H,1-3H3",XOBMJVRDRZBSBR,UHFFFAOYSA,N,3-Methylellagic acid 8-(2-acetylrhamnoside),XOBMJVRDRZBSBR-UHFFFAOYSA-N
HMDB37081,504.090390726,C23H20O13,COC1=C(O)C=C2C(=O)OC3=C4C(=CC(O)=C3OC3OC(C)C(O)C(OC(C)=O)C3O)C(=O)OC1=C24,"InChI=1S/C23H20O13/c1-6-14(27)20(33-7(2)24)15(28)23(32-6)36-17-11(26)5-9-13-12-8(22(30)35-19(13)17)4-10(25)16(31-3)18(12)34-21(9)29/h4-6,14-15,20,23,25-28H,1-3H3",ULZKIGKDWCAPHH,UHFFFAOYSA,N,3-Methylellagic acid 8-(3-acetylrhamnoside),ULZKIGKDWCAPHH-UHFFFAOYSA-N
HMDB37082,504.090390726,C23H20O13,COC1=C(O)C=C2C(=O)OC3=C4C(=CC(O)=C3OC3OC(C)C(OC(C)=O)C(O)C3O)C(=O)OC1=C24,"InChI=1S/C23H20O13/c1-6-16(33-7(2)24)14(27)15(28)23(32-6)36-18-11(26)5-9-13-12-8(22(30)35-20(13)18)4-10(25)17(31-3)19(12)34-21(9)29/h4-6,14-16,23,25-28H,1-3H3",BQACUXSQZVEJCN,UHFFFAOYSA,N,3-Methylellagic acid 8-(4-acetylrhamnoside),BQACUXSQZVEJCN-UHFFFAOYSA-N
HMDB37083,524.225761994,C26H36O11,COC1=C(O)C=CC(CC(CO)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3",DRLPXFRWJUZTMG,UHFFFAOYSA,N,"(8R,8'R)-Secoisolariciresinol 9-glucoside",DRLPXFRWJUZTMG-UHFFFAOYSA-N
HMDB37084,494.215197308,C25H34O10,COC1=C(O)C=CC(CC(CO)C(COC2OCC(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C25H34O10/c1-32-21-9-14(3-5-18(21)27)7-16(11-26)17(8-15-4-6-19(28)22(10-15)33-2)12-34-25-24(31)23(30)20(29)13-35-25/h3-6,9-10,16-17,20,23-31H,7-8,11-13H2,1-2H3",KAXGCKCCFQIHTO,UHFFFAOYSA,N,"(8S,8'S)-Secoisolariciresinol 9-xyloside",KAXGCKCCFQIHTO-UHFFFAOYSA-N
HMDB37085,624.169034976,C28H32O16,COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C28H32O16/c1-9-18(33)22(37)26(44-27-23(38)21(36)19(34)16(8-29)42-27)28(40-9)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3",XROLKJQSNAPGKX,UHFFFAOYSA,N,Isorhamnetin 3-O-[b-D-glucopyranosyl-(1->2)-a-L-rhamnopyranoside],XROLKJQSNAPGKX-UHFFFAOYSA-N
HMDB37086,314.115423686,C18H18O5,COC1=C2OC=CC2=C(OC)C2=C1OC(=O)C(=C2)C(C)(C)C=C,"InChI=1S/C18H18O5/c1-6-18(2,3)12-9-11-13(20-4)10-7-8-22-14(10)16(21-5)15(11)23-17(12)19/h6-9H,1H2,2-5H3",KHRPPPVMZUBIOV,UHFFFAOYSA,N,"5,8-Dimethoxychalepensin",KHRPPPVMZUBIOV-UHFFFAOYSA-N
HMDB37087,568.121690854,C28H24O13,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1OC1OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C1O)C2=O,"InChI=1S/C28H24O13/c1-10-5-13-19(14(29)6-10)24(35)20-12(21(13)32)3-2-4-17(20)40-28-26(37)25(36)23(34)18(41-28)9-39-27(38)11-7-15(30)22(33)16(31)8-11/h2-8,18,23,25-26,28-31,33-34,36-37H,9H2,1H3",KBGOIDOUXFNKHS,UHFFFAOYSA,N,Chrysophanol 8-(6-galloylglucoside),KBGOIDOUXFNKHS-UHFFFAOYSA-N
HMDB37088,458.142426296,C20H26O12,OCC1OC(OC2=CC=C(\C=C\C(O)=O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O,"InChI=1S/C20H26O12/c21-7-12-14(25)15(26)16(32-19-17(27)20(28,8-22)9-29-19)18(31-12)30-11-4-1-10(2-5-11)3-6-13(23)24/h1-6,12,14-19,21-22,25-28H,7-9H2,(H,23,24)/b6-3+",DAVWDWCHQLSZAZ,ZZXKWVIFSA,N,cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside],DAVWDWCHQLSZAZ-ZZXKWVIFSA-N
HMDB37089,611.140080572,C30H27O14,OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1",DHTPVCYNNWQRMN,UHFFFAOYSA,O,Delphinidin 3-(6-p-coumaroylgalactoside),DHTPVCYNNWQRMN-UHFFFAOYSA-O
HMDB37090,759.19838331,C32H39O21,OCC1OC(OC2=C3C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(=[O+]C3=CC(O)=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C32H38O21/c33-6-18-22(41)24(43)27(46)31(51-18)49-16-4-10(35)3-15-11(16)5-17(28(48-15)9-1-12(36)20(39)13(37)2-9)50-32-29(25(44)23(42)19(7-34)52-32)53-30-26(45)21(40)14(38)8-47-30/h1-5,14,18-19,21-27,29-34,38,40-46H,6-8H2,(H3-,35,36,37,39)/p+1",SVKUZBZQDMYGEP,UHFFFAOYSA,O,Delphinidin 3-lathyroside 5-glucoside,SVKUZBZQDMYGEP-UHFFFAOYSA-O
HMDB37091,801.208947996,C34H41O22,CC(=O)OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C34H40O22/c1-10(36)49-9-21-25(44)26(45)29(48)33(55-21)52-18-5-12(37)4-17-13(18)6-19(30(51-17)11-2-14(38)22(41)15(39)3-11)53-34-31(27(46)24(43)20(7-35)54-34)56-32-28(47)23(42)16(40)8-50-32/h2-6,16,20-21,23-29,31-35,40,42-48H,7-9H2,1H3,(H3-,37,38,39,41)/p+1",BPKSCEYQFADAOR,UHFFFAOYSA,O,Delphinidin 3-lathyroside 5-(6-acetylglucoside),BPKSCEYQFADAOR-UHFFFAOYSA-O
HMDB37092,530.142426296,C26H26O12,COC1=C(O)C=CC(\C=C/C(=O)OC2C(O)CC(O)(CC2OC(=O)\C=C/C2=CC(O)=C(O)C=C2)C(O)=O)=C1,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-24-19(30)12-26(35,25(33)34)13-21(24)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-4-,9-5-",RKAYMOSEFYVEJU,XEQVNJCQSA,N,3-Caffeoyl-4-feruloylquinic acid,RKAYMOSEFYVEJU-XEQVNJCQSA-N
HMDB37093,544.15807636,C27H28O12,COC(=O)C1(O)CC(O)C(OC(=O)\C=C/C2=CC(OC)=C(O)C=C2)C(C1)OC(=O)\C=C/C1=CC(O)=C(O)C=C1,"InChI=1S/C27H28O12/c1-36-21-12-16(4-8-18(21)29)6-10-24(33)39-25-20(31)13-27(35,26(34)37-2)14-22(25)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h3-12,20,22,25,28-31,35H,13-14H2,1-2H3/b9-5-,10-6-",RTLCSWCXZWROFK,OZDSWYPASA,N,"Methyl 3,4-dicaffeoylquinate",RTLCSWCXZWROFK-OZDSWYPASA-N
HMDB37094,802.180387522,C33H38O23,OCC1OC(OC2=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C3OC(C4=CC=C(O)C=C4)=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C3=C2O)C(O)C(O)C1O,"InChI=1S/C33H38O23/c34-6-12-15(37)19(41)23(45)32(52-12)54-27-11(51-31-25(47)21(43)22(44)29(56-31)30(48)49)5-10-14(17(27)39)18(40)28(26(50-10)8-1-3-9(36)4-2-8)55-33-24(46)20(42)16(38)13(7-35)53-33/h1-5,12-13,15-16,19-25,29,31-39,41-47H,6-7H2,(H,48,49)",AAKJOZZAGIRTOJ,UHFFFAOYSA,N,"6-Hydroxykaempferol 3,6-diglucoside 7-glucuronide",AAKJOZZAGIRTOJ-UHFFFAOYSA-N
HMDB37096,330.073952802,C17H14O7,COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(O)C(OC)=C2O,"InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)11-7-10(18)12-13(19)17(23-2)15(21)14(20)16(12)24-11/h3-7,19-21H,1-2H3",ASAOSMVQLGTAQO,UHFFFAOYSA,N,Pilosin,ASAOSMVQLGTAQO-UHFFFAOYSA-N
HMDB37097,424.188588628,C25H28O6,COC1=C(O\C=C/C(C)C)C=CC(=C1)C1OCC2C1COC2C1=CC2=C(OCO2)C=C1,"InChI=1S/C25H28O6/c1-15(2)8-9-27-20-6-4-16(10-22(20)26-3)24-18-12-29-25(19(18)13-28-24)17-5-7-21-23(11-17)31-14-30-21/h4-11,15,18-19,24-25H,12-14H2,1-3H3/b9-8-",NXUQPWMHPDPMCA,HJWRWDBZSA,N,3-Methyl-2-butenyl-(-)-piperitol,NXUQPWMHPDPMCA-HJWRWDBZSA-N
HMDB37098,412.092495355,C19H21ClO8,CC(=O)C1=C(O)C2=C(C=CC=C2OC2OC(CO)C(O)C(O)C2O)C(Cl)=C1C,"InChI=1S/C19H21ClO8/c1-7-12(8(2)22)16(24)13-9(14(7)20)4-3-5-10(13)27-19-18(26)17(25)15(23)11(6-21)28-19/h3-5,11,15,17-19,21,23-26H,6H2,1-2H3",HEPVWAFOECZRTB,UHFFFAOYSA,N,Patientoside A,HEPVWAFOECZRTB-UHFFFAOYSA-N
HMDB37100,540.18429111,C25H32O13,CC(=O)C1=C(O)C2=C(C=CC=C2OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C=C1C,"InChI=1S/C25H32O13/c1-9-6-11-4-3-5-12(16(11)19(31)15(9)10(2)28)35-25-22(34)23(18(30)14(8-27)37-25)38-24-21(33)20(32)17(29)13(7-26)36-24/h3-6,13-14,17-18,20-27,29-34H,7-8H2,1-2H3",PFGAJVHSRWCMOQ,UHFFFAOYSA,N,Orientaloside,PFGAJVHSRWCMOQ-UHFFFAOYSA-N
HMDB37101,312.063388116,C17H12O6,COC1=C(C(O)=O)C(C)=C2C(=O)C3=C(C=CC=C3O)C(=O)C2=C1,"InChI=1S/C17H12O6/c1-7-12-9(6-11(23-2)13(7)17(21)22)15(19)8-4-3-5-10(18)14(8)16(12)20/h3-6,18H,1-2H3,(H,21,22)",QYKOMVRHNZHDBN,UHFFFAOYSA,N,8-Hydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid,QYKOMVRHNZHDBN-UHFFFAOYSA-N
HMDB37102,559.402544567,C37H53NO3,CC1(CO)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4=CCC3(C)C2C1)OC(=O)C1=CC=C(N)C=C1,"InChI=1S/C37H53NO3/c1-32(2)28-13-12-27-26(35(28,5)16-15-30(32)41-31(40)24-8-10-25(38)11-9-24)14-17-37(7)29-22-33(3,23-39)18-19-34(29,4)20-21-36(27,37)6/h8-12,14,28-30,39H,13,15-23,38H2,1-7H3",ZWMUXUKAKHYXMZ,UHFFFAOYSA,N,Debenzoylzucchini factor B,ZWMUXUKAKHYXMZ-UHFFFAOYSA-N
HMDB37103,362.172938564,C20H26O6,[H][C@@]12C[C@H](O)[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@@]1([H])[C@@]22CCC[C@]1(C)C(=O)OC2,"InChI=1S/C20H26O6/c1-10-7-19-8-20(10,25)12(21)6-11(19)18-5-3-4-17(2,16(24)26-9-18)14(18)13(19)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)/t11-,12-,13+,14+,17+,18+,19-,20-/m0/s1",RJLDWXDBZIDMEF,ARCJWRNYSA,N,Gibberellin A124,RJLDWXDBZIDMEF-ARCJWRNYSA-N
HMDB37104,210.125594442,C12H18O3,CC(=O)OC(C)(C)C1CC=C(C)C(=O)C1,"InChI=1S/C12H18O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3",FTCAQUBXEGKQTD,UHFFFAOYSA,N,(R)-8-Acetoxycarvotanacetone,FTCAQUBXEGKQTD-UHFFFAOYSA-N
HMDB37105,555.522659701,C34H69NO4,CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC,"InChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)35-31(30-36)34(39)32(37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34,36-37,39H,3-30H2,1-2H3,(H,35,38)",IVBULNXGVIHEKN,UHFFFAOYSA,N,Armillaramide,IVBULNXGVIHEKN-UHFFFAOYSA-N
HMDB37106,184.146329884,C11H20O2,CCCCCCC(OC(C)=O)C=C,"InChI=1S/C11H20O2/c1-4-6-7-8-9-11(5-2)13-10(3)12/h5,11H,2,4,6-9H2,1,3H3",PUWRLDPHAKKTKR,UHFFFAOYSA,N,(x)-1-Nonen-3-yl acetate,PUWRLDPHAKKTKR-UHFFFAOYSA-N
HMDB37107,306.16919059,C15H22N4O3,COC1=CC(\C=C\C(=O)NCCCCNC(N)=N)=CC=C1O,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",UBMDAKWARMURDL,FNORWQNLSA,N,N1-trans-Feruloylagmatine,UBMDAKWARMURDL-FNORWQNLSA-N
HMDB37108,458.178811802,C21H30O11,C\C=C\C1=CC(O)=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C=C1,"InChI=1S/C21H30O11/c1-3-4-10-5-6-12(11(22)7-10)31-21-19(28)17(26)15(24)13(32-21)8-29-20-18(27)16(25)14(23)9(2)30-20/h3-7,9,13-28H,8H2,1-2H3/b4-3+",ORYDHHXIZWIIQT,ONEGZZNKSA,N,3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],ORYDHHXIZWIIQT-ONEGZZNKSA-N
HMDB37109,308.104859,C19H16O4,OC1C(O)C2=CC=CC3=C2C(C1O)=C(C=C3)C1=CC=C(O)C=C1,"InChI=1S/C19H16O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17-23H",SPLDXWBMWDTALK,UHFFFAOYSA,N,"(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol",SPLDXWBMWDTALK-UHFFFAOYSA-N
HMDB37110,322.084123558,C19H14O5,OC1C(O)C2=C(C=CC3=C2C(=CC=C3)C1=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C19H14O5/c20-13-7-5-10(8-14(13)21)11-6-4-9-2-1-3-12-15(9)16(11)18(23)19(24)17(12)22/h1-8,18-21,23-24H",KYFLPCGJIAGYKZ,UHFFFAOYSA,N,"4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one",KYFLPCGJIAGYKZ-UHFFFAOYSA-N
HMDB37111,306.089208936,C19H14O4,OC1C(O)C2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=C(O)C=C1,"InChI=1S/C19H14O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17,19-21,23H",HQIRTAPJDZWJHS,UHFFFAOYSA,N,Musanolone C,HQIRTAPJDZWJHS-UHFFFAOYSA-N
HMDB37112,360.996484661,C14H7ClF3NO5,OC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O,"InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)",NUFNQYOELLVIPL,UHFFFAOYSA,N,Acifluorfen,NUFNQYOELLVIPL-UHFFFAOYSA-N
HMDB37113,173.084063979,C11H11NO,O=C1CCC2=CC=CC3=C2N1CC3,"InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2",XRJLAOUDSILTFT,UHFFFAOYSA,N,"1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one",XRJLAOUDSILTFT-UHFFFAOYSA-N
HMDB37114,144.07864425,C7H12O3,CCC(C)C(=O)C(=O)OC,"InChI=1S/C7H12O3/c1-4-5(2)6(8)7(9)10-3/h5H,4H2,1-3H3",ZPSBJVARKCHQDF,UHFFFAOYSA,N,Methyl (R)-3-methyl-2-oxopentanoate,ZPSBJVARKCHQDF-UHFFFAOYSA-N
HMDB37115,150.035064876,C5H10O3S,CSCCC(O)C(O)=O,"InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",ONFOSYPQQXJWGS,UHFFFAOYSA,N,(±)-2-Hydroxy-4-(methylthio)butanoic acid,ONFOSYPQQXJWGS-UHFFFAOYSA-N
HMDB37116,170.13067982,C10H18O2,CCCCCC1CCCC(=O)O1,"InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3",GHBSPIPJMLAMEP,UHFFFAOYSA,N,delta-Decalactone,GHBSPIPJMLAMEP-UHFFFAOYSA-N
HMDB37117,606.485939844,C37H66O6,CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3",SOAPDULPHQDKCM,UHFFFAOYSA,N,Neoannonin B,SOAPDULPHQDKCM-UHFFFAOYSA-N
HMDB37119,1642.63112365,C76H106O39,COC1=C(O)C=CC(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2OC(COC(=O)CC(C)(O)CC(=O)OCC3OC(OCC(CC4=CC(OC)=C(O)C=C4)C(COC4OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C4O)CC4=CC(OC)=C(O)C=C4)C(O)C(O)C3O)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C76H106O39/c1-75(99,23-55(82)83)24-56(84)105-32-52-60(88)64(92)68(96)72(113-52)110-30-41(17-37-9-13-45(80)49(21-37)103-5)42(18-38-10-14-46(81)50(22-38)104-6)31-111-74-70(98)66(94)62(90)54(115-74)34-107-58(86)26-76(2,100)25-57(85)106-33-53-61(89)65(93)69(97)73(114-53)109-29-40(16-36-8-12-44(79)48(20-36)102-4)39(15-35-7-11-43(78)47(19-35)101-3)28-108-71-67(95)63(91)59(87)51(27-77)112-71/h7-14,19-22,39-42,51-54,59-74,77-81,87-100H,15-18,23-34H2,1-6H3,(H,82,83)",DQIYBQNLWFVQIW,UHFFFAOYSA,N,Flaxseed lignan-HMGA oligomer,DQIYBQNLWFVQIW-UHFFFAOYSA-N
HMDB37120,257.907583215,C7H5Cl3O2S,CS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl,"InChI=1S/C7H5Cl3O2S/c1-13(11,12)7-5(9)2-4(8)3-6(7)10/h2-3H,1H3",NOSWATRCDIPOON,UHFFFAOYSA,N,"1,3,5-Trichloro-(2-methylsulfonyl)benzene",NOSWATRCDIPOON-UHFFFAOYSA-N
HMDB37121,584.422945658,C40H56O3,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1(O)C(=C)CC(O)CC1(C)C,"InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-24,35-36,41-43H,6,25-28H2,1-5,7-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+",DARXCJZXRPHHRN,IMJKPWSQSA,N,Prenigroxanthin,DARXCJZXRPHHRN-IMJKPWSQSA-N
HMDB37122,566.412380972,C40H54O2,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1(O)C(=C)C=CCC1(C)C,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+",BYJIOUBZISYXSQ,JEFJXCMXSA,N,Nigroxanthin,BYJIOUBZISYXSQ-JEFJXCMXSA-N
HMDB37123,814.47147157,C42H70O15,CC(C(O)C(O)C(=O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C,"InChI=1S/C42H70O15/c1-19(27(44)32(49)35(52)39(4,5)53)20-13-14-42(8)25-11-9-21-22(40(25,6)15-16-41(20,42)7)10-12-26(38(21,2)3)57-37-34(51)31(48)29(46)24(56-37)18-54-36-33(50)30(47)28(45)23(17-43)55-36/h9,19-20,22-34,36-37,43-51,53H,10-18H2,1-8H3",JRCQXODHWLEPSP,UHFFFAOYSA,N,Goyaglycoside h,JRCQXODHWLEPSP-UHFFFAOYSA-N
HMDB37124,780.465992262,C42H68O13,CC(CC(OC1OC(CO)C(O)C(O)C1O)C=C(C)C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C,"InChI=1S/C42H68O13/c1-21(2)16-23(52-36-34(49)32(47)30(45)25(18-43)53-36)17-22(3)24-10-12-40(7)27-11-13-42-28(41(27,20-51-42)15-14-39(24,40)6)8-9-29(38(42,4)5)55-37-35(50)33(48)31(46)26(19-44)54-37/h11,13,16,22-37,43-50H,8-10,12,14-15,17-20H2,1-7H3",ABQUGMVYQWOOLF,UHFFFAOYSA,N,Goyaglycoside f,ABQUGMVYQWOOLF-UHFFFAOYSA-N
HMDB37125,692.325535616,C32H52O16,CC12CCCC(C)(C1C(O)C(O)C13CC(CO)C(O)(C1)CCC23)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C32H52O16/c1-29-5-3-6-30(2,24(29)22(41)25(42)31-8-13(9-33)32(44,12-31)7-4-16(29)31)28(43)48-27-23(20(39)18(37)15(11-35)46-27)47-26-21(40)19(38)17(36)14(10-34)45-26/h13-27,33-42,44H,3-12H2,1-2H3",YOTRDVISFUJMJN,UHFFFAOYSA,N,Pisumoside B,YOTRDVISFUJMJN-UHFFFAOYSA-N
HMDB37126,854.378359046,C38H62O21,CC12CCCC(C)(C1C(O)C(O)C13CC(COC4OC(CO)C(O)C(O)C4O)C(O)(C1)CCC23)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C38H62O21/c1-35-5-3-6-36(2,34(52)59-33-28(24(47)21(44)17(11-41)57-33)58-32-26(49)23(46)20(43)16(10-40)56-32)29(35)27(50)30(51)37-8-14(38(53,13-37)7-4-18(35)37)12-54-31-25(48)22(45)19(42)15(9-39)55-31/h14-33,39-51,53H,3-13H2,1-2H3",KOGDNIPXKVTMKI,UHFFFAOYSA,N,Pisumoside A,KOGDNIPXKVTMKI-UHFFFAOYSA-N
HMDB37127,310.28718046,C20H38O2,CCCCCCCC\C=C\CCCCCCCCOC(C)=O,"InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10+",GYGAZRPDUOHMAF,ZHACJKMWSA,N,Oleyl acetate,GYGAZRPDUOHMAF-ZHACJKMWSA-N
HMDB37129,638.439383582,C36H62O9,C\C(=C/CCC(C)(C)O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H62O9/c1-19(10-9-13-32(2,3)43)20-11-15-35(7)26(20)21(38)16-24-34(6)14-12-25(39)33(4,5)30(34)22(17-36(24,35)8)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/b19-10+",SLPPUMWTJMNBCW,VXLYETTFSA,N,Sanchinoside B1,SLPPUMWTJMNBCW-VXLYETTFSA-N
HMDB37130,222.089208936,C12H14O4,CC(C)C(=O)OCC1=CC2=C(OCO2)C=C1,"InChI=1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3",RQULTIASPCVEFO,UHFFFAOYSA,N,Piperonyl isobutyrate,RQULTIASPCVEFO-UHFFFAOYSA-N
HMDB37131,277.027248701,C11H13Cl2NO3,CC1(C)OC(CN1C(=O)C(Cl)Cl)C1=CC=CO1,"InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3",MCNOFYBITGAAGM,UHFFFAOYSA,N,(±)-Furilazole,MCNOFYBITGAAGM-UHFFFAOYSA-N
HMDB37132,455.055601899,C15H21NO11S2,OCC1OC(S\C(CC(O)C2=CC=C(O)C=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C15H21NO11S2/c17-6-10-12(20)13(21)14(22)15(26-10)28-11(16-27-29(23,24)25)5-9(19)7-1-3-8(18)4-2-7/h1-4,9-10,12-15,17-22H,5-6H2,(H,23,24,25)/b16-11+",KSAPVDOWZWODPA,LFIBNONCSA,N,(2R)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl glucosinolate,KSAPVDOWZWODPA-LFIBNONCSA-N
HMDB37133,154.135765198,C10H18O,CC1(C)CCCC(C)(O1)C=C,"InChI=1S/C10H18O/c1-5-10(4)8-6-7-9(2,3)11-10/h5H,1,6-8H2,2-4H3",NETOHYFTCONTDT,UHFFFAOYSA,N,Linaloyl oxide,NETOHYFTCONTDT-UHFFFAOYSA-N
HMDB37134,120.068748266,C7H8N2,CC(=C)C1=CN=CC=N1,"InChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3",JMKUTMOIKCXELD,UHFFFAOYSA,N,(1-Methylethenyl)pyrazine,JMKUTMOIKCXELD-UHFFFAOYSA-N
HMDB37135,210.125594442,C12H18O3,COCCOC(C)OCC1=CC=CC=C1,"InChI=1S/C12H18O3/c1-11(14-9-8-13-2)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3",CNGTXGHYZBQUQS,UHFFFAOYSA,N,1-Benzyloxy-1-(2-methoxyethoxy)ethane,CNGTXGHYZBQUQS-UHFFFAOYSA-N
HMDB37136,846.388529802,C40H62O19,CC(C)C(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]2OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C,"InChI=1S/C40H62O19/c1-18(2)33(43)50-16-27-29(54-35(45)20(5)6)32(57-38(48)23(11)12)40(58-27,17-51-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1",UVGUPMLLGBCFEJ,SWTLDUCYSA,N,Sucrose acetate isobutyrate,UVGUPMLLGBCFEJ-SWTLDUCYSA-N
HMDB37137,216.136159128,C11H20O4,CCCCOC(=O)C(C)OC(=O)CCC,"InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3",NORZZKKLCYMBBF,UHFFFAOYSA,N,Butyl butyryllactate,NORZZKKLCYMBBF-UHFFFAOYSA-N
HMDB37139,192.151415262,C13H20O,CC(=O)CCC1=C(C)C=CCC1(C)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3",SQFRYZPEWOZAKJ,UHFFFAOYSA,N,"4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone",SQFRYZPEWOZAKJ-UHFFFAOYSA-N
HMDB37140,141.061220047,C7H11NS,CCC(C)C1=NC=CS1,"InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3",MHJSWOZJMPIGJQ,UHFFFAOYSA,N,2-(1-Methylpropyl)thiazole,MHJSWOZJMPIGJQ-UHFFFAOYSA-N
HMDB37141,254.134050638,C14H22O2S,CCCCC(=O)C(CCC)SC1=C(C)OC=C1,"InChI=1S/C14H22O2S/c1-4-6-8-12(15)14(7-5-2)17-13-9-10-16-11(13)3/h9-10,14H,4-8H2,1-3H3",PEYZZTQOVLTVHN,UHFFFAOYSA,N,4-[(2-Methyl-3-furanyl)thio]-5-nonanone,PEYZZTQOVLTVHN-UHFFFAOYSA-N
HMDB37142,176.083729628,C11H12O2,C1COC(O1)\C=C\C1=CC=CC=C1,"InChI=1S/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+",JQLASNFFJHGQTK,VOTSOKGWSA,N,"2-(Phenylethenyl)-1,3-dioxolane",JQLASNFFJHGQTK-VOTSOKGWSA-N
HMDB37143,158.13067982,C9H18O2,CCCCCCC(=O)CCO,"InChI=1S/C9H18O2/c1-2-3-4-5-6-9(11)7-8-10/h10H,2-8H2,1H3",KCTDZLVBGWXNSQ,UHFFFAOYSA,N,1-Hydroxy-3-nonanone,KCTDZLVBGWXNSQ-UHFFFAOYSA-N
HMDB37144,186.115698458,C12H14N2,CCCC1=CC=NN1C1=CC=CC=C1,"InChI=1S/C12H14N2/c1-2-6-11-9-10-13-14(11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3",VICXKFLOMKMGEH,UHFFFAOYSA,N,1-Phenyl-5-propyl-1H-pyrazole,VICXKFLOMKMGEH-UHFFFAOYSA-N
HMDB37145,176.083729628,C11H12O2,COC1=CC=C(\C=C(/C)C=O)C=C1,"InChI=1S/C11H12O2/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-8H,1-2H3/b9-7+",BNBBFUJNMYQYLA,VQHVLOKHSA,N,3-(4-Methoxyphenyl)-2-methyl-2-propenal,BNBBFUJNMYQYLA-VQHVLOKHSA-N
HMDB37146,344.219888756,C18H32O6,CCCCCC1COC(=O)CO1.CCCCCC1COCC(=O)O1,"InChI=1S/2C9H16O3/c1-2-3-4-5-8-6-12-9(10)7-11-8;1-2-3-4-5-8-6-11-7-9(10)12-8/h2*8H,2-7H2,1H3",XAHPFDPHEQKYLC,UHFFFAOYSA,N,"5(6)-Pentyl-1,4-dioxan-2-one",XAHPFDPHEQKYLC-UHFFFAOYSA-N
HMDB37147,316.188588628,C16H28O6,CCCCC1COC(=O)CO1.CCCCC1COCC(=O)O1,"InChI=1S/2C8H14O3/c1-2-3-4-7-5-11-8(9)6-10-7;1-2-3-4-7-5-10-6-8(9)11-7/h2*7H,2-6H2,1H3",STMQLPKECANUQX,UHFFFAOYSA,N,"5(6)-Butyl-1,4-dioxan-2-one",STMQLPKECANUQX-UHFFFAOYSA-N
HMDB37148,134.08439833,C8H10N2,CC1=NC2=C(CCC2)N=C1,"InChI=1S/C8H10N2/c1-6-5-9-7-3-2-4-8(7)10-6/h5H,2-4H2,1H3",IMZGQUVGVWTFFY,UHFFFAOYSA,N,"6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine",IMZGQUVGVWTFFY-UHFFFAOYSA-N
HMDB37149,134.08439833,C8H10N2,CC1CCC2=C1N=CC=N2,"InChI=1S/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3",YZEFQPIMXZVPKP,UHFFFAOYSA,N,"6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine",YZEFQPIMXZVPKP-UHFFFAOYSA-N
HMDB37150,140.120115134,C9H16O,CCCC\C=C(\CC)C=O,"InChI=1S/C9H16O/c1-3-5-6-7-9(4-2)8-10/h7-8H,3-6H2,1-2H3/b9-7-",RKQKOUYEJBHOFR,CLFYSBASSA,N,2-Ethyl-2-heptenal,RKQKOUYEJBHOFR-CLFYSBASSA-N
HMDB37151,136.100048394,C8H12N2,CC(C)C1=NC=C(C)N=C1,"InChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3",PGTQKVQDZHXLOP,UHFFFAOYSA,N,2-Isopropyl-5-methylpyrazine,PGTQKVQDZHXLOP-UHFFFAOYSA-N
HMDB37152,126.10446507,C8H14O,CCCC\C(=C/C)C=O,"InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4+",RAPHJZMCZKGDSB,XBXARRHUSA,N,2-Ethylidenehexanal,RAPHJZMCZKGDSB-XBXARRHUSA-N
HMDB37153,212.087100446,C11H16O2S,CC(C)CC(=O)SC1=C(C)OC(C)=C1,"InChI=1S/C11H16O2S/c1-7(2)5-11(12)14-10-6-8(3)13-9(10)4/h6-7H,5H2,1-4H3",XFNLWIPNTYNNJX,UHFFFAOYSA,N,"S-2,5-Dimethyl-3-furanyl 3-methylbutanethioate",XFNLWIPNTYNNJX-UHFFFAOYSA-N
HMDB37154,254.134050638,C14H22O2S,CC(C)CC(=O)C(SC1=C(C)OC=C1)C(C)C,"InChI=1S/C14H22O2S/c1-9(2)8-12(15)14(10(3)4)17-13-6-7-16-11(13)5/h6-7,9-10,14H,8H2,1-5H3",PFFLSEMCPNTWOY,UHFFFAOYSA,N,"2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone",PFFLSEMCPNTWOY-UHFFFAOYSA-N
HMDB37155,174.071450382,C8H14O2S,CC(=O)CCSCCC(C)=O,"InChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-6H2,1-2H3",CIBUHUTVSRPCRO,UHFFFAOYSA,N,"4,4'-Thiobis-2-butanone",CIBUHUTVSRPCRO-UHFFFAOYSA-N
HMDB37156,141.061220047,C7H11NS,CC(C)C1=NC(C)=CS1,"InChI=1S/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H3",OFLXNHNYPQPQKW,UHFFFAOYSA,N,4-Methyl-2-(1-methylethyl)thiazole,OFLXNHNYPQPQKW-UHFFFAOYSA-N
HMDB37157,188.032956386,C8H12OS2,CCCSSC1=C(C)OC=C1,"InChI=1S/C8H12OS2/c1-3-6-10-11-8-4-5-9-7(8)2/h4-5H,3,6H2,1-2H3",YFPPCUTVJGGSQC,UHFFFAOYSA,N,2-Methyl-3-(propyldithio)furan,YFPPCUTVJGGSQC-UHFFFAOYSA-N
HMDB37158,226.10275051,C12H18O2S,CCCC(=O)C(CC)SC1=C(C)OC=C1,"InChI=1S/C12H18O2S/c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3",GFRRQSASJZMMJC,UHFFFAOYSA,N,3-[(2-Methyl-3-furanyl)thio]-4-heptanone,GFRRQSASJZMMJC-UHFFFAOYSA-N
HMDB37159,171.108170239,C9H17NS,CC(C)CC1SC(C)C(C)=N1,"InChI=1S/C9H17NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3",FDOISHJOXPONIV,UHFFFAOYSA,N,"2,5-Dihydro-4,5-dimethyl-2-(2-methylpropyl)thiazole",FDOISHJOXPONIV-UHFFFAOYSA-N
HMDB37160,164.083729628,C10H12O2,CC1COC(O1)C1=CC=CC=C1,"InChI=1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",CDIKGISJRLTLRA,UHFFFAOYSA,N,"4-Methyl-2-phenyl-1,3-dioxolane",CDIKGISJRLTLRA-UHFFFAOYSA-N
HMDB37161,154.135765198,C10H18O,CC(C)C\C=C(/C=O)C(C)C,"InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6+",IOLQAHFPDADCHJ,UXBLZVDNSA,N,2-Isopropyl-5-methyl-2-hexenal,IOLQAHFPDADCHJ-UXBLZVDNSA-N
HMDB37162,308.219888756,C15H32O6,CCOC(C)OCC(COC(C)OCC)OC(C)OCC,"InChI=1S/C15H32O6/c1-7-16-12(4)19-10-15(21-14(6)18-9-3)11-20-13(5)17-8-2/h12-15H,7-11H2,1-6H3",NSVOKCWMHBVBIU,UHFFFAOYSA,N,"1,2,3-Tris(1-ethoxyethoxy)propane",NSVOKCWMHBVBIU-UHFFFAOYSA-N
HMDB37163,220.167459256,C11H24O4,CCOC(C)OCC(C)OC(C)OCC,"InChI=1S/C11H24O4/c1-6-12-10(4)14-8-9(3)15-11(5)13-7-2/h9-11H,6-8H2,1-5H3",TZVJNJVDGXFMCF,UHFFFAOYSA,N,"1,2-Bis(1-ethoxyethoxy)propane",TZVJNJVDGXFMCF-UHFFFAOYSA-N
HMDB37164,158.13067982,C9H18O2,CCCCCC(CO)C(C)=O,"InChI=1S/C9H18O2/c1-3-4-5-6-9(7-10)8(2)11/h9-10H,3-7H2,1-2H3",XLFYWCDNLLZTIW,UHFFFAOYSA,N,3-(Hydroxymethyl)-2-octanone,XLFYWCDNLLZTIW-UHFFFAOYSA-N
HMDB37165,192.115029756,C12H16O2,CC(C1OCC(C)O1)C1=CC=CC=C1,"InChI=1S/C12H16O2/c1-9-8-13-12(14-9)10(2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3",KHLVXMUGPANNQD,UHFFFAOYSA,N,"4-Methyl-2-(1-phenylethyl)-1,3-dioxolane, 9CI",KHLVXMUGPANNQD-UHFFFAOYSA-N
HMDB37166,192.060885696,C11H12OS,CSC\C(C=O)=C\C1=CC=CC=C1,"InChI=1S/C11H12OS/c1-13-9-11(8-12)7-10-5-3-2-4-6-10/h2-8H,9H2,1H3/b11-7+",QJDHQEQDIWDMOT,YRNVUSSQSA,N,2-(Methylthiomethyl)-3-phenyl-2-propenal,QJDHQEQDIWDMOT-YRNVUSSQSA-N
HMDB37167,140.083729628,C8H12O2,CCC1CC(C)C(=O)C1=O,"InChI=1S/C8H12O2/c1-3-6-4-5(2)7(9)8(6)10/h5-6H,3-4H2,1-2H3",CMIUAOYKUMNWLW,UHFFFAOYSA,N,"3-Ethyl-5-methyl-1,2-cyclopentanedione",CMIUAOYKUMNWLW-UHFFFAOYSA-N
HMDB37168,141.024834541,C6H7NOS,CCC(=O)C1=NC=CS1,"InChI=1S/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3",TYRAENAWSLPSLW,UHFFFAOYSA,N,2-Propanoylthiazole,TYRAENAWSLPSLW-UHFFFAOYSA-N
HMDB37169,140.040818956,C6H8N2S,SCCC1=CN=CC=N1,"InChI=1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2",QKVWBAMZPUHCMO,UHFFFAOYSA,N,Pyrazineethanethiol,QKVWBAMZPUHCMO-UHFFFAOYSA-N
HMDB37170,140.120115134,C9H16O,CCCCCC(=C)C(C)=O,"InChI=1S/C9H16O/c1-4-5-6-7-8(2)9(3)10/h2,4-7H2,1,3H3",VBZQKPYXKJXTHZ,UHFFFAOYSA,N,3-Methylene-2-octanone,VBZQKPYXKJXTHZ-UHFFFAOYSA-N
HMDB37171,156.151415262,C10H20O,CC(CCO)CCCC(C)=C,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3",JGQFVRIQXUFPAH,UHFFFAOYSA,N,alpha-Citronellol,JGQFVRIQXUFPAH-UHFFFAOYSA-N
HMDB37172,152.120115134,C10H16O,CC(=C)C1CCC(C)(O1)C=C,"InChI=1S/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3",XIGFNCYVSHOLIF,UHFFFAOYSA,N,Tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran,XIGFNCYVSHOLIF-UHFFFAOYSA-N
HMDB37173,229.935232952,C8H6S4,S(SC1=CC=CS1)C1=CC=CS1,InChI=1S/C8H6S4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6H,YOLFWWMPGNMXFI,UHFFFAOYSA,N,Di-2-thienyl disulfide,YOLFWWMPGNMXFI-UHFFFAOYSA-N
HMDB37174,164.083729628,C10H12O2,CC1CCC2=C(C)C(=O)OC2=C1,"InChI=1S/C10H12O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5-6H,3-4H2,1-2H3",ZRTWVYJNKXXDDT,UHFFFAOYSA,N,"p-Mentha-2,4(8)-dien-9,3-olide",ZRTWVYJNKXXDDT-UHFFFAOYSA-N
HMDB37175,168.115029756,C10H16O2,CC(C)C1=CCC(CC1)C(O)=O,"InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3,7,9H,4-6H2,1-2H3,(H,11,12)",SVVRHSSIDPLFOP,UHFFFAOYSA,N,4-Isopropyl-3-cyclohexene-1-carboxylic acid,SVVRHSSIDPLFOP-UHFFFAOYSA-N
HMDB37176,143.076870111,C7H13NS,CCC1SC(C)C(C)=N1,"InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3",CSACPVARWHDAET,UHFFFAOYSA,N,"2-Ethyl-2,5-dihydro-4,5-dimethylthiazole",CSACPVARWHDAET-UHFFFAOYSA-N
HMDB37177,196.073558872,C10H12O4,CCCC(=O)C1=CC(O)=C(O)C=C1O,"InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3",SRUQARLMFOLRDN,UHFFFAOYSA,N,"1-(2,4,5-Trihydroxyphenyl)-1-butanone",SRUQARLMFOLRDN-UHFFFAOYSA-N
HMDB37178,129.024834541,C5H7NOS,COC1=CN=C(C)S1,"InChI=1S/C5H7NOS/c1-4-6-3-5(7-2)8-4/h3H,1-2H3",KNHWRHAKUZHDQP,UHFFFAOYSA,N,5-Methoxy-2-methylthiazole,KNHWRHAKUZHDQP-UHFFFAOYSA-N
HMDB37179,200.141244506,C11H20O3,CCCCCCC(=O)CCOC(C)=O,"InChI=1S/C11H20O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h3-9H2,1-2H3",SIDKXKCKKVBGMY,UHFFFAOYSA,N,3-Nonanon-1-yl acetate,SIDKXKCKKVBGMY-UHFFFAOYSA-N
HMDB37180,254.137890462,C11H18N4O3,CC1=NC(NCCCC(N)C(O)=O)=NC(C)=C1O,"InChI=1S/C11H18N4O3/c1-6-9(16)7(2)15-11(14-6)13-5-3-4-8(12)10(17)18/h8,16H,3-5,12H2,1-2H3,(H,17,18)(H,13,14,15)",DCPBQSFZQHFSMR,UHFFFAOYSA,N,(S)-Argpyrimidine,DCPBQSFZQHFSMR-UHFFFAOYSA-N
HMDB37181,128.120115134,C8H16O,CC(O)CCCCC=C,"InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3,8-9H,1,4-7H2,2H3",HSHUHVOEMVTVRS,UHFFFAOYSA,N,xi-7-Octen-2-ol,HSHUHVOEMVTVRS-UHFFFAOYSA-N
HMDB37182,522.34039782,C26H50O10,CCCCCCCCCCCC(=O)OCCOCC(OCCO)C1OCC(OCCO)C1OCCO,"InChI=1S/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3",HMFKFHLTUCJZJO,UHFFFAOYSA,N,Polysorbate 20,HMFKFHLTUCJZJO-UHFFFAOYSA-N
HMDB37183,434.28796832,C22H42O8,CCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](OCCO)[C@H]1OCCO,"InChI=1S/C22H42O8/c1-2-3-4-5-6-7-8-9-10-11-20(26)29-16-18(25)21-22(28-15-13-24)19(17-30-21)27-14-12-23/h18-19,21-25H,2-17H2,1H3/t18-,19+,21-,22-/m1/s1",CRBBOOXGHMTWOC,NPDDRXJXSA,N,Polysorbate 60,CRBBOOXGHMTWOC-NPDDRXJXSA-N
HMDB37184,244.167459256,C13H24O4,CCCCCC(CCCOC(C)=O)OC(C)=O,"InChI=1S/C13H24O4/c1-4-5-6-8-13(17-12(3)15)9-7-10-16-11(2)14/h13H,4-10H2,1-3H3",ZCDPXYMKJQTCSP,UHFFFAOYSA,N,"(±)-1,4-Nonanediol diacetate",ZCDPXYMKJQTCSP-UHFFFAOYSA-N
HMDB37185,184.146329884,C11H20O2,CC(CCCC(C)=C)CCOC=O,"InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h9,11H,1,4-8H2,2-3H3",VMBKZHMLQXCNCP,UHFFFAOYSA,N,Rhodinyl formate,VMBKZHMLQXCNCP-UHFFFAOYSA-N
HMDB37186,198.161979948,C12H22O2,CC(CCCC(C)=C)CCOC(C)=O,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3",WNXJCQNXNOOMDJ,UHFFFAOYSA,N,Rhodinyl acetate,WNXJCQNXNOOMDJ-UHFFFAOYSA-N
HMDB37187,212.177630012,C13H24O2,CCC(=O)OCCC(C)CCCC(C)=C,"InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h12H,2,5-10H2,1,3-4H3",HIOFEMJTKIEZFX,UHFFFAOYSA,N,Rhodinyl propionate,HIOFEMJTKIEZFX-UHFFFAOYSA-N
HMDB37188,226.193280076,C14H26O2,CCCC(=O)OCCC(C)CCCC(C)=C,"InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h13H,2,5-11H2,1,3-4H3",PYGYQOOIXMJQOJ,UHFFFAOYSA,N,Rhodinyl butyrate,PYGYQOOIXMJQOJ-UHFFFAOYSA-N
HMDB37189,226.193280076,C14H26O2,CC(C)C(=O)OCCC(C)CCCC(C)=C,"InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h12-13H,1,6-10H2,2-5H3",KHCGLDOOFYZQKU,UHFFFAOYSA,N,Rhodinyl isobutyrate,KHCGLDOOFYZQKU-UHFFFAOYSA-N
HMDB37190,240.20893014,C15H28O2,CC(C)CC(=O)OCCC(C)CCCC(C)=C,"InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h13-14H,1,6-11H2,2-5H3",OZAWINZSOFVOBJ,UHFFFAOYSA,N,Rhodinyl isovalerate,OZAWINZSOFVOBJ-UHFFFAOYSA-N
HMDB37191,274.193280076,C18H26O2,CC(CCCC(C)=C)CCOC(=O)CC1=CC=CC=C1,"InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3",SKZDJVXLRPCFQC,UHFFFAOYSA,N,Rhodinyl phenylacetate,SKZDJVXLRPCFQC-UHFFFAOYSA-N
HMDB37192,200.045090765,C7H13KO4,[K+].CCOC(C)OC(C)C([O-])=O,"InChI=1S/C7H14O4.K/c1-4-10-6(3)11-5(2)7(8)9;/h5-6H,4H2,1-3H3,(H,8,9);/q;+1/p-1",KUWQDXACCYCNOY,UHFFFAOYSA,M,Potassium 2-(1'-ethoxy) ethoxypropanoate,KUWQDXACCYCNOY-UHFFFAOYSA-M
HMDB37193,118.045235632,C5H10OS,CCC(=O)CSC,"InChI=1S/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3",GOAGGJDTOMPTSA,UHFFFAOYSA,N,1-(Methylthio)-2-butanone,GOAGGJDTOMPTSA-UHFFFAOYSA-N
HMDB37194,206.13067982,C13H18O2,CCOC(=O)C(CC)CC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3",QDCUBAFTOOPBFR,UHFFFAOYSA,N,Ethyl (±)-2-ethyl-3-phenylpropanoate,QDCUBAFTOOPBFR-UHFFFAOYSA-N
HMDB37195,238.193280076,C15H26O2,C=CCOC(=O)CCCCCC1CCCCC1,"InChI=1S/C15H26O2/c1-2-13-17-15(16)12-8-4-7-11-14-9-5-3-6-10-14/h2,14H,1,3-13H2",MMVNCZIEXUKMHF,UHFFFAOYSA,N,2-Propenyl cyclohexanehexanoate,MMVNCZIEXUKMHF-UHFFFAOYSA-N
HMDB37196,140.083729628,C8H12O2,CCOC(=O)C(C)C=C=C,"InChI=1S/C8H12O2/c1-4-6-7(3)8(9)10-5-2/h6-7H,1,5H2,2-3H3",DDZLNKMWFGDTAX,UHFFFAOYSA,N,"Ethyl 2-methyl-3,4-pentadienoate",DDZLNKMWFGDTAX-UHFFFAOYSA-N
HMDB37197,254.188194698,C15H26O3,CC1CC(O)C2C1CC1C(O)CC2(C)OC1(C)C,"InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3",HMTVXYYWICMXMY,UHFFFAOYSA,N,Kessyl glycol,HMTVXYYWICMXMY-UHFFFAOYSA-N
HMDB37199,344.037961226,C13H12O11,OC(C1OC(=O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O)C(O)=O,"InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10-7(17)9(23-13(10)22)8(18)11(19)20/h1-2,7-10,14-18H,(H,19,20)",GGQABIPBZKETPQ,UHFFFAOYSA,N,"2-O-Galloyl-1,4-galactarolactone",GGQABIPBZKETPQ-UHFFFAOYSA-N
HMDB37200,358.05361129,C14H14O11,COC(=O)C(O)C1OC(=O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O,"InChI=1S/C14H14O11/c1-23-13(21)9(19)10-8(18)11(14(22)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3",DTDWLEXEERIYFQ,UHFFFAOYSA,N,"2-Galloyl-1,4-galactarolactone methyl ester",DTDWLEXEERIYFQ-UHFFFAOYSA-N
HMDB37201,344.037961226,C13H12O11,OC(C1OC(=O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O,"InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)23-10-8(18)13(22)24-9(10)7(17)11(19)20/h1-2,7-10,14-18H,(H,19,20)",AKRXKEBXBSHTKE,UHFFFAOYSA,N,"3-O-Galloyl-1,4-galactarolactone",AKRXKEBXBSHTKE-UHFFFAOYSA-N
HMDB37202,344.037961226,C13H12O11,OC1C(O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O,"InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10(11(19)20)9-7(17)8(18)13(22)23-9/h1-2,7-10,14-18H,(H,19,20)",SVYWZVZMBHFNGC,UHFFFAOYSA,N,"5-O-Galloyl-1,4-galactarolactone",SVYWZVZMBHFNGC-UHFFFAOYSA-N
HMDB37203,358.05361129,C14H14O11,COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(=O)C(O)C1O,"InChI=1S/C14H14O11/c1-23-14(22)11(10-8(18)9(19)13(21)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3",RQUDYYZIFCIQQF,UHFFFAOYSA,N,"5-Methoxy-galloyl-1,4-galactarolactone",RQUDYYZIFCIQQF-UHFFFAOYSA-N
HMDB37204,496.048919842,C20H16O15,OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC1=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O,"InChI=1S/C20H16O15/c21-7-1-5(2-8(22)11(7)25)18(30)33-14-13(27)20(32)34-15(14)16(17(28)29)35-19(31)6-3-9(23)12(26)10(24)4-6/h1-4,13-16,21-27H,(H,28,29)",DRESSPOLWVWPPB,UHFFFAOYSA,N,"3,5-Di-O-galloyl-1,4-galactarolactone",DRESSPOLWVWPPB-UHFFFAOYSA-N
HMDB37205,439.060687277,C15H21NO10S2,OCC1OC(S\C(CC(O)C2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+",GAPDDBFHNYHZIS,LFIBNONCSA,N,(2R)-2-Hydroxy-2-phenylethyl glucosinolate,GAPDDBFHNYHZIS-LFIBNONCSA-N
HMDB37206,962.269202528,C44H50O24,COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C4=C(OC(=CC4=O)C4=CC(OC)=C(OC5OC(CO)C(O)C(O)C5O)C=C4)C=C3O)C(O)C(O)C2O)=C1,"InChI=1S/C44H50O24/c1-60-23-9-16(3-6-18(23)47)4-8-29(50)62-15-28-34(53)37(56)40(59)44(67-28)68-42-38(57)33(52)26(13-45)64-41(42)31-20(49)12-25-30(35(31)54)19(48)11-22(63-25)17-5-7-21(24(10-17)61-2)65-43-39(58)36(55)32(51)27(14-46)66-43/h3-12,26-28,32-34,36-47,49,51-59H,13-15H2,1-2H3/b8-4+",IOZYASBRIYBWMH,XBXARRHUSA,N,Isoscoparin 2''-(6-(E)-feruloylglucoside) 4'-glucoside,IOZYASBRIYBWMH-XBXARRHUSA-N
HMDB37207,772.206208342,C33H40O21,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H40O21/c34-7-15-19(39)23(43)26(46)31(50-15)48-12-5-13(38)18-14(6-12)49-28(10-1-3-11(37)4-2-10)29(22(18)42)53-33-30(25(45)21(41)17(9-36)52-33)54-32-27(47)24(44)20(40)16(8-35)51-32/h1-6,15-17,19-21,23-27,30-41,43-47H,7-9H2",MBFNAZBJKVFNKZ,UHFFFAOYSA,N,Kaempferol 3-sophoroside 7-glucoside,MBFNAZBJKVFNKZ-UHFFFAOYSA-N
HMDB37208,814.216773028,C35H42O22,CC(=O)OCC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C35H42O22/c1-11(38)50-10-19-23(43)27(47)32(57-34-29(49)26(46)22(42)18(9-37)54-34)35(55-19)56-31-24(44)20-15(40)6-14(51-33-28(48)25(45)21(41)17(8-36)53-33)7-16(20)52-30(31)12-2-4-13(39)5-3-12/h2-7,17-19,21-23,25-29,32-37,39-43,45-49H,8-10H2,1H3",DQCLINUMJUZKAR,UHFFFAOYSA,N,Kaempferol 3-[2''-glucosyl-6''-acetyl-galactoside] 7-glucoside,DQCLINUMJUZKAR-UHFFFAOYSA-N
HMDB37209,262.193280076,C17H26O2,CC(=O)OC\C(C)=C/CCC1(C)C2CC3C(C2)C13C,"InChI=1S/C17H26O2/c1-11(10-19-12(2)18)6-5-7-16(3)13-8-14-15(9-13)17(14,16)4/h6,13-15H,5,7-10H2,1-4H3/b11-6-",IXRPKRWXUJOOBZ,WDZFZDKYSA,N,alpha-Santalyl acetate,IXRPKRWXUJOOBZ-WDZFZDKYSA-N
HMDB37210,338.224580204,C23H30O2,C\C(COC(=O)CC1=CC=CC=C1)=C\CCC1(C)C2CC3C(C2)C13C,"InChI=1S/C23H30O2/c1-16(15-25-21(24)12-17-9-5-4-6-10-17)8-7-11-22(2)18-13-19-20(14-18)23(19,22)3/h4-6,8-10,18-20H,7,11-15H2,1-3H3/b16-8-",ISBNMFLPVWHCIH,PXNMLYILSA,N,alpha-Santalyl phenylacetate,ISBNMFLPVWHCIH-PXNMLYILSA-N
HMDB37211,240.20893014,C15H28O2,CC(C)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,"InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3/t12-,13+,14-/m1/s1",VYQSSWZYPCCBRN,HZSPNIEDSA,N,Menthyl isovalerate,VYQSSWZYPCCBRN-HZSPNIEDSA-N
HMDB37212,228.172544634,C13H24O3,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(C)O,"InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12-/m1/s1",UJNOLBSYLSYIBM,SGUBAKSOSA,N,Menthyl lactate,UJNOLBSYLSYIBM-SGUBAKSOSA-N
HMDB37213,138.140850576,C10H18,CC(C)C1=CCC(C)CC1,"InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h6,8-9H,4-5,7H2,1-3H3",YYCPSEFQLGXPCO,UHFFFAOYSA,N,xi-p-Menth-3-ene,YYCPSEFQLGXPCO-UHFFFAOYSA-N
HMDB37214,154.135765198,C10H18O,CC(=C)[C@H]1CC[C@](C)(O)CC1,"InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3/t9-,10-",RUJPNZNXGCHGID,MGCOHNPYSA,N,cis-beta-Terpineol,RUJPNZNXGCHGID-MGCOHNPYSA-N
HMDB37215,154.135765198,C10H18O,CC(=C)[C@H]1CC[C@@](C)(O)CC1,"InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3/t9-,10+",RUJPNZNXGCHGID,AOOOYVTPSA,N,trans-beta-Terpineol,RUJPNZNXGCHGID-AOOOYVTPSA-N
HMDB37216,272.177630012,C18H24O2,CC(C)=CCCC(C)(OC(=O)CC1=CC=CC=C1)C=C,"InChI=1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3",RROUXOOIXJRTOM,UHFFFAOYSA,N,Linalyl phenylacetate,RROUXOOIXJRTOM-UHFFFAOYSA-N
HMDB37217,170.13067982,C10H18O2,CCCCCCC1CCC(=O)O1,"InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3",IFYYFLINQYPWGJ,UHFFFAOYSA,N,xi-5-Hexyldihydro-2(3H)-furanone,IFYYFLINQYPWGJ-UHFFFAOYSA-N
HMDB37218,264.20893014,C17H28O2,CC1CCC2=C1CC(CCC2C)C(C)(C)OC(C)=O,"InChI=1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3",DRFSOBZVMGLICQ,UHFFFAOYSA,N,Guaiol acetate,DRFSOBZVMGLICQ-UHFFFAOYSA-N
HMDB37219,780.465992262,C42H68O13,CC(C\C=C\C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C,"InChI=1S/C42H68O13/c1-22(9-8-14-37(2,3)55-36-34(50)32(48)30(46)25(20-44)53-36)23-12-15-40(7)26-13-16-42-27(41(26,21-51-42)18-17-39(23,40)6)10-11-28(38(42,4)5)54-35-33(49)31(47)29(45)24(19-43)52-35/h8,13-14,16,22-36,43-50H,9-12,15,17-21H2,1-7H3/b14-8+",IZECUWXXDNFCRQ,RIYZIHGNSA,N,Goyaglycoside e,IZECUWXXDNFCRQ-RIYZIHGNSA-N
HMDB37220,788.201122964,C33H40O22,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-10-4-13(39)18-14(5-10)50-28(9-1-2-11(37)12(38)3-9)29(22(18)43)54-33-30(25(46)21(42)17(8-36)53-33)55-32-27(48)24(45)20(41)16(7-35)52-32/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2",MSUZWPXKWROYDK,UHFFFAOYSA,N,Quercetin 3-(2''-glucosylgalactoside) 7-glucoside,MSUZWPXKWROYDK-UHFFFAOYSA-N
HMDB37221,1378.640506546,C65H102O31,CC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C65H102O31/c1-24-34(69)38(73)44(79)54(86-24)92-48-35(70)25(2)87-58(51(48)95-55-46(81)42(77)47(26(3)88-55)91-53-43(78)36(71)29(68)22-85-53)96-59(84)65-18-16-60(4,5)20-28(65)27-10-11-32-61(6)14-13-33(62(7,23-67)31(61)12-15-64(32,9)63(27,8)17-19-65)90-57-50(41(76)40(75)49(93-57)52(82)83)94-56-45(80)39(74)37(72)30(21-66)89-56/h10,23-26,28-51,53-58,66,68-81H,11-22H2,1-9H3,(H,82,83)",ULHRDLGYAHWAGO,UHFFFAOYSA,N,Goyasaponin I,ULHRDLGYAHWAGO-UHFFFAOYSA-N
HMDB37222,1510.68276529,C70H110O35,CC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C2OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C70H110O35/c1-25-36(75)40(79)46(85)59(94-25)101-52-37(76)26(2)95-63(55(52)104-60-48(87)44(83)50(27(3)96-60)99-58-49(88)51(31(74)23-93-58)100-57-45(84)38(77)30(73)22-92-57)105-64(91)70-18-16-65(4,5)20-29(70)28-10-11-34-66(6)14-13-35(67(7,24-72)33(66)12-15-69(34,9)68(28,8)17-19-70)98-62-54(43(82)42(81)53(102-62)56(89)90)103-61-47(86)41(80)39(78)32(21-71)97-61/h10,24-27,29-55,57-63,71,73-88H,11-23H2,1-9H3,(H,89,90)",IVYQSEVUVAENJB,UHFFFAOYSA,N,Goyasaponin II,IVYQSEVUVAENJB-UHFFFAOYSA-N
HMDB37223,156.151415262,C10H20O,CC(C)C1CCC(C)C(O)C1,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-11H,4-6H2,1-3H3",ULJXKUJMXIVDOY,UHFFFAOYSA,N,(±)-Carvomenthol,ULJXKUJMXIVDOY-UHFFFAOYSA-N
HMDB37224,264.20893014,C17H28O2,CC(=O)OC1C2(C)CCCC1(C)C1CC(C)(C)CC21,"InChI=1S/C17H28O2/c1-11(18)19-14-16(4)7-6-8-17(14,5)13-10-15(2,3)9-12(13)16/h12-14H,6-10H2,1-5H3",UMESJHMLICGCDG,UHFFFAOYSA,N,alpha-Caryophyllene alcohol acetate,UMESJHMLICGCDG-UHFFFAOYSA-N
HMDB37225,184.146329884,C11H20O2,COC(=O)CC(C)CCC=C(C)C,"InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3",ZFLPOPCZMXGUOJ,UHFFFAOYSA,N,Methyl citronellate,ZFLPOPCZMXGUOJ-UHFFFAOYSA-N
HMDB37226,212.177630012,C13H24O2,CCC(=O)OCCC(C)CCC=C(C)C,"InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3",POPNTVRHTZDEBW,UHFFFAOYSA,N,Citronellyl propionate,POPNTVRHTZDEBW-UHFFFAOYSA-N
HMDB37227,226.193280076,C14H26O2,CCCC(=O)OCCC(C)CCC=C(C)C,"InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3",XQPZQXTWYZAXAK,UHFFFAOYSA,N,Citronellyl butyrate,XQPZQXTWYZAXAK-UHFFFAOYSA-N
HMDB37228,226.193280076,C14H26O2,CC(CCOC(=O)C(C)C)CCC=C(C)C,"InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3",ZGPPERKMXSGYRK,UHFFFAOYSA,N,Citronellyl isobutyrate,ZGPPERKMXSGYRK-UHFFFAOYSA-N
HMDB37229,240.20893014,C15H28O2,CCCCC(=O)OCCC(C)CCC=C(C)C,"InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3",PFOJEJPZUVQHEH,UHFFFAOYSA,N,Citronellyl pentanoate,PFOJEJPZUVQHEH-UHFFFAOYSA-N
HMDB37230,274.193280076,C18H26O2,CC(CCOC(=O)CC1=CC=CC=C1)CCC=C(C)C,"InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3",CVJBFMVLVJZZMM,UHFFFAOYSA,N,Citronellyl alpha-toluate,CVJBFMVLVJZZMM-UHFFFAOYSA-N
HMDB37231,194.13067982,C12H18O2,CC(=O)OCC1=CCC(CC1)C(C)=C,"InChI=1S/C12H18O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4,12H,1,5-8H2,2-3H3",WTXBCFKGCNWPLS,UHFFFAOYSA,N,Perillyl acetate,WTXBCFKGCNWPLS-UHFFFAOYSA-N
HMDB37232,274.084123558,C15H14O5,OC1CC(OC2=CC(O)=CC(O)=C12)C1=CC=C(O)C=C1,"InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2",RPKUCYSGAXIESU,UHFFFAOYSA,N,"(2xi,4xi)-4,4',5,7-Tetrahydroxyflavan",RPKUCYSGAXIESU-UHFFFAOYSA-N
HMDB37233,316.203844762,C20H28O3,CC(C)C1=C(O)C(O)=C2C(CCC3C(CCCC3(C)C)C2=O)=C1,"InChI=1S/C20H28O3/c1-11(2)14-10-12-7-8-15-13(6-5-9-20(15,3)4)17(21)16(12)19(23)18(14)22/h10-11,13,15,22-23H,5-9H2,1-4H3",WIEOUDNBMYRSRD,UHFFFAOYSA,N,Rosmaridiphenol,WIEOUDNBMYRSRD-UHFFFAOYSA-N
HMDB37234,222.198365454,C15H26O,CC1(C)CC2C1CCC(C)(O)C1CCC21C,"InChI=1S/C15H26O/c1-13(2)9-11-10(13)5-8-15(4,16)12-6-7-14(11,12)3/h10-12,16H,5-9H2,1-4H3",CPLGPDHGFNXBOA,UHFFFAOYSA,N,Koraiol,CPLGPDHGFNXBOA-UHFFFAOYSA-N
HMDB37235,360.1572885,C20H24O6,CC1CC(=O)C2(O)OC3C4C2(C)C1CC1OC(=O)C=C(C(C)=C3O)C41C,"InChI=1S/C20H24O6/c1-8-5-12(21)20(24)19(4)10(8)6-13-18(3)11(7-14(22)25-13)9(2)15(23)16(26-20)17(18)19/h7-8,10,13,16-17,23-24H,5-6H2,1-4H3",WKNPIBKVHHVICI,UHFFFAOYSA,N,Quassinol,WKNPIBKVHHVICI-UHFFFAOYSA-N
HMDB37236,440.401816286,C31H52O,CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3",BDHQMRXFDYJGII,UHFFFAOYSA,N,3beta-24-Methylenecycloartan-3-ol,BDHQMRXFDYJGII-UHFFFAOYSA-N
HMDB37238,4.00260325,He,[He],InChI=1S/He,SWQJXJOGLNCZEY,UHFFFAOYSA,N,Helium,SWQJXJOGLNCZEY-UHFFFAOYSA-N
HMDB37240,39.962383123,Ar,[Ar],InChI=1S/Ar,XKRFYHLGVUSROY,UHFFFAOYSA,N,Argon,XKRFYHLGVUSROY-UHFFFAOYSA-N
HMDB37241,408.1572885,C24H24O6,CC(C)C(=O)C1=C2OC(CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O)C(C)(C)O,"InChI=1S/C24H24O6/c1-12(2)20(26)19-21(27)18-14(13-8-6-5-7-9-13)11-17(25)30-22(18)15-10-16(24(3,4)28)29-23(15)19/h5-9,11-12,16,27-28H,10H2,1-4H3",KYQBNYMPQRSMLV,UHFFFAOYSA,N,"8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one",KYQBNYMPQRSMLV-UHFFFAOYSA-N
HMDB37242,408.1572885,C24H24O6,CCCC(=O)C1=C2OC(CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O)C(C)(C)O,"InChI=1S/C24H24O6/c1-4-8-16(25)20-21(27)19-14(13-9-6-5-7-10-13)12-18(26)30-22(19)15-11-17(24(2,3)28)29-23(15)20/h5-7,9-10,12,17,27-28H,4,8,11H2,1-3H3",OBYOQQBVJXSKIF,UHFFFAOYSA,N,Mammea A/AC cyclo F,OBYOQQBVJXSKIF-UHFFFAOYSA-N
HMDB37243,314.07903818,C17H14O6,COC1=C(OC2=C(C(O)=C(O)C=C2C)C1=O)C1=CC=C(O)C=C1,"InChI=1S/C17H14O6/c1-8-7-11(19)13(20)12-14(21)17(22-2)16(23-15(8)12)9-3-5-10(18)6-4-9/h3-7,18-20H,1-2H3",BUWDKAOCACVEON,UHFFFAOYSA,N,Sylpin,BUWDKAOCACVEON-UHFFFAOYSA-N
HMDB37244,224.141244506,C13H20O3,CC1C2CC=C(CCO)C(C)CC2OC1=O,"InChI=1S/C13H20O3/c1-8-7-12-11(9(2)13(15)16-12)4-3-10(8)5-6-14/h3,8-9,11-12,14H,4-7H2,1-2H3",MOXJTUNOIGNZKZ,UHFFFAOYSA,N,"(8alpha,10beta,11beta)-3-Hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide",MOXJTUNOIGNZKZ-UHFFFAOYSA-N
HMDB37245,300.136159128,C18H20O4,CC1C(=O)C(C(=O)CCC2=CC=CC=C2)C(=O)C(C)(C)C1=O,"InChI=1S/C18H20O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3",CTSXBYQFSBUGKB,UHFFFAOYSA,N,Myrigalone A,CTSXBYQFSBUGKB-UHFFFAOYSA-N
HMDB37246,300.136159128,C18H20O4,COC1=C(C)C(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1C,"InChI=1S/C18H20O4/c1-11-16(20)15(17(21)12(2)18(11)22-3)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3",SGSWJLOWQDDBPP,UHFFFAOYSA,N,Myrigalon B,SGSWJLOWQDDBPP-UHFFFAOYSA-N
HMDB37247,340.131073744,C20H20O5,CC(C)=CCC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1,"InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3",YHWNASRGLKJRJJ,UHFFFAOYSA,N,"(S)-4',5,7-Trihydroxy-6-prenylflavanone",YHWNASRGLKJRJJ-UHFFFAOYSA-N
HMDB37249,354.110338308,C20H18O6,CC(C)=CCC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3",PGCKDCPTJAQQSQ,UHFFFAOYSA,N,Isolicoflavonol,PGCKDCPTJAQQSQ-UHFFFAOYSA-N
HMDB37250,346.10525293,C18H18O7,COC1=C(O)C2=C(C(=O)C(CC3=CC=C(O)C=C3)CO2)C(O)=C1OC,"InChI=1S/C18H18O7/c1-23-17-14(21)12-13(20)10(7-9-3-5-11(19)6-4-9)8-25-16(12)15(22)18(17)24-2/h3-6,10,19,21-22H,7-8H2,1-2H3",PGCPWPPPMWXCMG,UHFFFAOYSA,N,Muscomin,PGCPWPPPMWXCMG-UHFFFAOYSA-N
HMDB37251,316.094688244,C17H16O6,COC1=C(O)C2=C(C(O)=C1)C(=O)C(CC1=CC=C(O)C=C1)CO2,"InChI=1S/C17H16O6/c1-22-13-7-12(19)14-15(20)10(8-23-17(14)16(13)21)6-9-2-4-11(18)5-3-9/h2-5,7,10,18-19,21H,6,8H2,1H3",QALFGMCBICJHPI,UHFFFAOYSA,N,"5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone",QALFGMCBICJHPI-UHFFFAOYSA-N
HMDB37252,358.10525293,C19H18O7,COC1=C(OC(C)=O)C2=C(C(O)=C1)C(=O)C(CC1=CC=C(O)C=C1)CO2,"InChI=1S/C19H18O7/c1-10(20)26-18-15(24-2)8-14(22)16-17(23)12(9-25-19(16)18)7-11-3-5-13(21)6-4-11/h3-6,8,12,21-22H,7,9H2,1-2H3",NXGGYXKVAVMQLL,UHFFFAOYSA,N,"5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate",NXGGYXKVAVMQLL-UHFFFAOYSA-N
HMDB37253,330.110338308,C18H18O6,COC1=C(OC)C2=C(C(O)=C1)C(=O)C(CC1=CC=C(O)C=C1)CO2,"InChI=1S/C18H18O6/c1-22-14-8-13(20)15-16(21)11(9-24-18(15)17(14)23-2)7-10-3-5-12(19)6-4-10/h3-6,8,11,19-20H,7,9H2,1-2H3",GMCVGMAGOGOINY,UHFFFAOYSA,N,"5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone",GMCVGMAGOGOINY-UHFFFAOYSA-N
HMDB37254,272.068473494,C15H12O5,OC1C(OC2=CC(O)=CC=C2C1=O)C1=CC=C(O)C=C1,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H",VRTGGIJPIYOHGT,UHFFFAOYSA,N,"(2R,3R)-3,4',7-Trihydroxyflavanone",VRTGGIJPIYOHGT-UHFFFAOYSA-N
HMDB37255,282.089208936,C17H14O4,COC1=CC2=C(C(=O)C=C(O2)C2=CC=CC=C2)C(O)=C1C,"InChI=1S/C17H14O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-9,19H,1-2H3",QXJMWAGIFVRLTO,UHFFFAOYSA,N,5-Hydroxy-7-methoxy-6-methylflavone,QXJMWAGIFVRLTO-UHFFFAOYSA-N
HMDB37256,895.522402922,C54H71MgN4O6,CCC1=C(C)C2=[N]3C1=CC1=C(C)C4=C(O)C(C(=O)OC)C5=C4N1[Mg]31[N]3=C(C=C4C(C)C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C5=[N]14)C(C)=C(C=O)C3=C2,"InChI=1S/C54H72N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3;/h24,26-32,35,39,50H,12-23,25H2,1-11H3,(H2,55,56,57,58,59,61);/q;+1/p-1/b33-24+;",PMWBHPPDTLFWHV,IFOLKCQPSA,M,Chlorophyll d,PMWBHPPDTLFWHV-IFOLKCQPSA-M
HMDB37258,1120.566553744,C54H88O24,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C54H88O24/c1-49(2)14-15-54(48(70)78-46-41(69)38(66)34(62)26(20-57)73-46)23(16-49)22-8-9-29-51(5)12-11-31(50(3,4)28(51)10-13-52(29,6)53(22,7)17-30(54)59)75-47-43(77-45-40(68)37(65)33(61)25(19-56)72-45)42(35(63)27(21-58)74-47)76-44-39(67)36(64)32(60)24(18-55)71-44/h8,23-47,55-69H,9-21H2,1-7H3",OIMHYZAWACXBBH,UHFFFAOYSA,N,Araliasaponin VI,OIMHYZAWACXBBH-UHFFFAOYSA-N
HMDB37259,1298.614291796,C60H98O30,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C60H98O30/c1-55(2)13-14-60(54(80)90-51-44(78)41(75)36(70)27(19-63)83-51)24(15-55)23-7-8-31-56(3)11-10-33(57(4,22-66)30(56)9-12-58(31,5)59(23,6)16-32(60)67)86-53-48(89-50-43(77)40(74)35(69)26(18-62)82-50)47(38(72)29(21-65)85-53)88-52-45(79)46(37(71)28(20-64)84-52)87-49-42(76)39(73)34(68)25(17-61)81-49/h7,24-53,61-79H,8-22H2,1-6H3",ZDHYHPKLGQQGAP,UHFFFAOYSA,N,Araliasaponin VIII,ZDHYHPKLGQQGAP-UHFFFAOYSA-N
HMDB37260,390.152597052,C17H26O10,COC1=CC(CC(O)COC2OC(CO)C(O)C(O)C2O)=CC(O)=C1OC,"InChI=1S/C17H26O10/c1-24-11-5-8(4-10(20)16(11)25-2)3-9(19)7-26-17-15(23)14(22)13(21)12(6-18)27-17/h4-5,9,12-15,17-23H,3,6-7H2,1-2H3",OFPQILBGSKDVRR,UHFFFAOYSA,N,Todatriol glucoside,OFPQILBGSKDVRR-UHFFFAOYSA-N
HMDB37261,343.090331147,C14H17NO9,OCC1OC(OC2OC3=CC(O)=CC=C3NC2=O)C(O)C(O)C1O,"InChI=1S/C14H17NO9/c16-4-8-9(18)10(19)11(20)13(23-8)24-14-12(21)15-6-2-1-5(17)3-7(6)22-14/h1-3,8-11,13-14,16-20H,4H2,(H,15,21)",VUFDXOACUHDTLI,UHFFFAOYSA,N,DHBOA-Glc,VUFDXOACUHDTLI-UHFFFAOYSA-N
HMDB37262,387.116545897,C16H21NO10,COC1=CC=C2NC(=O)C(OC3OC(CO)C(O)C(O)C3O)OC2=C1OC,"InChI=1S/C16H21NO10/c1-23-7-4-3-6-12(13(7)24-2)26-16(14(22)17-6)27-15-11(21)10(20)9(19)8(5-18)25-15/h3-4,8-11,15-16,18-21H,5H2,1-2H3,(H,17,22)",VKCKUXJIUMKEJF,UHFFFAOYSA,N,"(R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside",VKCKUXJIUMKEJF-UHFFFAOYSA-N
HMDB37263,357.105981211,C15H19NO9,COC1=CC=C2NC(=O)C(OC3OC(CO)C(O)C(O)C3O)OC2=C1,"InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)",PMBZSEOAOIYRMW,UHFFFAOYSA,N,HMBOA-Glc,PMBZSEOAOIYRMW-UHFFFAOYSA-N
HMDB37264,225.063722467,C10H11NO5,CON1C(=O)C(O)OC2=C1C=CC(OC)=C2,"InChI=1S/C10H11NO5/c1-14-6-3-4-7-8(5-6)16-10(13)9(12)11(7)15-2/h3-5,10,13H,1-2H3",XCSFLMDXLJMLBA,UHFFFAOYSA,N,"2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one",XCSFLMDXLJMLBA-UHFFFAOYSA-N
HMDB37265,387.116545897,C16H21NO10,CON1C(=O)C(OC2OC(CO)C(O)C(O)C2O)OC2=C1C=CC(OC)=C2,"InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3",UOASSFRPBORTCT,UHFFFAOYSA,N,HDMBOA-Glc,UOASSFRPBORTCT-UHFFFAOYSA-N
HMDB37266,116.083729628,C6H12O2,CC1COC(C)(C)O1,"InChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3",ALTFLAPROMVXNX,UHFFFAOYSA,N,"2,2,4-Trimethyl-1,3-dioxolane",ALTFLAPROMVXNX-UHFFFAOYSA-N
HMDB37267,156.187800768,C11H24,CCCCCCCC(C)CC,"InChI=1S/C11H24/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-10H2,1-3H3",JJRUZTXRDDMYGM,UHFFFAOYSA,N,xi-3-Methyldecane,JJRUZTXRDDMYGM-UHFFFAOYSA-N
HMDB37268,156.187800768,C11H24,CCCCCCC(C)CCC,"InChI=1S/C11H24/c1-4-6-7-8-10-11(3)9-5-2/h11H,4-10H2,1-3H3",DVWZNKLWPILULD,UHFFFAOYSA,N,xi-4-Methyldecane,DVWZNKLWPILULD-UHFFFAOYSA-N
HMDB37269,381.045311985,C15H15N3O5S2,OCC1=C(N2C(SC1)C(NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O,"InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)",IOFHZPVEQXTSQW,UHFFFAOYSA,N,Desacetycefapirin,IOFHZPVEQXTSQW-UHFFFAOYSA-N
HMDB37270,303.256214683,C20H33NO,CC(CN1CC(C)OC(C)C1)CC1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3",RYAUSSKQMZRMAI,UHFFFAOYSA,N,Fenpropimorph,RYAUSSKQMZRMAI-UHFFFAOYSA-N
HMDB37271,194.094294314,C11H14O3,COC1=CC(\C=C\C)=CC(OC)=C1O,"InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4-7,12H,1-3H3/b5-4+",YFHOHYAUMDHSBX,SNAWJCMRSA,N,"2,6-Dimethoxy-4-(1-propenyl)phenol",YFHOHYAUMDHSBX-SNAWJCMRSA-N
HMDB37272,178.135765198,C12H18O,CCOC1=C(C)C=CC(=C1)C(C)C,"InChI=1S/C12H18O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h6-9H,5H2,1-4H3",DOTAGKFIHPPPTK,UHFFFAOYSA,N,2-Ethoxy-1-methyl-4-(1-methylethyl)benzene,DOTAGKFIHPPPTK-UHFFFAOYSA-N
HMDB37273,264.20893014,C17H28O2,CC(=O)OC12CCCC(C)(C1)CCC1C2CC1(C)C,"InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3",SJDDHMSVZMBJPH,UHFFFAOYSA,N,beta-Caryophyllene alcohol acetate,SJDDHMSVZMBJPH-UHFFFAOYSA-N
HMDB37274,182.057908808,C9H10O4,CCC(=O)OC1=C(C)OC=CC1=O,"InChI=1S/C9H10O4/c1-3-8(11)13-9-6(2)12-5-4-7(9)10/h4-5H,3H2,1-2H3",NBKYPRRBTKRGLE,UHFFFAOYSA,N,Maltol propionate,NBKYPRRBTKRGLE-UHFFFAOYSA-N
HMDB37275,196.18271539,C13H24O,CCCCCCCCCC\C=C\C=O,"InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3/b12-11+",VMUNAKQXJLHODT,VAWYXSNFSA,N,2-Tridecenal,VMUNAKQXJLHODT-VAWYXSNFSA-N
HMDB37276,154.099379692,C9H14O2,O=C1CCC2CCCCC2O1,"InChI=1S/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2",MSFLYJIWLHSQLG,UHFFFAOYSA,N,Octahydro-2H-1-benzopyran-2-one,MSFLYJIWLHSQLG-UHFFFAOYSA-N
HMDB37277,192.07864425,C11H12O3,COC1=C(OC=O)C=CC(\C=C/C)=C1,"InChI=1S/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3-8H,1-2H3/b4-3-",QUUXIMKMPYPPDM,ARJAWSKDSA,N,Isoeugenol formate,QUUXIMKMPYPPDM-ARJAWSKDSA-N
HMDB37278,282.125594442,C18H18O3,COC1=C(OC(=O)CC2=CC=CC=C2)C=CC(\C=C/C)=C1,"InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-",YYLCMLYMJHKLEJ,CLTKARDFSA,N,Isoeugenol phenylacetate,YYLCMLYMJHKLEJ-CLTKARDFSA-N
HMDB37279,238.193280076,C15H26O2,CC(CCC=C(C)C)C1CC(O)C(C)=CC1O,"InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3",FPSDOHYYKFXKFR,UHFFFAOYSA,N,"2,10-Bisaboladiene-1,4-diol",FPSDOHYYKFXKFR-UHFFFAOYSA-N
HMDB37280,152.120115134,C10H16O,CC(=O)\C=C\C1CCC1(C)C,"InChI=1S/C10H16O/c1-8(11)4-5-9-6-7-10(9,2)3/h4-5,9H,6-7H2,1-3H3/b5-4+",HTLAJCAGSLWZJN,SNAWJCMRSA,N,Junionone,HTLAJCAGSLWZJN-SNAWJCMRSA-N
HMDB37281,174.10446507,C12H14O,CC(C)\C=C(/C=O)C1=CC=CC=C1,"InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+",ULRYRAHIBWLZKC,XYOKQWHBSA,N,4-Methyl-2-phenyl-2-pentenal,ULRYRAHIBWLZKC-XYOKQWHBSA-N
HMDB37282,120.068748266,C7H8N2,CC1=CN=C(C=C)C=N1,"InChI=1S/C7H8N2/c1-3-7-5-8-6(2)4-9-7/h3-5H,1H2,2H3",JASFBLBUHWKFBZ,UHFFFAOYSA,N,2-Methyl-5-vinylpyrazine,JASFBLBUHWKFBZ-UHFFFAOYSA-N
HMDB37284,238.193280076,C15H26O2,[H][C@@]12C[C@H]3CC[C@]1(C)[C@](O)(CC[C@@H]2CO)C3(C)C,"InChI=1S/C15H26O2/c1-13(2)11-5-6-14(3)12(8-11)10(9-16)4-7-15(13,14)17/h10-12,16-17H,4-9H2,1-3H3/t10-,11-,12+,14+,15+/m1/s1",RTSORXBIZDRAMP,MUGBGTHKSA,N,"5(1->10)-Abeo-1,12-patchoulanediol",RTSORXBIZDRAMP-MUGBGTHKSA-N
HMDB37285,139.045569983,C7H9NS,CC1=NC(C)=C(S1)C=C,"InChI=1S/C7H9NS/c1-4-7-5(2)8-6(3)9-7/h4H,1H2,2-3H3",MLBCDQHOBLVBQD,UHFFFAOYSA,N,"2,4-Dimethyl-5-vinylthiazole",MLBCDQHOBLVBQD-UHFFFAOYSA-N
HMDB37286,210.161979948,C13H22O2,CC1COC(O1)\C=C(/C)CCC=C(C)C,"InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8+",DWZRENGNFQNWQZ,DHZHZOJOSA,N,Citral propylene glycol acetal,DWZRENGNFQNWQZ-DHZHZOJOSA-N
HMDB37287,135.104799421,C9H13N,CC(C)CC1=CN=CC=C1,"InChI=1S/C9H13N/c1-8(2)6-9-4-3-5-10-7-9/h3-5,7-8H,6H2,1-2H3",DEGXTCKEZCCZOP,UHFFFAOYSA,N,3-(2-Methylpropyl)pyridine,DEGXTCKEZCCZOP-UHFFFAOYSA-N
HMDB37288,158.13067982,C9H18O2,CCCCCC1OCC(C)O1,"InChI=1S/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3",GWMSIWCZZKMUQM,UHFFFAOYSA,N,"4-Methyl-2-pentyl-1,3-dioxolane",GWMSIWCZZKMUQM-UHFFFAOYSA-N
HMDB37290,151.978812326,C4H8S3,CC1SCCSS1,"InChI=1S/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3",UXPUEXDAOSQIQS,UHFFFAOYSA,N,"3-Methyl-1,2,4-trithiane",UXPUEXDAOSQIQS-UHFFFAOYSA-N
HMDB37291,135.104799421,C9H13N,CC(C)CC1=CC=CC=N1,"InChI=1S/C9H13N/c1-8(2)7-9-5-3-4-6-10-9/h3-6,8H,7H2,1-2H3",BBVSPSDWPYWMOR,UHFFFAOYSA,N,2-(2-Methylpropyl)pyridine,BBVSPSDWPYWMOR-UHFFFAOYSA-N
HMDB37292,188.120115134,C13H16O,CCCC\C(C=O)=C\C1=CC=CC=C1,"InChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10-",GFBCBQNBXRPRQD,RAXLEYEMSA,N,2-Butyl-3-phenyl-2-propen-1-al,GFBCBQNBXRPRQD-RAXLEYEMSA-N
HMDB37293,113.084063979,C6H11NO,CC(=O)C1CCCN1,"InChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-7H,2-4H2,1H3",FYCFJMPASVKULQ,UHFFFAOYSA,N,2-Acetylpyrrolidine,FYCFJMPASVKULQ-UHFFFAOYSA-N
HMDB37294,164.120115134,C11H16O,CC\C=C/CC1=C(C)C(=O)CC1,"InChI=1S/C11H16O/c1-3-4-5-6-10-7-8-11(12)9(10)2/h4-5H,3,6-8H2,1-2H3/b5-4-",GVONPEQEUQYVNH,PLNGDYQASA,N,2-Methyl-3-(2-pentenyl)-2-cyclopenten-1-one,GVONPEQEUQYVNH-PLNGDYQASA-N
HMDB37295,194.079906578,C8H18OS2,CC(O)C(C)SC(C)C(C)S,"InChI=1S/C8H18OS2/c1-5(9)7(3)11-8(4)6(2)10/h5-10H,1-4H3",PHLKBLKTWMSFGF,UHFFFAOYSA,N,3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol,PHLKBLKTWMSFGF-UHFFFAOYSA-N
HMDB37296,172.063662888,C10H8N2O,CC(=O)C1=CC2=CC=NC=C2C=N1,"InChI=1S/C10H8N2O/c1-7(13)10-4-8-2-3-11-5-9(8)6-12-10/h2-6H,1H3",VBBXXOOMKKQNNS,UHFFFAOYSA,N,"3-Acetyl-2,7-naphthyridine",VBBXXOOMKKQNNS-UHFFFAOYSA-N
HMDB37297,297.084851839,C13H15NO7,OCC1OC2C(OC(=O)N2C2=CC=CC=C2O)C(O)C1O,"InChI=1S/C13H15NO7/c15-5-8-9(17)10(18)11-12(20-8)14(13(19)21-11)6-3-1-2-4-7(6)16/h1-4,8-12,15-18H,5H2",XBYMZYWXQBJAJG,UHFFFAOYSA,N,"Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one",XBYMZYWXQBJAJG-UHFFFAOYSA-N
HMDB37298,394.178023942,C24H26O5,CC(C)=CCC1=C(O)C2=C(OC3=C(C(O)=C(CC=C(C)C)C(O)=C3C)C2=O)C=C1,"InChI=1S/C24H26O5/c1-12(2)6-8-15-9-11-17-18(21(15)26)23(28)19-22(27)16(10-7-13(3)4)20(25)14(5)24(19)29-17/h6-7,9,11,25-27H,8,10H2,1-5H3",QPSZSDVSMAQDTD,UHFFFAOYSA,N,"1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone",QPSZSDVSMAQDTD-UHFFFAOYSA-N
HMDB37299,408.1572885,C24H24O6,CC(C)=CCC1=C(O)C2=C(OC3=C(C2=O)C(CC=C(C)C)=C(C=C3)C(O)=O)C=C1O,"InChI=1S/C24H24O6/c1-12(2)5-7-14-15(24(28)29)9-10-18-20(14)23(27)21-19(30-18)11-17(25)16(22(21)26)8-6-13(3)4/h5-6,9-11,25-26H,7-8H2,1-4H3,(H,28,29)",PMZNKPZOEBJGNV,UHFFFAOYSA,N,"6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid",PMZNKPZOEBJGNV-UHFFFAOYSA-N
HMDB37300,665.357719639,C39H47N5O5,CCC(C)C(N(C)C)C(=O)N1CCCC1C(=O)NC1C(OC2=CC=C(C=C2)\C=C/NC(=O)C(CC2=CC=CC=C2)NC1=O)C1=CC=CC=C1,"InChI=1S/C39H47N5O5/c1-5-26(2)34(43(3)4)39(48)44-24-12-17-32(44)37(46)42-33-35(29-15-10-7-11-16-29)49-30-20-18-27(19-21-30)22-23-40-36(45)31(41-38(33)47)25-28-13-8-6-9-14-28/h6-11,13-16,18-23,26,31-35H,5,12,17,24-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b23-22-",JMILOTKBOBTKBB,FCQUAONHSA,N,Jubanine C,JMILOTKBOBTKBB-FCQUAONHSA-N
HMDB37301,196.146329884,C12H20O2,CC(COC(C)=O)C1CCC(C)=CC1,"InChI=1S/C12H20O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,10,12H,5-8H2,1-3H3",QUHIXSUMNSRNNP,UHFFFAOYSA,N,p-Menth-1-en-9-ol acetate,QUHIXSUMNSRNNP-UHFFFAOYSA-N
HMDB37302,152.120115134,C10H16O,CC(=C)C1=CCC(C)(O)CC1,"InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,11H,1,5-7H2,2-3H3",ZAGYKNAXCCJVSM,UHFFFAOYSA,N,"xi-p-Mentha-3,8-dien-1-ol",ZAGYKNAXCCJVSM-UHFFFAOYSA-N
HMDB37303,152.120115134,C10H16O,CC(C)C1(O)CCC(=C)C=C1,"InChI=1S/C10H16O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,6,8,11H,3,5,7H2,1-2H3",BLCSHJQURBOXAI,UHFFFAOYSA,N,"xi-p-Mentha-1(7),2-dien-4-ol",BLCSHJQURBOXAI-UHFFFAOYSA-N
HMDB37304,142.135765198,C9H18O,CC(CO)CCCC(C)=C,"InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10/h9-10H,1,4-7H2,2-3H3",GUIBQTSZYLPXBH,UHFFFAOYSA,N,"(±)-2,6-Dimethyl-6-hepten-1-ol",GUIBQTSZYLPXBH-UHFFFAOYSA-N
HMDB37305,198.161979948,C12H22O2,COC(=O)CCCCCCC\C=C\C,"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4H,5-11H2,1-2H3/b4-3+",RHRCWCJKYPOGNT,ONEGZZNKSA,N,Methyl 9-undecenoate,RHRCWCJKYPOGNT-ONEGZZNKSA-N
HMDB37306,242.224580204,C15H30O2,CCCCCCCCCC(=O)OCCCCC,"InChI=1S/C15H30O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h3-14H2,1-2H3",BGYFCELTJPRWBA,UHFFFAOYSA,N,Pentyl decanoate,BGYFCELTJPRWBA-UHFFFAOYSA-N
HMDB37307,210.161979948,C13H22O2,CCCCC\C=C\C=C\C(=O)OCCC,"InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10+",RKDOXCGYGLYOBV,BNFZFUHLSA,N,"Propyl 2,4-decadienoate",RKDOXCGYGLYOBV-BNFZFUHLSA-N
HMDB37308,208.073558872,C11H12O4,CCC(=O)C1=C(OC)C2=C(OCO2)C=C1,"InChI=1S/C11H12O4/c1-3-8(12)7-4-5-9-11(10(7)13-2)15-6-14-9/h4-5H,3,6H2,1-2H3",QMCIDBYMJALLQD,UHFFFAOYSA,N,"1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone",QMCIDBYMJALLQD-UHFFFAOYSA-N
HMDB37309,184.146329884,C11H20O2,CCCCCCC1OC(=O)CC1C,"InChI=1S/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3",XNRLAEXLQFIKEY,UHFFFAOYSA,N,5-Hexyldihydro-4-methyl-2(3H)-furanone,XNRLAEXLQFIKEY-UHFFFAOYSA-N
HMDB37310,202.193280076,C12H26O2,CCCCCCCCCC(OC)OC,"InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3",NCRNCSZWOOYBQF,UHFFFAOYSA,N,"1,1-Dimethoxydecane",NCRNCSZWOOYBQF-UHFFFAOYSA-N
HMDB37311,214.193280076,C13H26O2,CCCCCCCCCCOC(=O)CC,"InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h3-12H2,1-2H3",HUOYUOXEIKDMFT,UHFFFAOYSA,N,Decyl propionate,HUOYUOXEIKDMFT-UHFFFAOYSA-N
HMDB37312,228.20893014,C14H28O2,CCCCCCCCCCOC(=O)CCC,"InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h3-13H2,1-2H3",PUCQHFICPFUPKW,UHFFFAOYSA,N,Decyl butanoate,PUCQHFICPFUPKW-UHFFFAOYSA-N
HMDB37313,404.147117744,C21H24O8,COC1=C(OC)C=C(C=C1)C1CC(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1,"InChI=1S/C21H24O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-9,14H,10H2,1-6H3",LTRBUBSPQISFFL,UHFFFAOYSA,N,Citromitin,LTRBUBSPQISFFL-UHFFFAOYSA-N
HMDB37314,288.063388116,C15H12O6,OC1=CC(O)=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2",QBLQLKNOKUHRCH,UHFFFAOYSA,N,Norartocarpanone,QBLQLKNOKUHRCH-UHFFFAOYSA-N
HMDB37315,330.110338308,C18H18O6,COC1=CC(OC)=C(C=C1)C1CC(=O)C2=C(OC)C=C(O)C=C2O1,"InChI=1S/C18H18O6/c1-21-11-4-5-12(14(8-11)22-2)15-9-13(20)18-16(23-3)6-10(19)7-17(18)24-15/h4-8,15,19H,9H2,1-3H3",JVUGHKAZGNYYCA,UHFFFAOYSA,N,Cerasinone,JVUGHKAZGNYYCA-UHFFFAOYSA-N
HMDB37316,256.073558872,C15H12O4,OC1=CC=C(\C=C\C(=O)C2=CC=C(O)C=C2O)C=C1,"InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+",DXDRHHKMWQZJHT,FPYGCLRLSA,N,Isoliquiritigenin,DXDRHHKMWQZJHT-FPYGCLRLSA-N
HMDB37317,418.126382302,C21H22O9,OCC1OC(OC2=CC(O)=C(C=C2)C(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2/b8-3+",XQWFHGOIUZFQPJ,FPYGCLRLSA,N,Neoisoliquiritin,XQWFHGOIUZFQPJ-FPYGCLRLSA-N
HMDB37318,418.126382302,C21H22O9,OCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(O)C(O)C1O,"InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+",YNWXJFQOCHMPCK,FPYGCLRLSA,N,Isoliquiritin,YNWXJFQOCHMPCK-FPYGCLRLSA-N
HMDB37319,270.089208936,C16H14O4,COC1=C(C=CC(O)=C1)C(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C16H14O4/c1-20-16-10-13(18)7-8-14(16)15(19)9-4-11-2-5-12(17)6-3-11/h2-10,17-18H,1H3/b9-4+",PACBGANPVNHGNP,RUDMXATFSA,N,3-(4-Hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propen-1-one,PACBGANPVNHGNP-RUDMXATFSA-N
HMDB37320,286.084123558,C16H14O5,COC1=C(\C=C\C(=O)C2=CC=C(O)C=C2)C=CC(O)=C1O,"InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4+",DRDRYGIIYOPBBZ,XBXARRHUSA,N,Licochalcone B,DRDRYGIIYOPBBZ-XBXARRHUSA-N
HMDB37321,320.125988372,C17H20O6,C\C=C(/C=O)C(CC=O)CC(=O)OCCC1=CC(O)=C(O)C=C1,"InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2+",XLPXUPOZUYGVPD,XNJYKOPJSA,N,Oleacein,XLPXUPOZUYGVPD-XNJYKOPJSA-N
HMDB37322,286.084123558,C16H14O5,COC1=C(O)C2=C(OC(CC2=O)C2=CC=CC=C2)C=C1O,"InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3",QUAPPCXFYKSDSV,UHFFFAOYSA,N,Dihydrooroxylin,QUAPPCXFYKSDSV-UHFFFAOYSA-N
HMDB37323,448.07943211,C24H16O9,OC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1C1=C(O)C=C(O)C2=C1OC=CC2=O,"InChI=1S/C24H16O9/c25-11-3-1-10(2-4-11)23-21(22(31)19-14(28)7-12(26)8-17(19)33-23)20-16(30)9-15(29)18-13(27)5-6-32-24(18)20/h1-9,21,23,25-26,28-30H",WNBLZPGLZHQKPS,UHFFFAOYSA,N,"2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione",WNBLZPGLZHQKPS-UHFFFAOYSA-N
HMDB37324,331.156576993,C14H25N3O4S,CC(NC(=O)C(N)CC(O)=O)C(=O)NC1C(C)(C)SC1(C)C,"InChI=1S/C14H25N3O4S/c1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5/h7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19)",IVBOUFAWPCPFTQ,UHFFFAOYSA,N,Alitame,IVBOUFAWPCPFTQ-UHFFFAOYSA-N
HMDB37325,278.115423686,C15H18O5,CC(=O)CCC(\C=C1/C(=O)C=CC1(C)O)C(=C)C(O)=O,"InChI=1S/C15H18O5/c1-9(16)4-5-11(10(2)14(18)19)8-12-13(17)6-7-15(12,3)20/h6-8,11,20H,2,4-5H2,1,3H3,(H,18,19)/b12-8+",ARZDSTJTDVJYCF,XYOKQWHBSA,N,Achimilic acid,ARZDSTJTDVJYCF-XYOKQWHBSA-N
HMDB37326,212.141244506,C12H20O3,OC(=O)CCCCCCCC\C=C\C=O,"InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,11H,1-6,8,10H2,(H,14,15)/b9-7+",INMKWUNQKOWGEZ,VQHVLOKHSA,N,Traumatin,INMKWUNQKOWGEZ-VQHVLOKHSA-N
HMDB37327,436.428031036,C29H56O2,CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC,"InChI=1S/C29H56O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26-29(31)27-28(30)25-23-21-8-6-4-2/h3-27H2,1-2H3",LBAIIYXJLFVTRA,UHFFFAOYSA,N,"8,10-Nonacosanedione",LBAIIYXJLFVTRA-UHFFFAOYSA-N
HMDB37328,436.428031036,C29H56O2,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC,"InChI=1S/C29H56O2/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-29(31)27-28(30)25-23-21-19-17-12-10-8-6-4-2/h3-27H2,1-2H3",ODJOAWUARZQRLR,UHFFFAOYSA,N,"12,14-Nonacosanedione",ODJOAWUARZQRLR-UHFFFAOYSA-N
HMDB37329,198.161979948,C12H22O2,CCCCCCC\C=C\C(=O)OCC,"InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10+",GNJARWZWODMTDR,ZHACJKMWSA,N,Ethyl 2-decenoate,GNJARWZWODMTDR-ZHACJKMWSA-N
HMDB37330,312.099773622,C18H16O5,COC1=CC=CC(=C1)C1=CC(=O)C2=C(O1)C=CC(OC)=C2OC,"InChI=1S/C18H16O5/c1-20-12-6-4-5-11(9-12)16-10-13(19)17-14(23-16)7-8-15(21-2)18(17)22-3/h4-10H,1-3H3",XRARMLJTDKCRRO,UHFFFAOYSA,N,"3',5,6-Trimethoxyflavone",XRARMLJTDKCRRO-UHFFFAOYSA-N
HMDB37331,312.099773622,C18H16O5,COC1=CC=CC=C1C1=CC(=O)C2=C(O1)C=CC(OC)=C2OC,"InChI=1S/C18H16O5/c1-20-13-7-5-4-6-11(13)16-10-12(19)17-14(23-16)8-9-15(21-2)18(17)22-3/h4-10H,1-3H3",IQWXFMQSQNSHKI,UHFFFAOYSA,N,"2',5,6-Trimethoxyflavone",IQWXFMQSQNSHKI-UHFFFAOYSA-N
HMDB37332,478.111126168,C22H22O12,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C(O)C=C2O,"InChI=1S/C22H22O12/c1-31-13-3-2-8(4-9(13)24)14-6-11(26)16-10(25)5-12(27)20(21(16)32-14)34-22-19(30)18(29)17(28)15(7-23)33-22/h2-6,15,17-19,22-25,27-30H,7H2,1H3",JNHIUGKYXOYDMR,UHFFFAOYSA,N,8-Hydroxyluteolin 4'-methyl ether 8-glucoside,JNHIUGKYXOYDMR-UHFFFAOYSA-N
HMDB37333,558.067940724,C22H22O15S,COC1=C(OS(O)(=O)=O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C(O)C=C2O,"InChI=1S/C22H22O15S/c1-33-12-3-2-8(4-14(12)37-38(30,31)32)13-6-10(25)16-9(24)5-11(26)20(21(16)34-13)36-22-19(29)18(28)17(27)15(7-23)35-22/h2-6,15,17-19,22-24,26-29H,7H2,1H3,(H,30,31,32)",HUTZNOYDOCPVOR,UHFFFAOYSA,N,8-Hydroxyluteolin 4'-methyl ether 8-glucoside-3'-sulfate,HUTZNOYDOCPVOR-UHFFFAOYSA-N
HMDB37334,360.084517488,C18H16O8,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(O)=C(OC)C(OC)=C2O1,"InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)15(22)17(24-2)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3",BAIRXMVFPKLWSE,UHFFFAOYSA,N,Majoranin,BAIRXMVFPKLWSE-UHFFFAOYSA-N
HMDB37335,360.084517488,C18H16O8,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1,"InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3",XRHHDQSPFPQKMS,UHFFFAOYSA,N,Sudachitin,XRHHDQSPFPQKMS-UHFFFAOYSA-N
HMDB37336,522.137340918,C24H26O13,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1,"InChI=1S/C24H26O13/c1-32-13-6-9(4-5-11(13)36-24-19(30)18(29)16(27)14(8-25)37-24)12-7-10(26)15-17(28)22(33-2)20(31)23(34-3)21(15)35-12/h4-7,14,16,18-19,24-25,27-31H,8H2,1-3H3",ZSAJLBLZRADOLX,UHFFFAOYSA,N,Sudachiin A,ZSAJLBLZRADOLX-UHFFFAOYSA-N
HMDB37337,666.179599662,C30H34O17,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(OC(=O)CC(C)(O)CC(O)=O)C(OC)=C2O1,"InChI=1S/C30H34O17/c1-30(40,9-18(33)34)10-19(35)47-28-26(42-3)22(37)20-13(32)8-15(44-25(20)27(28)43-4)12-5-6-14(16(7-12)41-2)45-29-24(39)23(38)21(36)17(11-31)46-29/h5-8,17,21,23-24,29,31,36-40H,9-11H2,1-4H3,(H,33,34)",FPEYXBLVSDJZDD,UHFFFAOYSA,N,7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside,FPEYXBLVSDJZDD-UHFFFAOYSA-N
HMDB37338,492.142032366,C27H24O9,OCC1OC2=C(OC1C1=CC3=C(OC(C(CO)O3)C3=CC(O)=C(O)C=C3)C=C1)C=C(\C=C\C=O)C=C2,"InChI=1S/C27H24O9/c28-9-1-2-15-3-7-20-22(10-15)36-27(24(13-29)33-20)17-5-8-21-23(12-17)34-25(14-30)26(35-21)16-4-6-18(31)19(32)11-16/h1-12,24-27,29-32H,13-14H2/b2-1+",VDIFGESBHJLSFS,OWOJBTEDSA,N,Americanin B,VDIFGESBHJLSFS-OWOJBTEDSA-N
HMDB37339,300.063388116,C16H12O6,COC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3",RRRSSAVLTCVNIQ,UHFFFAOYSA,N,Luteolin 7-methyl ether,RRRSSAVLTCVNIQ-UHFFFAOYSA-N
HMDB37340,432.10564686,C21H20O10,OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",KMOUJOKENFFTPU,UHFFFAOYSA,N,Cosmosiin,KMOUJOKENFFTPU-UHFFFAOYSA-N
HMDB37341,474.116211546,C23H22O11,CC(=O)OC1C(O)C(O)C(CO)OC1OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C=C1,"InChI=1S/C23H22O11/c1-10(25)31-22-21(30)20(29)18(9-24)34-23(22)32-13-6-14(27)19-15(28)8-16(33-17(19)7-13)11-2-4-12(26)5-3-11/h2-8,18,20-24,26-27,29-30H,9H2,1H3",LGPATLKJAZAUNQ,UHFFFAOYSA,N,Apigenin 7-O-(2''-O-acetylglucoside),LGPATLKJAZAUNQ-UHFFFAOYSA-N
HMDB37342,474.116211546,C23H22O11,CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C23H22O11/c1-10(24)31-9-18-20(28)21(29)22(30)23(34-18)32-13-6-14(26)19-15(27)8-16(33-17(19)7-13)11-2-4-12(25)5-3-11/h2-8,18,20-23,25-26,28-30H,9H2,1H3",LYFXRHUNCZZUTQ,UHFFFAOYSA,N,Apigenin 7-O-(6''-O-acetylglucoside),LYFXRHUNCZZUTQ-UHFFFAOYSA-N
HMDB37343,516.126776232,C25H24O12,CC(=O)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C1OC(C)=O,"InChI=1S/C25H24O12/c1-11(27)33-23-22(32)20(10-26)37-25(24(23)34-12(2)28)35-15-7-16(30)21-17(31)9-18(36-19(21)8-15)13-3-5-14(29)6-4-13/h3-9,20,22-26,29-30,32H,10H2,1-2H3",RLRNEHZJFFGOEN,UHFFFAOYSA,N,"2'',3''-Diacetylcosmosiin",RLRNEHZJFFGOEN-UHFFFAOYSA-N
HMDB37344,516.126776232,C25H24O12,CC(=O)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C1OC(C)=O,"InChI=1S/C25H24O12/c1-11(27)33-23-20(10-26)37-25(22(32)24(23)34-12(2)28)35-15-7-16(30)21-17(31)9-18(36-19(21)8-15)13-3-5-14(29)6-4-13/h3-9,20,22-26,29-30,32H,10H2,1-2H3",CMWPZWGBXSNJLC,UHFFFAOYSA,N,"3'',4''-Diacetylcosmosiin",CMWPZWGBXSNJLC-UHFFFAOYSA-N
HMDB37345,594.137340918,C30H26O13,OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C1O,"InChI=1S/C30H26O13/c31-13-24-27(38)29(43-25(37)8-2-14-1-7-18(33)19(34)9-14)28(39)30(42-24)40-17-10-20(35)26-21(36)12-22(41-23(26)11-17)15-3-5-16(32)6-4-15/h1-12,24,27-35,38-39H,13H2/b8-2+",GKSHQQDCYIESFY,KRXBUXKQSA,N,3''-O-Caffeoylcosmosiin,GKSHQQDCYIESFY-KRXBUXKQSA-N
HMDB37346,518.10604079,C24H22O13,OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C1O,"InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)",JXWAQRJFONLTSI,UHFFFAOYSA,N,6''-Malonylcosmosiin,JXWAQRJFONLTSI-UHFFFAOYSA-N
HMDB37347,578.142426296,C30H26O12,OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+",WPQRDUGBKUNFJW,XCVCLJGOSA,N,Terniflorin,WPQRDUGBKUNFJW-XCVCLJGOSA-N
HMDB37348,594.137340918,C30H26O13,OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(OC(=O)\C=C/C3=CC(O)=C(O)C=C3)C=C2)C(O)C(O)C1O,"InChI=1S/C30H26O13/c31-13-24-27(37)28(38)29(39)30(43-24)41-17-10-20(34)26-21(35)12-22(42-23(26)11-17)15-3-5-16(6-4-15)40-25(36)8-2-14-1-7-18(32)19(33)9-14/h1-12,24,27-34,37-39H,13H2/b8-2-",XOUIVGIMRZSXJE,WAPJZHGLSA,N,Piperitoside,XOUIVGIMRZSXJE-WAPJZHGLSA-N
HMDB37349,578.163555668,C27H30O14,CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3",FKIYLTVJPDLUDL,UHFFFAOYSA,N,Isorhoifolin,FKIYLTVJPDLUDL-UHFFFAOYSA-N
HMDB37350,740.195249726,C36H36O17,CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(OC(=O)\C=C\C4=CC(O)=C(O)C=C4)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C36H36O17/c1-15-29(42)31(44)33(46)35(49-15)48-14-26-30(43)32(45)34(47)36(53-26)51-19-11-22(39)28-23(40)13-24(52-25(28)12-19)17-4-6-18(7-5-17)50-27(41)9-3-16-2-8-20(37)21(38)10-16/h2-13,15,26,29-39,42-47H,14H2,1H3/b9-3+",VFFCBWDFYBEZAX,YCRREMRBSA,N,Menthoside,VFFCBWDFYBEZAX-YCRREMRBSA-N
HMDB37351,330.073952802,C17H14O7,COC1=C2C(=O)C(OC)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C17H14O7/c1-22-12-6-9(18)7-13-14(12)15(21)17(23-2)16(24-13)8-3-4-10(19)11(20)5-8/h3-7,18-20H,1-2H3",AOFQCVDYMNHCKD,UHFFFAOYSA,N,Caryatin,AOFQCVDYMNHCKD-UHFFFAOYSA-N
HMDB37352,506.142426296,C24H26O12,COC1=CC(O)=CC2=C1C(=O)C(OC)=C(O2)C1=CC(O)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1,"InChI=1S/C24H26O12/c1-32-14-6-12(26)7-15-17(14)19(29)23(33-2)22(35-15)10-3-4-11(13(27)5-10)9-34-24-21(31)20(30)18(28)16(8-25)36-24/h3-7,16,18,20-21,24-28,30-31H,8-9H2,1-2H3/t16-,18-,20+,21-,24-/m1/s1",GXSXKFFHCFHOBJ,FKYCOBHJSA,N,Caryatin glucoside,GXSXKFFHCFHOBJ-FKYCOBHJSA-N
HMDB37353,756.21129372,C33H40O20,CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(C)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3",BFCXCFJUDBNEMU,UHFFFAOYSA,N,Clovin,BFCXCFJUDBNEMU-UHFFFAOYSA-N
HMDB37354,330.073952802,C17H14O7,COC1=C(OC)C=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C17H14O7/c1-22-11-4-3-8(5-12(11)23-2)17-16(21)15(20)14-10(19)6-9(18)7-13(14)24-17/h3-7,18-19,21H,1-2H3",MHALJYZRPGYQSI,UHFFFAOYSA,N,"3',4'-Di-O-methylquercetin",MHALJYZRPGYQSI-UHFFFAOYSA-N
HMDB37355,596.137734848,C26H28O16,OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OCC(O)C(O)C4O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)39-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-25-21(36)17(32)13(31)7-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2",QOTHERNBBVJOEC,UHFFFAOYSA,N,Quercetin 3-arabinoside 7-glucoside,QOTHERNBBVJOEC-UHFFFAOYSA-N
HMDB37356,626.148299534,C27H30O17,OCC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O17/c28-6-14-17(32)20(35)23(38)26(43-14)40-9-4-11(31)16-13(5-9)41-25(22(37)19(16)34)8-1-2-12(10(30)3-8)42-27-24(39)21(36)18(33)15(7-29)44-27/h1-5,14-15,17-18,20-21,23-24,26-33,35-39H,6-7H2",QZXHFNCQMMUANB,UHFFFAOYSA,N,"Quercetin 4',7-diglucoside",QZXHFNCQMMUANB-UHFFFAOYSA-N
HMDB37357,318.037567296,C15H10O8,OC1=CC(=CC(O)=C1O)C1=C(O)C(=O)C2=C(O)C=CC(O)=C2O1,"InChI=1S/C15H10O8/c16-6-1-2-7(17)15-10(6)12(21)13(22)14(23-15)5-3-8(18)11(20)9(19)4-5/h1-4,16-20,22H",JGTKWAPKKUUANC,UHFFFAOYSA,N,"3,3',4',5,5',8-Hexahydroxyflavone",JGTKWAPKKUUANC-UHFFFAOYSA-N
HMDB37358,640.163949598,C28H32O17,COC1=C(O)C2=C(C(O)=C1)C(=O)C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)=C(O2)C1=CC(O)=C(O)C=C1,"InChI=1S/C28H32O17/c1-8-16(32)20(36)22(38)27(42-8)41-7-14-17(33)21(37)23(39)28(43-14)45-26-19(35)15-12(31)6-13(40-2)18(34)25(15)44-24(26)9-3-4-10(29)11(30)5-9/h3-6,8,14,16-17,20-23,27-34,36-39H,7H2,1-2H3",AWDJLPGVCMQRAF,UHFFFAOYSA,N,Ranupenin 3-rutinoside,AWDJLPGVCMQRAF-UHFFFAOYSA-N
HMDB37359,448.100561482,C21H20O11,COC1=C2C(=O)C(OC3OCC(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C21H20O11/c1-29-13-5-9(22)6-14-15(13)17(27)20(32-21-18(28)16(26)12(25)7-30-21)19(31-14)8-2-3-10(23)11(24)4-8/h2-6,12,16,18,21-26,28H,7H2,1H3",YBUCFCOHYGARIM,UHFFFAOYSA,N,Azaleatin 3-arabinoside,YBUCFCOHYGARIM-UHFFFAOYSA-N
HMDB37360,478.111126168,C22H22O12,COC1=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C22H22O12/c1-31-12-5-9(24)6-13-15(12)17(28)21(20(32-13)8-2-3-10(25)11(26)4-8)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",HJOBXPHWOUTSLV,UHFFFAOYSA,N,Azaleatin 3-glucoside,HJOBXPHWOUTSLV-UHFFFAOYSA-N
HMDB37361,624.169034976,C28H32O16,COC1=C2C(=O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-14(39-2)6-11(29)7-15(17)42-25(26)10-3-4-12(30)13(31)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3",ZQGOPIYRGSTAIY,UHFFFAOYSA,N,Azaleatin 3-rutinoside,ZQGOPIYRGSTAIY-UHFFFAOYSA-N
HMDB37362,464.095476104,C21H20O12,OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",OVSQVDMCBVZWGM,QSOFNFLRSA,N,Isoquercitrin,OVSQVDMCBVZWGM-QSOFNFLRSA-N
HMDB37363,626.148299534,C27H30O17,OCC1OC(OC2=C(O)C=C(C=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2",RPVIQWDFJPYNJM,UHFFFAOYSA,N,"Quercetin 3,4'-diglucoside",RPVIQWDFJPYNJM-UHFFFAOYSA-N
HMDB37364,596.137734848,C26H28O16,OCC1OC(OC2=C(OC3=CC(OC4OCC(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)42-24-19(34)16-12(30)4-9(39-25-21(36)17(32)13(31)7-38-25)5-14(16)40-23(24)8-1-2-10(28)11(29)3-8/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2",PSTSYYSBVQVSOG,UHFFFAOYSA,N,Quercetin 3-glucoside 7-xyloside,PSTSYYSBVQVSOG-UHFFFAOYSA-N
HMDB37365,610.13225554,C30H26O14,OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O,"InChI=1S/C30H26O14/c31-12-21-24(38)28(43-22(37)8-3-13-1-5-15(32)6-2-13)26(40)30(42-21)44-29-25(39)23-19(36)10-16(33)11-20(23)41-27(29)14-4-7-17(34)18(35)9-14/h1-11,21,24,26,28,30-36,38,40H,12H2/b8-3+",KKRGPGRSBFMOKP,FPYGCLRLSA,N,Quercetin 3-(3-p-coumaroylglucoside),KKRGPGRSBFMOKP-FPYGCLRLSA-N
HMDB37366,506.10604079,C23H22O13,CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3",IGLUNMMNDNWZOA,UHFFFAOYSA,N,Quercetin 3-(6''-acetylglucoside),IGLUNMMNDNWZOA-UHFFFAOYSA-N
HMDB37367,616.10643472,C28H24O16,OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2",PXGWEUQZDRUMRE,UHFFFAOYSA,N,Quercetin 3-(2-galloylglucoside),PXGWEUQZDRUMRE-UHFFFAOYSA-N
HMDB37368,550.095870034,C24H22O15,OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C1O,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)",NBQPHANHNTWDML,UHFFFAOYSA,N,Quercetin 3-(6''-malonyl-glucoside),NBQPHANHNTWDML-UHFFFAOYSA-N
HMDB37369,226.193280076,C14H26O2,CCCCCCC\C=C\C(=O)OCCCC,"InChI=1S/C14H26O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h11-12H,3-10,13H2,1-2H3/b12-11+",DTCZJIDFDTTXSG,VAWYXSNFSA,N,Butyl 2-decenoate,DTCZJIDFDTTXSG-VAWYXSNFSA-N
HMDB37370,718.153384912,C36H30O16,OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C1C(C2=CC(O)=C(O)C=C2)C(=CC2=C1C(O)=C(O)C=C2)C(=O)OC(CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C36H30O16/c37-20-5-1-15(9-24(20)41)11-27(33(45)46)51-35(49)19-13-17-4-8-23(40)32(44)30(17)31(29(19)18-3-7-22(39)26(43)14-18)36(50)52-28(34(47)48)12-16-2-6-21(38)25(42)10-16/h1-10,13-14,27-29,31,37-44H,11-12H2,(H,45,46)(H,47,48)",CLZDRNKNWXDFQT,UHFFFAOYSA,N,Salvianolic acid L,CLZDRNKNWXDFQT-UHFFFAOYSA-N
HMDB37371,370.068867424,C19H14O8,COC(=O)C12OC3=CC=C(O)C=C3C1C(=O)C(O)=C2C1=CC=C(O)C(O)=C1,"InChI=1S/C19H14O8/c1-26-18(25)19-14(8-2-4-11(21)12(22)6-8)16(23)17(24)15(19)10-7-9(20)3-5-13(10)27-19/h2-7,15,20-23H,1H3",MWJUVQKVZFIANK,UHFFFAOYSA,N,Suillusin,MWJUVQKVZFIANK-UHFFFAOYSA-N
HMDB37372,270.255880332,C17H34O2,CCCCCCCCCCCC(=O)OCCC(C)C,"InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3",FVKRIDSRWFEQME,UHFFFAOYSA,N,3-Methylbutyl dodecanoate,FVKRIDSRWFEQME-UHFFFAOYSA-N
HMDB37373,756.169034976,C39H32O16,OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C39H32O16/c40-22-8-1-19(2-9-22)5-13-30(46)51-18-29-33(48)37(54-31(47)14-6-20-3-10-23(41)11-4-20)35(50)39(53-29)55-38-34(49)32-27(45)16-24(42)17-28(32)52-36(38)21-7-12-25(43)26(44)15-21/h1-17,29,33,35,37,39-45,48,50H,18H2/b13-5+,14-6+",RMWPNUYFHAPTBJ,ACFHMISVSA,N,"Quercetin 3-(3'',6''-di-p-coumarylglucoside)",RMWPNUYFHAPTBJ-ACFHMISVSA-N
HMDB37374,640.163949598,C28H32O17,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3",VKVBSQRURLRCHO,UHFFFAOYSA,N,Dactylin,VKVBSQRURLRCHO-UHFFFAOYSA-N
HMDB37375,624.169034976,C28H32O16,COC1=C(OC2OC(C)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)42-13-4-3-10(5-14(13)39-2)25-26(20(34)17-12(31)6-11(30)7-15(17)41-25)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3",GVBDKXQDCPGLFU,UHFFFAOYSA,N,Isorhamnetin 3-glucoside 4'-rhamnoside,GVBDKXQDCPGLFU-UHFFFAOYSA-N
HMDB37376,298.120509064,C18H18O4,COC1=C(C)C(O)=C(C)C(O)=C1C(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+",TZEQDSMFACWASC,MDZDMXLPSA,N,"1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one",TZEQDSMFACWASC-MDZDMXLPSA-N
HMDB37377,448.100561482,C21H20O11,OCC1OC(OC2=C(C(=O)\C=C\C3=CC=C(O)C=C3)C(=O)C=C(O)C2=O)C(O)C(O)C1O,"InChI=1S/C21H20O11/c22-8-14-17(28)18(29)19(30)21(31-14)32-20-15(12(25)7-13(26)16(20)27)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,14,17-19,21-23,26,28-30H,8H2/b6-3+",SBAFZBVZGFUKPK,ZZXKWVIFSA,N,Carthamone,SBAFZBVZGFUKPK-ZZXKWVIFSA-N
HMDB37378,346.214409448,C21H30O4,CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O,"InChI=1S/C21H30O4/c1-7-14(6)18(22)17-20(24)15(10-8-12(2)3)19(23)16(21(17)25)11-9-13(4)5/h8-9,14,23-25H,7,10-11H2,1-6H3",VXESUOYBWMDWCJ,UHFFFAOYSA,N,4-Deoxyadhumulone,VXESUOYBWMDWCJ-UHFFFAOYSA-N
HMDB37379,472.282489012,C28H40O6,CC(C1CCC2(O)C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C)C1CC(C)C(C)C(=O)O1,"InChI=1S/C28H40O6/c1-14-13-19(33-24(30)15(14)2)16(3)17-9-12-27(31)21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,14-19,21-23,31-32H,8-13H2,1-5H3",LTYSVVJJHYDSMR,UHFFFAOYSA,N,Vamonolide,LTYSVVJJHYDSMR-UHFFFAOYSA-N
HMDB37380,410.318480588,C28H42O2,CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C4=CC(=O)CCC4(C)C3CCC12C,"InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24,26,30H,9-14H2,1-6H3/b8-7+",IVVQZKHUQOPDBT,BQYQJAHWSA,N,"(6alpha,22E)-6-Hydroxy-4,7,22-ergostatrien-3-one",IVVQZKHUQOPDBT-BQYQJAHWSA-N
HMDB37381,522.282882942,C28H42O9,CC(O)(C1CCC2C3CC4OC44C(O)C(O)CC(=O)C4(C)C3CCC12C)C1CC(C)(O)C(C)(O)C(=O)O1,"InChI=1S/C28H42O9/c1-23-9-8-15-13(10-19-28(37-19)21(31)16(29)11-18(30)25(15,28)3)14(23)6-7-17(23)26(4,34)20-12-24(2,33)27(5,35)22(32)36-20/h13-17,19-21,29,31,33-35H,6-12H2,1-5H3",OREAQOXKZSQPCV,UHFFFAOYSA,N,Physangulide,OREAQOXKZSQPCV-UHFFFAOYSA-N
HMDB37382,426.349780716,C29H46O2,CC(C\C=C\C(C)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C29H46O2/c1-19(8-7-9-20(2)30)21-12-14-27(6)23-11-10-22-25(3,4)24(31)13-15-28(22)18-29(23,28)17-16-26(21,27)5/h7,9,19,21-24,31H,8,10-18H2,1-6H3/b9-7+",WNTCMDLOMSFFPE,VQHVLOKHSA,N,"(3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one",WNTCMDLOMSFFPE-VQHVLOKHSA-N
HMDB37383,526.256668192,C30H38O8,CC(C1CC(C)=C(C)C(=O)O1)C1=CC(OC(C)=O)C2(O)C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C,"InChI=1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3",PLPXOWZTDPJPHC,UHFFFAOYSA,N,Withangulatin A,PLPXOWZTDPJPHC-UHFFFAOYSA-N
HMDB37384,952.08179569,C41H28O27,OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC3C2OC(=O)C2=CC(O)=C(O)C4=C2C2C(=CC(=O)C(O)(O4)C2(O)O)C(=O)OC13,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-37(57)11-5-17(46)27(51)31-22(11)23-12(38(58)66-33)6-19(47)41(61,68-31)40(23,59)60)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2",OYPBFXPEIVEPRY,UHFFFAOYSA,N,Granatin B,OYPBFXPEIVEPRY-UHFFFAOYSA-N
HMDB37385,186.107835888,C10H18OS,CC1CCC(C(=O)C1)C(C)(C)S,"InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3",RVOKNSFEAOYULQ,UHFFFAOYSA,N,8-Mercapto-p-menthan-3-one,RVOKNSFEAOYULQ-UHFFFAOYSA-N
HMDB37386,228.118400574,C12H20O2S,C[C@H]1CC[C@@H](C(=O)C1)C(C)(C)SC(C)=O,"InChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3/t8-,10-/m0/s1",AMXPURQVAMENCC,WPRPVWTQSA,N,(S)-Menthone 8-thioacetate,AMXPURQVAMENCC-WPRPVWTQSA-N
HMDB37387,172.146329884,C10H20O2,CC(C)C1CCC(C)(O)CC1O,"InChI=1S/C10H20O2/c1-7(2)8-4-5-10(3,12)6-9(8)11/h7-9,11-12H,4-6H2,1-3H3",IIZCEIWXLSJQFP,UHFFFAOYSA,N,"(1S,3R,4R)-p-Menthane-1,3-diol",IIZCEIWXLSJQFP-UHFFFAOYSA-N
HMDB37388,182.13067982,C11H18O2,CCCCCCC1CC(=O)CC1=O,"InChI=1S/C11H18O2/c1-2-3-4-5-6-9-7-10(12)8-11(9)13/h9H,2-8H2,1H3",XVMHOOYMJFUEQW,UHFFFAOYSA,N,Tsibulin 2,XVMHOOYMJFUEQW-UHFFFAOYSA-N
HMDB37389,194.13067982,C12H18O2,CC(=C)C1CCC(C)=C(C1)OC(C)=O,"InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11H,1,5-7H2,2-4H3",JHXHCWZOYQCWJN,UHFFFAOYSA,N,"(R)-2-Acetoxy-p-mentha-1,8-diene",JHXHCWZOYQCWJN-UHFFFAOYSA-N
HMDB37390,210.161979948,C13H22O2,CCCCCCCCC1CC(=O)CC1=O,"InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-9-12(14)10-13(11)15/h11H,2-10H2,1H3",SKPOJVSKGJMOJV,UHFFFAOYSA,N,Tsibulin 1,SKPOJVSKGJMOJV-UHFFFAOYSA-N
HMDB37391,234.161979948,C15H22O2,CCCCCCCCC(=O)C1=CC=C(O)C=C1,"InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h9-12,16H,2-8H2,1H3",JZBXYOOARNRUME,UHFFFAOYSA,N,p-Hydroxynonanophenone,JZBXYOOARNRUME-UHFFFAOYSA-N
HMDB37392,220.18271539,C15H24O,CC(C)(O)C1CCC2(C)C3CCC(=C)C2C13,"InChI=1S/C15H24O/c1-9-5-6-11-12-10(14(2,3)16)7-8-15(11,4)13(9)12/h10-13,16H,1,5-8H2,2-4H3",FVPQQGXKOCOMAU,UHFFFAOYSA,N,4(15)-Copaen-11-ol,FVPQQGXKOCOMAU-UHFFFAOYSA-N
HMDB37393,236.177630012,C15H24O2,C\C(CO)=C1\CCC2(C)C3CCC(C)(O)C2C13,"InChI=1S/C15H24O2/c1-9(8-16)10-4-6-14(2)11-5-7-15(3,17)13(14)12(10)11/h11-13,16-17H,4-8H2,1-3H3/b10-9+",VCKNBYBUMOAFMV,MDZDMXLPSA,N,"(3xi,7(11)Z)-7(11)-Copaene-4,12-diol",VCKNBYBUMOAFMV-MDZDMXLPSA-N
HMDB37394,222.198365454,C15H26O,CC(C)C1CCC2(C)C3CCC(C)(O)C2C13,"InChI=1S/C15H26O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(14)12(10)11/h9-13,16H,5-8H2,1-4H3",AZCJPMYIWXNBMH,UHFFFAOYSA,N,3xi-4-Copanol,AZCJPMYIWXNBMH-UHFFFAOYSA-N
HMDB37395,220.18271539,C15H24O,CC(=C)C1CCC2(C)C3CCC(C)(O)C2C13,"InChI=1S/C15H24O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(14)12(10)11/h10-13,16H,1,5-8H2,2-4H3",DGXZNOOUXAHVAE,UHFFFAOYSA,N,11-Copaen-4-ol,DGXZNOOUXAHVAE-UHFFFAOYSA-N
HMDB37396,300.266445018,C18H36O3,CCCCCCCCC(O)CCCCCCCCC(O)=O,"InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)",PAZZVPKITDJCPV,UHFFFAOYSA,N,xi-10-Hydroxyoctadecanoic acid,PAZZVPKITDJCPV-UHFFFAOYSA-N
HMDB37397,298.28718046,C19H38O2,CC(C)CCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",YETXGSGCWODRAA,UHFFFAOYSA,N,xi-17-Methyloctadecanoic acid,YETXGSGCWODRAA-UHFFFAOYSA-N
HMDB37398,214.15689457,C12H22O3,CCCCCCC1CC(CO1)OC(C)=O,"InChI=1S/C12H22O3/c1-3-4-5-6-7-11-8-12(9-14-11)15-10(2)13/h11-12H,3-9H2,1-2H3",IAJCTZJZXRAPDK,UHFFFAOYSA,N,4-Acetoxy-2-hexyltetrahydrofuran,IAJCTZJZXRAPDK-UHFFFAOYSA-N
HMDB37399,452.13186161,C21H24O11,OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C2O[C@@H]([C@H](O)CC2=C1O)C1=CC(O)=C(O)C=C1,"InChI=1S/C21H24O11/c22-6-14-17(28)18(29)19(30)21(32-14)15-11(25)5-13-8(16(15)27)4-12(26)20(31-13)7-1-2-9(23)10(24)3-7/h1-3,5,12,14,17-30H,4,6H2/t12-,14-,17-,18+,19-,20-,21?/m1/s1",PWMSPKVTJLJDDS,NOCOPWLTSA,N,(-)-Epicatechin 6-C-glucoside,PWMSPKVTJLJDDS-NOCOPWLTSA-N
HMDB37400,452.13186161,C21H24O11,OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(C(O)C2)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C21H24O11/c22-6-14-17(28)18(29)19(30)21(32-14)15-11(25)5-13-8(16(15)27)4-12(26)20(31-13)7-1-2-9(23)10(24)3-7/h1-3,5,12,14,17-30H,4,6H2",PWMSPKVTJLJDDS,UHFFFAOYSA,N,(+)-Catechin 6-C-glucoside,PWMSPKVTJLJDDS-UHFFFAOYSA-N
HMDB37401,452.13186161,C21H24O11,OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC=C(O)C(O)=C1,"InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16-,17+,18-,19-,21?/m1/s1",XWDHVYPMZCGHNM,BESDQCQNSA,N,(-)-Epicatechin 8-C-glucoside,XWDHVYPMZCGHNM-BESDQCQNSA-N
HMDB37402,452.13186161,C21H24O11,OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(C(O)C2)C1=CC(O)=C(O)C=C1,"InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2",XWDHVYPMZCGHNM,UHFFFAOYSA,N,(+)-Catechin 8-C-glucoside,XWDHVYPMZCGHNM-UHFFFAOYSA-N
HMDB37403,740.195249726,C36H36O17,OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C2O[C@@H]([C@H](O)[C@H](C2=C1O)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23-,27+,28-,30-,31+,32-,33-,34-,36?/m1/s1",VRCSTDIDMJHJBX,XXXODXNESA,N,6-Glucopyranosylprocyanidin B2,VRCSTDIDMJHJBX-XXXODXNESA-N
HMDB37404,740.195249726,C36H36O17,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C2O[C@@H]([C@H](O)[C@H](C2=C1O)C1=C(O)C=C(O)C2=C1O[C@@H]([C@@H](O)C2)C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23+,27-,28+,30+,31-,32+,33+,34+,36-/m0/s1",VRCSTDIDMJHJBX,ZUVQFHENSA,N,6-Glucopyranosylprocyanidin B1,VRCSTDIDMJHJBX-ZUVQFHENSA-N
HMDB37405,740.195249726,C36H36O17,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2O[C@@H]([C@H](O)[C@@H](C3=C(O)C=C(O)C4=C3O[C@@H]([C@H](O)C4)C3=CC=C(O)C(O)=C3)C2=C(O)C=C1O)C1=CC=C(O)C(O)=C1,"InChI=1S/C36H36O17/c37-10-23-28(47)30(49)31(50)36(51-23)26-21(45)9-20(44)25-27(29(48)33(53-35(25)26)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-22(46)32(52-34(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,22-23,27-33,36-50H,7,10H2/t22-,23-,27+,28-,29-,30+,31-,32-,33-,36+/m1/s1",JBDZOCOBUGXPJW,LYGYLKCLSA,N,8-Glucopyranosylprocyanidin B2,JBDZOCOBUGXPJW-LYGYLKCLSA-N
HMDB37406,740.195249726,C36H36O17,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2O[C@@H]([C@H](O)[C@@H](C3=C(O)C=C(O)C4=C3O[C@@H]([C@@H](O)C4)C3=CC=C(O)C(O)=C3)C2=C(O)C=C1O)C1=CC=C(O)C(O)=C1,"InChI=1S/C36H36O17/c37-10-23-28(47)30(49)31(50)36(51-23)26-21(45)9-20(44)25-27(29(48)33(53-35(25)26)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-22(46)32(52-34(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,22-23,27-33,36-50H,7,10H2/t22-,23+,27-,28+,29+,30-,31+,32+,33+,36-/m0/s1",JBDZOCOBUGXPJW,DFVINFJYSA,N,8-Glucopyranosylprocyanidin B1,JBDZOCOBUGXPJW-DFVINFJYSA-N
HMDB37407,596.174120354,C27H32O15,OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(CC2=O)C2=CC=C(O)C=C2)C(C2OC(CO)C(O)C(O)C2O)=C1O,"InChI=1S/C27H32O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-4,11-13,17-18,21-24,26-30,32-39H,5-7H2",KLDARLGFVGIIIL,UHFFFAOYSA,N,"(2R)-6,8-Diglucopyranosyl-4',5,7-trihydroxyflavanone",KLDARLGFVGIIIL-UHFFFAOYSA-N
HMDB37408,580.142820226,C26H28O15,OCC1OC(C(O)C(O)C1O)C1=C(O)C(C2OCC(O)C(O)C2O)=C2OC(=CC(=O)C2=C1O)C1=CC(O)=C(O)C=C1,"InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)15-19(34)14-10(30)4-12(7-1-2-8(28)9(29)3-7)40-24(14)16(20(15)35)25-22(37)17(32)11(31)6-39-25/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2",XBGYTZHKGMCEGE,UHFFFAOYSA,N,Neocarlinoside,XBGYTZHKGMCEGE-UHFFFAOYSA-N
HMDB37409,624.169034976,C28H32O16,COC1=C(O)C=C(C=C1)C1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(O)C=C2O,"InChI=1S/C28H32O16/c1-41-12-3-2-8(4-9(12)31)25-17(28-24(40)22(38)19(35)14(7-30)43-28)20(36)15-10(32)5-11(33)16(26(15)44-25)27-23(39)21(37)18(34)13(6-29)42-27/h2-5,13-14,18-19,21-24,27-35,37-40H,6-7H2,1H3",OZSVEJJFZRCNON,UHFFFAOYSA,N,"3,8-Diglucosyldiosmetin",OZSVEJJFZRCNON-UHFFFAOYSA-N
HMDB37410,624.169034976,C28H32O16,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O1,"InChI=1S/C28H32O16/c1-41-11-3-2-8(4-9(11)31)12-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-12)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3",GEFQDWALEWZTAR,UHFFFAOYSA,N,"6,8-Diglucosyldiosmetin",GEFQDWALEWZTAR-UHFFFAOYSA-N
HMDB37411,756.21129372,C33H40O20,CC1OC(OC2=C(C3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)C=C(OC3=C2C2OC(CO)C(O)C(O)C2O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H40O20/c1-8-19(39)23(43)28(48)33(49-8)53-30-17(31-26(46)24(44)20(40)14(6-34)51-31)22(42)16-12(38)5-13(9-2-3-10(36)11(37)4-9)50-29(16)18(30)32-27(47)25(45)21(41)15(7-35)52-32/h2-5,8,14-15,19-21,23-28,31-37,39-48H,6-7H2,1H3",JGKAYWDKUOHFBC,UHFFFAOYSA,N,"Lucenin 2,7-O-rhamnoside",JGKAYWDKUOHFBC-UHFFFAOYSA-N
HMDB37412,594.15847029,C27H30O15,OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(C3=CC=C(O)C=C3)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1O,"InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)14-10(31)5-11-15(19(14)34)20(35)16(25(40-11)8-1-3-9(30)4-2-8)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-34,36-39H,6-7H2",LXJLIJWTKFLSRJ,UHFFFAOYSA,N,"3,6-Diglucopyranosyl-4',5,7-trihydroxyflavone",LXJLIJWTKFLSRJ-UHFFFAOYSA-N
HMDB37413,608.174120354,C28H32O15,COC1=CC=C(C=C1)C1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C=C(O)C(C1OC(CO)C(O)C(O)C1O)=C2O,"InChI=1S/C28H32O15/c1-40-10-4-2-9(3-5-10)26-17(28-25(39)23(37)19(33)14(8-30)43-28)21(35)16-12(41-26)6-11(31)15(20(16)34)27-24(38)22(36)18(32)13(7-29)42-27/h2-6,13-14,18-19,22-25,27-34,36-39H,7-8H2,1H3",RRYBNEMBSQZZBH,UHFFFAOYSA,N,"3,6-Diglucopyranosyl-5,7-dihydroxy-4'-methoxyflavone",RRYBNEMBSQZZBH-UHFFFAOYSA-N
HMDB37414,608.174120354,C28H32O15,COC1=C(C2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C2=C(C(=O)C=C(O2)C2=CC=C(O)C=C2)C(O)=C1C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C28H32O15/c1-40-25-16(27-23(38)21(36)18(33)13(7-29)42-27)20(35)15-11(32)6-12(9-2-4-10(31)5-3-9)41-26(15)17(25)28-24(39)22(37)19(34)14(8-30)43-28/h2-6,13-14,18-19,21-24,27-31,33-39H,7-8H2,1H3/t13-,14-,18-,19+,21+,22+,23-,24-,27?,28?/m1/s1",GHHBRJNUNAWXEV,QVCVYZROSA,N,"8-Galactopyranosyl-6-glucopyranosyl-4',5-dihydroxy-7-methoxyflavone",GHHBRJNUNAWXEV-QVCVYZROSA-N
HMDB37415,592.179205732,C28H32O14,COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1,"InChI=1S/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-14(31)8-16-18(22(19)34)13(30)7-15(40-16)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3",JIKPWRRUSIBFLE,UHFFFAOYSA,N,Isomargaritene,JIKPWRRUSIBFLE-UHFFFAOYSA-N
HMDB37416,608.174120354,C28H32O15,COC1=CC(O)=C2C(=O)C=C(OC2=C1C1OC(CO)C(O)C(O)C1O)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C28H32O15/c1-39-15-7-13(32)18-12(31)6-14(41-26(18)19(15)27-24(37)22(35)20(33)16(8-29)42-27)10-2-4-11(5-3-10)40-28-25(38)23(36)21(34)17(9-30)43-28/h2-7,16-17,20-25,27-30,32-38H,8-9H2,1H3",ZCDDNVDFOHBRBE,UHFFFAOYSA,N,Isoswertisin 4'-glucoside,ZCDDNVDFOHBRBE-UHFFFAOYSA-N
HMDB37417,592.179205732,C28H32O14,COC1=C(C2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=C(O)C=C1,"InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-16(38-2)8-14(32)18-13(31)7-15(40-25(18)19)11-3-5-12(30)6-4-11/h3-8,10,17,20-24,26-30,32-37H,9H2,1-2H3",HFUYHHROXLKXRR,UHFFFAOYSA,N,Isowertin 2''-rhamnoside,HFUYHHROXLKXRR-UHFFFAOYSA-N
HMDB37418,562.168641046,C27H30O13,COC1=CC(O)=C2C(=O)C=C(OC2=C1C1OCC(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1=CC=C(O)C=C1,"InChI=1S/C27H30O13/c1-10-20(32)22(34)23(35)27(38-10)40-26-21(33)15(31)9-37-25(26)19-17(36-2)8-14(30)18-13(29)7-16(39-24(18)19)11-3-5-12(28)6-4-11/h3-8,10,15,20-23,25-28,30-35H,9H2,1-2H3",JNFIIHAPWGTZJC,UHFFFAOYSA,N,Molludistin 2''-rhamnoside,JNFIIHAPWGTZJC-UHFFFAOYSA-N
HMDB37419,576.147905604,C27H28O14,CC1OC(OC2C(O)C(=O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19,22-29,31-32,34-37H,1-2H3",GKLSYIMLZDYQBJ,UHFFFAOYSA,N,Maysin,GKLSYIMLZDYQBJ-UHFFFAOYSA-N
HMDB37420,590.163555668,C28H30O14,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(C3OC(C)C(=O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1,"InChI=1S/C28H30O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20,23-29,31-32,34-37H,1-3H3",OKTXLUXOQRQVRH,UHFFFAOYSA,N,Maysin 3'-methyl ether,OKTXLUXOQRQVRH-UHFFFAOYSA-N
HMDB37421,560.152990982,C27H28O13,CC1OC(OC2C(O)C(=O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19,22-28,30-31,33-36H,1-2H3",LCQVQAZLYBJMGJ,UHFFFAOYSA,N,Apimaysin,LCQVQAZLYBJMGJ-UHFFFAOYSA-N
HMDB37422,624.169034976,C28H32O16,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2O1,"InChI=1S/C28H32O16/c1-40-14-4-9(2-3-10(14)31)13-5-11(32)18-15(41-13)6-12(33)19(22(18)36)26-27(24(38)21(35)16(7-29)42-26)44-28-25(39)23(37)20(34)17(8-30)43-28/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3",AQQFWSYLUDMDBP,UHFFFAOYSA,N,Isoscoparin 2''-O-glucoside,AQQFWSYLUDMDBP-UHFFFAOYSA-N
HMDB37423,770.205814412,C37H38O18,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3OC3OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C(O)C3O)=C(O)C=C2O1,"InChI=1S/C37H38O18/c1-50-22-10-16(5-8-18(22)40)21-11-19(41)27-23(52-21)12-20(42)28(31(27)46)35-36(33(48)29(44)24(13-38)53-35)55-37-34(49)32(47)30(45)25(54-37)14-51-26(43)9-4-15-2-6-17(39)7-3-15/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-4+",PLLYYRRPIIWFON,RUDMXATFSA,N,Isoscoparin 2''-(6-(E)-p-coumaroylglucoside),PLLYYRRPIIWFON-RUDMXATFSA-N
HMDB37424,352.094688244,C20H16O6,CC1(C)OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2C=C1)C1=CC=C(O)C=C1,"InChI=1S/C20H16O6/c1-20(2)8-7-12-14(26-20)9-13(22)15-16(23)17(24)18(25-19(12)15)10-3-5-11(21)6-4-10/h3-9,21-22,24H,1-2H3",OKQQXHUICMLKQI,UHFFFAOYSA,N,Citrusinol,OKQQXHUICMLKQI-UHFFFAOYSA-N
HMDB37425,352.094688244,C20H16O6,CC1(C)OC2=CC3=C(C(O)=C2C=C1)C(=O)C=C(O3)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-9,21-22,24H,1-2H3",LXEJWVDCRDILQQ,UHFFFAOYSA,N,Cycloartocarpesin,LXEJWVDCRDILQQ-UHFFFAOYSA-N
HMDB37426,594.15847029,C27H30O15,CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3",JYXSWDCPHRTYGU,UHFFFAOYSA,N,Astragalin 7-rhamnoside,JYXSWDCPHRTYGU-UHFFFAOYSA-N
HMDB37427,756.21129372,C33H40O20,CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(47-10)48-13-6-14(37)18-15(7-13)49-28(11-2-4-12(36)5-3-11)29(22(18)41)52-33-30(25(44)21(40)17(9-35)51-33)53-32-27(46)24(43)20(39)16(8-34)50-32/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3",VRYWDBDPXMHHGE,UHFFFAOYSA,N,Kaempferol 3-sophoroside 7-rhamnoside,VRYWDBDPXMHHGE-UHFFFAOYSA-N
HMDB37428,918.26411715,C39H50O25,CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C39H50O25/c1-11-21(45)26(50)30(54)36(56-11)57-14-6-15(44)20-16(7-14)58-32(12-2-4-13(43)5-3-12)33(25(20)49)62-38-35(29(53)24(48)18(9-41)60-38)64-39-34(28(52)23(47)19(10-42)61-39)63-37-31(55)27(51)22(46)17(8-40)59-37/h2-7,11,17-19,21-24,26-31,34-48,50-55H,8-10H2,1H3",BFCBWGVCQKVMCS,UHFFFAOYSA,N,Kaempferol 3-sophorotrioside 7-rhamnoside,BFCBWGVCQKVMCS-UHFFFAOYSA-N
HMDB37429,448.100561482,C21H20O11,OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",JPUKWEQWGBDDQB,QSOFNFLRSA,N,Astragalin,JPUKWEQWGBDDQB-QSOFNFLRSA-N
HMDB37430,580.142820226,C26H28O15,OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O,"InChI=1S/C26H28O15/c27-7-15-17(32)19(34)22(41-25-23(35)26(36,8-28)9-37-25)24(39-15)40-21-18(33)16-13(31)5-12(30)6-14(16)38-20(21)10-1-3-11(29)4-2-10/h1-6,15,17,19,22-25,27-32,34-36H,7-9H2",MNBRHJWOHPGQIW,UHFFFAOYSA,N,Kaempferol 3-[apiosyl-(1->2)-galactoside],MNBRHJWOHPGQIW-UHFFFAOYSA-N
HMDB37431,610.153384912,C27H30O16,OCC1OC(OC2=CC=C(C=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O,"InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-3-1-9(2-4-11)24-25(19(34)16-12(31)5-10(30)6-13(16)40-24)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2",CRHCCDOCWGWLSH,UHFFFAOYSA,N,Allivicin,CRHCCDOCWGWLSH-UHFFFAOYSA-N
HMDB37432,740.216379098,C33H40O19,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)52-30-25(43)20(38)11(2)48-33(30)46-9-17-21(39)24(42)27(45)32(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3",WQRYALSJYYLFRY,UHFFFAOYSA,N,Kaempferol 3-(2''-rhamnosylrutinoside),WQRYALSJYYLFRY-UHFFFAOYSA-N
HMDB37433,610.153384912,C27H30O16,OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2",XFFQVRFGLSBFON,UHFFFAOYSA,N,Paeonoside,XFFQVRFGLSBFON-UHFFFAOYSA-N
HMDB37434,534.100955412,C24H22O14,OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C1O,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",XEXCLTHHXIWUHO,UHFFFAOYSA,N,6''-Malonylastragalin,XEXCLTHHXIWUHO-UHFFFAOYSA-N
HMDB37435,740.174120354,C39H32O15,OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C39H32O15/c40-19-29-36(52-30(46)15-5-20-1-9-23(41)10-2-20)34(49)38(53-31(47)16-6-21-3-11-24(42)12-4-21)39(51-29)54-37-33(48)32-27(45)17-26(44)18-28(32)50-35(37)22-7-13-25(43)14-8-22/h1-18,29,34,36,38-45,49H,19H2/b15-5+,16-6+",FVUOCOCBVMNVGQ,IAGONARPSA,N,"2'',4''-Bis-O-(4-hydroxycinnamoyl)astragalin",FVUOCOCBVMNVGQ-IAGONARPSA-N
HMDB37436,740.174120354,C39H32O15,OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O,"InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)35(49)38(53-31(46)16-6-21-3-11-24(41)12-4-21)39(52-29)54-37-34(48)32-27(44)17-26(43)18-28(32)51-36(37)22-7-13-25(42)14-8-22/h1-18,29,33,35,38-44,47,49H,19H2/b15-5+,16-6+",YXXQUJGFZPLXJV,IAGONARPSA,N,Kaempferol 3-(2\\,"6""-di-(E)-p-coumarylglucoside)""",YXXQUJGFZPLXJV-IAGONARPSA-N
HMDB37437,756.190164348,C36H36O18,OCC1OC(OC2=CC=C(C=C2)C2=C(OC3OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O,"InChI=1S/C36H36O18/c37-13-22-26(42)29(45)31(47)35(52-22)50-19-8-4-16(5-9-19)33-34(28(44)25-20(40)11-18(39)12-21(25)51-33)54-36-32(48)30(46)27(43)23(53-36)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2/b10-3+",GTTHRFWSXLOEPD,XCVCLJGOSA,N,6''-(4-Hydroxycinnamoyl)astragalin 4'-glucoside,GTTHRFWSXLOEPD-XCVCLJGOSA-N
HMDB37438,578.163555668,C27H30O14,CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(C)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3",PUPKKEQDLNREIM,UHFFFAOYSA,N,Kaempferitrin,PUPKKEQDLNREIM-UHFFFAOYSA-N
HMDB37439,600.111520098,C28H24O15,OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C1O,"InChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)26-24(37)22(35)19-14(30)7-13(8-17(19)42-26)41-28-25(38)23(36)21(34)18(43-28)9-40-27(39)11-5-15(31)20(33)16(32)6-11/h1-8,18,21,23,25,28-34,36-38H,9H2",PJGFYRIIZPHDJQ,UHFFFAOYSA,N,Kaempferol 7-(6''-galloylglucoside),PJGFYRIIZPHDJQ-UHFFFAOYSA-N
HMDB37440,978.26411715,C44H50O25,COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)25(14-46)65-43(40)69-41-36(58)32(54)26(15-47)66-44(41)68-39-33(55)28-20(49)11-19(62-42-37(59)34(56)30(52)24(13-45)64-42)12-21(28)63-38(39)17-4-6-18(48)7-5-17/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3/b8-3+",YXXQWPJFPHUNRF,FPYGCLRLSA,N,Kaempferol 3-(2'''-sinapoylsophoroside) 7-glucoside,YXXQWPJFPHUNRF-FPYGCLRLSA-N
HMDB37441,300.063388116,C16H12O6,COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3",SQFSKOYWJBQGKQ,UHFFFAOYSA,N,Kaempferide,SQFSKOYWJBQGKQ-UHFFFAOYSA-N
HMDB37443,624.169034976,C28H32O16,COC1=C(OC2OC(C)C(O)C(O)C2O)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=C(OC1OC(CO)C(O)C(O)C1O)C2=O,"InChI=1S/C28H32O16/c1-9-16(32)19(35)21(37)27(40-9)41-13-7-12(31)15-18(34)26(44-28-22(38)20(36)17(33)14(8-29)42-28)23(43-25(15)24(13)39-2)10-3-5-11(30)6-4-10/h3-7,9,14,16-17,19-22,27-33,35-38H,8H2,1-2H3",LSHYTUQCUQMUJP,UHFFFAOYSA,N,Sexangularetin 3-glucoside 7-rhamnoside,LSHYTUQCUQMUJP-UHFFFAOYSA-N
HMDB37444,406.178023942,C25H26O5,CC(C)=CCC1=C(O)C2=C(OC(CC2=O)C2=CC=C(O)C=C2)C2=C1OC(C)(C)C=C2,"InChI=1S/C25H26O5/c1-14(2)5-10-17-22(28)21-19(27)13-20(15-6-8-16(26)9-7-15)29-24(21)18-11-12-25(3,4)30-23(17)18/h5-9,11-12,20,26,28H,10,13H2,1-4H3",TXWYWZHIUMRYOS,UHFFFAOYSA,N,(S)-Cajaflavanone,TXWYWZHIUMRYOS-UHFFFAOYSA-N
HMDB37445,324.136159128,C20H20O4,CC(C)=CCC1=C(O)C2=C(OC(CC2=O)C2=CC=CC=C2)C=C1O,"InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-18-19(20(14)23)16(22)11-17(24-18)13-6-4-3-5-7-13/h3-8,10,17,21,23H,9,11H2,1-2H3",UOWOIGNEFLTNAW,UHFFFAOYSA,N,"(S)-5,7-Dihydroxy-6-prenylflavanone",UOWOIGNEFLTNAW-UHFFFAOYSA-N
HMDB37446,594.15847029,C27H30O15,CC1OC(OC2C(O)C(O)C(CO)OC2C2=C(O)C=C(O)C3=C2OC(=CC3=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O15/c1-8-19(34)21(36)23(38)27(39-8)42-26-22(37)20(35)16(7-28)41-25(26)18-13(32)5-12(31)17-14(33)6-15(40-24(17)18)9-2-3-10(29)11(30)4-9/h2-6,8,16,19-23,25-32,34-38H,7H2,1H3",TVSBSLGTNMNUBC,UHFFFAOYSA,N,Orientin 2''-rhamnoside,TVSBSLGTNMNUBC-UHFFFAOYSA-N
HMDB37447,594.15847029,C27H30O15,CC1OC(OC2=C(C3OC(CO)C(O)C(O)C3O)C3=C(C(O)=C2)C(=O)C=C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O15/c1-8-19(33)21(35)24(38)27(39-8)42-15-6-13(32)17-12(31)5-14(9-2-3-10(29)11(30)4-9)40-25(17)18(15)26-23(37)22(36)20(34)16(7-28)41-26/h2-6,8,16,19-24,26-30,32-38H,7H2,1H3",WNHQLQDLHBPVNM,UHFFFAOYSA,N,Orientin 7-rhamnoside,WNHQLQDLHBPVNM-UHFFFAOYSA-N
HMDB37448,608.174120354,C28H32O15,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)=C(O)C=C2O,"InChI=1S/C28H32O15/c1-9-20(34)22(36)24(38)28(40-9)43-27-23(37)21(35)17(8-29)42-26(27)19-13(32)6-12(31)18-14(33)7-16(41-25(18)19)10-3-4-15(39-2)11(30)5-10/h3-7,9,17,20-24,26-32,34-38H,8H2,1-2H3",TZPXUQWBAIYNEA,UHFFFAOYSA,N,Diosmetin 8-C-(2''-rhamnosylglucoside),TZPXUQWBAIYNEA-UHFFFAOYSA-N
HMDB37449,462.116211546,C22H22O11,COC1=C(C2OC(CO)C(O)C(O)C2O)C2=C(C(O)=C1)C(=O)C=C(O2)C1=CC(O)=C(O)C=C1,"InChI=1S/C22H22O11/c1-31-14-6-12(27)16-11(26)5-13(8-2-3-9(24)10(25)4-8)32-21(16)17(14)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-25,27-30H,7H2,1H3",BRYZTZMVXZZLPD,UHFFFAOYSA,N,Isoswertiajaponin,BRYZTZMVXZZLPD-UHFFFAOYSA-N
HMDB37450,476.13186161,C23H24O11,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(OC)C=C2O,"InChI=1S/C23H24O11/c1-31-14-5-9(3-4-10(14)25)13-6-11(26)17-12(27)7-15(32-2)18(22(17)33-13)23-21(30)20(29)19(28)16(8-24)34-23/h3-7,16,19-21,23-25,27-30H,8H2,1-2H3",SFCOOUKNSXBTFD,UHFFFAOYSA,N,"Orientin 7,3'-dimethyl ether",SFCOOUKNSXBTFD-UHFFFAOYSA-N
HMDB37451,462.116211546,C22H22O11,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3",WKUHPOMCLBLCOV,UHFFFAOYSA,N,Diosmetin 7-O-beta-D-glucopyranoside,WKUHPOMCLBLCOV-UHFFFAOYSA-N
HMDB37452,476.095476104,C22H20O12,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1,"InChI=1S/C22H20O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)",XCKMDTYMOHXUHG,UHFFFAOYSA,N,Diosmetin 7-O-beta-D-glucuronopyranoside,XCKMDTYMOHXUHG-UHFFFAOYSA-N
HMDB37453,608.174120354,C28H32O15,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-16(42-18(20)7-12)11-3-4-13(29)17(5-11)38-2/h3-8,10,19,21-30,32-37H,9H2,1-2H3",FVWCQCCVDNGNPX,UHFFFAOYSA,N,Chrysoeriol 7-rutinoside,FVWCQCCVDNGNPX-UHFFFAOYSA-N
HMDB37454,594.15847029,C27H30O15,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C=C2O1,"InChI=1S/C27H30O15/c1-37-17-4-11(2-3-13(17)30)16-7-15(32)20-14(31)5-12(6-18(20)40-16)39-25-23(22(34)21(33)19(8-28)41-25)42-26-24(35)27(36,9-29)10-38-26/h2-7,19,21-26,28-31,33-36H,8-10H2,1H3",GYQQQCVFOLKXGH,UHFFFAOYSA,N,Graveobioside B,GYQQQCVFOLKXGH-UHFFFAOYSA-N
HMDB37455,548.116605476,C25H24O14,COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O,"InChI=1S/C25H24O14/c1-35-16-4-10(2-3-12(16)26)15-7-14(28)21-13(27)5-11(6-17(21)38-15)37-25-24(34)23(33)22(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,22-27,32-34H,8-9H2,1H3,(H,29,30)/t18-,22-,23+,24-,25-/m1/s1",PLQBKZOSLQNLOX,GOZZSVHWSA,N,Chrysoeriol 7-O-(6''-malonyl-glucoside),PLQBKZOSLQNLOX-GOZZSVHWSA-N
HMDB37456,372.120902994,C20H20O7,COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=CC(OC)=C2O1,"InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)17-20(26-5)16(21)15-18(25-4)13(23-2)10-14(24-3)19(15)27-17/h6-10H,1-5H3",JPQBOQRCDMMBBM,UHFFFAOYSA,N,"3,4',5,6,8-Pentamethoxyflavone",JPQBOQRCDMMBBM-UHFFFAOYSA-N
HMDB37457,522.100955412,C23H22O14,COC1=C(O)C2=C(OC(C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=C3)=C(OC)C2=O)C=C1O,"InChI=1S/C23H22O14/c1-33-19-9(25)6-11-12(13(19)26)14(27)20(34-2)18(35-11)7-3-4-10(8(24)5-7)36-23-17(30)15(28)16(29)21(37-23)22(31)32/h3-6,15-17,21,23-26,28-30H,1-2H3,(H,31,32)/t15-,16-,17+,21-,23+/m0/s1",YIDAQAJEKNRLJS,QJAHINBCSA,N,Spinatoside,YIDAQAJEKNRLJS-QJAHINBCSA-N
HMDB37458,328.094688244,C18H16O6,COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2O,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)14-8-12(19)16-13(20)9-15(22-2)17(23-3)18(16)24-14/h4-9,20H,1-3H3",RRZRJBICWWNHRB,UHFFFAOYSA,N,"5-Hydroxy-4',7,8-trimethoxyflavone",RRZRJBICWWNHRB-UHFFFAOYSA-N
HMDB37459,492.090390726,C22H20O13,COC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C(O)=C2)C=C1OC1OC(C(O)C(O)C1O)C(O)=O,"InChI=1S/C22H20O13/c1-32-19-13(34-22-18(29)16(27)17(28)20(35-22)21(30)31)6-12-14(15(19)26)10(25)5-11(33-12)7-2-3-8(23)9(24)4-7/h2-6,16-18,20,22-24,26-29H,1H3,(H,30,31)",UWBKEKWTUMGDCN,UHFFFAOYSA,N,6-Methoxyluteolin 7-glucuronide,UWBKEKWTUMGDCN-UHFFFAOYSA-N
HMDB37460,682.138128778,C29H30O19,COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3OC3OC(C(O)C(O)C3O)C(O)=O)C(O)=O)C=C2O1,"InChI=1S/C29H30O19/c1-42-14-3-8(4-15(43-2)17(14)32)12-7-11(31)16-10(30)5-9(6-13(16)45-12)44-29-25(21(36)20(35)24(47-29)27(40)41)48-28-22(37)18(33)19(34)23(46-28)26(38)39/h3-7,18-25,28-30,32-37H,1-2H3,(H,38,39)(H,40,41)",RDNMWJOGZVGRGW,UHFFFAOYSA,N,Tricin 7-diglucuronoside,RDNMWJOGZVGRGW-UHFFFAOYSA-N
HMDB37461,652.163949598,C29H32O17,COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(O)=O)C=C2O1,"InChI=1S/C29H32O17/c1-9-19(32)21(34)24(37)28(42-9)46-26-23(36)22(35)25(27(38)39)45-29(26)43-11-6-12(30)18-13(31)8-14(44-15(18)7-11)10-4-16(40-2)20(33)17(5-10)41-3/h4-9,19,21-26,28-30,32-37H,1-3H3,(H,38,39)",CFWKEIXHBVWGIW,UHFFFAOYSA,N,Tricin 7-[rhamnosyl-(1->2)-galacturonide],CFWKEIXHBVWGIW-UHFFFAOYSA-N
HMDB37462,638.18468504,C29H34O16,COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1,"InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3",AIBMPOJXBGZIPQ,UHFFFAOYSA,N,Tricin 7-neohesperidoside,AIBMPOJXBGZIPQ-UHFFFAOYSA-N
HMDB37463,754.21089979,C37H38O17,COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C=C2)C(O)=C1C1OC(CO)C(O)C(O)C1OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C37H38O17/c1-49-22-13-23-27(20(41)12-21(51-23)17-5-9-19(40)10-6-17)31(45)28(22)35-36(33(47)29(43)24(14-38)52-35)54-37-34(48)32(46)30(44)25(53-37)15-50-26(42)11-4-16-2-7-18(39)8-3-16/h2-13,24-25,29-30,32-40,43-48H,14-15H2,1H3/b11-4+",GIFDFLYIKYFTAD,NYYWCZLTSA,N,Spinosin C,GIFDFLYIKYFTAD-NYYWCZLTSA-N
HMDB37464,784.221464476,C38H40O18,COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C=C2)C(O)=C1C1OC(CO)C(O)C(O)C1OC1OC(COC(=O)\C=C\C2=CC(OC)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C38H40O18/c1-50-22-11-16(3-9-19(22)41)4-10-27(43)52-15-26-31(45)33(47)35(49)38(55-26)56-37-34(48)30(44)25(14-39)54-36(37)29-23(51-2)13-24-28(32(29)46)20(42)12-21(53-24)17-5-7-18(40)8-6-17/h3-13,25-26,30-31,33-41,44-49H,14-15H2,1-2H3/b10-4+",WZAXZHIVHPRTIU,ONNFQVAWSA,N,Spinosin B,WZAXZHIVHPRTIU-ONNFQVAWSA-N
HMDB37465,814.232029162,C39H42O19,COC1=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C4=C(OC(=CC4=O)C4=CC=C(O)C=C4)C=C3OC)C(O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C39H42O19/c1-51-21-13-22-28(19(42)12-20(55-22)17-5-7-18(41)8-6-17)33(47)29(21)37-38(35(49)31(45)25(14-40)56-37)58-39-36(50)34(48)32(46)26(57-39)15-54-27(43)9-4-16-10-23(52-2)30(44)24(11-16)53-3/h4-13,25-26,31-32,34-41,44-50H,14-15H2,1-3H3/b9-4+",BFWPTYMTWQBGHH,RUDMXATFSA,N,Spinosin A,BFWPTYMTWQBGHH-RUDMXATFSA-N
HMDB37466,418.089996796,C20H18O10,OC1COC(OC2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)13-5-10(22)15-14(29-13)6-11(23)19(17(15)26)30-20-18(27)16(25)12(24)7-28-20/h1-6,12,16,18,20-21,23-27H,7H2",SMAOYVRZZNEFSX,UHFFFAOYSA,N,Scutellarein 6-xyloside,SMAOYVRZZNEFSX-UHFFFAOYSA-N
HMDB37467,638.18468504,C29H34O16,COC1=CC(O)=C2C(=O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC2=C1)C1=CC=C(O)C(OC)=C1,"InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-13(30)15(6-11)40-3/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3",JUIYKRQGQJORHH,UHFFFAOYSA,N,Rhamnazin 3-rutinoside,JUIYKRQGQJORHH-UHFFFAOYSA-N
HMDB37468,508.121690854,C23H24O13,COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O,"InChI=1S/C23H24O13/c1-32-11-5-8(3-4-9(11)25)20-22(36-23-19(31)18(30)15(27)13(7-24)35-23)17(29)14-12(34-20)6-10(26)21(33-2)16(14)28/h3-6,13,15,18-19,23-28,30-31H,7H2,1-2H3",MPUCOEGUJZQKTC,UHFFFAOYSA,N,Spinacetin 3-glucoside,MPUCOEGUJZQKTC-UHFFFAOYSA-N
HMDB37469,670.174514284,C29H34O18,COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O,"InChI=1S/C29H34O18/c1-41-12-5-9(3-4-10(12)31)25-27(20(36)16-13(44-25)6-11(32)26(42-2)19(16)35)47-29-24(40)22(38)18(34)15(46-29)8-43-28-23(39)21(37)17(33)14(7-30)45-28/h3-6,14-15,17-18,21-24,28-35,37-40H,7-8H2,1-2H3",ZZNVCZGRNCQHCQ,UHFFFAOYSA,N,Spinacetin 3-gentiobioside,ZZNVCZGRNCQHCQ-UHFFFAOYSA-N
HMDB37470,654.179599662,C29H34O17,COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O,"InChI=1S/C29H34O17/c1-9-17(32)21(36)23(38)28(43-9)42-8-15-18(33)22(37)24(39)29(45-15)46-27-20(35)16-14(7-12(31)26(41-3)19(16)34)44-25(27)10-4-5-11(30)13(6-10)40-2/h4-7,9,15,17-18,21-24,28-34,36-39H,8H2,1-3H3",GYMVARJSAYZGSZ,UHFFFAOYSA,N,Spinacetin 3-rutinoside,GYMVARJSAYZGSZ-UHFFFAOYSA-N
HMDB37471,578.142426296,C30H26O12,OCC1OC(C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1,"InChI=1S/C30H26O12/c31-13-22-26(38)27(39)30(42-23(37)10-3-14-1-6-16(32)7-2-14)29(41-22)25-19(35)11-18(34)24-20(36)12-21(40-28(24)25)15-4-8-17(33)9-5-15/h1-12,22,26-27,29-35,38-39H,13H2/b10-3+",FJGOEBQRHWKKJH,XCVCLJGOSA,N,2''-O-p-Coumaroylvitexin,FJGOEBQRHWKKJH-XCVCLJGOSA-N
HMDB37472,740.195249726,C36H36O17,OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2C2OC(CO)C(O)C(O)C2OC(=O)\C=C\C2=CC=C(O)C=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C36H36O17/c37-13-23-29(45)31(47)35(53-25(43)10-3-15-1-6-17(39)7-2-15)34(50-23)27-22(51-36-32(48)30(46)28(44)24(14-38)52-36)12-20(42)26-19(41)11-21(49-33(26)27)16-4-8-18(40)9-5-16/h1-12,23-24,28-32,34-40,42,44-48H,13-14H2/b10-3+",PXNSTKATGVBLJY,XCVCLJGOSA,N,Vitexin 7-O-glucoside 2''-p-coumarate,PXNSTKATGVBLJY-XCVCLJGOSA-N
HMDB37473,462.116211546,C22H22O11,COC1=C2O\C(=C/C3=CC=C(O)C(O)=C3)C(=O)C2=CC=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C22H22O11/c1-30-21-13(32-22-19(29)18(28)17(27)15(8-23)33-22)5-3-10-16(26)14(31-20(10)21)7-9-2-4-11(24)12(25)6-9/h2-7,15,17-19,22-25,27-29H,8H2,1H3/b14-7-",NXOKVARAWXQHGX,AUWJEWJLSA,N,Leptosin,NXOKVARAWXQHGX-AUWJEWJLSA-N
HMDB37474,118.045235632,C5H10OS,CSCCCC=O,"InChI=1S/C5H10OS/c1-7-5-3-2-4-6/h4H,2-3,5H2,1H3",RZBUXNXJKZHGLL,UHFFFAOYSA,N,4-(Methylthio)butanal,RZBUXNXJKZHGLL-UHFFFAOYSA-N
HMDB37475,365.093308035,C17H19NO6S,NCCSC1C(O)C(OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1,"InChI=1S/C17H19NO6S/c18-3-4-25-17-14-12(22)6-9(19)7-13(14)24-16(15(17)23)8-1-2-10(20)11(21)5-8/h1-2,5-7,15-17,19-23H,3-4,18H2",RTWGDOBXVVOEQF,UHFFFAOYSA,N,4beta-(2-Aminoethylthio)catechin,RTWGDOBXVVOEQF-UHFFFAOYSA-N
HMDB37476,450.116211546,C21H22O11,OCC1OC(OC2=C(O)C(O)=CC3=C2C(=O)CC(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H22O11/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2",UBFTZAGDGOMJQE,UHFFFAOYSA,N,Neocarthamin,UBFTZAGDGOMJQE-UHFFFAOYSA-N
HMDB37477,316.094688244,C17H16O6,COC1=C(O)C=C(CC2COC3=CC(O)=CC(O)=C3C2=O)C=C1,"InChI=1S/C17H16O6/c1-22-14-3-2-9(5-12(14)19)4-10-8-23-15-7-11(18)6-13(20)16(15)17(10)21/h2-3,5-7,10,18-20H,4,8H2,1H3",WIBOONWRYQFYQJ,UHFFFAOYSA,N,"5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone",WIBOONWRYQFYQJ-UHFFFAOYSA-N
HMDB37478,517.104266651,C24H23NO10S,NCCSC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1,"InChI=1S/C24H23NO10S/c25-3-4-36-23-19-15(29)8-12(26)9-18(19)34-21(10-1-2-13(27)14(28)5-10)22(23)35-24(33)11-6-16(30)20(32)17(31)7-11/h1-2,5-9,21-23,26-32H,3-4,25H2",BUOJWHRWJNBBQB,UHFFFAOYSA,N,4beta-(2-Aminoethylthio)epicatechin 3-gallate,BUOJWHRWJNBBQB-UHFFFAOYSA-N
HMDB37479,354.146723814,C21H22O5,COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C(CC=C(C)C)C(O)=C1,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",ORXQGKIUCDPEAJ,YRNVUSSQSA,N,Xanthohumol,ORXQGKIUCDPEAJ-YRNVUSSQSA-N
HMDB37480,434.121296924,C21H22O10,CC1OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H22O10/c1-8-18(26)19(27)20(28)21(29-8)30-10-5-13(24)17-14(25)7-15(31-16(17)6-10)9-2-3-11(22)12(23)4-9/h2-6,8,15,18-24,26-28H,7H2,1H3",JMVXRLMOIOTWSB,UHFFFAOYSA,N,Eriodictin,JMVXRLMOIOTWSB-UHFFFAOYSA-N
HMDB37481,316.094688244,C17H16O6,COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC(O)=C(OC)C=C1,"InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3",LWBHKKLWSUFUNZ,UHFFFAOYSA,N,"3',5-Dihydroxy-4',7-dimethoxyflavanone",LWBHKKLWSUFUNZ-UHFFFAOYSA-N
HMDB37482,478.147511674,C23H26O11,COC1=CC2=C(C(=O)CC(O2)C2=CC(O)=C(OC)C=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C23H26O11/c1-30-11-6-16-19(13(26)8-15(32-16)10-3-4-14(31-2)12(25)5-10)17(7-11)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3",NKYUUWHIEOUGKB,UHFFFAOYSA,N,Persiconin,NKYUUWHIEOUGKB-UHFFFAOYSA-N
HMDB37483,420.142032366,C21H24O9,OCC1OC(OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=CC=C2)C(O)C(O)C1O,"InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-9-12(23)8-14(25)17(15)13(24)7-6-11-4-2-1-3-5-11/h1-5,8-9,16,18-23,25-28H,6-7,10H2",NLGUKXQDDTZCDG,UHFFFAOYSA,N,"2',4',6'-Trihydroxydihydrochalcone 2'-glucoside",NLGUKXQDDTZCDG-UHFFFAOYSA-N
HMDB37484,420.142032366,C21H24O9,OCC1OC(OC2=CC(O)=C(C(=O)CCC3=CC=CC=C3)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-12-8-14(24)17(15(25)9-12)13(23)7-6-11-4-2-1-3-5-11/h1-5,8-9,16,18-22,24-28H,6-7,10H2",PDEJQNUGODFPTR,UHFFFAOYSA,N,"2',4',6'-Trihydroxydihydrochalcone 4'-glucoside",PDEJQNUGODFPTR-UHFFFAOYSA-N
HMDB37485,284.104859,C17H16O4,COC1=C(C(=O)\C=C\C2=CC=CC=C2)C(O)=C(C)C(O)=C1,"InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+",JUZVHLGKYJTCKP,CMDGGOBGSA,N,Stercurensin,JUZVHLGKYJTCKP-CMDGGOBGSA-N
HMDB37486,418.126382302,C21H22O9,COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OCC(O)C(O)C3O)C=C2O1,"InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3",CNNUKFIXGVQJSF,UHFFFAOYSA,N,Isosakuranetin 7-xyloside,CNNUKFIXGVQJSF-UHFFFAOYSA-N
HMDB37487,594.194855796,C28H34O14,COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1,"InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3",NLAWPKPYBMEWIR,UHFFFAOYSA,N,Poncirin,NLAWPKPYBMEWIR-UHFFFAOYSA-N
HMDB37488,354.110338308,C20H18O6,CC(C)=CCC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H18O6/c1-10(2)3-5-14-19(25)18-16(24)8-12(22)9-17(18)26-20(14)13-6-4-11(21)7-15(13)23/h3-4,6-9,21-24H,5H2,1-2H3",KEIIIPKLVSSAEI,UHFFFAOYSA,N,Albanin A,KEIIIPKLVSSAEI-UHFFFAOYSA-N
HMDB37489,286.084123558,C16H14O5,COC1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=CC=C1,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3",FKAOWOSRYSMEBS,UHFFFAOYSA,N,Dihydrowogonin,FKAOWOSRYSMEBS-UHFFFAOYSA-N
HMDB37490,418.126382302,C21H22O9,OCC1OC(OC2=CC3=C(C=C2)C(=O)CC(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2",HJBUYKZTEBZNSH,UHFFFAOYSA,N,Neoliquiritin,HJBUYKZTEBZNSH-UHFFFAOYSA-N
HMDB37491,550.168641046,C26H30O13,OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(CO)C2O)C(O)C1O,"InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2",FTVKHUHJWDMWIR,UHFFFAOYSA,N,Liquiritin apioside,FTVKHUHJWDMWIR-UHFFFAOYSA-N
HMDB37492,220.109944378,C13H16O3,CCOC(=O)C1OC1(C)C1=CC=C(C)C=C1,"InChI=1S/C13H16O3/c1-4-15-12(14)11-13(3,16-11)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3",RJQNJKOCFCXTHZ,UHFFFAOYSA,N,Ethyl methyl-p-tolylglycidate,RJQNJKOCFCXTHZ-UHFFFAOYSA-N
HMDB37493,130.045235632,C6H10OS,CCC(=O)SCC=C,"InChI=1S/C6H10OS/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3",GKRISGLFPMFKSX,UHFFFAOYSA,N,S-2-Propenyl propanethioate,GKRISGLFPMFKSX-UHFFFAOYSA-N
HMDB37494,304.13107375,C17H20O5,C\C=C(/C=O)C(CC=O)CC(=O)OCCC1=CC=C(O)C=C1,"InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2+",VPOVFCBNUOUZGG,JLZUIIAYSA,N,3'-Deoxyoleacein,VPOVFCBNUOUZGG-JLZUIIAYSA-N
HMDB37495,228.20893014,C14H28O2,CCCCCCCCC(=O)OCCC(C)C,"InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3",SHGMLOSSRPFLKG,UHFFFAOYSA,N,3-Methylbutyl nonanoate,SHGMLOSSRPFLKG-UHFFFAOYSA-N
HMDB37496,156.115029756,C9H16O2,CCCCC\C=C/C(=O)OC,"InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7-",CJBQSBZJDJHMLF,FPLPWBNLSA,N,Methyl (E)-2-octenoate,CJBQSBZJDJHMLF-FPLPWBNLSA-N
HMDB37497,170.13067982,C10H18O2,CCCCC\C=C/C(=O)OCC,"InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8-",AISZSTYLOVXFII,HJWRWDBZSA,N,Ethyl (E)-2-octenoate,AISZSTYLOVXFII-HJWRWDBZSA-N
HMDB37498,198.161979948,C12H22O2,CCCCCC(OC(=O)CCC)C=C,"InChI=1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3",LZWFXVJBIZIHCH,UHFFFAOYSA,N,1-Ethenylhexyl butanoate,LZWFXVJBIZIHCH-UHFFFAOYSA-N
HMDB37499,334.152871824,C17H22N2O5,CC(=O)NC(CO)CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N,"InChI=1S/C17H22N2O5/c1-9(21)19-10(8-20)6-12(22)11-4-5-14-15(16(11)18)13(23)7-17(2,3)24-14/h4-5,10,20H,6-8,18H2,1-3H3,(H,19,21)",VXRAAUKUZQYZRW,UHFFFAOYSA,N,3'-N'-Acetylfusarochromanone,VXRAAUKUZQYZRW-UHFFFAOYSA-N
HMDB37500,624.169034976,C28H32O16,COC1=C2C(=O)\C(OC2=CC(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)=C1)=C/C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)44-26-17(8-29)43-28(25(38)23(26)36)41-11-6-14(39-2)18-15(7-11)42-16(21(18)34)5-10-3-12(30)20(33)13(31)4-10/h3-7,9,17,19,22-33,35-38H,8H2,1-2H3/b16-5+",VNQWBHCOIDFEBH,FZSIALSZSA,N,Subulin,VNQWBHCOIDFEBH-FZSIALSZSA-N
HMDB37501,318.073952802,C16H14O7,COC1=C(O)C=CC(=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O,"InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3",JWYULKXTGMJKKM,UHFFFAOYSA,N,Dihydroisorhamnetin,JWYULKXTGMJKKM-UHFFFAOYSA-N
HMDB37503,332.089602866,C17H16O7,COC1=CC(O)=C2C(=O)C(O)C(OC2=C1)C1=CC(OC)=C(O)C=C1,"InChI=1S/C17H16O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,16-19,21H,1-2H3",DQZRHRLTSJNVBC,UHFFFAOYSA,N,"3,4',5-Trihydroxy-3',7-dimethoxyflavanone",DQZRHRLTSJNVBC-UHFFFAOYSA-N
HMDB37504,332.089602866,C17H16O7,COC1=CC(O)=C2C(=O)C(O)C(OC2=C1)C1=CC(O)=C(OC)C=C1,"InChI=1S/C17H16O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,16-19,21H,1-2H3",SVPNMFZMHPLGRR,UHFFFAOYSA,N,"3,3',5-Trihydroxy-4',7-dimethoxyflavanone",SVPNMFZMHPLGRR-UHFFFAOYSA-N
HMDB37505,436.136946988,C21H24O10,OCC1OC(OC2=CC(O)=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2",GSTCPEBQYSOEHV,UHFFFAOYSA,N,Trilobatin,GSTCPEBQYSOEHV-UHFFFAOYSA-N
HMDB37506,596.174120354,C27H32O15,OCC1OC(OC2C(O)C(O)C(OC3=CC(O)=CC4=C3C(=O)C(O)C(O4)C3=CC=CC=C3)OC2CO)C(O)C(O)C1O,"InChI=1S/C27H32O15/c28-8-14-17(31)19(33)22(36)27(40-14)42-25-15(9-29)41-26(23(37)21(25)35)39-13-7-11(30)6-12-16(13)18(32)20(34)24(38-12)10-4-2-1-3-5-10/h1-7,14-15,17,19-31,33-37H,8-9H2",BEMHMJYMGFZFFQ,UHFFFAOYSA,N,Pinobanksin 5-[galactosyl-(1->4)-glucoside],BEMHMJYMGFZFFQ-UHFFFAOYSA-N
HMDB37507,302.07903818,C16H14O6,COC1=CC(O)=C2C(=O)[C@@H](O)[C@H](OC2=C1)C1=CC=C(O)C=C1,"InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3/t15-,16-/m1/s1",LZLGHWHSUZVUFZ,HZPDHXFCSA,N,Folerogenin,LZLGHWHSUZVUFZ-HZPDHXFCSA-N
HMDB37508,372.120902994,C20H20O7,CC(C)(O)CCC1=C(O)C2=C(OC(=CC2=O)C2=C(O)C=C(O)C=C2)C=C1O,"InChI=1S/C20H20O7/c1-20(2,26)6-5-12-14(23)8-17-18(19(12)25)15(24)9-16(27-17)11-4-3-10(21)7-13(11)22/h3-4,7-9,21-23,25-26H,5-6H2,1-2H3",HRSXJJYSAIZMGH,UHFFFAOYSA,N,Oxidihydroartocarpesin,HRSXJJYSAIZMGH-UHFFFAOYSA-N
HMDB37509,448.136946988,C22H24O10,COC1=CC(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+",MNYVBVCMMNPLJI,QPJJXVBHSA,N,Chalconosakuranetin,MNYVBVCMMNPLJI-QPJJXVBHSA-N
HMDB37510,477.194008357,C31H27NO4,CCOC(=O)C1=C(C)NC(C2=CC=CC=C2)=C(C1C#CC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3",SNVFDPHQAOXWJZ,UHFFFAOYSA,N,Furcelleran,SNVFDPHQAOXWJZ-UHFFFAOYSA-N
HMDB37511,434.270209766,C22H42O6S,CCCCOC(=O)CCCCCCC\C=C\CCCCCCCCOS(O)(=O)=O,"InChI=1S/C22H42O6S/c1-2-3-20-27-22(23)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-28-29(24,25)26/h4-5H,2-3,6-21H2,1H3,(H,24,25,26)/b5-4+",DCFGGGCMICWSJX,SNAWJCMRSA,N,Butyl oleate sulfate,DCFGGGCMICWSJX-SNAWJCMRSA-N
HMDB37512,608.067169638,C27H20N4O9S2,OCC1=CC(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)=C(O)C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)=C1O,"InChI=1S/C27H20N4O9S2/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40)/b30-28+,31-29+",ZMJZWRQKSFYRJU,FUEWEDNTSA,N,C.I. Food Brown 3,ZMJZWRQKSFYRJU-FUEWEDNTSA-N
HMDB37513,1328.334136396,C68H66Cu2N8O13,CCC1=C(C)C2=[N]3C1=CC1=C(C)C(C(O)=O)=C4N1[Cu]31N3C(=CC5=[N]1C(C(CCC(O)=O)C5C)=C4CC(O)=O)C(C)=C(C=C)C3=C2.CCC1=C(C=O)C2=[N]3C1=CC1=C(C)C(C(O)=O)=C4N1[Cu]31N3C(=CC5=[N]1C(C(CCC(O)=O)C5C)=C4CC(O)=O)C(C)=C(C=C)C3=C2,"InChI=1S/C34H34N4O7.C34H36N4O6.2Cu/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;/q;;2*+2/p-4",MEJFPNIVBALRRN,UHFFFAOYSA,J,C.I. Natural green 5,MEJFPNIVBALRRN-UHFFFAOYSA-J
HMDB37514,171.108170239,C9H17NS,CCC(C)C1SC(C)C(C)=N1,"InChI=1S/C9H17NS/c1-5-6(2)9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3",FLBOQJFNAYJWIA,UHFFFAOYSA,N,"2,5-Dihydro-4,5-dimethyl-2-(1-methylpropyl)thiazole",FLBOQJFNAYJWIA-UHFFFAOYSA-N
HMDB37515,637.536240632,C12H4Br6O,BrC1=CC(Br)=C(OC2=CC(Br)=CC(Br)=C2Br)C(Br)=C1,InChI=1S/C12H4Br6O/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4H,OJMHGSMSQZEBFH,UHFFFAOYSA,N,Hexabromodiphenyl ethers,OJMHGSMSQZEBFH-UHFFFAOYSA-N
HMDB37516,559.625728017,C12H5Br5O,BrC1=CC(Br)=C(OC2=C(Br)C=C(Br)C(Br)=C2)C=C1,InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H,WHPVYXDFIXRKLN,UHFFFAOYSA,N,Pentabromodiphenyl ethers,WHPVYXDFIXRKLN-UHFFFAOYSA-N
HMDB37517,266.26096571,C18H34O,CCCCCCCCCCCCCCC1CCC1=O,"InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h17H,2-16H2,1H3",HTZLOIBLMXPDGR,UHFFFAOYSA,N,2-Tetradecylcyclobutanone,HTZLOIBLMXPDGR-UHFFFAOYSA-N
HMDB37518,312.187800768,C24H24,C1C(CC(CC1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2",YVPJVAWPIRGOJN,UHFFFAOYSA,N,"1,3,5-Triphenylcyclohexane",YVPJVAWPIRGOJN-UHFFFAOYSA-N
HMDB37519,262.229665582,C18H30O,CCCCC\C=C\C\C=C\CCCCC1CCC1=O,"InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6+,10-9+",DAVBRGLWAOXZKF,AVQMFFATSA,N,"2-(5,8-Tetradecadienyl)cyclobutanone",DAVBRGLWAOXZKF-AVQMFFATSA-N
HMDB37520,481.715215402,C12H6Br4O,BrC1=CC=C(OC2=C(Br)C(Br)=C(Br)C=C2)C=C1,InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H,ARERIMFZYPFJAV,UHFFFAOYSA,N,Tetrabromodiphenyl ethers,ARERIMFZYPFJAV-UHFFFAOYSA-N
HMDB37521,308.116092388,C18H16N2O3,COC1=CC(\N=N\C2=C(O)C=CC3=CC=CC=C23)=C(OC)C=C1,"InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3/b20-19+",GJUABKCEXOMRPQ,FMQUCBEESA,N,C.I. Solvent Red 80,GJUABKCEXOMRPQ-FMQUCBEESA-N
HMDB37522,546.051519574,C22H18N4O9S2,CCOC(=O)C1=NN(C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C1=O)C1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C22H18N4O9S2/c1-2-35-22(28)19-20(27)21(26(25-19)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3,(H,29,30,31)(H,32,33,34)/b24-23+",QUMAZTILKPUCPP,WCWDXBQESA,N,Orange B,QUMAZTILKPUCPP-WCWDXBQESA-N
HMDB37523,318.219494826,C20H30O3,CC1(C)CCCC2(C)C(C\C=C3\CCOC3=O)C3(CO3)CCC12,"InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5-",MBPTXJNHCBXMBP,RZNTYIFUSA,N,Galanolactone,MBPTXJNHCBXMBP-RZNTYIFUSA-N
HMDB37524,414.386166222,C29H50O,CCC(CCC(C)C1CCC2=C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-23,25,27,30H,7-18H2,1-6H3",YQQOGXLLGWWKQH,UHFFFAOYSA,N,"(3beta,5alpha,24R)-Stigmast-8(14)-en-3-ol",YQQOGXLLGWWKQH-UHFFFAOYSA-N
HMDB37525,637.536240632,C12H4Br6O,BrC1=CC(Br)=C(Br)C=C1OC1=CC(Br)=C(Br)C=C1Br,InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H,RZXIRSKYBISPGF,UHFFFAOYSA,N,"2,2',4,4',5,5'-Hexabromodiphenyl ether",RZXIRSKYBISPGF-UHFFFAOYSA-N
HMDB37526,637.536240632,C12H4Br6O,BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2Br)C(Br)=C1,InChI=1S/C12H4Br6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H,VHNPZYZQKWIWOD,UHFFFAOYSA,N,"2,2',4,4',5,6'-Hexabromodiphenyl ether",VHNPZYZQKWIWOD-UHFFFAOYSA-N
HMDB37527,534.267626808,C25H42O12,CC(O)\C=C\C1=C(C)CC(CC1(C)C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C25H42O12/c1-11-7-13(8-25(3,4)14(11)6-5-12(2)27)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h5-6,12-13,15-24,26-33H,7-10H2,1-4H3/b6-5+",JZJSTNWTRLNQSL,AATRIKPKSA,N,3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],JZJSTNWTRLNQSL-AATRIKPKSA-N
HMDB37528,264.136159128,C15H20O4,CC1=C2CC(C)(C)CC2C(O)C2=C(C1)C(=O)OC2O,"InChI=1S/C15H20O4/c1-7-4-8-11(14(18)19-13(8)17)12(16)10-6-15(2,3)5-9(7)10/h10,12,14,16,18H,4-6H2,1-3H3",SEYJJRRZTHFAPX,UHFFFAOYSA,N,Blennin B,SEYJJRRZTHFAPX-UHFFFAOYSA-N
HMDB37529,250.15689457,C15H22O3,CC(CC1=C(CO)COC1=O)C1=CCC(C)(C)C1,"InChI=1S/C15H22O3/c1-10(11-4-5-15(2,3)7-11)6-13-12(8-16)9-18-14(13)17/h4,10,16H,5-9H2,1-3H3",ASKJTZIKSPCIKT,UHFFFAOYSA,N,Lactaronecatorin A,ASKJTZIKSPCIKT-UHFFFAOYSA-N
HMDB37530,477.251523235,C29H35NO5,[H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@H](C(=O)C=C3[C@]1(O)CC2)C(C)(C)OC(C)=O,"InChI=1S/C29H35NO5/c1-16(31)35-26(2,3)25-22(32)15-20-23(34-25)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,23,25,30,33H,10-14H2,1-5H3/t17-,23-,25-,27+,28+,29+/m0/s1",OHPVFSRTGKOAHP,FPCGACKZSA,N,1'-O-Acetylpaxilline,OHPVFSRTGKOAHP-FPCGACKZSA-N
HMDB37531,419.246043927,C27H33NO3,[H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@H](C(=O)C=C3C1CC2)C(C)(C)O,"InChI=1S/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19?,22-,24-,26-,27+/m0/s1",GYSZYWSJZCKCBD,WZNHOQSJSA,N,Dehydroxypaxilline,GYSZYWSJZCKCBD-WZNHOQSJSA-N
HMDB37532,559.625728017,C12H5Br5O,BrC1=CC=C(OC2=C(Br)C=C(Br)C=C2Br)C(Br)=C1,InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H,NSKIRYMHNFTRLR,UHFFFAOYSA,N,"1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene",NSKIRYMHNFTRLR-UHFFFAOYSA-N
HMDB37533,580.142820226,C26H28O15,OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O,"InChI=1S/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2",RXAXTTGJEMODPY,UHFFFAOYSA,N,Rustoside,RXAXTTGJEMODPY-UHFFFAOYSA-N
HMDB37534,610.153384912,C27H30O16,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2",LKZDFKLGDGSGEO,UHFFFAOYSA,N,Panasenoside,LKZDFKLGDGSGEO-UHFFFAOYSA-N
HMDB37535,464.13186161,C22H24O11,COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3",QSLBWGKNSBMTJL,UHFFFAOYSA,N,Hesperetin 5-O-glucoside,QSLBWGKNSBMTJL-UHFFFAOYSA-N
HMDB37536,596.137734848,C26H28O16,OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2",NKFZLEYLWAFYEH,UHFFFAOYSA,N,Quercetin 3-lathyroside,NKFZLEYLWAFYEH-UHFFFAOYSA-N
HMDB37537,626.148299534,C27H30O17,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2",RDUAJIJVNHKTQC,UHFFFAOYSA,N,Quercetin 3-glucosyl-(1->2)-galactoside,RDUAJIJVNHKTQC-UHFFFAOYSA-N
HMDB37538,610.153384912,C27H30O16,CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3",OTUCXMIQUNROBJ,UHFFFAOYSA,N,Quercetin 3-galactoside 7-rhamnoside,OTUCXMIQUNROBJ-UHFFFAOYSA-N
HMDB37539,626.127170162,C30H26O15,OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C30H26O15/c31-14-9-19(36)23-20(10-14)43-28(13-3-5-16(33)18(35)8-13)29(25(23)39)45-30-27(41)26(40)24(38)21(44-30)11-42-22(37)6-2-12-1-4-15(32)17(34)7-12/h1-10,21,24,26-27,30-36,38,40-41H,11H2/b6-2+",IHBVMUCQCZEAPW,QHHAFSJGSA,N,6''-Caffeoylhyperin,IHBVMUCQCZEAPW-QHHAFSJGSA-N
HMDB37540,592.179205732,C28H32O14,COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)=C(O)C=C2O,"InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3",AOXGLIJSZLOQNZ,UHFFFAOYSA,N,Margaritene,AOXGLIJSZLOQNZ-UHFFFAOYSA-N
HMDB37541,656.15886422,C28H32O18,COC1=C(O)C2=C(OC(C3=CC(O)=C(O)C=C3)=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2=O)C=C1O,"InChI=1S/C28H32O18/c1-41-25-11(32)5-12-15(18(25)35)19(36)26(24(43-12)8-2-3-9(30)10(31)4-8)46-28-23(40)21(38)17(34)14(45-28)7-42-27-22(39)20(37)16(33)13(6-29)44-27/h2-5,13-14,16-17,20-23,27-35,37-40H,6-7H2,1H3",WRDDFOFFQDOVRV,UHFFFAOYSA,N,Patuletin 3-gentiobioside,WRDDFOFFQDOVRV-UHFFFAOYSA-N
HMDB37542,788.201122964,C33H40O22,COC1=C(O)C2=C(OC(=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC3OCC(O)(CO)C3O)C2=O)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C33H40O22/c1-48-26-13(38)5-14-17(20(26)41)21(42)27(25(51-14)10-2-3-11(36)12(37)4-10)54-31-28(55-32-29(46)33(47,8-35)9-50-32)23(44)19(40)16(53-31)7-49-30-24(45)22(43)18(39)15(6-34)52-30/h2-5,15-16,18-19,22-24,28-32,34-41,43-47H,6-9H2,1H3",IQBTXBIIGNASBG,UHFFFAOYSA,N,Patuletin 3-(2''-apiosylgentiobioside),IQBTXBIIGNASBG-UHFFFAOYSA-N
HMDB37543,264.245315646,C18H32O,CCCCCCCC\C=C/CCCCC1CCC1=O,"InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h9-10,17H,2-8,11-16H2,1H3/b10-9-",ITFDRFJPWYWSMZ,KTKRTIGZSA,N,(±)-(Z)-2-(5-Tetradecenyl)cyclobutanone,ITFDRFJPWYWSMZ-KTKRTIGZSA-N
HMDB37544,238.229665582,C16H30O,CCCCCCCCCCCCC1CCC1=O,"InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(15)17/h15H,2-14H2,1H3",VVKRFZDUZMLMQM,UHFFFAOYSA,N,(±)-2-Dodecylcyclobutanone,VVKRFZDUZMLMQM-UHFFFAOYSA-N
HMDB37545,403.804702787,C12H7Br3O,BrC1=CC=C(OC2=CC=C(Br)C=C2Br)C=C1,InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,UPNBETHEXPIWQX,UHFFFAOYSA,N,"2,4-Dibromo-1-(4-bromophenoxy)benzene",UPNBETHEXPIWQX-UHFFFAOYSA-N
HMDB37546,715.446753247,C12H3Br7O,BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2Br)C(Br)=C1Br,InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H,ILPSCQCLBHQUEM,UHFFFAOYSA,N,"2,2',3,4,4',5',6-Heptabromodiphenyl ether",ILPSCQCLBHQUEM-UHFFFAOYSA-N
HMDB37547,481.715215402,C12H6Br4O,BrC1=CC=C(OC2=CC=C(Br)C=C2Br)C(Br)=C1,InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H,XYBSIYMGXVUVGY,UHFFFAOYSA,N,"1,1'-Oxybis[2,4-dibromobenzene]",XYBSIYMGXVUVGY-UHFFFAOYSA-N
HMDB37548,241.058637089,C10H11NO6,COC1=C(OC)C=C2N(O)C(=O)C(O)OC2=C1,"InChI=1S/C10H11NO6/c1-15-7-3-5-6(4-8(7)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3",VVCAIBZWJDJGJQ,UHFFFAOYSA,N,"2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one",VVCAIBZWJDJGJQ-UHFFFAOYSA-N
HMDB37549,241.058637089,C10H11NO6,COC1=C(OC)C2=C(C=C1)N(O)C(=O)C(O)O2,"InChI=1S/C10H11NO6/c1-15-6-4-3-5-7(8(6)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3",VBXNJRCPOOQJML,UHFFFAOYSA,N,"2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one",VBXNJRCPOOQJML-UHFFFAOYSA-N
HMDB37550,403.111460519,C16H21NO11,COC1=C(OC)C2=C(C=C1)N(O)C(=O)C(OC1OC(CO)C(O)C(O)C1O)O2,"InChI=1S/C16H21NO11/c1-24-7-4-3-6-12(13(7)25-2)27-16(14(22)17(6)23)28-15-11(21)10(20)9(19)8(5-18)26-15/h3-4,8-11,15-16,18-21,23H,5H2,1-2H3",CFUFRWCJGZYVHK,UHFFFAOYSA,N,"2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside",CFUFRWCJGZYVHK-UHFFFAOYSA-N
HMDB37551,459.137675269,C19H25NO12,OCC1OC(OCC2OC3C(OC(=O)N3C3=CC=CC=C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C19H25NO12/c21-5-9-11(23)13(25)15(27)18(31-9)29-6-10-12(24)14(26)16-17(30-10)20(19(28)32-16)7-3-1-2-4-8(7)22/h1-4,9-18,21-27H,5-6H2",UQUJYJFBLXCVJV,UHFFFAOYSA,N,"1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate",UQUJYJFBLXCVJV-UHFFFAOYSA-N
HMDB37552,342.13146768,C16H22O8,CC(=O)C1=CC(CCO)=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C16H22O8/c1-8(19)9-2-3-11(10(6-9)4-5-17)23-16-15(22)14(21)13(20)12(7-18)24-16/h2-3,6,12-18,20-22H,4-5,7H2,1H3",NHMZPJFIGAJCPH,UHFFFAOYSA,N,4-Hydroxy-3-(2-hydroxyethyl)acetophenone 4-glucoside,NHMZPJFIGAJCPH-UHFFFAOYSA-N
HMDB37553,178.012220944,C6H10O2S2,CC(SC(C)=O)SC(C)=O,"InChI=1S/C6H10O2S2/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3",LYDNSJZGZJIMLH,UHFFFAOYSA,N,"S,S'-Ethylidene dithioacetate",LYDNSJZGZJIMLH-UHFFFAOYSA-N
HMDB37554,288.147392516,C16H20N2O3,CCC1=C(C)\C(NC1=O)=C\C1(NC(=O)C(C)=C1C=C)OC,"InChI=1S/C16H20N2O3/c1-6-11-9(3)13(17-15(11)20)8-16(21-5)12(7-2)10(4)14(19)18-16/h7-8H,2,6H2,1,3-5H3,(H,17,20)(H,18,19)/b13-8-",RDWKBPHIFOCLKH,JYRVWZFOSA,N,(±)-Rollipyrrole,RDWKBPHIFOCLKH-JYRVWZFOSA-N
HMDB37555,588.257062122,C31H40O11,COC(=O)CC1C(C)(C)C(CC2OC34C(O)C(=O)OC(C5=COC=C5)C3(C)C(CC(C4=C)C12C)OC(C)=O)OC(C)=O,"InChI=1S/C31H40O11/c1-15-19-11-23(40-17(3)33)30(7)26(18-9-10-38-14-18)41-27(36)25(35)31(15,30)42-22-13-21(39-16(2)32)28(4,5)20(29(19,22)6)12-24(34)37-8/h9-10,14,19-23,25-26,35H,1,11-13H2,2-8H3",FPZCLGWPFTXULY,UHFFFAOYSA,N,Sandoricin,FPZCLGWPFTXULY-UHFFFAOYSA-N
HMDB37556,604.251976744,C31H40O12,COC(=O)C(O)C1C(C)(C)C(CC2OC34C(O)C(=O)OC(C5=COC=C5)C3(C)C(CC(C4=C)C12C)OC(C)=O)OC(C)=O,"InChI=1S/C31H40O12/c1-14-18-11-21(41-16(3)33)30(7)25(17-9-10-39-13-17)42-27(37)24(35)31(14,30)43-20-12-19(40-15(2)32)28(4,5)23(29(18,20)6)22(34)26(36)38-8/h9-10,13,18-25,34-35H,1,11-12H2,2-8H3",NKHYHRMLCJNKHW,UHFFFAOYSA,N,6-Hydroxysandoricin,NKHYHRMLCJNKHW-UHFFFAOYSA-N
HMDB37557,248.141244506,C15H20O3,CC12CCC(CC1C(=C)C=CC2O)C(=C)C(O)=O,"InChI=1S/C15H20O3/c1-9-4-5-13(16)15(3)7-6-11(8-12(9)15)10(2)14(17)18/h4-5,11-13,16H,1-2,6-8H2,3H3,(H,17,18)",GQPOONXHFROSAO,UHFFFAOYSA,N,"1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid",GQPOONXHFROSAO-UHFFFAOYSA-N
HMDB37558,246.125594442,C15H18O3,CC1=C2CC(CCC2(C)C=CC1=O)C(=C)C(O)=O,"InChI=1S/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11H,1,4,6,8H2,2-3H3,(H,17,18)",FPCQVGOUFYTXFX,UHFFFAOYSA,N,"3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid",FPCQVGOUFYTXFX-UHFFFAOYSA-N
HMDB37559,250.15689457,C15H22O3,CC1C2CCC3(C)CCC(=O)C(C)C3C2OC1=O,"InChI=1S/C15H22O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8-10,12-13H,4-7H2,1-3H3",BXRGGUXPWTWACZ,UHFFFAOYSA,N,Cadabicilone,BXRGGUXPWTWACZ-UHFFFAOYSA-N
HMDB37560,298.141638436,C15H22O6,CC1=CC2OC3C(O)CC(C)(C33CO3)C2(CO)C(O)C1O,"InChI=1S/C15H22O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3",QNKGXSIDHDDDHD,UHFFFAOYSA,N,"3,7,8,15-Scirpenetetrol",QNKGXSIDHDDDHD-UHFFFAOYSA-N
HMDB37561,150.10446507,C10H14O,CC1=C2CCC(C)=CC2OC1,"InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,10H,3-4,6H2,1-2H3",NDGVBBGSPLJJRM,UHFFFAOYSA,N,Linden ether,NDGVBBGSPLJJRM-UHFFFAOYSA-N
HMDB37562,226.15689457,C13H22O3,CC1=CC(O)CC(C)(C)C11CCC(C)(O)O1,"InChI=1S/C13H22O3/c1-9-7-10(14)8-11(2,3)13(9)6-5-12(4,15)16-13/h7,10,14-15H,5-6,8H2,1-4H3",SJZGKFZUNCXEEW,UHFFFAOYSA,N,Riesling acetal,SJZGKFZUNCXEEW-UHFFFAOYSA-N
HMDB37563,232.146329884,C15H20O2,CC(CC(=O)C=C(C)C)C1=C(O)C=C(C)C=C1,"InChI=1S/C15H20O2/c1-10(2)7-13(16)9-12(4)14-6-5-11(3)8-15(14)17/h5-8,12,17H,9H2,1-4H3",WYIJOOQDLOBLCP,UHFFFAOYSA,N,Turmeronol B,WYIJOOQDLOBLCP-UHFFFAOYSA-N
HMDB37564,584.422945658,C40H56O3,C\C(\C=C\C=C(/C)\C=C/C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1,"InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-22,24,33-34,36,41-42H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21-,28-15+,29-16+,30-18+,31-20+",IFYMEZNJCAQUME,MTCCZOJNSA,N,Mutatoxanthin,IFYMEZNJCAQUME-MTCCZOJNSA-N
HMDB37565,528.272318256,C30H40O8,C[C@H]1[C@@H]2CC[C@](C)(O)C3=C([C@H]2OC1=O)C1(C)CC3C2(C1)[C@@H]1CCC(C)(O)C3=CC(O)C(C)(O)C3[C@H]1OC2=O,"InChI=1S/C30H40O8/c1-13-14-6-8-28(4,35)19-17-11-26(2,21(19)22(14)37-24(13)32)12-30(17)15-7-9-27(3,34)16-10-18(31)29(5,36)20(16)23(15)38-25(30)33/h10,13-15,17-18,20,22-23,31,34-36H,6-9,11-12H2,1-5H3/t13-,14-,15+,17?,18?,20?,22-,23-,26?,27?,28-,29?,30?/m0/s1",INWDFSUZZFAFBJ,HXCFRXSLSA,N,Artenolide,INWDFSUZZFAFBJ-HXCFRXSLSA-N
HMDB37566,756.21129372,C33H40O20,CC1OC(OCC2OC(OC3=C(C4OC(CO)C(O)C(O)C4O)C(O)=C4C(=O)C=C(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O20/c1-9-21(38)25(42)29(46)32(49-9)48-8-18-23(40)27(44)30(47)33(53-18)52-16-6-15-19(13(37)5-14(50-15)10-2-3-11(35)12(36)4-10)24(41)20(16)31-28(45)26(43)22(39)17(7-34)51-31/h2-6,9,17-18,21-23,25-36,38-47H,7-8H2,1H3",LHMSJZLSCNPWNJ,UHFFFAOYSA,N,Wyomin,LHMSJZLSCNPWNJ-UHFFFAOYSA-N
HMDB37567,462.116211546,C22H22O11,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(C1OC(CO)C(O)C(O)C1O)=C2O,"InChI=1S/C22H22O11/c1-31-12-3-2-8(4-9(12)24)13-5-10(25)16-14(32-13)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3",ADVFPEKLSDNTRV,UHFFFAOYSA,N,6-beta-D-Glucopyranosyldiosmetin,ADVFPEKLSDNTRV-UHFFFAOYSA-N
HMDB37568,476.13186161,C23H24O11,COC1=CC2=C(C(=O)C=C(O2)C2=CC(OC)=C(O)C=C2)C(O)=C1C1OC(CO)C(O)C(O)C1O,"InChI=1S/C23H24O11/c1-31-13-5-9(3-4-10(13)25)12-6-11(26)17-15(33-12)7-14(32-2)18(20(17)28)23-22(30)21(29)19(27)16(8-24)34-23/h3-7,16,19,21-25,27-30H,8H2,1-2H3",JCIFZANQIXZLGH,UHFFFAOYSA,N,"6-beta-D-Glucopyranosyl-4',5-dihydroxy-3',7-dimethoxyflavone",JCIFZANQIXZLGH-UHFFFAOYSA-N
HMDB37569,564.147905604,C26H28O14,OCC1OC(C(OC2OCC(O)C(O)C2O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1O,"InChI=1S/C26H28O14/c27-7-16-20(33)22(35)25(40-26-23(36)19(32)13(31)8-37-26)24(39-16)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2",ACRIYYKEWCXQOS,UHFFFAOYSA,N,Isovitexin 2''-O-arabinoside,ACRIYYKEWCXQOS-UHFFFAOYSA-N
HMDB37570,326.07903818,C18H14O6,COC1=CC2=C(C=C1)C(=O)C(OC)=C(O2)C1=CC2=C(OCO2)C=C1,"InChI=1S/C18H14O6/c1-20-11-4-5-12-14(8-11)24-17(18(21-2)16(12)19)10-3-6-13-15(7-10)23-9-22-13/h3-8H,9H2,1-2H3",UBKPBGYXBIXFFC,UHFFFAOYSA,N,Demethoxykanugin,UBKPBGYXBIXFFC-UHFFFAOYSA-N
HMDB37571,388.115817616,C20H20O8,COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O)C(OC)=C(OC)C(OC)=C2O1,"InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3",DOFJNFPSMUCECH,UHFFFAOYSA,N,Demethylnobiletin,DOFJNFPSMUCECH-UHFFFAOYSA-N
HMDB37572,448.100561482,C21H20O11,OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)31-12-6-10(24)5-11-14(12)16(26)18(28)20(30-11)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2",ZSDLSQASILNAAH,UHFFFAOYSA,N,Kaempferol 5-glucoside,ZSDLSQASILNAAH-UHFFFAOYSA-N
HMDB37573,594.15847029,C27H30O15,CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3",OHOBPOYHROOXEI,UHFFFAOYSA,N,Kaempferol 3-neohesperidoside,OHOBPOYHROOXEI-UHFFFAOYSA-N
HMDB37574,594.15847029,C27H30O15,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3",RTATXGUCZHCSNG,UHFFFAOYSA,N,Biorobin,RTATXGUCZHCSNG-UHFFFAOYSA-N
HMDB37575,564.147905604,C26H28O14,CC(O)C1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)25(39-22)36-12-6-13(30)16-14(7-12)37-23(10-2-4-11(29)5-3-10)24(18(16)32)40-26-20(34)17(31)15(8-27)38-26/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3",POYDZVHXYJSOOS,UHFFFAOYSA,N,Kaempferol 3-arabinofuranoside 7-rhamnofuranoside,POYDZVHXYJSOOS-UHFFFAOYSA-N
HMDB37576,902.269202528,C39H50O24,CC1OC(OC2C(O)C(C)OC(OC3=CC(O)=C4C(=O)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)=C(OC4=C3)C3=CC=C(O)C=C3)C2O)C(O)C(O)C1O,"InChI=1S/C39H50O24/c1-11-21(43)26(48)30(52)37(56-11)62-34-22(44)12(2)57-39(32(34)54)58-15-7-16(42)20-17(8-15)59-33(13-3-5-14(41)6-4-13)35(25(20)47)63-38-31(53)28(50)24(46)19(61-38)10-55-36-29(51)27(49)23(45)18(9-40)60-36/h3-8,11-12,18-19,21-24,26-32,34,36-46,48-54H,9-10H2,1-2H3",OVHQWOXKMOVDJP,UHFFFAOYSA,N,Melitin,OVHQWOXKMOVDJP-UHFFFAOYSA-N
HMDB37577,740.195249726,C36H36O17,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)48-14-23-27(43)30(46)34(52-24(41)11-4-16-2-7-18(37)8-3-16)36(51-23)53-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+",GOLQQIJBGPATQF,NYYWCZLTSA,N,Kaempferol 2G-coumaroylrutinoside,GOLQQIJBGPATQF-NYYWCZLTSA-N
HMDB37578,492.126776232,C23H24O12,COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O,"InChI=1S/C23H24O12/c1-8-15(27)17(29)18(30)23(33-8)35-22-16(28)14-11(25)7-12(26)20(32-3)21(14)34-19(22)9-4-5-10(24)13(6-9)31-2/h4-8,15,17-18,23-27,29-30H,1-3H3",CCEZJODARJJBDK,UHFFFAOYSA,N,Limocitrin 3-rhamnoside,CCEZJODARJJBDK-UHFFFAOYSA-N
HMDB37579,654.179599662,C29H34O17,COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O,"InChI=1S/C29H34O17/c1-9-17(33)20(36)22(38)28(43-9)42-8-15-18(34)21(37)23(39)29(44-15)46-27-19(35)16-12(31)7-13(32)25(41-3)26(16)45-24(27)10-4-5-11(30)14(6-10)40-2/h4-7,9,15,17-18,20-23,28-34,36-39H,8H2,1-3H3",SCMBTGLLYCNHPV,UHFFFAOYSA,N,Limocitrin 3-rutinoside,SCMBTGLLYCNHPV-UHFFFAOYSA-N
HMDB37580,578.163555668,C27H30O14,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=CC=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C27H30O14/c1-10-23(40-27-21(35)19(33)17(31)15(9-28)39-27)20(34)22(36)26(37-10)41-25-18(32)16-13(30)7-12(29)8-14(16)38-24(25)11-5-3-2-4-6-11/h2-8,10,15,17,19-23,26-31,33-36H,9H2,1H3",OUUQNKHDCPSYJE,UHFFFAOYSA,N,Galangin 3-[galactosyl-(1->4)-rhamnoside],OUUQNKHDCPSYJE-UHFFFAOYSA-N
HMDB37581,418.126382302,C21H22O9,C[C@@H]1O[C@@H](OC2=CC(O)=CC3=C2C(=O)C[C@H](O3)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)30-16-7-12(23)6-15-17(16)13(24)8-14(29-15)10-2-4-11(22)5-3-10/h2-7,9,14,18-23,25-27H,8H2,1H3/t9-,14-,18-,19+,20+,21-/m0/s1",OVWZFLKQVPSRDZ,DUJSBPBCSA,N,Naringenin 5-rhamnoside,OVWZFLKQVPSRDZ-DUJSBPBCSA-N
HMDB37582,586.13225554,C28H26O14,OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C=C3)C(O)=C2)C1O,"InChI=1S/C28H26O14/c29-13-3-1-11(2-4-13)19-9-16(31)22-15(30)7-14(8-20(22)41-19)40-28-26(37)25(36)24(35)21(42-28)10-39-27(38)12-5-17(32)23(34)18(33)6-12/h1-8,19,21,24-26,28-30,32-37H,9-10H2",UNTKZTADYPALEE,UHFFFAOYSA,N,Prunin 6''-O-gallate,UNTKZTADYPALEE-UHFFFAOYSA-N
HMDB37583,580.15807636,C30H28O12,OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C1O,"InChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+",PLORCKNHUZJPKH,XCVCLJGOSA,N,6''-p-Coumaroylprunin,PLORCKNHUZJPKH-XCVCLJGOSA-N
HMDB37584,742.232029132,C33H42O19,CC1OC(OCC2OC(OC3=CC4=C(C(=O)CC(O4)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H42O19/c1-11-22(37)25(40)28(43)31(47-11)46-10-20-24(39)27(42)30(45)33(52-20)49-14-6-15(35)21-16(36)8-17(50-18(21)7-14)12-2-4-13(5-3-12)48-32-29(44)26(41)23(38)19(9-34)51-32/h2-7,11,17,19-20,22-35,37-45H,8-10H2,1H3",KQUWJUNIYQVHCG,UHFFFAOYSA,N,Narirutin 4'-glucoside,KQUWJUNIYQVHCG-UHFFFAOYSA-N
HMDB37585,340.13107375,C20H20O5,CC(C)=CCOC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C20H20O5/c1-12(2)7-8-24-15-5-3-13(4-6-15)18-11-17(23)20-16(22)9-14(21)10-19(20)25-18/h3-7,9-10,18,21-22H,8,11H2,1-2H3",GYSDUVRPSWKYDJ,UHFFFAOYSA,N,Selinone,GYSDUVRPSWKYDJ-UHFFFAOYSA-N
HMDB37586,312.136159128,C19H20O4,CC(C)=CCC1=C2CCC3=CC(O)=C(O)C=C3C2=C(O)C=C1O,"InChI=1S/C19H20O4/c1-10(2)3-5-12-13-6-4-11-7-16(21)17(22)8-14(11)19(13)18(23)9-15(12)20/h3,7-9,20-23H,4-6H2,1-2H3",UEXOPXIMQJMWKA,UHFFFAOYSA,N,Gancaonin V,UEXOPXIMQJMWKA-UHFFFAOYSA-N
HMDB37587,380.198759384,C24H28O4,CC(C)=CCC1=C(O)C(CC=C(C)C)=C2CCC3=CC(O)=C(O)C=C3C2=C1O,"InChI=1S/C24H28O4/c1-13(2)5-8-17-16-10-7-15-11-20(25)21(26)12-19(15)22(16)24(28)18(23(17)27)9-6-14(3)4/h5-6,11-12,25-28H,7-10H2,1-4H3",YJJXCOSDPIJFJR,UHFFFAOYSA,N,Gancaonin U,YJJXCOSDPIJFJR-UHFFFAOYSA-N
HMDB37588,382.214409448,C24H30O4,CC(C)=CCC1=C(CCC2=CC(O)=C(O)C=C2)C(CC=C(C)C)=C(O)C=C1O,"InChI=1S/C24H30O4/c1-15(2)5-9-19-18(11-7-17-8-12-21(25)24(28)13-17)20(10-6-16(3)4)23(27)14-22(19)26/h5-6,8,12-14,25-28H,7,9-11H2,1-4H3",QFAPONVNJTUMHF,UHFFFAOYSA,N,Gancaonin R,QFAPONVNJTUMHF-UHFFFAOYSA-N
HMDB37589,686.278585424,C32H46O16,CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(OC3OC(CO)C(O)C(O)C3O)C3=COC=C3)C22OC2C(O)=O)C1(CO)C(O)CC(O)=O,"InChI=1S/C32H46O16/c1-28(2,44)17-9-18(35)30(4)16(31(17,13-34)19(36)10-20(37)38)5-7-29(3,32(30)25(48-32)26(42)43)24(14-6-8-45-12-14)47-27-23(41)22(40)21(39)15(11-33)46-27/h6,8,12,15-17,19,21-25,27,33-34,36,39-41,44H,5,7,9-11,13H2,1-4H3,(H,37,38)(H,42,43)",MCCMYXSRCBDORE,UHFFFAOYSA,N,19-Hydroxydeacetylnomilinic acid 17-beta-D-glucopyranoside,MCCMYXSRCBDORE-UHFFFAOYSA-N
HMDB37590,668.268020738,C32H44O15,CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(OC3OC(CO)C(O)C(O)C3O)C3=COC=C3)C22OC2C(O)=O)C11COC(=O)CC1O,"InChI=1S/C32H44O15/c1-28(2,42)17-9-18(34)30(4)16(31(17)13-44-20(36)10-19(31)35)5-7-29(3,32(30)25(47-32)26(40)41)24(14-6-8-43-12-14)46-27-23(39)22(38)21(37)15(11-33)45-27/h6,8,12,15-17,19,21-25,27,33,35,37-39,42H,5,7,9-11,13H2,1-4H3,(H,40,41)",ZOJPKDNYMBAQJP,UHFFFAOYSA,N,Ichangic acid 17-beta-D-glucopyranoside,ZOJPKDNYMBAQJP-UHFFFAOYSA-N
HMDB37591,320.198759384,C19H28O4,CC12OC1C13CC2CCC1C1(C)C(O)OC(=O)C(C)(C)C1CC3,"InChI=1S/C19H28O4/c1-16(2)11-7-8-19-9-10(18(4)13(19)23-18)5-6-12(19)17(11,3)15(21)22-14(16)20/h10-13,15,21H,5-9H2,1-4H3",JEZFFKVMFCDTRK,UHFFFAOYSA,N,Oryzalide A,JEZFFKVMFCDTRK-UHFFFAOYSA-N
HMDB37592,320.198759384,C19H28O4,CC1(C)C2CCC34CC(CCC3C2(C)C(O)OC1=O)C(=C)C4O,"InChI=1S/C19H28O4/c1-10-11-5-6-13-18(4)12(7-8-19(13,9-11)14(10)20)17(2,3)15(21)23-16(18)22/h11-14,16,20,22H,1,5-9H2,2-4H3",QINXJSIKYUBGSE,UHFFFAOYSA,N,Oryzalide B,QINXJSIKYUBGSE-UHFFFAOYSA-N
HMDB37593,350.20932407,C20H30O5,CC(C)(C1CCC23CC(CCC2C1(C)CC(O)=O)C1(C)OC31)C(O)=O,"InChI=1S/C20H30O5/c1-17(2,16(23)24)12-7-8-20-9-11(19(4)15(20)25-19)5-6-13(20)18(12,3)10-14(21)22/h11-13,15H,5-10H2,1-4H3,(H,21,22)(H,23,24)",QGTMYAPGXJWNQR,UHFFFAOYSA,N,Oryzalic acid A,QGTMYAPGXJWNQR-UHFFFAOYSA-N
HMDB37594,265.110278729,C17H15NO2,COC1=CC2=C(C=C1)C(=O)C=C(N2C)C1=CC=CC=C1,"InChI=1S/C17H15NO2/c1-18-15(12-6-4-3-5-7-12)11-17(19)14-9-8-13(20-2)10-16(14)18/h3-11H,1-2H3",SNNYHVVKJUPXKZ,UHFFFAOYSA,N,Eduleine,SNNYHVVKJUPXKZ-UHFFFAOYSA-N
HMDB37595,434.084911418,C20H18O11,OC1COC(OC2=C(O)C3=C(OC(=CC3=O)C3=CC(O)=C(O)C=C3)C=C2O)C(O)C1O,"InChI=1S/C20H18O11/c21-8-2-1-7(3-9(8)22)13-4-10(23)15-14(30-13)5-11(24)19(17(15)27)31-20-18(28)16(26)12(25)6-29-20/h1-5,12,16,18,20-22,24-28H,6H2",ROVSWYFYBQYCAJ,UHFFFAOYSA,N,6-Hydroxyluteolin 6-xyloside,ROVSWYFYBQYCAJ-UHFFFAOYSA-N
HMDB37596,544.05229066,C21H20O15S,OCC1OC(OC2=C(O)C=C(O)C3=C2OC(=CC3=O)C2=CC(OS(O)(=O)=O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O15S/c22-6-14-16(27)17(28)18(29)21(34-14)35-19-11(26)4-9(24)15-10(25)5-12(33-20(15)19)7-1-2-8(23)13(3-7)36-37(30,31)32/h1-5,14,16-18,21-24,26-29H,6H2,(H,30,31,32)",YTDZJZMYSLBDSK,UHFFFAOYSA,N,8-Hydroxyluteolin 8-glucoside 3'-sulfate,YTDZJZMYSLBDSK-UHFFFAOYSA-N
HMDB37597,381.99946723,C15H10O10S,OC1=CC(O)=C(OS(O)(=O)=O)C2=C1C(=O)C=C(O2)C1=CC(O)=C(O)C=C1,"InChI=1S/C15H10O10S/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(15(13)24-12)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)",SYGUZSOHOKBHEG,UHFFFAOYSA,N,8-Hydroxyluteolin 8-sulfate,SYGUZSOHOKBHEG-UHFFFAOYSA-N
HMDB37598,358.10525293,C19H18O7,COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2O,"InChI=1S/C19H18O7/c1-22-13-6-5-10(7-15(13)23-2)14-8-11(20)17-12(21)9-16(24-3)18(25-4)19(17)26-14/h5-9,21H,1-4H3",HIUKQMVQSJHRNC,UHFFFAOYSA,N,"5-Hydroxy-3',4',7,8-tetramethoxyflavone",HIUKQMVQSJHRNC-UHFFFAOYSA-N
HMDB37599,372.120902994,C20H20O7,COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2OC,"InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-10H,1-5H3",UYCWETIUOAGWIL,UHFFFAOYSA,N,Isosinensetin,UYCWETIUOAGWIL-UHFFFAOYSA-N
HMDB37600,344.089602866,C18H16O7,COC1=C(OC)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1,"InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3",SAMBWAJRKKEEOR,UHFFFAOYSA,N,Xanthomicrol,SAMBWAJRKKEEOR-UHFFFAOYSA-N
HMDB37601,650.148299534,C29H30O17,OCC1(O)COC(OC2C(O)C(O)C(COC(=O)CC(O)=O)OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C1O,"InChI=1S/C29H30O17/c30-10-29(40)11-42-28(26(29)39)46-25-24(38)23(37)19(9-41-21(36)8-20(34)35)45-27(25)43-14-5-15(32)22-16(33)7-17(44-18(22)6-14)12-1-3-13(31)4-2-12/h1-7,19,23-28,30-32,37-40H,8-11H2,(H,34,35)",JNAHTYWPEQLJRT,UHFFFAOYSA,N,6''-Malonylapiin,JNAHTYWPEQLJRT-UHFFFAOYSA-N
HMDB37602,180.07864425,C10H12O3,CC1=C(C=O)C(C)(C)C=C(O)C1=O,"InChI=1S/C10H12O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h4-5,12H,1-3H3",COUDKMJLVVETJL,UHFFFAOYSA,N,"4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde",COUDKMJLVVETJL-UHFFFAOYSA-N
HMDB37603,458.178811802,C21H30O11,COC1=C(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C=CC(CC=C)=C1,"InChI=1S/C21H30O11/c1-3-4-10-5-6-11(12(7-10)28-2)30-21-19(27)17(25)16(24)14(32-21)9-29-20-18(26)15(23)13(8-22)31-20/h3,5-7,13-27H,1,4,8-9H2,2H3",VLKZOKSLKIEMBT,UHFFFAOYSA,N,Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside],VLKZOKSLKIEMBT-UHFFFAOYSA-N
HMDB37604,206.13067982,C13H18O2,CC1CCCC2CC(=O)C(C=O)=CC12C,"InChI=1S/C13H18O2/c1-9-4-3-5-11-6-12(15)10(8-14)7-13(9,11)2/h7-9,11H,3-6H2,1-2H3",QJHOMNLQPDCBJF,UHFFFAOYSA,N,"10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al",QJHOMNLQPDCBJF-UHFFFAOYSA-N
HMDB37605,222.161979948,C14H22O2,CC(O)C1=CC2(C)C(C)CCCC2CC1=O,"InChI=1S/C14H22O2/c1-9-5-4-6-11-7-13(16)12(10(2)15)8-14(9,11)3/h8-11,15H,4-7H2,1-3H3",YAQFZWZUAZKHAL,UHFFFAOYSA,N,"(10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one",YAQFZWZUAZKHAL-UHFFFAOYSA-N
HMDB37606,220.146329884,C14H20O2,CC1CCCC2CC(=O)C(=CC12C)C(C)=O,"InChI=1S/C14H20O2/c1-9-5-4-6-11-7-13(16)12(10(2)15)8-14(9,11)3/h8-9,11H,4-7H2,1-3H3",XNORMQKITMTNGH,UHFFFAOYSA,N,"13-Nor-6-eremophilene-8,11-dione",XNORMQKITMTNGH-UHFFFAOYSA-N
HMDB37607,484.318874518,C30H44O5,CC(CC\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3,"InChI=1S/C30H44O5/c1-17(9-8-10-18(2)26(34)35)20-15-24(33)30(7)19-11-12-22-27(3,4)23(32)13-14-28(22,5)25(19)21(31)16-29(20,30)6/h10,17,20,22,24,33H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10-",XRBLVCACUHPHDE,ZDLGFXPLSA,N,Ganolucidic acid E,XRBLVCACUHPHDE-ZDLGFXPLSA-N
HMDB37608,232.146329884,C15H20O2,CC(CC(=O)C=C(C)C)C1=CC(O)=C(C)C=C1,"InChI=1S/C15H20O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-7,9,12,17H,8H2,1-4H3",OSIFVLKZUWRNBN,UHFFFAOYSA,N,Turmeronol A,OSIFVLKZUWRNBN-UHFFFAOYSA-N
HMDB37609,476.277403634,C27H40O7,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C27H40O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-17,23,28-29,34H,7-12H2,1-6H3,(H,31,32)",XIMQDJNNBMWDIH,UHFFFAOYSA,N,Lucidenic acid C,XIMQDJNNBMWDIH-UHFFFAOYSA-N
HMDB37610,474.26175357,C27H38O7,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O,"InChI=1S/C27H38O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-16,23,28,34H,7-12H2,1-6H3,(H,31,32)",GYRDSOABOBCYST,UHFFFAOYSA,N,Lucidenic acid B,GYRDSOABOBCYST-UHFFFAOYSA-N
HMDB37611,458.266838948,C27H38O6,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O,"InChI=1S/C27H38O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18,28H,7-13H2,1-6H3,(H,32,33)",INIPQDKLXQHEAJ,UHFFFAOYSA,N,Lucidenic acid A,INIPQDKLXQHEAJ-UHFFFAOYSA-N
HMDB37612,584.132769301,C27H32CaN2O6S2,[Ca++].CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C=C1)S(O)(=O)=O)S([O-])(=O)=O,"InChI=1S/C27H32N2O6S2.Ca/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+2",SJQXVCGIOMJGCS,UHFFFAOYSA,N,C.I. Acid Blue 3,SJQXVCGIOMJGCS-UHFFFAOYSA-N
HMDB37613,694.377571186,C33H58O15,CCCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)C\C=C\CC,"InChI=1S/C33H58O15/c1-3-5-7-8-9-10-11-12-14-15-24(35)43-18-21(46-25(36)16-13-6-4-2)19-44-32-31(42)29(40)27(38)23(48-32)20-45-33-30(41)28(39)26(37)22(17-34)47-33/h6,13,21-23,26-34,37-42H,3-5,7-12,14-20H2,1-2H3/b13-6+",WMXPZMBCAXYUAO,AWNIVKPZSA,N,Capsoside A,WMXPZMBCAXYUAO-AWNIVKPZSA-N
HMDB37614,229.073893223,C13H11NO3,COC1=CC2=C(C=C1)N=C1OC=CC1=C2OC,"InChI=1S/C13H11NO3/c1-15-8-3-4-11-10(7-8)12(16-2)9-5-6-17-13(9)14-11/h3-7H,1-2H3",ALLQMEDAYDKMIO,UHFFFAOYSA,N,Pteleine,ALLQMEDAYDKMIO-UHFFFAOYSA-N
HMDB37615,432.992607713,C18H11NO8S2,OS(=O)(=O)C1=CC2=C(N=C(C=C2)C2C(=O)C3=CC=CC=C3C2=O)C(=C1)S(O)(=O)=O,"InChI=1S/C18H11NO8S2/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-10(28(22,23)24)8-14(16(9)19-13)29(25,26)27/h1-8,15H,(H,22,23,24)(H,25,26,27)",OESPFRYVCUTRKF,UHFFFAOYSA,N,Quinoline yellow,OESPFRYVCUTRKF-UHFFFAOYSA-N
HMDB37617,114.140850576,C8H18,CCCC(C)C(C)C,"InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3",JXPOLSKBTUYKJB,UHFFFAOYSA,N,"xi-2,3-Dimethylhexane",JXPOLSKBTUYKJB-UHFFFAOYSA-N
HMDB37618,156.115029756,C9H16O2,CCC\C=C\CCOC(C)=O,"InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+",AAYIYWGTGAUKQY,AATRIKPKSA,N,(E)-3-Heptenyl acetate,AAYIYWGTGAUKQY-AATRIKPKSA-N
HMDB37619,148.055800318,C6H12O2S,COC(=O)CCCSC,"InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3",HQDLZISNHUMXEA,UHFFFAOYSA,N,Methyl 4-(methylthio)butyrate,HQDLZISNHUMXEA-UHFFFAOYSA-N
HMDB37620,162.071450382,C7H14O2S,CCOC(=O)CCCSC,"InChI=1S/C7H14O2S/c1-3-9-7(8)5-4-6-10-2/h3-6H2,1-2H3",QNLREUZIHJHXRK,UHFFFAOYSA,N,Ethyl 4-(methylthio)butyrate,QNLREUZIHJHXRK-UHFFFAOYSA-N
HMDB37621,146.07653576,C7H14OS,CSC(C)(C)CC(C)=O,"InChI=1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3",DHANVOSHQILVNQ,UHFFFAOYSA,N,4-Methyl-4-(methylthio)-2-pentanone,DHANVOSHQILVNQ-UHFFFAOYSA-N
HMDB37622,142.099379692,C8H14O2,CCOC(=O)C(C)\C=C/C,"InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4-",HOWBPXBYCPKWBL,XQRVVYSFSA,N,Ethyl 2-methyl-3-pentenoate,HOWBPXBYCPKWBL-XQRVVYSFSA-N
HMDB37623,206.13067982,C13H18O2,CC(C)C(=O)OC(C)(C)C1=CC=CC=C1,"InChI=1S/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3",LQOHUFIIIKBPQC,UHFFFAOYSA,N,1-Methyl-1-phenylethyl isobutyrate,LQOHUFIIIKBPQC-UHFFFAOYSA-N
HMDB37624,142.099379692,C8H14O2,C\C=C(\C)C(=O)OC(C)C,"InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5-",VUPBIVVRPJDWNW,ALCCZGGFSA,N,Isopropyl tiglate,VUPBIVVRPJDWNW-ALCCZGGFSA-N
HMDB37625,140.083729628,C8H12O2,C\C=C(\C)C(=O)OCC=C,"InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5-",ODOZNBUSHKFCSH,ALCCZGGFSA,N,Allyl tiglate,ODOZNBUSHKFCSH-ALCCZGGFSA-N
HMDB37626,212.177630012,C13H24O2,CCCCCC(CC)OC(=O)C(\C)=C/C,"InChI=1S/C13H24O2/c1-5-8-9-10-12(7-3)15-13(14)11(4)6-2/h6,12H,5,7-10H2,1-4H3/b11-6-",LMBAQNNBRWRROG,WDZFZDKYSA,N,1-Ethylhexyl tiglate,LMBAQNNBRWRROG-WDZFZDKYSA-N
HMDB37627,190.099379692,C12H14O2,C\C=C(\C)C(=O)OCC1=CC=CC=C1,"InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3-",QRGSTISKDZCDHV,KMKOMSMNSA,N,Benzyl tiglate,QRGSTISKDZCDHV-KMKOMSMNSA-N
HMDB37628,204.115029756,C13H16O2,C\C=C(\C)C(=O)OCCC1=CC=CC=C1,"InChI=1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3-",KVMWYGAYARXPOL,JYOAFUTRSA,N,Phenethyl tiglate,KVMWYGAYARXPOL-JYOAFUTRSA-N
HMDB37629,156.115029756,C9H16O2,C\C=C(\C)C(=O)OCC(C)C,"InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5-",XDEGQMQKHFPBEW,YVMONPNESA,N,Isobutyl angelate,XDEGQMQKHFPBEW-YVMONPNESA-N
HMDB37630,142.099379692,C8H14O2,CCCC1CCCOC1=O,"InChI=1S/C8H14O2/c1-2-4-7-5-3-6-10-8(7)9/h7H,2-6H2,1H3",LANLMKRVDNOZFB,UHFFFAOYSA,N,xi-Tetrahydro-3-propyl-2H-pyran-2-one,LANLMKRVDNOZFB-UHFFFAOYSA-N
HMDB37631,250.193280076,C16H26O2,CC(OC(C)=O)C(\C)=C\C1C(C)=CCCC1(C)C,"InChI=1S/C16H26O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h8,10,13,15H,7,9H2,1-6H3/b12-10+",TYUPZTIJMKMYHL,ZRDIBKRKSA,N,3-Methyl-alpha-ionyl acetate,TYUPZTIJMKMYHL-ZRDIBKRKSA-N
HMDB37632,170.13067982,C10H18O2,CCCCCC1CCCOC1=O,"InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-12-10(9)11/h9H,2-8H2,1H3",GYSLAGLXKCQGLV,UHFFFAOYSA,N,xi-Tetrahydro-3-pentyl-2H-pyran-2-one,GYSLAGLXKCQGLV-UHFFFAOYSA-N
HMDB37633,226.193280076,C14H26O2,CCCCCCCCCC1CCCOC1=O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-16-14(13)15/h13H,2-12H2,1H3",XLKRUURGHWUVNG,UHFFFAOYSA,N,xi-Tetrahydro-3-nonyl-2H-pyran-2-one,XLKRUURGHWUVNG-UHFFFAOYSA-N
HMDB37634,160.146329884,C9H20O2,CCCCCOC(C)OCC,"InChI=1S/C9H20O2/c1-4-6-7-8-11-9(3)10-5-2/h9H,4-8H2,1-3H3",QMLYOIJQQWWNKE,UHFFFAOYSA,N,xi-1-Ethoxy-1-pentyloxyethane,QMLYOIJQQWWNKE-UHFFFAOYSA-N
HMDB37635,146.13067982,C8H18O2,CCCCOC(C)OCC,"InChI=1S/C8H18O2/c1-4-6-7-10-8(3)9-5-2/h8H,4-7H2,1-3H3",VULXTAWRXFGMKL,UHFFFAOYSA,N,xi-1-Ethoxy-1-butoxyethane,VULXTAWRXFGMKL-UHFFFAOYSA-N
HMDB37636,132.115029756,C7H16O2,CCCCOC(C)OC,"InChI=1S/C7H16O2/c1-4-5-6-9-7(2)8-3/h7H,4-6H2,1-3H3",DGUULUIJEFJCKG,UHFFFAOYSA,N,xi-1-Butoxy-1-methoxyethane,DGUULUIJEFJCKG-UHFFFAOYSA-N
HMDB37638,227.972206622,H8N2O8S2,N.N.OS(=O)(=O)OOS(O)(=O)=O,"InChI=1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6)",ROOXNKNUYICQNP,UHFFFAOYSA,N,Ammonium peroxydisulfate,ROOXNKNUYICQNP-UHFFFAOYSA-N
HMDB37639,174.161979948,C10H22O2,CCCCCCOC(C)OCC,"InChI=1S/C10H22O2/c1-4-6-7-8-9-12-10(3)11-5-2/h10H,4-9H2,1-3H3",YJYLJPSYBMNHTG,UHFFFAOYSA,N,xi-1-Ethoxy-1-hexyloxyethane,YJYLJPSYBMNHTG-UHFFFAOYSA-N
HMDB37640,234.161979948,C15H22O2,CC(C)C(=O)OC(C)(C)CCC1=CC=CC=C1,"InChI=1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3",WCEXWNUHYPYHDN,UHFFFAOYSA,N,2-Methyl-4-phenyl-2-butyl 2-methylpropanoate,WCEXWNUHYPYHDN-UHFFFAOYSA-N
HMDB37641,182.094294314,C10H14O3,CCOCC1=CC(OC)=C(O)C=C1,"InChI=1S/C10H14O3/c1-3-13-7-8-4-5-9(11)10(6-8)12-2/h4-6,11H,3,7H2,1-2H3",KOCVACNWDMSLBM,UHFFFAOYSA,N,4-(Ethoxymethyl)-2-methoxyphenol,KOCVACNWDMSLBM-UHFFFAOYSA-N
HMDB37642,210.125594442,C12H18O3,CCCCOCC1=CC(OC)=C(O)C=C1,"InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3",VLDFMKOUUQYFGF,UHFFFAOYSA,N,4-(Butoxymethyl)-2-methoxyphenol,VLDFMKOUUQYFGF-UHFFFAOYSA-N
HMDB37643,764.434692134,C41H64O13,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1=C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C41H64O13/c1-20-9-14-41(36(50)54-35-33(49)31(47)30(46)24(17-42)52-35)16-15-39(5)22(28(41)21(20)2)7-8-26-37(3)12-11-27(53-34-32(48)29(45)23(44)18-51-34)38(4,19-43)25(37)10-13-40(26,39)6/h7,20,23-35,42-49H,2,8-19H2,1,3-6H3",LJCUOMZSVKPSBW,UHFFFAOYSA,N,"28-Glucosyl-3b,23-dihydroxy-12,19(29)-ursadien-28-oate 3-arabinoside",LJCUOMZSVKPSBW-UHFFFAOYSA-N
HMDB37644,194.057908808,C10H10O4,COC1=CC=CC(\C=C\C(O)=O)=C1O,"InChI=1S/C10H10O4/c1-14-8-4-2-3-7(10(8)13)5-6-9(11)12/h2-6,13H,1H3,(H,11,12)/b6-5+",VZFPHVWLPRCAGD,AATRIKPKSA,N,3-(2-Hydroxy-3-methoxyphenyl)-2-propenoic acid,VZFPHVWLPRCAGD-AATRIKPKSA-N
HMDB37645,258.161979948,C17H22O2,CCCCCCC\C=C/C(O)C#CC#CC(=O)C=C,"InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,17,19H,2-3,5-9H2,1H3/b14-10-",STNWZOBISHHDCD,UVTDQMKNSA,N,Falcarinolone,STNWZOBISHHDCD-UVTDQMKNSA-N
HMDB37646,258.161979948,C17H22O2,CCCCCCCC1OC1CC#CC#CC(=O)C=C,"InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,16-17H,2-3,5-7,10,13-14H2,1H3",WIONCQLWGYLTME,UHFFFAOYSA,N,Ginsenoyne E,WIONCQLWGYLTME-UHFFFAOYSA-N
HMDB37647,254.224580204,C16H30O2,CCCC\C=C\CCCCCCCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+",JGMYDQCXGIMHLL,AATRIKPKSA,N,(E)-11-Hexadecenoic acid,JGMYDQCXGIMHLL-AATRIKPKSA-N
HMDB37648,762.143214156,C37H30O18,OC1C(OC2=CC(O)=CC(O)=C2C1C1=C2OC(C(CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2",JSBXKZFDEDBAQA,UHFFFAOYSA,N,3'-Galloylprodelphinidin B2,JSBXKZFDEDBAQA-UHFFFAOYSA-N
HMDB37649,914.154172772,C44H34O22,OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C(C2)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C44H34O22/c45-17-9-20(47)32-30(10-17)63-40(14-3-24(51)36(58)25(52)4-14)42(66-44(62)16-7-28(55)38(60)29(56)8-16)34(32)33-21(48)12-19(46)18-11-31(64-43(61)15-5-26(53)37(59)27(54)6-15)39(65-41(18)33)13-1-22(49)35(57)23(50)2-13/h1-10,12,31,34,39-40,42,45-60H,11H2",OBAZBWUNTJYECH,UHFFFAOYSA,N,"3,3'-Digalloylprodelphinidin B2",OBAZBWUNTJYECH-UHFFFAOYSA-N
HMDB37650,746.148299506,C37H30O17,O[C@H]1[C@H](OC2=C([C@@H]1C1=C(O)C=C(O)C3=C1O[C@@H]([C@@H](C3)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1)C(O)=CC(O)=C2)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(13-4-22(44)31(48)23(45)5-13)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,27,30,33-35,38-50H,10H2/t27-,30-,33-,34-,35-/m1/s1",LQQNPVZIFKLQPE,RGOYVLDUSA,N,Epigallocatechin-(4beta->8)-epicatechin 3-O-gallate,LQQNPVZIFKLQPE-RGOYVLDUSA-N
HMDB37651,594.137340918,C30H26O13,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O,"InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2",ZYDDITZPGFXQSD,UHFFFAOYSA,N,Epigallocatechin-(4beta->8)-catechin,ZYDDITZPGFXQSD-UHFFFAOYSA-N
HMDB37652,610.13225554,C30H26O14,OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",RTEDIEITOBJPNI,UHFFFAOYSA,N,Prodelphinidin B,RTEDIEITOBJPNI-UHFFFAOYSA-N
HMDB37653,594.137340918,C30H26O13,O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C([C@H]1[C@H](O)[C@H](OC3=C1C(O)=CC(O)=C3)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O,"InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25+,27+,28-,29-/m1/s1",ZYDDITZPGFXQSD,QKFRQTJPSA,N,Gallocatechin-(4alpha->8)-epicatechin,ZYDDITZPGFXQSD-QKFRQTJPSA-N
HMDB37654,556.100561482,C30H20O11,O[C@H]1[C@H]2C3=C(O[C@@]1(OC1=C2C2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)C=C(O)C=C3O,"InChI=1S/C30H20O11/c31-14-5-1-12(2-6-14)27-26(37)25(36)22-18(35)11-20-23(28(22)39-27)24-21-17(34)9-16(33)10-19(21)40-30(41-20,29(24)38)13-3-7-15(32)8-4-13/h1-11,24,29,31-35,37-38H/t24-,29-,30+/m0/s1",GPBSBBVDERLESN,QZFRTWIZSA,N,Ephedrannin A,GPBSBBVDERLESN-QZFRTWIZSA-N
HMDB37655,576.126776213,C30H24O12,O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C1=C(O[C@@]3(OC4=C([C@H]1[C@H]3O)C(O)=CC(O)=C4)C1=CC(O)=C(O)C=C1)C=C2O,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",NSEWTSAADLNHNH,LSBOWGMISA,N,Proanthocyanidin A2,NSEWTSAADLNHNH-LSBOWGMISA-N
HMDB37656,576.126776232,C30H24O12,O[C@H]1CC2=C(O)C=C3O[C@@]4(OC5=CC(O)=CC(O)=C5[C@@H]([C@H]4O)C3=C2O[C@@H]1C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27+,29+,30-/m0/s1",NSEWTSAADLNHNH,TXZJYACMSA,N,Proanthocyanidin A1,NSEWTSAADLNHNH-TXZJYACMSA-N
HMDB37657,576.126776232,C30H24O12,O[C@@H]1CC2=C(O)C=C3O[C@]4(OC5=CC(O)=CC(O)=C5[C@H]([C@@H]4O)C3=C2O[C@@H]1C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27-,29+,30-/m1/s1",NSEWTSAADLNHNH,JXCVSLFXSA,N,Proanthocyanidin A5',NSEWTSAADLNHNH-JXCVSLFXSA-N
HMDB37658,1730.39597876,C90H74O36,O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C([C@@H]5[C@@H](O)[C@H](OC6=C([C@@H]7[C@@H](O)[C@H](OC8=C([C@@H]9[C@@H](O)[C@H](OC%10=C([C@@H]%11[C@@H](O)[C@H](OC%12=CC(O)=CC(O)=C%11%12)C%11=CC=C(O)C(O)=C%11)C(O)=CC(O)=C9%10)C9=CC=C(O)C(O)=C9)C(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1,"InChI=1S/C90H74O36/c91-33-19-48(105)60-59(20-33)121-81(28-2-8-36(93)43(100)14-28)75(116)70(60)62-50(107)23-52(109)64-72(77(118)83(123-87(62)64)30-4-10-38(95)45(102)16-30)66-54(111)25-56(113)68-74(79(120)85(125-89(66)68)32-6-12-40(97)47(104)18-32)69-57(114)26-55(112)67-73(78(119)84(126-90(67)69)31-5-11-39(96)46(103)17-31)65-53(110)24-51(108)63-71(76(117)82(124-88(63)65)29-3-9-37(94)44(101)15-29)61-49(106)22-41(98)34-21-58(115)80(122-86(34)61)27-1-7-35(92)42(99)13-27/h1-20,22-26,58,70-85,91-120H,21H2/t58-,70-,71+,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1",UUOWTYGESRVWCF,WKWFDMPLSA,N,Cinnamtannin III,UUOWTYGESRVWCF-WKWFDMPLSA-N
HMDB37659,1442.332590644,C75H62O30,O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C([C@@H]5[C@@H](O)[C@H](OC6=C([C@@H]7[C@@H](O)[C@H](OC8=C([C@@H]9[C@@H](O)[C@H](OC%10=CC(O)=CC(O)=C9%10)C9=CC=C(O)C(O)=C9)C(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1",QRFZGLTZLZZHCM,NWYMYRDLSA,N,Cinnamtannin II,QRFZGLTZLZZHCM-NWYMYRDLSA-N
HMDB37660,1442.332590644,C75H62O30,OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=C(C5C(O)C(OC6=C(C7C(O)C(OC8=C(C9C(O)C(OC%10=CC(O)=CC(O)=C9%10)C9=CC(O)=C(O)C=C9)C(O)=CC(O)=C78)C7=CC(O)=C(O)C=C7)C(O)=CC(O)=C56)C5=CC(O)=C(O)C=C5)C(O)=CC(O)=C34)C3=CC(O)=C(O)C=C3)=C2OC1C1=CC(O)=C(O)C=C1,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2",QRFZGLTZLZZHCM,UHFFFAOYSA,N,Arecatannin A3,QRFZGLTZLZZHCM-UHFFFAOYSA-N
HMDB37661,1154.26920249,C60H50O24,O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C([C@@H]5[C@@H](O)[C@H](OC6=C([C@@H]7[C@@H](O)[C@H](OC8=CC(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",QFLMUASKTWGRQE,JNIIMKSASA,N,Cinnamtannin A2,QFLMUASKTWGRQE-JNIIMKSASA-N
HMDB37662,562.147511674,C30H26O11,OC1CC2=C(OC1C1=CC=C(O)C=C1)C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C(O)C=C2O,"InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2",MTCFYYIJIXJCPF,UHFFFAOYSA,N,"3,3',4',5,7-Pentahydroxyflavan(4->8)-3,4',5,7-tetrahydroxyflavan",MTCFYYIJIXJCPF-UHFFFAOYSA-N
HMDB37663,1322.23869026,C66H50O30,OC1C(OC2=CC(O)=CC(O)=C2C1C1=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C2OC(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=C(O)C4=C(OC(C(C4)OC(=O)C4=CC(O)=C(O)C(O)=C4)C4=CC(O)=C(O)C=C4)C=C3O)C2=C1O)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C66H50O30/c67-27-16-35(74)48-44(17-27)92-61(22-2-5-30(69)33(72)8-22)59(87)52(48)50-46(94-64(88)24-10-37(76)55(83)38(77)11-24)20-45-51(58(50)86)53(63(62(93-45)23-3-6-31(70)34(73)9-23)96-66(90)26-14-41(80)57(85)42(81)15-26)49-36(75)19-43-28(54(49)82)18-47(60(91-43)21-1-4-29(68)32(71)7-21)95-65(89)25-12-39(78)56(84)40(79)13-25/h1-17,19-20,47,52-53,59-63,67-87H,18H2",SDNQRIGBMVBKOM,UHFFFAOYSA,N,Epicatechin 3-O-gallate-(4beta->6)-epicatechin 3-O-gallate-(4beta->6)-epicatechin 3-O-gallate,SDNQRIGBMVBKOM-UHFFFAOYSA-N
HMDB37664,1322.23869026,C66H50O30,OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1)C1=C(O)C2=C(OC(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2C2=C(O)C=C(O)C3=C2OC(C(C3)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(O)=C(O)C=C2)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C66H50O30/c67-27-16-36(75)48-45(17-27)91-59(22-2-5-30(69)34(73)8-22)62(95-65(89)25-12-41(80)55(85)42(81)13-25)52(48)49-38(77)20-46-51(57(49)87)53(63(60(92-46)23-3-6-31(70)35(74)9-23)96-66(90)26-14-43(82)56(86)44(83)15-26)50-37(76)19-32(71)28-18-47(93-64(88)24-10-39(78)54(84)40(79)11-24)58(94-61(28)50)21-1-4-29(68)33(72)7-21/h1-17,19-20,47,52-53,58-60,62-63,67-87H,18H2",MHDUITHKUVVZLK,UHFFFAOYSA,N,Epicatechin 3-O-gallate-(4beta->6)-epicatechin 3-O-gallate-(4beta->8)-epicatechin 3-O-gallate,MHDUITHKUVVZLK-UHFFFAOYSA-N
HMDB37665,1170.227731644,C59H46O26,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC3=C1C(O)=C(C1C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC4=CC(O)=CC(O)=C14)C1=CC(O)=C(O)C=C1)C(O)=C3)C1=CC(O)=C(O)C=C1)=C(O)C=C2O,"InChI=1S/C59H46O26/c60-24-14-33(68)43-41(15-24)81-53(20-2-5-27(62)31(66)8-20)56(84-58(79)22-10-36(71)49(76)37(72)11-22)47(43)44-35(70)18-42-46(51(44)78)48(45-34(69)17-29(64)25-16-40(75)52(83-55(25)45)19-1-4-26(61)30(65)7-19)57(54(82-42)21-3-6-28(63)32(67)9-21)85-59(80)23-12-38(73)50(77)39(74)13-23/h1-15,17-18,40,47-48,52-54,56-57,60-78H,16H2",OZYIPNROAOYGSW,UHFFFAOYSA,N,Epicatechin 3-O-gallate-(4beta->6)-epicatechin 3-O-gallate-(4beta->8)-catechin,OZYIPNROAOYGSW-UHFFFAOYSA-N
HMDB37666,1170.227731644,C59H46O26,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C(C1C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC3=C(C4C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C(OC5=CC(O)=CC(O)=C45)C4=CC(O)=C(O)C=C4)C(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O,"InChI=1S/C59H46O26/c60-24-14-32(67)43-42(15-24)82-53(20-2-5-27(62)30(65)8-20)56(84-58(79)22-10-36(71)50(77)37(72)11-22)47(43)45-33(68)17-34(69)46-48(44-35(70)18-41-25(49(44)76)16-40(75)52(81-41)19-1-4-26(61)29(64)7-19)57(85-59(80)23-12-38(73)51(78)39(74)13-23)54(83-55(45)46)21-3-6-28(63)31(66)9-21/h1-15,17-18,40,47-48,52-54,56-57,60-78H,16H2",QCFCSTSCUPJEFV,UHFFFAOYSA,N,"Arecatannin B1 3,3'-digallate",QCFCSTSCUPJEFV-UHFFFAOYSA-N
HMDB37667,228.07864425,C14H12O3,CC1=CC=CC=C1OC(=O)C1=CC=CC=C1O,"InChI=1S/C14H12O3/c1-10-6-2-5-9-13(10)17-14(16)11-7-3-4-8-12(11)15/h2-9,15H,1H3",KITKATPLNVHGFC,UHFFFAOYSA,N,o-Tolyl salicylate,KITKATPLNVHGFC-UHFFFAOYSA-N
HMDB37668,1152.253552464,C60H48O24,O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C5[C@@H]6[C@@H](O)[C@](OC5=CC(O)=C34)(OC3=C([C@@H]4[C@@H](O)[C@H](OC5=CC(O)=CC(O)=C45)C4=CC=C(O)C(O)=C4)C(O)=CC(O)=C63)C3=CC=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",QRQAODSINXAOBF,UKTWWWBFSA,N,Cinnamtannin B2,QRQAODSINXAOBF-UKTWWWBFSA-N
HMDB37669,1152.253552464,C60H48O24,O[C@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C5[C@@H]6[C@@H](O)[C@](OC5=CC(O)=C34)(OC3=C([C@@H]4[C@@H](O)[C@H](OC5=CC(O)=CC(O)=C45)C4=CC=C(O)C(O)=C4)C(O)=CC(O)=C63)C3=CC=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48+,49-,50+,51+,52+,53+,54+,55+,59+,60+/m0/s1",QRQAODSINXAOBF,BITWWPEZSA,N,Cinnamtannin D2,QRQAODSINXAOBF-BITWWPEZSA-N
HMDB37670,1152.253552464,C60H48O24,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=C1C(O)=CC1=C3C3C(O)C(OC4=CC(O)=C(C5C(O)C(OC6=C5C(O)=CC(O)=C6)C5=CC(O)=C(O)C=C5)C(O)=C34)(O1)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1)=C(O)C=C2O,"InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2",VFVVDFLDUBZQGX,UHFFFAOYSA,N,Pavetannin C1,VFVVDFLDUBZQGX-UHFFFAOYSA-N
HMDB37671,1440.31694058,C75H60O30,OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=C5C6C(O)C(OC5=CC(O)=C34)(OC3=C(C4C(O)C(OC5=C(C7C(O)C(OC8=CC(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C45)C4=CC=C(O)C(O)=C4)C(O)=CC(O)=C63)C3=CC=C(O)C(O)=C3)C3=CC(O)=C(O)C=C3)=C2OC1C1=CC(O)=C(O)C=C1,"InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)53-43(90)20-44(91)54-61(65(98)68(102-71(53)54)25-3-8-32(79)38(85)13-25)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-60(64(97)69(103-72(55)58)26-4-9-33(80)39(86)14-26)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2",ODHOTFAKXJWQIS,UHFFFAOYSA,N,Pavetannin D1,ODHOTFAKXJWQIS-UHFFFAOYSA-N
HMDB37672,864.190164319,C45H36O18,[H][C@@]12[C@@H](O)[C@@](OC3=CC(O)=CC(O)=C13)(OC1=C2C2=C([C@@H]([C@@H](O)[C@H](O2)C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2O[C@@H]([C@H](O)C3)C2=CC=C(O)C(O)=C2)C(O)=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1",BYSRPHRKESMCPO,LQNPQWRQSA,N,"Epicatechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-epicatechin",BYSRPHRKESMCPO-LQNPQWRQSA-N
HMDB37673,864.190164319,C45H36O18,[H][C@@]12[C@@H](O)[C@@](OC3=CC(O)=CC(O)=C13)(OC1=C2C2=C([C@@H]([C@@H](O)[C@H](O2)C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2O[C@@H]([C@@H](O)C3)C2=CC=C(O)C(O)=C2)C(O)=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",BYSRPHRKESMCPO,HMQYECKYSA,N,Cinnamtannin D1,BYSRPHRKESMCPO-HMQYECKYSA-N
HMDB37674,864.190164348,C45H36O18,OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C(C1C(O)C(OC3=C1C(O)=CC1=C3C3C(O)C(OC4=C3C(O)=CC(O)=C4)(O1)C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1)=C(O)C=C2O,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2",BYSRPHRKESMCPO,UHFFFAOYSA,N,Pavetannin B6,BYSRPHRKESMCPO-UHFFFAOYSA-N
HMDB37676,204.187800768,C15H24,CC1CCC23C(C2C(C)=C)C(C)CCC13,"InChI=1S/C15H24/c1-9(2)13-14-11(4)5-6-12-10(3)7-8-15(12,13)14/h10-14H,1,5-8H2,2-4H3",ZNVSGENNKBLLJB,UHFFFAOYSA,N,(-)-Tamariscene,ZNVSGENNKBLLJB-UHFFFAOYSA-N
HMDB37677,204.187800768,C15H24,CC1CC=C2C1CCC(C)C2C=C(C)C,"InChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h8-9,11-13,15H,5-7H2,1-4H3",DMSFMSTWAVYMQU,UHFFFAOYSA,N,"(+)-1(9),10-Pacifigorgiadiene",DMSFMSTWAVYMQU-UHFFFAOYSA-N
HMDB37678,204.187800768,C15H24,CC1CCC2=C1CCC(C)C2C=C(C)C,"InChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h9,11-12,15H,5-8H2,1-4H3",VGMZAEHYZOQRSK,UHFFFAOYSA,N,"(-)-1(6),10-Pacifigorgiadiene",VGMZAEHYZOQRSK-UHFFFAOYSA-N
HMDB37679,242.094294314,C15H14O3,COC1=CC=CC=C1OC(=O)CC1=CC=CC=C1,"InChI=1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3",KNVYLIIBQXVDKC,UHFFFAOYSA,N,Guaicyl phenylacetate,KNVYLIIBQXVDKC-UHFFFAOYSA-N
HMDB37680,178.099379692,C11H14O2,CC(C)C(=O)OC1=CC=CC=C1C,"InChI=1S/C11H14O2/c1-8(2)11(12)13-10-7-5-4-6-9(10)3/h4-8H,1-3H3",FDJBDZVTTXWIQM,UHFFFAOYSA,N,2-Methylphenyl 2-methylpropanoate,FDJBDZVTTXWIQM-UHFFFAOYSA-N
HMDB37681,222.089208936,C12H14O4,COC1=C(OC(=O)C(C)C)C=CC(C=O)=C1,"InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3",BGKAKRUFBSTALK,UHFFFAOYSA,N,Vanillin isobutyrate,BGKAKRUFBSTALK-UHFFFAOYSA-N
HMDB37682,328.115817616,C15H20O8,CCOC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(C=O)=C1,"InChI=1S/C15H20O8/c1-2-21-10-5-8(6-16)3-4-9(10)22-15-14(20)13(19)12(18)11(7-17)23-15/h3-6,11-15,17-20H,2,7H2,1H3",SWESETWDPGZBCR,UHFFFAOYSA,N,Ethylvanillin glucoside,SWESETWDPGZBCR-UHFFFAOYSA-N
HMDB37683,236.104859,C13H16O4,CCOC1=C(OC(=O)C(C)C)C=CC(C=O)=C1,"InChI=1S/C13H16O4/c1-4-16-12-7-10(8-14)5-6-11(12)17-13(15)9(2)3/h5-9H,4H2,1-3H3",BTCQMCOBMIXUCG,UHFFFAOYSA,N,Ethyl vanillin isobutyrate,BTCQMCOBMIXUCG-UHFFFAOYSA-N
HMDB37685,169.073893223,C8H11NO3,NCC(O)C1=CC(O)=C(O)C=C1,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2",SFLSHLFXELFNJZ,UHFFFAOYSA,N,xi-Norepinephrine,SFLSHLFXELFNJZ-UHFFFAOYSA-N
HMDB37686,256.109944378,C16H16O3,COC1=C2CCC(OC2=CC(O)=C1)C1=CC=CC=C1,"InChI=1S/C16H16O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3",UNCVBXFEZHBZKN,UHFFFAOYSA,N,7-Hydroxy-5-methoxyflavan,UNCVBXFEZHBZKN-UHFFFAOYSA-N
HMDB37687,560.13186161,C30H24O11,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C1=C(OC3(OC4=CC(O)=CC(O)=C4C1C3O)C1=CC=C(O)C=C1)C=C2O,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2",MXKKFADFYXJREN,UHFFFAOYSA,N,Prunus inhibitor b,MXKKFADFYXJREN-UHFFFAOYSA-N
HMDB37688,196.08479226,C9H12N2O3,CCCOC1=C(N)C=C(C=C1)N(=O)=O,"InChI=1S/C9H12N2O3/c1-2-5-14-9-4-3-7(11(12)13)6-8(9)10/h3-4,6H,2,5,10H2,1H3",RXQCEGOUSFBKPI,UHFFFAOYSA,N,5-Nitro-2-propoxyaniline,RXQCEGOUSFBKPI-UHFFFAOYSA-N
HMDB37689,432.142032366,C22H24O9,COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1,"InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3",SSXJHQZOHUYEGD,UHFFFAOYSA,N,3-Methoxynobiletin,SSXJHQZOHUYEGD-UHFFFAOYSA-N
HMDB37690,538.13225554,C24H26O14,COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1,"InChI=1S/C24H26O14/c1-33-10-6-8(4-5-9(10)26)19-23(38-24-17(31)16(30)13(27)11(7-25)36-24)15(29)12-14(28)21(34-2)18(32)22(35-3)20(12)37-19/h4-6,11,13,16-17,24-28,30-32H,7H2,1-3H3",PRBUAZIWXABBBW,UHFFFAOYSA,N,Limocitrol 3-glucoside,PRBUAZIWXABBBW-UHFFFAOYSA-N
HMDB37691,376.07943211,C18H16O9,COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O1)C(OC)=C(O)C(OC)=C2O,"InChI=1S/C18H16O9/c1-24-9-6-7(4-5-8(9)19)15-13(22)11(20)10-12(21)17(25-2)14(23)18(26-3)16(10)27-15/h4-6,19,21-23H,1-3H3",LCKHNFJHVWUHTR,UHFFFAOYSA,N,Limocitrol,LCKHNFJHVWUHTR-UHFFFAOYSA-N
HMDB37692,344.089602866,C18H16O7,COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3",CPCPHNWWTJLXKQ,UHFFFAOYSA,N,"5,7-Dihydroxy-3',4',5'-trimethoxyflavone",CPCPHNWWTJLXKQ-UHFFFAOYSA-N
HMDB37693,177.078978601,C10H11NO2,NC1=CC=CC=C1C(=O)OCC=C,"InChI=1S/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2",UCANFCXAKYMFGA,UHFFFAOYSA,N,2-Propenyl 2-aminobenzoate,UCANFCXAKYMFGA-UHFFFAOYSA-N
HMDB37694,219.125928793,C13H17NO2,CC\C=C/CCOC(=O)C1=CC=CC=C1N,"InChI=1S/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3/b4-3-",VZWCCPAVZNSCEO,ARJAWSKDSA,N,cis-3-Hexenyl 2-aminobenzoate,VZWCCPAVZNSCEO-ARJAWSKDSA-N
HMDB37695,219.125928793,C13H17NO2,NC1=CC=CC=C1C(=O)OC1CCCCC1,"InChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2",KFEZETDKFSMLMG,UHFFFAOYSA,N,Cyclohexyl 2-aminobenzoate,KFEZETDKFSMLMG-UHFFFAOYSA-N
HMDB37696,241.110278729,C15H15NO2,NC1=CC=CC=C1C(=O)OCCC1=CC=CC=C1,"InChI=1S/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2",PXWNBAGCFUDYBE,UHFFFAOYSA,N,2-Phenylethyl 2-aminobenzoate,PXWNBAGCFUDYBE-UHFFFAOYSA-N
HMDB37697,207.125928793,C12H17NO2,CNC1=CC=CC=C1C(=O)OCC(C)C,"InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3",WKYZGTHZBSYUFI,UHFFFAOYSA,N,Isobutyl N-methylanthranilate,WKYZGTHZBSYUFI-UHFFFAOYSA-N
HMDB37698,193.110278729,C11H15NO2,CCNC1=CC=CC=C1C(=O)OCC,"InChI=1S/C11H15NO2/c1-3-12-10-8-6-5-7-9(10)11(13)14-4-2/h5-8,12H,3-4H2,1-2H3",VKRBJLSSQUIOHL,UHFFFAOYSA,N,Ethyl N-ethylanthranilate,VKRBJLSSQUIOHL-UHFFFAOYSA-N
HMDB37700,190.099379692,C12H14O2,CCCOC(=O)\C=C/C1=CC=CC=C1,"InChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8-",OLLPXZHNCXACMM,HJWRWDBZSA,N,Propyl cinnamate,OLLPXZHNCXACMM-HJWRWDBZSA-N
HMDB37701,190.099379692,C12H14O2,CC(C)OC(=O)\C=C/C1=CC=CC=C1,"InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8-",RGACABDFLVLVCT,HJWRWDBZSA,N,Isopropyl cinnamate,RGACABDFLVLVCT-HJWRWDBZSA-N
HMDB37702,204.115029756,C13H16O2,CCCCOC(=O)\C=C/C1=CC=CC=C1,"InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9-",OHHIVLJVBNCSHV,KTKRTIGZSA,N,Butyl cinnamate,OHHIVLJVBNCSHV-KTKRTIGZSA-N
HMDB37703,204.115029756,C13H16O2,CC(C)COC(=O)\C=C/C1=CC=CC=C1,"InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8-",IQZUZPKOFSOVET,HJWRWDBZSA,N,Isobutyl cinnamate,IQZUZPKOFSOVET-HJWRWDBZSA-N
HMDB37704,218.13067982,C14H18O2,CC(C)CCOC(=O)\C=C/C1=CC=CC=C1,"InChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8-",JFHCDEYLWGVZMX,HJWRWDBZSA,N,Isoamyl cinnamate,JFHCDEYLWGVZMX-HJWRWDBZSA-N
HMDB37705,246.161979948,C16H22O2,CCCCCCCOC(=O)\C=C/C1=CC=CC=C1,"InChI=1S/C16H22O2/c1-2-3-4-5-9-14-18-16(17)13-12-15-10-7-6-8-11-15/h6-8,10-13H,2-5,9,14H2,1H3/b13-12-",DCXNRXBLAGAHIL,SEYXRHQNSA,N,Heptyl cinnamate,DCXNRXBLAGAHIL-SEYXRHQNSA-N
HMDB37706,230.13067982,C15H18O2,O=C(OC1CCCCC1)\C=C/C1=CC=CC=C1,"InChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11-",GCFAUZGWPDYAJN,QXMHVHEDSA,N,Cyclohexyl cinnamate,GCFAUZGWPDYAJN-QXMHVHEDSA-N
HMDB37707,252.115029756,C17H16O2,O=C(CC1=CC=CC=C1)OC\C=C/C1=CC=CC=C1,"InChI=1S/C17H16O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2/b12-7-",SFXQCOMMEMBETJ,GHXNOFRVSA,N,Cinnamyl phenylacetate,SFXQCOMMEMBETJ-GHXNOFRVSA-N
HMDB37708,178.099379692,C11H14O2,CC(C)C(=O)OC1=CC=C(C)C=C1,"InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3",UPPSFGGDKACIKP,UHFFFAOYSA,N,p-Tolyl isobutyrate,UPPSFGGDKACIKP-UHFFFAOYSA-N
HMDB37709,192.115029756,C12H16O2,CC(C)CC(=O)OC1=CC=C(C)C=C1,"InChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3",MVDPTWHTUYDLTL,UHFFFAOYSA,N,4-Methylphenyl 3-methylbutanoate,MVDPTWHTUYDLTL-UHFFFAOYSA-N
HMDB37710,234.161979948,C15H22O2,CCCCCCCC(=O)OC1=CC=C(C)C=C1,"InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3",ALRYNTSLFYRKGF,UHFFFAOYSA,N,4-Methylphenyl octanoate,ALRYNTSLFYRKGF-UHFFFAOYSA-N
HMDB37711,290.224580204,C19H30O2,CCCCCCCCCCCC(=O)OC1=CC=C(C)C=C1,"InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3",GRSHNQARIXQRDQ,UHFFFAOYSA,N,4-Methylphenyl dodecanoate,GRSHNQARIXQRDQ-UHFFFAOYSA-N
HMDB37712,250.193280076,C16H26O2,CC(C)COC(CC1=CC=CC=C1)OCC(C)C,"InChI=1S/C16H26O2/c1-13(2)11-17-16(18-12-14(3)4)10-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3",IORFKGJOBOCHPX,UHFFFAOYSA,N,"[2,2-Bis(2-methylpropoxy)ethyl]benzene",IORFKGJOBOCHPX-UHFFFAOYSA-N
HMDB37713,248.177630012,C16H24O2,CCCCCCCCOC(=O)CC1=CC=CC=C1,"InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-18-16(17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3",VGYPAVUJUMQTGE,UHFFFAOYSA,N,Octyl phenylacetate,VGYPAVUJUMQTGE-UHFFFAOYSA-N
HMDB37714,220.146329884,C14H20O2,CCCCCCOC(=O)CC1=CC=CC=C1,"InChI=1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3",MTAHGWGAEGVCLS,UHFFFAOYSA,N,Hexyl phenylacetate,MTAHGWGAEGVCLS-UHFFFAOYSA-N
HMDB37715,150.068079564,C9H10O2,CC(OC=O)C1=CC=CC=C1,"InChI=1S/C9H10O2/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8H,1H3",RUDZCBJWUDOPTP,UHFFFAOYSA,N,1-Phenylethyl formate,RUDZCBJWUDOPTP-UHFFFAOYSA-N
HMDB37716,192.115029756,C12H16O2,CC(C)C(=O)OC(C)C1=CC=CC=C1,"InChI=1S/C12H16O2/c1-9(2)12(13)14-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3",JZCCYSDOUYQZMW,UHFFFAOYSA,N,1-Phenylethyl isobutyrate,JZCCYSDOUYQZMW-UHFFFAOYSA-N
HMDB37717,192.115029756,C12H16O2,CCCC(=O)OC(C)C1=CC=CC=C1,"InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3",GGKADXREVJTZMF,UHFFFAOYSA,N,1-Phenylethyl butyrate,GGKADXREVJTZMF-UHFFFAOYSA-N
HMDB37718,220.146329884,C14H20O2,CCCCCC(=O)OCCC1=CC=CC=C1,"InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3",BUYNWUMUDHPPDS,UHFFFAOYSA,N,2-Phenylethyl hexanoate,BUYNWUMUDHPPDS-UHFFFAOYSA-N
HMDB37719,248.177630012,C16H24O2,CCCCCCCC(=O)OCCC1=CC=CC=C1,"InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3",ASETYIALRXDVDF,UHFFFAOYSA,N,2-Phenylethyl octanoate,ASETYIALRXDVDF-UHFFFAOYSA-N
HMDB37720,206.13067982,C13H18O2,CCC(C)C(=O)OCCC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3",KVKKTLBBYFABAZ,UHFFFAOYSA,N,2-Phenylethyl 2-methylbutanoate,KVKKTLBBYFABAZ-UHFFFAOYSA-N
HMDB37721,204.115029756,C13H16O2,CC(C)=CC(=O)OCCC1=CC=CC=C1,"InChI=1S/C13H16O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3",QTCRFFUEUAXZNW,UHFFFAOYSA,N,2-Phenylethyl 3-methyl-2-butenoate,QTCRFFUEUAXZNW-UHFFFAOYSA-N
HMDB37722,494.986107823,C16H12AlN4O9S2,[Al+3].OC(=O)C1=NN(C(O)=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)C1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C16H12N4O9S2.Al/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);/q;+3/b18-17+;",WNRFZAWQDVGTLD,ZAGWXBKKSA,N,C.I. Pigment Yellow 100,WNRFZAWQDVGTLD-ZAGWXBKKSA-N
HMDB37723,216.07864425,C13H12O3,O=C(OCCC1=CC=CC=C1)C1=CC=CO1,"InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2",QKPSYARWSBJEDY,UHFFFAOYSA,N,2-Phenylethyl 2-furancarboxylate,QKPSYARWSBJEDY-UHFFFAOYSA-N
HMDB37724,154.062994186,C8H10O3,CCCOC(=O)C1=CC=CO1,"InChI=1S/C8H10O3/c1-2-5-11-8(9)7-4-3-6-10-7/h3-4,6H,2,5H2,1H3",HSCVIIISAAEVQT,UHFFFAOYSA,N,Propyl 2-furoate,HSCVIIISAAEVQT-UHFFFAOYSA-N
HMDB37725,196.109944378,C11H16O3,CCCCCCOC(=O)C1=CC=CO1,"InChI=1S/C11H16O3/c1-2-3-4-5-8-14-11(12)10-7-6-9-13-10/h6-7,9H,2-5,8H2,1H3",KMLFVAGUWNPADU,UHFFFAOYSA,N,Hexyl 2-furoate,KMLFVAGUWNPADU-UHFFFAOYSA-N
HMDB37726,224.141244506,C13H20O3,CCCCCCCCOC(=O)C1=CC=CO1,"InChI=1S/C13H20O3/c1-2-3-4-5-6-7-10-16-13(14)12-9-8-11-15-12/h8-9,11H,2-7,10H2,1H3",WVTHGLPXSATJHZ,UHFFFAOYSA,N,Octyl 2-furoate,WVTHGLPXSATJHZ-UHFFFAOYSA-N
HMDB37727,182.094294314,C10H14O3,CCCCC(=O)OCC1=CC=CO1,"InChI=1S/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3",HRYAVTBTUKVHBU,UHFFFAOYSA,N,Furfuryl pentanoate,HRYAVTBTUKVHBU-UHFFFAOYSA-N
HMDB37728,154.062994186,C8H10O3,CCC(=O)OCC1=CC=CO1,"InChI=1S/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3",LGBXNZSSTFWRFS,UHFFFAOYSA,N,2-Furanylmethyl propanoate,LGBXNZSSTFWRFS-UHFFFAOYSA-N
HMDB37729,168.07864425,C9H12O3,CCCC(=O)OCC1=CC=CO1,"InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3",IXISGRHWGVGCAK,UHFFFAOYSA,N,2-Furanylmethyl butanoate,IXISGRHWGVGCAK-UHFFFAOYSA-N
HMDB37730,224.141244506,C13H20O3,CCCCCCCC(=O)OCC1=CC=CO1,"InChI=1S/C13H20O3/c1-2-3-4-5-6-9-13(14)16-11-12-8-7-10-15-12/h7-8,10H,2-6,9,11H2,1H3",JNIWCVWKECYDSV,UHFFFAOYSA,N,Furfuryl octanoate,JNIWCVWKECYDSV-UHFFFAOYSA-N
HMDB37731,142.008850126,C6H6O2S,O=CSCC1=CC=CO1,"InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2",GFAOAYJTEVHTLA,UHFFFAOYSA,N,S-(2-Furanylmethyl) methanethioate,GFAOAYJTEVHTLA-UHFFFAOYSA-N
HMDB37732,170.040150254,C8H10O2S,CCC(=O)SCC1=CC=CO1,"InChI=1S/C8H10O2S/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3",JNVPDFNCAUOOIT,UHFFFAOYSA,N,S-(2-Furanylmethyl) propanethioate,JNVPDFNCAUOOIT-UHFFFAOYSA-N
HMDB37733,180.07864425,C10H12O3,CCCOC(=O)\C=C/C1=CC=CO1,"InChI=1S/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3/b6-5-",RRFBKGHLBNBFGL,WAYWQWQTSA,N,Propyl 2-furanacrylate,RRFBKGHLBNBFGL-WAYWQWQTSA-N
HMDB37734,196.109944378,C11H16O3,CC(C)COC(=O)CCC1=CC=CO1,"InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3",SVDPTFHRRNUNRS,UHFFFAOYSA,N,Isobutyl 2-furanpropionate,SVDPTFHRRNUNRS-UHFFFAOYSA-N
HMDB37735,210.125594442,C12H18O3,CC(C)CCOC(=O)CCC1=CC=CO1,"InChI=1S/C12H18O3/c1-10(2)7-9-15-12(13)6-5-11-4-3-8-14-11/h3-4,8,10H,5-7,9H2,1-2H3",ZVMWAVZRUZDYMV,UHFFFAOYSA,N,Isoamyl 2-furonpropionate,ZVMWAVZRUZDYMV-UHFFFAOYSA-N
HMDB37736,224.141244506,C13H20O3,CC(C)CCOC(=O)CCCC1=CC=CO1,"InChI=1S/C13H20O3/c1-11(2)8-10-16-13(14)7-3-5-12-6-4-9-15-12/h4,6,9,11H,3,5,7-8,10H2,1-2H3",RDRMEIURGDBOHW,UHFFFAOYSA,N,3-Methylbutyl 2-furanbutanoate,RDRMEIURGDBOHW-UHFFFAOYSA-N
HMDB37737,448.969395127,C16H10AlN2O8S2,[Al+3].OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1,"InChI=1S/C16H10N2O8S2.Al/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);/q;+3/b14-13+;",KKHVNJFMNFIZLB,IERUDJENSA,N,C.I. Pigment Blue 63,KKHVNJFMNFIZLB-IERUDJENSA-N
HMDB37738,218.13067982,C14H18O2,CC(C(=O)C=C(C)C)C1=CC=C(C)C(O)=C1,"InChI=1S/C14H18O2/c1-9(2)7-14(16)11(4)12-6-5-10(3)13(15)8-12/h5-8,11,15H,1-4H3",WZHLEYQOLDOTEY,UHFFFAOYSA,N,2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one,WZHLEYQOLDOTEY-UHFFFAOYSA-N
HMDB37739,234.161979948,C15H22O2,CC(CC1=CC=CCC1)C(O)C(=O)C=C(C)C,"InChI=1S/C15H22O2/c1-11(2)9-14(16)15(17)12(3)10-13-7-5-4-6-8-13/h4-5,7,9,12,15,17H,6,8,10H2,1-3H3",ZKNLFTOBEMGDRP,UHFFFAOYSA,N,"7-(1,3-Cyclohexadienyl)-5-hydroxy-2,6-dimethyl-2-hepten-4-one",ZKNLFTOBEMGDRP-UHFFFAOYSA-N
HMDB37740,218.203450832,C16H26,CC(C)\C=C\CCCC1=CC(C)=C(C)CC1,"InChI=1S/C16H26/c1-13(2)8-6-5-7-9-16-11-10-14(3)15(4)12-16/h6,8,12-13H,5,7,9-11H2,1-4H3/b8-6+",XYIGWLWHEYDGNU,SOFGYWHQSA,N,"1,2-Dimethyl-4-(6-methyl-4-heptenyl)-1,3-cyclohexadiene",XYIGWLWHEYDGNU-SOFGYWHQSA-N
HMDB37741,724.42400829,C48H56N2O4,COC1=C(C\C=C(/C)CCC=C(C)C)C2=C(C=C1)C1=C(N2)C(=C(O)C(C)=C1)C1=C(O)C(C)=CC2=C1NC1=C2C=CC(OC)=C1C\C=C(/C)CCC=C(C)C,"InChI=1S/C48H56N2O4/c1-27(2)13-11-15-29(5)17-19-35-39(53-9)23-21-33-37-25-31(7)47(51)41(45(37)49-43(33)35)42-46-38(26-32(8)48(42)52)34-22-24-40(54-10)36(44(34)50-46)20-18-30(6)16-12-14-28(3)4/h13-14,17-18,21-26,49-52H,11-12,15-16,19-20H2,1-10H3/b29-17+,30-18+",OUSUKIXJVMBEMB,YAGSLNJISA,N,Bismurrayafoline E,OUSUKIXJVMBEMB-YAGSLNJISA-N
HMDB37742,198.161979948,C12H22O2,CCCCCCCC1CCCC(=O)O1,"InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3",QRPLZGZHJABGRS,UHFFFAOYSA,N,xi-5-Dodecanolide,QRPLZGZHJABGRS-UHFFFAOYSA-N
HMDB37743,624.169034976,C28H32O16,COC1=C(OC2OC(C)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(C(O)CO)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C28H32O16/c1-9-18(33)20(35)22(37)27(40-9)42-14-4-3-10(5-15(14)39-2)24-26(19(34)17-12(31)6-11(30)7-16(17)41-24)44-28-23(38)21(36)25(43-28)13(32)8-29/h3-7,9,13,18,20-23,25,27-33,35-38H,8H2,1-2H3",ZLIPIZSDFWLLOS,UHFFFAOYSA,N,Pasternoside,ZLIPIZSDFWLLOS-UHFFFAOYSA-N
HMDB37744,624.169034976,C28H32O16,COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C(C)O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C28H32O16/c1-9(29)24-21(36)23(38)27(43-24)40-8-16-18(33)20(35)22(37)28(42-16)44-26-19(34)17-13(32)6-11(30)7-15(17)41-25(26)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18,20-24,27-33,35-38H,8H2,1-2H3",SZYQOTOTXRKGQZ,UHFFFAOYSA,N,Isorhamnetin 3-O-[b-L-rhamnofuranosyl-(1->6)-D-glucopyranoside],SZYQOTOTXRKGQZ-UHFFFAOYSA-N
HMDB37745,624.169034976,C28H32O16,COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3",QHLKSZBFIJJREC,UHFFFAOYSA,N,Calendoflavoside,QHLKSZBFIJJREC-UHFFFAOYSA-N
HMDB37746,624.169034976,C28H32O16,COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3",UIDGLYUNOUKLBM,UHFFFAOYSA,N,Keioside,UIDGLYUNOUKLBM-UHFFFAOYSA-N
HMDB37747,594.15847029,C27H30O15,COC1=C(O)C=CC(=C1)C1=C(OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1,"InChI=1S/C27H30O15/c1-9-18(31)21(34)23(36)27(39-9)40-11-6-13(29)17-16(7-11)41-24(10-3-4-12(28)15(5-10)37-2)25(20(17)33)42-26-22(35)19(32)14(30)8-38-26/h3-7,9,14,18-19,21-23,26-32,34-36H,8H2,1-2H3",UIXIEXAWTSBGCB,UHFFFAOYSA,N,Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,UIXIEXAWTSBGCB-UHFFFAOYSA-N
HMDB37748,770.226943784,C34H42O20,COC1=C(OC2OC(C)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C34H42O20/c1-10-20(37)24(41)27(44)32(49-10)48-9-18-22(39)26(43)29(46)34(53-18)54-31-23(40)19-14(36)7-13(35)8-17(19)51-30(31)12-4-5-15(16(6-12)47-3)52-33-28(45)25(42)21(38)11(2)50-33/h4-8,10-11,18,20-22,24-29,32-39,41-46H,9H2,1-3H3",YJJATMIYFDTODI,UHFFFAOYSA,N,Isorhamnetin 3-rutinoside 4'-rhamnoside,YJJATMIYFDTODI-UHFFFAOYSA-N
HMDB37749,316.094688244,C17H16O6,COC1=C(C=CC(O)=C1)C1COC2=CC(O)=CC(OC)=C2C1=O,"InChI=1S/C17H16O6/c1-21-13-5-9(18)3-4-11(13)12-8-23-15-7-10(19)6-14(22-2)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3",VXWBAOPTFLXYTN,UHFFFAOYSA,N,"4',7-Dihydroxy-2',5-dimethoxyisoflavanone",VXWBAOPTFLXYTN-UHFFFAOYSA-N
HMDB37750,372.120902994,C20H20O7,CC1(C)OC2=C(CC1O)C1=C(C(O)=C2)C(=O)C(CO1)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H20O7/c1-20(2)16(24)6-11-15(27-20)7-14(23)17-18(25)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7,12,16,21-24H,6,8H2,1-2H3",YBSZKJGFDYIZGI,UHFFFAOYSA,N,Cyclokievitone hydrate,YBSZKJGFDYIZGI-UHFFFAOYSA-N
HMDB37751,560.047205282,C21H20O16S,OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)C(O)C(O)C1O,"InChI=1S/C21H20O16S/c22-5-11-13(27)15(29)16(30)21(34-11)36-18-10(26)4-9(25)12-14(28)20(37-38(31,32)33)17(35-19(12)18)6-1-2-7(23)8(24)3-6/h1-4,11,13,15-16,21-27,29-30H,5H2,(H,31,32,33)",DMAOYRIREVHKFQ,UHFFFAOYSA,N,Gossypetin 8-glucoside 3-sulfate,DMAOYRIREVHKFQ-UHFFFAOYSA-N
HMDB37752,574.02646984,C21H18O17S,OC1C(O)C(OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)OC(C1O)C(O)=O,"InChI=1S/C21H18O17S/c22-6-2-1-5(3-7(6)23)15-18(38-39(32,33)34)11(26)10-8(24)4-9(25)16(17(10)35-15)36-21-14(29)12(27)13(28)19(37-21)20(30)31/h1-4,12-14,19,21-25,27-29H,(H,30,31)(H,32,33,34)",HUZYIABAGFALTN,UHFFFAOYSA,N,Gossypetin 8-glucuronide 3-sulfate,HUZYIABAGFALTN-UHFFFAOYSA-N
HMDB37753,508.121690854,C23H24O13,COC1=C(O)C=C(C=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O,"InChI=1S/C23H24O13/c1-32-12-4-3-8(5-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3",QVSFLYHKWZYAHR,UHFFFAOYSA,N,"4',8-Dimethylgossypetin 3-glucoside",QVSFLYHKWZYAHR-UHFFFAOYSA-N
HMDB37754,344.05321736,C17H12O8,COC1=C(OC2=C(C(O)=CC3=C2OCO3)C1=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C17H12O8/c1-22-17-13(21)12-10(20)5-11-15(24-6-23-11)16(12)25-14(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3",NOZQEJFGIXKUPM,UHFFFAOYSA,N,Wharangin,NOZQEJFGIXKUPM-UHFFFAOYSA-N
HMDB37755,402.13146768,C21H22O8,COC1=CC(OC)=C(OC)C2=C1C(=O)C(OC)=C(O2)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-14(25-3)10-15(26-4)19(27-5)20(16)29-18/h7-10H,1-6H3",XBZIUXVIWRAJKB,UHFFFAOYSA,N,"3,3',4',5,7,8-Hexamethoxyflavone",XBZIUXVIWRAJKB-UHFFFAOYSA-N
HMDB37756,480.090390726,C21H20O13,OCC1OC(OC2=C(OC3=C(C(O)=C(O)C(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O13/c22-5-11-14(27)17(30)18(31)21(33-11)34-20-16(29)12-10(4-9(25)13(26)15(12)28)32-19(20)6-1-2-7(23)8(24)3-6/h1-4,11,14,17-18,21-28,30-31H,5H2",YUANNBKEZDNSIV,UHFFFAOYSA,N,Tagetiin,YUANNBKEZDNSIV-UHFFFAOYSA-N
HMDB37757,520.085305348,C23H20O14,COC1=C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC(O)=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1,"InChI=1S/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)",CHIQYVBCRPLTQS,UHFFFAOYSA,N,"3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide",CHIQYVBCRPLTQS-UHFFFAOYSA-N
HMDB37758,534.100955412,C24H22O14,COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O)C3=C(OCO3)C=C2O1,"InChI=1S/C24H22O14/c1-32-10-5-8(3-4-9(10)37-24-18(29)16(27)17(28)22(38-24)23(30)31)19-21(33-2)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31)",SYRSHYBWNZNHHW,UHFFFAOYSA,N,"4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide",SYRSHYBWNZNHHW-UHFFFAOYSA-N
HMDB37759,158.021523302,C6H6O5,OC(=O)C(=C)CC(=O)C(O)=O,"InChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11)",OARCEFMISOKEKI,UHFFFAOYSA,N,2-Methylene-4-oxopentanedioic acid,OARCEFMISOKEKI-UHFFFAOYSA-N
HMDB37760,274.084123558,C15H14O5,CC(C)=CCC1=C(O)C(=O)C2=C(O)C=CC(O)=C2C1=O,"InChI=1S/C15H14O5/c1-7(2)3-4-8-13(18)11-9(16)5-6-10(17)12(11)15(20)14(8)19/h3,5-6,16-17,19H,4H2,1-2H3",KNOSIOWNDGUGFJ,UHFFFAOYSA,N,Hydroxysesamone,KNOSIOWNDGUGFJ-UHFFFAOYSA-N
HMDB37761,646.175286292,C34H32FeN5O5,CC1=C(CCC(O)=O)C2=CC3=[N]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C=C)C8=[N]7[Fe]4(N=O)(N2C1=C8)N56)C(C)=C3CCC(O)=O,"InChI=1S/C34H34N4O4.Fe.NO/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;1-2/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;/q;+3;-1/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;",ISRYSBPNLWYOKE,HXFTUNQESA,L,Nitrosylhaem,ISRYSBPNLWYOKE-HXFTUNQESA-L
HMDB37762,142.008850126,C6H6O2S,CSC(=O)C1=CC=CO1,"InChI=1S/C6H6O2S/c1-9-6(7)5-3-2-4-8-5/h2-4H,1H3",ISKUAGFDTRLBHG,UHFFFAOYSA,N,Methyl 2-thiofuroate,ISKUAGFDTRLBHG-UHFFFAOYSA-N
HMDB37763,190.135765198,C13H18O,CC(CC1=CC=C(C=C1)C(C)C)C=O,"InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3",ZFNVDHOSLNRHNN,UHFFFAOYSA,N,xi-3-(4-Isopropylphenyl)-2-methylpropanal,ZFNVDHOSLNRHNN-UHFFFAOYSA-N
HMDB37764,218.097665132,C10H18O3S,CCCC(CCOC(C)=O)SC(C)=O,"InChI=1S/C10H18O3S/c1-4-5-10(14-9(3)12)6-7-13-8(2)11/h10H,4-7H2,1-3H3",GSJSVAFGVJLTNQ,UHFFFAOYSA,N,S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate,GSJSVAFGVJLTNQ-UHFFFAOYSA-N
HMDB37765,204.118400574,C10H20O2S,CCC[C@H](S)CCOC(=O)CCC,"InChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3/t9-/m0/s1",TZNJKOLXWHXDAF,VIFPVBQESA,N,(S)-3-Mercaptohexyl butyrate,TZNJKOLXWHXDAF-VIFPVBQESA-N
HMDB37766,232.149700702,C12H24O2S,CCCCCC(=O)OCCC(S)CCC,"InChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3",KVXKOWZLYWBURN,UHFFFAOYSA,N,3-Mercaptohexyl hexanoate,KVXKOWZLYWBURN-UHFFFAOYSA-N
HMDB37770,229.146664235,C15H19NO,CC#CC#CC\C=C\C=C\C(=O)NCC(C)C,"InChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h9-12,14H,8,13H2,1-3H3,(H,16,17)/b10-9+,12-11+",LFYBJVLJNNOYNG,HULFFUFUSA,N,Neopellitorine A,LFYBJVLJNNOYNG-HULFFUFUSA-N
HMDB37771,596.465204402,C35H64O7,CCCCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-14-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3",VFRBLIGIRLWBKM,UHFFFAOYSA,N,Howiicin F,VFRBLIGIRLWBKM-UHFFFAOYSA-N
HMDB37772,308.125988372,C16H20O6,CC1C2C(OC1=O)C1=C(C)OC=C1C(C)(O)CC2OC(C)=O,"InChI=1S/C16H20O6/c1-7-12-11(21-9(3)17)5-16(4,19)10-6-20-8(2)13(10)14(12)22-15(7)18/h6-7,11-12,14,19H,5H2,1-4H3",KOUVNGDGNNAPQW,UHFFFAOYSA,N,8-Acetylegelolide,KOUVNGDGNNAPQW-UHFFFAOYSA-N
HMDB37773,348.1572885,C19H24O6,C\C=C(/C)C(=O)OC1CC(C)(O)C2=COC(C)=C2C2OC(=O)C(C)C12,"InChI=1S/C19H24O6/c1-6-9(2)17(20)24-13-7-19(5,22)12-8-23-11(4)15(12)16-14(13)10(3)18(21)25-16/h6,8,10,13-14,16,22H,7H2,1-5H3/b9-6+",UUYOHEAYCPQMKY,RMKNXTFCSA,N,8-Angeloylegelolide,UUYOHEAYCPQMKY-RMKNXTFCSA-N
HMDB37774,292.13107375,C16H20O5,COC1=C2CC(OC2=C2C(=O)OC(C)CC2=C1)C(C)(C)O,"InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(16(2,3)18)21-14(10)13(9)15(17)20-8/h6,8,12,18H,5,7H2,1-4H3",QBALHQFWXZYTDM,UHFFFAOYSA,N,Coriandrone A,QBALHQFWXZYTDM-UHFFFAOYSA-N
HMDB37775,292.13107375,C16H20O5,COC1=C2CC(O)C(C)(C)OC2=C2C(=O)OC(C)CC2=C1,"InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(17)16(2,3)21-14(10)13(9)15(18)20-8/h6,8,12,17H,5,7H2,1-4H3",BWHXOOBBSCGLBC,UHFFFAOYSA,N,Coriandrone B,BWHXOOBBSCGLBC-UHFFFAOYSA-N
HMDB37776,208.146329884,C13H20O2,CC12CCC3(O1)C(C)(O2)C=CCC3(C)C,"InChI=1S/C13H20O2/c1-10(2)6-5-7-11(3)13(10)9-8-12(4,14-11)15-13/h5,7H,6,8-9H2,1-4H3",QXHORPLJTIHQGR,UHFFFAOYSA,N,"5,9:6,9-Diepoxy-3-megastigmene",QXHORPLJTIHQGR-UHFFFAOYSA-N
HMDB37777,124.125200512,C9H16,C\C=C\CC(=C)C(C)C,"InChI=1S/C9H16/c1-5-6-7-9(4)8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5+",KKKHJDOOIQCWIL,AATRIKPKSA,N,"2-Isopropyl-1,4-hexadiene",KKKHJDOOIQCWIL-AATRIKPKSA-N
HMDB37778,502.36582471,C31H50O5,COC1CC2C(C)(C)C(=O)CCC2(C)C2=C1C1(C)C(O)CC(C(C)CCC=C(CO)CO)C1(C)CC2,"InChI=1S/C31H50O5/c1-19(9-8-10-20(17-32)18-33)22-15-26(35)31(6)27-21(11-14-30(22,31)5)29(4)13-12-25(34)28(2,3)24(29)16-23(27)36-7/h10,19,22-24,26,32-33,35H,8-9,11-18H2,1-7H3",SQJBJGSQYVYNPM,UHFFFAOYSA,N,Ganoderiol I,SQJBJGSQYVYNPM-UHFFFAOYSA-N
HMDB37779,472.355260024,C30H48O4,CC(CCC=C(CO)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O,"InChI=1S/C30H48O4/c1-19(8-7-9-20(17-31)18-32)21-10-15-30(6)26-22(11-14-29(21,30)5)28(4)13-12-25(34)27(2,3)24(28)16-23(26)33/h9,19,21,24-25,31-32,34H,7-8,10-18H2,1-6H3",SFOQBXHAGFVBPZ,UHFFFAOYSA,N,Ganoderiol E,SFOQBXHAGFVBPZ-UHFFFAOYSA-N
HMDB37780,504.381474774,C31H52O5,COC1CC2C(C)(C)C(=O)CCC2(C)C2=C1C1(C)CCC(C(C)CCC(O)C(C)(O)CO)C1(C)CC2,"InChI=1S/C31H52O5/c1-19(9-10-25(34)31(7,35)18-32)20-11-16-30(6)26-21(12-15-29(20,30)5)28(4)14-13-24(33)27(2,3)23(28)17-22(26)36-8/h19-20,22-23,25,32,34-35H,9-18H2,1-8H3",YOMOWVJLKFVSNZ,UHFFFAOYSA,N,Ganoderiol G,YOMOWVJLKFVSNZ-UHFFFAOYSA-N
HMDB37781,518.397124838,C32H54O5,CCOC1CC2C(C)(C)C(=O)CCC2(C)C2=C1C1(C)CCC(C(C)CCC(O)C(C)(O)CO)C1(C)CC2,"InChI=1S/C32H54O5/c1-9-37-23-18-24-28(3,4)25(34)14-15-29(24,5)22-13-16-30(6)21(12-17-31(30,7)27(22)23)20(2)10-11-26(35)32(8,36)19-33/h20-21,23-24,26,33,35-36H,9-19H2,1-8H3",NBPAZLNDCXUMSM,UHFFFAOYSA,N,Ganoderiol C,NBPAZLNDCXUMSM-UHFFFAOYSA-N
HMDB37782,488.350174646,C30H48O5,CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C30H48O5/c1-18(8-9-24(34)30(7,35)17-31)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22,24,31,34-35H,8-17H2,1-7H3",NAETYGPWGSNZTO,UHFFFAOYSA,N,Ganoderiol D,NAETYGPWGSNZTO-UHFFFAOYSA-N
HMDB37783,490.36582471,C30H50O5,CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O,"InChI=1S/C30H50O5/c1-18(8-9-24(34)30(7,35)17-31)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22-24,31,33-35H,8-17H2,1-7H3",TVLLLIMEZXBDHC,UHFFFAOYSA,N,Ganoderiol H,TVLLLIMEZXBDHC-UHFFFAOYSA-N
HMDB37784,204.187800773,C15H24,CC(C)C1CC=C(C)C2CCC(C)=CC12,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3",QMAYBMKBYCGXDH,UHFFFAOYSA,N,(+)-alpha-Muurolene,QMAYBMKBYCGXDH-UHFFFAOYSA-N
HMDB37785,630.122084784,C29H26O16,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2C)C(O)C(O)C1O,"InChI=1S/C29H26O16/c1-8-12(7-17(22(37)19(8)34)44-28(41)10-3-14(32)21(36)15(33)4-10)26-27(45-29-25(40)24(39)20(35)9(2)42-29)23(38)18-13(31)5-11(30)6-16(18)43-26/h3-7,9,20,24-25,29-37,39-40H,1-2H3",UETPEBBTEWIQAH,UHFFFAOYSA,N,2'-C-Methylmyricetin 3-rhamnoside 5'-gallate,UETPEBBTEWIQAH-UHFFFAOYSA-N
HMDB37786,158.040150254,C7H10O2S,CC(=O)SC1=C(C)OCC1,"InChI=1S/C7H10O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H2,1-2H3",YDYAMYYOQBGPRX,UHFFFAOYSA,N,"S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate",YDYAMYYOQBGPRX-UHFFFAOYSA-N
HMDB37787,98.08439833,C5H10N2,CC1CN=C(C)N1,"InChI=1S/C5H10N2/c1-4-3-6-5(2)7-4/h4H,3H2,1-2H3,(H,6,7)",DIHAURBCYGTGCV,UHFFFAOYSA,N,"xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole",DIHAURBCYGTGCV-UHFFFAOYSA-N
HMDB37788,84.057514878,C5H8O,CC1COC=C1,"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2-3,5H,4H2,1H3",GLXIOXNPORODGG,UHFFFAOYSA,N,"xi-2,3-Dihydro-3-methylfuran",GLXIOXNPORODGG-UHFFFAOYSA-N
HMDB37789,616.412774902,C40H56O5,CC1CC(CC(C)=O)OC1(C)CC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O,"InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-35(45-40)26-39(40,10)43)15-11-12-16-29(2)19-14-20-31(4)36(42)27-38(9)32(5)23-34(44-38)24-33(6)41/h11-22,32,34-35,43H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+",YCHOPPKXFCUQHM,OMSIYMKDSA,N,Crassostrea Secocarotenoid,YCHOPPKXFCUQHM-OMSIYMKDSA-N
HMDB37790,187.120843415,C9H17NO3,CC(N)C(=O)CCCCCC(O)=O,"InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)",GUAHPAJOXVYFON,UHFFFAOYSA,N,Polyethylene glycol,GUAHPAJOXVYFON-UHFFFAOYSA-N
HMDB37791,130.135765198,C8H18O,CCC(C)CC(C)CO,"InChI=1S/C8H18O/c1-4-7(2)5-8(3)6-9/h7-9H,4-6H2,1-3H3",GDRBQWCGBCJTLB,UHFFFAOYSA,N,"(2xi,4xi)-2,4-Dimethyl-1-hexanol",GDRBQWCGBCJTLB-UHFFFAOYSA-N
HMDB37792,192.115029756,C12H16O2,CCOC1=C(OC)C=C(\C=C/C)C=C1,"InChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3/b6-4-",AOSKXPFBGRLCEG,XQRVVYSFSA,N,1-Ethoxy-2-methoxy-4-(1-propenyl)benzene,AOSKXPFBGRLCEG-XQRVVYSFSA-N
HMDB37793,628.34000389,C39H48O7,CC(=O)OC1CC(C)(C)C(=C=C\C(C)=C\C=C\C=C\C=C(/C)\C=C2/OC(=O)C(\C=C\C3(O)C(C)=CC(=O)CC3(C)C)=C2)C(C)(O)C1,"InChI=1S/C39H48O7/c1-26(16-17-34-36(5,6)24-33(45-29(4)40)25-38(34,9)43)14-12-10-11-13-15-27(2)20-32-22-30(35(42)46-32)18-19-39(44)28(3)21-31(41)23-37(39,7)8/h10-16,18-22,33,43-44H,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20-",SXOGJBMNSIHZFB,UGBYICEJSA,N,"(3S,5R,6R,6'S)-6,7-Didehydro-5,6-dihydro-3,5,6'-trihydroxy-13,14,20-trinor-3'-oxo-beta,epsilon-caroten-19',11'-olide 3-acetate",SXOGJBMNSIHZFB-UGBYICEJSA-N
HMDB37794,582.407295594,C40H54O3,C\C(\C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+",QOCBLJWPUILPNE,RQCOEWNJSA,N,"(3S,3'R,5R,6R)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-beta,beta-carotene-3',5-diol",QOCBLJWPUILPNE-RQCOEWNJSA-N
HMDB37795,616.412774902,C40H56O5,C\C(\C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C(/O)=C/C(=O)C1(C)CCC(O)C1(C)C,"InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-24-40-36(5,6)26-32(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)33(41)25-35(43)38(9)23-22-34(42)37(38,7)8/h11-21,24-25,32,34,41-42,44H,22-23,26-27H2,1-10H3/b12-11+,17-13+,19-14+,24-21+,28-15+,29-16+,30-18+,31-20+,33-25-",JBFAUTAUPAPLMY,UQDXBYLISA,N,"(3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one",JBFAUTAUPAPLMY-UQDXBYLISA-N
HMDB37796,616.412774902,C40H56O5,C\C(\C=C\C=C(/C)C=C=C1C(C)(C)CC(O)CC1(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C(/O)=C/C(=O)C1(C)CC(O)CC1(C)C,"InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)27-40(35,10)45)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36(44)39(9)26-33(42)25-38(39,7)8/h11-21,23,32-33,41-43,45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,34-23-",WFHXPAQOVQBWGU,UVMKZGRBSA,N,"(3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one",WFHXPAQOVQBWGU-UVMKZGRBSA-N
HMDB37797,331.105587281,C17H17NO6,COC1=C(O)C2=C(N(C)C3=C(C=CC=C3O)C2=O)C(OC)=C1OC,"InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3",QYPQTPVQPNLXHV,UHFFFAOYSA,N,Citbrasine,QYPQTPVQPNLXHV-UHFFFAOYSA-N
HMDB37798,288.230059512,C16H32O4,OCCCCCCC(O)CCCCCCCCC(O)=O,"InChI=1S/C16H32O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)",VJZBXAQGWLMYMS,UHFFFAOYSA,N,"(S)-10,16-Dihydroxyhexadecanoic acid",VJZBXAQGWLMYMS-UHFFFAOYSA-N
HMDB37799,426.386166222,C30H50O,CC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CC(O)CC(C)(C)C5CCC34C)C12,"InChI=1S/C30H50O/c1-19(2)21-11-13-27(5)15-16-29(7)22(25(21)27)9-10-24-28(6)18-20(31)17-26(3,4)23(28)12-14-30(24,29)8/h20-25,31H,1,9-18H2,2-8H3",IVRKNAACXHGMPI,UHFFFAOYSA,N,Palestinol,IVRKNAACXHGMPI-UHFFFAOYSA-N
HMDB37800,248.141244506,C15H20O3,CC1C2CCC(=C)C3CC=C(CO)C3C2OC1=O,"InChI=1S/C15H20O3/c1-8-3-5-12-9(2)15(17)18-14(12)13-10(7-16)4-6-11(8)13/h4,9,11-14,16H,1,3,5-7H2,2H3",PTSCCEBQBSUFRX,UHFFFAOYSA,N,Annuolide B,PTSCCEBQBSUFRX-UHFFFAOYSA-N
HMDB37801,246.125594442,C15H18O3,OCC1=CCC2C1C1OC(=O)C(=C)C1CCC2=C,"InChI=1S/C15H18O3/c1-8-3-5-12-9(2)15(17)18-14(12)13-10(7-16)4-6-11(8)13/h4,11-14,16H,1-3,5-7H2",XIKLPPAERLRBPO,UHFFFAOYSA,N,Annuolide A,XIKLPPAERLRBPO-UHFFFAOYSA-N
HMDB37802,509.304227507,C33H39N3O2,CCCCCCCCOC1=CC(O)=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(C)C=C1C)C1=CC=C(C)C=C1C,"InChI=1S/C33H39N3O2/c1-6-7-8-9-10-11-18-38-26-14-17-29(30(37)21-26)33-35-31(27-15-12-22(2)19-24(27)4)34-32(36-33)28-16-13-23(3)20-25(28)5/h12-17,19-21,37H,6-11,18H2,1-5H3",ZSSVCEUEVMALRD,UHFFFAOYSA,N,"2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol",ZSSVCEUEVMALRD-UHFFFAOYSA-N
HMDB37803,505.952445552,C16H12Cl2N4O7S2,CC1=NN(C(=O)C1\N=N\C1=C(C=C(Cl)C(Cl)=C1)S(O)(=O)=O)C1=CC(=CC=C1)S(O)(=O)=O,"InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29)/b20-19+",UOJXCGAWGJWRNV,FMQUCBEESA,N,C.I. Pigment Yellow,UOJXCGAWGJWRNV-FMQUCBEESA-N
HMDB37805,252.20893014,C16H28O2,O=C1CCCC\C=C\CCCCCCCCCO1,"InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2/b6-4+",HMWPDRYGIBLSHB,GQCTYLIASA,N,D6-Ambrettolide,HMWPDRYGIBLSHB-GQCTYLIASA-N
HMDB37806,156.151415262,C10H20O,CCC(C)CCCC(C)C=O,"InChI=1S/C10H20O/c1-4-9(2)6-5-7-10(3)8-11/h8-10H,4-7H2,1-3H3",CBOBADCVMLMQRW,UHFFFAOYSA,N,Dihydrocitronellal,CBOBADCVMLMQRW-UHFFFAOYSA-N
HMDB37807,168.151415262,C11H20O,C\C=C\CCCCCCCC=O,"InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3,11H,4-10H2,1H3/b3-2+",ZFMUIJVOIVHGCF,NSCUHMNNSA,N,9-Undecenal,ZFMUIJVOIVHGCF-NSCUHMNNSA-N
HMDB37808,232.059171136,C10H16O2S2,CC1OCC2SC3(CCOC3C)SC12,"InChI=1S/C10H16O2S2/c1-6-9-8(5-12-6)13-10(14-9)3-4-11-7(10)2/h6-9H,3-5H2,1-2H3",KKEFRICKADNKCV,UHFFFAOYSA,N,"Hexahydro-2',4-dimethylspiro[1,3-dithiolo[4,5-c]furan-2,3'(2'H)-furan]",KKEFRICKADNKCV-UHFFFAOYSA-N
HMDB37809,232.059171136,C10H16O2S2,CC1OCCC11SC2CCOC2(C)S1,"InChI=1S/C10H16O2S2/c1-7-10(4-6-11-7)13-8-3-5-12-9(8,2)14-10/h7-8H,3-6H2,1-2H3",LGPJANFPSFABDB,UHFFFAOYSA,N,"Hexahydro-2',3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan]",LGPJANFPSFABDB-UHFFFAOYSA-N
HMDB37810,380.011932988,C20H10Cl2N2O2,ClC1=CC=CC2=C1NC1=CC3=C(NC4=C(C=CC=C4Cl)C3=O)C=C1C2=O,"InChI=1S/C20H10Cl2N2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22/h1-8H,(H,23,25)(H,24,26)",BFEJTCHFLJECJN,UHFFFAOYSA,N,"4,11-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione",BFEJTCHFLJECJN-UHFFFAOYSA-N
HMDB37811,220.18271539,C15H24O,C[C@@H]1CC(O)C=C(C)[C@@]11CCC(C1)=C(C)C,"InChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12,14,16H,5-6,8-9H2,1-4H3/t12-,14?,15+/m1/s1",XCEXBRKEGXBUJE,ATFAPYMMSA,N,Vetiverol,XCEXBRKEGXBUJE-ATFAPYMMSA-N
HMDB37813,198.161979948,C12H22O2,CCCCCCCC1CC(C)OC1=O,"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-11-9-10(2)14-12(11)13/h10-11H,3-9H2,1-2H3",ZFKUTGNRVJOCIO,UHFFFAOYSA,N,3-Heptyldihydro-5-methyl-2(3H)-furanone,ZFKUTGNRVJOCIO-UHFFFAOYSA-N
HMDB37814,224.177630012,C14H24O2,C=CCOC(=O)CCCCC1CCCCC1,"InChI=1S/C14H24O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2,13H,1,3-12H2",NDXGAVFJHHVIQN,UHFFFAOYSA,N,2-Propenyl cyclohexanepentanoate,NDXGAVFJHHVIQN-UHFFFAOYSA-N
HMDB37815,190.04860645,C8H14OS2,CSCC\C=C(\CSC)C=O,"InChI=1S/C8H14OS2/c1-10-5-3-4-8(6-9)7-11-2/h4,6H,3,5,7H2,1-2H3/b8-4+",VVZWQNGEMWJSTM,XBXARRHUSA,N,5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal,VVZWQNGEMWJSTM-XBXARRHUSA-N
HMDB37816,210.125594442,C12H18O3,CCCCCC\C=C\C1CC(=O)OC1=O,"InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h7-8,10H,2-6,9H2,1H3/b8-7+",FLISWPFVWWWNNP,BQYQJAHWSA,N,"Dihydro-3-(1-octenyl)-2,5-furandione",FLISWPFVWWWNNP-BQYQJAHWSA-N
HMDB37817,254.126657074,C12H18N2O4,OC(=O)C1CCC(=CN1)C1CCCC(N1)C(O)=O,"InChI=1S/C12H18N2O4/c15-11(16)9-5-4-7(6-13-9)8-2-1-3-10(14-8)12(17)18/h6,8-10,13-14H,1-5H2,(H,15,16)(H,17,18)",FZNMMFIPIGBAJL,UHFFFAOYSA,N,Aldosine,FZNMMFIPIGBAJL-UHFFFAOYSA-N
HMDB37818,139.099714043,C8H13NO,CCCCCC1=NC=CO1,"InChI=1S/C8H13NO/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3",TWTMHOPOBRKCKX,UHFFFAOYSA,N,2-Pentyloxazole,TWTMHOPOBRKCKX-UHFFFAOYSA-N
HMDB37819,136.063662888,C7H8N2O,CC(=O)C1=NC(C)=NC=C1,"InChI=1S/C7H8N2O/c1-5(10)7-3-4-8-6(2)9-7/h3-4H,1-2H3",ZADBZWAGUOHTAB,UHFFFAOYSA,N,4-Acetyl-2-methylpyrimidine,ZADBZWAGUOHTAB-UHFFFAOYSA-N
HMDB37820,222.161979948,C14H22O2,CCCCOC(C)OCCC1=CC=CC=C1,"InChI=1S/C14H22O2/c1-3-4-11-15-13(2)16-12-10-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3",JBEADRDKGADTFN,UHFFFAOYSA,N,Acetaldehyde butyl phenethyl acetal,JBEADRDKGADTFN-UHFFFAOYSA-N
HMDB37821,168.115029756,C10H16O2,CC1(C)C2CCC1(C)OC(=O)C2,"InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3",AXRMSBLBSHJLGO,UHFFFAOYSA,N,"xi-1,8,8-Trimethyl-2-oxabicyclo[3.2.1]octan-3-one",AXRMSBLBSHJLGO-UHFFFAOYSA-N
HMDB37822,521.589951405,C36H75N,CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",SWZDQOUHBYYPJD,UHFFFAOYSA,N,Tridodecylamine,SWZDQOUHBYYPJD-UHFFFAOYSA-N
HMDB37823,432.23593275,C21H36O9,C\C(CCC(O)C(C)(C)O)=C/CC\C(C)=C\C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H36O9/c1-12(8-9-15(23)21(3,4)28)6-5-7-13(2)10-16(24)30-20-19(27)18(26)17(25)14(11-22)29-20/h6,10,14-15,17-20,22-23,25-28H,5,7-9,11H2,1-4H3/b12-6+,13-10+",MSRVZJWXQUEINS,WAAHFECUSA,N,"Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate",MSRVZJWXQUEINS-WAAHFECUSA-N
HMDB37824,304.240230268,C20H32O2,C\C(CCC1C(C)=CCC2C(C)(C)CCCC12C)=C\C(O)=O,"InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h8,13,16-17H,6-7,9-12H2,1-5H3,(H,21,22)/b14-13-",YUYHINCTHBQFIT,YPKPFQOOSA,N,"7,13-Eperudien-15-oic acid",YUYHINCTHBQFIT-YPKPFQOOSA-N
HMDB37825,212.250401024,C15H32,CCCCCCCCC(C)CCC(C)C,"InChI=1S/C15H32/c1-5-6-7-8-9-10-11-15(4)13-12-14(2)3/h14-15H,5-13H2,1-4H3",WHEITGBIIYGVLM,UHFFFAOYSA,N,"xi-2,5-Dimethyltridecane",WHEITGBIIYGVLM-UHFFFAOYSA-N
HMDB37826,368.307915902,C26H40O,CC(C)\C=C\C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,"InChI=1S/C26H40O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,16-18,21-24H,8-15H2,1-5H3/b7-6+",FFRFYWBYDZTBDQ,VOTSOKGWSA,N,"(E)-26,27-Dinorergosta-4,22-dien-3-one",FFRFYWBYDZTBDQ-VOTSOKGWSA-N
HMDB37827,646.371697948,C36H54O10,CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1O)C(O)=O,"InChI=1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)45-29-25(40)23(38)24(39)26(46-29)28(41)42)20(37)16-18-19-17-33(4,30(43)44)13-12-32(19,3)14-15-35(18,36)6/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,43,44)",HLDYLAJAWSKPFZ,UHFFFAOYSA,N,Monoglucuronylglycyrrhetinic acid,HLDYLAJAWSKPFZ-UHFFFAOYSA-N
HMDB37828,184.219100896,C13H28,CCCCCCCCCC(C)CC,"InChI=1S/C13H28/c1-4-6-7-8-9-10-11-12-13(3)5-2/h13H,4-12H2,1-3H3",GRJUENNHVNYCHD,UHFFFAOYSA,N,xi-3-Methyldodecane,GRJUENNHVNYCHD-UHFFFAOYSA-N
HMDB37829,182.13067982,C11H18O2,CC\C=C/CCC1CCCC(=O)O1,"InChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h3-4,10H,2,5-9H2,1H3/b4-3-",UJHDFCVFLRPEJQ,ARJAWSKDSA,N,6-(3-Hexenyl)tetrahydro-2H-pyran-2-one,UJHDFCVFLRPEJQ-ARJAWSKDSA-N
HMDB37830,302.20932407,C16H30O5,OC(CCCCCCCCC(O)=O)CCCCCC(O)=O,"InChI=1S/C16H30O5/c17-14(11-7-5-9-13-16(20)21)10-6-3-1-2-4-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21)",BNKCVLYEVLBHCL,UHFFFAOYSA,N,xi-7-Hydroxyhexadecanedioic acid,BNKCVLYEVLBHCL-UHFFFAOYSA-N
HMDB37831,302.20932407,C16H30O5,OC(CCCCCCCC(O)=O)CCCCCCC(O)=O,"InChI=1S/C16H30O5/c17-14(11-7-4-5-9-13-16(20)21)10-6-2-1-3-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21)",GZQVGXLMHGPBET,UHFFFAOYSA,N,xi-8-Hydroxyhexadecanedioic acid,GZQVGXLMHGPBET-UHFFFAOYSA-N
HMDB37832,262.193280076,C17H26O2,CC1CC(OC(C)=O)C=C(C)C2CC(CC12)=C(C)C,"InChI=1S/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3",UAVFEMBKDRODDE,UHFFFAOYSA,N,Vetiveryl acetate,UAVFEMBKDRODDE-UHFFFAOYSA-N
HMDB37833,300.826064114,CH2FI2N,F[I]=C[I]=N,"InChI=1S/CH2FI2N/c2-3-1-4-5/h1,5H",POTUGHMKJGOKRI,UHFFFAOYSA,N,Ficin,POTUGHMKJGOKRI-UHFFFAOYSA-N
HMDB37834,211.193614427,C13H25NO,CCNC(=O)C1CC(C)CCC1C(C)C,"InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)",VUNOFAIHSALQQH,UHFFFAOYSA,N,Ethyl menthane carboxamide,VUNOFAIHSALQQH-UHFFFAOYSA-N
HMDB37835,294.03104213,C12H10N2O5S,OC1=CC(O)=C(C=C1)N=NC1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)",MHKGJUOEEHNBLE,UHFFFAOYSA,N,"4-[(2,4-Dihydroxyphenyl)azo]benzenesulfonic acid",MHKGJUOEEHNBLE-UHFFFAOYSA-N
HMDB37836,328.051777572,C16H12N2O4S,OC1=C(\N=N/C2=CC=C(C=C2)S(O)(=O)=O)C2=CC=CC=C2C=C1,"InChI=1S/C16H12N2O4S/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17-",RDUJRVXKAIVTDH,ZCXUNETKSA,N,4-[(2-Hydroxy-1-naphthalenyl)azo]benzenesulfonic acid,RDUJRVXKAIVTDH-ZCXUNETKSA-N
HMDB37837,111.068413915,C6H9NO,CCC1=NC(C)=CO1,"InChI=1S/C6H9NO/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3",SRXOCFLMVTXDRQ,UHFFFAOYSA,N,2-Ethyl-4-methyloxazole,SRXOCFLMVTXDRQ-UHFFFAOYSA-N
HMDB37838,111.068413915,C6H9NO,CCC1=COC(C)=N1,"InChI=1S/C6H9NO/c1-3-6-4-8-5(2)7-6/h4H,3H2,1-2H3",FLRAVPRRUDBVKJ,UHFFFAOYSA,N,4-Ethyl-2-methyloxazole,FLRAVPRRUDBVKJ-UHFFFAOYSA-N
HMDB37839,317.122299977,C12H19N3O7,OC[C@H]1OC(O)(CN[C@@H](CC2=CNC=N2)C(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H19N3O7/c16-3-8-9(17)10(18)12(21,22-8)4-14-7(11(19)20)1-6-2-13-5-15-6/h2,5,7-10,14,16-18,21H,1,3-4H2,(H,13,15)(H,19,20)/t7-,8+,9+,10-,12?/m0/s1",UCRYORFHYVRBIO,PPNLDZOPSA,N,N-(1-Deoxy-1-fructosyl)histidine,UCRYORFHYVRBIO-PPNLDZOPSA-N
HMDB37840,293.147452095,C12H23NO7,CC(C)C[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C12H23NO7/c1-6(2)3-7(11(17)18)13-5-12(19)10(16)9(15)8(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)/t7-,8+,9+,10-,12?/m0/s1",KGTRBDVOUPALMB,PPNLDZOPSA,N,N-(1-Deoxy-1-fructosyl)leucine,KGTRBDVOUPALMB-PPNLDZOPSA-N
HMDB37841,311.103872721,C11H21NO7S,CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C11H21NO7S/c1-20-3-2-6(10(16)17)12-5-11(18)9(15)8(14)7(4-13)19-11/h6-9,12-15,18H,2-5H2,1H3,(H,16,17)/t6-,7+,8+,9-,11?/m0/s1",KEGDHFMPWJTRFP,ZVSNZSLMSA,N,N-(1-Deoxy-1-fructosyl)methionine,KEGDHFMPWJTRFP-ZVSNZSLMSA-N
HMDB37842,267.095416525,C9H17NO8,OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C9H17NO8/c11-1-4(8(15)16)10-3-9(17)7(14)6(13)5(2-12)18-9/h4-7,10-14,17H,1-3H2,(H,15,16)/t4-,5+,6+,7-,9?/m0/s1",KUVQLWYPNUQGDT,MBGOVIFWSA,N,N-(1-Deoxy-1-fructosyl)serine,KUVQLWYPNUQGDT-MBGOVIFWSA-N
HMDB37843,281.111066589,C10H19NO8,CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C10H19NO8/c1-4(13)6(9(16)17)11-3-10(18)8(15)7(14)5(2-12)19-10/h4-8,11-15,18H,2-3H2,1H3,(H,16,17)/t4?,5-,6+,7-,8+,10?/m1/s1",JUBGLICOZRKBCO,KNWYLTHMSA,N,N-(1-Deoxy-1-fructosyl)threonine,JUBGLICOZRKBCO-KNWYLTHMSA-N
HMDB37844,279.131802031,C11H21NO7,CC(C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C11H21NO7/c1-5(2)7(10(16)17)12-4-11(18)9(15)8(14)6(3-13)19-11/h5-9,12-15,18H,3-4H2,1-2H3,(H,16,17)/t6-,7+,8-,9+,11?/m1/s1",OANCGDPJMNPBDV,BUFOXMIFSA,N,N-(1-Deoxy-1-fructosyl)valine,OANCGDPJMNPBDV-BUFOXMIFSA-N
HMDB37845,343.126716653,C15H21NO8,OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C15H21NO8/c17-6-11-12(19)13(20)15(23,24-11)7-16-10(14(21)22)5-8-1-3-9(18)4-2-8/h1-4,10-13,16-20,23H,5-7H2,(H,21,22)/t10-,11+,12+,13-,15?/m0/s1",QLJKHQIODQKMNW,VJDSNFAGSA,N,N-(1-Deoxy-1-fructosyl)tyrosine,QLJKHQIODQKMNW-VJDSNFAGSA-N
HMDB37846,327.131802031,C15H21NO7,OC[C@H]1OC(O)(CN[C@@H](CC2=CC=CC=C2)C(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C15H21NO7/c17-7-11-12(18)13(19)15(22,23-11)8-16-10(14(20)21)6-9-4-2-1-3-5-9/h1-5,10-13,16-19,22H,6-8H2,(H,20,21)/t10-,11+,12+,13-,15?/m0/s1",FAVRCIXPIVJIPN,VJDSNFAGSA,N,N-(1-Deoxy-1-fructosyl)phenylalanine,FAVRCIXPIVJIPN-VJDSNFAGSA-N
HMDB37847,380.158351132,C18H24N2O7,OC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C18H24N2O7/c21-8-14-15(22)16(23)18(26,27-14)9-20-13(17(24)25)6-5-10-7-19-12-4-2-1-3-11(10)12/h1-4,7,13-16,19-23,26H,5-6,8-9H2,(H,24,25)/t13-,14+,15+,16-,18?/m0/s1",WACCHYXNEMWDFW,AXJGUVMDSA,N,N-(1-Deoxy-1-fructosyl)tryptophan,WACCHYXNEMWDFW-AXJGUVMDSA-N
HMDB37848,237.084851839,C8H15NO7,OC[C@H]1OC(O)(CNCC(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C8H15NO7/c10-2-4-6(13)7(14)8(15,16-4)3-9-1-5(11)12/h4,6-7,9-10,13-15H,1-3H2,(H,11,12)/t4-,6-,7+,8?/m1/s1",UKKRCTOBKMVJGX,STUHELBRSA,N,N-(1-Deoxy-1-fructosyl)glycine,UKKRCTOBKMVJGX-STUHELBRSA-N
HMDB37849,172.146329884,C10H20O2,CCCCCCOC(=O)C(C)C,"InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3",CYHBDKTZDLSRMY,UHFFFAOYSA,N,Hexyl 2-methylpropanoate,CYHBDKTZDLSRMY-UHFFFAOYSA-N
HMDB37850,642.143214156,C27H30O18,OCC1OC(OC2=CC(=CC(O)=C2O)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O,"InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)42-12-2-7(1-10(32)16(12)33)24-25(19(36)15-9(31)3-8(30)4-11(15)41-24)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2",FEWRYXXFMHQZRI,UHFFFAOYSA,N,"Myricetin 3,3'-digalactoside",FEWRYXXFMHQZRI-UHFFFAOYSA-N
HMDB37851,350.009637986,C15H10O8S,OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1,"InChI=1S/C15H10O8S/c16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h1-7,16-17H,(H,19,20,21)",UQUHXFINOFUDCC,UHFFFAOYSA,N,Apigenin 7-sulfate,UQUHXFINOFUDCC-UHFFFAOYSA-N
HMDB37852,594.15847029,C27H30O15,OCC1OC(OC2C(O)C(O)C(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C=C3)OC2CO)C(O)C(O)C1O,"InChI=1S/C27H30O15/c28-8-17-20(33)21(34)23(36)27(40-17)42-25-18(9-29)41-26(24(37)22(25)35)38-12-5-13(31)19-14(32)7-15(39-16(19)6-12)10-1-3-11(30)4-2-10/h1-7,17-18,20-31,33-37H,8-9H2",YONLJLRPNAUKHY,UHFFFAOYSA,N,Apigenin 7-[galactosyl-(1->4)-mannoside],YONLJLRPNAUKHY-UHFFFAOYSA-N
HMDB37853,125.084063979,C7H11NO,CCCC1=COC(C)=N1,"InChI=1S/C7H11NO/c1-3-4-7-5-9-6(2)8-7/h5H,3-4H2,1-2H3",RNLOKHYLXARFPN,UHFFFAOYSA,N,2-Methyl-4-propyloxazole,RNLOKHYLXARFPN-UHFFFAOYSA-N
HMDB37854,125.084063979,C7H11NO,CCCC1=NC(C)=CO1,"InChI=1S/C7H11NO/c1-3-4-7-8-6(2)5-9-7/h5H,3-4H2,1-2H3",BUOGNIOVIYHMFO,UHFFFAOYSA,N,4-Methyl-2-propyloxazole,BUOGNIOVIYHMFO-UHFFFAOYSA-N
HMDB37855,139.099714043,C8H13NO,CCCCC1=COC(C)=N1,"InChI=1S/C8H13NO/c1-3-4-5-8-6-10-7(2)9-8/h6H,3-5H2,1-2H3",WLQJVRMHBOMLBM,UHFFFAOYSA,N,4-Butyl-2-methyloxazole,WLQJVRMHBOMLBM-UHFFFAOYSA-N
HMDB37856,153.115364107,C9H15NO,CCCCCC1=COC(C)=N1,"InChI=1S/C9H15NO/c1-3-4-5-6-9-7-11-8(2)10-9/h7H,3-6H2,1-2H3",ZXUCSFQOFMHELZ,UHFFFAOYSA,N,2-Methyl-4-pentyloxazole,ZXUCSFQOFMHELZ-UHFFFAOYSA-N
HMDB37857,153.115364107,C9H15NO,CCCCCC1=NC(C)=CO1,"InChI=1S/C9H15NO/c1-3-4-5-6-9-10-8(2)7-11-9/h7H,3-6H2,1-2H3",QPKLQTHGELMTTA,UHFFFAOYSA,N,4-Methyl-2-pentyloxazole,QPKLQTHGELMTTA-UHFFFAOYSA-N
HMDB37858,111.068413915,C6H9NO,CCC1=NC=C(C)O1,"InChI=1S/C6H9NO/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3",ADIDFXCLFPHHLE,UHFFFAOYSA,N,2-Ethyl-5-methyloxazole,ADIDFXCLFPHHLE-UHFFFAOYSA-N
HMDB37859,111.068413915,C6H9NO,CCC1=CN=C(C)O1,"InChI=1S/C6H9NO/c1-3-6-4-7-5(2)8-6/h4H,3H2,1-2H3",KVHQALCDTOJIBP,UHFFFAOYSA,N,5-Ethyl-2-methyloxazole,KVHQALCDTOJIBP-UHFFFAOYSA-N
HMDB37860,125.084063979,C7H11NO,CCCC1=CN=C(C)O1,"InChI=1S/C7H11NO/c1-3-4-7-5-8-6(2)9-7/h5H,3-4H2,1-2H3",DDDRMAQEYHTVNK,UHFFFAOYSA,N,2-Methyl-5-propyloxazole,DDDRMAQEYHTVNK-UHFFFAOYSA-N
HMDB37861,125.084063979,C7H11NO,CCCC1=NC=C(C)O1,"InChI=1S/C7H11NO/c1-3-4-7-8-5-6(2)9-7/h5H,3-4H2,1-2H3",NZRDFBNIWMSPHP,UHFFFAOYSA,N,5-Methyl-2-propyloxazole,NZRDFBNIWMSPHP-UHFFFAOYSA-N
HMDB37862,153.115364107,C9H15NO,CCCCC1=CN=C(CC)O1,"InChI=1S/C9H15NO/c1-3-5-6-8-7-10-9(4-2)11-8/h7H,3-6H2,1-2H3",KXXJEDOBYWNPME,UHFFFAOYSA,N,5-Butyl-2-ethyloxazole,KXXJEDOBYWNPME-UHFFFAOYSA-N
HMDB37863,111.068413915,C6H9NO,CCC1=C(C)N=CO1,"InChI=1S/C6H9NO/c1-3-6-5(2)7-4-8-6/h4H,3H2,1-2H3",ZLLASJMIAQWDJH,UHFFFAOYSA,N,5-Ethyl-4-methyloxazole,ZLLASJMIAQWDJH-UHFFFAOYSA-N
HMDB37864,167.131014171,C10H17NO,CCCCCC1=C(CC)N=CO1,"InChI=1S/C10H17NO/c1-3-5-6-7-10-9(4-2)11-8-12-10/h8H,3-7H2,1-2H3",YDGSSDOFWZDPLT,UHFFFAOYSA,N,4-Ethyl-5-pentyloxazole,YDGSSDOFWZDPLT-UHFFFAOYSA-N
HMDB37865,125.084063979,C7H11NO,CCC1=NC(C)=C(C)O1,"InChI=1S/C7H11NO/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3",LCYOFVYHDBWYSI,UHFFFAOYSA,N,"2-Ethyl-4,5-dimethyloxazole",LCYOFVYHDBWYSI-UHFFFAOYSA-N
HMDB37866,125.084063979,C7H11NO,CCC1=C(C)OC(C)=N1,"InChI=1S/C7H11NO/c1-4-7-5(2)9-6(3)8-7/h4H2,1-3H3",YZZBROGKUWYQOL,UHFFFAOYSA,N,"4-Ethyl-2,5-dimethyloxazole",YZZBROGKUWYQOL-UHFFFAOYSA-N
HMDB37867,125.084063979,C7H11NO,CCC1=C(C)N=C(C)O1,"InChI=1S/C7H11NO/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3",XOOCKFZHDAFKNK,UHFFFAOYSA,N,"5-Ethyl-2,4-dimethyloxazole",XOOCKFZHDAFKNK-UHFFFAOYSA-N
HMDB37868,139.099714043,C8H13NO,CCCC1=C(C)N=C(C)O1,"InChI=1S/C8H13NO/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3",PSGAPKDEFJWSNU,UHFFFAOYSA,N,"2,4-Dimethyl-5-propyloxazole",PSGAPKDEFJWSNU-UHFFFAOYSA-N
HMDB37869,139.099714043,C8H13NO,CCCC1=NC(C)=C(C)O1,"InChI=1S/C8H13NO/c1-4-5-8-9-6(2)7(3)10-8/h4-5H2,1-3H3",SDRFPOFMNGISHT,UHFFFAOYSA,N,"4,5-Dimethyl-2-propyloxazole",SDRFPOFMNGISHT-UHFFFAOYSA-N
HMDB37870,139.099714043,C8H13NO,CCC1=C(CC)N=C(C)O1,"InChI=1S/C8H13NO/c1-4-7-8(5-2)10-6(3)9-7/h4-5H2,1-3H3",DIGAWDVOQLWBOS,UHFFFAOYSA,N,"4,5-Diethyl-2-methyloxazole",DIGAWDVOQLWBOS-UHFFFAOYSA-N
HMDB37871,139.099714043,C8H13NO,CC(C)C1=NC(C)=C(C)O1,"InChI=1S/C8H13NO/c1-5(2)8-9-6(3)7(4)10-8/h5H,1-4H3",OHMVVHYBMWXHSY,UHFFFAOYSA,N,"4,5-Dimethyl-2-(1-methylethyl)oxazole",OHMVVHYBMWXHSY-UHFFFAOYSA-N
HMDB37872,153.115364107,C9H15NO,CCCC1=C(C)N=C(CC)O1,"InChI=1S/C9H15NO/c1-4-6-8-7(3)10-9(5-2)11-8/h4-6H2,1-3H3",FDMDJAGBUGUESB,UHFFFAOYSA,N,2-Ethyl-4-methyl-5-propyloxazole,FDMDJAGBUGUESB-UHFFFAOYSA-N
HMDB37873,153.115364107,C9H15NO,CCCC1=C(CC)N=C(C)O1,"InChI=1S/C9H15NO/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3",OJFZPFCEFJXLIK,UHFFFAOYSA,N,4-Ethyl-2-methyl-5-propyloxazole,OJFZPFCEFJXLIK-UHFFFAOYSA-N
HMDB37874,153.115364107,C9H15NO,CCC1=C(C)N=C(O1)C(C)C,"InChI=1S/C9H15NO/c1-5-8-7(4)10-9(11-8)6(2)3/h6H,5H2,1-4H3",IEYWMNYHQSDLRX,UHFFFAOYSA,N,5-Ethyl-4-methyl-2-(1-methylethyl)oxazole,IEYWMNYHQSDLRX-UHFFFAOYSA-N
HMDB37875,153.115364107,C9H15NO,CCCCC1=NC(C)=C(C)O1,"InChI=1S/C9H15NO/c1-4-5-6-9-10-7(2)8(3)11-9/h4-6H2,1-3H3",VAGMYBQNOAXNOV,UHFFFAOYSA,N,"2-Butyl-4,5-dimethyloxazole",VAGMYBQNOAXNOV-UHFFFAOYSA-N
HMDB37876,153.115364107,C9H15NO,CCCC1=C(CC)OC(C)=N1,"InChI=1S/C9H15NO/c1-4-6-8-9(5-2)11-7(3)10-8/h4-6H2,1-3H3",UXLXRNTXKGMQEG,UHFFFAOYSA,N,5-Ethyl-2-methyl-4-propyloxazole,UXLXRNTXKGMQEG-UHFFFAOYSA-N
HMDB37877,192.07864425,C11H12O3,COC1=C(OC=O)C=CC(CC=C)=C1,"InChI=1S/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3,5-8H,1,4H2,2H3",JUTKIGGQRLHTJN,UHFFFAOYSA,N,Eugenyl formate,JUTKIGGQRLHTJN-UHFFFAOYSA-N
HMDB37878,153.115364107,C9H15NO,CCC1=C(C)OC(=N1)C(C)C,"InChI=1S/C9H15NO/c1-5-8-7(4)11-9(10-8)6(2)3/h6H,5H2,1-4H3",SGEREWZCOUDFEM,UHFFFAOYSA,N,4-Ethyl-5-methyl-2-(1-methylethyl)oxazole,SGEREWZCOUDFEM-UHFFFAOYSA-N
HMDB37879,153.115364107,C9H15NO,CCCCC1=C(C)OC(C)=N1,"InChI=1S/C9H15NO/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H2,1-3H3",MRXQRKKZDKCDSE,UHFFFAOYSA,N,"4-Butyl-2,5-dimethyloxazole",MRXQRKKZDKCDSE-UHFFFAOYSA-N
HMDB37880,153.115364107,C9H15NO,CC(C)CC1=NC(C)=C(C)O1,"InChI=1S/C9H15NO/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3",SNRVAFQIIFPYDR,UHFFFAOYSA,N,"2-Isobutyl-4,5-dimethyloxazole",SNRVAFQIIFPYDR-UHFFFAOYSA-N
HMDB37881,153.115364107,C9H15NO,CCCC1=NC(CC)=C(C)O1,"InChI=1S/C9H15NO/c1-4-6-9-10-8(5-2)7(3)11-9/h4-6H2,1-3H3",NUKWARDPXKRLRG,UHFFFAOYSA,N,4-Ethyl-5-methyl-2-propyloxazole,NUKWARDPXKRLRG-UHFFFAOYSA-N
HMDB37882,153.115364107,C9H15NO,CCCCC1=C(C)N=C(C)O1,"InChI=1S/C9H15NO/c1-4-5-6-9-7(2)10-8(3)11-9/h4-6H2,1-3H3",IXECKEKKCJBKQJ,UHFFFAOYSA,N,"5-Butyl-2,4-dimethyloxazole",IXECKEKKCJBKQJ-UHFFFAOYSA-N
HMDB37883,167.131014171,C10H17NO,CCCC1=C(CC)N=C(CC)O1,"InChI=1S/C10H17NO/c1-4-7-9-8(5-2)11-10(6-3)12-9/h4-7H2,1-3H3",NEZWJGLSYGBROR,UHFFFAOYSA,N,"2,4-Diethyl-5-propyloxazole",NEZWJGLSYGBROR-UHFFFAOYSA-N
HMDB37884,167.131014171,C10H17NO,CCCCC1=NC(C)=C(CC)O1,"InChI=1S/C10H17NO/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3",WNOQXIPJLNOPEB,UHFFFAOYSA,N,2-Butyl-5-ethyl-4-methyloxazole,WNOQXIPJLNOPEB-UHFFFAOYSA-N
HMDB37885,167.131014171,C10H17NO,CCCCC1=C(CC)N=C(C)O1,"InChI=1S/C10H17NO/c1-4-6-7-10-9(5-2)11-8(3)12-10/h4-7H2,1-3H3",PKLKOVRXISCXGF,UHFFFAOYSA,N,5-Butyl-4-ethyl-2-methyloxazole,PKLKOVRXISCXGF-UHFFFAOYSA-N
HMDB37886,167.131014171,C10H17NO,CCCCC1=NC(CC)=C(C)O1,"InChI=1S/C10H17NO/c1-4-6-7-10-11-9(5-2)8(3)12-10/h4-7H2,1-3H3",PGYVZKVDXNIABS,UHFFFAOYSA,N,2-Butyl-4-ethyl-5-methyloxazole,PGYVZKVDXNIABS-UHFFFAOYSA-N
HMDB37887,167.131014171,C10H17NO,CCCCCC1=NC(C)=C(C)O1,"InChI=1S/C10H17NO/c1-4-5-6-7-10-11-8(2)9(3)12-10/h4-7H2,1-3H3",HLNGYNXFRKTMHQ,UHFFFAOYSA,N,"4,5-Dimethyl-2-pentyloxazole",HLNGYNXFRKTMHQ-UHFFFAOYSA-N
HMDB37888,167.131014171,C10H17NO,CCCCC1=C(C)OC(CC)=N1,"InChI=1S/C10H17NO/c1-4-6-7-9-8(3)12-10(5-2)11-9/h4-7H2,1-3H3",FQGHKCJAKLWLKG,UHFFFAOYSA,N,4-Butyl-2-ethyl-5-methyloxazole,FQGHKCJAKLWLKG-UHFFFAOYSA-N
HMDB37889,181.146664235,C11H19NO,CCCCCC1=NC(C)=C(CC)O1,"InChI=1S/C11H19NO/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3",CJVUTPBIHCDRQD,UHFFFAOYSA,N,5-Ethyl-4-methyl-2-pentyloxazole,CJVUTPBIHCDRQD-UHFFFAOYSA-N
HMDB37890,181.146664235,C11H19NO,CCCCCCC1=C(C)OC(C)=N1,"InChI=1S/C11H19NO/c1-4-5-6-7-8-11-9(2)13-10(3)12-11/h4-8H2,1-3H3",HMYAUWMKFPILNN,UHFFFAOYSA,N,"4-Hexyl-2,5-dimethyloxazole",HMYAUWMKFPILNN-UHFFFAOYSA-N
HMDB37891,181.146664235,C11H19NO,CCCCC1=NC(CC)=C(CC)O1,"InChI=1S/C11H19NO/c1-4-7-8-11-12-9(5-2)10(6-3)13-11/h4-8H2,1-3H3",LVIUUUNWXOKYDD,UHFFFAOYSA,N,"2-Butyl-4,5-diethyloxazole",LVIUUUNWXOKYDD-UHFFFAOYSA-N
HMDB37892,712.294235488,C34H48O16,CC(=O)OC(CC(O)=O)C1(C)C(CC(=O)C2(C)C1CCC(C)(C(OC1OC(CO)C(O)C(O)C1O)C1=COC=C1)C21OC1C(O)=O)C(C)(C)O,"InChI=1S/C34H48O16/c1-15(36)47-21(12-22(38)39)32(5)18-7-9-31(4,34(27(50-34)28(43)44)33(18,6)20(37)11-19(32)30(2,3)45)26(16-8-10-46-14-16)49-29-25(42)24(41)23(40)17(13-35)48-29/h8,10,14,17-19,21,23-27,29,35,40-42,45H,7,9,11-13H2,1-6H3,(H,38,39)(H,43,44)",MUZNNCNJBAPYJF,UHFFFAOYSA,N,Nomilinic acid 17-glucoside,MUZNNCNJBAPYJF-UHFFFAOYSA-N
HMDB37893,510.334524582,C32H46O5,CC(CC\C=C(/C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C,"InChI=1S/C32H46O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-25,27H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+",JVABUELIHJXLKP,RGVLZGJSSA,N,Ganodermic acid TQ,JVABUELIHJXLKP-RGVLZGJSSA-N
HMDB37894,181.146664235,C11H19NO,CCCCC1=NC(CCC)=C(C)O1,"InChI=1S/C11H19NO/c1-4-6-8-11-12-10(7-5-2)9(3)13-11/h4-8H2,1-3H3",JIJACJIEHHDTAK,UHFFFAOYSA,N,2-Butyl-5-methyl-4-propyloxazole,JIJACJIEHHDTAK-UHFFFAOYSA-N
HMDB37895,181.146664235,C11H19NO,CCCCCCC1=NC(C)=C(C)O1,"InChI=1S/C11H19NO/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3",KNPWGHJHGHEJLW,UHFFFAOYSA,N,"2-Hexyl-4,5-dimethyloxazole",KNPWGHJHGHEJLW-UHFFFAOYSA-N
HMDB37896,181.146664235,C11H19NO,CCCCC1=C(C)N=C(CCC)O1,"InChI=1S/C11H19NO/c1-4-6-8-10-9(3)12-11(13-10)7-5-2/h4-8H2,1-3H3",ZCLMRZDAGQVHDO,UHFFFAOYSA,N,5-Butyl-4-methyl-2-propyloxazole,ZCLMRZDAGQVHDO-UHFFFAOYSA-N
HMDB37897,181.146664235,C11H19NO,CCCCCC1=NC(CC)=C(C)O1,"InChI=1S/C11H19NO/c1-4-6-7-8-11-12-10(5-2)9(3)13-11/h4-8H2,1-3H3",XEMLMOMQGUPHIU,UHFFFAOYSA,N,4-Ethyl-5-methyl-2-pentyloxazol,XEMLMOMQGUPHIU-UHFFFAOYSA-N
HMDB37898,195.162314299,C12H21NO,CCCCC1=NC(C)=C(CCCC)O1,"InChI=1S/C12H21NO/c1-4-6-8-11-10(3)13-12(14-11)9-7-5-2/h4-9H2,1-3H3",GJYCWEFBUWYVBX,UHFFFAOYSA,N,"2,5-Dibutyl-4-methyloxazole",GJYCWEFBUWYVBX-UHFFFAOYSA-N
HMDB37899,195.162314299,C12H21NO,CCCCCCC1=NC(C)=C(CC)O1,"InChI=1S/C12H21NO/c1-4-6-7-8-9-12-13-10(3)11(5-2)14-12/h4-9H2,1-3H3",GMYPXSDTCUYNAF,UHFFFAOYSA,N,5-Ethyl-2-hexyl-4-methyloxazole,GMYPXSDTCUYNAF-UHFFFAOYSA-N
HMDB37900,195.162314299,C12H21NO,CCCCCC1=NC(C)=C(CCC)O1,"InChI=1S/C12H21NO/c1-4-6-7-9-12-13-10(3)11(14-12)8-5-2/h4-9H2,1-3H3",WRHMTMNWZFCCEM,UHFFFAOYSA,N,4-Methyl-2-pentyl-5-propyloxazole,WRHMTMNWZFCCEM-UHFFFAOYSA-N
HMDB37901,195.162314299,C12H21NO,CCCCCCC1=NC(CC)=C(C)O1,"InChI=1S/C12H21NO/c1-4-6-7-8-9-12-13-11(5-2)10(3)14-12/h4-9H2,1-3H3",NIFNHMMYQSGDQZ,UHFFFAOYSA,N,4-Ethyl-2-hexyl-5-methyloxazole,NIFNHMMYQSGDQZ-UHFFFAOYSA-N
HMDB37902,195.162314299,C12H21NO,CCCCCCCC1=NC(C)=C(C)O1,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12-13-10(2)11(3)14-12/h4-9H2,1-3H3",SXSHCHONEDOQKB,UHFFFAOYSA,N,"4,5-Dimethyl-2-heptyloxazole",SXSHCHONEDOQKB-UHFFFAOYSA-N
HMDB37904,636.387348012,C35H56O10,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1)C(=O)OC1OCC(O)C(O)C1O,"InChI=1S/C35H56O10/c1-30(2)9-11-35(29(43)45-28-25(41)24(40)22(39)16-44-28)12-10-33(5)18(19(35)13-30)7-8-23-31(3)14-21(38)27(42)32(4,17-36)26(31)20(37)15-34(23,33)6/h7,19-28,36-42H,8-17H2,1-6H3",LHEBDLOFQQYJHH,UHFFFAOYSA,N,Madlongiside C,LHEBDLOFQQYJHH-UHFFFAOYSA-N
HMDB37905,782.44525682,C41H66O14,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC4(C)C2(C)CC3)C(O)C(O)C1O,"InChI=1S/C41H66O14/c1-19-26(46)28(48)29(49)33(53-19)54-30-27(47)24(45)17-52-34(30)55-35(51)41-12-10-36(2,3)14-21(41)20-8-9-25-37(4)15-23(44)32(50)38(5,18-42)31(37)22(43)16-40(25,7)39(20,6)11-13-41/h8,19,21-34,42-50H,9-18H2,1-7H3",XOBTZVANUMVPCS,UHFFFAOYSA,N,Madlongiside D,XOBTZVANUMVPCS-UHFFFAOYSA-N
HMDB37906,236.177630012,C15H24O2,CC(C)=CCCC(C)(O)C1CCC(C)=CC1=O,"InChI=1S/C15H24O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)10-14(13)16/h6,10,13,17H,5,7-9H2,1-4H3",HYQNKKAJVPMBDR,UHFFFAOYSA,N,Hernandulcin,HYQNKKAJVPMBDR-UHFFFAOYSA-N
HMDB37907,212.177630012,C13H24O2,CC1CCC2(O1)C(C)(C)CCCC2(C)O,"InChI=1S/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3",LJOISVFAMDWVFA,UHFFFAOYSA,N,"2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol",LJOISVFAMDWVFA-UHFFFAOYSA-N
HMDB37908,586.386954082,C35H54O7,C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)C2=C1C)C(O)=O,"InChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,22+,23?,24?,25+,27+,28-,29+,32+,33-,34-,35+/m1/s1",GCGPCEUHJCFZIV,DRQOBSTJSA,N,18-Dehydroursolic acid 3-arabinoside,GCGPCEUHJCFZIV-DRQOBSTJSA-N
HMDB37909,766.450342198,C41H66O13,[H][C@@]12[C@H](O)C(C)(C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)C(C)(C)C3CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C41H66O13/c1-36(2)14-16-41(35(50)54-34-31(48)29(46)28(45)22(18-42)52-34)17-15-39(6)20(26(41)32(36)49)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)53-33-30(47)27(44)21(43)19-51-33/h8,21-34,42-49H,9-19H2,1-7H3/t21-,22+,23?,24?,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",SLQHZBXUSQZYTB,ZABDJLAHSA,N,28-Glucosylsiaresinolate 3-arabinoside,SLQHZBXUSQZYTB-ZABDJLAHSA-N
HMDB37910,648.387348012,C36H56O10,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C36H56O10/c1-31(2)14-15-36(30(43)44)19(16-31)18-8-9-21-33(5)12-11-23(45-29-26(40)24(38)25(39)27(46-29)28(41)42)32(3,4)20(33)10-13-34(21,6)35(18,7)17-22(36)37/h8,19-27,29,37-40H,9-17H2,1-7H3,(H,41,42)(H,43,44)",AJLARCXOASFHQQ,UHFFFAOYSA,N,Tragopogonsaponin A,AJLARCXOASFHQQ-UHFFFAOYSA-N
HMDB37911,926.466386192,C50H70O16,O[C@@H]1CO[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@H]1O,"InChI=1S/C50H70O16/c1-45(2)20-21-50(44(61)66-43-40(35(55)29(52)24-62-43)64-34(54)15-10-25-8-11-26(51)12-9-25)28(22-45)27-13-14-31-47(5)18-17-33(63-42-38(58)36(56)37(57)39(65-42)41(59)60)46(3,4)30(47)16-19-48(31,6)49(27,7)23-32(50)53/h8-13,15,28-33,35-40,42-43,51-53,55-58H,14,16-24H2,1-7H3,(H,59,60)/b15-10+/t28-,29+,30?,31?,32+,33-,35-,36-,37-,38+,39-,40+,42+,43-,47-,48+,49+,50+/m0/s1",WXQNYXVJRJEBPT,XLRBPNDWSA,N,Tragopogonsaponin B,WXQNYXVJRJEBPT-XLRBPNDWSA-N
HMDB37912,956.476950878,C51H72O17,COC1=CC(\C=C\C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)C[C@H]3O)=CC=C1O,"InChI=1S/C51H72O17/c1-46(2)19-20-51(45(62)68-44-41(36(56)29(53)24-64-44)66-35(55)14-10-25-9-12-28(52)30(21-25)63-8)27(22-46)26-11-13-32-48(5)17-16-34(65-43-39(59)37(57)38(58)40(67-43)42(60)61)47(3,4)31(48)15-18-49(32,6)50(26,7)23-33(51)54/h9-12,14,21,27,29,31-34,36-41,43-44,52-54,56-59H,13,15-20,22-24H2,1-8H3,(H,60,61)/b14-10+/t27-,29+,31?,32?,33+,34-,36-,37-,38-,39+,40-,41+,43+,44-,48-,49+,50+,51+/m0/s1",CQLXSSXKONOTMU,MTTIROAVSA,N,Tragopogonsaponin C,CQLXSSXKONOTMU-MTTIROAVSA-N
HMDB37913,444.120902994,C26H20O7,COC1=CC(=O)C2=C3OC4=C(C(O)=CC5=C4C=CC(C)(C)O5)C(=O)C3=CC(C(C)=C)=C2C1=O,"InChI=1S/C26H20O7/c1-11(2)13-8-14-22(29)21-16(28)9-17-12(6-7-26(3,4)33-17)24(21)32-25(14)20-15(27)10-18(31-5)23(30)19(13)20/h6-10,28H,1H2,2-5H3",HYOUKKTWDGSFHB,UHFFFAOYSA,N,Artomunoxanthentrione,HYOUKKTWDGSFHB-UHFFFAOYSA-N
HMDB37914,430.344695338,C28H46O3,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2C3=CCC4C[C@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@]12C,"InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)21-11-12-22-23-10-9-20-15-24(29)25(30)16-27(20,6)28(23,31)14-13-26(21,22)5/h7-8,10,17-22,24-25,29-31H,9,11-16H2,1-6H3/b8-7+/t18-,19+,20?,21+,22?,24-,25-,26+,27-,28+/m0/s1",RVWGLBNUTMYAOL,LJJGXUKZSA,N,"(2beta,3alpha,9alpha,24R)-Ergosta-7,22-diene-2,3,9-triol",RVWGLBNUTMYAOL-LJJGXUKZSA-N
HMDB37915,1118.529774308,C57H82O22,OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C(=O)O[C@@H]3[C@@H](O)[C@@H](O)CO[C@H]3OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C3=CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C6CC[C@@]5(C)[C@]3(C)C[C@H]4O)C=C2OC)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C57H82O22/c1-52(2)19-20-57(51(71)79-50-46(38(62)29(59)25-73-50)77-37(61)14-10-26-9-12-30(31(21-26)72-8)74-48-43(67)40(64)39(63)32(24-58)75-48)28(22-52)27-11-13-34-54(5)17-16-36(76-49-44(68)41(65)42(66)45(78-49)47(69)70)53(3,4)33(54)15-18-55(34,6)56(27,7)23-35(57)60/h9-12,14,21,28-29,32-36,38-46,48-50,58-60,62-68H,13,15-20,22-25H2,1-8H3,(H,69,70)/b14-10+/t28-,29-,32+,33?,34?,35+,36-,38-,39+,40-,41-,42-,43+,44+,45-,46+,48+,49+,50-,54-,55+,56+,57+/m0/s1",VPRXKSGJJTXNTG,IILVBNMYSA,N,Tragopogonsaponin D,VPRXKSGJJTXNTG-IILVBNMYSA-N
HMDB37916,340.13107375,C20H20O5,CC(C)=CCC1=CC2=C(OCC3(O)C2OC2=C3C=CC(O)=C2)C=C1O,"InChI=1S/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3",TUXXPRXOVFCNPC,UHFFFAOYSA,N,Glyceollidin II,TUXXPRXOVFCNPC-UHFFFAOYSA-N
HMDB37917,314.07903818,C17H14O6,COC1=CC(O)=C(C=C1)C1=COC2=C(C(O)=CC(OC)=C2)C1=O,"InChI=1S/C17H14O6/c1-21-9-3-4-11(13(18)5-9)12-8-23-15-7-10(22-2)6-14(19)16(15)17(12)20/h3-8,18-19H,1-2H3",FFQUCBRHHMKGND,UHFFFAOYSA,N,"2',5-Dihydroxy-4',7-dimethoxyisoflavone",FFQUCBRHHMKGND-UHFFFAOYSA-N
HMDB37918,314.07903818,C17H14O6,COC1=C(O)C=C(C=C1)C1=COC2=C(C=CC(O)=C2OC)C1=O,"InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3",YYWSNCLFZSMGCM,UHFFFAOYSA,N,"3',7-Dihydroxy-4',8-dimethoxyisoflavone",YYWSNCLFZSMGCM-UHFFFAOYSA-N
HMDB37919,1088.519209622,C56H80O21,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C56H80O21/c1-51(2)20-21-56(50(70)77-49-45(74-36(61)15-10-26-8-11-27(58)12-9-26)43(30(59)25-71-49)75-47-41(66)38(63)37(62)31(24-57)72-47)29(22-51)28-13-14-33-53(5)18-17-35(73-48-42(67)39(64)40(65)44(76-48)46(68)69)52(3,4)32(53)16-19-54(33,6)55(28,7)23-34(56)60/h8-13,15,29-35,37-45,47-49,57-60,62-67H,14,16-25H2,1-7H3,(H,68,69)/b15-10+",QZHICJNADLHUTJ,XNTDXEJSSA,N,Tragopogonsaponin F,QZHICJNADLHUTJ-XNTDXEJSSA-N
HMDB37920,338.115423686,C20H18O5,CC(C)=CCC1=C(O)C=CC(=C1)C1=COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",SWDSVBNAMCDHTF,UHFFFAOYSA,N,"3'-(gamma,gamma-Dimethylallyl)genistein",SWDSVBNAMCDHTF-UHFFFAOYSA-N
HMDB37921,284.032087988,C15H8O6,OC1=CC2=C(C=C1)C1=C(O2)C2=C(O)C=C(O)C=C2OC1=O,"InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)20-14-12(8)15(19)21-11-5-7(17)3-9(18)13(11)14/h1-5,16-18H",WIRRQLQRDSREEG,UHFFFAOYSA,N,Aureol,WIRRQLQRDSREEG-UHFFFAOYSA-N
HMDB37922,336.099773622,C20H16O5,CC(C)=CCC1=C(O)C=CC2=C1OC(=O)C1=C2OC2=C1C=CC(O)=C2,"InChI=1S/C20H16O5/c1-10(2)3-5-12-15(22)8-7-14-18(12)25-20(23)17-13-6-4-11(21)9-16(13)24-19(14)17/h3-4,6-9,21-22H,5H2,1-2H3",FRXPSBUCIWPZMH,UHFFFAOYSA,N,Phaseol,FRXPSBUCIWPZMH-UHFFFAOYSA-N
HMDB37923,1090.534859686,C56H82O21,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)CCC1=CC=C(O)C=C1,"InChI=1S/C56H82O21/c1-51(2)20-21-56(50(70)77-49-45(74-36(61)15-10-26-8-11-27(58)12-9-26)43(30(59)25-71-49)75-47-41(66)38(63)37(62)31(24-57)72-47)29(22-51)28-13-14-33-53(5)18-17-35(73-48-42(67)39(64)40(65)44(76-48)46(68)69)52(3,4)32(53)16-19-54(33,6)55(28,7)23-34(56)60/h8-9,11-13,29-35,37-45,47-49,57-60,62-67H,10,14-25H2,1-7H3,(H,68,69)",GDOFBGFEZUPKAG,UHFFFAOYSA,N,Tragopogonsaponin G,GDOFBGFEZUPKAG-UHFFFAOYSA-N
HMDB37924,1120.545424372,C57H84O22,COC1=CC(CCC(=O)OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7O)C(O)=O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)=CC=C1O,"InChI=1S/C57H84O22/c1-52(2)19-20-57(51(71)79-50-46(76-37(62)14-10-26-9-12-29(59)31(21-26)72-8)44(30(60)25-73-50)77-48-42(67)39(64)38(63)32(24-58)74-48)28(22-52)27-11-13-34-54(5)17-16-36(75-49-43(68)40(65)41(66)45(78-49)47(69)70)53(3,4)33(54)15-18-55(34,6)56(27,7)23-35(57)61/h9,11-12,21,28,30,32-36,38-46,48-50,58-61,63-68H,10,13-20,22-25H2,1-8H3,(H,69,70)",KGBRFKGPHZOVCQ,UHFFFAOYSA,N,Tragopogonsaponin J,KGBRFKGPHZOVCQ-UHFFFAOYSA-N
HMDB37925,912.487121634,C50H72O15,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C50H72O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-13,15,29-35,37-43,51-55,57-59H,14,16-25H2,1-7H3/b15-10+",MTYGCVPOKVNXNH,XNTDXEJSSA,N,Tragopogonsaponin K,MTYGCVPOKVNXNH-XNTDXEJSSA-N
HMDB37926,914.502771698,C50H74O15,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)CCC1=CC=C(O)C=C1,"InChI=1S/C50H74O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-9,11-13,29-35,37-43,51-55,57-59H,10,14-25H2,1-7H3",CCLLWPLSBGBSKT,UHFFFAOYSA,N,Tragopogonsaponin L,CCLLWPLSBGBSKT-UHFFFAOYSA-N
HMDB37927,434.084911418,C20H18O11,OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C20H18O11/c21-9-2-1-7(3-10(9)22)19-17(27)16(26)14-11(23)4-8(5-13(14)31-19)30-20-18(28)15(25)12(24)6-29-20/h1-5,12,15,18,20-25,27-28H,6H2",RRZGGCNIIVPLCJ,UHFFFAOYSA,N,Quercetin 7-xyloside,RRZGGCNIIVPLCJ-UHFFFAOYSA-N
HMDB37928,580.142820226,C26H28O15,CC1OC(OC2C(O)C(O)COC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C26H28O15/c1-8-17(32)20(35)21(36)25(38-8)41-24-18(33)14(31)7-37-26(24)40-23-19(34)16-13(30)5-10(27)6-15(16)39-22(23)9-2-3-11(28)12(29)4-9/h2-6,8,14,17-18,20-21,24-33,35-36H,7H2,1H3",IKTXLMAFUIXYTI,UHFFFAOYSA,N,Quercetin 3-[rhamnosyl-(1->2)-alpha-L-arabinopyranoside],IKTXLMAFUIXYTI-UHFFFAOYSA-N
HMDB37929,944.513336384,C51H76O16,COC1=CC(CCC(=O)OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)=CC=C1O,"InChI=1S/C51H76O16/c1-46(2)19-20-51(28(22-46)27-11-13-34-48(5)17-16-35(55)47(3,4)33(48)15-18-49(34,6)50(27,7)23-36(51)56)45(61)67-44-42(65-37(57)14-10-26-9-12-29(53)31(21-26)62-8)41(30(54)25-63-44)66-43-40(60)39(59)38(58)32(24-52)64-43/h9,11-12,21,28,30,32-36,38-44,52-56,58-60H,10,13-20,22-25H2,1-8H3",ZIEJINKTIDWSTF,UHFFFAOYSA,N,Tragopogonsaponin M,ZIEJINKTIDWSTF-UHFFFAOYSA-N
HMDB37930,1250.572033052,C62H90O26,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)\C=C\C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C62H90O26/c1-57(2)20-21-62(30(22-57)29-13-14-35-59(5)18-17-37(84-54-47(76)43(72)44(73)49(87-54)51(77)78)58(3,4)34(59)16-19-60(35,6)61(29,7)23-36(62)66)56(79)88-55-50(48(31(65)26-80-55)86-53-46(75)42(71)40(69)33(25-64)83-53)85-38(67)15-10-27-8-11-28(12-9-27)81-52-45(74)41(70)39(68)32(24-63)82-52/h8-13,15,30-37,39-50,52-55,63-66,68-76H,14,16-26H2,1-7H3,(H,77,78)/b15-10+",OAGSYWJOJWVKBS,XNTDXEJSSA,N,Tragopogonsaponin N,OAGSYWJOJWVKBS-XNTDXEJSSA-N
HMDB37931,1252.587683116,C62H92O26,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)CCC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C62H92O26/c1-57(2)20-21-62(30(22-57)29-13-14-35-59(5)18-17-37(84-54-47(76)43(72)44(73)49(87-54)51(77)78)58(3,4)34(59)16-19-60(35,6)61(29,7)23-36(62)66)56(79)88-55-50(48(31(65)26-80-55)86-53-46(75)42(71)40(69)33(25-64)83-53)85-38(67)15-10-27-8-11-28(12-9-27)81-52-45(74)41(70)39(68)32(24-63)82-52/h8-9,11-13,30-37,39-50,52-55,63-66,68-76H,10,14-26H2,1-7H3,(H,77,78)",QWZSYOUUCSCLRQ,UHFFFAOYSA,N,Tragopogonsaponin O,QWZSYOUUCSCLRQ-UHFFFAOYSA-N
HMDB37932,464.095476104,C21H20O12,OC[C@H]1O[C@@H](OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",OIUBYZLTFSLSBY,HMGRVEAOSA,N,Quercetin 4'-glucoside,OIUBYZLTFSLSBY-HMGRVEAOSA-N
HMDB37933,610.153384912,C27H30O16,CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3",FYBMGZSDYDNBFX,UHFFFAOYSA,N,Calendoflavobioside,FYBMGZSDYDNBFX-UHFFFAOYSA-N
HMDB37934,610.153384912,C27H30O16,CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C(O)=C(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O16/c1-8-17(31)20(34)23(37)26(40-8)39-7-15-18(32)21(35)24(38)27(43-15)41-10-5-13(30)16-14(6-10)42-25(22(36)19(16)33)9-2-3-11(28)12(29)4-9/h2-6,8,15,17-18,20-21,23-24,26-32,34-38H,7H2,1H3",IVTMALDHFAHOGL,UHFFFAOYSA,N,Quercetin 7-rutinoside,IVTMALDHFAHOGL-UHFFFAOYSA-N
HMDB37935,610.153384912,C27H30O16,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3",CAENGMLSMONNBU,UHFFFAOYSA,N,Multinoside A,CAENGMLSMONNBU-UHFFFAOYSA-N
HMDB37936,772.206208342,C33H40O21,CC1OC(OC2C(O)C(O)C(COC3OC(CO)C(O)C(O)C3O)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3",NRTALHZHXXNSOY,UHFFFAOYSA,N,Quercetin 3-(2G-rhamnosylgentiobioside),NRTALHZHXXNSOY-UHFFFAOYSA-N
HMDB37937,788.201122964,C33H40O22,OCC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-8-17-21(42)25(46)30(55-32-27(48)24(45)20(41)16(7-35)52-32)33(53-17)54-29-22(43)18-13(39)4-10(36)5-14(18)50-28(29)9-1-2-11(37)12(38)3-9/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2",QSUCYXFFQLQGKE,UHFFFAOYSA,N,Quercetin 3-(2G-glucosylgentiobioside),QSUCYXFFQLQGKE-UHFFFAOYSA-N
HMDB37938,934.2379024,C42H46O24,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C42H46O24/c43-12-23-29(52)34(57)39(41(61-23)64-37-31(54)27-21(49)10-18(46)11-22(27)60-36(37)16-4-7-19(47)20(48)9-16)66-42-38(33(56)28(51)24(13-44)62-42)65-40-35(58)32(55)30(53)25(63-40)14-59-26(50)8-3-15-1-5-17(45)6-2-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-3+",FMSINIOOEFEVRZ,FPYGCLRLSA,N,Quercetin 3-[p-coumaroyl-(->6)-glucosyl-(1->2)-glucosyl-(1->2)-glucoside],FMSINIOOEFEVRZ-FPYGCLRLSA-N
HMDB37939,1074.539945064,C56H82O20,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)\C=C\C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C56H82O20/c1-51(2)20-21-56(30(22-51)29-13-14-35-53(5)18-17-36(60)52(3,4)34(53)16-19-54(35,6)55(29,7)23-37(56)61)50(69)76-49-46(45(31(59)26-70-49)75-48-44(68)42(66)40(64)33(25-58)73-48)74-38(62)15-10-27-8-11-28(12-9-27)71-47-43(67)41(65)39(63)32(24-57)72-47/h8-13,15,30-37,39-49,57-61,63-68H,14,16-26H2,1-7H3/b15-10+",FHXCKSCAVVICTO,XNTDXEJSSA,N,Tragopogonsaponin Q,FHXCKSCAVVICTO-XNTDXEJSSA-N
HMDB37940,1282.598247802,C63H94O27,COC1=CC(CCC(=O)OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7O)C(O)=O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)=CC=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C63H94O27/c1-58(2)19-20-63(29(22-58)28-11-13-36-60(5)17-16-38(86-55-48(77)44(73)45(74)50(89-55)52(78)79)59(3,4)35(60)15-18-61(36,6)62(28,7)23-37(63)67)57(80)90-56-51(49(30(66)26-82-56)88-54-47(76)43(72)41(70)34(25-65)85-54)87-39(68)14-10-27-9-12-31(32(21-27)81-8)83-53-46(75)42(71)40(69)33(24-64)84-53/h9,11-12,21,29-30,33-38,40-51,53-56,64-67,69-77H,10,13-20,22-26H2,1-8H3,(H,78,79)",HZIXJRZPQXXBJB,UHFFFAOYSA,N,Tragopogonsaponin R,HZIXJRZPQXXBJB-UHFFFAOYSA-N
HMDB37941,428.329045274,C28H44O3,CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(O)CC33OOC21C=C3,"InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+",VXOZCESVZIRHCJ,BQYQJAHWSA,N,Ergosterol peroxide,VXOZCESVZIRHCJ-BQYQJAHWSA-N
HMDB37942,230.105527702,C13H14N2O2,CC1NC(CC2=C1NC1=CC=CC=C21)C(O)=O,"InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)",ZUPHXNBLQCSEIA,UHFFFAOYSA,N,"(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid",ZUPHXNBLQCSEIA-UHFFFAOYSA-N
HMDB37943,452.131861593,C21H24O11,OCC1OC(OC2CC3=C(OC2C2=CC(O)=C(O)C=C2)C=C(O)C=C3O)C(O)C(O)C1O,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2",YOVYWMDLYSJYPO,UHFFFAOYSA,N,Epicatechin 3-glucoside,YOVYWMDLYSJYPO-UHFFFAOYSA-N
HMDB37944,442.08999678,C22H18O10,OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1",LSHVYAFMTMFKBA,TZIWHRDSSA,N,(-)-Epicatechin 3-O-gallate,LSHVYAFMTMFKBA-TZIWHRDSSA-N
HMDB37945,456.10564686,C23H20O10,COC1=CC(=CC(O)=C1O)C(=O)O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O,"InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1",XGTBMCGGGJLOPS,IFMALSPDSA,N,Epicatechin 3-O-(3-O-methylgallate),XGTBMCGGGJLOPS-IFMALSPDSA-N
HMDB37946,452.13186161,C21H24O11,OCC1OC(OC2=C(O)C=CC(=C2)C2OC3=CC(O)=CC(O)=C3CC2O)C(O)C(O)C1O,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2",ZZTOVZGFHZQEAT,UHFFFAOYSA,N,Catechin 3'-glucoside,ZZTOVZGFHZQEAT-UHFFFAOYSA-N
HMDB37947,442.089996796,C22H18O10,OC1CC2=C(O)C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2OC1C1=CC(O)=C(O)C=C1,"InChI=1S/C22H18O10/c23-13-2-1-9(3-15(13)25)21-18(28)8-12-14(24)6-11(7-19(12)32-21)31-22(30)10-4-16(26)20(29)17(27)5-10/h1-7,18,21,23-29H,8H2",WKIHBIBUCQPPBY,UHFFFAOYSA,N,7-Galloylcatechin,WKIHBIBUCQPPBY-UHFFFAOYSA-N
HMDB37948,452.13186161,C21H24O11,OCC1OC(OC2=CC(O)=CC3=C2CC(O)C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-5,13,16-29H,6-7H2",ZESJTWVSXGZYTD,UHFFFAOYSA,N,Catechin 5-glucoside,ZESJTWVSXGZYTD-UHFFFAOYSA-N
HMDB37949,452.13186161,C21H24O11,OCC1OC(OC2=CC(O)=C3CC(O)C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2",VLFIBROLAXKPQK,UHFFFAOYSA,N,Catechin 7-glucoside,VLFIBROLAXKPQK-UHFFFAOYSA-N
HMDB37950,614.18468504,C27H34O16,OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C=C(C=C2)C2OC3=CC(O)=CC(O)=C3CC2O)C(O)C(O)C1O,"InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(25-13(32)6-11-12(31)4-10(30)5-15(11)39-25)3-16(14)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,13,17-38H,6-8H2",WEXDMQBFSBEMLP,UHFFFAOYSA,N,"Catechin 3',4'-diglucoside",WEXDMQBFSBEMLP-UHFFFAOYSA-N
HMDB37951,614.18468504,C27H34O16,OCC1OC(OC2=CC(O)=CC3=C2CC(O)C(O3)C2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-13(32)25(39-14)9-1-2-12(31)16(3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,13,17-38H,6-8H2",LCSWUKTXJWVVJX,UHFFFAOYSA,N,"Catechin 3',5-diglucoside",LCSWUKTXJWVVJX-UHFFFAOYSA-N
HMDB37952,614.18468504,C27H34O16,OCC1OC(OC2=CC(O)=C3CC(O)C(OC3=C2)C2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-14(32)25(40-15(11)5-10)9-1-2-12(30)16(3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,14,17-38H,6-8H2",QTRNMQGMJVCPJM,UHFFFAOYSA,N,"Catechin 3',7-diglucoside",QTRNMQGMJVCPJM-UHFFFAOYSA-N
HMDB37953,290.07903818,C15H14O6,O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",PFTAWBLQPZVEMU,DZGCQCFKSA,N,(-)-Catechin,PFTAWBLQPZVEMU-DZGCQCFKSA-N
HMDB37954,290.07903818,C15H14O6,O[C@H]1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2O,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1",PFTAWBLQPZVEMU,ZFWWWQNUSA,N,(+)-Epicatechin,PFTAWBLQPZVEMU-ZFWWWQNUSA-N
HMDB37955,330.110338308,C18H18O6,COC1=CC(OC)=C2CC(O)C(OC2=C1)C1=CC2=C(OCO2)C=C1,"InChI=1S/C18H18O6/c1-20-11-6-15(21-2)12-8-13(19)18(24-16(12)7-11)10-3-4-14-17(5-10)23-9-22-14/h3-7,13,18-19H,8-9H2,1-2H3",MMKQEVQTCAAXTI,UHFFFAOYSA,N,"(±)-3',4'-Methylenedioxy-5,7-dimethylepicatechin",MMKQEVQTCAAXTI-UHFFFAOYSA-N
HMDB37956,590.381868704,C34H54O8,CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(CC33OOC21C=C3)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+",CKJZKFPVVUQBMB,BQYQJAHWSA,N,"(24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside",CKJZKFPVVUQBMB-BQYQJAHWSA-N
HMDB37957,772.206208342,C33H40O21,CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3",SPUFXPFDJYNCFD,UHFFFAOYSA,N,Quercetin 3-rutinoside 7-galactoside,SPUFXPFDJYNCFD-UHFFFAOYSA-N
HMDB37958,934.259031772,C39H50O26,CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C39H50O26/c1-10-21(44)26(49)30(53)36(58-10)57-9-19-24(47)29(52)33(56)39(64-19)65-35-25(48)20-14(43)5-12(59-37-31(54)27(50)22(45)17(7-40)62-37)6-16(20)60-34(35)11-2-3-13(42)15(4-11)61-38-32(55)28(51)23(46)18(8-41)63-38/h2-6,10,17-19,21-24,26-33,36-47,49-56H,7-9H2,1H3",OMIUWTZERGHBER,UHFFFAOYSA,N,"Quercetin 3-rutinoside 3',7-diglucoside",OMIUWTZERGHBER-UHFFFAOYSA-N
HMDB37959,756.21129372,C33H40O20,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3",HKNBJSRIYRDSLB,UHFFFAOYSA,N,Manghaslin,HKNBJSRIYRDSLB-UHFFFAOYSA-N
HMDB37960,772.206208342,C33H40O21,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(49-9)48-8-17-21(41)25(45)30(54-32-27(47)24(44)20(40)16(7-34)51-32)33(52-17)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3",MNMUPTOJETVJCW,UHFFFAOYSA,N,Quercetin 3-(2G-glucosylrutinoside),MNMUPTOJETVJCW-UHFFFAOYSA-N
HMDB37961,368.256274262,C21H36O5,CC1OC(OC(C)(C)C2CCC3(C)CCCC(C)=C3C2)C(O)C(O)C1O,"InChI=1S/C21H36O5/c1-12-7-6-9-21(5)10-8-14(11-15(12)21)20(3,4)26-19-18(24)17(23)16(22)13(2)25-19/h13-14,16-19,22-24H,6-11H2,1-5H3",QKXSRJAHTPTJNG,UHFFFAOYSA,N,gamma-Eudesmol rhamnoside,QKXSRJAHTPTJNG-UHFFFAOYSA-N
HMDB37963,486.334524582,C30H46O5,CC1C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CCC1=C)C(O)=O,"InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,18,20-24,31-33H,1,8-16H2,2-6H3,(H,34,35)",FFMVHFPLIIYYNC,UHFFFAOYSA,N,Actinidic acid,FFMVHFPLIIYYNC-UHFFFAOYSA-N
HMDB37964,1096.29072583,C48H56O29,OCC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O,"InChI=1S/C48H56O29/c49-12-24-30(57)35(62)39(66)45(71-24)69-19-10-22(55)29-23(11-19)70-41(17-4-7-20(53)21(54)9-17)42(34(29)61)75-47-44(38(65)32(59)25(13-50)72-47)77-48-43(37(64)31(58)26(14-51)73-48)76-46-40(67)36(63)33(60)27(74-46)15-68-28(56)8-3-16-1-5-18(52)6-2-16/h1-11,24-27,30-33,35-40,43-55,57-60,62-67H,12-15H2/b8-3+",CSCMWYBIYIPMJK,FPYGCLRLSA,N,Pisumflavonoside II,CSCMWYBIYIPMJK-FPYGCLRLSA-N
HMDB37965,730.153384912,C37H30O16,OC1CC2=C(O)C=C(O)C(C3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2OC1C1=CC=C(O)C(O)=C1,"InChI=1S/C37H30O16/c38-16-9-23(44)29-28(10-16)51-34(14-2-4-19(40)22(43)6-14)36(53-37(50)15-7-25(46)32(49)26(47)8-15)31(29)30-24(45)12-20(41)17-11-27(48)33(52-35(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,27,31,33-34,36,38-49H,11H2",BXWABJPTCUDBMM,UHFFFAOYSA,N,ent-Epicatechin-(4alpha->8)-ent-epicatechin 3-gallate,BXWABJPTCUDBMM-UHFFFAOYSA-N
HMDB37966,730.153384912,C37H30O16,OC1C(OC2=CC(O)=CC(O)=C2C1C1=C(O)C=C(O)C2=C1OC(C(C2)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C37H30O16/c38-16-9-23(44)29-27(10-16)51-35(14-2-4-19(40)22(43)6-14)33(49)31(29)30-24(45)12-20(41)17-11-28(52-37(50)15-7-25(46)32(48)26(47)8-15)34(53-36(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,28,31,33-35,38-49H,11H2",VLFKNLZNDSEVBZ,UHFFFAOYSA,N,ent-Epicatechin-(4alpha->8)-ent-epicatechin 3'-gallate,VLFKNLZNDSEVBZ-UHFFFAOYSA-N
HMDB37967,882.164343528,C44H34O20,OC1=CC(O)=C2[C@@H]([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC=C(O)C(O)=C1)C1=C2O[C@@H]([C@@H](CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39-,40-,42-/m1/s1",KTLUHRSHFRODPS,RIQPQZJCSA,N,"3,3'-Digalloylprocyanidin B2",KTLUHRSHFRODPS-RIQPQZJCSA-N
HMDB37968,578.142426296,C30H26O12,OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2OC1C1=CC=C(O)C(O)=C1,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",XFZJEEAOWLFHDH,UHFFFAOYSA,N,ent-Epicatechin(4alpha->8)catechin,XFZJEEAOWLFHDH-UHFFFAOYSA-N
HMDB37969,252.172544633,C15H24O3,CC1CC(=O)C=C2CCC(CC12C)C(C)(O)CO,"InChI=1S/C15H24O3/c1-10-6-13(17)7-11-4-5-12(8-14(10,11)2)15(3,18)9-16/h7,10,12,16,18H,4-6,8-9H2,1-3H3",DJPISZPEZJGKKI,UHFFFAOYSA,N,Urodiolenone,DJPISZPEZJGKKI-UHFFFAOYSA-N
HMDB37970,520.121690854,C24H24O13,COC1=C(O)C=C(C=C1O)C1=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C24H24O13/c1-8-20(35-9(2)25)18(31)19(32)24(34-8)37-23-17(30)16-12(27)6-11(26)7-15(16)36-21(23)10-4-13(28)22(33-3)14(29)5-10/h4-8,18-20,24,26-29,31-32H,1-3H3",SQTSPIMCWRYNFT,UHFFFAOYSA,N,Eujambolin,SQTSPIMCWRYNFT-UHFFFAOYSA-N
HMDB37971,491.1189512,C23H23O12,CC(=O)OC1C(CO)OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C23H22O12/c1-9(25)32-22-18(8-24)35-23(20(31)19(22)30)34-17-7-12-14(28)5-11(26)6-16(12)33-21(17)10-2-3-13(27)15(29)4-10/h2-7,18-20,22-24,30-31H,8H2,1H3,(H3-,26,27,28,29)/p+1",WCYSXTJZNKVDKY,UHFFFAOYSA,O,Cyanidin 3-(4-acetylglucoside),WCYSXTJZNKVDKY-UHFFFAOYSA-O
HMDB37972,419.097821828,C20H19O10,OC[C@@H]1O[C@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O,"InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17-,18+,20-/m0/s1",SBBFXSBQYRSIPP,GNBUJSLZSA,O,Cyanidin 3-arabinoside,SBBFXSBQYRSIPP-GNBUJSLZSA-O
HMDB37973,773.214033374,C33H41O21,OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(CO)C(O)C(O)C4O)C=C23)C2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H40O21/c34-7-18-21(39)24(42)27(45)31(52-18)49-15-5-11(37)4-14-12(15)6-17(51-33-29(47)26(44)23(41)20(9-36)54-33)30(48-14)10-1-2-13(38)16(3-10)50-32-28(46)25(43)22(40)19(8-35)53-32/h1-6,18-29,31-36,39-47H,7-9H2,(H-,37,38)/p+1",ZOEXTKFPTHFWDY,UHFFFAOYSA,O,"Cyanidin 3,3',5-triglucoside",ZOEXTKFPTHFWDY-UHFFFAOYSA-O
HMDB37974,535.108780444,C24H23O14,OC1C(COC(=O)CC(O)=O)OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1",ROQLTZUOXIQBDO,UHFFFAOYSA,O,Cyanidin 3-(6''-malonylglucoside),ROQLTZUOXIQBDO-UHFFFAOYSA-O
HMDB37975,433.113471892,C21H21O10,CC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O10/c1-8-17(26)18(27)19(28)21(29-8)31-16-7-11-13(24)5-10(22)6-15(11)30-20(16)9-2-3-12(23)14(25)4-9/h2-8,17-19,21,26-28H,1H3,(H3-,22,23,24,25)/p+1",USWXMMRFOWNEOR,UHFFFAOYSA,O,Cyanidin 3-rhamnoside,USWXMMRFOWNEOR-UHFFFAOYSA-O
HMDB37976,581.150645258,C26H29O15,OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1",ZPPQIOUITZSYAO,UHFFFAOYSA,O,Cyanidin 3-sambubioside,ZPPQIOUITZSYAO-UHFFFAOYSA-O
HMDB37977,449.108386514,C21H21O11,OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1",RKWHWFONKJEUEF,WVXKDWSHSA,O,Cyanidin 3-galactoside,RKWHWFONKJEUEF-WVXKDWSHSA-O
HMDB37978,449.108386514,C21H21O11,OCC1OC(OC2=CC(O)=C3C=C(O)C(=[O+]C3=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1",WCZDQPXNBJTKPI,UHFFFAOYSA,O,Cyanidin 7-glucoside,WCZDQPXNBJTKPI-UHFFFAOYSA-O
HMDB37979,1185.32985099,C55H61O29,COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@@H](OC4=C([O+]=C5C=C(O)C=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5=C4)C4=CC(O)=C(O)C=C4)O[C@H](COC(=O)\C=C\C4=CC(OC)=C(O)C(OC)=C4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O,"InChI=1S/C55H60O29/c1-72-31-11-22(12-32(73-2)41(31)62)5-9-39(60)76-20-37-44(65)47(68)50(71)54(82-37)84-52-48(69)45(66)38(21-77-40(61)10-6-23-13-33(74-3)42(63)34(14-23)75-4)83-55(52)80-35-18-26-29(78-51(35)24-7-8-27(58)28(59)15-24)16-25(57)17-30(26)79-53-49(70)46(67)43(64)36(19-56)81-53/h5-18,36-38,43-50,52-56,64-71H,19-21H2,1-4H3,(H4-,57,58,59,60,61,62,63)/p+1/t36-,37-,38-,43-,44-,45-,46+,47+,48+,49-,50-,52-,53-,54+,55+/m1/s1",OMKHCRCKDGASQY,SYFUIQBDSA,O,Cyanidin 3-(disinapoylsophoroside) 5-glucoside,OMKHCRCKDGASQY-SYFUIQBDSA-O
HMDB37980,743.203468688,C32H39O20,OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1",OLBLWNPOURNBCY,UHFFFAOYSA,O,Cyanidin 3-sambubioside 5-glucoside,OLBLWNPOURNBCY-UHFFFAOYSA-O
HMDB37981,859.214427304,C36H43O24,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@H]2OC2=CC3=C(C=C(O)C=C3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C36H42O24/c37-8-19-24(45)27(48)30(51)34(57-19)55-17-5-12(39)4-16-13(17)6-18(32(54-16)11-1-2-14(40)15(41)3-11)56-36-33(60-35-31(52)28(49)25(46)20(9-38)58-35)29(50)26(47)21(59-36)10-53-23(44)7-22(42)43/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)/p+1/t19-,20-,21-,24-,25-,26-,27+,28+,29+,30-,31-,33-,34-,35+,36-/m1/s1",ASCBTZBIOSPIRQ,DTYOCLMRSA,O,Cyanidin 3-(malonylsophoroside) 5-glucoside,ASCBTZBIOSPIRQ-DTYOCLMRSA-O
HMDB37982,595.14516595,C30H27O13,OC1C(C\[O+]=C(/O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(=O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/b8-3+",QAOBEOXFSUJDJL,FPYGCLRLSA,O,Hyacinthin,QAOBEOXFSUJDJL-FPYGCLRLSA-O
HMDB37983,773.192904002,C36H37O19,OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(COC(=O)\C=C\C5=CC(O)=C(O)C=C5)C(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)35(54-25)52-23-10-16(38)9-22-17(23)11-24(34(51-22)15-3-5-19(40)21(42)8-15)53-36-33(49)31(47)29(45)26(55-36)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1",VPWIBNQGHJUEJI,UHFFFAOYSA,O,Cyanidin 3-(6-caffeoylglucoside) 5-glucoside,VPWIBNQGHJUEJI-UHFFFAOYSA-O
HMDB37984,419.097821828,C20H19O10,OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O,"InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17+,18-,20-/m1/s1",SBBFXSBQYRSIPP,AJYBTWMASA,O,Cyanidin 3-xyloside,SBBFXSBQYRSIPP-AJYBTWMASA-O
HMDB37985,379.996676854,C16H10Cl2N2O5,OC1(CC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C(=O)NC2=C(Cl)C=C(Cl)C=C12,"InChI=1S/C16H10Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23H,7H2,(H,19,22)",CGVKNDAEXKLQAY,UHFFFAOYSA,N,Cyananin,CGVKNDAEXKLQAY-UHFFFAOYSA-N
HMDB37986,611.161209944,C27H31O16,OCC1OC(OC2=C(O)C=CC(=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O,"InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-3-9(1-2-12(15)31)25-16(6-11-13(32)4-10(30)5-14(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1",MNKUMWVPHXPSLS,UHFFFAOYSA,O,"Cyanidin 3,3'-diglucoside",MNKUMWVPHXPSLS-UHFFFAOYSA-O
HMDB37987,787.208554066,C37H39O19,COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3=C([O+]=C4C=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)=C1,"InChI=1S/C37H38O19/c1-50-24-8-15(2-5-20(24)41)3-7-28(43)51-14-27-30(45)32(47)34(49)37(56-27)54-25-12-18-22(52-35(25)16-4-6-19(40)21(42)9-16)10-17(39)11-23(18)53-36-33(48)31(46)29(44)26(13-38)55-36/h2-12,26-27,29-34,36-38,44-49H,13-14H2,1H3,(H3-,39,40,41,42,43)/p+1",NDRLBVWGLKJENX,UHFFFAOYSA,O,Cyanidin 3-(6''-ferulylglucoside) 5-glucoside,NDRLBVWGLKJENX-UHFFFAOYSA-O
HMDB37988,757.219118752,C33H41O20,CC1OC(OCC2OC(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O20/c1-10-21(39)24(42)27(45)31(48-10)47-9-20-23(41)26(44)30(53-32-28(46)25(43)22(40)19(8-34)51-32)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1",MSUVUDCULKNUJL,UHFFFAOYSA,O,Cyanidin 3-(2G-glucosylrutinoside),MSUVUDCULKNUJL-UHFFFAOYSA-O
HMDB37989,419.097821828,C20H19O10,OC1COC(\[O+]=C2/C=C(O)C3=CC(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C20H18O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-6,15,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1",ITSUAAYFFATPLH,UHFFFAOYSA,O,Cyanidin 7-arabinoside,ITSUAAYFFATPLH-UHFFFAOYSA-O
HMDB37990,449.108386514,C21H21O11,OCC1OC(OC2=C(O)C=C(C=C2)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1",CSNMEDJMOXSNRZ,UHFFFAOYSA,O,Cyanidin 4'-glucoside,CSNMEDJMOXSNRZ-UHFFFAOYSA-O
HMDB37991,611.161209944,C27H31O16,OCC1OC(OC2=C(O)C=C(C=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O,"InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(3-13(14)32)25-16(6-11-12(31)4-10(30)5-15(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1",RNNDUDNKXCUQFJ,UHFFFAOYSA,O,"Cyanidin 3,4'-diglucoside",RNNDUDNKXCUQFJ-UHFFFAOYSA-O
HMDB37992,274.204513464,C17H26N2O,CCC1=C(C)NC2=C1C(=O)C(CN1CCCCC1)CC2,"InChI=1S/C17H26N2O/c1-3-14-12(2)18-15-8-7-13(17(20)16(14)15)11-19-9-5-4-6-10-19/h13,18H,3-11H2,1-2H3",XVOGXJDOZKYLGW,UHFFFAOYSA,N,Cyanidin 3-(diferuloylsophoroside) 5-glucoside,XVOGXJDOZKYLGW-UHFFFAOYSA-N
HMDB37993,595.166295322,C27H31O15,CC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(38-9)41-17-7-12-15(39-25(17)10-2-3-13(30)14(31)4-10)5-11(29)6-16(12)40-27-24(37)22(35)20(33)18(8-28)42-27/h2-7,9,18-24,26-28,32-37H,8H2,1H3,(H2-,29,30,31)/p+1",MVXCPXSXBRABAU,UHFFFAOYSA,O,Cyanidin 3-rhamnoside 5-glucoside,MVXCPXSXBRABAU-UHFFFAOYSA-O
HMDB37994,727.208554066,C32H39O19,CC1OC(OCC2OC(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1",ZSWXIMXLLJRVFT,UHFFFAOYSA,O,Cyanidin 3-(2G-xylosylrutinoside),ZSWXIMXLLJRVFT-UHFFFAOYSA-O
HMDB37995,773.214033374,C33H41O21,OCC1OC(OC2C(OC3C(OC4=C([O+]=C5C=C(O)C=C(O)C5=C4)C4=CC(O)=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O21/c34-7-18-21(41)24(44)27(47)31(50-18)53-30-26(46)23(43)20(9-36)52-33(30)54-29-25(45)22(42)19(8-35)51-32(29)49-17-6-12-14(39)4-11(37)5-16(12)48-28(17)10-1-2-13(38)15(40)3-10/h1-6,18-27,29-36,41-47H,7-9H2,(H3-,37,38,39,40)/p+1",GXPKGBAKQQAADF,UHFFFAOYSA,O,Cyanidin 3-sophorotrioside,GXPKGBAKQQAADF-UHFFFAOYSA-O
HMDB37996,611.161209944,C27H31O16,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C=C3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C27H30O16/c28-7-17-19(34)21(36)22(37)26(41-17)43-25-20(35)18(8-29)42-27(23(25)38)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22-,23-,25+,26+,27-/m1/s1",YXBNLEZVGITYGW,SQLAXTICSA,O,Cyanidin 3-laminaribioside,YXBNLEZVGITYGW-SQLAXTICSA-O
HMDB37997,465.103301136,C21H21O12,OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1",XENHPQQLDPAYIJ,PEVLUNPASA,O,Delphinidin 3-glucoside,XENHPQQLDPAYIJ-PEVLUNPASA-O
HMDB37998,435.09273645,C20H19O11,OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O,"InChI=1S/C20H18O11/c21-6-15-17(27)18(28)20(31-15)30-14-5-9-10(23)3-8(22)4-13(9)29-19(14)7-1-11(24)16(26)12(25)2-7/h1-5,15,17-18,20-21,27-28H,6H2,(H4-,22,23,24,25,26)/p+1/t15-,17+,18-,20+/m0/s1",WIEYMFHXYNRELM,ZNWBIBPKSA,O,Delphinidin 3-arabinoside,WIEYMFHXYNRELM-ZNWBIBPKSA-O
HMDB37999,799.156912426,C33H35O23,OC1C(COC(=O)CC(O)=O)OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C33H34O23/c34-11-3-15-12(16(4-11)53-32-29(48)27(46)25(44)18(55-32)8-50-22(41)6-20(37)38)5-17(31(52-15)10-1-13(35)24(43)14(36)2-10)54-33-30(49)28(47)26(45)19(56-33)9-51-23(42)7-21(39)40/h1-5,18-19,25-30,32-33,44-49H,6-9H2,(H5-,34,35,36,37,38,39,40,43)/p+1",YUUVWWMPUDXXPV,UHFFFAOYSA,O,"Delphinidin 3,5-di(6-O-malonylglucoside)",YUUVWWMPUDXXPV-UHFFFAOYSA-O
HMDB38000,773.192904002,C36H37O19,OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1",HXWHJZIJSNBCJX,UHFFFAOYSA,O,Awobanin,HXWHJZIJSNBCJX-UHFFFAOYSA-O
HMDB38001,611.161209944,C27H31O16,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1",PLKUTZNSKRWCCA,LTSKFBHWSA,O,Delphinidin 3-rutinoside,PLKUTZNSKRWCCA-LTSKFBHWSA-O
HMDB38002,611.161209944,C27H31O16,CC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(39-8)42-16-6-11-14(40-25(16)9-2-12(30)19(33)13(31)3-9)4-10(29)5-15(11)41-27-24(38)22(36)20(34)17(7-28)43-27/h2-6,8,17-18,20-24,26-28,32,34-38H,7H2,1H3,(H3-,29,30,31,33)/p+1",IEMQNRLOUXMJQV,UHFFFAOYSA,O,Delphinidin 3-rhamnoside 5-glucoside,IEMQNRLOUXMJQV-UHFFFAOYSA-O
HMDB38003,597.14555988,C26H29O16,OCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O,"InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1",TWYYVOVDSNRIJM,UHFFFAOYSA,O,Delphinidin 3-sambubioside,TWYYVOVDSNRIJM-UHFFFAOYSA-O
HMDB38004,507.113865822,C23H23O13,CC(=O)OC[C@H]1O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1/t17-,19-,20+,21-,23-/m1/s1",QPXIWIXIRHZIMM,OXUVVOBNSA,O,Delphinidin 3-(acetylglucoside),QPXIWIXIRHZIMM-OXUVVOBNSA-O
HMDB38005,182.13067982,C11H18O2,CCCCCCC1OC(C)=CC1=O,"InChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3",AAUWBAWSKVOBFL,UHFFFAOYSA,N,xi-2-Hexyl-5-methyl-3(2H)-furanone,AAUWBAWSKVOBFL-UHFFFAOYSA-N
HMDB38006,627.156124566,C27H31O17,OCC1OC(OCC2OC(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1",WIIMVXRNTVGXEQ,UHFFFAOYSA,O,Delphinidin 3-gentiobioside,WIIMVXRNTVGXEQ-UHFFFAOYSA-O
HMDB38007,627.156124566,C27H31O17,OCC1OC(OC2C(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/p+1",UYLDMCQVSGIZMI,UHFFFAOYSA,O,Delphinidin 3-sophoroside,UYLDMCQVSGIZMI-UHFFFAOYSA-O
HMDB38008,535.14516595,C25H27O13,COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(COC(C)=O)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C25H26O13/c1-10(26)35-9-19-21(30)22(31)23(32)25(38-19)37-18-8-13-14(28)6-12(27)7-15(13)36-24(18)11-4-16(33-2)20(29)17(5-11)34-3/h4-8,19,21-23,25,30-32H,9H2,1-3H3,(H2-,27,28,29)/p+1",WGYWEDJQQFKGID,UHFFFAOYSA,O,Malvidin 3-(6-acetylglucoside),WGYWEDJQQFKGID-UHFFFAOYSA-O
HMDB38009,655.187424694,C29H35O17,COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1,"InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1",CILLXFBAACIQNS,UHFFFAOYSA,O,Malvin,CILLXFBAACIQNS-UHFFFAOYSA-O
HMDB38010,493.134601264,C23H25O12,COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1",PXUQTDZNOHRWLI,UHFFFAOYSA,O,Malvidin 3-galactoside,PXUQTDZNOHRWLI-UHFFFAOYSA-O
HMDB38011,801.22420413,C38H41O19,COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1,"InChI=1S/C38H40O19/c1-50-23-9-17(10-24(51-2)29(23)43)36-25(13-20-21(53-36)11-19(41)12-22(20)54-37-34(48)32(46)30(44)26(14-39)56-37)55-38-35(49)33(47)31(45)27(57-38)15-52-28(42)8-5-16-3-6-18(40)7-4-16/h3-13,26-27,30-35,37-39,44-49H,14-15H2,1-2H3,(H2-,40,41,42,43)/p+1",KGEHZUCHEKVXEU,UHFFFAOYSA,O,Malvidin 3-(6-coumaroylglucoside) 5-glucoside,KGEHZUCHEKVXEU-UHFFFAOYSA-O
HMDB38012,639.1713807,C32H31O14,COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C(O)=CC(O)=C2,"InChI=1S/C32H30O14/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37)/p+1",HXQOVGDXCHFLOP,UHFFFAOYSA,O,Malvidin 3-(6-coumaroylglucoside),HXQOVGDXCHFLOP-UHFFFAOYSA-O
HMDB38013,314.151809192,C19H22O4,CC12CC=CC3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,7,11-14H,1,4-6,8-9H2,2H3,(H,20,21)",WKDIZCSRKTURDM,UHFFFAOYSA,N,Gibberellin A120,WKDIZCSRKTURDM-UHFFFAOYSA-N
HMDB38014,332.162373878,C19H24O5,CC12CCCC3(OC1=O)C1CC(O)C4CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)",IPHNMKITOREFLW,UHFFFAOYSA,N,Gibberellin A70,IPHNMKITOREFLW-UHFFFAOYSA-N
HMDB38015,330.146723814,C19H22O5,CC12CC=CC3(OC1=O)C1CC(O)C4CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H22O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h3,5,10-14,20H,1,4,6-8H2,2H3,(H,21,22)",RAXXBLUAHMNNDW,UHFFFAOYSA,N,Gibberellin A121,RAXXBLUAHMNNDW-UHFFFAOYSA-N
HMDB38016,652.455033646,C37H64O9,COC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C37H64O9/c1-20(2)11-10-14-37(8,44-9)21-12-16-35(6)27(21)22(39)17-25-34(5)15-13-26(40)33(3,4)31(34)23(18-36(25,35)7)45-32-30(43)29(42)28(41)24(19-38)46-32/h11,21-32,38-43H,10,12-19H2,1-9H3",WTSNEXSNFSFTFK,UHFFFAOYSA,N,Ginsenoside Rh5,WTSNEXSNFSFTFK-UHFFFAOYSA-N
HMDB38017,216.07864425,C13H12O3,CCOC(=O)C1=C(OC=C1)C1=CC=CC=C1,"InChI=1S/C13H12O3/c1-2-15-13(14)11-8-9-16-12(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3",VMAQXZDICAYJMS,UHFFFAOYSA,N,Ethyl 2-phenyl-3-furancarboxylate,VMAQXZDICAYJMS-UHFFFAOYSA-N
HMDB38018,386.266838948,C21H38O6,CC1OC(OC(C)(C)C2CCC3(C)CCCC(C)(O)C3C2)C(O)C(O)C1O,"InChI=1S/C21H38O6/c1-12-15(22)16(23)17(24)18(26-12)27-19(2,3)13-7-10-20(4)8-6-9-21(5,25)14(20)11-13/h12-18,22-25H,6-11H2,1-5H3",HUSBLOAZNQURFJ,UHFFFAOYSA,N,Cryptomeridiol 11-rhamnoside,HUSBLOAZNQURFJ-UHFFFAOYSA-N
HMDB38019,748.439777512,C41H64O12,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1=C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,20,23-35,42-48H,2,9-19H2,1,3-7H3",TXWFEKCXGJREKU,UHFFFAOYSA,N,28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside,TXWFEKCXGJREKU-UHFFFAOYSA-N
HMDB38020,682.356441814,C35H54O13,CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C35H54O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12,16,18-23,25-32,36,38-43H,4-11,13-15H2,1-3H3",OQZGLOBKVNEEPK,UHFFFAOYSA,N,Evobioside,OQZGLOBKVNEEPK-UHFFFAOYSA-N
HMDB38021,648.402604146,C40H56O7,COC1=CC(\C=C\C(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)CCC5(CCC43C)C(O)=O)C2(C)C)=CC=C1O,"InChI=1S/C40H56O7/c1-23-15-18-40(35(44)45)20-19-38(6)26(33(40)24(23)2)11-13-31-37(5)22-28(42)34(36(3,4)30(37)16-17-39(31,38)7)47-32(43)14-10-25-9-12-27(41)29(21-25)46-8/h9-12,14,21,23-24,28,30-31,33-34,41-42H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+",LOYUSEWSBJOCNL,GXDHUFHOSA,N,3alpha-O-trans-Feruloyl-2alpha-hydroxy-12-ursen-28-oic acid,LOYUSEWSBJOCNL-GXDHUFHOSA-N
HMDB38022,1354.640506546,C63H102O31,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C63H102O31/c1-22-9-14-63(82-20-22)23(2)36-31(94-63)16-30-28-8-7-26-15-27(10-12-61(26,5)29(28)11-13-62(30,36)6)85-60-54(93-56-46(76)40(70)37(67)24(3)83-56)50(80)52(34(19-66)88-60)91-57-48(78)43(73)51(25(4)84-57)90-59-49(79)44(74)53(92-58-47(77)42(72)39(69)33(18-65)87-58)35(89-59)21-81-55-45(75)41(71)38(68)32(17-64)86-55/h7,22-25,27-60,64-80H,8-21H2,1-6H3",MVJHGXUJWDGPHK,UHFFFAOYSA,N,Diosgenin 3-[glucosyl-(1->4)-[glucopyranosyl-(1->6)]-glucopyranosyl-(1->4)-rhamnosyl-(1->4)-[rhamnosyl-(1->2)]-glucoside],MVJHGXUJWDGPHK-UHFFFAOYSA-N
HMDB38023,1192.587683116,C57H92O26,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C57H92O26/c1-21-9-14-57(73-19-21)22(2)34-30(83-57)16-29-27-8-7-25-15-26(10-12-55(25,5)28(27)11-13-56(29,34)6)76-54-49(82-51-43(68)38(63)35(60)23(3)74-51)46(71)48(32(18-59)78-54)81-52-45(70)41(66)47(24(4)75-52)80-53-44(69)40(65)37(62)33(79-53)20-72-50-42(67)39(64)36(61)31(17-58)77-50/h7,21-24,26-54,58-71H,8-20H2,1-6H3",RARXBXNBVUQZTI,UHFFFAOYSA,N,Diosgenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-rhamnosyl-(1->4)[rhamnosyl-(1->2)]-glucoside],RARXBXNBVUQZTI-UHFFFAOYSA-N
HMDB38024,262.193280076,C17H26O2,CC(=O)OC\C(C)=C/CCC1(C)C2CCC(C2)C1=C,"InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6-",RCFGRZLLBGMERD,SDQBBNPISA,N,beta-Santalyl acetate,RCFGRZLLBGMERD-SDQBBNPISA-N
HMDB38025,154.135765198,C10H18O,CC(C)C1=CCC(C)(O)CC1,"InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,8,11H,5-7H2,1-3H3",XJWZDXFFNOMMTD,UHFFFAOYSA,N,xi-p-Menth-3-en-1-ol,XJWZDXFFNOMMTD-UHFFFAOYSA-N
HMDB38026,194.167065326,C13H22O,CC(=O)CC[C@H]1C(C)=CCCC1(C)C,"InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3/t12-/m0/s1",JHJCHCSUEGPIGE,LBPRGKRZSA,N,Dihydro-alpha-ionone,JHJCHCSUEGPIGE-LBPRGKRZSA-N
HMDB38027,236.177630012,C15H24O2,CC(OC(C)=O)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3/b9-8+",WODKSVNXBYBTQC,CMDGGOBGSA,N,beta-Ionyl acetate,WODKSVNXBYBTQC-CMDGGOBGSA-N
HMDB38028,502.241412058,C24H38O11,CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C,"InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+",FFYPJOJFUJFYAT,AATRIKPKSA,N,Eriojaposide A,FFYPJOJFUJFYAT-AATRIKPKSA-N
HMDB38029,516.257062122,C25H40O11,CC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C,"InChI=1S/C25H40O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h6-8,12-13,15-24,27-32H,9-10H2,1-5H3/b7-6+",AFWVBXLXFDAISA,VOTSOKGWSA,N,Eriojaposide B,AFWVBXLXFDAISA-VOTSOKGWSA-N
HMDB38030,536.08021997,C23H20O15,COC1=C(O)C=C(C=C1O)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O)C3=C(OCO3)C=C2O1,"InChI=1S/C23H20O15/c1-33-18-7(24)2-6(3-8(18)25)17-20(37-23-16(30)14(28)15(29)21(38-23)22(31)32)13(27)11-9(36-17)4-10-19(12(11)26)35-5-34-10/h2-4,14-16,21,23-26,28-30H,5H2,1H3,(H,31,32)",VJOUKMWDFSQKRA,UHFFFAOYSA,N,"3,3',5,5'-Tetrahydroxy-6,7-methyleneoxy-4'-methoxyflavone 3-glucuronide",VJOUKMWDFSQKRA-UHFFFAOYSA-N
HMDB38031,346.214409448,C21H30O4,[H][C@@]12CCC3=C(C(OC)=C(O)C(CCC)=C3)[C@]1(CCCC2(C)C)C(O)=O,"InChI=1S/C21H30O4/c1-5-7-14-12-13-8-9-15-20(2,3)10-6-11-21(15,19(23)24)16(13)18(25-4)17(14)22/h12,15,22H,5-11H2,1-4H3,(H,23,24)/t15-,21+/m0/s1",OMPKOMATCRRMCU,YCRPNKLZSA,N,"12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid",OMPKOMATCRRMCU-YCRPNKLZSA-N
HMDB38032,817.240248124,C35H45O22,COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1,"InChI=1S/C35H44O22/c1-49-16-3-11(4-17(50-2)22(16)40)31-18(7-13-14(51-31)5-12(39)6-15(13)52-33-29(47)26(44)23(41)19(8-36)54-33)53-35-32(28(46)25(43)21(10-38)56-35)57-34-30(48)27(45)24(42)20(9-37)55-34/h3-7,19-21,23-30,32-38,41-48H,8-10H2,1-2H3,(H-,39,40)/p+1",MUOOTWYWWLJAQU,UHFFFAOYSA,O,Malvidin 3-sophoroside 5-glucoside,MUOOTWYWWLJAQU-UHFFFAOYSA-O
HMDB38033,655.187424694,C29H35O17,COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)34)26-17(7-12-13(33)5-11(32)6-14(12)42-26)43-29-25(39)27(22(36)19(9-31)45-29)46-28-24(38)23(37)21(35)18(8-30)44-28/h3-7,18-19,21-25,27-31,35-39H,8-9H2,1-2H3,(H2-,32,33,34)/p+1",JEUXKMNBLUZESY,UHFFFAOYSA,O,Malvidin 3-laminaribioside,JEUXKMNBLUZESY-UHFFFAOYSA-O
HMDB38034,228.20893014,C14H28O2,CCCCCCCCCOC(=O)CC(C)C,"InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3",JHKZVDVMXZGMOX,UHFFFAOYSA,N,Nonyl isovalerate,JHKZVDVMXZGMOX-UHFFFAOYSA-N
HMDB38035,292.203844762,C18H28O3,CCCCCCCC(OC)C(O)CC#CC#CC(O)C=C,"InChI=1S/C18H28O3/c1-4-6-7-8-12-15-18(21-3)17(20)14-11-9-10-13-16(19)5-2/h5,16-20H,2,4,6-8,12,14-15H2,1,3H3",QSLYECSTHSYXDL,UHFFFAOYSA,N,Panaquinquecol 1,QSLYECSTHSYXDL-UHFFFAOYSA-N
HMDB38036,142.099379692,C8H14O2,CC(C)CC(=O)OCC=C,"InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3",HOMAGVUCNZNWBC,UHFFFAOYSA,N,2-Propenyl 3-methylbutanoate,HOMAGVUCNZNWBC-UHFFFAOYSA-N
HMDB38037,578.454639716,C35H62O6,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(=O)CCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,31-34,37-38H,3-26H2,1-2H3",RVFWPTBBKKTQCR,UHFFFAOYSA,N,Corossolone,RVFWPTBBKKTQCR-UHFFFAOYSA-N
HMDB38038,172.146329884,C10H20O2,CCC(C)COC(=O)CC(C)C,"InChI=1S/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3",CYGPPWVXOWCHJB,UHFFFAOYSA,N,2-Methylbutyl 3-methylbutanoate,CYGPPWVXOWCHJB-UHFFFAOYSA-N
HMDB38040,158.13067982,C9H18O2,CC(C)COC(=O)CC(C)C,"InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3",KEBDNKNVCHQIJU,UHFFFAOYSA,N,2-Methylpropyl 3-methylbutanoate,KEBDNKNVCHQIJU-UHFFFAOYSA-N
HMDB38041,740.195249726,C36H36O17,OCC1OC(C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1O,"InChI=1S/C36H36O17/c37-13-23-28(43)32(47)35(53-36-33(48)31(46)29(44)24(52-36)14-49-25(42)10-3-15-1-6-17(38)7-2-15)34(51-23)27-20(41)12-22-26(30(27)45)19(40)11-21(50-22)16-4-8-18(39)9-5-16/h1-12,23-24,28-29,31-39,41,43-48H,13-14H2/b10-3+",RECLDAGWBWVMCW,XCVCLJGOSA,N,Isovitexin 2''-(6'''-p-coumaroylglucoside),RECLDAGWBWVMCW-XCVCLJGOSA-N
HMDB38042,770.205814412,C37H38O18,COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C4=C(OC(=CC4=O)C4=CC=C(O)C=C4)C=C3O)C(O)C(O)C2O)=C1,"InChI=1S/C37H38O18/c1-50-22-10-15(2-8-18(22)40)3-9-26(43)51-14-25-30(45)32(47)34(49)37(54-25)55-36-33(48)29(44)24(13-38)53-35(36)28-20(42)12-23-27(31(28)46)19(41)11-21(52-23)16-4-6-17(39)7-5-16/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-3+",VJSPPRJRRDZQLT,YCRREMRBSA,N,Isovitexin 2''-O-(6'''-feruloyl)glucoside,VJSPPRJRRDZQLT-YCRREMRBSA-N
HMDB38043,902.248073156,C42H46O22,OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O2)C=C(O)C(C2OC(CO)C(O)C(O)C2OC2OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C(O)C2O)=C3O)C(O)C(O)C1O,"InChI=1S/C42H46O22/c43-13-24-31(50)36(55)40(64-42-38(57)35(54)32(51)26(63-42)15-58-27(48)10-3-16-1-6-18(45)7-2-16)39(61-24)29-21(47)12-23-28(33(29)52)20(46)11-22(60-23)17-4-8-19(9-5-17)59-41-37(56)34(53)30(49)25(14-44)62-41/h1-12,24-26,30-32,34-45,47,49-57H,13-15H2/b10-3+",QYVCMCHTBHFWCZ,XCVCLJGOSA,N,Isovitexin 2''-O-[4-hydroxy-(E)-cinnamoyl-(->6)-beta-D-glucopyranosyl] 4'-O-beta-D-glucopyranoside,QYVCMCHTBHFWCZ-XCVCLJGOSA-N
HMDB38044,932.258637842,C43H48O23,COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C4=C(OC(=CC4=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)C=C3O)C(O)C(O)C2O)=C1,"InChI=1S/C43H48O23/c1-59-23-10-16(2-8-19(23)46)3-9-28(49)60-15-27-33(52)36(55)39(58)43(65-27)66-41-37(56)32(51)25(13-44)63-40(41)30-21(48)12-24-29(34(30)53)20(47)11-22(62-24)17-4-6-18(7-5-17)61-42-38(57)35(54)31(50)26(14-45)64-42/h2-12,25-27,31-33,35-46,48,50-58H,13-15H2,1H3/b9-3+",NKQNBGQKLCZRCJ,YCRREMRBSA,N,Isovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside,NKQNBGQKLCZRCJ-YCRREMRBSA-N
HMDB38045,990.191346138,C43H42O27,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC(O)=C5C(=O)C=C(OC5=C4)C4=CC(O)=C(OC5OC(C(O)C(O)C5O)C(O)=O)C=C4)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=C1,"InChI=1S/C43H42O27/c1-62-22-8-13(2-5-16(22)44)3-7-24(48)66-36-30(53)28(51)35(40(60)61)69-43(36)70-37-31(54)29(52)34(39(58)59)68-42(37)63-15-10-18(46)25-19(47)12-21(64-23(25)11-15)14-4-6-20(17(45)9-14)65-41-32(55)26(49)27(50)33(67-41)38(56)57/h2-12,26-37,41-46,49-55H,1H3,(H,56,57)(H,58,59)(H,60,61)/b7-3+",SPAFPIYZLSWKDV,XVNBXDOJSA,N,Luteolin 7-[E-feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 4'-glucuronide,SPAFPIYZLSWKDV-XVNBXDOJSA-N
HMDB38046,194.13067982,C12H18O2,CC(=O)OC1CC(CC=C1C)C(C)=C,"InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3",YTHRBOFHFYZBRJ,UHFFFAOYSA,N,Carvyl acetate,YTHRBOFHFYZBRJ-UHFFFAOYSA-N
HMDB38047,208.146329884,C13H20O2,CCC(=O)OC1CC(CC=C1C)C(C)=C,"InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3",DFVXNZOMAOGTBL,UHFFFAOYSA,N,Carvyl propionate,DFVXNZOMAOGTBL-UHFFFAOYSA-N
HMDB38048,726.23711454,C33H42O18,CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC=C(O)C=C3)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H42O18/c1-11-22(37)25(40)28(43)31(46-11)45-10-20-24(39)27(42)30(51-32-29(44)26(41)23(38)12(2)47-32)33(50-20)48-15-7-16(35)21-17(36)9-18(49-19(21)8-15)13-3-5-14(34)6-4-13/h3-8,11-12,18,20,22-35,37-44H,9-10H2,1-2H3",BRDVWIOUHLWIGN,UHFFFAOYSA,N,Naringin 6''-rhamnoside,BRDVWIOUHLWIGN-UHFFFAOYSA-N
HMDB38049,462.116211546,C22H22O11,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C22H22O11/c1-30-13-3-2-9(11-8-31-15-6-10(24)5-12(25)17(15)18(11)26)4-14(13)32-22-21(29)20(28)19(27)16(7-23)33-22/h2-6,8,16,19-25,27-29H,7H2,1H3",UCMPMVZIJFSAEQ,UHFFFAOYSA,N,Pratensein 3'-glucoside,UCMPMVZIJFSAEQ-UHFFFAOYSA-N
HMDB38050,284.177630012,C19H24O2,CC1=CCC(CC1)C(C)(C)OC(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C19H24O2/c1-15-9-12-17(13-10-15)19(2,3)21-18(20)14-11-16-7-5-4-6-8-16/h4-9,11,14,17H,10,12-13H2,1-3H3/b14-11+",CKYQZYGVFMSSKH,SDNWHVSQSA,N,alpha-Terpinyl cinnamate,CKYQZYGVFMSSKH-SDNWHVSQSA-N
HMDB38051,273.172878985,C17H23NO2,CC1=CCC(CC1)C(C)(C)OC(=O)C1=CC=CC=C1N,"InChI=1S/C17H23NO2/c1-12-8-10-13(11-9-12)17(2,3)20-16(19)14-6-4-5-7-15(14)18/h4-8,13H,9-11,18H2,1-3H3",UHUIKPAIJHOKNF,UHFFFAOYSA,N,alpha-Terpinyl anthranilate,UHUIKPAIJHOKNF-UHFFFAOYSA-N
HMDB38052,114.10446507,C7H14O,CCOCC=C(C)C,"InChI=1S/C7H14O/c1-4-8-6-5-7(2)3/h5H,4,6H2,1-3H3",HPMSQLYFMOOLKS,UHFFFAOYSA,N,1-Ethoxy-3-methyl-2-butene,HPMSQLYFMOOLKS-UHFFFAOYSA-N
HMDB38053,599.685755925,Ca3H6O18P6,[Ca++].[Ca++].[Ca++].O[P](=O)(=O)[P](O)(=O)(=O)[P](O)(=O)(=O)[P](O)(=O)(=O)[P](O)(=O)(=O)[P](O)(=O)=O,"InChI=1S/3Ca.H6O18P6/c;;;1-19(2,3)21(7,8,9)23(13,14,15)24(16,17,18)22(10,11,12)20(4,5)6/h;;;(H,1,2,3)(H,4,5,6)(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)/q3*+2;",NKVQBWYELZPBBL,UHFFFAOYSA,N,Calcium trimetaphosphate,NKVQBWYELZPBBL-UHFFFAOYSA-N
HMDB38054,181.037507717,C8H7NO4,OC1OC2=C(NC1=O)C=CC(O)=C2,"InChI=1S/C8H7NO4/c10-4-1-2-5-6(3-4)13-8(12)7(11)9-5/h1-3,8,10,12H,(H,9,11)",HDRDOKTYPONKPM,UHFFFAOYSA,N,"(R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one",HDRDOKTYPONKPM-UHFFFAOYSA-N
HMDB38055,195.053157781,C9H9NO4,COC1=CC2=C(NC(=O)C(O)O2)C=C1,"InChI=1S/C9H9NO4/c1-13-5-2-3-6-7(4-5)14-9(12)8(11)10-6/h2-4,9,12H,1H3,(H,10,11)",NDEPTLCFICMYLH,UHFFFAOYSA,N,"2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one",NDEPTLCFICMYLH-UHFFFAOYSA-N
HMDB38056,226.193280076,C14H26O2,CCCCCCCCCC1CCCC(=O)O1,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3",SKQYTJLYRIFFCO,UHFFFAOYSA,N,delta-Tetradecalactone,SKQYTJLYRIFFCO-UHFFFAOYSA-N
HMDB38057,315.277344055,C18H37NO3,CCCCCCCCC\C=C\CCCC(O)C(O)C(N)CO,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+",CQKNELOTFUSOTP,ZHACJKMWSA,N,Dehydrophytosphingosine,CQKNELOTFUSOTP-ZHACJKMWSA-N
HMDB38058,610.517239972,C37H70O6,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCC,"InChI=1S/C37H70O6/c1-4-7-10-13-15-17-18-20-22-25-28-31-37(40)43-34(32-41-35(38)29-26-23-12-9-6-3)33-42-36(39)30-27-24-21-19-16-14-11-8-5-2/h34H,4-33H2,1-3H3",XJEQUBKBCWQXOB,UHFFFAOYSA,N,Glycerol 1-dodecanoate 2-tetradecanoate 3-octanoate,XJEQUBKBCWQXOB-UHFFFAOYSA-N
HMDB38059,692.595490292,C43H80O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC,"InChI=1S/C43H80O6/c1-4-7-10-13-15-17-19-20-21-22-24-26-28-31-33-36-42(45)48-39-40(49-43(46)37-34-29-12-9-6-3)38-47-41(44)35-32-30-27-25-23-18-16-14-11-8-5-2/h20-21,40H,4-19,22-39H2,1-3H3/b21-20+",POKDRGLHIVFRJS,QZQOTICOSA,N,Glycerol 1-(9Z-octadecenoate) 2-octanoate 3-tetradecanoate,POKDRGLHIVFRJS-QZQOTICOSA-N
HMDB38060,866.642440484,C57H86O6,CC\C=C\C=C\C=C\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C=C/C=C/C=C/CC)OC(=O)CCCCCCC\C=C/C=C/C=C/C=C/CC,"InChI=1S/C57H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-30,54H,4-6,31-53H2,1-3H3/b10-7+,11-8+,12-9+,16-13+,17-14+,18-15+,22-19+,23-20+,24-21+,28-25-,29-26+,30-27-",BSOKWTTWQNVYKF,KQWCLDJMSA,N,Triparinarin,BSOKWTTWQNVYKF-KQWCLDJMSA-N
HMDB38061,932.768034926,C57H104O9,CCCCCCC(O)C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CC(O)CCCCCC)OC(=O)CCCCCCC\C=C\CC(O)CCCCCC,"InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27+",ZEMPKEQAKRGZGQ,YAFIDQONSA,N,Triricinolein,ZEMPKEQAKRGZGQ-YAFIDQONSA-N
HMDB38062,468.396730908,C32H52O2,[H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1CC3,"InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)22-12-15-32(9)25-20-27(2,3)16-17-29(25,6)18-19-31(32,8)23(22)10-11-24(30)28(26,4)5/h24-26H,10-20H2,1-9H3/t24?,25-,26+,29-,30-,31-,32+/m1/s1",IQPSCJJRYFMIOC,VVFZLFBHSA,N,Isomultiflorenyl acetate,IQPSCJJRYFMIOC-VVFZLFBHSA-N
HMDB38063,426.349780716,C29H46O2,CC[C@H](CC[C@@H](C)C1CCC2C3CC(=O)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C,"InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22?,23?,24?,25?,28-,29-/m1/s1",UVFOCYGYACXLAY,UQYXHCMHSA,N,"Stigmast-4-ene-3,6-dione",UVFOCYGYACXLAY-UQYXHCMHSA-N
HMDB38064,750.507069216,C46H70O8,OC1=C(O)C=C(\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1,"InChI=1S/C46H70O8/c47-41-31-27-39(37-43(41)49)29-33-45(51)53-35-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-36-54-46(52)34-30-40-28-32-42(48)44(50)38-40/h27-34,37-38,47-50H,1-26,35-36H2/b33-29+,34-30+",IXOGPOOZKLHKNF,BNRZXNFUSA,N,"1,28-Dicaffeoyloctacosanediol",IXOGPOOZKLHKNF-BNRZXNFUSA-N
HMDB38065,778.538369344,C48H74O8,COC1=C(O)C=C(\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C2=CC(O)=C(OC)C=C2)C=C1,"InChI=1S/C48H74O8/c1-53-45-33-29-41(39-43(45)49)31-35-47(51)55-37-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-38-56-48(52)36-32-42-30-34-46(54-2)44(50)40-42/h29-36,39-40,49-50H,3-28,37-38H2,1-2H3/b35-31+,36-32+",BNCYSRWQCKLMQU,QUTRQNJUSA,N,"1,28-Octacosanediol diferulate",BNCYSRWQCKLMQU-QUTRQNJUSA-N
HMDB38066,392.110732238,C19H20O9,OCC1OC(OC2=CC(O)=CC(O)=C2C(=O)C2=CC=CC=C2)C(O)C(O)C1O,"InChI=1S/C19H20O9/c20-8-13-16(24)17(25)18(26)19(28-13)27-12-7-10(21)6-11(22)14(12)15(23)9-4-2-1-3-5-9/h1-7,13,16-22,24-26H,8H2",CCXXIROIENJKKR,UHFFFAOYSA,N,Garcimangosone D,CCXXIROIENJKKR-UHFFFAOYSA-N
HMDB38067,140.120115134,C9H16O,CC\C=C/C\C=C\CCO,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6+",PICGPEBVZGCYBV,WWVFNRLHSA,N,"(3E,6Z)-3,6-Nonadien-1-ol",PICGPEBVZGCYBV-WWVFNRLHSA-N
HMDB38068,182.13067982,C11H18O2,CC\C=C/C\C=C\CCOC(C)=O,"InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,7-8H,3,6,9-10H2,1-2H3/b5-4-,8-7+",CMNKZQXSZSHGNF,KXKKYDSASA,N,"(3E,6Z)-Nonadien-1-yl acetate",CMNKZQXSZSHGNF-KXKKYDSASA-N
HMDB38069,504.090390726,C23H20O13,COC1=C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1,"InChI=1S/C23H20O13/c1-31-20-14(25)12-10(6-11-19(13(12)24)33-7-32-11)35-18(20)8-2-4-9(5-3-8)34-23-17(28)15(26)16(27)21(36-23)22(29)30/h2-6,15-17,21,23-24,26-28H,7H2,1H3,(H,29,30)",QZRLCSNTKHSVAP,UHFFFAOYSA,N,Gomphrenol 3-methylether 4'-glucuronide,QZRLCSNTKHSVAP-UHFFFAOYSA-N
HMDB38070,298.28718046,C19H38O2,CCC(C)CCCCCCCCCCCCCCC(O)=O,"InChI=1S/C19H38O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",PCGKIWPTIJPQHI,UHFFFAOYSA,N,xi-16-Methyloctadecanoic acid,PCGKIWPTIJPQHI-UHFFFAOYSA-N
HMDB38072,128.047344122,C6H8O3,CC(=O)C1CCC(=O)O1,"InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3",AHLDCEZSQNGEFT,UHFFFAOYSA,N,xi-5-Acetyltetrahydro-2(3H)-furanone,AHLDCEZSQNGEFT-UHFFFAOYSA-N
HMDB38073,368.292659768,C22H40O4,CCCCCCCCCCCCCCCCCCOC(=O)\C=C/C(O)=O,"InChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h18-19H,2-17,20H2,1H3,(H,23,24)/b19-18-",MHQJUHSHQGQVTM,HNENSFHCSA,N,Octadecyl fumarate,MHQJUHSHQGQVTM-HNENSFHCSA-N
HMDB38078,212.177630012,C13H24O2,CCOC(OCC)\C=C/CC\C=C/CC,"InChI=1S/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h7-8,11-13H,4-6,9-10H2,1-3H3/b8-7-,12-11-",GCIRJCKOUVCUBZ,MQEUWQHPSA,N,"1,1-Diethoxy-2,6-nonadiene",GCIRJCKOUVCUBZ-MQEUWQHPSA-N
HMDB38079,182.13067982,C11H18O2,CC\C=C/CC\C=C/COC(C)=O,"InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,8-9H,3,6-7,10H2,1-2H3/b5-4-,9-8-",UHONGPVFPQQOSO,WPAMCMATSA,N,"(2E,6Z)-2,6-Nonadien-1-Yl acetate",UHONGPVFPQQOSO-WPAMCMATSA-N
HMDB38080,348.1572885,C19H24O6,CC12CC(O)CC3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",BKBYHSYZKIAJDA,UHFFFAOYSA,N,Gibberellin A81,BKBYHSYZKIAJDA-UHFFFAOYSA-N
HMDB38081,198.161979948,C12H22O2,CCCCC\C=C/COC(=O)CCC,"InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8-",GPINUUWEKPNDBB,HJWRWDBZSA,N,2-Octenyl butyrate,GPINUUWEKPNDBB-HJWRWDBZSA-N
HMDB38083,234.073952802,C9H14O7,CC(C)OC(=O)C(O)(CC(O)=O)CC(O)=O,"InChI=1S/C9H14O7/c1-5(2)16-8(14)9(15,3-6(10)11)4-7(12)13/h5,15H,3-4H2,1-2H3,(H,10,11)(H,12,13)",VRBUFFFVTDWWMY,UHFFFAOYSA,N,2-Isopropyl citrate,VRBUFFFVTDWWMY-UHFFFAOYSA-N
HMDB38084,162.071450382,C7H14O2S,CCOC(=O)CC(C)SC,"InChI=1S/C7H14O2S/c1-4-9-7(8)5-6(2)10-3/h6H,4-5H2,1-3H3",OBOGJNGOEGQVPL,UHFFFAOYSA,N,Ethyl 3-(methylthio)butanoate,OBOGJNGOEGQVPL-UHFFFAOYSA-N
HMDB38085,417.11855727,C21H21O9,CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O9/c1-9-17(25)18(26)19(27)21(28-9)30-16-8-13-14(24)6-12(23)7-15(13)29-20(16)10-2-4-11(22)5-3-10/h2-9,17-19,21,25-27H,1H3,(H2-,22,23,24)/p+1",RFOBAKWGJRIIMU,UHFFFAOYSA,O,Pelargonidin 3-rhamnoside,RFOBAKWGJRIIMU-UHFFFAOYSA-O
HMDB38086,579.1713807,C27H31O14,CC1OC(OC2=CC3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O)[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(37-10)40-17-8-14-15(38-25(17)11-2-4-12(29)5-3-11)6-13(30)7-16(14)39-27-24(36)22(34)20(32)18(9-28)41-27/h2-8,10,18-24,26-28,31-36H,9H2,1H3,(H-,29,30)/p+1",MIRNSFCHJINZJP,UHFFFAOYSA,O,Pelargonidin 3-rhamnoside 5-glucoside,MIRNSFCHJINZJP-UHFFFAOYSA-O
HMDB38087,595.14516595,C30H27O13,OCC1OC(OC2=C3C=C(OC(=O)\C=C\C4=CC=C(O)C(O)=C4)C(=[O+]C3=CC(O)=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C30H26O13/c31-13-24-26(37)27(38)28(39)30(43-24)42-22-11-17(33)10-21-18(22)12-23(29(41-21)15-3-5-16(32)6-4-15)40-25(36)8-2-14-1-7-19(34)20(35)9-14/h1-12,24,26-28,30-31,37-39H,13H2,(H3-,32,33,34,35,36)/p+1",KYTVPWHUQGWZRC,UHFFFAOYSA,O,3-Caffeoylpelargonidin 5-glucoside,KYTVPWHUQGWZRC-UHFFFAOYSA-O
HMDB38088,609.160816014,C31H29O13,COC1=CC(\C=C\C(=O)OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)=CC=C1O,"InChI=1S/C31H28O13/c1-40-23-10-15(2-8-20(23)35)3-9-26(36)41-24-13-19-21(42-30(24)16-4-6-17(33)7-5-16)11-18(34)12-22(19)43-31-29(39)28(38)27(37)25(14-32)44-31/h2-13,25,27-29,31-32,37-39H,14H2,1H3,(H2-,33,34,35,36)/p+1",GZUZYVPUPAMAAX,UHFFFAOYSA,O,3-Ferulylpelargonidin 5-glucoside,GZUZYVPUPAMAAX-UHFFFAOYSA-O
HMDB38089,433.113471892,C21H21O10,COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=CC(O)=C2,"InChI=1S/C21H20O10/c1-28-15-4-9(2-3-12(15)24)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-13(25)5-10(23)6-14(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18-,19+,21+/m1/s1",KGHFAKPGOXLHAB,BNDYYXHWSA,O,Peonidin 3-arabinoside,KGHFAKPGOXLHAB-BNDYYXHWSA-O
HMDB38090,609.181945386,C28H33O15,COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1,"InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(39-10)42-18-8-13-15(40-26(18)11-3-4-14(31)17(5-11)38-2)6-12(30)7-16(13)41-28-25(37)23(35)21(33)19(9-29)43-28/h3-8,10,19-25,27-29,32-37H,9H2,1-2H3,(H-,30,31)/p+1",LYMZDGGLEMJUEK,UHFFFAOYSA,O,Peonidin 3-rhamnoside 5-glucoside,LYMZDGGLEMJUEK-UHFFFAOYSA-O
HMDB38091,447.129121956,C22H23O10,COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C22H22O10/c1-9-18(26)19(27)20(28)22(30-9)32-17-8-12-14(25)6-11(23)7-15(12)31-21(17)10-3-4-13(24)16(5-10)29-2/h3-9,18-20,22,26-28H,1-2H3,(H2-,23,24,25)/p+1",CLAWMDIRFKUSBX,UHFFFAOYSA,O,Peonidin 3-rhamnoside,CLAWMDIRFKUSBX-UHFFFAOYSA-O
HMDB38092,769.234374886,C38H41O17,COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]1O)C(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1C)=CC(O)=C2,"InChI=1S/C38H40O17/c1-17-31(44)32(45)28(15-39)54-37(17)52-25-13-21(41)12-24-22(25)14-27(36(51-24)19-6-9-23(42)26(11-19)49-2)53-38-35(48)34(47)33(46)29(55-38)16-50-30(43)10-5-18-3-7-20(40)8-4-18/h3-14,17,28-29,31-35,37-39,44-48H,15-16H2,1-2H3,(H2-,40,41,42,43)/p+1/t17?,28?,29-,31-,32-,33-,34+,35-,37-,38-/m1/s1",UYFNRLODXGXIBD,VEMHFVEPSA,O,Peonidin 3-(6''-p-coumaroyl-glucoside) 5-glucoside,UYFNRLODXGXIBD-VEMHFVEPSA-O
HMDB38093,479.1189512,C22H23O12,COC1=CC(=CC(O)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1",CCQDWIRWKWIUKK,UHFFFAOYSA,O,Petunidin 3-galactoside,CCQDWIRWKWIUKK-UHFFFAOYSA-O
HMDB38094,433.113471892,C21H21O10,COC1=CC(=CC(O)=C1O)C1=C(OC2OCC(O)C(O)C2O)C=C2C=CC(O)=CC2=[O+]1,"InChI=1S/C21H20O10/c1-28-15-6-10(4-12(23)17(15)25)20-16(5-9-2-3-11(22)7-14(9)30-20)31-21-19(27)18(26)13(24)8-29-21/h2-7,13,18-19,21,24,26-27H,8H2,1H3,(H2-,22,23,25)/p+1",MVBYJYWJFIOZIW,UHFFFAOYSA,O,Petunidin 3-arabinoside,MVBYJYWJFIOZIW-UHFFFAOYSA-O
HMDB38095,933.266462874,C43H49O23,COC1=CC(=CC(O)=C1O)C1=C(OC2OC(COC3OC(C)C(OC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C3O)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1,"InChI=1S/C43H48O23/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49)/p+1",BXEZTCOKOLHMKY,UHFFFAOYSA,O,Petanin,BXEZTCOKOLHMKY-UHFFFAOYSA-O
HMDB38096,641.17177463,C28H33O17,COC1=CC(=CC(O)=C1O)C1=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C28H32O17/c1-40-15-3-9(2-13(32)19(15)33)26-16(6-11-12(31)4-10(30)5-14(11)42-26)43-28-25(39)23(37)21(35)18(45-28)8-41-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-29,34-39H,7-8H2,1H3,(H3-,30,31,32,33)/p+1",DBJVUXSMCARDEQ,UHFFFAOYSA,O,Petunidin 3-gentiobioside,DBJVUXSMCARDEQ-UHFFFAOYSA-O
HMDB38097,479.1189512,C22H23O12,COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2,"InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1",CCQDWIRWKWIUKK,QKYBYQKWSA,O,Petunidin 3-glucoside,CCQDWIRWKWIUKK-QKYBYQKWSA-O
HMDB38098,625.176860008,C28H33O16,COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2,"InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(41-9)40-8-18-21(34)23(36)25(38)28(44-18)43-17-7-12-13(30)5-11(29)6-15(12)42-26(17)10-3-14(31)20(33)16(4-10)39-2/h3-7,9,18-19,21-25,27-28,32,34-38H,8H2,1-2H3,(H3-,29,30,31,33)/p+1/t9-,18+,19-,21+,22+,23-,24+,25+,27+,28+/m0/s1",IWTWNQZWPPSSQB,MTUZZJJTSA,O,Petunidin 3-rutinoside,IWTWNQZWPPSSQB-MTUZZJJTSA-O
HMDB38099,625.176860008,C28H33O16,COC1=CC(=CC(O)=C1O)C1=C(OC2OC(C)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1,"InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)43-17-7-12-14(41-26(17)10-3-13(31)20(33)16(4-10)39-2)5-11(30)6-15(12)42-28-25(38)23(36)21(34)18(8-29)44-28/h3-7,9,18-19,21-25,27-29,32,34-38H,8H2,1-2H3,(H2-,30,31,33)/p+1",FMIONHNHIFPJRO,UHFFFAOYSA,O,Petunidin 3-rhamnoside 5-glucoside,FMIONHNHIFPJRO-UHFFFAOYSA-O
HMDB38100,787.208554066,C37H39O19,COC1=CC(=CC(O)=C1O)C1=C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1,"InChI=1S/C37H38O19/c1-50-23-9-16(8-20(41)28(23)43)35-24(12-19-21(52-35)10-18(40)11-22(19)53-36-33(48)31(46)29(44)25(13-38)55-36)54-37-34(49)32(47)30(45)26(56-37)14-51-27(42)7-4-15-2-5-17(39)6-3-15/h2-12,25-26,29-34,36-38,44-49H,13-14H2,1H3,(H3-,39,40,41,42,43)/p+1",ZGMRIMVMTYZQLM,UHFFFAOYSA,O,Petunidin 3-(6''-p-coumaryl-glucoside) 5-glucoside,ZGMRIMVMTYZQLM-UHFFFAOYSA-O
HMDB38101,582.116211546,C32H22O11,COC1=CC(=CC(=C1OC)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C32H22O11/c1-40-27-8-15(25-12-22(38)29-19(35)9-17(34)10-26(29)42-25)7-18(31(27)41-2)28-20(36)11-21(37)30-23(39)13-24(43-32(28)30)14-3-5-16(33)6-4-14/h3-13,33-37H,1-2H3",RQNXAFVREOYDNA,UHFFFAOYSA,N,5'-Methoxybilobetin,RQNXAFVREOYDNA-UHFFFAOYSA-N
HMDB38102,392.198759384,C25H28O4,CC(C)=CCC1=C(O)C=CC(C2COC3=C(C2)C=CC2=C3C=CC(C)(C)O2)=C1O,"InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3",HZHXMXSXYQCAIG,UHFFFAOYSA,N,(R)-Hispaglabridin A,HZHXMXSXYQCAIG-UHFFFAOYSA-N
HMDB38103,390.18310932,C25H26O4,CC1(C)OC2=C(C=C1)C(O)=C(C=C2)C1COC2=C(C1)C=CC1=C2C=CC(C)(C)O1,"InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3",CJUFYKORDZSOLF,UHFFFAOYSA,N,(R)-Hispaglabridin B,CJUFYKORDZSOLF-UHFFFAOYSA-N
HMDB38104,334.250794954,C21H34O3,CCCC\C=C/CCCCCCCCC\C=C1\C(O)C(=C)OC1=O,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h6-7,17,20,22H,2-5,8-16H2,1H3/b7-6-,19-17-",PBBONDCKOKLJIC,MJKSAKIDSA,N,Isolinderenolide,PBBONDCKOKLJIC-MJKSAKIDSA-N
HMDB38105,336.266445018,C21H36O3,CCCCCCCCCCCCCCC\C=C1\C(O)C(=C)OC1=O,"InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h17,20,22H,2-16H2,1H3/b19-17-",HFEZVKMFKXUREP,ZPHPHTNESA,N,Isolinderanolide,HFEZVKMFKXUREP-ZPHPHTNESA-N
HMDB38106,600.41786028,C40H56O4,C/C(/C=C/C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O)=C/C=C/C=C(\C)/C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(43-39)27-37(39,9)41)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(44-40)28-38(40,10)42/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21+,24-22+,29-15+,30-16-,31-19+,32-20-",RZEVGLVRLUDYEA,GGFCQLCOSA,N,Cycloviolaxanthin,RZEVGLVRLUDYEA-GGFCQLCOSA-N
HMDB38107,178.135765198,C12H18O,CC(=C)\C=C/C1CC(C)=CCCO1,"InChI=1S/C12H18O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h5-7,12H,1,4,8-9H2,2-3H3/b7-6-",JEUOOEBZKFVZGG,SREVYHEPSA,N,Quinceoxepine,JEUOOEBZKFVZGG-SREVYHEPSA-N
HMDB38108,180.151415262,C12H20O,CC1CCCOC(C1)\C=C/C(C)=C,"InChI=1S/C12H20O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h6-7,11-12H,1,4-5,8-9H2,2-3H3/b7-6-",RLBHQLPVVYXAQJ,SREVYHEPSA,N,cis-Quinceoxepane,RLBHQLPVVYXAQJ-SREVYHEPSA-N
HMDB38109,422.20932407,C26H30O5,COC1=CC2=C(C=C1CC=C(C)C)C1COC3=C(C1O2)C(O)=C(CC=C(C)C)C(O)=C3,"InChI=1S/C26H30O5/c1-14(2)6-8-16-10-18-19-13-30-23-11-20(27)17(9-7-15(3)4)25(28)24(23)26(19)31-22(18)12-21(16)29-5/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3",YCYLVHIWXLJVIC,UHFFFAOYSA,N,1-Methoxyficifolinol,YCYLVHIWXLJVIC-UHFFFAOYSA-N
HMDB38110,300.099773622,C17H16O5,COC1=CC(OC)=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C17H16O5/c1-20-11-4-6-12(15(8-11)21-2)14-9-22-16-7-10(18)3-5-13(16)17(14)19/h3-8,14,18H,9H2,1-2H3",JOVYBWHPTQRVNZ,UHFFFAOYSA,N,Sativanone,JOVYBWHPTQRVNZ-UHFFFAOYSA-N
HMDB38111,374.136553058,C20H22O7,CC(C)(O)CCC1=C2OCC(C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H22O7/c1-20(2,26)6-5-12-15(23)8-16(24)17-18(25)13(9-27-19(12)17)11-4-3-10(21)7-14(11)22/h3-4,7-8,13,21-24,26H,5-6,9H2,1-2H3",QISUKJAAXYVLMA,UHFFFAOYSA,N,Kievitone hydrate,QISUKJAAXYVLMA-UHFFFAOYSA-N
HMDB38112,374.136553058,C20H22O7,CC(CO)CCC1=C2OCC(C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H22O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h3,5-7,10,14,21-25H,2,4,8-9H2,1H3",AHXHRRAHHBWGJJ,UHFFFAOYSA,N,Kievitol,AHXHRRAHHBWGJJ-UHFFFAOYSA-N
HMDB38113,358.141638436,C20H22O6,CC(C)(O)CCC1=C(O)C=CC2=C1OCC(C2=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H22O6/c1-20(2,25)8-7-13-16(22)6-5-14-18(24)15(10-26-19(13)14)12-4-3-11(21)9-17(12)23/h3-6,9,15,21-23,25H,7-8,10H2,1-2H3",BYQKGWSQMLLYGJ,UHFFFAOYSA,N,5-Deoxykievitone hydrate,BYQKGWSQMLLYGJ-UHFFFAOYSA-N
HMDB38114,370.141638436,C21H22O6,COC1=CC(O)=C(C=C1)C1COC2=C(CC=C(C)C)C(O)=CC(O)=C2C1=O,"InChI=1S/C21H22O6/c1-11(2)4-6-14-17(23)9-18(24)19-20(25)15(10-27-21(14)19)13-7-5-12(26-3)8-16(13)22/h4-5,7-9,15,22-24H,6,10H2,1-3H3",UWWHTKLNJDNLDI,UHFFFAOYSA,N,4'-O-Methylkievitone,UWWHTKLNJDNLDI-UHFFFAOYSA-N
HMDB38115,202.062994186,C12H10O3,CC(=C)OC1=CC(=O)OC2=CC=CC=C12,"InChI=1S/C12H10O3/c1-8(2)14-11-7-12(13)15-10-6-4-3-5-9(10)11/h3-7H,1H2,2H3",UUTFFHNHMRSARV,UHFFFAOYSA,N,Setarin,UUTFFHNHMRSARV-UHFFFAOYSA-N
HMDB38116,488.350174646,C30H48O5,CC(CC\C=C(/C)C(O)=O)C1CC(O)C2(C)C3CCC4C5(CC35C(O)CC12C)CCC(O)C4(C)C,"InChI=1S/C30H48O5/c1-17(8-7-9-18(2)25(34)35)19-14-23(32)28(6)21-11-10-20-26(3,4)22(31)12-13-29(20)16-30(21,29)24(33)15-27(19,28)5/h9,17,19-24,31-33H,7-8,10-16H2,1-6H3,(H,34,35)/b18-9+",ITIWNCJDHYQADX,GIJQJNRQSA,N,Ananasic acid,ITIWNCJDHYQADX-GIJQJNRQSA-N
HMDB38117,508.215591238,C22H36O13,CC(C)(O)C1CCC(=CC1)C(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C22H36O13/c1-21(2,31)11-5-3-10(4-6-11)19(30)32-8-13-14(25)16(27)17(28)20(33-13)35-22(9-24)18(29)15(26)12(7-23)34-22/h3,11-18,20,23-29,31H,4-9H2,1-2H3/t11?,12-,13-,14-,15-,16+,17-,18+,20-,22+/m1/s1",NRXDBALRMKOHET,QWENIEMVSA,N,6-O-Oleuropeoylsucrose,NRXDBALRMKOHET-QWENIEMVSA-N
HMDB38118,204.187800768,C15H24,CC(C)=C1CCC2(C)CCCC(=C)C2C1,"InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3",RMZHSBMIZBMVMN,UHFFFAOYSA,N,gamma-Selinene,RMZHSBMIZBMVMN-UHFFFAOYSA-N
HMDB38119,220.18271539,C15H24O,CC1CCC(=O)C2CCC(CC12C)C(C)=C,"InChI=1S/C15H24O/c1-10(2)12-6-7-13-14(16)8-5-11(3)15(13,4)9-12/h11-13H,1,5-9H2,2-4H3",YHPOLTFUARNADB,UHFFFAOYSA,N,Eremofukinone,YHPOLTFUARNADB-UHFFFAOYSA-N
HMDB38120,296.162373878,C16H24O5,COC1C(=O)CCC2(CO2)C1(O)C1(C)OC1CC=C(C)C,"InChI=1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3",NESRXFGQJARQNM,UHFFFAOYSA,N,Ovalicin,NESRXFGQJARQNM-UHFFFAOYSA-N
HMDB38121,136.125200515,C10H16,CC12C3CC(CC13)C2(C)C,"InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3",RRBYUSWBLVXTQN,UHFFFAOYSA,N,"1,7,7-Trimethyltricyclo[2.2.1.02,6]heptane",RRBYUSWBLVXTQN-UHFFFAOYSA-N
HMDB38122,236.177630012,C15H24O2,CC(C)C1CC23OC1(O)CC(=C)C2CCC3C,"InChI=1S/C15H24O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h9,11-13,16H,3,5-8H2,1-2,4H3",QRMPRVXWPCLVNI,UHFFFAOYSA,N,Curcumol,QRMPRVXWPCLVNI-UHFFFAOYSA-N
HMDB38123,220.18271539,C15H24O,CC(C)C1CCC2(C)C3CCC(=C)C(O3)C12,"InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3",BITBXAWCPCNKKN,UHFFFAOYSA,N,"1,5-Epoxy-4(14)-salvialene",BITBXAWCPCNKKN-UHFFFAOYSA-N
HMDB38124,204.187800768,C15H24,CC1(C)CC23C1CCC2(C)CCCC3=C,"InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h12H,1,5-10H2,2-4H3",LTMKWDWWHXRNMO,UHFFFAOYSA,N,beta-Panasinsene,LTMKWDWWHXRNMO-UHFFFAOYSA-N
HMDB38125,202.172150704,C15H22,CC(C)C1CC=C(C)C2=CCC(C)=CC12,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6-7,9-10,13,15H,5,8H2,1-4H3",KGEVYKNFJQYULL,UHFFFAOYSA,N,"1,4,9-Cadinatriene",KGEVYKNFJQYULL-UHFFFAOYSA-N
HMDB38126,242.07903818,C11H14O6,COC(=O)C(C1CCC2=C1C(O)OC2)C(O)=O,"InChI=1S/C11H14O6/c1-16-10(14)8(9(12)13)6-3-2-5-4-17-11(15)7(5)6/h6,8,11,15H,2-4H2,1H3,(H,12,13)",XNIJPPBKASPAIZ,UHFFFAOYSA,N,Genipinic acid,XNIJPPBKASPAIZ-UHFFFAOYSA-N
HMDB38127,352.094688244,C20H16O6,CC(=C)C1CC2=C(O)C3=C(OC=C(C3=O)C3=C(O)C=C(O)C=C3)C=C2O1,"InChI=1S/C20H16O6/c1-9(2)15-6-12-16(26-15)7-17-18(19(12)23)20(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,15,21-23H,1,6H2,2H3",DOGAHANJPKBCGB,UHFFFAOYSA,N,Lupinisoflavone A,DOGAHANJPKBCGB-UHFFFAOYSA-N
HMDB38128,302.115423686,C17H18O5,COC1=C(O)C=CC(C2COC3=C(C2)C=CC(O)=C3)=C1OC,"InChI=1S/C17H18O5/c1-20-16-13(5-6-14(19)17(16)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3",HHNUTZFOMIAQMX,UHFFFAOYSA,N,(±)-Sphaerosin,HHNUTZFOMIAQMX-UHFFFAOYSA-N
HMDB38130,206.167065326,C14H22O,CCC(=O)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+",LMWNGLDCJDIIBR,CMDGGOBGSA,N,"1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one",LMWNGLDCJDIIBR-CMDGGOBGSA-N
HMDB38134,220.18271539,C15H24O,CC1CC(OC11CCC(C)=CC1)C=C(C)C,"InChI=1S/C15H24O/c1-11(2)9-14-10-13(4)15(16-14)7-5-12(3)6-8-15/h5,9,13-14H,6-8,10H2,1-4H3",DEIBHEUILKXZOZ,UHFFFAOYSA,N,Bisabolene oxide,DEIBHEUILKXZOZ-UHFFFAOYSA-N
HMDB38135,204.187800768,C15H24,CC1=CCCC2(C)CCC3C(C)(C)CC123,"InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h6,12H,5,7-10H2,1-4H3",WHXUZXDWQKUIJL,UHFFFAOYSA,N,alpha-Panasinsene,WHXUZXDWQKUIJL-UHFFFAOYSA-N
HMDB38136,238.193280076,C15H26O2,CC(C)C1=CCC(C)(O)C2CCC(C)(O)C2C1,"InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h5,10,12-13,16-17H,6-9H2,1-4H3",FNMDHMSGEIODFP,UHFFFAOYSA,N,Curcumadiol,FNMDHMSGEIODFP-UHFFFAOYSA-N
HMDB38137,204.187800768,C15H24,C\C1=C\CC\C(C)=C/C2C(CC1)C2(C)C,"InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6-,12-10-",VPDZRSSKICPUEY,SUYBHAEQSA,N,Bicyclogermacrene,VPDZRSSKICPUEY-SUYBHAEQSA-N
HMDB38138,238.193280076,C15H26O2,CC(C)=CCCC1(C)OC2(C)CCC1CC2O,"InChI=1S/C15H26O2/c1-11(2)6-5-8-14(3)12-7-9-15(4,17-14)13(16)10-12/h6,12-13,16H,5,7-10H2,1-4H3",YXKYEDPZIRLAKN,UHFFFAOYSA,N,alpha-Bisabolol oxide C,YXKYEDPZIRLAKN-UHFFFAOYSA-N
HMDB38139,204.187800768,C15H24,CC(C)C1CCC(=C)C2CCC(=C)CC12,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10,13-15H,3-9H2,1-2H3",NOLWRMQDWRAODO,UHFFFAOYSA,N,epsilon-Muurolene,NOLWRMQDWRAODO-UHFFFAOYSA-N
HMDB38140,122.109550448,C9H14,CC1=C(C)C2CCC1C2,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3",LSIXBBPOJBJQHN,UHFFFAOYSA,N,Santene,LSIXBBPOJBJQHN-UHFFFAOYSA-N
HMDB38141,696.408477384,C37H60O12,CC(C)C1(O)CC(OC1O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C37H60O12/c1-17(2)37(46)14-20(48-31(37)45)18(3)19-9-10-33(5)22-7-8-23-34(6,30(44)49-29-28(43)27(42)26(41)21(15-38)47-29)24(39)13-25(40)36(23)16-35(22,36)12-11-32(19,33)4/h17-29,31,38-43,45-46H,7-16H2,1-6H3",KKUOJZVNLJCTPF,UHFFFAOYSA,N,Glucosyl passiflorate,KKUOJZVNLJCTPF-UHFFFAOYSA-N
HMDB38142,264.013483272,C10H16S4,CC(C)=CCC\C1=C\CSSSSC1,"InChI=1S/C10H16S4/c1-9(2)4-3-5-10-6-7-11-13-14-12-8-10/h4,6H,3,5,7-8H2,1-2H3/b10-6-",OKRAIIIRDYCGGZ,POHAHGRESA,N,"5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin",OKRAIIIRDYCGGZ-POHAHGRESA-N
HMDB38143,520.230847372,C27H36O10,COC(=O)C[C@H](O)[C@]1(C)C2CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]2(C)[C@@H](O)C(=O)C1C(C)(C)O)C1=COC=C1,"InChI=1S/C27H36O10/c1-23(2,33)18-17(30)19(31)26(5)14(25(18,4)15(28)11-16(29)34-6)7-9-24(3)20(13-8-10-35-12-13)36-22(32)21-27(24,26)37-21/h8,10,12,14-15,18-21,28,31,33H,7,9,11H2,1-6H3/t14?,15-,18?,19-,20-,21+,24-,25-,26-,27+/m0/s1",DQSNUOLMAKKASD,KUNOYEQWSA,N,Calamin,DQSNUOLMAKKASD-KUNOYEQWSA-N
HMDB38144,236.177630012,C15H24O2,CC1CCCC2CC(=O)C(=CC12C)C(C)(C)O,"InChI=1S/C15H24O2/c1-10-6-5-7-11-8-13(16)12(14(2,3)17)9-15(10,11)4/h9-11,17H,5-8H2,1-4H3",LYFRYUAWUBLCKH,UHFFFAOYSA,N,Petasitolone,LYFRYUAWUBLCKH-UHFFFAOYSA-N
HMDB38145,325.131408101,C19H19NO4,CN1C2=CC(O)=C(CC=C(C)C)C(O)=C2C(=O)C2=C1C(O)=CC=C2,"InChI=1S/C19H19NO4/c1-10(2)7-8-11-15(22)9-13-16(18(11)23)19(24)12-5-4-6-14(21)17(12)20(13)3/h4-7,9,21-23H,8H2,1-3H3",YDKCXKMKJZNVHQ,UHFFFAOYSA,N,Junosine,YDKCXKMKJZNVHQ-UHFFFAOYSA-N
HMDB38146,220.18271539,C15H24O,CC(C)C1=C(CCC(C)=C)C(=O)C(C)CC1,"InChI=1S/C15H24O/c1-10(2)6-8-14-13(11(3)4)9-7-12(5)15(14)16/h11-12H,1,6-9H2,2-5H3",GPXJKVFRKZAYCC,UHFFFAOYSA,N,Calacone,GPXJKVFRKZAYCC-UHFFFAOYSA-N
HMDB38147,216.151415262,C15H20O,CC(=C)C1CC2=C(CC1(C)C=C)OC=C2C,"InChI=1S/C15H20O/c1-6-15(5)8-14-12(11(4)9-16-14)7-13(15)10(2)3/h6,9,13H,1-2,7-8H2,3-5H3",HICAMHOOTMOHPA,UHFFFAOYSA,N,Isogermafurene,HICAMHOOTMOHPA-UHFFFAOYSA-N
HMDB38148,266.151809192,C15H22O4,CC(CO)CC(=O)CC1(C)CCC(O1)C1=COC=C1,"InChI=1S/C15H22O4/c1-11(9-16)7-13(17)8-15(2)5-3-14(19-15)12-4-6-18-10-12/h4,6,10-11,14,16H,3,5,7-9H2,1-2H3",LKVKWNDXOWODLO,UHFFFAOYSA,N,Ipomeamaronol,LKVKWNDXOWODLO-UHFFFAOYSA-N
HMDB38149,346.162767808,C16H26O8,CC1C(CC2C1C(=O)OCC2C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H26O8/c1-6-5-22-15(21)11-7(2)9(3-8(6)11)23-16-14(20)13(19)12(18)10(4-17)24-16/h6-14,16-20H,3-5H2,1-2H3",CUIDBUWFCFYEPL,UHFFFAOYSA,N,Nepetaside,CUIDBUWFCFYEPL-UHFFFAOYSA-N
HMDB38150,136.125200512,C10H16,CC(C)C1=CCC(C)C=C1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6-9H,5H2,1-3H3",AAIXZDBTEWDLSG,UHFFFAOYSA,N,"p-Mentha-2,4-diene",AAIXZDBTEWDLSG-UHFFFAOYSA-N
HMDB38151,236.159871458,C15H24S,CC(C)C1CCC2(C)C3CCC(=C)C(S3)C12,"InChI=1S/C15H24S/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3",HVLGGQYBXOJMLO,UHFFFAOYSA,N,Mintsulfide,HVLGGQYBXOJMLO-UHFFFAOYSA-N
HMDB38152,404.256274262,C24H36O5,CC(=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C24H36O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16-18,26,28-29H,7-11H2,1-6H3",JEVOHZHOHSNOGF,UHFFFAOYSA,N,Lucidone C,JEVOHZHOHSNOGF-UHFFFAOYSA-N
HMDB38153,268.167459256,C15H24O4,CC(C)C(O)C(O)CC(C)CCC(=O)C1=COC=C1,"InChI=1S/C15H24O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,14-15,17-18H,4-5,8H2,1-3H3",PRLJTIPWGNRUNG,UHFFFAOYSA,N,"1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone",PRLJTIPWGNRUNG-UHFFFAOYSA-N
HMDB38154,268.167459256,C15H24O4,CC1C(O)C(=O)C=C(C)C11CCC(C1)C(C)(O)CO,"InChI=1S/C15H24O4/c1-9-6-12(17)13(18)10(2)15(9)5-4-11(7-15)14(3,19)8-16/h6,10-11,13,16,18-19H,4-5,7-8H2,1-3H3",DQOOWVDEQWNBKX,UHFFFAOYSA,N,"3,11,12-Trihydroxy-1(10)-spirovetiven-2-one",DQOOWVDEQWNBKX-UHFFFAOYSA-N
HMDB38155,204.187800768,C15H24,CC(C)C1CCC2(C)C3CCC(=C)C3C12,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3",YIRAHEODBQONHI,UHFFFAOYSA,N,beta-Bourbonene,YIRAHEODBQONHI-UHFFFAOYSA-N
HMDB38156,264.136159128,C15H20O4,CC(=O)CCCC1(C)CC2OC(=O)C(=C)C2CC1=O,"InChI=1S/C15H20O4/c1-9(16)5-4-6-15(3)8-12-11(7-13(15)17)10(2)14(18)19-12/h11-12H,2,4-8H2,1,3H3",MIRSLSRVCIOISZ,UHFFFAOYSA,N,Umbellifolide,MIRSLSRVCIOISZ-UHFFFAOYSA-N
HMDB38157,204.187800768,C15H24,CC1CCC2=C1CC(CCC2C)=C(C)C,"InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3",GIBQERSGRNPMEH,UHFFFAOYSA,N,beta-Guaiene,GIBQERSGRNPMEH-UHFFFAOYSA-N
HMDB38158,468.178417872,C26H28O8,[H][C@]12OC(C)(C)C3CC(=O)[C@]4(C)C(CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@@]456)C4=COC=C4)[C@]13C=CC(=O)O2,"InChI=1S/C26H28O8/c1-22(2)15-11-16(27)24(4)14(25(15)9-6-17(28)31-21(25)34-22)5-8-23(3)18(13-7-10-30-12-13)32-20(29)19-26(23,24)33-19/h6-7,9-10,12,14-15,18-19,21H,5,8,11H2,1-4H3/t14?,15?,18-,19+,21-,23-,24-,25-,26+/m0/s1",ZYPFSBYGJYBBBK,GLEICTKYSA,N,Jangomolide,ZYPFSBYGJYBBBK-GLEICTKYSA-N
HMDB38159,462.188982558,C24H30O9,COC(=O)C[C@H](O)[C@@]1(C)CC(=O)C(O)[C@]2(C)C1CC[C@@]1(C)[C@@H](OC(=O)[C@H]3O[C@@]213)C1=COC=C1,"InChI=1S/C24H30O9/c1-21(15(26)9-16(27)30-4)10-13(25)17(28)23(3)14(21)5-7-22(2)18(12-6-8-31-11-12)32-20(29)19-24(22,23)33-19/h6,8,11,14-15,17-19,26,28H,5,7,9-10H2,1-4H3/t14?,15-,17?,18-,19+,21-,22-,23-,24+/m0/s1",HMNKPIJMXBZMJF,IHGWNHGOSA,N,Retrocalamin,HMNKPIJMXBZMJF-IHGWNHGOSA-N
HMDB38160,220.18271539,C15H24O,CC(C)C1CCC2(C)C1CC(=C)CCC2=O,"InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(12)9-11(3)5-6-14(15)16/h10,12-13H,3,5-9H2,1-2,4H3",JBOONPKUPONSIB,UHFFFAOYSA,N,7(14)-Isodaucen-10-one,JBOONPKUPONSIB-UHFFFAOYSA-N
HMDB38161,252.091707495,C14H17ClO2,CC1C(O)C2=C(C1=O)C(C)=C(CCCl)C(C)=C2,"InChI=1S/C14H17ClO2/c1-7-6-11-12(8(2)10(7)4-5-15)14(17)9(3)13(11)16/h6,9,13,16H,4-5H2,1-3H3",QKHXGZXWZRQICQ,UHFFFAOYSA,N,Pterosin J,QKHXGZXWZRQICQ-UHFFFAOYSA-N
HMDB38162,196.125200512,C15H16,CC(=C)C1=CC2=C(C)C=CC2=C(C)C=C1,"InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-9H,1H2,2-4H3",KFLXZUPIDNPCSD,UHFFFAOYSA,N,Lactarazulene,KFLXZUPIDNPCSD-UHFFFAOYSA-N
HMDB38163,196.125200512,C15H16,CC(=C)C1=CC2=C(C=CC2=C)C(C)=CC1,"InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-6,8-9H,1,4,7H2,2-3H3",YYIAVHDWWCIAMQ,UHFFFAOYSA,N,Lactarofulvene,YYIAVHDWWCIAMQ-UHFFFAOYSA-N
HMDB38164,218.167065326,C15H22O,CC1=CC(=O)C2C3C1C2(C)CCCC3(C)C,"InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3",KTPOZFYJWLGJGH,UHFFFAOYSA,N,Vulgarone B,KTPOZFYJWLGJGH-UHFFFAOYSA-N
HMDB38165,268.167459256,C15H24O4,CC(C)C(=O)[C@]1(CC[C@@H](C)C(=O)C1)[C@@H](C)CC(O)=O,"InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)/t10-,11+,15+/m1/s1",ZIOCYJNRYIRTQD,ZETOZRRWSA,N,Acoric acid,ZIOCYJNRYIRTQD-ZETOZRRWSA-N
HMDB38166,204.187800768,C15H24,CC(=C)C1C2C(CCC1(C)C=C)C2(C)C,"InChI=1S/C15H24/c1-7-15(6)9-8-11-13(14(11,4)5)12(15)10(2)3/h7,11-13H,1-2,8-9H2,3-6H3",LKQMMFFQYMYQOJ,UHFFFAOYSA,N,Bicycloelemene,LKQMMFFQYMYQOJ-UHFFFAOYSA-N
HMDB38167,222.198365454,C15H26O,[H][C@]12[C@H]3[C@@H](CC[C@]1(C)CCC[C@]2(C)O)C3(C)C,"InChI=1S/C15H26O/c1-13(2)10-6-9-14(3)7-5-8-15(4,16)12(14)11(10)13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m1/s1",CJRKEDMYNFITCQ,MUGBGTHKSA,N,Maalialcohol,CJRKEDMYNFITCQ-MUGBGTHKSA-N
HMDB38168,204.187800773,C15H24,CC1=CC2C(CC1)C(C)=CCCC2(C)C,"InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h6,10,13-14H,5,7-9H2,1-4H3",PUWNTRHCKNHSAT,UHFFFAOYSA,N,gamma-Himachalene,PUWNTRHCKNHSAT-UHFFFAOYSA-N
HMDB38169,136.125200515,C10H16,CC(C)=CCCC(=C)C=C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",UAHWPYUMFXYFJY,UHFFFAOYSA,N,"7-Methyl-3-methylene-1,6-octadiene",UAHWPYUMFXYFJY-UHFFFAOYSA-N
HMDB38170,506.215197308,C26H34O10,CC1(C)OC[C@]2(C(O)CC(O)=O)C1CC(=O)[C@]1(C)C2CC[C@@](C)([C@@H](O)C2=COC=C2)[C@@]11O[C@@H]1C(O)=O,"InChI=1S/C26H34O10/c1-22(2)15-9-16(27)24(4)14(25(15,12-35-22)17(28)10-18(29)30)5-7-23(3,19(31)13-6-8-34-11-13)26(24)20(36-26)21(32)33/h6,8,11,14-15,17,19-20,28,31H,5,7,9-10,12H2,1-4H3,(H,29,30)(H,32,33)/t14?,15?,17?,19-,20+,23-,24-,25+,26+/m0/s1",JSDNZHXBKWCZDG,RWQHKGFASA,N,Isolimonic acid,JSDNZHXBKWCZDG-RWQHKGFASA-N
HMDB38171,526.256668192,C30H38O8,[H][C@@]12C(=O)[C@@](C)(C3=C1[C@@](C)(O)CC[C@H]1[C@H](C)C(=O)O[C@H]31)[C@@]1([H])[C@H](O)C3=C([C@H]4OC(=O)[C@@H](C)[C@@H]4CC[C@]3(C)O)[C@@]21C,"InChI=1S/C30H38O8/c1-11-13-7-9-27(3,35)15-17(21(13)37-25(11)33)30(6)23-20(31)16-18(29(23,5)19(15)24(30)32)22-14(8-10-28(16,4)36)12(2)26(34)38-22/h11-14,19-23,31,35-36H,7-10H2,1-6H3/t11-,12-,13-,14-,19-,20+,21-,22-,23-,27-,28-,29-,30-/m0/s1",ANVQPXYQHSOZNE,UMDUJLOZSA,N,Absintholide,ANVQPXYQHSOZNE-UMDUJLOZSA-N
HMDB38172,302.224580204,C20H30O2,CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(C1CC2)C(O)=O,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)",MLBYBBUZURKHAW,UHFFFAOYSA,N,"8,13-Abietadien-18-oic acid",MLBYBBUZURKHAW-UHFFFAOYSA-N
HMDB38173,305.177964363,C21H23NO,OC(C#CCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H23NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-9,16-18H2",MGWAMKURIHGGNO,UHFFFAOYSA,N,Halocins,MGWAMKURIHGGNO-UHFFFAOYSA-N
HMDB38174,139.063328537,C7H9NO2,CC(=O)C1=C(C)N=C(C)O1,InChI=1S/C7H9NO2/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3,YJWCNOMJKJYKLQ,UHFFFAOYSA,N,"5-Acetyl-2,4-dimethyloxazole",YJWCNOMJKJYKLQ-UHFFFAOYSA-N
HMDB38175,111.032028409,C5H5NO2,CC(=O)C1=NC=CO1,"InChI=1S/C5H5NO2/c1-4(7)5-6-2-3-8-5/h2-3H,1H3",QCDUAXSWPGEYBB,UHFFFAOYSA,N,2-Acetyloxazole,QCDUAXSWPGEYBB-UHFFFAOYSA-N
HMDB38176,136.0524295,C8H8O2,C\C(C=O)=C/C1=CC=CO1,"InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3/b7-5+",ZNBXZUKDRRRQJK,FNORWQNLSA,N,alpha-Methyl-2-furanacrolein,ZNBXZUKDRRRQJK-FNORWQNLSA-N
HMDB38177,456.360345402,C30H48O3,CC(C)=CCCC(C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C)C(O)=O,"InChI=1S/C30H48O3/c1-19(2)8-7-9-20(25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h8,20-24,31H,7,9-18H2,1-6H3,(H,32,33)",ATCKKDRMJPISRM,UHFFFAOYSA,N,3-Hydroxycycloart-24-en-21-oic acid,ATCKKDRMJPISRM-UHFFFAOYSA-N
HMDB38178,236.177630012,C15H24O2,CC(C1CCC(C)(O1)C=C)C(=O)CC=C(C)C,"InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3",FJKKZNIYYVEYOL,UHFFFAOYSA,N,Davanone,FJKKZNIYYVEYOL-UHFFFAOYSA-N
HMDB38179,178.099379692,C11H14O2,CC(C(C)=O)C1=C(O)C=C(C)C=C1,"InChI=1S/C11H14O2/c1-7-4-5-10(11(13)6-7)8(2)9(3)12/h4-6,8,13H,1-3H3",YWKYLGVKGIAHDU,UHFFFAOYSA,N,3-(2-Hydroxy-4-methylphenyl)-2-butanone,YWKYLGVKGIAHDU-UHFFFAOYSA-N
HMDB38180,192.115029756,C12H16O2,CCC(=O)C(C)C1=C(O)C=C(C)C=C1,"InChI=1S/C12H16O2/c1-4-11(13)9(3)10-6-5-8(2)7-12(10)14/h5-7,9,14H,4H2,1-3H3",XKKGHYTULRMGQQ,UHFFFAOYSA,N,2-(2-Hydroxy-4-methylphenyl)-3-pentanone,XKKGHYTULRMGQQ-UHFFFAOYSA-N
HMDB38181,182.094294314,C10H14O3,CC1CCC2=C(C)C(=O)OC2(O)C1,"InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3",LBNWZGLSMCTAQB,UHFFFAOYSA,N,Peperinic acid,LBNWZGLSMCTAQB-UHFFFAOYSA-N
HMDB38182,232.041412582,C10H16S3,CC(C)=CCCC1=CCSSSC1,"InChI=1S/C10H16S3/c1-9(2)4-3-5-10-6-7-11-13-12-8-10/h4,6H,3,5,7-8H2,1-2H3",SKNZXXPBLPEMIO,UHFFFAOYSA,N,"4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin",SKNZXXPBLPEMIO-UHFFFAOYSA-N
HMDB38183,166.081621138,C10H14S,CC(C)=CCCC1=CSC=C1,"InChI=1S/C10H14S/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3",UAGFAMQTBLSQSU,UHFFFAOYSA,N,3-(4-Methyl-3-pentenyl)thiophene,UAGFAMQTBLSQSU-UHFFFAOYSA-N
HMDB38184,164.083729628,C10H12O2,CC(C)=CCC(=O)C1=COC=C1,"InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h3,5-7H,4H2,1-2H3",MGIXHQSSTZKVOO,UHFFFAOYSA,N,Egomaketone,MGIXHQSSTZKVOO-UHFFFAOYSA-N
HMDB38185,154.135765198,C10H18O,C\C=C(\C)C1CCC(C)(C)O1,"InChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3/b8-5-",LPEYLSKLVYWOEQ,YVMONPNESA,N,Ocimen quintoxide,LPEYLSKLVYWOEQ-YVMONPNESA-N
HMDB38186,188.141244504,C10H20O3,CC(C)(O)C(O)CCC(C)(O)C=C,"InChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3",CNYFGLAROLNGDG,UHFFFAOYSA,N,"2,6-Dimethyl-7-octene-2,3,6-triol",CNYFGLAROLNGDG-UHFFFAOYSA-N
HMDB38187,218.167065326,C15H22O,CC(C)=CC(=O)CC(=C)C1CCC(C)=CC1,"InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9,14H,4,6-8,10H2,1-3H3",LRDZCBICVMXPBB,UHFFFAOYSA,N,beta-Atlantone,LRDZCBICVMXPBB-UHFFFAOYSA-N
HMDB38188,246.125594442,C15H18O3,CC1=COC2=C1C(=O)C1=C(C)CCC(O)C1(C)C2,"InChI=1S/C15H18O3/c1-8-4-5-11(16)15(3)6-10-12(9(2)7-18-10)14(17)13(8)15/h7,11,16H,4-6H2,1-3H3",PFIXJSCFTAVWBW,UHFFFAOYSA,N,Curcolone,PFIXJSCFTAVWBW-UHFFFAOYSA-N
HMDB38189,512.31378914,C31H44O6,CC1=C2CC(CCC2(C)C2OC3(CC4(C)CCC(CC4=C(C)C3=O)C(C)(C)O)C(=O)C2C1=O)C(C)(C)O,"InChI=1S/C31H44O6/c1-16-21-14-19(28(5,6)36)10-12-30(21,8)26-22(23(16)32)25(34)31(37-26)15-29(7)11-9-18(27(3,4)35)13-20(29)17(2)24(31)33/h18-19,22,26,35-36H,9-15H2,1-8H3",SKUVBRVOKSCXDJ,UHFFFAOYSA,N,Carindone,SKUVBRVOKSCXDJ-UHFFFAOYSA-N
HMDB38190,234.161979948,C15H22O2,CC1=C2CC(O)C(CC2=C(C)C=C1)C(C)(C)O,"InChI=1S/C15H22O2/c1-9-5-6-10(2)12-8-14(16)13(7-11(9)12)15(3,4)17/h5-6,13-14,16-17H,7-8H2,1-4H3",CHZJSQCDRSPCMD,UHFFFAOYSA,N,Rishitinol,CHZJSQCDRSPCMD-UHFFFAOYSA-N
HMDB38191,126.140850576,C9H18,CC(C)C1CCCCC1,"InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",GWESVXSMPKAFAS,UHFFFAOYSA,N,Isopropylcyclohexane,GWESVXSMPKAFAS-UHFFFAOYSA-N
HMDB38192,170.112921266,C10H18S,CC(C)C1CCC(C)CC1=S,"InChI=1S/C10H18S/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",MUUULGAGZBWUDA,UHFFFAOYSA,N,p-Menth-3-ene-3-thiol,MUUULGAGZBWUDA-UHFFFAOYSA-N
HMDB38193,220.18271539,C15H24O,CC(C)C1CCC(C)(C=C)C(=C(C)C)C1=O,"InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12H,1,8-9H2,2-6H3",YMIHAYABXZORPU,UHFFFAOYSA,N,Isoshyobunone,YMIHAYABXZORPU-UHFFFAOYSA-N
HMDB38194,178.135765198,C12H18O,CC(=C)C1CC(=O)CCC1(C)C=C,"InChI=1S/C12H18O/c1-5-12(4)7-6-10(13)8-11(12)9(2)3/h5,11H,1-2,6-8H2,3-4H3",TYUCDLXRFGFSBR,UHFFFAOYSA,N,Geijerone,TYUCDLXRFGFSBR-UHFFFAOYSA-N
HMDB38195,218.167065326,C15H22O,CC(CCC=C(C)C)C1=CC(O)=C(C)C=C1,"InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3",FKWGCEDRLNNZOZ,UHFFFAOYSA,N,Xanthorrhizol,FKWGCEDRLNNZOZ-UHFFFAOYSA-N
HMDB38196,238.193280076,C15H26O2,CC1=CCC(CC1)C1(C)CCC(O)C(C)(C)O1,"InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3",WJHRAVIQWFQMKF,UHFFFAOYSA,N,alpha-Bisabolol oxide A,WJHRAVIQWFQMKF-UHFFFAOYSA-N
HMDB38197,238.193280076,C15H26O2,CC1=CCC(CC1)C1(C)CCC(O1)C(C)(C)O,"InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3",RKBAYVATPNYHLW,UHFFFAOYSA,N,alpha-Bisabolol oxide B,RKBAYVATPNYHLW-UHFFFAOYSA-N
HMDB38198,234.161979948,C15H22O2,CC(C)CC(=O)\C=C(\C)C1CC=C(C)C(=O)C1,"InChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5,8,10,13H,6-7,9H2,1-4H3/b12-8-",KXTCYNARSLCXMW,WQLSENKSSA,N,"3,7-Bisaboladiene-2,8-dione",KXTCYNARSLCXMW-WQLSENKSSA-N
HMDB38199,470.230453442,C27H34O7,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C27H34O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-14,16H,7-12H2,1-6H3,(H,31,32)",LCFUTECDUKUAFQ,UHFFFAOYSA,N,Lucidenic acid D1,LCFUTECDUKUAFQ-UHFFFAOYSA-N
HMDB38200,218.167065326,C15H22O,CC1CCC2=C1CC(=C(C)C)C(=O)CC2C,"InChI=1S/C15H22O/c1-9(2)13-8-14-10(3)5-6-12(14)11(4)7-15(13)16/h10-11H,5-8H2,1-4H3",WJQUHMZHLUTNPJ,UHFFFAOYSA,N,Calamusenone,WJQUHMZHLUTNPJ-UHFFFAOYSA-N
HMDB38201,218.167065326,C15H22O,CC1CC(=O)C(CC2=C(C)CCC12)=C(C)C,"InChI=1S/C15H22O/c1-9(2)13-8-14-10(3)5-6-12(14)11(4)7-15(13)16/h11-12H,5-8H2,1-4H3",KOBSLTSXWKEUCB,UHFFFAOYSA,N,"4,7(11)-Guaiadien-8-one",KOBSLTSXWKEUCB-UHFFFAOYSA-N
HMDB38202,246.125594442,C15H18O3,CC1CCC2C(=C)CC3=C(C(C)=CO3)C(=O)C12O,"InChI=1S/C15H18O3/c1-8-6-12-13(9(2)7-18-12)14(16)15(17)10(3)4-5-11(8)15/h7,10-11,17H,1,4-6H2,2-3H3",CKDRPCYJCDMPFO,UHFFFAOYSA,N,Zedoarol,CKDRPCYJCDMPFO-UHFFFAOYSA-N
HMDB38203,204.187800768,C15H24,CC(C)C1CCC(C)=C2CC=C(C)CC12,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,10,13,15H,6-9H2,1-4H3",SUSBMOMALMMAGH,UHFFFAOYSA,N,omega-Cadinene,SUSBMOMALMMAGH-UHFFFAOYSA-N
HMDB38204,200.15650064,C15H20,CC(C)C1=C2C=C(C)CCC2=C(C)C=C1,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8-10H,5,7H2,1-4H3",VTUZIFHLLUSULC,UHFFFAOYSA,N,alpha-Corocalene,VTUZIFHLLUSULC-UHFFFAOYSA-N
HMDB38205,204.187800768,C15H24,[H][C@@]12CCC(C)=C[C@@]1([H])[C@@H](CC=C2C)C(C)C,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15-/m0/s1",QMAYBMKBYCGXDH,KKUMJFAQSA,N,alpha-Cadinene,QMAYBMKBYCGXDH-KKUMJFAQSA-N
HMDB38206,204.187800773,C15H24,CC(C)C1CCC(=C)C2CCC(C)=CC12,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3",WRHGORWNJGOVQY,UHFFFAOYSA,N,gamma-Muurolene,WRHGORWNJGOVQY-UHFFFAOYSA-N
HMDB38207,204.187800768,C15H24,[H][C@@]12CCC(C)=C[C@@]1([H])[C@@H](CCC2=C)C(C)C,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1",WRHGORWNJGOVQY,KKUMJFAQSA,N,gamma-Cadinene,WRHGORWNJGOVQY-KKUMJFAQSA-N
HMDB38208,220.18271539,C15H24O,CC1C\C=C/C(C)(C)C\C=C(C)/CCC1=O,"InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,13H,6-8,11H2,1-4H3/b10-5-,12-9-",XWFINABYEHNSEP,CGBKSYCJSA,N,Humuladienone,XWFINABYEHNSEP-CGBKSYCJSA-N
HMDB38209,220.18271539,C15H24O,C\C1=C\CCC2(C)OC2CC(C)(C)\C=C/C1,"InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-",RKQDKXOBRXTSFS,QZFXXANLSA,N,Humulene epoxide I,RKQDKXOBRXTSFS-QZFXXANLSA-N
HMDB38210,220.18271539,C15H24O,C\C1=C\CC(C)(C)\C=C/CC2(C)OC2CC1,"InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-",QTGAEXCCAPTGLB,QZFXXANLSA,N,Humulene epoxide II,QTGAEXCCAPTGLB-QZFXXANLSA-N
HMDB38211,220.18271539,C15H24O,C\C1=C\CCC(=C)C(O)CC(C)(C)\C=C/C1,"InChI=1S/C15H24O/c1-12-7-5-9-13(2)14(16)11-15(3,4)10-6-8-12/h6-7,10,14,16H,2,5,8-9,11H2,1,3-4H3/b10-6-,12-7-",NMGJCQNNUTYSJJ,XDPIJNQUSA,N,Humulenol I,NMGJCQNNUTYSJJ-XDPIJNQUSA-N
HMDB38212,220.18271539,C15H24O,C\C1=C\CC(C)(C)\C=C/CC(=C)C(O)CC1,"InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,14,16H,2,6-8,11H2,1,3-4H3/b10-5-,12-9-",ZHCPVYWHSOILQL,CGBKSYCJSA,N,Humulenol II,ZHCPVYWHSOILQL-CGBKSYCJSA-N
HMDB38213,222.198365454,C15H26O,C\C1=C/CC(C)(C)\C=C\CC(C)(O)CCC1,"InChI=1S/C15H26O/c1-13-7-5-10-15(4,16)11-6-9-14(2,3)12-8-13/h6,8-9,16H,5,7,10-12H2,1-4H3/b9-6+,13-8+",ZLMAVMBYWKVCLV,IMWXLZLDSA,N,Humulol,ZLMAVMBYWKVCLV-IMWXLZLDSA-N
HMDB38214,204.187800768,C15H24,C\C1=C\CC(C)(C)\C=C/CC(=C)CCC1,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,10-11H,1,5,7-9,12H2,2-4H3/b11-6-,14-10-",HAVYZKHVTLAPDZ,PRUKLFJYSA,N,beta-Humulene,HAVYZKHVTLAPDZ-PRUKLFJYSA-N
HMDB38215,218.167065326,C15H22O,C\C(CC\C=C(\C)C=O)=C/C\C=C(\C)C=C,"InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8-,14-9+,15-11-",PFSTYGCNVAVZBK,KVDYQJCMSA,N,alpha-Sinensal,PFSTYGCNVAVZBK-KVDYQJCMSA-N
HMDB38216,194.167065326,C13H22O,CC(C)CC1=CCC(CC1=O)C(C)C,"InChI=1S/C13H22O/c1-9(2)7-12-6-5-11(10(3)4)8-13(12)14/h6,9-11H,5,7-8H2,1-4H3",RRVUWHZNUXPZBP,UHFFFAOYSA,N,5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one,RRVUWHZNUXPZBP-UHFFFAOYSA-N
HMDB38217,250.112442937,C15H19ClO,CC1=CC2=C(C(=O)C(C)(C)C2)C(C)=C1CCCl,"InChI=1S/C15H19ClO/c1-9-7-11-8-15(3,4)14(17)13(11)10(2)12(9)5-6-16/h7H,5-6,8H2,1-4H3",CPNGMVOUDSBLOG,UHFFFAOYSA,N,Pterosin H,CPNGMVOUDSBLOG-UHFFFAOYSA-N
HMDB38218,234.125594442,C14H18O3,CC1=CC2=C(C(=O)C(C)(O)C2)C(C)=C1CCO,"InChI=1S/C14H18O3/c1-8-6-10-7-14(3,17)13(16)12(10)9(2)11(8)4-5-15/h6,15,17H,4-5,7H2,1-3H3",FQLXILLXEWJGFO,UHFFFAOYSA,N,Pterosin N,FQLXILLXEWJGFO-UHFFFAOYSA-N
HMDB38219,344.162373878,C20H24O5,CC(C)C1=C(O)C2=C(C(C=O)=C1)C1(CCCC(C)(C)C1C=O)C(=O)O2,"InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)15-17(16(13)23)25-18(24)20(15)7-5-6-19(3,4)14(20)10-22/h8-11,14,23H,5-7H2,1-4H3",JBWRHBJFAVSAMJ,UHFFFAOYSA,N,Rosmadial,JBWRHBJFAVSAMJ-UHFFFAOYSA-N
HMDB38220,764.153207452,C37H36N2O10S3,CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC(=C(O)C=C1)S(O)(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O,"InChI=1S/C37H36N2O10S3/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)31-16-11-28(12-17-31)37(30-15-20-35(40)36(23-30)52(47,48)49)29-13-18-32(19-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49)",MNEJSIQJOSRAAA,UHFFFAOYSA,N,Fast green FCF,MNEJSIQJOSRAAA-UHFFFAOYSA-N
HMDB38221,588.250354034,C22H36N8O11,N[C@@H](CC(O)=O)C(\O)=N\[C@@H](CO)C(\O)=N\[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1\C(O)=N\[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C22H36N8O11/c23-10(7-15(32)33)17(36)29-13(9-31)18(37)28-12(8-16(34)35)20(39)30-6-2-4-14(30)19(38)27-11(21(40)41)3-1-5-26-22(24)25/h10-14,31H,1-9,23H2,(H,27,38)(H,28,37)(H,29,36)(H,32,33)(H,34,35)(H,40,41)(H4,24,25,26)/t10-,11-,12-,13-,14-/m0/s1",KQDIGHIVUUADBZ,PEDHHIEDSA,N,Pentigetide,KQDIGHIVUUADBZ-PEDHHIEDSA-N
HMDB38222,449.104541423,C23H19N3O5S,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C1C(C(=O)C2=CC=CC=C2C1=O)[N+]1=CC=CC=C1,"InChI=1S/C23H19N3O5S/c1-15(27)24-16-9-11-17(12-10-16)32(30,31)25-20-21(26-13-5-2-6-14-26)23(29)19-8-4-3-7-18(19)22(20)28/h2-14,20-21H,1H3,(H,24,27)",QGGNFPVBCAGWRP,UHFFFAOYSA,N,Carnocin CP 5,QGGNFPVBCAGWRP-UHFFFAOYSA-N
HMDB38223,334.204513464,C22H26N2O,CCCCCCCCOC1=CC=C(\C=N\C2=CC=C(C=C2)C#N)C=C1,"InChI=1S/C22H26N2O/c1-2-3-4-5-6-7-16-25-22-14-10-20(11-15-22)18-24-21-12-8-19(17-23)9-13-21/h8-15,18H,2-7,16H2,1H3/b24-18+",OUUJTVZTPFJGMR,HKOYGPOVSA,N,Carnocin U I49,OUUJTVZTPFJGMR-HKOYGPOVSA-N
HMDB38224,1039.592698381,C48H77N15O11,CC(C)C[C@H](\N=C(/O)[C@@H]1CCCN1C(=O)[C@@H](\N=C(/O)[C@H](CC1=CC=CC=C1)\N=C(/O)C\N=C(/O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)C(\O)=N\[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C48H77N15O11/c1-27(2)24-32(39(66)58-31(46(73)74)15-8-20-55-48(52)53)59-42(69)35-17-10-22-62(35)45(72)38(28(3)64)60-40(67)33(25-29-12-5-4-6-13-29)57-37(65)26-56-41(68)34-16-9-21-61(34)44(71)36-18-11-23-63(36)43(70)30(49)14-7-19-54-47(50)51/h4-6,12-13,27-28,30-36,38,64H,7-11,14-26,49H2,1-3H3,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,50,51,54)(H4,52,53,55)/t28-,30+,31+,32+,33+,34+,35+,36+,38+/m1/s1",ASWVOLDXJJGVLP,JZFIHROJSA,N,Ornithokinin,ASWVOLDXJJGVLP-JZFIHROJSA-N
HMDB38225,368.125988372,C21H20O6,COC1=C(CC=C(C)C)C(O)=CC2=C1C=C(C(=O)O2)C1=C(O)C=C(O)C=C1,"InChI=1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3",NZYSZZDSYIBYLC,UHFFFAOYSA,N,Glycycoumarin,NZYSZZDSYIBYLC-UHFFFAOYSA-N
HMDB38226,385.152537473,C21H23NO6,COC(=O)N1CCC2=CC(OC)=C(OC)C3=C2C1CC1=C3C(O)=C(OC)C=C1,"InChI=1S/C21H23NO6/c1-25-14-6-5-11-9-13-16-12(7-8-22(13)21(24)28-4)10-15(26-2)20(27-3)18(16)17(11)19(14)23/h5-6,10,13,23H,7-9H2,1-4H3",JWSAYTXQWHOMHU,UHFFFAOYSA,N,Romucosine H,JWSAYTXQWHOMHU-UHFFFAOYSA-N
HMDB38227,130.099379692,C7H14O2,CC(C)OC(=O)C(C)C,"InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3",WVRPFQGZHKZCEB,UHFFFAOYSA,N,Isopropyl 2-methylpropanoate,WVRPFQGZHKZCEB-UHFFFAOYSA-N
HMDB38228,337.137281339,C13H23NO9,OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C13H23NO9/c15-3-5-6(16)7(17)8(18)12(22-5)23-10-4-1-2-13(21,14-4)11(20)9(10)19/h4-12,14-21H,1-3H2",IWKGAFMTKIYREN,UHFFFAOYSA,N,4-O-alpha-D-Galactopyranosylcalystegine B2,IWKGAFMTKIYREN-UHFFFAOYSA-N
HMDB38229,716.269358142,C37H40N4O11,CC1=C(C=C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(N1)C1C(C(O)=O)C(=O)C2=C1NC(CC1=C(CCOC(=O)CC(O)=O)C(C)=C(N1)C=O)=C2C,"InChI=1S/C37H40N4O11/c1-6-19-15(2)23(41-36(19)49)11-22-17(4)21(7-8-27(43)44)33(39-22)31-32(37(50)51)35(48)30-18(5)24(40-34(30)31)12-25-20(16(3)26(14-42)38-25)9-10-52-29(47)13-28(45)46/h6,14,23,31-32,38-40H,1,7-13H2,2-5H3,(H,41,49)(H,43,44)(H,45,46)(H,50,51)",GVQYIMKPSDOTAH,UHFFFAOYSA,N,Bn-NCC-1,GVQYIMKPSDOTAH-UHFFFAOYSA-N
HMDB38230,792.321787642,C40H48N4O13,CC1=C(C=C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(N1)C1C(C(O)=O)C(=O)C2=C1NC(CC1=C(CCOC3OC(CO)C(O)C(O)C3O)C(C)=C(N1)C=O)=C2C,"InChI=1S/C40H48N4O13/c1-6-19-15(2)23(44-38(19)53)11-22-17(4)21(7-8-28(47)48)32(42-22)30-31(39(54)55)35(50)29-18(5)24(43-33(29)30)12-25-20(16(3)26(13-45)41-25)9-10-56-40-37(52)36(51)34(49)27(14-46)57-40/h6,13,23,27,30-31,34,36-37,40-43,46,49,51-52H,1,7-12,14H2,2-5H3,(H,44,53)(H,47,48)(H,54,55)",KHUYAPOQDBVQNV,UHFFFAOYSA,N,Bn-NCC-2,KHUYAPOQDBVQNV-UHFFFAOYSA-N
HMDB38231,827.481976677,C46H69NO12,CC1CNC2(CC3OC4(CC(=C)C5OC(O)(CCC5C)C(O)C5CC6OC7(CCC8(CC=CC(O8)\C=C\CCC(O)=O)O7)C(C)CC6O5)CC(C)CC(O4)C3O2)C(C)C1,"InChI=1S/C46H69NO12/c1-26-19-35-40-37(24-44(57-40)30(5)18-27(2)25-47-44)55-43(22-26,54-35)23-29(4)39-28(3)13-15-45(51,58-39)41(50)36-21-34-33(52-36)20-31(6)46(56-34)17-16-42(59-46)14-9-11-32(53-42)10-7-8-12-38(48)49/h7,9-11,26-28,30-37,39-41,47,50-51H,4,8,12-25H2,1-3,5-6H3,(H,48,49)/b10-7+",XGHMSEQYABFWLF,JXMROGBWSA,N,Azaspiracid 3,XGHMSEQYABFWLF-JXMROGBWSA-N
HMDB38232,843.476891299,C46H69NO13,CC1CNC2(CC3OC4(CC(=C)C5OC(O)(CCC5C)C(O)C5CC6OC7(CCC8(CC=CC(O8)\C=C\C(O)CC(O)=O)O7)C(C)CC6O5)CC(C)CC(O4)C3O2)C(C)C1,"InChI=1S/C46H69NO13/c1-25-17-35-40-37(23-44(58-40)29(5)16-26(2)24-47-44)56-43(21-25,55-35)22-28(4)39-27(3)11-13-45(52,59-39)41(51)36-20-34-33(53-36)18-30(6)46(57-34)15-14-42(60-46)12-7-8-32(54-42)10-9-31(48)19-38(49)50/h7-10,25-27,29-37,39-41,47-48,51-52H,4,11-24H2,1-3,5-6H3,(H,49,50)/b10-9+",ZTTACMNCQPVUOH,MDZDMXLPSA,N,Azaspiracid 4,ZTTACMNCQPVUOH-MDZDMXLPSA-N
HMDB38233,843.476891299,C46H69NO13,CC1CNC2(CC3OC4(CC(=C)C5OC(O)(CC(O)C5C)C(O)C5CC6OC7(CCC8(CC=CC(O8)\C=C\CCC(O)=O)O7)C(C)CC6O5)CC(C)CC(O4)C3O2)C(C)C1,"InChI=1S/C46H69NO13/c1-25-17-35-40-37(23-44(58-40)28(4)16-26(2)24-47-44)56-43(20-25,55-35)21-27(3)39-30(6)32(48)22-45(52,59-39)41(51)36-19-34-33(53-36)18-29(5)46(57-34)15-14-42(60-46)13-9-11-31(54-42)10-7-8-12-38(49)50/h7,9-11,25-26,28-37,39-41,47-48,51-52H,3,8,12-24H2,1-2,4-6H3,(H,49,50)/b10-7+",LSYSMWZQLCJTKR,JXMROGBWSA,N,Azaspiracid 5,LSYSMWZQLCJTKR-JXMROGBWSA-N
HMDB38234,855.513276805,C48H73NO12,CC1CNC2(CC3OC4(CC(=C)C5OC(O)(C(O)C6CC7OC8(CCC9(CC(C)=CC(O9)\C=C\CCC(O)=O)O8)C(C)CC7O6)C(C)CC5C)CC(C)CC(O4)C3O2)C(C)C1,"InChI=1S/C48H73NO12/c1-26-16-34(11-9-10-12-40(50)51)55-44(21-26)13-14-47(61-44)32(7)19-35-36(58-47)20-38(54-35)43(52)48(53)33(8)18-29(4)41(60-48)30(5)23-45-22-27(2)17-37(56-45)42-39(57-45)24-46(59-42)31(6)15-28(3)25-49-46/h9,11,16,27-29,31-39,41-43,49,52-53H,5,10,12-15,17-25H2,1-4,6-8H3,(H,50,51)/b11-9+",FWMJPUBOGPIFOU,PKNBQFBNSA,N,Azaspiracid 2,FWMJPUBOGPIFOU-PKNBQFBNSA-N
HMDB38235,654.179599662,C29H34O17,COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C1=CC(OC)=C(O)C=C1,"InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3",WPIJGCCJUFCJAE,UHFFFAOYSA,N,Rhamnazin 3-sophoroside,WPIJGCCJUFCJAE-UHFFFAOYSA-N
HMDB38236,370.141638436,C21H22O6,COC1=CC=C(C=C1OC)C1OCC2C1COC2C1=CC=C2OCOC2=C1,"InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3",AWOGQCSIVCQXBT,UHFFFAOYSA,N,(+)-Fargesin,AWOGQCSIVCQXBT-UHFFFAOYSA-N
HMDB38237,186.161979948,C11H22O2,CCC(C)CCCCCCC(O)=O,"InChI=1S/C11H22O2/c1-3-10(2)8-6-4-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)",WGKCPRZDCLXOIQ,UHFFFAOYSA,N,xi-8-Methyldecanoic acid,WGKCPRZDCLXOIQ-UHFFFAOYSA-N
HMDB38238,484.230847372,C24H36O10,OC(=O)CCC1(CCC(O)=O)CCCCCCCCC(CCC(O)=O)(CCC(O)=O)C(=O)C1=O,"InChI=1S/C24H36O10/c25-17(26)7-13-23(14-8-18(27)28)11-5-3-1-2-4-6-12-24(15-9-19(29)30,16-10-20(31)32)22(34)21(23)33/h1-16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)",ZPAOCLAKRURAOZ,UHFFFAOYSA,N,Plantaricin BN,ZPAOCLAKRURAOZ-UHFFFAOYSA-N
HMDB38239,216.11100701,C9H16N2O4,CC(NC(=O)OC(C)(C)C)C(=O)C(N)=O,"InChI=1S/C9H16N2O4/c1-5(6(12)7(10)13)11-8(14)15-9(2,3)4/h5H,1-4H3,(H2,10,13)(H,11,14)",VMETVXNVLXCEFC,UHFFFAOYSA,N,Sakacin P,VMETVXNVLXCEFC-UHFFFAOYSA-N
HMDB38242,442.293053698,C24H42O7,CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O,"InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3",LITUBCVUXPBCGA,UHFFFAOYSA,N,Ascorbyl stearate,LITUBCVUXPBCGA-UHFFFAOYSA-N
HMDB38243,460.39164553,C30H52O3,CC12CCC(C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC21C)C1(C)CCCC(C)(C)O1,"InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3",PVLHOJXLNBFHDX,UHFFFAOYSA,N,Panaxadiol,PVLHOJXLNBFHDX-UHFFFAOYSA-N
HMDB38244,476.386560152,C30H52O4,CC12CCC(C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C)C1(C)CCCC(C)(C)O1,"InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3",QFJUYMMIBFBOJY,UHFFFAOYSA,N,Panaxatriol,QFJUYMMIBFBOJY-UHFFFAOYSA-N
HMDB38245,182.13067982,C11H18O2,CC1(C)C2CCC1(C)C(C2)OC=O,"InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3",RDWUNORUTVEHJF,UHFFFAOYSA,N,Bornyl formate,RDWUNORUTVEHJF-UHFFFAOYSA-N
HMDB38246,224.177630012,C14H24O2,CCCC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3",VIPNQHBVIDJXJE,UHFFFAOYSA,N,Bornyl butyrate,VIPNQHBVIDJXJE-UHFFFAOYSA-N
HMDB38247,238.193280076,C15H26O2,CCCCC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3",ILUAVCBOWYHFAI,UHFFFAOYSA,N,Bornyl valerate,ILUAVCBOWYHFAI-UHFFFAOYSA-N
HMDB38248,238.193280076,C15H26O2,CC(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12+,15+/m0/s1",MPYYVGIJHREDBO,YWPYICTPSA,N,Bornyl isovalerate,MPYYVGIJHREDBO-YWPYICTPSA-N
HMDB38249,210.161979948,C13H22O2,CCC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3",FAFMZORPAAGQFV,UHFFFAOYSA,N,Isobornyl propionate,FAFMZORPAAGQFV-UHFFFAOYSA-N
HMDB38250,238.193280076,C15H26O2,CC(C)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12-,15+/m0/s1",MPYYVGIJHREDBO,SLEUVZQESA,N,Isobornyl isovalerate,MPYYVGIJHREDBO-SLEUVZQESA-N
HMDB38251,152.120115134,C10H16O,CC1=CCC2CC1OC2(C)C,"InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3",SKBXVAOMEVOTGJ,UHFFFAOYSA,N,xi-Pinol,SKBXVAOMEVOTGJ-UHFFFAOYSA-N
HMDB38252,770.205814412,C37H38O18,COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C37H38O18/c1-15-27(43)31(47)35(55-36-32(48)30(46)28(44)24(53-36)14-50-25(42)10-5-16-3-7-18(38)8-4-16)37(51-15)54-34-29(45)26-21(41)12-19(39)13-23(26)52-33(34)17-6-9-20(40)22(11-17)49-2/h3-13,15,24,27-28,30-32,35-41,43-44,46-48H,14H2,1-2H3/b10-5+",NACZCQPMPCWDEE,BJMVGYQFSA,N,Isorhamnetin 3-O-[4-Hydroxy-E-cinnamoyl-(->6)-b-D-glucopyranosyl-(1->2)-a-L-rhamnopyranoside],NACZCQPMPCWDEE-BJMVGYQFSA-N
HMDB38253,756.21129372,C33H40O20,COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C33H40O20/c1-10-20(38)24(42)27(45)31(49-10)48-9-18-22(40)25(43)30(53-32-26(44)21(39)15(37)8-47-32)33(51-18)52-29-23(41)19-14(36)6-12(34)7-17(19)50-28(29)11-3-4-13(35)16(5-11)46-2/h3-7,10,15,18,20-22,24-27,30-40,42-45H,8-9H2,1-2H3",LYHLDPZVLVMMLI,UHFFFAOYSA,N,Isorhamnetin 3-O-[b-D-xylopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside],LYHLDPZVLVMMLI-UHFFFAOYSA-N
HMDB38254,786.221858406,C34H42O21,COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(50-10)49-9-18-22(41)26(45)31(55-33-28(47)25(44)21(40)17(8-35)52-33)34(53-18)54-30-23(42)19-14(38)6-12(36)7-16(19)51-29(30)11-3-4-13(37)15(5-11)48-2/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3",IPNYNJAPZARORI,UHFFFAOYSA,N,Isorhamnetin 3-O-[b-D-glucopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside],IPNYNJAPZARORI-UHFFFAOYSA-N
HMDB38255,252.20893014,C16H28O2,CCC(CC)C(=O)OC\C=C(\C)CCC=C(C)C,"InChI=1S/C16H28O2/c1-6-15(7-2)16(17)18-12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3/b14-11-",PFVYLGTZGQUUOT,KAMYIIQDSA,N,Geranyl 2-ethylbutyrate,PFVYLGTZGQUUOT-KAMYIIQDSA-N
HMDB38256,238.15689457,C14H22O3,CC(=O)CC(=O)OC\C=C(\C)CCC=C(C)C,"InChI=1S/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8-",RYILZWKGLGVPOC,WQLSENKSSA,N,Geranyl acetoacetate,RYILZWKGLGVPOC-WQLSENKSSA-N
HMDB38257,272.177630012,C18H24O2,CC(C)=CCC\C(C)=C/COC(=O)CC1=CC=CC=C1,"InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12-",UXAIJXIHZDZMSK,VBKFSLOCSA,N,Geranyl phenylacetate,UXAIJXIHZDZMSK-VBKFSLOCSA-N
HMDB38258,210.161979948,C13H22O2,CCC(=O)OC\C=C(\C)CCC=C(C)C,"InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9-",BYCHQEILESTMQU,XFXZXTDPSA,N,Neryl propionate,BYCHQEILESTMQU-XFXZXTDPSA-N
HMDB38259,224.177630012,C14H24O2,CCCC(=O)OC\C=C(\C)CCC=C(C)C,"InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10-",ZSBOMYJPSRFZAL,RAXLEYEMSA,N,Neryl butyrate,ZSBOMYJPSRFZAL-RAXLEYEMSA-N
HMDB38260,224.177630012,C14H24O2,CC(C)C(=O)OC\C=C(\C)CCC=C(C)C,"InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9-",OGJYXQFXLSCKTP,LCYFTJDESA,N,Geranyl 2-methylpropanoate,OGJYXQFXLSCKTP-LCYFTJDESA-N
HMDB38261,580.215591238,C28H36O13,COC1=CC(=CC(OC)=C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3",WEKCEGQSIIQPAQ,UHFFFAOYSA,N,(+)-7-epi-Syringaresinol 4'-glucoside,WEKCEGQSIIQPAQ-UHFFFAOYSA-N
HMDB38262,522.100955412,C23H22O14,COC1=C(O)C=CC(=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O)C(O)=C(OC)C=C2O1,"InChI=1S/C23H22O14/c1-33-9-5-7(3-4-8(9)24)19-20(36-23-18(30)16(28)17(29)21(37-23)22(31)32)15(27)12-10(35-19)6-11(34-2)13(25)14(12)26/h3-6,16-18,21,23-26,28-30H,1-2H3,(H,31,32)",VEAQUGWEICGLMM,UHFFFAOYSA,N,"3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide",VEAQUGWEICGLMM-UHFFFAOYSA-N
HMDB38263,522.100955412,C23H22O14,COC1=C(O)C=C(C=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O)C(O)=C(OC)C=C2O1,"InChI=1S/C23H22O14/c1-33-9-4-3-7(5-8(9)24)19-20(36-23-18(30)16(28)17(29)21(37-23)22(31)32)15(27)12-10(35-19)6-11(34-2)13(25)14(12)26/h3-6,16-18,21,23-26,28-30H,1-2H3,(H,31,32)",TTZIHUKKIDPTQT,UHFFFAOYSA,N,"3,3',5,6-Tetrahydroxy-4',7-dimethoxyflavone 3-glucuronide",TTZIHUKKIDPTQT-UHFFFAOYSA-N
HMDB38264,536.116605476,C24H24O14,COC1=C(OC)C=C(C=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O)C(O)=C(OC)C=C2O1,"InChI=1S/C24H24O14/c1-33-9-5-4-8(6-10(9)34-2)20-21(37-24-19(30)17(28)18(29)22(38-24)23(31)32)16(27)13-11(36-20)7-12(35-3)14(25)15(13)26/h4-7,17-19,22,24-26,28-30H,1-3H3,(H,31,32)",LURNGPWLQCDCBE,UHFFFAOYSA,N,"3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide",LURNGPWLQCDCBE-UHFFFAOYSA-N
HMDB38265,520.085305348,C23H20O14,COC1=C(O)C=C(C=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O)C3=C(OCO3)C=C2O1,"InChI=1S/C23H20O14/c1-32-9-3-2-7(4-8(9)24)18-20(36-23-17(29)15(27)16(28)21(37-23)22(30)31)14(26)12-10(35-18)5-11-19(13(12)25)34-6-33-11/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)",ZPQIJJKOFIOFNV,UHFFFAOYSA,N,"3,3',5-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone 3-glucuronide",ZPQIJJKOFIOFNV-UHFFFAOYSA-N
HMDB38266,534.100955412,C24H22O14,COC1=C(OC)C=C(C=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O)C3=C(OCO3)C=C2O1,"InChI=1S/C24H22O14/c1-32-9-4-3-8(5-10(9)33-2)19-21(37-24-18(29)16(27)17(28)22(38-24)23(30)31)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31)",MRRDNEKQNDQHAF,UHFFFAOYSA,N,"3,5-Dihydroxy-3',4'-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide",MRRDNEKQNDQHAF-UHFFFAOYSA-N
HMDB38267,186.161979948,C11H22O2,CCOC(CC\C=C/CC)OCC,"InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7-",BOALWZNGHWYCRG,FPLPWBNLSA,N,"7,7-Diethoxy-3-heptene",BOALWZNGHWYCRG-FPLPWBNLSA-N
HMDB38268,154.099379692,C9H14O2,CCC\C=C\C(=O)OCC=C,"InChI=1S/C9H14O2/c1-3-5-6-7-9(10)11-8-4-2/h4,6-7H,2-3,5,8H2,1H3/b7-6+",VOLVXFXDLNXTMV,VOTSOKGWSA,N,Allyl hexenoate,VOLVXFXDLNXTMV-VOTSOKGWSA-N
HMDB38269,198.161979948,C12H22O2,CCCCCCOC(=O)\C=C\CCC,"InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h8,10H,3-7,9,11H2,1-2H3/b10-8+",NGQTTWDHJIMWOI,CSKARUKUSA,N,Hexyl 2E-hexenoate,NGQTTWDHJIMWOI-CSKARUKUSA-N
HMDB38270,196.146329884,C12H20O2,CC\C=C/CCOC(=O)C\C=C/CC,"InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6-",UZJQQWFHPLYECS,SFECMWDFSA,N,cis-3-Hexenyl cis-3-hexenoate,UZJQQWFHPLYECS-SFECMWDFSA-N
HMDB38271,128.083729628,C7H12O2,CCC\C=C\COC=O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+",SLWYMCAVYPZTRN,SNAWJCMRSA,N,2-Hexenyl formate,SLWYMCAVYPZTRN-SNAWJCMRSA-N
HMDB38272,156.115029756,C9H16O2,CCC\C=C\COC(=O)CC,"InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+",LPWKTEHEFDVAQS,VOTSOKGWSA,N,2-Hexenyl propionate,LPWKTEHEFDVAQS-VOTSOKGWSA-N
HMDB38273,184.146329884,C11H20O2,CCCCC(=O)OC\C=C\CCC,"InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+",WDXAMNXWZLXISB,BQYQJAHWSA,N,2-Hexenyl valerate,WDXAMNXWZLXISB-BQYQJAHWSA-N
HMDB38274,184.146329884,C11H20O2,CCC\C=C\COC(=O)CC(C)C,"InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+",SAVRWHQEMHIAEB,VOTSOKGWSA,N,2-Hexenyl isovalerate,SAVRWHQEMHIAEB-VOTSOKGWSA-N
HMDB38275,156.115029756,C9H16O2,CC\C=C/CCOC(=O)CC,"InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-",LGTLDEUQCOJGFP,WAYWQWQTSA,N,cis-3-Hexenyl propanoate,LGTLDEUQCOJGFP-WAYWQWQTSA-N
HMDB38276,170.094294314,C9H14O3,CC\C=C/CCOC(=O)C(C)=O,"InChI=1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4-",LKNXTZXOBHAYSR,PLNGDYQASA,N,cis-3-Hexenyl pyruvate,LKNXTZXOBHAYSR-PLNGDYQASA-N
HMDB38277,184.146329884,C11H20O2,CC\C=C/CCOC(=O)C(C)CC,"InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-",JKKGTSUICJWEKB,SREVYHEPSA,N,cis-3-Hexenyl 2-methylbutanoate,JKKGTSUICJWEKB-SREVYHEPSA-N
HMDB38278,184.146329884,C11H20O2,CC\C=C/CCOC(=O)CC(C)C,"InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-",AIQLNKITFBJPFO,WAYWQWQTSA,N,cis-3-Hexenyl 3-methylbutanoate,AIQLNKITFBJPFO-WAYWQWQTSA-N
HMDB38279,182.13067982,C11H18O2,CC\C=C/CCOC(=O)C(\C)=C\C,"InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+",JNWQKXUWZWKUAY,JQEGGOPCSA,N,cis-3-Hexenyl tiglate,JNWQKXUWZWKUAY-JQEGGOPCSA-N
HMDB38280,196.146329884,C12H20O2,CCC\C=C\C(=O)OCC\C=C/CC,"InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7-8,10H,3-4,6,9,11H2,1-2H3/b7-5-,10-8+",WAZKUHYKUCORDK,SUTBWYPISA,N,cis-3-Hexenyl trans-2-hexenoate,WAZKUHYKUCORDK-SUTBWYPISA-N
HMDB38281,218.13067982,C14H18O2,CC\C=C/CCOC(=O)CC1=CC=CC=C1,"InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-",FJKFIIYSBXHBCT,ARJAWSKDSA,N,cis-3-Hexenyl phenylacetate,FJKFIIYSBXHBCT-ARJAWSKDSA-N
HMDB38282,366.167853186,C19H26O7,CC(C)=CCC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C(C)=O,"InChI=1S/C19H26O7/c1-10(2)4-5-13-8-12(11(3)21)6-7-14(13)25-19-18(24)17(23)16(22)15(9-20)26-19/h4,6-8,15-20,22-24H,5,9H2,1-3H3",GVWZZKUSNVNWGC,UHFFFAOYSA,N,4-Acetyl-2-prenylphenol glucoside,GVWZZKUSNVNWGC-UHFFFAOYSA-N
HMDB38283,324.040065855,C15H13ClO6,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C(Cl)=C2O,"InChI=1S/C15H13ClO6/c16-13-10(19)5-12-7(14(13)21)4-11(20)15(22-12)6-1-2-8(17)9(18)3-6/h1-3,5,11,15,17-21H,4H2",BHTBHJNGFQRAJI,UHFFFAOYSA,N,6-Chlorocatechin,BHTBHJNGFQRAJI-UHFFFAOYSA-N
HMDB38284,451.251129305,C31H33NO2,C(CN1CCCC1)OC1=CC=C(C=C1)C1=C(OC2=C1C=C1CCCCCC1=C2)C1=CC=CC=C1,"InChI=1S/C31H33NO2/c1-3-9-24(10-4-1)31-30(28-21-25-11-5-2-6-12-26(25)22-29(28)34-31)23-13-15-27(16-14-23)33-20-19-32-17-7-8-18-32/h1,3-4,9-10,13-16,21-22H,2,5-8,11-12,17-20H2",LSRSTEGFQPNESQ,UHFFFAOYSA,N,Enterocin 900,LSRSTEGFQPNESQ-UHFFFAOYSA-N
HMDB38285,580.187118339,C30H33Cl2F3N2O2,Cl.CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC(=C(Cl)C=C1)C(F)(F)F)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C30H32ClF3N2O2.ClH/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34;/h3-14,21,38H,15-20H2,1-2H3;1H",GEWHMNRKXIVZJF,UHFFFAOYSA,N,Enterocin L50,GEWHMNRKXIVZJF-UHFFFAOYSA-N
HMDB38286,658.116999406,C30H26O17,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1OC(C)=O,"InChI=1S/C30H26O17/c1-9-25(44-10(2)31)24(41)28(46-29(42)12-5-17(36)22(39)18(37)6-12)30(43-9)47-27-23(40)20-14(33)7-13(32)8-19(20)45-26(27)11-3-15(34)21(38)16(35)4-11/h3-9,24-25,28,30,32-39,41H,1-2H3",PYGGSPJDJQBCNV,UHFFFAOYSA,N,Eujambin,PYGGSPJDJQBCNV-UHFFFAOYSA-N
HMDB38287,626.148299534,C27H30O17,CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C27H30O17/c1-7-16(33)20(37)22(39)26(40-7)44-25-21(38)18(35)14(6-28)42-27(25)43-24-19(36)15-10(30)4-9(29)5-13(15)41-23(24)8-2-11(31)17(34)12(32)3-8/h2-5,7,14,16,18,20-22,25-35,37-39H,6H2,1H3",LUITYVJNCILVDI,UHFFFAOYSA,N,Myricetin 3-neohesperidoside,LUITYVJNCILVDI-UHFFFAOYSA-N
HMDB38288,125.084063979,C7H11NO,CCCCC1=COC=N1,"InChI=1S/C7H11NO/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3",NREHHAUYDCWOQF,UHFFFAOYSA,N,4-Butyloxazole,NREHHAUYDCWOQF-UHFFFAOYSA-N
HMDB38289,125.084063979,C7H11NO,CCCCC1=CN=CO1,"InChI=1S/C7H11NO/c1-2-3-4-7-5-8-6-9-7/h5-6H,2-4H2,1H3",HVDQDMRCRULNJN,UHFFFAOYSA,N,5-Butyloxazole,HVDQDMRCRULNJN-UHFFFAOYSA-N
HMDB38290,152.120115134,C10H16O,CC1CCC(C1C=O)C(C)=C,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(9)6-11/h6,8-10H,1,4-5H2,2-3H3",JCDLXWAYWSJVTP,UHFFFAOYSA,N,Photocitral A,JCDLXWAYWSJVTP-UHFFFAOYSA-N
HMDB38291,210.161979948,C13H22O2,C=CCOC(=O)CCCC1CCCCC1,"InChI=1S/C13H22O2/c1-2-11-15-13(14)10-6-9-12-7-4-3-5-8-12/h2,12H,1,3-11H2",SIIAEMSHVLJRHI,UHFFFAOYSA,N,2-Propenyl cyclohexanebutanoate,SIIAEMSHVLJRHI-UHFFFAOYSA-N
HMDB38292,194.13067982,C12H18O2,CC(=C)C1CCC(=C)C(C1)OC(C)=O,"InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11-12H,1,3,5-7H2,2,4H3",CCLNPVCMIJDJLR,UHFFFAOYSA,N,Menthadienyl acetate,CCLNPVCMIJDJLR-UHFFFAOYSA-N
HMDB38293,432.10564686,C21H20O10,OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O,"InChI=1S/C21H20O10/c22-6-8-4-10-15(18(27)14-9(16(10)25)2-1-3-11(14)24)12(5-8)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2",SJFGNHVZJUSQBX,UHFFFAOYSA,N,1-O-beta-D-Glucopyranosylaloeemodin,SJFGNHVZJUSQBX-UHFFFAOYSA-N
HMDB38294,798.149087394,C33H34O23,OC1C(O)C(OC2C(O)C(O)C(OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2)C(O)=O)OC(C1O)C(O)=O,"InChI=1S/C33H34O23/c34-11-5-10(51-33-27(21(41)20(40)26(55-33)30(48)49)56-32-23(43)17(37)19(39)25(54-32)29(46)47)6-14-15(11)12(35)7-13(52-14)8-1-3-9(4-2-8)50-31-22(42)16(36)18(38)24(53-31)28(44)45/h1-7,16-27,31-34,36-43H,(H,44,45)(H,46,47)(H,48,49)",ZXGPWPMIUHWEOJ,UHFFFAOYSA,N,Apigenin 7-[glucuronyl-(1->2)-glucuronide] 4'-glucuronide,ZXGPWPMIUHWEOJ-UHFFFAOYSA-N
HMDB38295,798.164343528,C37H34O20,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC=C(C=C4)C4=CC(=O)C5=C(O)C=C(O)C=C5O4)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=C1,"InChI=1S/C37H34O20/c1-51-22-10-14(2-8-18(22)39)3-9-24(42)54-32-28(45)26(43)31(35(49)50)56-37(32)57-33-29(46)27(44)30(34(47)48)55-36(33)52-17-6-4-15(5-7-17)21-13-20(41)25-19(40)11-16(38)12-23(25)53-21/h2-13,26-33,36-40,43-46H,1H3,(H,47,48)(H,49,50)/b9-3+",LNCLTICCQWMCNS,YCRREMRBSA,N,Apigenin 4'-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide],LNCLTICCQWMCNS-YCRREMRBSA-N
HMDB38296,944.18586683,C42H40O25,OC1C(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(OC3OC(C(O)C(O)C3OC3OC(C(O)C(O)C3OC(=O)\C=C\C3=CC=C(O)C=C3)C(O)=O)C(O)=O)C=C2)OC(C(O)C1O)C(O)=O,"InChI=1S/C42H40O25/c43-16-6-1-14(2-7-16)3-10-23(46)63-35-29(51)27(49)34(39(58)59)66-42(35)67-36-30(52)28(50)33(38(56)57)65-41(36)60-17-8-4-15(5-9-17)21-13-20(45)24-19(44)11-18(12-22(24)62-21)61-40-31(53)25(47)26(48)32(64-40)37(54)55/h1-13,25-36,40-44,47-53H,(H,54,55)(H,56,57)(H,58,59)/b10-3+",KZBJNNPIVYBZOA,XCVCLJGOSA,N,Apigenin 4'-[p-coumaroyl-(->2)-glucuronyl-(1->2)-glucuronide] 7-glucuronide,KZBJNNPIVYBZOA-XCVCLJGOSA-N
HMDB38297,944.18586683,C42H40O25,OC1C(OC2C(O)C(OC(OC3C(OC4=CC(O)=C5C(=O)C=C(OC5=C4)C4=CC=C(O)C=C4)OC(C(O)C3O)C(O)=O)C2OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)=O)OC(C(O)C1O)C(O)=O,"InChI=1S/C42H40O25/c43-16-6-1-14(2-7-16)3-10-23(47)62-36-31(63-40-29(52)25(48)26(49)32(64-40)37(54)55)30(53)34(39(58)59)66-42(36)67-35-28(51)27(50)33(38(56)57)65-41(35)60-18-11-19(45)24-20(46)13-21(61-22(24)12-18)15-4-8-17(44)9-5-15/h1-13,25-36,40-45,48-53H,(H,54,55)(H,56,57)(H,58,59)/b10-3+",XBLARMNPRFOJOC,XCVCLJGOSA,N,Apigenin 7-[p-coumaroyl-(->2)-[glucuronyl-(1->3)]-glucuronyl-(1->2)-glucuronide],XBLARMNPRFOJOC-XCVCLJGOSA-N
HMDB38298,974.196431516,C43H42O26,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC=C(C=C4)C4=CC(=O)C5=C(O)C=C(OC6OC(C(O)C(O)C6O)C(O)=O)C=C5O4)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=C1,"InChI=1S/C43H42O26/c1-61-22-10-14(2-8-18(22)44)3-9-24(47)65-36-30(52)28(50)35(40(59)60)68-43(36)69-37-31(53)29(51)34(39(57)58)67-42(37)62-16-6-4-15(5-7-16)21-13-20(46)25-19(45)11-17(12-23(25)64-21)63-41-32(54)26(48)27(49)33(66-41)38(55)56/h2-13,26-37,41-45,48-54H,1H3,(H,55,56)(H,57,58)(H,59,60)/b9-3+",JLNNCTXIJCCWSU,YCRREMRBSA,N,Apigenin 4'-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 7-glucuronide,JLNNCTXIJCCWSU-YCRREMRBSA-N
HMDB38299,148.055800318,C6H12O2S,CCCC(=O)OCSC,"InChI=1S/C6H12O2S/c1-3-4-6(7)8-5-9-2/h3-5H2,1-2H3",PGAUNUCMBMQPFT,UHFFFAOYSA,N,Methylthiomethyl butyrate,PGAUNUCMBMQPFT-UHFFFAOYSA-N
HMDB38300,176.087100446,C8H16O2S,CCCCCC(=O)OCSC,"InChI=1S/C8H16O2S/c1-3-4-5-6-8(9)10-7-11-2/h3-7H2,1-2H3",NWSZEYNCLKNLMJ,UHFFFAOYSA,N,Methylthiomethyl hexanoate,NWSZEYNCLKNLMJ-UHFFFAOYSA-N
HMDB38301,974.196431516,C43H42O26,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC(O)=C5C(=O)C=C(OC5=C4)C4=CC=C(OC5OC(C(O)C(O)C5O)C(O)=O)C=C4)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=C1,"InChI=1S/C43H42O26/c1-61-22-10-14(2-8-18(22)44)3-9-24(47)65-36-30(52)28(50)35(40(59)60)68-43(36)69-37-31(53)29(51)34(39(57)58)67-42(37)63-17-11-19(45)25-20(46)13-21(64-23(25)12-17)15-4-6-16(7-5-15)62-41-32(54)26(48)27(49)33(66-41)38(55)56/h2-13,26-37,41-45,48-54H,1H3,(H,55,56)(H,57,58)(H,59,60)/b9-3+",CZVPDCXYEOPQOQ,YCRREMRBSA,N,Apigenin 7-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 4'-glucuronide,CZVPDCXYEOPQOQ-YCRREMRBSA-N
HMDB38302,974.196431516,C43H42O26,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC(O)=C5C(=O)C=C(OC5=C4)C4=CC=C(O)C=C4)OC(C(O)C3O)C(O)=O)OC(C(O)C2OC2OC(C(O)C(O)C2O)C(O)=O)C(O)=O)=C1,"InChI=1S/C43H42O26/c1-61-22-10-14(2-8-18(22)45)3-9-24(48)64-37-32(65-41-30(53)26(49)27(50)33(66-41)38(55)56)31(54)35(40(59)60)68-43(37)69-36-29(52)28(51)34(39(57)58)67-42(36)62-17-11-19(46)25-20(47)13-21(63-23(25)12-17)15-4-6-16(44)7-5-15/h2-13,26-37,41-46,49-54H,1H3,(H,55,56)(H,57,58)(H,59,60)/b9-3+",MMJTVJHRGLZENF,YCRREMRBSA,N,Apigenin 7-[feruloyl-(->2)-[glucuronyl-(1->3)]-glucuronyl-(1->2)-glucuronide],MMJTVJHRGLZENF-YCRREMRBSA-N
HMDB38303,640.163949598,C28H32O17,COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C28H32O17/c1-40-10-5-13(33)17-14(6-10)41-24(9-2-3-11(31)12(32)4-9)25(20(17)36)44-28-26(22(38)19(35)16(8-30)43-28)45-27-23(39)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,26-35,37-39H,7-8H2,1H3",CEZKIFXYWPTANH,UHFFFAOYSA,N,Rhamnetin 3-sophoroside,CEZKIFXYWPTANH-UHFFFAOYSA-N
HMDB38304,330.13146768,C15H22O8,OCCCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1,"InChI=1S/C15H22O8/c16-5-1-2-8-3-4-9(18)10(6-8)22-15-14(21)13(20)12(19)11(7-17)23-15/h3-4,6,11-21H,1-2,5,7H2",HGKIWLYFVQJOOO,UHFFFAOYSA,N,"3-(3,4-Dihydroxyphenyl)-1-propanol 3'-glucoside",HGKIWLYFVQJOOO-UHFFFAOYSA-N
HMDB38305,158.094294314,C8H14O3,CC(C)CCOC(=O)C(C)=O,"InChI=1S/C8H14O3/c1-6(2)4-5-11-8(10)7(3)9/h6H,4-5H2,1-3H3",LBKWGGFVEDOVEP,UHFFFAOYSA,N,3-Methylbutyl 2-oxopropanoate,LBKWGGFVEDOVEP-UHFFFAOYSA-N
HMDB38306,388.209718,C19H32O8,CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+",RIUMIKAUMHZQMP,AATRIKPKSA,N,"5a,6a-Epoxy-7E-megastigmene-3b,9e-diol 9-glucoside",RIUMIKAUMHZQMP-AATRIKPKSA-N
HMDB38307,450.4436811,C30H58O2,CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12H,3-9,11,13-29H2,1-2H3/b12-10-",DYIOQMKBBPSAFY,BENRWUELSA,N,Cetyl myristoleate,DYIOQMKBBPSAFY-BENRWUELSA-N
HMDB38308,394.453851856,C28H58,CCCCCCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C28H58/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(3)5-2/h28H,4-27H2,1-3H3",NTRHFQVDDLHZMZ,UHFFFAOYSA,N,xi-3-Methylheptacosane,NTRHFQVDDLHZMZ-UHFFFAOYSA-N
HMDB38309,366.422551728,C26H54,CCCCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C26H54/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(3)5-2/h26H,4-25H2,1-3H3",VNSJCJLDAGMPAO,UHFFFAOYSA,N,xi-3-Methylpentacosane,VNSJCJLDAGMPAO-UHFFFAOYSA-N
HMDB38310,142.099379692,C8H14O2,CCCC1CCCC(=O)O1,"InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3",FYTRVXSHONWYNE,UHFFFAOYSA,N,xi-Tetrahydro-6-propyl-2H-pyran-2-one,FYTRVXSHONWYNE-UHFFFAOYSA-N
HMDB38311,184.146329884,C11H20O2,CCCCCCCC1CCC(=O)O1,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3",PHXATPHONSXBIL,UHFFFAOYSA,N,xi-gamma-Undecalactone,PHXATPHONSXBIL-UHFFFAOYSA-N
HMDB38312,1064.540338994,C51H84O23,CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C51H84O23/c1-20(19-66-45-40(62)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-47-42(64)39(61)43(31(18-54)71-47)72-48-44(38(60)35(57)30(17-53)70-48)73-46-41(63)36(58)33(55)22(3)67-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3",YGVBGPSWCYFEAW,UHFFFAOYSA,N,Balanitoside,YGVBGPSWCYFEAW-UHFFFAOYSA-N
HMDB38313,1226.593162424,C57H94O28,CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C57H94O28/c1-21(20-75-50-42(69)40(67)36(63)30(16-58)78-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)77-54-49(84-51-43(70)39(66)35(62)23(3)76-51)45(72)47(33(19-61)81-54)82-53-46(73)48(38(65)32(18-60)80-53)83-52-44(71)41(68)37(64)31(17-59)79-52/h6,21-23,25-54,58-74H,7-20H2,1-5H3",GJVYYBVWPSQRTC,UHFFFAOYSA,N,Trigoneoside XIIIa,GJVYYBVWPSQRTC-UHFFFAOYSA-N
HMDB38314,346.141638436,C19H22O6,CC12CC=CC3(OC1=O)C1CC(O)C4(O)CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)11(20)6-10(17)19-5-3-4-16(2,15(23)25-19)13(19)12(17)14(21)22/h3,5,10-13,20,24H,1,4,6-8H2,2H3,(H,21,22)",KGTGZKSZLCTQNX,UHFFFAOYSA,N,Gibberellin GA126,KGTGZKSZLCTQNX-UHFFFAOYSA-N
HMDB38315,918.461300814,C48H70O17,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1(C)O)C(=O)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C48H70O17/c1-22-10-15-48(42(59)65-41-37(57)35(55)34(54)28(63-41)21-61-39(58)23-18-25(49)32(52)26(50)19-23)17-16-45(5)24(38(48)47(22,7)60)8-9-30-44(4)13-12-31(43(2,3)29(44)11-14-46(30,45)6)64-40-36(56)33(53)27(51)20-62-40/h8,18-19,22,27-31,33-38,40-41,49-57,60H,9-17,20-21H2,1-7H3",MBFMXPAPAAZQQU,UHFFFAOYSA,N,28-Galloylglucosylpomolate 3-arabinoside,MBFMXPAPAAZQQU-UHFFFAOYSA-N
HMDB38316,1028.519209622,C51H80O21,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC(=O)CC(O)=O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C51H80O21/c1-22-32(57)34(59)38(63)43(66-22)71-40-35(60)33(58)25(20-52)67-44(40)72-41-37(62)36(61)39(42(64)65)70-45(41)69-28-12-13-48(5)26(49(28,6)21-53)11-14-51(8)27(48)10-9-23-24-18-46(2,3)19-29(68-31(56)17-30(54)55)47(24,4)15-16-50(23,51)7/h9,22,24-29,32-41,43-45,52-53,57-63H,10-21H2,1-8H3,(H,54,55)(H,64,65)",UZZVCPOZXWRBFO,UHFFFAOYSA,N,Pisumsaponin I,UZZVCPOZXWRBFO-UHFFFAOYSA-N
HMDB38317,940.503165628,C48H76O18,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)C=O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,20-21,23-38,40-42,49,51-58H,10-19H2,1-8H3,(H,59,60)",FZHTWPLZNXRSGR,UHFFFAOYSA,N,Pisumsaponin II,FZHTWPLZNXRSGR-UHFFFAOYSA-N
HMDB38318,165.042593095,C8H7NO3,OC1OC2=CC=CC=C2NC1=O,"InChI=1S/C8H7NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10)",VMQBFYRBJKDACN,UHFFFAOYSA,N,"(R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one",VMQBFYRBJKDACN-UHFFFAOYSA-N
HMDB38319,256.128388408,C9H16N6O3,OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12,"InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)",VRRIYZJUSNMZMP,UHFFFAOYSA,N,Decarbamoylsaxitoxin,VRRIYZJUSNMZMP-UHFFFAOYSA-N
HMDB38321,169.110278729,C9H15NO2,CCOC(=O)C1=CCCN(C)C1,"InChI=1S/C9H15NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h5H,3-4,6-7H2,1-2H3",UNARQANIGOBIHM,UHFFFAOYSA,N,Homoarecoline,UNARQANIGOBIHM-UHFFFAOYSA-N
HMDB38322,304.073558872,C19H12O4,OC1=CC2=C(C=CC3=C2C(=CC=C3)C1=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C19H12O4/c20-15-7-5-11(8-16(15)21)12-6-4-10-2-1-3-13-18(10)14(12)9-17(22)19(13)23/h1-9,20-22H",ZNAZPYKRTNDUEJ,UHFFFAOYSA,N,"4-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one",ZNAZPYKRTNDUEJ-UHFFFAOYSA-N
HMDB38323,316.13107375,C18H20O5,COC1=CC=C(C=C1)C(OC(=O)C1=CC=C(OC)C=C1)C(C)O,"InChI=1S/C18H20O5/c1-12(19)17(13-4-8-15(21-2)9-5-13)23-18(20)14-6-10-16(22-3)11-7-14/h4-12,17,19H,1-3H3",PCUOEOPTDCUNQQ,UHFFFAOYSA,N,Verimol B,PCUOEOPTDCUNQQ-UHFFFAOYSA-N
HMDB38324,316.13107375,C18H20O5,COC1=CC=C(C=C1)C(O)C(C)OC(=O)C1=CC=C(OC)C=C1,"InChI=1S/C18H20O5/c1-12(17(19)13-4-8-15(21-2)9-5-13)23-18(20)14-6-10-16(22-3)11-7-14/h4-12,17,19H,1-3H3",MHJLKHNHGMUAPQ,UHFFFAOYSA,N,Verimol A,MHJLKHNHGMUAPQ-UHFFFAOYSA-N
HMDB38325,300.136159128,C18H20O4,COC1=CC=C(C=C1)C1OC(C)C(O1)C1=CC=C(OC)C=C1,"InChI=1S/C18H20O4/c1-12-17(13-4-8-15(19-2)9-5-13)22-18(21-12)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3",LYZZEJQTEOAYRE,UHFFFAOYSA,N,Verimol C,LYZZEJQTEOAYRE-UHFFFAOYSA-N
HMDB38326,248.141244506,C15H20O3,CC1C2CC(O)C(=C)C3CCC(=C)C3C2OC1=O,"InChI=1S/C15H20O3/c1-7-4-5-10-8(2)12(16)6-11-9(3)15(17)18-14(11)13(7)10/h9-14,16H,1-2,4-6H2,3H3",NMUKFBVCUMTQOB,UHFFFAOYSA,N,Annuolide E,NMUKFBVCUMTQOB-UHFFFAOYSA-N
HMDB38327,506.272712186,C24H42O11,CC(CCC1=C(C)CC(O)CC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C24H42O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h13-14,16-22,25-31H,5-11H2,1-4H3",KXAHRTBPIZOXEC,UHFFFAOYSA,N,"(3b,9R)-5-Megastigmene-3,9-diol 9-[apiosyl-(1->6)-glucoside]",KXAHRTBPIZOXEC-UHFFFAOYSA-N
HMDB38328,380.147117744,C19H24O8,CC(=O)C1=CC2=C(OC(C2)C(=C)COC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C19H24O8/c1-9(8-25-19-18(24)17(23)16(22)15(7-20)27-19)14-6-12-5-11(10(2)21)3-4-13(12)26-14/h3-5,14-20,22-24H,1,6-8H2,2H3",TTWVIHLNMJFBMC,UHFFFAOYSA,N,(S)-Bitalin A 12-glucoside,TTWVIHLNMJFBMC-UHFFFAOYSA-N
HMDB38329,509.174454705,C20H31NO14,OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)\C(=C\C#N)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C20H31NO14/c21-2-1-6-7(32-19-17(30)15(28)13(26)9(4-22)34-19)3-8(12(25)11(6)24)33-20-18(31)16(29)14(27)10(5-23)35-20/h1,7-20,22-31H,3-5H2/b6-1-",XJQKQFRVSPIUIR,BHQIHCQQSA,N,Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,XJQKQFRVSPIUIR-BHQIHCQQSA-N
HMDB38330,406.126382302,C20H22O9,OCC1OC(OC2=CC=CC(O)=C2C(=O)OCC2=CC=CC=C2)C(O)C(O)C1O,"InChI=1S/C20H22O9/c21-9-14-16(23)17(24)18(25)20(29-14)28-13-8-4-7-12(22)15(13)19(26)27-10-11-5-2-1-3-6-11/h1-8,14,16-18,20-25H,9-10H2",GTFARABJCNHOHO,UHFFFAOYSA,N,"Benzyl 2,6-dihydroxybenzoate 2-glucoside",GTFARABJCNHOHO-UHFFFAOYSA-N
HMDB38331,286.10525293,C13H18O7,OCC1OC(OCC2=CC(O)=CC=C2)C(O)C(O)C1O,"InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-2-1-3-8(15)4-7/h1-4,9-18H,5-6H2",PNRKIXSZTUCIJN,UHFFFAOYSA,N,3-Hydroxybenzyl alcohol glucoside,PNRKIXSZTUCIJN-UHFFFAOYSA-N
HMDB38332,300.120902994,C14H20O7,OCC1OC(OCCC2=CC(O)=CC=C2)C(O)C(O)C1O,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-5-4-8-2-1-3-9(16)6-8/h1-3,6,10-19H,4-5,7H2",DIGNKQFJIIKEBA,UHFFFAOYSA,N,2-(3-Hydroxyphenyl)ethanol 1'-glucoside,DIGNKQFJIIKEBA-UHFFFAOYSA-N
HMDB38333,314.100167552,C14H18O8,OCC1OC(OC2=CC=CC=C2CC(O)=O)C(O)C(O)C1O,"InChI=1S/C14H18O8/c15-6-9-11(18)12(19)13(20)14(22-9)21-8-4-2-1-3-7(8)5-10(16)17/h1-4,9,11-15,18-20H,5-6H2,(H,16,17)",XEYDWXMYBFXGFT,UHFFFAOYSA,N,2-Hydroxyphenylacetic acid O-b-D-glucoside,XEYDWXMYBFXGFT-UHFFFAOYSA-N
HMDB38334,328.115817616,C15H20O8,OCC1OC(OC2=CC=CC=C2CCC(O)=O)C(O)C(O)C1O,"InChI=1S/C15H20O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-4,10,12-16,19-21H,5-7H2,(H,17,18)",FXEOLMWSBWXMSF,UHFFFAOYSA,N,Dihydromelilotoside,FXEOLMWSBWXMSF-UHFFFAOYSA-N
HMDB38335,314.100167552,C14H18O8,OCC1OC(OC(C(O)=O)C2=CC=CC=C2)C(O)C(O)C1O,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)",PRBPGFIPERGSFI,UHFFFAOYSA,N,(S)-Mandelic acid O-beta-D-Glucopyranoside,PRBPGFIPERGSFI-UHFFFAOYSA-N
HMDB38336,197.068807845,C9H11NO4,NC(=O)C(O)CC1=CC(O)=C(O)C=C1,"InChI=1S/C9H11NO4/c10-9(14)8(13)4-5-1-2-6(11)7(12)3-5/h1-3,8,11-13H,4H2,(H2,10,14)",UZRUFOMXLWRIQS,UHFFFAOYSA,N,"2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide",UZRUFOMXLWRIQS-UHFFFAOYSA-N
HMDB38337,554.506281356,C38H66O2,CCCCCCCC(=O)OCCCC1C(CCC2C3(C)CCC(C(C)CCC=C(C)C)C3(C)CCC12C)=C(C)C,"InChI=1S/C38H66O2/c1-10-11-12-13-14-20-35(39)40-27-16-19-33-31(29(4)5)21-22-34-36(33,7)25-26-37(8)32(23-24-38(34,37)9)30(6)18-15-17-28(2)3/h17,30,32-34H,10-16,18-27H2,1-9H3",AFZHQMQGUKDWSJ,UHFFFAOYSA,N,Helianyl octanoate,AFZHQMQGUKDWSJ-UHFFFAOYSA-N
HMDB38338,219.089543287,C12H13NO3,CN1C=C(CC(O)C(O)=O)C2=CC=CC=C12,"InChI=1S/C12H13NO3/c1-13-7-8(6-11(14)12(15)16)9-4-2-3-5-10(9)13/h2-5,7,11,14H,6H2,1H3,(H,15,16)",ICSFHZYTTBEENT,UHFFFAOYSA,N,alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid,ICSFHZYTTBEENT-UHFFFAOYSA-N
HMDB38339,219.089543287,C12H13NO3,COC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C12H13NO3/c1-16-11(12(14)15)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13H,6H2,1H3,(H,14,15)",WTRLCCDSRUPILA,UHFFFAOYSA,N,alpha-Methoxy-1H-indole-3-propanoic acid,WTRLCCDSRUPILA-UHFFFAOYSA-N
HMDB38340,322.131742452,C19H18N2O3,OC1=CC=C(\C=C\C(=O)NCCC2=CNC3=C2C=C(O)C=C3)C=C1,"InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3+",WLZPAFGVOWCVMG,FPYGCLRLSA,N,N6-cis-p-Coumaroylserotonin,WLZPAFGVOWCVMG-FPYGCLRLSA-N
HMDB38341,288.084517488,C12H16O8,CC(=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=CO1,"InChI=1S/C12H16O8/c1-5(14)11-6(2-3-18-11)19-12-10(17)9(16)8(15)7(4-13)20-12/h2-3,7-10,12-13,15-17H,4H2,1H3",RRYYNIJTMYUJDC,UHFFFAOYSA,N,Glucosylisomaltol,RRYYNIJTMYUJDC-UHFFFAOYSA-N
HMDB38342,968.49808025,C49H76O19,CC(=O)OC1C(OC2OCC(O)C(O)C2O)C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(O)=O)C2(C)C)OC(C1OC1OC(CO)C(O)C(O)C1O)C(O)=O,"InChI=1S/C49H76O19/c1-22(51)63-36-35(66-41-34(57)32(55)31(54)26(20-50)64-41)37(39(58)59)67-42(38(36)68-40-33(56)30(53)25(52)21-62-40)65-29-12-13-46(6)27(45(29,4)5)11-14-48(8)28(46)10-9-23-24-19-44(2,3)15-17-49(24,43(60)61)18-16-47(23,48)7/h9,24-38,40-42,50,52-57H,10-21H2,1-8H3,(H,58,59)(H,60,61)",RMGKGCYVUJKQSS,UHFFFAOYSA,N,Goyasaponin III,RMGKGCYVUJKQSS-UHFFFAOYSA-N
HMDB38343,691.444803311,C42H61NO7,CC1CN=C2CCCC(=C)CC3CCC(C)(O)C4(CCC5(CCC(CC(O)\C(C)=C\C6C(C)=C(CCC26CC1C)C1OC(=O)C(C)=C1)O5)O4)O3,"InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(23-28(4)29(5)24-43-37)15-13-33(36-21-27(3)38(45)47-36)30(6)34(40)20-26(2)35(44)22-32-12-16-41(48-32)17-18-42(50-41)39(7,46)14-11-31(19-25)49-42/h20-21,28-29,31-32,34-36,44,46H,1,8-19,22-24H2,2-7H3/b26-20+",TWYUDVVIPSUDIG,LHLOQNFPSA,N,13-Demethylspirolide C,TWYUDVVIPSUDIG-LHLOQNFPSA-N
HMDB38344,705.460453375,C43H63NO7,CC1CC23CCC4(O2)OC(CCC4(C)O)CC(=C)CCCC2=NCC(C)C(C)CC22CCC(C4OC(=O)C(C)=C4)=C(C)C2\C=C(C)\C(O)CC1O3,"InChI=1S/C43H63NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19-20,28-30,32,34-37,45,47H,1,9-18,21-24H2,2-8H3/b26-19+",BDNZANPABAQRBQ,LGUFXXKBSA,N,Spirolide C,BDNZANPABAQRBQ-LGUFXXKBSA-N
HMDB38345,742.450342198,C39H66O13,CC(C)CCC(O)C(C)C1C(CC2C3CC=C4CC(O)CC(OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C39H66O13/c1-17(2)7-10-25(42)18(3)29-26(50-37-35(48)33(46)31(44)27(16-40)51-37)15-24-22-9-8-20-13-21(41)14-28(39(20,6)23(22)11-12-38(24,29)5)52-36-34(47)32(45)30(43)19(4)49-36/h8,17-19,21-37,40-48H,7,9-16H2,1-6H3",UFOUZKFFEDCDRA,UHFFFAOYSA,N,Alliosterol 1-rhamnoside 16-galactoside,UFOUZKFFEDCDRA-UHFFFAOYSA-N
HMDB38346,904.503165628,C45H76O18,CC(C)CCC(O)C(C)C1C(CC2C3CC=C4CC(O)CC(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H76O18/c1-18(2)7-10-26(49)19(3)31-27(59-42-37(55)34(52)32(50)28(16-46)60-42)15-25-23-9-8-21-13-22(48)14-30(45(21,6)24(23)11-12-44(25,31)5)62-41-39(57)36(54)40(20(4)58-41)63-43-38(56)35(53)33(51)29(17-47)61-43/h8,18-20,22-43,46-57H,7,9-17H2,1-6H3",RPMXUCNWRIVIFQ,UHFFFAOYSA,N,Alliosterol 1-(4''-galactosylrhamnoside) 16-galactoside,RPMXUCNWRIVIFQ-UHFFFAOYSA-N
HMDB38347,412.136946988,C19H24O10,COC(=O)CCC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC=CC2=C1OC,"InChI=1S/C19H24O10/c1-25-14(21)4-3-9-12(7-11-10(5-6-27-11)18(9)26-2)28-19-17(24)16(23)15(22)13(8-20)29-19/h5-7,13,15-17,19-20,22-24H,3-4,8H2,1-2H3",YCIAHAYEVBEGKT,UHFFFAOYSA,N,Methylpicraquassioside A,YCIAHAYEVBEGKT-UHFFFAOYSA-N
HMDB38348,648.423733518,C37H60O9,COC1OC23C=CC4C5(C)CCC(C(C)C\C=C\C(C)(C)O)C5(C)CCC14C2CCC(OC1OC(CO)C(O)C(O)C1O)C3(C)C,"InChI=1S/C37H60O9/c1-21(10-9-15-32(2,3)42)22-13-16-35(7)24-14-17-37-25(36(24,31(43-8)46-37)19-18-34(22,35)6)11-12-26(33(37,4)5)45-30-29(41)28(40)27(39)23(20-38)44-30/h9,14-15,17,21-31,38-42H,10-13,16,18-20H2,1-8H3/b15-9+",VTWHHBJKZZJDQM,OQLLNIDSSA,N,Goyaglycoside a,VTWHHBJKZZJDQM-OQLLNIDSSA-N
HMDB38349,662.439383582,C38H62O9,COC1OC23C=CC4C5(C)CCC(C(C)C\C=C\C(C)(C)OC)C5(C)CCC14C2CCC(OC1OC(CO)C(O)C(O)C1O)C3(C)C,"InChI=1S/C38H62O9/c1-22(11-10-16-33(2,3)44-9)23-14-17-36(7)25-15-18-38-26(37(25,32(43-8)47-38)20-19-35(23,36)6)12-13-27(34(38,4)5)46-31-30(42)29(41)28(40)24(21-39)45-31/h10,15-16,18,22-32,39-42H,11-14,17,19-21H2,1-9H3/b16-10+",JYKQEJLWLRMCRC,MHWRWJLKSA,N,Goyaglycoside c,JYKQEJLWLRMCRC-MHWRWJLKSA-N
HMDB38350,810.476556948,C43H70O14,COC1OC23C=CC4C5(C)CCC(C(C)C\C=C\C(C)(C)OC6OC(CO)C(O)C(O)C6O)C5(C)CCC14C2CCC(OC1OC(CO)C(O)C(O)C1O)C3(C)C,"InChI=1S/C43H70O14/c1-22(10-9-15-38(2,3)56-36-34(51)32(49)30(47)25(21-45)54-36)23-13-16-41(7)26-14-17-43-27(42(26,37(52-8)57-43)19-18-40(23,41)6)11-12-28(39(43,4)5)55-35-33(50)31(48)29(46)24(20-44)53-35/h9,14-15,17,22-37,44-51H,10-13,16,18-21H2,1-8H3/b15-9+",NKVQKVICRWILPJ,OQLLNIDSSA,N,Goyaglycoside g,NKVQKVICRWILPJ-OQLLNIDSSA-N
HMDB38351,1064.503953488,C50H80O24,CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C50H80O24/c1-18-5-8-50(66-16-18)19(2)32-27(74-50)11-23-21-10-25(54)24-9-20(6-7-48(24,3)22(21)12-31(56)49(23,32)4)67-45-40(64)37(61)41(30(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)28(13-51)68-46)42(35(59)29(14-52)69-47)72-44-38(62)33(57)26(55)17-65-44/h18-30,32-47,51-55,57-64H,5-17H2,1-4H3",IFYPEMBRZJCTHR,UHFFFAOYSA,N,12-Ketoporrigenin 3-[4'-(2''-glucosyl-3''-xylosyl)-glucosyl)-galactoside],IFYPEMBRZJCTHR-UHFFFAOYSA-N
HMDB38352,460.282489012,C27H40O6,CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O,"InChI=1S/C27H40O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-19,28,30H,7-13H2,1-6H3,(H,32,33)",YBGBNHHXOJXFNM,UHFFFAOYSA,N,Lucidenic acid N,YBGBNHHXOJXFNM-UHFFFAOYSA-N
HMDB38353,430.344695338,C28H46O3,CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C2(O)C=CC2(O)CC(O)CCC12C,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26,30)15-16-28(23,24)31/h7-8,15-16,18-24,29-31H,9-14,17H2,1-6H3/b8-7+",UPJVQRZPXLZUET,BQYQJAHWSA,N,"(3beta,5beta,8beta,22E,24xi)-Ergosta-6,22-diene-3,5,8-triol",UPJVQRZPXLZUET-BQYQJAHWSA-N
HMDB38354,182.094294314,C10H14O3,CCOC1=C(O)C=CC(COC)=C1,"InChI=1S/C10H14O3/c1-3-13-10-6-8(7-12-2)4-5-9(10)11/h4-6,11H,3,7H2,1-2H3",FNEWGEWRECZWQM,UHFFFAOYSA,N,2-Ethoxy-4-(methoxymethyl)phenol,FNEWGEWRECZWQM-UHFFFAOYSA-N
HMDB38355,150.068079564,C9H10O2,CC\C(C=O)=C/C1=CC=CO1,"InChI=1S/C9H10O2/c1-2-8(7-10)6-9-4-3-5-11-9/h3-7H,2H2,1H3/b8-6+",UCPFCQBLYDXPTR,SOFGYWHQSA,N,2-Ethyl-4-(2-furanyl)-2-propenal,UCPFCQBLYDXPTR-SOFGYWHQSA-N
HMDB38356,360.084517488,C18H16O8,COC1=C(OC)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC(O)=C(O)C=C1,"InChI=1S/C18H16O8/c1-23-16-14(22)13-11(21)7-12(8-4-5-9(19)10(20)6-8)26-15(13)17(24-2)18(16)25-3/h4-7,19-20,22H,1-3H3",UWNUJPINKMRKKR,UHFFFAOYSA,N,Sideritiflavone,UWNUJPINKMRKKR-UHFFFAOYSA-N
HMDB38357,580.15807636,C30H28O12,OC(CC1=C(O)C=C(O)C=C1O)C(C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1OC(C(O)C2)C1=CC(O)=C(O)C=C1,"InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2",AAOPKIFUFWCDQZ,UHFFFAOYSA,N,Gambiriin A1,AAOPKIFUFWCDQZ-UHFFFAOYSA-N
HMDB38358,562.147511674,C30H26O11,OC1CC2=C(O)C3=C(OC(CC4=C(O)C=C(O)C=C4O)C3C3=CC(O)=C(O)C=C3)C=C2OC1C1=CC(O)=C(O)C=C1,"InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)21(36)5-12)28-26(40-25)11-24-16(29(28)39)9-23(38)30(41-24)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-39H,9-10H2",FFCVTFZKQFEUKL,UHFFFAOYSA,N,Gambiriin B3,FFCVTFZKQFEUKL-UHFFFAOYSA-N
HMDB38359,762.143214156,C37H30O18,O[C@@H]1CC2=C(O[C@@H]1C1=C(C(O)=C(O)C(O)=C1)C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=C(C[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C3)C=C(O)C=C2O,"InChI=1S/C37H30O18/c38-12-3-18(40)14-7-24(46)35(53-25(14)5-12)16-8-22(44)31(48)33(50)28(16)29-17(9-23(45)32(49)34(29)51)36-27(10-15-19(41)4-13(39)6-26(15)54-36)55-37(52)11-1-20(42)30(47)21(43)2-11/h1-6,8-9,24,27,35-36,38-51H,7,10H2/t24-,27-,35-,36-/m1/s1",CTVAVEOYQKVFFY,DUSGSIEYSA,N,Theasinensin B,CTVAVEOYQKVFFY-DUSGSIEYSA-N
HMDB38360,914.154172735,C44H34O22,OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)[C@H]2OC3=C(C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=CC(O)=C3)C(O)=C1,"InChI=1S/C44H34O22/c45-15-5-21(47)17-11-31(65-43(61)13-1-23(49)35(55)24(50)2-13)41(63-29(17)7-15)19-9-27(53)37(57)39(59)33(19)34-20(10-28(54)38(58)40(34)60)42-32(12-18-22(48)6-16(46)8-30(18)64-42)66-44(62)14-3-25(51)36(56)26(52)4-14/h1-10,31-32,41-42,45-60H,11-12H2/t31-,32-,41-,42-/m1/s1",YUULFXAQUWEYNP,GXAWFILRSA,N,Theasinensin A,YUULFXAQUWEYNP-GXAWFILRSA-N
HMDB38361,306.073952802,C15H14O7,O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C=C(O)C=C2O,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1",XMOCLSLCDHWDHP,IUODEOHRSA,N,(-)-Epigallocatechin,XMOCLSLCDHWDHP-IUODEOHRSA-N
HMDB38362,452.110732238,C24H20O9,OC1=CC=C(\C=C\C(=O)O[C@@H]2CC3=C(O[C@@H]2C2=CC(O)=C(O)C(O)=C2)C=C(O)C=C3O)C=C1,"InChI=1S/C24H20O9/c25-14-4-1-12(2-5-14)3-6-22(30)32-21-11-16-17(27)9-15(26)10-20(16)33-24(21)13-7-18(28)23(31)19(29)8-13/h1-10,21,24-29,31H,11H2/b6-3+/t21-,24-/m1/s1",HKPGWUPXXPIOAN,XMTAIGAMSA,N,(-)-Epigallocatechin 3-p-coumaroate,HKPGWUPXXPIOAN-XMTAIGAMSA-N
HMDB38363,472.100561482,C23H20O11,COC1=CC(=CC(O)=C1O)C(=O)O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C=C(O)C=C2O,"InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1",WVRDOLPMKOCJRJ,DENIHFKCSA,N,(-)-Epigallocatechin 3-(3-methyl-gallate),WVRDOLPMKOCJRJ-DENIHFKCSA-N
HMDB38364,610.095870034,C29H22O15,OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1,"InChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1",RKUDRJTZBDEGNP,YIXXDRMTSA,N,"(-)-Epigallocatechin 3,5-di-gallate",RKUDRJTZBDEGNP-YIXXDRMTSA-N
HMDB38365,306.073952791,C15H14O7,O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",XMOCLSLCDHWDHP,SWLSCSKDSA,N,(+)-Gallocatechin,XMOCLSLCDHWDHP-SWLSCSKDSA-N
HMDB38366,578.142426296,C30H26O12,OC1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C([C@@H]1[C@@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O,"InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21?,26-,28-,29+,30-/m1/s1",GMISZFQPFDAPGI,WXXMRKNTSA,N,Procyanidin B5,GMISZFQPFDAPGI-WXXMRKNTSA-N
HMDB38367,578.142426296,C30H26O12,O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28+,29-,30-/m1/s1",OHIUVDQGXUITJQ,AARHSHDHSA,N,Procyanidin B6,OHIUVDQGXUITJQ-AARHSHDHSA-N
HMDB38368,578.142426296,C30H26O12,OC1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28?,29-,30-/m1/s1",OHIUVDQGXUITJQ,RRZQRCDDSA,N,Procyanidin B7,OHIUVDQGXUITJQ-RRZQRCDDSA-N
HMDB38369,578.142426296,C30H26O12,O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2[C@H]1C1=C(O)C2=C(C=C1O)[C@@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28-,29+,30+/m0/s1",OHIUVDQGXUITJQ,VDKDFJRPSA,N,Procyanidin B8,OHIUVDQGXUITJQ-VDKDFJRPSA-N
HMDB38370,866.205814384,C45H38O18,[H][C@]1([C@@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C2O[C@@H]([C@H](O)[C@@]([H])(C3=C(O)C=C(O)C4=C3O[C@@H]([C@H](O)C4)C3=CC(O)=C(O)C=C3)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",MOJZMWJRUKIQGL,XILRTYJMSA,N,Procyanidin C1,MOJZMWJRUKIQGL-XILRTYJMSA-N
HMDB38371,1170.227731644,C59H46O26,OC1C(OC2=CC(O)=CC(O)=C2C1C1=C2OC(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=C(O)C=C(O)C4=C3OC(C(C4)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC(O)=C(O)C=C3)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C59H46O26/c60-24-14-33(68)43-41(15-24)81-53(20-2-5-27(62)31(66)8-20)51(78)47(43)44-35(70)18-36(71)46-48(57(85-59(80)23-12-39(74)50(77)40(75)13-23)54(84-56(44)46)21-3-6-28(63)32(67)9-21)45-34(69)17-29(64)25-16-42(82-58(79)22-10-37(72)49(76)38(73)11-22)52(83-55(25)45)19-1-4-26(61)30(65)7-19/h1-15,17-18,42,47-48,51-54,57,60-78H,16H2",CSQVLCNLSUIXDX,UHFFFAOYSA,N,"ent-Epicatechin-(4alpha->8)-ent-epicatechin-(4alpha->8)-ent-epicatechin 3',3''-digallate",CSQVLCNLSUIXDX-UHFFFAOYSA-N
HMDB38372,1322.23869026,C66H50O30,OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1)C1=C2OC(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=C4OC(C(CC4=C(O)C=C3O)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC(O)=C(O)C=C3)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1,"InChI=1S/C66H50O30/c67-27-16-36(75)48-46(17-27)91-58(22-2-5-30(69)34(73)8-22)62(95-65(89)25-12-42(81)55(86)43(82)13-25)52(48)50-38(77)20-39(78)51-53(63(96-66(90)26-14-44(83)56(87)45(84)15-26)59(94-61(50)51)23-3-6-31(70)35(74)9-23)49-37(76)19-32(71)28-18-47(92-64(88)24-10-40(79)54(85)41(80)11-24)57(93-60(28)49)21-1-4-29(68)33(72)7-21/h1-17,19-20,47,52-53,57-59,62-63,67-87H,18H2",QKXUXZSVOPLDOD,UHFFFAOYSA,N,"Procyanidin C1 3,3',3''-tri-O-gallate",QKXUXZSVOPLDOD-UHFFFAOYSA-N
HMDB38373,898.195643656,C45H38O20,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=C(C4C(O)C(OC5=CC(O)=CC(O)=C45)C4=CC(O)=C(O)C(O)=C4)C(O)=CC(O)=C13)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O,"InChI=1S/C45H38O20/c46-16-8-21(50)31-30(9-16)63-42(14-4-25(54)37(59)26(55)5-14)39(61)35(31)33-23(52)12-24(53)34-36(40(62)43(65-45(33)34)15-6-27(56)38(60)28(57)7-15)32-22(51)11-19(48)17-10-29(58)41(64-44(17)32)13-1-2-18(47)20(49)3-13/h1-9,11-12,29,35-36,39-43,46-62H,10H2",RJFFPCHJOFXZQD,UHFFFAOYSA,N,[Gallocatechin(4alpha->8)]2catechin,RJFFPCHJOFXZQD-UHFFFAOYSA-N
HMDB38374,882.200729034,C45H38O19,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=C(C4C(O)C(OC5=CC(O)=CC(O)=C45)C4=CC(O)=C(O)C(O)=C4)C(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C(O)C=C2O,"InChI=1S/C45H38O19/c46-17-9-24(52)32-31(10-17)62-43(16-7-28(56)38(59)29(57)8-16)39(60)36(32)34-26(54)13-27(55)35-37(40(61)42(64-45(34)35)15-2-4-20(48)23(51)6-15)33-25(53)12-21(49)18-11-30(58)41(63-44(18)33)14-1-3-19(47)22(50)5-14/h1-10,12-13,30,36-37,39-43,46-61H,11H2",RGJAJCOCOZWPNI,UHFFFAOYSA,N,Gallocatechin-(4alpha->8)-catechin-(4alpha->8)-catechin,RGJAJCOCOZWPNI-UHFFFAOYSA-N
HMDB38375,882.200729034,C45H38O19,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=C(C4C(O)C(OC5=CC(O)=CC(O)=C45)C4=CC(O)=C(O)C=C4)C(O)=CC(O)=C13)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O,"InChI=1S/C45H38O19/c46-17-9-24(52)32-31(10-17)62-42(15-2-4-20(48)23(51)6-15)39(60)36(32)34-26(54)13-27(55)35-37(40(61)43(64-45(34)35)16-7-28(56)38(59)29(57)8-16)33-25(53)12-21(49)18-11-30(58)41(63-44(18)33)14-1-3-19(47)22(50)5-14/h1-10,12-13,30,36-37,39-43,46-61H,11H2",IHBGHNWUFNXKJX,UHFFFAOYSA,N,Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-catechin,IHBGHNWUFNXKJX-UHFFFAOYSA-N
HMDB38376,644.34079175,C32H52O13,C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(=O)OC1OC(CO)C(O)C(O)C1O)=C\COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C32H52O13/c1-16(10-13-42-28-26(39)24(37)22(35)19(14-33)43-28)6-8-18-17(2)7-9-21-31(18,3)11-5-12-32(21,4)30(41)45-29-27(40)25(38)23(36)20(15-34)44-29/h10,18-29,33-40H,2,5-9,11-15H2,1,3-4H3/b16-10-",DQBCTTXPKJBNHF,YBEGLDIGSA,N,Goshonoside F3,DQBCTTXPKJBNHF-YBEGLDIGSA-N
HMDB38377,630.361527192,C32H54O12,C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC12C)=C\COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C32H54O12/c1-17(10-13-41-29-27(39)25(37)23(35)20(14-33)43-29)6-8-19-18(2)7-9-22-31(3,11-5-12-32(19,22)4)16-42-30-28(40)26(38)24(36)21(15-34)44-30/h10,19-30,33-40H,2,5-9,11-16H2,1,3-4H3/b17-10-",YQDMUEBOTCUADA,YVLHZVERSA,N,Goshonoside F4,YQDMUEBOTCUADA-YVLHZVERSA-N
HMDB38378,630.361527192,C32H54O12,C\C(CCC1C(=C)CCC2C(C)(C)C(CCC12C)OC1OC(CO)C(O)C(O)C1O)=C\COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C32H54O12/c1-16(11-13-41-29-27(39)25(37)23(35)19(14-33)42-29)6-8-18-17(2)7-9-21-31(3,4)22(10-12-32(18,21)5)44-30-28(40)26(38)24(36)20(15-34)43-30/h11,18-30,33-40H,2,6-10,12-15H2,1,3-5H3/b16-11-",HILPXFUUVMCHIZ,WJDWOHSUSA,N,Goshonoside F7,HILPXFUUVMCHIZ-WJDWOHSUSA-N
HMDB38379,162.02853971,C5H10N2S2,SC(=S)N1CCNCC1,"InChI=1S/C5H10N2S2/c8-5(9)7-3-1-6-2-4-7/h6H,1-4H2,(H,8,9)",IDIICHZCEIGXGB,UHFFFAOYSA,N,1-Piperazinecarbodithioic acid,IDIICHZCEIGXGB-UHFFFAOYSA-N
HMDB38380,362.318480588,C24H42O2,CC(C)(C)CC(C)(C)C1=CC=C(OCCCCCCCCCCO)C=C1,"InChI=1S/C24H42O2/c1-23(2,3)20-24(4,5)21-14-16-22(17-15-21)26-19-13-11-9-7-6-8-10-12-18-25/h14-17,25H,6-13,18-20H2,1-5H3",YHBHQYRDAVETGQ,UHFFFAOYSA,N,Triton X 100,YHBHQYRDAVETGQ-UHFFFAOYSA-N
HMDB38381,360.142032366,C16H24O9,COC1=CC(CCO)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H24O9/c1-22-9-5-8(3-4-17)6-10(23-2)15(9)25-16-14(21)13(20)12(19)11(7-18)24-16/h5-6,11-14,16-21H,3-4,7H2,1-2H3",PSZXKZGDJMPMIO,UHFFFAOYSA,N,"2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4'-glucoside",PSZXKZGDJMPMIO-UHFFFAOYSA-N
HMDB38382,886.492600942,C45H74O17,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C45H74O17/c1-19-8-13-45(56-17-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)58-42-38(54)35(51)39(61-41-37(53)33(49)31(47)21(3)57-41)29(60-42)18-55-40-36(52)34(50)32(48)28(16-46)59-40/h19-42,46-54H,6-18H2,1-5H3",UBMCTHWOOSUTHL,UHFFFAOYSA,N,Desglucoparillin,UBMCTHWOOSUTHL-UHFFFAOYSA-N
HMDB38383,914.451130058,C45H70O19,CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(CO)OC(OC5CCC6(C)C7CCC8(C)C(CC=C8C(C)=O)C7CC=C6C5)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C45H70O19/c1-17(47)24-9-10-25-23-8-7-21-15-22(11-13-44(21,5)26(23)12-14-45(24,25)6)60-43-36(56)32(52)39(27(16-46)61-43)64-42-35(55)31(51)38(20(4)59-42)63-41-34(54)30(50)37(19(3)58-41)62-40-33(53)29(49)28(48)18(2)57-40/h7,9,18-20,22-23,25-43,46,48-56H,8,10-16H2,1-6H3",SULXAXUGFHTBKQ,UHFFFAOYSA,N,3b-Pregnadienolone 3-[rhamnosyl-(1->4)-rhamnosyl-(1->4)-rhamnosyl-(1->4)-glucoside],SULXAXUGFHTBKQ-UHFFFAOYSA-N
HMDB38384,478.071586314,C17H22N2O10S2,CON1C=C(C\C(SC2OC(CO)C(O)C(O)C2O)=N/OS(O)(=O)=O)C2=CC=CC=C12,"InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/b18-13+",PKKMITFKYRCCOL,QGOAFFKASA,N,Neoglucobrassicin,PKKMITFKYRCCOL-QGOAFFKASA-N
HMDB38385,482.015727694,C12H22N2O10S4,CS(=O)(=O)CS(=O)CS(=O)CS(=O)CC(\N=C(/O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C12H22N2O10S4/c1-28(23,24)7-27(22)6-26(21)5-25(20)4-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h8-9H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)",YJXVNZXKWINDJO,UHFFFAOYSA,N,Lentinic acid,YJXVNZXKWINDJO-UHFFFAOYSA-N
HMDB38386,601.996884272,C28H10O16,OC1=CC2=C3C(OC(=O)C4=C3C(OC2=O)=C(O)C(O)=C4C2=C(O)C(O)=C3OC(=O)C4=C5C(OC(=O)C2=C35)=C(O)C(O)=C4)=C1O,"InChI=1S/C28H10O16/c29-5-1-3-7-11-13(27(39)43-21(7)15(5)31)9(17(33)19(35)23(11)41-25(3)37)10-14-12-8-4(26(38)42-24(12)20(36)18(10)34)2-6(30)16(32)22(8)44-28(14)40/h1-2,29-36H",UFZXXHKUASPQQT,UHFFFAOYSA,N,Diellagilactone,UFZXXHKUASPQQT-UHFFFAOYSA-N
HMDB38387,568.376389396,C35H52O6,CC(C)C(=O)C12C(=O)C(CC=C(C)C)=C3OC(CC3(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O)C(C)(C)OO,"InChI=1S/C35H52O6/c1-21(2)13-12-18-33(11)25(16-14-22(3)4)19-34-20-27(32(9,10)41-39)40-30(34)26(17-15-23(5)6)29(37)35(33,31(34)38)28(36)24(7)8/h13-15,24-25,27,39H,12,16-20H2,1-11H3",CSWYLIDLQDJVCQ,UHFFFAOYSA,N,33-Deoxy-33-hydroperoxyfurohyperforin,CSWYLIDLQDJVCQ-UHFFFAOYSA-N
HMDB38388,520.376389396,C31H52O6,CC(C)C(O)(CO)CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O,"InChI=1S/C31H52O6/c1-18(2)30(37,17-32)12-9-19(3)20-10-11-27(5)21-7-8-22-28(6,25(35)36)23(33)15-24(34)31(22)16-29(21,31)14-13-26(20,27)4/h18-24,32-34,37H,7-17H2,1-6H3,(H,35,36)",WXPOFBIHDUXUII,UHFFFAOYSA,N,Cyclopassifloic acid B,WXPOFBIHDUXUII-UHFFFAOYSA-N
HMDB38389,682.429212826,C37H62O11,CC(C)C(O)(CO)CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C37H62O11/c1-19(2)36(46,18-39)12-9-20(3)21-10-11-33(5)23-7-8-24-34(6,31(45)48-30-29(44)28(43)27(42)22(16-38)47-30)25(40)15-26(41)37(24)17-35(23,37)14-13-32(21,33)4/h19-30,38-44,46H,7-18H2,1-6H3",ZNQCKSPNGMMRRF,UHFFFAOYSA,N,Cyclopassifloside II,ZNQCKSPNGMMRRF-UHFFFAOYSA-N
HMDB38390,844.482036256,C43H72O16,CC(C)C(O)(CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C43H72O16/c1-20(2)42(55,19-56-35-33(52)31(50)29(48)23(16-44)57-35)12-9-21(3)22-10-11-39(5)25-7-8-26-40(6,37(54)59-36-34(53)32(51)30(49)24(17-45)58-36)27(46)15-28(47)43(26)18-41(25,43)14-13-38(22,39)4/h20-36,44-53,55H,7-19H2,1-6H3",NUJWBDOJBSCJEG,UHFFFAOYSA,N,Cyclopassifloside III,NUJWBDOJBSCJEG-UHFFFAOYSA-N
HMDB38391,328.203844762,C21H28O3,COC1=C(C=C2CCC3C4C(CCC3(C)C)C(=O)OC1=C24)C(C)C,"InChI=1S/C21H28O3/c1-11(2)14-10-12-6-7-15-17-13(8-9-21(15,3)4)20(22)24-19(16(12)17)18(14)23-5/h10-11,13,15,17H,6-9H2,1-5H3",NRKDGGOZWKDHMW,UHFFFAOYSA,N,"12-Methoxy-8,11,13-abietatrien-20,11-olide",NRKDGGOZWKDHMW-UHFFFAOYSA-N
HMDB38392,558.116211546,C30H22O11,OC1=CC=C(C=C1)C1OC2=C(C(O)=CC(O)=C2)C(=O)C1C1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=C(O)C(O)=C1,"InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2",IMIXFUXOSFSXPC,UHFFFAOYSA,N,Dihydromorelloflavone,IMIXFUXOSFSXPC-UHFFFAOYSA-N
HMDB38393,160.146329884,C9H20O2,CCCCC(OCC)OCC,"InChI=1S/C9H20O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-8H2,1-3H3",XCWKYQWOLSOBCC,UHFFFAOYSA,N,"1,1-Diethoxypentane",XCWKYQWOLSOBCC-UHFFFAOYSA-N
HMDB38394,103.063328537,C4H9NO2,CC(=O)OCCN,"InChI=1S/C4H9NO2/c1-4(6)7-3-2-5/h2-3,5H2,1H3",HBVZRPAKZOLBPL,UHFFFAOYSA,N,O-Acetylethanolamine,HBVZRPAKZOLBPL-UHFFFAOYSA-N
HMDB38395,354.110338308,C20H18O6,C\C(CO)=C/CC1=C2OC=C(C(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1,"InChI=1S/C20H18O6/c1-11(9-21)2-7-14-16(23)8-17(24)18-19(25)15(10-26-20(14)18)12-3-5-13(22)6-4-12/h2-6,8,10,21-24H,7,9H2,1H3/b11-2+",MEADLGUPYQNUNF,BIIKFXOESA,N,Gancaonin C,MEADLGUPYQNUNF-BIIKFXOESA-N
HMDB38396,384.120902994,C21H20O7,COC1=C(O)C=C(C=C1)C1=COC2=C(C\C=C(/C)CO)C(O)=CC(O)=C2C1=O,"InChI=1S/C21H20O7/c1-11(9-22)3-5-13-15(23)8-17(25)19-20(26)14(10-28-21(13)19)12-4-6-18(27-2)16(24)7-12/h3-4,6-8,10,22-25H,5,9H2,1-2H3/b11-3+",UCKSAYIMWMIZQJ,QDEBKDIKSA,N,Gancaonin D,UCKSAYIMWMIZQJ-QDEBKDIKSA-N
HMDB38397,354.110338308,C20H18O6,CC(C)=CCC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C20H18O6/c1-10(2)3-5-12-14(22)8-18-19(20(12)25)16(24)9-17(26-18)11-4-6-13(21)15(23)7-11/h3-4,6-9,21-23,25H,5H2,1-2H3",AFJYQKPCJLMHCC,UHFFFAOYSA,N,Gancaonin O,AFJYQKPCJLMHCC-UHFFFAOYSA-N
HMDB38398,370.10525293,C20H18O7,CC(C)=CCC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C20H18O7/c1-9(2)3-5-11-13(22)8-15-16(17(11)24)18(25)19(26)20(27-15)10-4-6-12(21)14(23)7-10/h3-4,6-8,21-24,26H,5H2,1-2H3",OCIIFJFJVOTFTN,UHFFFAOYSA,N,Gancaonin P,OCIIFJFJVOTFTN-UHFFFAOYSA-N
HMDB38399,262.120509064,C15H18O4,CC1=CC(=O)C(=CC1=O)C1(C)CC(=O)C(C)(C)C1O,"InChI=1S/C15H18O4/c1-8-5-11(17)9(6-10(8)16)15(4)7-12(18)14(2,3)13(15)19/h5-6,13,19H,7H2,1-4H3",KHRRUNIMAKHJPR,UHFFFAOYSA,N,Enokipodin D,KHRRUNIMAKHJPR-UHFFFAOYSA-N
HMDB38400,140.120115134,C9H16O,CCCC\C=C/C=C\CO,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-8,10H,2-4,9H2,1H3/b6-5-,8-7-",NCPWFIVLKCFWSP,ISTTXYCBSA,N,"(2xi,4xi)-2,4-Nonadien-1-ol",NCPWFIVLKCFWSP-ISTTXYCBSA-N
HMDB38401,424.037212181,C14H18NO10S2,OC[C@H]1O[C@@H](S\C(=N/OS(=O)([O-])=O)CC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/p-1/b15-10-/t9-,11-,12+,13-,14+/m1/s1",WWBNBPSEKLOHJU,RFEZBLSLSA,M,Glucosinalbin,WWBNBPSEKLOHJU-RFEZBLSLSA-M
HMDB38403,421.053493409,C12H23NO9S3,CSCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8+",GKUMMDFLKGFCKH,MDWZMJQESA,N,Glucoerucin,GKUMMDFLKGFCKH-MDWZMJQESA-N
HMDB38404,436.040582999,C12H22NO10S3,CS(=O)CCCC\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/OS([O-])(=O)=O,"InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/p-1/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1",GMMLNKINDDUDCF,RFOBZYEESA,M,Glucoraphanin,GMMLNKINDDUDCF-RFOBZYEESA-M
HMDB38405,641.090666775,C23H31NO14S3,COC1=CC(\C=C\C(=O)OCC2OC(S\C(CC\C=C\S(C)=O)=N\OS(O)(=O)=O)C(O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C23H31NO14S3/c1-34-14-10-13(11-15(35-2)19(14)26)7-8-18(25)36-12-16-20(27)21(28)22(29)23(37-16)39-17(24-38-41(31,32)33)6-4-5-9-40(3)30/h5,7-11,16,20-23,26-29H,4,6,12H2,1-3H3,(H,31,32,33)/b8-7+,9-5+,24-17+",ZXXHJOWBIQIEDP,FKHFMQJFSA,N,6-Sinapoylglucoraphenin,ZXXHJOWBIQIEDP-FKHFMQJFSA-N
HMDB38406,423.032757967,C11H21NO10S3,CS(=O)CCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/b12-7+",PHYYADMVYQURSX,KPKJPENVSA,N,Glucoiberin,PHYYADMVYQURSX-KPKJPENVSA-N
HMDB38407,439.027672589,C11H21NO11S3,CS(=O)(=O)CCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/b12-7+",OFKKQTQFWWIRBD,KPKJPENVSA,N,Glucocheirolin,OFKKQTQFWWIRBD-KPKJPENVSA-N
HMDB38408,393.022193281,C10H19NO9S3,CSCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C10H19NO9S3/c1-21-3-2-6(11-20-23(16,17)18)22-10-9(15)8(14)7(13)5(4-12)19-10/h5,7-10,12-15H,2-4H2,1H3,(H,16,17,18)/b11-6+",ZQKUEDRZCDZXIY,IZZDOVSWSA,N,2-(Methylthio)ethyl glucosinolate,ZQKUEDRZCDZXIY-IZZDOVSWSA-N
HMDB38409,449.084793537,C14H27NO9S3,CSCCCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/b15-10+",ZAKICGFSIJSCSF,XNTDXEJSSA,N,6-(Methylthio)hexyl glucosinolate,ZAKICGFSIJSCSF-XNTDXEJSSA-N
HMDB38410,465.079708159,C14H27NO10S3,CS(=O)CCCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)/b15-10+",OOGAQHVYHLPICD,XNTDXEJSSA,N,Glucohesperalin,OOGAQHVYHLPICD-XNTDXEJSSA-N
HMDB38411,481.074622781,C14H27NO11S3,CS(=O)(=O)CCCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C14H27NO11S3/c1-28(20,21)7-5-3-2-4-6-10(15-26-29(22,23)24)27-14-13(19)12(18)11(17)9(8-16)25-14/h9,11-14,16-19H,2-8H2,1H3,(H,22,23,24)/b15-10+",ILRMEXURGOFHMQ,XNTDXEJSSA,N,6-(Methylsulfonyl)hexyl glucosinolate,ILRMEXURGOFHMQ-XNTDXEJSSA-N
HMDB38412,389.081422719,C12H23NO9S2,CC(C)CC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C12H23NO9S2/c1-6(2)3-4-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(5-14)21-12/h6-7,9-12,14-17H,3-5H2,1-2H3,(H,18,19,20)/b13-8+",IGFSKYBVOPSATL,MDWZMJQESA,N,3-Methylbutyl glucosinolate,IGFSKYBVOPSATL-MDWZMJQESA-N
HMDB38413,405.076337341,C12H23NO10S2,CCCC(O)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C12H23NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h6-7,9-12,14-18H,2-5H2,1H3,(H,19,20,21)/b13-8+",XTEJYKQXWYEDHX,MDWZMJQESA,N,2-Hydroxypentyl glucosinolate,XTEJYKQXWYEDHX-MDWZMJQESA-N
HMDB38414,389.081422719,C12H23NO9S2,CCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C12H23NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8+",HWFSIYKVSPYQJX,MDWZMJQESA,N,Pentyl glucosinolate,HWFSIYKVSPYQJX-MDWZMJQESA-N
HMDB38415,451.097072783,C17H25NO9S2,OCC1OC(S\C(CCCCC2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C17H25NO9S2/c19-10-12-14(20)15(21)16(22)17(26-12)28-13(18-27-29(23,24)25)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12,14-17,19-22H,4-5,8-10H2,(H,23,24,25)/b18-13+",PJZFULXMEGMUDK,QGOAFFKASA,N,4-Phenylbutyl glucosinolate,PJZFULXMEGMUDK-QGOAFFKASA-N
HMDB38416,401.081422719,C13H23NO9S2,OCC1OC(S\C(CCCCC=C)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C13H23NO9S2/c1-2-3-4-5-6-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(7-15)22-13/h2,8,10-13,15-18H,1,3-7H2,(H,19,20,21)/b14-9+",ZCZQFWPILSDOII,NTEUORMPSA,N,5-Hexenyl glucosinolate,ZCZQFWPILSDOII-NTEUORMPSA-N
HMDB38417,387.065772655,C12H21NO9S2,OCC1OC(S\C(CCCC=C)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/b13-8+",XMJFVIGTHMOGNZ,MDWZMJQESA,N,Glucobrassicanapin,XMJFVIGTHMOGNZ-MDWZMJQESA-N
HMDB38418,391.060687277,C11H21NO10S2,CC(C)(O)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C11H21NO10S2/c1-11(2,17)3-6(12-22-24(18,19)20)23-10-9(16)8(15)7(14)5(4-13)21-10/h5,7-10,13-17H,3-4H2,1-2H3,(H,18,19,20)/b12-6+",DYAQCRHEYVANDL,WUXMJOGZSA,N,Glucoconringiin,DYAQCRHEYVANDL-WUXMJOGZSA-N
HMDB38419,409.050122591,C14H19NO9S2,OCC1OC(S\C(CC2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10+",QQGLQYQXUKHWPX,XNTDXEJSSA,N,Glucotropaeolin,QQGLQYQXUKHWPX-XNTDXEJSSA-N
HMDB38420,403.097072783,C13H25NO9S2,CC(C)CCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C13H25NO9S2/c1-7(2)4-3-5-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(6-15)22-13/h7-8,10-13,15-18H,3-6H2,1-2H3,(H,19,20,21)/b14-9+",PVFJQLBPPQHTLU,NTEUORMPSA,N,4-Methylpentyl glucosinolate,PVFJQLBPPQHTLU-NTEUORMPSA-N
HMDB38421,375.065772655,C11H21NO9S2,CC(C)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C11H21NO9S2/c1-5(2)3-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(4-13)20-11/h5-6,8-11,13-16H,3-4H2,1-2H3,(H,17,18,19)/b12-7+",SKLKAEFXBVWMJP,KPKJPENVSA,N,2-Methylpropyl glucosinolate,SKLKAEFXBVWMJP-KPKJPENVSA-N
HMDB38422,437.081422719,C16H23NO9S2,OCC1OC(S\C(CCCC2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C16H23NO9S2/c18-9-11-13(19)14(20)15(21)16(25-11)27-12(17-26-28(22,23)24)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13-16,18-21H,4,7-9H2,(H,22,23,24)/b17-12+",AAVHHGNQWFTUKS,SFQUDFHCSA,N,3-Phenylpropyl glucosinolate,AAVHHGNQWFTUKS-SFQUDFHCSA-N
HMDB38423,423.065772655,C15H21NO9S2,OCC1OC(S\C(CCC2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/b16-11+",CKIJIGYDFNXSET,LFIBNONCSA,N,Gluconasturtiin,CKIJIGYDFNXSET-LFIBNONCSA-N
HMDB38424,403.097072783,C13H25NO9S2,CCCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C13H25NO9S2/c1-2-3-4-5-6-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/b14-9+",NUTWTZOAYGJICT,NTEUORMPSA,N,Hexyl glucosinolate,NUTWTZOAYGJICT-NTEUORMPSA-N
HMDB38425,415.097072783,C14H25NO9S2,OCC1OC(S\C(CCCCCC=C)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C14H25NO9S2/c1-2-3-4-5-6-7-10(15-24-26(20,21)22)25-14-13(19)12(18)11(17)9(8-16)23-14/h2,9,11-14,16-19H,1,3-8H2,(H,20,21,22)/b15-10+",YCWIQCABRUTWQD,XNTDXEJSSA,N,6-Heptenyl glucosinolate,YCWIQCABRUTWQD-XNTDXEJSSA-N
HMDB38426,375.065772655,C11H21NO9S2,CCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C11H21NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/b12-7+",SYVVJZLOTVDBCP,KPKJPENVSA,N,Butyl glucosinolate,SYVVJZLOTVDBCP-KPKJPENVSA-N
HMDB38427,373.050122591,C11H19NO9S2,OCC1OC(S\C(CCC=C)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/b12-7+",PLYQBXHVYUJNQB,KPKJPENVSA,N,Gluconapin,PLYQBXHVYUJNQB-KPKJPENVSA-N
HMDB38428,377.045037213,C10H19NO10S2,CC(O)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C10H19NO10S2/c1-4(13)2-6(11-21-23(17,18)19)22-10-9(16)8(15)7(14)5(3-12)20-10/h4-5,7-10,12-16H,2-3H2,1H3,(H,17,18,19)/b11-6+",GUFJTWBPQBCRFN,IZZDOVSWSA,N,2-Hydroxypropyl glucosinolate,GUFJTWBPQBCRFN-IZZDOVSWSA-N
HMDB38429,333.018822463,C8H15NO9S2,C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O,"InChI=1S/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)/b9-3+",UBTOEGCOMHAXGV,YCRREMRBSA,N,Methyl glucosinolate,UBTOEGCOMHAXGV-YCRREMRBSA-N
HMDB38430,230.0223917,C13H10S2,CC#CC1=CC=C(S1)C1=CC=C(S1)C=C,"InChI=1S/C13H10S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h4,6-9H,2H2,1H3",ZSPDHCUUQXDMTH,UHFFFAOYSA,N,"5-(1-Propynyl)-5'-vinyl-2,2'-bithiophene",ZSPDHCUUQXDMTH-UHFFFAOYSA-N
HMDB38431,1012.487909494,C50H76O21,CC1OC(OC2C(O)C(OC3C(O)C(O)C(OC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(CC(OC(C)=O)C6(C)CCC54C)C(O)=O)C3(C)C)C(O)=O)OC(C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C50H76O21/c1-20-28(52)29(53)32(56)41(65-20)68-35-33(57)37(40(61)62)69-42(34(35)58)71-38-31(55)30(54)36(39(59)60)70-43(38)67-26-13-14-48(7)24(45(26,3)4)12-15-50(9)25(48)11-10-22-23-18-46(5,44(63)64)19-27(66-21(2)51)47(23,6)16-17-49(22,50)8/h10,20,23-38,41-43,52-58H,11-19H2,1-9H3,(H,59,60)(H,61,62)(H,63,64)",USBWWSIEUOUQTH,UHFFFAOYSA,N,Licoricesaponin D3,USBWWSIEUOUQTH-UHFFFAOYSA-N
HMDB38432,143.076870111,C7H13NS,CCCCCCN=C=S,"InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3",WXYAXKKXIGHXDS,UHFFFAOYSA,N,1-Isothiocyanatohexane,WXYAXKKXIGHXDS-UHFFFAOYSA-N
HMDB38433,129.061220047,C6H11NS,CCCCCN=C=S,"InChI=1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3",SGHJUJBYMSVAJY,UHFFFAOYSA,N,1-Isothiocyanatopentane,SGHJUJBYMSVAJY-UHFFFAOYSA-N
HMDB38434,155.076870111,C8H13NS,C=CCCCCCN=C=S,"InChI=1S/C8H13NS/c1-2-3-4-5-6-7-9-8-10/h2H,1,3-7H2",WZXOJFDWZWNRLN,UHFFFAOYSA,N,7-Isothiocyanato-1-heptene,WZXOJFDWZWNRLN-UHFFFAOYSA-N
HMDB38435,143.076870111,C7H13NS,CC(C)CCCN=C=S,"InChI=1S/C7H13NS/c1-7(2)4-3-5-8-6-9/h7H,3-5H2,1-2H3",CZWUENKYXFGDIG,UHFFFAOYSA,N,1-Isothiocyanato-4-methylpentane,CZWUENKYXFGDIG-UHFFFAOYSA-N
HMDB38436,141.061220047,C7H11NS,C=CCCCCN=C=S,"InChI=1S/C7H11NS/c1-2-3-4-5-6-8-7-9/h2H,1,3-6H2",WRFHVMFZOJHYGN,UHFFFAOYSA,N,6-Isothiocyanato-1-hexene,WRFHVMFZOJHYGN-UHFFFAOYSA-N
HMDB38437,185.123820303,C10H19NS,CSCCCCCCCCC#N,"InChI=1S/C10H19NS/c1-12-10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3",KQKRRHTVZQEXBX,UHFFFAOYSA,N,9-(Methylthio)nonanenitrile,KQKRRHTVZQEXBX-UHFFFAOYSA-N
HMDB38438,171.108170239,C9H17NS,CSCCCCCCCC#N,"InChI=1S/C9H17NS/c1-11-9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3",BWZCPICNIWWLFX,UHFFFAOYSA,N,8-(Methylthio)octanenitrile,BWZCPICNIWWLFX-UHFFFAOYSA-N
HMDB38439,143.040484605,C6H9NOS,C=CCC1CNC(=S)O1,"InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h2,5H,1,3-4H2,(H,7,9)",QEKDLBSHZCJKRO,UHFFFAOYSA,N,(-)-5-(2-Propenyl)-2-oxazolidinethione,QEKDLBSHZCJKRO-UHFFFAOYSA-N
HMDB38440,203.080240929,C9H17NS2,CSCCCCCCCN=C=S,"InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3",LDIRGNDMTOGVRB,UHFFFAOYSA,N,1-Isothiocyanato-7-(methylthio)heptane,LDIRGNDMTOGVRB-UHFFFAOYSA-N
HMDB38441,219.075155551,C9H17NOS2,CS(=O)CCCCCCCN=C=S,"InChI=1S/C9H17NOS2/c1-13(11)8-6-4-2-3-5-7-10-9-12/h2-8H2,1H3",OGYHCBGORZWBPH,UHFFFAOYSA,N,1-Isothiocyanato-7-(methylsulfinyl)heptane,OGYHCBGORZWBPH-UHFFFAOYSA-N
HMDB38442,133.001990609,C4H7NS2,CSCCN=C=S,"InChI=1S/C4H7NS2/c1-7-3-2-5-4-6/h2-3H2,1H3",NRORKJAOHOBIMQ,UHFFFAOYSA,N,1-Isothiocyanato-2-(methylthio)ethane,NRORKJAOHOBIMQ-UHFFFAOYSA-N
HMDB38443,191.076870111,C11H13NS,S=C=NCCCCC1=CC=CC=C1,"InChI=1S/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2",CCBQOLFAKKAMLD,UHFFFAOYSA,N,1-Isothiocyanato-4-phenylbutane,CCBQOLFAKKAMLD-UHFFFAOYSA-N
HMDB38444,177.061220047,C10H11NS,S=C=NCCCC1=CC=CC=C1,"InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2",GRUOGLPIAPZLHJ,UHFFFAOYSA,N,1-Isothiocyanato-3-phenylpropane,GRUOGLPIAPZLHJ-UHFFFAOYSA-N
HMDB38445,163.045569983,C9H9NS,S=C=NCCC1=CC=CC=C1,"InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2",IZJDOKYDEWTZSO,UHFFFAOYSA,N,1-Isothiocyanato-2-phenylethane,IZJDOKYDEWTZSO-UHFFFAOYSA-N
HMDB38446,161.033290737,C6H11NS2,CSCCCCSC#N,"InChI=1S/C6H11NS2/c1-8-4-2-3-5-9-6-7/h2-5H2,1H3",FUCWJZPPDWREHP,UHFFFAOYSA,N,1-Thiocyanato-4-(methylthio)butane,FUCWJZPPDWREHP-UHFFFAOYSA-N
HMDB38447,217.095890993,C10H19NS2,CSCCCCCCCCN=C=S,"InChI=1S/C10H19NS2/c1-13-9-7-5-3-2-4-6-8-11-10-12/h2-9H2,1H3",BFBMDZOSZQDEKW,UHFFFAOYSA,N,1-Isothiocyanato-8-(methylthio)octane,BFBMDZOSZQDEKW-UHFFFAOYSA-N
HMDB38448,286.084123558,C16H14O5,OC1=CC=C(CC2COC3=CC(O)=CC(O)=C3C2=O)C=C1,"InChI=1S/C16H14O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2",FIASLUPJXGTCKM,UHFFFAOYSA,N,"(-)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone",FIASLUPJXGTCKM-UHFFFAOYSA-N
HMDB38449,680.28915011,C30H48O17,CC(OC1OC(COC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C,"InChI=1S/C30H48O17/c1-12-7-14(32)8-29(3,4)30(12,41)6-5-13(2)44-27-24(39)22(37)19(34)16(46-27)10-42-26-23(38)20(35)17(11-43-26)47-28-25(40)21(36)18(33)15(9-31)45-28/h5-7,13,15-28,31,33-41H,8-11H2,1-4H3/b6-5+",UGIAZMRSYPJDAZ,AATRIKPKSA,N,Vomifoliol 9-[glucosyl-(1->4)-xylosyl-(1->6)-glucoside],UGIAZMRSYPJDAZ-AATRIKPKSA-N
HMDB38450,380.147117744,C19H24O8,CC12C3C(C(O)=O)C45CC(O)(C(O)CC4C3(CCC1O)OC2=O)C(=C)C5O,"InChI=1S/C19H24O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)",JMGSTZUVIHCAAA,UHFFFAOYSA,N,Gibberellin A86,JMGSTZUVIHCAAA-UHFFFAOYSA-N
HMDB38451,984.456609366,C48H72O21,CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O,"InChI=1S/C48H72O21/c1-43(2)23-8-11-48(7)36(21(50)16-19-20-17-45(4,13-12-44(20,3)14-15-47(19,48)6)42(63)69-39-31(57)26(52)25(51)22(18-49)64-39)46(23,5)10-9-24(43)65-41-35(30(56)29(55)34(67-41)38(61)62)68-40-32(58)27(53)28(54)33(66-40)37(59)60/h16,20,22-36,39-41,49,51-58H,8-15,17-18H2,1-7H3,(H,59,60)(H,61,62)",HJFOOTRGDAPZMV,UHFFFAOYSA,N,Licoricesaponin A3,HJFOOTRGDAPZMV-UHFFFAOYSA-N
HMDB38452,634.408083454,C36H58O9,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1(C)O)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3",RRIMLWHUVCZACL,UHFFFAOYSA,N,28-Glucosylpomolate,RRIMLWHUVCZACL-UHFFFAOYSA-N
HMDB38453,298.120509064,C18H18O4,COC1=CC2=C(C(=O)CC(O2)C2=CC=CC=C2)C(OC)=C1C,"InChI=1S/C18H18O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3",XYMPWWTYELQXGU,UHFFFAOYSA,N,"5,7-Dimethoxy-6-methylflavanone",XYMPWWTYELQXGU-UHFFFAOYSA-N
HMDB38454,800.216379098,C38H40O19,COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C4=C(OC(=CC4=O)C4=CC(OC)=C(O)C=C4)C=C3O)C(O)C(O)C2O)=C1,"InChI=1S/C38H40O19/c1-51-22-9-15(3-6-17(22)40)4-8-27(44)53-14-26-31(46)33(48)35(50)38(56-26)57-37-34(49)30(45)25(13-39)55-36(37)29-20(43)12-24-28(32(29)47)19(42)11-21(54-24)16-5-7-18(41)23(10-16)52-2/h3-12,25-26,30-31,33-41,43,45-50H,13-14H2,1-2H3/b8-4+",DJZOTDSGEBENPL,XBXARRHUSA,N,Isoscoparin 2''-(6-(E)-ferulylglucoside),DJZOTDSGEBENPL-XBXARRHUSA-N
HMDB38455,462.116211546,C22H22O11,COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C2O,"InChI=1S/C22H22O11/c1-30-10-4-2-9(3-5-10)21-19(28)17(26)15-12(24)6-11(7-13(15)32-21)31-22-20(29)18(27)16(25)14(8-23)33-22/h2-7,14,16,18,20,22-25,27-29H,8H2,1H3/t14-,16-,18+,20-,22-/m1/s1",XJQKYCNSLNPXDD,XMHBHJPISA,N,Kaempferide 7-glucoside,XJQKYCNSLNPXDD-XMHBHJPISA-N
HMDB38456,160.100048394,C10H12N2,CNCC1=CNC2=CC=CC=C12,"InChI=1S/C10H12N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,11-12H,6H2,1H3",BIFJNBXQXNWYOL,UHFFFAOYSA,N,N-Norgramine,BIFJNBXQXNWYOL-UHFFFAOYSA-N
HMDB38457,307.214743799,C18H29NO3,COC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1,"InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)",XJQPQKLURWNAAH,UHFFFAOYSA,N,Dihydrocapsaicin,XJQPQKLURWNAAH-UHFFFAOYSA-N
HMDB38458,498.109034452,C16H26N4O10S2,NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C16H26N4O10S2/c17-7(13(23)24)1-3-11(21)19-9(15(27)28)5-31-32-6-10(16(29)30)20-12(22)4-2-8(18)14(25)26/h7-10H,1-6,17-18H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)",GOZJYXJJQVGDOJ,UHFFFAOYSA,N,"N,N'-Bis(gamma-glutamyl)cystine",GOZJYXJJQVGDOJ-UHFFFAOYSA-N
HMDB38459,290.007135566,C14H10O3S2,CC(=O)OCC(=O)C#CC1=CC=C(S1)C1=CC=CS1,"InChI=1S/C14H10O3S2/c1-10(15)17-9-11(16)4-5-12-6-7-14(19-12)13-3-2-8-18-13/h2-3,6-8H,9H2,1H3",DTTMMEKKOHDZHY,UHFFFAOYSA,N,"5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene",DTTMMEKKOHDZHY-UHFFFAOYSA-N
HMDB38460,113.029919919,C5H7NS,N#CCCC1CS1,"InChI=1S/C5H7NS/c6-3-1-2-5-4-7-5/h5H,1-2,4H2",ZAGXORSINWAUSP,UHFFFAOYSA,N,Thiiranepropanenitrile,ZAGXORSINWAUSP-UHFFFAOYSA-N
HMDB38461,205.059505487,C8H15NOS2,CS(=O)CCCCCCN=C=S,"InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3",XQZVZULJKVALRI,UHFFFAOYSA,N,1-Isothiocyanato-6-(methylsulfinyl)hexane,XQZVZULJKVALRI-UHFFFAOYSA-N
HMDB38462,172.063662888,C10H8N2O,OC1=CC=CC2=C1C(CC#N)=CN2,"InChI=1S/C10H8N2O/c11-5-4-7-6-12-8-2-1-3-9(13)10(7)8/h1-3,6,12-13H,4H2",RWBSUCOEZMIDSA,UHFFFAOYSA,N,4-Hydroxy-1H-indole-3-acetonitrile,RWBSUCOEZMIDSA-UHFFFAOYSA-N
HMDB38463,218.051383642,C11H10N2OS,CON1C=C(CN=C=S)C2=CC=CC=C12,"InChI=1S/C11H10N2OS/c1-14-13-7-9(6-12-8-15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3",FLURSKCCKANNKS,UHFFFAOYSA,N,3-(Isothiocyanatomethyl)-1-methoxy-1H-indole,FLURSKCCKANNKS-UHFFFAOYSA-N
HMDB38464,640.127564092,C27H28O18,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)O[C@@H]2C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C27H28O18/c28-6-13-15(33)17(35)19(37)26(42-13)44-23-18(36)20(38)27(45-24(23)25(39)40)43-22-16(34)14-11(32)4-8(29)5-12(14)41-21(22)7-1-2-9(30)10(31)3-7/h1-5,13,15,17-20,23-24,26-33,35-38H,6H2,(H,39,40)/t13-,15-,17+,18-,19-,20-,23+,24+,26+,27-/m1/s1",RFPZGZUMXXMVEL,UBSYNHCDSA,N,Nelumboside,RFPZGZUMXXMVEL-UBSYNHCDSA-N
HMDB38465,506.10604079,C23H22O13,CC(=O)OC1C(O)C(O)C(CO)OC1OC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C23H22O13/c1-8(25)33-22-19(32)17(30)15(7-24)35-23(22)36-21-18(31)16-13(29)5-10(26)6-14(16)34-20(21)9-2-3-11(27)12(28)4-9/h2-6,15,17,19,22-24,26-30,32H,7H2,1H3",AIHKAQUFJMNPAR,UHFFFAOYSA,N,Glyphoside,AIHKAQUFJMNPAR-UHFFFAOYSA-N
HMDB38466,346.068867424,C17H14O8,COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O)C(O)=C(O)C(O)=C2O1,"InChI=1S/C17H14O8/c1-23-9-4-3-7(5-11(9)24-2)10-6-8(18)12-13(19)14(20)15(21)16(22)17(12)25-10/h3-6,19-22H,1-2H3",WTGSDFJZUGAHBH,UHFFFAOYSA,N,"5,6,7,8-Tetrahydroxy-3',4'-dimethoxyflavone",WTGSDFJZUGAHBH-UHFFFAOYSA-N
HMDB38467,448.100561482,C21H20O11,OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2",PEFNSGRTCBGNAN,UHFFFAOYSA,N,Luteolin 7-galactoside,PEFNSGRTCBGNAN-UHFFFAOYSA-N
HMDB38468,448.100561482,C21H20O11,OCC1OC(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2",UHNXUSWGOJMEFO,UHFFFAOYSA,N,Luteolin 4'-glucoside,UHNXUSWGOJMEFO-UHFFFAOYSA-N
HMDB38469,580.142820226,C26H28O15,OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O,"InChI=1S/C26H28O15/c27-7-18-20(33)21(34)22(41-25-23(35)26(36,8-28)9-37-25)24(40-18)38-11-4-14(31)19-15(32)6-16(39-17(19)5-11)10-1-2-12(29)13(30)3-10/h1-6,18,20-25,27-31,33-36H,7-9H2",YSXNEFJASLJGTK,UHFFFAOYSA,N,Graveobioside A,YSXNEFJASLJGTK-UHFFFAOYSA-N
HMDB38470,756.21129372,C33H40O20,CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O20/c1-10-22(38)25(41)28(44)31(48-10)47-9-20-24(40)27(43)29(45)32(53-20)49-12-5-14(36)21-15(37)7-17(50-18(21)6-12)11-2-3-16(13(35)4-11)51-33-30(46)26(42)23(39)19(8-34)52-33/h2-7,10,19-20,22-36,38-46H,8-9H2,1H3",GTKBXDKMEHYUSU,UHFFFAOYSA,N,Cynarotrioside,GTKBXDKMEHYUSU-UHFFFAOYSA-N
HMDB38471,366.004552608,C15H10O9S,OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC(O)=C(OS(O)(=O)=O)C=C1,"InChI=1S/C15H10O9S/c16-8-4-10(18)15-11(19)6-13(23-14(15)5-8)7-1-2-12(9(17)3-7)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)",MCJCSFGCQMESFL,UHFFFAOYSA,N,Luteolin 4'-sulfate,MCJCSFGCQMESFL-UHFFFAOYSA-N
HMDB38472,366.004552608,C15H10O9S,OC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1,"InChI=1S/C15H10O9S/c16-9-2-1-7(3-10(9)17)13-6-12(19)15-11(18)4-8(5-14(15)23-13)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)",NTLSJCCPWSJISD,UHFFFAOYSA,N,Luteolin 7-sulfate,NTLSJCCPWSJISD-UHFFFAOYSA-N
HMDB38473,246.089208936,C14H14O4,COC1=CC(O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1,"InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3",BIJOPUWEMBBDEG,UHFFFAOYSA,N,Torachrysone,BIJOPUWEMBBDEG-UHFFFAOYSA-N
HMDB38474,546.377651724,C30H58O4S2,CCCCCCCCCCCCOC(=O)CCSSCCC(=O)OCCCCCCCCCCCC,"InChI=1S/C30H58O4S2/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-36-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",OHCIBJNNZNPROG,UHFFFAOYSA,N,"Dilauryl 3,3'-thiodipropionate",OHCIBJNNZNPROG-UHFFFAOYSA-N
HMDB38475,457.158410711,C20H27NO11,OCC1OC(OC2C(O)C(O)C(CO)OC2OC(C#N)C2=CC=CC=C2)C(O)C(O)C1O,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)29-20-18(16(27)14(25)12(8-23)31-20)32-19-17(28)15(26)13(24)11(7-22)30-19/h1-5,10-20,22-28H,7-8H2",YGHHWSRCTPQFFC,UHFFFAOYSA,N,Mandelonitrile sophoroside,YGHHWSRCTPQFFC-UHFFFAOYSA-N
HMDB38476,266.151809192,C15H22O4,CC1=CC2OC3CC(O)C(C)(C33CO3)C2(C)C(O)C1,"InChI=1S/C15H22O4/c1-8-4-9(16)13(2)11(5-8)19-12-6-10(17)14(13,3)15(12)7-18-15/h5,9-12,16-17H,4,6-7H2,1-3H3",HSKDIWXLQLBLPQ,UHFFFAOYSA,N,7-Hydroxytrichodermol,HSKDIWXLQLBLPQ-UHFFFAOYSA-N
HMDB38477,566.163555668,C26H30O14,COC1=CC(O)=C2C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)=C3C(=O)C=C(C)OC3=CC2=C1,"InChI=1S/C26H30O14/c1-10-3-13(28)18-15(38-10)5-11-4-12(35-2)6-14(29)17(11)22(18)40-24-21(32)20(31)19(30)16(39-24)7-36-25-23(33)26(34,8-27)9-37-25/h3-6,16,19-21,23-25,27,29-34H,7-9H2,1-2H3",FKKPTUZRYGLMMA,UHFFFAOYSA,N,Cassiaside B,FKKPTUZRYGLMMA-UHFFFAOYSA-N
HMDB38478,596.174120354,C27H32O15,COC1=CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C2C(O)=C3C(=O)C=C(C)OC3=CC2=C1,"InChI=1S/C27H32O15/c1-9-3-12(29)18-13(39-9)5-10-4-11(37-2)6-14(17(10)21(18)32)40-27-25(36)23(34)20(31)16(42-27)8-38-26-24(35)22(33)19(30)15(7-28)41-26/h3-6,15-16,19-20,22-28,30-36H,7-8H2,1-2H3",JIBJMBHKGBDCPN,UHFFFAOYSA,N,Rubrofusarin 6-gentiobioside,JIBJMBHKGBDCPN-UHFFFAOYSA-N
HMDB38479,354.110338308,C20H18O6,CC(C)=CCC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC=C(O)C=C2)C=C1O,"InChI=1S/C20H18O6/c1-10(2)3-8-13-14(22)9-15-16(17(13)23)18(24)19(25)20(26-15)11-4-6-12(21)7-5-11/h3-7,9,21-23,25H,8H2,1-2H3",TVMHBSODLWMMMV,UHFFFAOYSA,N,Licoflavonol,TVMHBSODLWMMMV-UHFFFAOYSA-N
HMDB38480,352.13107375,C21H20O5,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C(=CO2)C1=CC=C(O)C=C1,"InChI=1S/C21H20O5/c1-12(2)4-9-15-17(25-3)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(22)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3",WLPHLDLTTPUDSI,UHFFFAOYSA,N,Gancaonin G,WLPHLDLTTPUDSI-UHFFFAOYSA-N
HMDB38481,352.13107375,C21H20O5,COC1=CC=C(C=C1)C1=COC2=C(C(O)=C(CC=C(C)C)C(O)=C2)C1=O,"InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3",JQNSUDIGIIGIOL,UHFFFAOYSA,N,Gancaonin A,JQNSUDIGIIGIOL-UHFFFAOYSA-N
HMDB38482,423.174060775,C17H29NO11,CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C#N,"InChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3",WOSYVGNDRYBQCQ,UHFFFAOYSA,N,Neolinustatin,WOSYVGNDRYBQCQ-UHFFFAOYSA-N
HMDB38483,328.224974134,C18H32O5,CCC(C)C1CC(C(C)CC)C(=C1)C(O)CC(O)C(O)C(O)=O,"InChI=1S/C18H32O5/c1-5-10(3)12-7-13(11(4)6-2)14(8-12)15(19)9-16(20)17(21)18(22)23/h8,10-13,15-17,19-21H,5-7,9H2,1-4H3,(H,22,23)",RKOUCPMGBBKLNK,UHFFFAOYSA,N,Auxin a,RKOUCPMGBBKLNK-UHFFFAOYSA-N
HMDB38484,310.214409448,C18H30O4,CCC(C)C1CC(C(C)CC)C(=C1)C(O)CC(=O)CC(O)=O,"InChI=1S/C18H30O4/c1-5-11(3)13-7-15(12(4)6-2)16(8-13)17(20)9-14(19)10-18(21)22/h8,11-13,15,17,20H,5-7,9-10H2,1-4H3,(H,21,22)",MQETZQLZTJUQHR,UHFFFAOYSA,N,Auxin b,MQETZQLZTJUQHR-UHFFFAOYSA-N
HMDB38485,460.428031036,C31H56O2,CCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3",GDJMJAKVVSGNLA,UHFFFAOYSA,N,"5-Pentacosyl-1,3-benzenediol",GDJMJAKVVSGNLA-UHFFFAOYSA-N
HMDB38486,367.057316459,C12H17NO10S,OCC1OC(OC2(CC(OS(O)(=O)=O)C=C2)C#N)C(O)C(O)C1O,"InChI=1S/C12H17NO10S/c13-5-12(2-1-6(3-12)23-24(18,19)20)22-11-10(17)9(16)8(15)7(4-14)21-11/h1-2,6-11,14-17H,3-4H2,(H,18,19,20)",OXUIYNFEUWRHJJ,UHFFFAOYSA,N,Tetraphyllin B sulfate,OXUIYNFEUWRHJJ-UHFFFAOYSA-N
HMDB38487,773.214033374,C33H41O21,OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC3=C([O+]=C4C=C(O)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4=C3)C3=CC(O)=C(O)C=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C33H40O21/c34-7-18-21(40)24(43)27(46)31(51-18)49-16-5-11(37)4-15-12(16)6-17(29(48-15)10-1-2-13(38)14(39)3-10)50-33-30(26(45)23(42)20(9-36)53-33)54-32-28(47)25(44)22(41)19(8-35)52-32/h1-6,18-28,30-36,40-47H,7-9H2,(H2-,37,38,39)/p+1/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,30-,31-,32+,33+/m1/s1",LOXRHOFBKUTJEZ,QSJHZMFDSA,O,Cyanidin 3-sophoroside 5-glucoside,LOXRHOFBKUTJEZ-QSJHZMFDSA-O
HMDB38488,368.125988372,C21H20O6,COC1=C(O)C=C(C=C1)C1=COC2=C(C(O)=C(CC=C(C)C)C(O)=C2)C1=O,"InChI=1S/C21H20O6/c1-11(2)4-6-13-15(22)9-18-19(20(13)24)21(25)14(10-27-18)12-5-7-17(26-3)16(23)8-12/h4-5,7-10,22-24H,6H2,1-3H3",YQEPOQVRUDADPH,UHFFFAOYSA,N,Gancaonin B,YQEPOQVRUDADPH-UHFFFAOYSA-N
HMDB38489,342.116211546,C12H22O11,OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12-/m1/s1",DLRVVLDZNNYCBX,OBXYLZGFSA,N,Allolactose,DLRVVLDZNNYCBX-OBXYLZGFSA-N
HMDB38490,666.221858406,C24H42O21,OCC1OC(CO)(OCC2OC(COC3(CO)OC(CO)C(O)C3O)(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O,"InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(7-40-23(6-29)19(37)14(32)10(3-27)43-23)20(38)15(33)11(44-24)4-39-22(5-28)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2",MMYFQTWHKPSUDE,UHFFFAOYSA,N,Bifurcose,MMYFQTWHKPSUDE-UHFFFAOYSA-N
HMDB38491,194.042652674,C6H10O7,O[C@@H]1O[C@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4+,6+/m0/s1",AEMOLEFTQBMNLQ,ODNOERHMSA,N,L-Altruronic acid,AEMOLEFTQBMNLQ-ODNOERHMSA-N
HMDB38492,284.089602866,C13H16O7,O[C@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C13H16O7/c14-9-8(20-13(18)11(16)10(9)15)6-19-12(17)7-4-2-1-3-5-7/h1-5,8-11,13-16,18H,6H2/t8-,9-,10+,11-,13+/m1/s1",MRDRXKCKIMVUHN,HMUNZLOLSA,N,D-Vacciniin,MRDRXKCKIMVUHN-HMUNZLOLSA-N
HMDB38493,277.116151967,C11H19NO7,OC[C@H]1OC(O)(CN2CCCC2C(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C11H19NO7/c13-4-7-8(14)9(15)11(18,19-7)5-12-3-1-2-6(12)10(16)17/h6-9,13-15,18H,1-5H2,(H,16,17)/t6?,7-,8-,9+,11?/m1/s1",GSFRYAKUDPPHHG,MKSMHYHASA,N,N-(1-Deoxy-1-fructosyl)proline,GSFRYAKUDPPHHG-MKSMHYHASA-N
HMDB38494,330.110338308,C18H18O6,OC\C=C\C1=CC2=C(O[C@@H]([C@@H](CO)O2)C2=CC(O)=C(O)C=C2)C=C1,"InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1+/t17-,18-/m1/s1",NKYXNCKZTCGVJJ,ZHEVZCJESA,N,Americanol,NKYXNCKZTCGVJJ-ZHEVZCJESA-N
HMDB38495,478.329439204,C28H46O6,CC(C)C(C)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C28H46O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15-17,19,21-24,30-34H,7-11,13-14H2,1-6H3",KQBCIGPPRFLKLS,UHFFFAOYSA,N,Polyporusterone A,KQBCIGPPRFLKLS-UHFFFAOYSA-N
HMDB38496,476.31378914,C28H44O6,CC(C)C(=C)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C28H44O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15,17,19,21-24,30-34H,3,7-11,13-14H2,1-2,4-6H3",OQDKHYZVFZGSRC,UHFFFAOYSA,N,Polyporusterone B,OQDKHYZVFZGSRC-UHFFFAOYSA-N
HMDB38497,476.31378914,C28H44O6,CC(C)C(C)C1OC1C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C28H44O6/c1-14(2)15(3)23-24(34-23)27(6,32)22-8-10-28(33)17-11-19(29)18-12-20(30)21(31)13-25(18,4)16(17)7-9-26(22,28)5/h11,14-16,18,20-24,30-33H,7-10,12-13H2,1-6H3",XOSHHFGXQBEREG,UHFFFAOYSA,N,Polyporusterone C,XOSHHFGXQBEREG-UHFFFAOYSA-N
HMDB38498,460.318874518,C28H44O5,CC(C)C(C)C1OC1C(C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C28H44O5/c1-14(2)15(3)24-25(33-24)16(4)17-8-10-28(32)19-11-21(29)20-12-22(30)23(31)13-26(20,5)18(19)7-9-27(17,28)6/h11,14-18,20,22-25,30-32H,7-10,12-13H2,1-6H3",BBNQTVHCXTWVJZ,UHFFFAOYSA,N,Polyporusterone E,BBNQTVHCXTWVJZ-UHFFFAOYSA-N
HMDB38499,462.334524582,C28H46O5,CC(C)C(C)CC(O)C(C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C28H46O5/c1-15(2)16(3)11-22(29)17(4)18-8-10-28(33)20-12-23(30)21-13-24(31)25(32)14-26(21,5)19(20)7-9-27(18,28)6/h12,15-19,21-22,24-25,29,31-33H,7-11,13-14H2,1-6H3",UPQHDDLJIDVNJE,UHFFFAOYSA,N,Polyporusterone F,UPQHDDLJIDVNJE-UHFFFAOYSA-N
HMDB38500,460.318874518,C28H44O5,CC(C)C(C)CC(O)C(=C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C28H44O5/c1-15(2)16(3)11-22(29)17(4)18-8-10-28(33)20-12-23(30)21-13-24(31)25(32)14-26(21,5)19(20)7-9-27(18,28)6/h12,15-16,18-19,21-22,24-25,29,31-33H,4,7-11,13-14H2,1-3,5-6H3",RHWDQPXMKCQCKR,UHFFFAOYSA,N,Polyporusterone D,RHWDQPXMKCQCKR-UHFFFAOYSA-N
HMDB38501,460.318874518,C28H44O5,CC(C)C(=C)CC(O)C(C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C28H44O5/c1-15(2)16(3)11-22(29)17(4)18-8-10-28(33)20-12-23(30)21-13-24(31)25(32)14-26(21,5)19(20)7-9-27(18,28)6/h12,15,17-19,21-22,24-25,29,31-33H,3,7-11,13-14H2,1-2,4-6H3",JUHSHQMSDLSJCS,UHFFFAOYSA,N,Polyporusterone G,JUHSHQMSDLSJCS-UHFFFAOYSA-N
HMDB38502,252.172544634,C15H24O3,CC(CC(=O)C=C(C)C)C1CC(O)C(C)(O)C=C1,"InChI=1S/C15H24O3/c1-10(2)7-13(16)8-11(3)12-5-6-15(4,18)14(17)9-12/h5-7,11-12,14,17-18H,8-9H2,1-4H3",QJOWFYQIUZMPRY,UHFFFAOYSA,N,Bisacurone B,QJOWFYQIUZMPRY-UHFFFAOYSA-N
HMDB38503,268.167459256,C15H24O4,CC(CC(=O)C=C(C)C)C1CC(O)C(C)(O)C2OC12,"InChI=1S/C15H24O4/c1-8(2)5-10(16)6-9(3)11-7-12(17)15(4,18)14-13(11)19-14/h5,9,11-14,17-18H,6-7H2,1-4H3",YFDIAFVTFRYMNI,UHFFFAOYSA,N,Bisacurone epoxide,YFDIAFVTFRYMNI-UHFFFAOYSA-N
HMDB38504,396.302830524,C27H40O2,C\C(CCCO)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)=CC(O)CC1(C)C,"InChI=1S/C27H40O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-9,11-14,16-17,19,25-26,28-29H,10,15,18,20H2,1-6H3/b8-7+,13-9+,17-16+,21-11+,22-12+,23-14+",UKYBIQCVRBJWBE,GYVFJTMISA,N,alpha-Micropteroxanthin B,UKYBIQCVRBJWBE-GYVFJTMISA-N
HMDB38505,396.302830524,C27H40O2,C\C(CCCO)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C27H40O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-9,11-14,16-17,25,28-29H,10,15,18-20H2,1-6H3/b8-7+,13-9+,17-16+,21-11+,22-12+,23-14+",IXMBIKPYQQTHKK,GYVFJTMISA,N,beta-Micropteroxanthin,IXMBIKPYQQTHKK-GYVFJTMISA-N
HMDB38506,394.28718046,C27H38O2,C\C(CCCO)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C,"InChI=1S/C27H38O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-9,11-14,25,28-29H,10,15,18-20H2,1-6H3/b8-7+,13-9+,21-11+,22-12+,23-14+",WBZDTPSENKZGHB,CVQMZNOGSA,N,"7,8-Dehydro-beta-micropteroxanthin",WBZDTPSENKZGHB-CVQMZNOGSA-N
HMDB38507,524.110732238,C30H20O9,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O,"InChI=1S/C30H20O9/c1-11-5-15-23(17-9-13(31)10-21(35)27(17)29(37)25(15)19(33)6-11)22-14-3-2-4-18(32)24(14)28(36)26-16(22)7-12(30(38)39)8-20(26)34/h2-10,22-23,31-35H,1H3,(H,38,39)",RRIVQXPGYSPESH,UHFFFAOYSA,N,Rheidin A,RRIVQXPGYSPESH-UHFFFAOYSA-N
HMDB38508,538.126382302,C31H22O9,COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(C)C=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O,"InChI=1S/C31H22O9/c1-12-6-16-24(18-10-14(40-2)11-22(35)28(18)30(37)26(16)20(33)7-12)23-15-4-3-5-19(32)25(15)29(36)27-17(23)8-13(31(38)39)9-21(27)34/h3-11,23-24,32-35H,1-2H3,(H,38,39)",NJQDJYRXLQEGRB,UHFFFAOYSA,N,Rheidin C,NJQDJYRXLQEGRB-UHFFFAOYSA-N
HMDB38509,508.115817616,C30H20O8,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O,"InChI=1S/C30H20O8/c1-12-8-16-22(14-4-2-6-18(31)24(14)28(35)26(16)20(33)9-12)23-15-5-3-7-19(32)25(15)29(36)27-17(23)10-13(30(37)38)11-21(27)34/h2-11,22-23,31-34H,1H3,(H,37,38)",BYPYDHLERFKKKV,UHFFFAOYSA,N,Rheidin B,BYPYDHLERFKKKV-UHFFFAOYSA-N
HMDB38510,208.073558872,C11H12O4,COC1=CC(O)=C2C(=O)OC(C)CC2=C1,"InChI=1S/C11H12O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3",AIFNAMVERSBWPS,UHFFFAOYSA,N,6-Methoxymellein,AIFNAMVERSBWPS-UHFFFAOYSA-N
HMDB38511,218.167065326,C15H22O,CC(CC(O)C=C(C)C)C1=CC=C(C)C=C1,"InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13,15-16H,10H2,1-4H3",NRBFEAZFHRHFFQ,UHFFFAOYSA,N,Bisacumol,NRBFEAZFHRHFFQ-UHFFFAOYSA-N
HMDB38512,220.18271539,C15H24O,CC(CC(O)C=C(C)C)C1CCC(=C)C=C1,"InChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-16H,3,6,8,10H2,1-2,4H3",KRPZTCZJBVPGEM,UHFFFAOYSA,N,Bisacurol,KRPZTCZJBVPGEM-UHFFFAOYSA-N
HMDB38513,150.079312952,C8H10N2O,CC1=CN2CCCC2=NC1=O,"InChI=1S/C8H10N2O/c1-6-5-10-4-2-3-7(10)9-8(6)11/h5H,2-4H2,1H3",KRYURACLPUIPBO,UHFFFAOYSA,N,"7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one",KRYURACLPUIPBO-UHFFFAOYSA-N
HMDB38514,294.121571696,C14H18N2O5,NC(CCC(=O)NC(CC(O)=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C14H18N2O5/c15-10(14(20)21)6-7-12(17)16-11(8-13(18)19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)",IDPGQVFKQDLMJA,UHFFFAOYSA,N,L-gamma-Glutamyl-beta-phenyl-beta-L-alanine,IDPGQVFKQDLMJA-UHFFFAOYSA-N
HMDB38515,322.065713076,C11H18N2O5S2,NC(CCC(=O)NC(CSSCC=C)C(O)=O)C(O)=O,"InChI=1S/C11H18N2O5S2/c1-2-5-19-20-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)",VTEHWEWRSAXLHY,UHFFFAOYSA,N,L-gamma-Glutamyl-S-allylthio-L-cysteine,VTEHWEWRSAXLHY-UHFFFAOYSA-N
HMDB38516,259.116820669,C10H17N3O5,NC(CCC(=O)NN1CCCC1C(O)=O)C(O)=O,"InChI=1S/C10H17N3O5/c11-6(9(15)16)3-4-8(14)12-13-5-1-2-7(13)10(17)18/h6-7H,1-5,11H2,(H,12,14)(H,15,16)(H,17,18)",KWWHDNLMGLRNRN,UHFFFAOYSA,N,Linatine,KWWHDNLMGLRNRN-UHFFFAOYSA-N
HMDB38517,804.465992262,C44H68O13,CC(CC(O)C1OC2CCC3(CCC(O3)\C=C\C(C)C3CC(C)=CC4(OC(CC(C)(O)C(O)=O)CCC4O)O3)OC2C(O)C1=C)C1CCCC2(OCCCC2C)O1,"InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+",BRFKTXCAUCYQBT,VAWYXSNFSA,N,Dinophysistoxin 2,BRFKTXCAUCYQBT-VAWYXSNFSA-N
HMDB38518,296.104859,C18H16O4,COC1=C(C)C2=C(C(=O)C=C(O2)C2=CC=CC=C2)C(O)=C1C,"InChI=1S/C18H16O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-9,20H,1-3H3",PQZXFPBMXPGZMO,UHFFFAOYSA,N,Desmosflavone,PQZXFPBMXPGZMO-UHFFFAOYSA-N
HMDB38519,304.094688244,C16H16O6,COC1=C(O)C=CC(=C1)C1OC2=CC(O)=CC(O)=C2CC1O,"InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3",NJHJXXLBWQXMRO,UHFFFAOYSA,N,Arachidoside,NJHJXXLBWQXMRO-UHFFFAOYSA-N
HMDB38520,320.23514489,C20H32O3,CCCCCCCCCCCCCC1=C(C(O)=O)C(O)=CC=C1,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)",VEPUCZUJLKAVNM,UHFFFAOYSA,N,2-Hydroxy-6-tridecylbenzoic acid,VEPUCZUJLKAVNM-UHFFFAOYSA-N
HMDB38521,318.219494826,C20H30O3,CCCCC\C=C/CCCCCCC1=C(C(O)=O)C(O)=CC=C1,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h6-7,13,15-16,21H,2-5,8-12,14H2,1H3,(H,22,23)/b7-6-",NIHXXEQAKMXJMU,SREVYHEPSA,N,2-Hydroxy-6-(8-tridecenyl)benzoic acid,NIHXXEQAKMXJMU-SREVYHEPSA-N
HMDB38522,374.282095082,C24H38O3,CCCCCC\C=C/CCCCCCCCCC1=C(C(O)=O)C(O)=CC=C1,"InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-",MBYNDKVOZOAOIS,FPLPWBNLSA,N,2-(10-Heptadecenyl)-6-hydroxybenzoic acid,MBYNDKVOZOAOIS-FPLPWBNLSA-N
HMDB38523,388.297745146,C25H40O3,CCCCCC\C=C/CCCCCCCCCC1=C(C(=O)OC)C(O)=CC=C1,"InChI=1S/C25H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26)24(22)25(27)28-2/h8-9,18,20-21,26H,3-7,10-17,19H2,1-2H3/b9-8-",ASEOLGYFIXYYFV,HJWRWDBZSA,N,Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate,ASEOLGYFIXYYFV-HJWRWDBZSA-N
HMDB38524,432.396730908,C29H52O2,CCCCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3",OHTBGMREZYLZQD,UHFFFAOYSA,N,"5-Tricosyl-1,3-benzenediol",OHTBGMREZYLZQD-UHFFFAOYSA-N
HMDB38525,330.292265838,C23H38O,CCCCCC\C=C/CCCCCCCCCC1=CC(O)=CC=C1,"InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h7-8,17,19-21,24H,2-6,9-16,18H2,1H3/b8-7-",BIEZSEGUHJMPKG,FPLPWBNLSA,N,3-(10-Heptadecenyl)phenol,BIEZSEGUHJMPKG-FPLPWBNLSA-N
HMDB38526,186.10446507,C13H14O,CC#CC#C\C=C/C=C\C=C\CCO,"InChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-11,14H,12-13H2,1H3/b7-6-,9-8-,11-10+",CNMWTIVSNRLOLQ,ZUHOWUEJSA,N,"(all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol",CNMWTIVSNRLOLQ-ZUHOWUEJSA-N
HMDB38527,346.28718046,C23H38O2,CCCCC\C=C\CCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,18-20,24-25H,2-5,8-17H2,1H3/b7-6+",HUHFXXDYKXJMCS,VOTSOKGWSA,N,"5-(12-Heptadecenyl)-1,3-benzenediol",HUHFXXDYKXJMCS-VOTSOKGWSA-N
HMDB38528,368.125988372,C21H20O6,COC1=CC=C(C(O)=C1)C1=COC2=C(C(O)=C(CC=C(C)C)C(O)=C2)C1=O,"InChI=1S/C21H20O6/c1-11(2)4-6-14-17(23)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(26-3)8-16(13)22/h4-5,7-10,22-24H,6H2,1-3H3",STFVTZQCNYBLNE,UHFFFAOYSA,N,Gancaonin N,STFVTZQCNYBLNE-UHFFFAOYSA-N
HMDB38529,208.146329884,C13H20O2,CC12CCC3(O1)C(CO2)=CCCC3(C)C,"InChI=1S/C13H20O2/c1-11(2)6-4-5-10-9-14-12(3)7-8-13(10,11)15-12/h5H,4,6-9H2,1-3H3",AKKNWGRLXKHQDH,UHFFFAOYSA,N,"5,9:6,9-Diepoxy-4-megastigmene",AKKNWGRLXKHQDH-UHFFFAOYSA-N
HMDB38530,348.302830524,C23H40O2,CCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3",BBGNINPPDHJETF,UHFFFAOYSA,N,"5-Heptadecyl-1,3-benzenediol",BBGNINPPDHJETF-UHFFFAOYSA-N
HMDB38531,346.28718046,C23H38O2,CCCCCCCCCCCCCC\C=C\CC1=CC(O)=CC(O)=C1,"InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h15-16,18-20,24-25H,2-14,17H2,1H3/b16-15+",BPEIRDYFAYZUNF,FOCLMDBBSA,N,"5-(2-Heptadecenyl)-1,3-benzenediol",BPEIRDYFAYZUNF-FOCLMDBBSA-N
HMDB38532,346.28718046,C23H38O2,CCCCCC\C=C\CCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h7-8,18-20,24-25H,2-6,9-17H2,1H3/b8-7+",VBBLHZOJAWSCSP,BQYQJAHWSA,N,Irisresorcinol,VBBLHZOJAWSCSP-BQYQJAHWSA-N
HMDB38533,314.224580204,C21H30O2,OC1=CC(CCCCCCC\C=C\C\C=C\CC=C)=CC(O)=C1,"InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h2,4-5,7-8,16-18,22-23H,1,3,6,9-15H2/b5-4+,8-7+",OOXBEOHCOCMKAC,AOSYACOCSA,N,Cardoltriene,OOXBEOHCOCMKAC-AOSYACOCSA-N
HMDB38534,316.240230268,C21H32O2,CCC\C=C/C\C=C/CCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h4-5,7-8,16-18,22-23H,2-3,6,9-15H2,1H3/b5-4-,8-7-",UFMJCOLGRWKUKO,UTOQUPLUSA,N,"5-(8,11-Pentadecadienyl)-1,3-benzenediol",UFMJCOLGRWKUKO-UTOQUPLUSA-N
HMDB38535,542.251582814,C30H38O9,CC(C1CC(C)=C(C)C(=O)O1)C12OC1C(OC(C)=O)C1(O)C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC21C,"InChI=1S/C30H38O9/c1-13-11-19(37-25(34)14(13)2)15(3)29-24(39-29)23(36-16(4)31)28(35)18-12-22-30(38-22)21(33)8-7-20(32)27(30,6)17(18)9-10-26(28,29)5/h7-8,15,17-19,21-24,33,35H,9-12H2,1-6H3",VVQRJFUYBNCTQX,UHFFFAOYSA,N,Physagulin C,VVQRJFUYBNCTQX-UHFFFAOYSA-N
HMDB38536,772.746117694,C55H96O,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CO,"InChI=1S/C55H96O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h29,31,33,35,37,39,41,43,45-47,56H,13-28,30,32,34,36,38,40,42,44H2,1-12H3/b48-29+,49-31-,50-33-,51-35-,52-37+,53-39+,54-41+,55-43-",UXICBYIGXYAKQO,DGDFVRFVSA,N,Glycinoprenol 11,UXICBYIGXYAKQO-DGDFVRFVSA-N
HMDB38537,704.683517438,C50H88O,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CO,"InChI=1S/C50H88O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h27,29,31,33,35,37,39,41-43,51H,12-26,28,30,32,34,36,38,40H2,1-11H3/b44-27+,45-29-,46-31+,47-33+,48-35+,49-37+,50-39-",VXLKCFIDVJZHGS,GAZVJNJYSA,N,Glycinoprenol 10,VXLKCFIDVJZHGS-GAZVJNJYSA-N
HMDB38538,636.620917182,C45H80O,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CO,"InChI=1S/C45H80O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h25,27,29,31,33,35,37-39,46H,11-24,26,28,30,32,34,36H2,1-10H3/b40-25+,41-27-,42-29-,43-31-,44-33+,45-35+",FWVIPKAFIXXKIW,NSAJWJIGSA,N,Glycinoprenol 9,FWVIPKAFIXXKIW-NSAJWJIGSA-N
HMDB38539,484.303618384,C26H44O8,C\C(CCC1C(=C)CCC2C(C)(CO)C(O)CCC12C)=C/COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+",JAFZKPLEKRHFFD,XNTDXEJSSA,N,Goshonoside F1,JAFZKPLEKRHFFD-XNTDXEJSSA-N
HMDB38540,484.303618384,C26H44O8,C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC12C)=C/CO,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+",CWDBCXIAEGDANA,XNTDXEJSSA,N,Goshonoside F2,CWDBCXIAEGDANA-XNTDXEJSSA-N
HMDB38541,646.356441814,C32H54O13,C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC12C)=C/COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C32H54O13/c1-16(10-12-42-29-27(40)25(38)23(36)19(13-33)44-29)5-7-18-17(2)6-8-21-31(18,3)11-9-22(35)32(21,4)15-43-30-28(41)26(39)24(37)20(14-34)45-30/h10,18-30,33-41H,2,5-9,11-15H2,1,3-4H3/b16-10+",QIOMMMCQFIBVKA,MHWRWJLKSA,N,Goshonoside F5,QIOMMMCQFIBVKA-MHWRWJLKSA-N
HMDB38542,616.345877128,C31H52O12,C\C(CCC1C(=C)CCC2C(C)(CO)C(O)CCC12C)=C/COC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C31H52O12/c1-16(5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-33)10-12-40-28-27(39)25(37)24(36)20(43-28)14-41-29-26(38)23(35)19(13-32)42-29/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3/b16-10+",NUDLZKKCTSSWNM,MHWRWJLKSA,N,Goshonoside F6,NUDLZKKCTSSWNM-MHWRWJLKSA-N
HMDB38543,294.161979948,C20H22O2,COC1=CC(\C=C/C2=CC=CC=C2)=CC(O)=C1CC=C(C)C,"InChI=1S/C20H22O2/c1-15(2)9-12-18-19(21)13-17(14-20(18)22-3)11-10-16-7-5-4-6-8-16/h4-11,13-14,21H,12H2,1-3H3/b11-10-",MPDBOKIOROLWQP,KHPPLWFESA,N,Longistylin A,MPDBOKIOROLWQP-KHPPLWFESA-N
HMDB38544,278.167065326,C20H22O,COC1=C(CC=C(C)C)C=CC(\C=C/C2=CC=CC=C2)=C1,"InChI=1S/C20H22O/c1-16(2)9-13-19-14-12-18(15-20(19)21-3)11-10-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3/b11-10-",HPQIYBHUJSJOMV,KHPPLWFESA,N,Longistylin C,HPQIYBHUJSJOMV-KHPPLWFESA-N
HMDB38545,280.13107375,C15H20O5,CC1=C2C(CC3(C)OC3CCC3(C)OC3C2O)OC1=O,"InChI=1S/C15H20O5/c1-7-10-8(18-13(7)17)6-15(3)9(19-15)4-5-14(2)12(20-14)11(10)16/h8-9,11-12,16H,4-6H2,1-3H3",BWSYOMVQMMVGIN,UHFFFAOYSA,N,"(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide",BWSYOMVQMMVGIN-UHFFFAOYSA-N
HMDB38546,528.257062122,C26H40O11,CC12CCCC(C)(C1C(OC1OC(CO)C(O)C(O)C1O)OC2=O)C1CCC2CC1(CC2(O)CO)C=O,"InChI=1S/C26H40O11/c1-23(15-5-4-13-8-25(15,11-28)10-26(13,34)12-29)6-3-7-24(2)19(23)21(37-22(24)33)36-20-18(32)17(31)16(30)14(9-27)35-20/h11,13-21,27,29-32,34H,3-10,12H2,1-2H3",RNCYPVVUMUQCQI,UHFFFAOYSA,N,"ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside",RNCYPVVUMUQCQI-UHFFFAOYSA-N
HMDB38547,246.125594442,C15H18O3,CC(CC\C=C(/C)C=O)C1=CC(=O)C(C)=CC1=O,"InChI=1S/C15H18O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11H,4,6H2,1-3H3/b10-5+",RBVBEULSUHQTPE,BJMVGYQFSA,N,Glandulone A,RBVBEULSUHQTPE-BJMVGYQFSA-N
HMDB38548,244.109944378,C15H16O3,C\C(C=O)=C/C\C=C(/C)C1=CC(=O)C(C)=CC1=O,"InChI=1S/C15H16O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5-9H,4H2,1-3H3/b10-5+,11-6+",TUGXTSKUBLGSJF,YOYBCKCWSA,N,Glandulone B,TUGXTSKUBLGSJF-YOYBCKCWSA-N
HMDB38549,272.068473494,C15H12O5,COC1=CC(O)=C2C(O)=C3C(=O)OC(C)=CC3=CC2=C1,"InChI=1S/C15H12O5/c1-7-3-8-4-9-5-10(19-2)6-11(16)12(9)14(17)13(8)15(18)20-7/h3-6,16-17H,1-2H3",WEHXAEGTVPWKDY,UHFFFAOYSA,N,Toralactone,WEHXAEGTVPWKDY-UHFFFAOYSA-N
HMDB38550,596.174120354,C27H32O15,COC1=CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C2C(O)=C3C(=O)OC(C)=CC3=CC2=C1,"InChI=1S/C27H32O15/c1-9-3-10-4-11-5-12(37-2)6-13(16(11)20(31)17(10)25(36)39-9)40-27-24(35)22(33)19(30)15(42-27)8-38-26-23(34)21(32)18(29)14(7-28)41-26/h3-6,14-15,18-19,21-24,26-35H,7-8H2,1-2H3",GBGJNKYTLIUCMX,UHFFFAOYSA,N,Cassiaside C,GBGJNKYTLIUCMX-UHFFFAOYSA-N
HMDB38551,252.099773622,C13H16O5,COC(=O)\C=C\C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+",KLXHCGFNNUQTEY,AATRIKPKSA,N,"Methyl 3,4,5-trimethoxycinnamate",KLXHCGFNNUQTEY-AATRIKPKSA-N
HMDB38552,380.162373878,C23H24O5,CC(C)=CCC1=C(O)C2=C(OC3=C(C2=O)C(CC=C(C)C)=C(O)C=C3)C=C1O,"InChI=1S/C23H24O5/c1-12(2)5-7-14-16(24)9-10-18-20(14)23(27)21-19(28-18)11-17(25)15(22(21)26)8-6-13(3)4/h5-6,9-11,24-26H,7-8H2,1-4H3",XEWOBYXKXJFGNN,UHFFFAOYSA,N,6-Deoxy-gamma-mangostin,XEWOBYXKXJFGNN-UHFFFAOYSA-N
HMDB38553,290.093642386,C11H18N2O5S,C\C=C\SCC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,5,7-8H,3-4,6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b5-2+",MUFSTXJBHAEIBT,GORDUTHDSA,N,N-gamma-Glutamyl-S-(1-propenyl)cysteine,MUFSTXJBHAEIBT-GORDUTHDSA-N
HMDB38554,383.136887409,C21H21NO6,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(C)(O)COC(C)=O)C=C2O,"InChI=1S/C21H21NO6/c1-11(23)27-10-21(2,26)17-8-13-16(28-17)9-15(24)18-19(13)22(3)14-7-5-4-6-12(14)20(18)25/h4-7,9,17,24,26H,8,10H2,1-3H3",HPCOINMYMUXGLS,UHFFFAOYSA,N,Gravacridonediolacetate,HPCOINMYMUXGLS-UHFFFAOYSA-N
HMDB38555,330.240624198,C18H34O5,CCCCCC(O)C(O)\C=C\C(O)CCCCCCCC(O)=O,"InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+",MDIUMSLCYIJBQC,BUHFOSPRSA,N,"(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid",MDIUMSLCYIJBQC-BUHFOSPRSA-N
HMDB38556,116.029585568,C5H8OS,CC1SCCC1=O,"InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3",YMZZPMVKABUEBL,UHFFFAOYSA,N,xI-Dihydro-2-methyl-3(2H)-thiophenone,YMZZPMVKABUEBL-UHFFFAOYSA-N
HMDB38557,152.120115134,C10H16O,CC(C)=CC1CC(C)=CCO1,"InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3",FRISMOQHTLZZRP,UHFFFAOYSA,N,"xi-3,6-Dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran",FRISMOQHTLZZRP-UHFFFAOYSA-N
HMDB38558,466.220282686,C24H34O9,[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CCCC,"InChI=1S/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1",QXHICULSTMOREA,QYWOHJEZSA,N,8-Pentanoylneosolaniol,QXHICULSTMOREA-QYWOHJEZSA-N
HMDB38559,480.23593275,C25H36O9,[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CCCCC,"InChI=1S/C25H36O9/c1-6-7-8-9-19(28)33-17-11-24(12-30-15(3)26)18(10-14(17)2)34-22-20(29)21(32-16(4)27)23(24,5)25(22)13-31-25/h10,17-18,20-22,29H,6-9,11-13H2,1-5H3/t17-,18+,20+,21+,22+,23+,24+,25-/m0/s1",NTQOBLPQKXJXCZ,RKESYOIOSA,N,8-Hexanoylneosolaniol,NTQOBLPQKXJXCZ-RKESYOIOSA-N
HMDB38560,452.204632622,C23H32O9,[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CCC,"InChI=1S/C23H32O9/c1-6-7-17(26)31-15-9-22(10-28-13(3)24)16(8-12(15)2)32-20-18(27)19(30-14(4)25)21(22,5)23(20)11-29-23/h8,15-16,18-20,27H,6-7,9-11H2,1-5H3/t15-,16+,18+,19+,20+,21+,22+,23-/m0/s1",QAZLVSRKBUTUHB,MXINJKJASA,N,8-Butanoylneosolaniol,QAZLVSRKBUTUHB-MXINJKJASA-N
HMDB38561,452.204632622,C23H32O9,[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)C(C)C,"InChI=1S/C23H32O9/c1-11(2)20(27)31-15-8-22(9-28-13(4)24)16(7-12(15)3)32-19-17(26)18(30-14(5)25)21(22,6)23(19)10-29-23/h7,11,15-19,26H,8-10H2,1-6H3/t15-,16+,17+,18+,19+,21+,22+,23-/m0/s1",CZZOBJORBLRBLT,DSCHAYMESA,N,8-Isobutanoylneosolaniol,CZZOBJORBLRBLT-DSCHAYMESA-N
HMDB38562,438.188982558,C22H30O9,CCC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]32CO2)C=C1C,"InChI=1S/C22H30O9/c1-6-16(25)30-14-8-21(9-27-12(3)23)15(7-11(14)2)31-19-17(26)18(29-13(4)24)20(21,5)22(19)10-28-22/h7,14-15,17-19,26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1",ZSGWJLBSFZRJAT,MLXHEQMXSA,N,8-Propanoylneosolaniol,ZSGWJLBSFZRJAT-MLXHEQMXSA-N
HMDB38563,222.089208936,C12H14O4,COC1=CC(OC)=C(OC)C=C1\C=C/C=O,"InChI=1S/C12H14O4/c1-14-10-8-12(16-3)11(15-2)7-9(10)5-4-6-13/h4-8H,1-3H3/b5-4-",DNAVOCNYHNNEQI,PLNGDYQASA,N,"(Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal",DNAVOCNYHNNEQI-PLNGDYQASA-N
HMDB38564,572.382537406,C33H52N2O6,CC(C)CCCCCCCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O,"InChI=1S/C33H52N2O6/c1-23(2)16-14-12-10-8-6-7-9-11-13-15-17-30(39)40-22-25(35-24(3)36)20-27(37)26-18-19-29-31(32(26)34)28(38)21-33(4,5)41-29/h18-19,23,25H,6-17,20-22,34H2,1-5H3,(H,35,36)",PTECXARPZZIJIP,UHFFFAOYSA,N,3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone,PTECXARPZZIJIP-UHFFFAOYSA-N
HMDB38565,600.413837534,C35H56N2O6,CC(C)CCCCCCCCCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O,"InChI=1S/C35H56N2O6/c1-25(2)18-16-14-12-10-8-6-7-9-11-13-15-17-19-32(41)42-24-27(37-26(3)38)22-29(39)28-20-21-31-33(34(28)36)30(40)23-35(4,5)43-31/h20-21,25,27H,6-19,22-24,36H2,1-5H3,(H,37,38)",NQLASHIWANSPGZ,UHFFFAOYSA,N,3'-N-Acetyl-4'-O-(14-methylheptadecanoyl)fusarochromanone,NQLASHIWANSPGZ-UHFFFAOYSA-N
HMDB38566,596.382537406,C35H52N2O6,CCCCC\C=C\C=C\CCCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O,"InChI=1S/C35H52N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(41)42-25-27(37-26(2)38)23-29(39)28-21-22-31-33(34(28)36)30(40)24-35(3,4)43-31/h9-12,21-22,27H,5-8,13-20,23-25,36H2,1-4H3,(H,37,38)/b10-9+,12-11+",MCIFNOLGPRTLRK,HULFFUFUSA,N,"3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone",MCIFNOLGPRTLRK-HULFFUFUSA-N
HMDB38567,598.39818747,C35H54N2O6,CCCCCCCC\C=C\CCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O,"InChI=1S/C35H54N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(41)42-25-27(37-26(2)38)23-29(39)28-21-22-31-33(34(28)36)30(40)24-35(3,4)43-31/h12-13,21-22,27H,5-11,14-20,23-25,36H2,1-4H3,(H,37,38)/b13-12+",WJXUBXRBIJRVSJ,OUKQBFOZSA,N,3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone,WJXUBXRBIJRVSJ-OUKQBFOZSA-N
HMDB38568,421.261693991,C27H35NO3,[H][C@]12CC3=C(NC4=C3C=CC=C4)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@H]([C@H](O)C=C3C1CC2)C(C)(C)O,"InChI=1S/C27H35NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,21-22,24,28-30H,9-13H2,1-4H3/t15-,19?,21+,22-,24-,26-,27+/m0/s1",FROHWGGMFSFTTA,QBCJVXSESA,N,PC-M6,FROHWGGMFSFTTA-QBCJVXSESA-N
HMDB38569,479.267173299,C29H37NO5,[H][C@]12CC3=C(NC4=C3C=CC=C4)[C@]1(C)[C@@]1(C)CC[C@@H]3O[C@@H]([C@H](OC(C)=O)C=C3[C@]1(O)CC2)C(C)(C)O,"InChI=1S/C29H37NO5/c1-16(31)34-23-15-20-22(35-25(23)26(2,3)32)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,22-23,25,30,32-33H,10-14H2,1-5H3/t17-,22-,23+,25-,27+,28+,29+/m0/s1",IMABPJDBODVJSN,HKZMUHMQSA,N,PC-M5',IMABPJDBODVJSN-HKZMUHMQSA-N
HMDB38570,250.023454332,C11H10N2OS2,CS(=O)C1=NCC2=C(NC3=CC=CC=C23)S1,"InChI=1S/C11H10N2OS2/c1-16(14)11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3",YUXKTUVIOWXKPA,UHFFFAOYSA,N,Cyclobrassinin sulfoxide,YUXKTUVIOWXKPA-UHFFFAOYSA-N
HMDB38571,252.089877638,C15H12N2O2,COC1=CC=C(C=C1)C1=CN=C(O1)C1=CN=CC=C1,"InChI=1S/C15H12N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-15(19-14)12-3-2-8-16-9-12/h2-10H,1H3",LHPXYPROPRFEQE,UHFFFAOYSA,N,Methylhalfordinol,LHPXYPROPRFEQE-UHFFFAOYSA-N
HMDB38572,316.058302738,C16H12O7,COC1=C(O)C2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C=C1,"InChI=1S/C16H12O7/c1-22-10-6-9(18)11-13(20)14(21)15(23-16(11)12(10)19)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",VRODWQGSCHPDJK,UHFFFAOYSA,N,Pollenitin,VRODWQGSCHPDJK-UHFFFAOYSA-N
HMDB38573,263.131014171,C18H17NO,CN(\C=C\C1=CC=CC=C1)C(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14+",VJGRWRRIAJQNFU,SQIWNDBBSA,N,Lansiumamide B,VJGRWRRIAJQNFU-SQIWNDBBSA-N
HMDB38574,249.115364107,C17H15NO,O=C(N\C=C/C1=CC=CC=C1)\C=C\C1=CC=CC=C1,"InChI=1S/C17H15NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1-14H,(H,18,19)/b12-11+,14-13-",DAZFHZLCFLDNPG,WCYNZMGESA,N,Lansiumamide A,DAZFHZLCFLDNPG-WCYNZMGESA-N
HMDB38575,329.089937217,C17H15NO6,COC1=C(O)C=CC(\C=C\C(=O)NC2=CC=C(O)C=C2C(O)=O)=C1,"InChI=1S/C17H15NO6/c1-24-15-8-10(2-6-14(15)20)3-7-16(21)18-13-5-4-11(19)9-12(13)17(22)23/h2-9,19-20H,1H3,(H,18,21)(H,22,23)/b7-3+",JXFZHMCSCYADIX,XVNBXDOJSA,N,(Z)-N-Feruloyl-5-hydroxyanthranilic acid,JXFZHMCSCYADIX-XVNBXDOJSA-N
HMDB38576,315.074287153,C16H13NO6,OC(=O)C1=CC(O)=CC=C1NC(=O)\C=C\C1=CC(O)=C(O)C=C1,"InChI=1S/C16H13NO6/c18-10-3-4-12(11(8-10)16(22)23)17-15(21)6-2-9-1-5-13(19)14(20)7-9/h1-8,18-20H,(H,17,21)(H,22,23)/b6-2+",IDUUXROOZBOOPH,QHHAFSJGSA,N,Avenanthramide C,IDUUXROOZBOOPH-QHHAFSJGSA-N
HMDB38577,299.079372531,C16H13NO5,OC(=O)C1=CC(O)=CC=C1NC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-7-6-12(19)9-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+",QGUMNWHANDITDB,FPYGCLRLSA,N,(Z)-N-Coumaroyl-5-hydroxyanthranilic acid,QGUMNWHANDITDB-FPYGCLRLSA-N
HMDB38578,892.535313332,C55H72MgN4O5,CCC1=C(C)C2=[N]3C1=CC1=C(C)C4=C5N1[Mg]31N3C(=CC6=[N]1C(C(CCC(=O)OC\C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C6C)=C5C(C(=O)OC)C4=O)C(C)=C(C=C)C3=C2,"InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26-;",ATNHDLDRLWWWCB,NOEFFRSSSA,M,Chlorophyll a,ATNHDLDRLWWWCB-NOEFFRSSSA-M
HMDB38580,324.193674006,C18H28O5,OCC\C=C\C(\O)=C\C(=O)C\C=C\CCCCCCCC(O)=O,"InChI=1S/C18H28O5/c19-14-10-9-12-17(21)15-16(20)11-7-5-3-1-2-4-6-8-13-18(22)23/h5,7,9,12,15,19,21H,1-4,6,8,10-11,13-14H2,(H,22,23)/b7-5+,12-9+,17-15-",LFTUCYCUYUJMJB,HNBCEUTISA,N,Cibaric acid,LFTUCYCUYUJMJB-HNBCEUTISA-N
HMDB38581,411.179420925,C22H25N3O5,COC1=CC2=C(C=C1)C1=C(N2)C(C=C(C)C)N2C(=O)C3CCCN3C(=O)C2(O)C1O,"InChI=1S/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3",CPHRCQUGNAGVIB,UHFFFAOYSA,N,Dihydroxyfumitremorgin C,CPHRCQUGNAGVIB-UHFFFAOYSA-N
HMDB38582,307.141972787,C16H21NO5,COCC(O)CC(=O)C1=C(N)C2=C(OC(C)(C)CC2=O)C=C1,"InChI=1S/C16H21NO5/c1-16(2)7-12(20)14-13(22-16)5-4-10(15(14)17)11(19)6-9(18)8-21-3/h4-5,9,18H,6-8,17H2,1-3H3",NOROKJIAOJKYOE,UHFFFAOYSA,N,"5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one",NOROKJIAOJKYOE-UHFFFAOYSA-N
HMDB38583,295.084457909,C17H13NO4,COC1=C(OC)C(O)=C2C3=C1C(=O)NC3=CC1=CC=CC=C21,"InChI=1S/C17H13NO4/c1-21-15-13-12-10(18-17(13)20)7-8-5-3-4-6-9(8)11(12)14(19)16(15)22-2/h3-7,19H,1-2H3,(H,18,20)",PHKYZFGDNGACRM,UHFFFAOYSA,N,Piperolactam D,PHKYZFGDNGACRM-UHFFFAOYSA-N
HMDB38584,309.100107973,C18H15NO4,COC1=C(OC)C(OC)=C2C3=C1C(=O)NC3=CC1=CC=CC=C21,"InChI=1S/C18H15NO4/c1-21-15-12-10-7-5-4-6-9(10)8-11-13(12)14(18(20)19-11)16(22-2)17(15)23-3/h4-8H,1-3H3,(H,19,20)",GYYIMUXZCUHECT,UHFFFAOYSA,N,Piperolactam C,GYYIMUXZCUHECT-UHFFFAOYSA-N
HMDB38585,608.252251516,C36H36N2O7,[H][C@]1(C[C@@]23[C@H]4OC5=C2C(C[C@@H](N1C)C3=CC=C4OC)=CC=C5OC)C1=C[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3C)[C@@H](O5)C1=O,"InChI=1S/C36H36N2O7/c1-37-12-11-35-28-18-5-8-23(39)30(28)44-33(35)29(40)19(15-36(35,41)26(37)14-18)22-16-34-20-7-10-25(43-4)32(34)45-31-24(42-3)9-6-17(27(31)34)13-21(20)38(22)2/h5-10,15,21-22,26,32-33,39,41H,11-14,16H2,1-4H3/t21-,22+,26-,32+,33+,34+,35+,36-/m1/s1",JQGBUIZIHWUPHT,CSVNJIPGSA,N,Somniferine,JQGBUIZIHWUPHT-CSVNJIPGSA-N
HMDB38586,622.26790158,C37H38N2O7,COC1=CC=C2[C@H]3CC4=CC=C(OC)C5=C4[C@@]2(C[C@H](N3C)C2=C[C@@]3(O)[C@H]4CC6=CC=C(OC)C7=C6[C@@]3(CCN4C)[C@@H](O7)C2=O)[C@H]1O5,"InChI=1S/C37H38N2O7/c1-38-13-12-36-29-19-7-10-25(43-4)32(29)46-34(36)30(40)20(16-37(36,41)27(38)15-19)23-17-35-21-8-11-26(44-5)33(35)45-31-24(42-3)9-6-18(28(31)35)14-22(21)39(23)2/h6-11,16,22-23,27,33-34,41H,12-15,17H2,1-5H3/t22-,23+,27-,33+,34+,35+,36+,37-/m1/s1",ZBLRQFTWSKSLFD,LKNBYEBDSA,N,O-Methylsomniferine,ZBLRQFTWSKSLFD-LKNBYEBDSA-N
HMDB38587,419.246043927,C27H33NO3,COC1=C(C\C=C(\C)CCC=C(C)C)C(O)=C2C(=O)N(CCC3=CC=CC=C3)CC2=C1,"InChI=1S/C27H33NO3/c1-19(2)9-8-10-20(3)13-14-23-24(31-4)17-22-18-28(27(30)25(22)26(23)29)16-15-21-11-6-5-7-12-21/h5-7,9,11-13,17,29H,8,10,14-16,18H2,1-4H3/b20-13-",ULSKNVPXNYBAQZ,MOSHPQCFSA,N,Hericerin,ULSKNVPXNYBAQZ-MOSHPQCFSA-N
HMDB38588,241.167793607,C13H23NO3,CC(CC(O)=O)CC1(O)CC2CCC1CN2C,"InChI=1S/C13H23NO3/c1-9(5-12(15)16)6-13(17)7-11-4-3-10(13)8-14(11)2/h9-11,17H,3-8H2,1-2H3,(H,15,16)",YWVYEZNFPRWGMM,UHFFFAOYSA,N,Dioscoretine,YWVYEZNFPRWGMM-UHFFFAOYSA-N
HMDB38589,223.030313849,C10H9NO3S,COS(=O)C1=C(C=O)C2=CC=CC=C2N1,"InChI=1S/C10H9NO3S/c1-14-15(13)10-8(6-12)7-4-2-3-5-9(7)11-10/h2-6,11H,1H3",OWWULYVDNVCJLP,UHFFFAOYSA,N,Brassicanal C,OWWULYVDNVCJLP-UHFFFAOYSA-N
HMDB38590,355.141972787,C20H21NO5,COC1=C(O)C=CC2=C1N(C)C1=CC(O)=C(CC=C(C)C)C(O)=C1C2=O,"InChI=1S/C20H21NO5/c1-10(2)5-6-11-15(23)9-13-16(18(11)24)19(25)12-7-8-14(22)20(26-4)17(12)21(13)3/h5,7-9,22-24H,6H2,1-4H3",XUUGIWDILRFFER,UHFFFAOYSA,N,Buntanine,XUUGIWDILRFFER-UHFFFAOYSA-N
HMDB38591,177.024834541,C9H7NOS,SC1=C(C=O)C2=CC=CC=C2N1,"InChI=1S/C9H7NOS/c11-5-7-6-3-1-2-4-8(6)10-9(7)12/h1-5,10,12H",ITVZJCAUYSGPDZ,UHFFFAOYSA,N,Brassicanal A,ITVZJCAUYSGPDZ-UHFFFAOYSA-N
HMDB38592,233.051049291,C12H11NO2S,CC1(O)CSC2=C(C=O)C3=CC=CC=C3N12,"InChI=1S/C12H11NO2S/c1-12(15)7-16-11-9(6-14)8-4-2-3-5-10(8)13(11)12/h2-6,15H,7H2,1H3",ZIEFIDANMCIAOW,UHFFFAOYSA,N,Brassicanal B,ZIEFIDANMCIAOW-UHFFFAOYSA-N
HMDB38593,159.089543287,C7H13NO3,OC1CC2CCC(O)(N2)C1O,"InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2",XOCBOVUINUHZJA,UHFFFAOYSA,N,Calystegin A3,XOCBOVUINUHZJA-UHFFFAOYSA-N
HMDB38594,175.084457909,C7H13NO4,OC1C2CCC(O)(N2)C(O)C1O,"InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2",FXFBVZOJVHCEDO,UHFFFAOYSA,N,Calystegine B2,FXFBVZOJVHCEDO-UHFFFAOYSA-N
HMDB38595,326.16304258,C19H22N2O3,CCC12CN=C(O)C(C1)OC(=O)CC1=C(CC2)NC2=CC=CC=C12,"InChI=1S/C19H22N2O3/c1-2-19-8-7-15-13(12-5-3-4-6-14(12)21-15)9-17(22)24-16(10-19)18(23)20-11-19/h3-6,16,21H,2,7-11H2,1H3,(H,20,23)",YUPRHHFLOLUPFG,UHFFFAOYSA,N,Alkaloid AQC2,YUPRHHFLOLUPFG-UHFFFAOYSA-N
HMDB38596,331.214743799,C20H29NO3,CC1CCC2C1C(=O)OC(C2C)N1C=C(C)C2CCC(C)C2C1=O,"InChI=1S/C20H29NO3/c1-10-5-7-14-12(3)9-21(18(22)16(10)14)19-13(4)15-8-6-11(2)17(15)20(23)24-19/h9-11,13-17,19H,5-8H2,1-4H3",QTRZXLVUEGDULY,UHFFFAOYSA,N,"2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam",QTRZXLVUEGDULY-UHFFFAOYSA-N
HMDB38597,165.115364107,C10H15NO,CC1CCC2C1C(=O)NC=C2C,"InChI=1S/C10H15NO/c1-6-3-4-8-7(2)5-11-10(12)9(6)8/h5-6,8-9H,3-4H2,1-2H3,(H,11,12)",UFGRADREDASLJW,UHFFFAOYSA,N,Nepetalactam,UFGRADREDASLJW-UHFFFAOYSA-N
HMDB38598,459.152931403,C23H25NO9,COC1=C(OC)C(C(O)=O)=C(C=C1)C(=O)C(=O)C1=C(OC)C2=C(OCO2)C=C1CCN(C)C,"InChI=1S/C23H25NO9/c1-24(2)9-8-12-10-15-21(33-11-32-15)22(31-5)16(12)19(26)18(25)13-6-7-14(29-3)20(30-4)17(13)23(27)28/h6-7,10H,8-9,11H2,1-5H3,(H,27,28)",HXFMRYFLZVSZMP,UHFFFAOYSA,N,Narceinone,HXFMRYFLZVSZMP-UHFFFAOYSA-N
HMDB38599,513.178752223,C30H27NO7,COC1=CC2=C(C=CC(=O)O2)C=C1C(C=C(C)C)C1=C(O)C2=C(C=C1OC)N(C)C1=C(C=CC=C1O)C2=O,"InChI=1S/C30H27NO7/c1-15(2)11-19(18-12-16-9-10-25(33)38-22(16)14-23(18)36-4)26-24(37-5)13-20-27(30(26)35)29(34)17-7-6-8-21(32)28(17)31(20)3/h6-14,19,32,35H,1-5H3",LUTVFOXEXBZKQE,UHFFFAOYSA,N,Acrimarine H,LUTVFOXEXBZKQE-UHFFFAOYSA-N
HMDB38600,408.142032366,C20H24O9,COC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1,"InChI=1S/C20H24O9/c1-8-4-10-5-11(27-3)6-12(15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3",GHKWPHRULCFTBB,UHFFFAOYSA,N,Torachrysone 8-glucoside,GHKWPHRULCFTBB-UHFFFAOYSA-N
HMDB38601,172.073558872,C8H12O4,CCOC(=O)\C=C/C(=O)OCC,"InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-",IEPRKVQEAMIZSS,WAYWQWQTSA,N,Diethyl fumarate,IEPRKVQEAMIZSS-WAYWQWQTSA-N
HMDB38602,172.146329884,C10H20O2,CCCCCCCCOC(C)=O,"InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3",YLYBTZIQSIBWLI,UHFFFAOYSA,N,Octyl acetate,YLYBTZIQSIBWLI-UHFFFAOYSA-N
HMDB38603,158.13067982,C9H18O2,CCCCCCCCOC=O,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3",AVBRYQRTMPHARE,UHFFFAOYSA,N,Octyl formate,AVBRYQRTMPHARE-UHFFFAOYSA-N
HMDB38604,208.109944378,C12H16O3,CCCCCOC(=O)C1=CC=CC=C1O,"InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3",RANVDUNFZBMTBK,UHFFFAOYSA,N,Amyl salicylate,RANVDUNFZBMTBK-UHFFFAOYSA-N
HMDB38605,206.13067982,C13H18O2,CCCCCOC(=O)CC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3",LRVLBFSVAFUOGO,UHFFFAOYSA,N,Amyl phenylacetate,LRVLBFSVAFUOGO-UHFFFAOYSA-N
HMDB38606,1268.60372711,C59H96O29,CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O,"InChI=1S/C59H96O29/c1-54(2)16-23-22-8-9-29-56(4)12-11-30(83-53-45(38(72)37(71)43(85-53)48(77)78)87-52-44(36(70)33(67)27(19-62)82-52)86-51-40(74)35(69)32(66)26(18-61)81-51)57(5,21-63)28(56)10-13-59(29,7)58(22,6)15-14-55(23,3)47(46(54)76)88-49-41(75)42(24(64)20-79-49)84-50-39(73)34(68)31(65)25(17-60)80-50/h8,23-47,49-53,60-76H,9-21H2,1-7H3,(H,77,78)",XFXHYKZIZSNVSQ,UHFFFAOYSA,N,Soyasaponin A1,XFXHYKZIZSNVSQ-UHFFFAOYSA-N
HMDB38607,1106.55090368,C53H86O24,CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O,"InChI=1S/C53H86O24/c1-48(2)16-22-21-8-9-27-50(4)12-11-28(73-47-40(34(63)33(62)39(75-47)43(68)69)76-46-36(65)32(61)30(59)25(18-55)72-46)51(5,20-56)26(50)10-13-53(27,7)52(21,6)15-14-49(22,3)42(41(48)67)77-44-37(66)38(23(57)19-70-44)74-45-35(64)31(60)29(58)24(17-54)71-45/h8,22-42,44-47,54-67H,9-20H2,1-7H3,(H,68,69)",QSWYVJWAKZGGIL,UHFFFAOYSA,N,Soyasaponin A2,QSWYVJWAKZGGIL-UHFFFAOYSA-N
HMDB38608,958.513730314,C48H78O19,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)C(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C48H78O19/c1-20-27(51)29(53)33(57)40(62-20)66-35-30(54)28(52)23(18-49)63-41(35)67-36-32(56)31(55)34(39(60)61)65-42(36)64-26-12-13-45(5)24(46(26,6)19-50)11-14-48(8)25(45)10-9-21-22-17-43(2,3)37(58)38(59)44(22,4)15-16-47(21,48)7/h9,20,22-38,40-42,49-59H,10-19H2,1-8H3,(H,60,61)",NQGDGFITHGCDAO,UHFFFAOYSA,N,Soyasaponin A3,NQGDGFITHGCDAO-UHFFFAOYSA-N
HMDB38609,510.21011193,C25H34O11,CC12C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)C45CC(=C)C(O)(C4)CCC5C3(CCC1O)OC2=O,"InChI=1S/C25H34O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(27)22(2,21(32)36-25)18(25)14(23)19(31)35-20-17(30)16(29)15(28)11(8-26)34-20/h11-18,20,26-30,33H,1,3-9H2,2H3",YNUHPGJFLBSPMR,UHFFFAOYSA,N,Gibberellin A1 glucosyl ester,YNUHPGJFLBSPMR-UHFFFAOYSA-N
HMDB38610,494.215197308,C25H34O10,CC12C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)C45CC(CCC4C3(CCC1O)OC2=O)C(=C)C5,"InChI=1S/C25H34O10/c1-10-7-24-8-11(10)3-4-13(24)25-6-5-14(27)23(2,22(32)35-25)19(25)15(24)20(31)34-21-18(30)17(29)16(28)12(9-26)33-21/h11-19,21,26-30H,1,3-9H2,2H3",WAJNZXFSVANOAB,UHFFFAOYSA,N,Gibberellin A4 glucosyl ester,WAJNZXFSVANOAB-UHFFFAOYSA-N
HMDB38611,508.230847372,C26H36O10,CC12C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)C45CC(CCC4C3(CCC1O)COC2=O)C(=C)C5,"InChI=1S/C26H36O10/c1-11-7-26-8-12(11)3-4-14(26)25-6-5-15(28)24(2,23(33)34-10-25)20(25)16(26)21(32)36-22-19(31)18(30)17(29)13(9-27)35-22/h12-20,22,27-31H,1,3-10H2,2H3",BQKJRWQLMRWZET,UHFFFAOYSA,N,Gibberellin A37 glucosyl ester,BQKJRWQLMRWZET-UHFFFAOYSA-N
HMDB38612,780.465992262,C42H68O13,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1,"InChI=1S/C42H68O13/c1-37(2)17-21-20-9-10-24-40(6)13-12-26(38(3,4)23(40)11-14-42(24,8)41(20,7)16-15-39(21,5)25(44)18-37)53-36-33(30(48)29(47)32(54-36)34(50)51)55-35-31(49)28(46)27(45)22(19-43)52-35/h9,21-33,35-36,43-49H,10-19H2,1-8H3,(H,50,51)",PPWWANBMWAQXLQ,UHFFFAOYSA,N,Azukisaponin I,PPWWANBMWAQXLQ-UHFFFAOYSA-N
HMDB38613,294.088557008,C10H18N2O6S,CS(=O)CCC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C10H18N2O6S/c1-19(18)5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)",NEVSWSOSRAOCGK,UHFFFAOYSA,N,gamma-L-Glutamyl-L-methionine sulfoxide,NEVSWSOSRAOCGK-UHFFFAOYSA-N
HMDB38614,258.121571696,C11H18N2O5,NC(CCC(=O)N1CCCCC1C(O)=O)C(O)=O,"InChI=1S/C11H18N2O5/c12-7(10(15)16)4-5-9(14)13-6-2-1-3-8(13)11(17)18/h7-8H,1-6,12H2,(H,15,16)(H,17,18)",MNEBDCWSYIPUDZ,UHFFFAOYSA,N,gamma-L-Glutamyl-L-pipecolic acid,MNEBDCWSYIPUDZ-UHFFFAOYSA-N
HMDB38615,1064.540338994,C51H84O23,CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C51H84O23/c1-20(18-66-45-41(62)38(59)34(55)29(16-52)70-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)69-47-43(64)39(60)36(57)31(72-47)19-67-48-44(40(61)35(56)30(17-53)71-48)73-46-42(63)37(58)33(54)22(3)68-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3",BHXVNJJNKMZPQB,UHFFFAOYSA,N,Trigofoenoside F,BHXVNJJNKMZPQB-UHFFFAOYSA-N
HMDB38616,1196.582597738,C56H92O27,CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C56H92O27/c1-21(18-73-49-43(68)40(65)37(62)31(16-57)78-49)8-13-56(72)22(2)34-30(83-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)77-52-45(70)41(66)38(63)33(80-52)20-75-53-48(82-51-44(69)39(64)35(60)23(3)76-51)46(71)47(32(17-58)79-53)81-50-42(67)36(61)29(59)19-74-50/h6,21-23,25-53,57-72H,7-20H2,1-5H3",BTKYWGCMCQREJD,UHFFFAOYSA,N,Trigofoenoside G,BTKYWGCMCQREJD-UHFFFAOYSA-N
HMDB38617,1048.545424372,C51H84O22,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OCC(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O,"InChI=1S/C51H84O22/c1-21(19-65-45-40(61)38(59)36(57)31(17-52)69-45)9-14-51(64-6)22(2)33-30(73-51)16-28-26-8-7-24-15-25(10-12-49(24,4)27(26)11-13-50(28,33)5)68-48-44(72-47-41(62)37(58)34(55)23(3)67-47)42(63)43(32(18-53)70-48)71-46-39(60)35(56)29(54)20-66-46/h7,21-23,25-48,52-63H,8-20H2,1-6H3",OGDZMTXQECKLNF,UHFFFAOYSA,N,Trigofoenoside E1,OGDZMTXQECKLNF-UHFFFAOYSA-N
HMDB38618,393.230393863,C25H31NO3,CC(C)=CCC(O)C(\C)=C\COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1,"InChI=1S/C25H31NO3/c1-19(2)9-14-24(27)20(3)16-18-29-23-12-10-21(11-13-23)15-17-26-25(28)22-7-5-4-6-8-22/h4-13,16,24,27H,14-15,17-18H2,1-3H3,(H,26,28)/b20-16+",FDTDKBQVKSHHIE,CAPFRKAQSA,N,Acidissiminol,FDTDKBQVKSHHIE-CAPFRKAQSA-N
HMDB38619,659.491359573,C43H65NO4,CCCCCCCCCCCCCCCCCC(=O)OC(CC=C(C)C)C(\C)=C\COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1,"InChI=1S/C43H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-42(45)48-41(31-26-36(2)3)37(4)33-35-47-40-29-27-38(28-30-40)32-34-44-43(46)39-23-20-19-21-24-39/h19-21,23-24,26-30,33,41H,5-18,22,25,31-32,34-35H2,1-4H3,(H,44,46)/b37-33+",AKRJIIVORCSJLA,LAWMERGMSA,N,Acidissiminin,AKRJIIVORCSJLA-LAWMERGMSA-N
HMDB38620,675.486274195,C43H65NO5,CCCCCCCCCCCCCCCCCC(=O)OC(CC1OC1(C)C)C(\C)=C\COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1,"InChI=1S/C43H65NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41(45)48-39(34-40-43(3,4)49-40)35(2)31-33-47-38-28-26-36(27-29-38)30-32-44-42(46)37-23-20-19-21-24-37/h19-21,23-24,26-29,31,39-40H,5-18,22,25,30,32-34H2,1-4H3,(H,44,46)/b35-31+",HFHPIKRMXPBEKX,JSLDZMDGSA,N,Acidissiminin epoxide,HFHPIKRMXPBEKX-JSLDZMDGSA-N
HMDB38621,279.125928793,C18H17NO2,CN1\C=C/C2=CC=CC=C2C(C(O)C1=O)C1=CC=CC=C1,"InChI=1S/C18H17NO2/c1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-12,16-17,20H,1H3/b12-11-",VRSSZILNAITUII,QXMHVHEDSA,N,z-Clausenamide,VRSSZILNAITUII-QXMHVHEDSA-N
HMDB38622,826.435086064,C42H66O16,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H66O16/c1-37(2)11-13-42(36(54)58-34-31(51)29(49)27(47)23(18-44)56-34)14-12-39(4)19(20(42)15-37)7-8-24-38(3)16-21(45)32(41(6,35(52)53)25(38)9-10-40(24,39)5)57-33-30(50)28(48)26(46)22(17-43)55-33/h7,20-34,43-51H,8-18H2,1-6H3,(H,52,53)",LFWLYNKBYSIXAH,UHFFFAOYSA,N,Medicoside G,LFWLYNKBYSIXAH-UHFFFAOYSA-N
HMDB38623,1134.545818302,C54H86O25,CC12CCC(C)(CC1C1=CCC3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C54H86O25/c1-49-13-14-50(2,48(71)79-46-40(68)35(63)32(60)26(75-46)20-72-44-38(66)33(61)30(58)24(18-55)73-44)17-23(49)22-7-8-28-51(3)11-10-29(52(4,21-57)27(51)9-12-54(28,6)53(22,5)16-15-49)76-47-42(37(65)36(64)41(77-47)43(69)70)78-45-39(67)34(62)31(59)25(19-56)74-45/h7,23-42,44-47,55-68H,8-21H2,1-6H3,(H,69,70)",YRJVEPWBEBAMTP,UHFFFAOYSA,N,Azukisaponin VI,YRJVEPWBEBAMTP-UHFFFAOYSA-N
HMDB38624,99.014269855,C4H5NS,N#CCC1CS1,"InChI=1S/C4H5NS/c5-2-1-4-3-6-4/h4H,1,3H2",BKIZJNMVTRYGSW,UHFFFAOYSA,N,Thiiraneacetonitrile,BKIZJNMVTRYGSW-UHFFFAOYSA-N
HMDB38625,159.089543287,C7H13NO3,OCCCN1CCC1C(O)=O,"InChI=1S/C7H13NO3/c9-5-1-3-8-4-2-6(8)7(10)11/h6,9H,1-5H2,(H,10,11)",ROVDTLLPFWAZJC,UHFFFAOYSA,N,Medicanine,ROVDTLLPFWAZJC-UHFFFAOYSA-N
HMDB38626,364.07943211,C17H16O9,OCC1OC(OC2=C3OC(=O)C=CC3=CC3=C2OC=C3)C(O)C(O)C1O,"InChI=1S/C17H16O9/c18-6-9-11(20)12(21)13(22)17(24-9)26-16-14-8(3-4-23-14)5-7-1-2-10(19)25-15(7)16/h1-5,9,11-13,17-18,20-22H,6H2",CXQMYXUCGMYFCD,UHFFFAOYSA,N,Xanthotoxol glucoside,CXQMYXUCGMYFCD-UHFFFAOYSA-N
HMDB38627,240.099773622,C12H16O5,CCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3",UEOFNBCUGJADBM,UHFFFAOYSA,N,"Ethyl 3,4,5-trimethoxybenzoate",UEOFNBCUGJADBM-UHFFFAOYSA-N
HMDB38628,175.063328537,C10H9NO2,OCC(=O)C1=CNC2=CC=CC=C12,"InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,11-12H,6H2",IBLZDDPFMAFWKP,UHFFFAOYSA,N,Hydroxymethyl indol-3-yl ketone,IBLZDDPFMAFWKP-UHFFFAOYSA-N
HMDB38629,339.147058165,C20H21NO4,COC1=C(O)C=C2C=CC3=C4CCN(C)CC4=C(O)C(OC)=C3C2=C1,"InChI=1S/C20H21NO4/c1-21-7-6-12-13-5-4-11-8-16(22)17(24-2)9-14(11)18(13)20(25-3)19(23)15(12)10-21/h4-5,8-9,22-23H,6-7,10H2,1-3H3",QOWFEPGZJDCIKG,UHFFFAOYSA,N,Litebamine,QOWFEPGZJDCIKG-UHFFFAOYSA-N
HMDB38630,383.158016781,C18H25NO8,CCOC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1,"InChI=1S/C18H25NO8/c1-4-24-18(23)19-9-12-5-7-13(8-6-12)27-17-15(22)14(21)16(10(2)25-17)26-11(3)20/h5-8,10,14-17,21-22H,4,9H2,1-3H3,(H,19,23)",VMTHKXYSTHHGCH,UHFFFAOYSA,N,Niazimin A,VMTHKXYSTHHGCH-UHFFFAOYSA-N
HMDB38631,200.040818956,C11H8N2S,N1C=C(C2=NC=CS2)C2=CC=CC=C12,"InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H",IYODIJVWGPRBGQ,UHFFFAOYSA,N,Camalexin,IYODIJVWGPRBGQ-UHFFFAOYSA-N
HMDB38632,230.051383642,C12H10N2OS,COC1=CC2=C(C=C1)C(=CN2)C1=NC=CS1,"InChI=1S/C12H10N2OS/c1-15-8-2-3-9-10(7-14-11(9)6-8)12-13-4-5-16-12/h2-7,14H,1H3",FGXYYCWDPYDAOS,UHFFFAOYSA,N,6-Methoxy-3-(2-thiazolyl)-1H-indole,FGXYYCWDPYDAOS-UHFFFAOYSA-N
HMDB38633,188.05857751,C10H8N2O2,OC1(CC#N)C(=O)NC2=C1C=CC=C2,"InChI=1S/C10H8N2O2/c11-6-5-10(14)7-3-1-2-4-8(7)12-9(10)13/h1-4,14H,5H2,(H,12,13)",IXOBWMNTICTXOJ,UHFFFAOYSA,N,(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one,IXOBWMNTICTXOJ-UHFFFAOYSA-N
HMDB38634,268.034019018,C11H12N2O2S2,CSC(=S)NCC1(O)C(=O)NC2=C1C=CC=C2,"InChI=1S/C11H12N2O2S2/c1-17-10(16)12-6-11(15)7-4-2-3-5-8(7)13-9(11)14/h2-5,15H,6H2,1H3,(H,12,16)(H,13,14)",DXLDPLVGKCAHPY,UHFFFAOYSA,N,(-)-Dioxibrassinin,DXLDPLVGKCAHPY-UHFFFAOYSA-N
HMDB38635,280.070404524,C13H16N2OS2,CON1C=C(CN=C(SC)SC)C2=CC=CC=C12,"InChI=1S/C13H16N2OS2/c1-16-15-9-10(8-14-13(17-2)18-3)11-6-4-5-7-12(11)15/h4-7,9H,8H2,1-3H3",GQIAOJZSWXEICD,UHFFFAOYSA,N,Methoxybrassenin A,GQIAOJZSWXEICD-UHFFFAOYSA-N
HMDB38636,294.049669082,C13H14N2O2S2,CON1C=C(C(=O)N=C(SC)SC)C2=CC=CC=C12,"InChI=1S/C13H14N2O2S2/c1-17-15-8-10(9-6-4-5-7-11(9)15)12(16)14-13(18-2)19-3/h4-8H,1-3H3",NFGCTENDKLNJTI,UHFFFAOYSA,N,Methoxybrassenin B,NFGCTENDKLNJTI-UHFFFAOYSA-N
HMDB38637,250.077598392,C12H14N2O2S,CON1C=C(CNC(=O)SC)C2=C1C=CC=C2,"InChI=1S/C12H14N2O2S/c1-16-14-8-9(7-13-12(15)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,15)",BHXCFNZULGNWRA,UHFFFAOYSA,N,Methoxybrassitin,BHXCFNZULGNWRA-UHFFFAOYSA-N
HMDB38638,225.078978601,C14H11NO2,COC1=CC2=C(NC3=C2C=C(C=O)C=C3)C=C1,"InChI=1S/C14H11NO2/c1-17-10-3-5-14-12(7-10)11-6-9(8-16)2-4-13(11)15-14/h2-8,15H,1H3",MPGLRLBJCNRDKU,UHFFFAOYSA,N,6-Methoxy-9H-carbazole-3-carboxaldehyde,MPGLRLBJCNRDKU-UHFFFAOYSA-N
HMDB38639,255.089543287,C15H13NO3,COC(=O)C1=CC2=C(NC3=C2C=C(OC)C=C3)C=C1,"InChI=1S/C15H13NO3/c1-18-10-4-6-14-12(8-10)11-7-9(15(17)19-2)3-5-13(11)16-14/h3-8,16H,1-2H3",ANFDUFMLLFNVTE,UHFFFAOYSA,N,Methyl 6-methoxy-9H-carbazole-3-carboxylate,ANFDUFMLLFNVTE-UHFFFAOYSA-N
HMDB38640,255.089543287,C15H13NO3,COC1=CC2=C(NC3=C2C=C(C=O)C=C3OC)C=C1,"InChI=1S/C15H13NO3/c1-18-10-3-4-13-11(7-10)12-5-9(8-17)6-14(19-2)15(12)16-13/h3-8,16H,1-2H3",YUERFEQINUDZDT,UHFFFAOYSA,N,"1,6-Dimethoxy-9H-carbazole-3-carboxaldehyde",YUERFEQINUDZDT-UHFFFAOYSA-N
HMDB38641,290.05475446,C14H14N2OS2,CSC1=NC(CC(C)=O)C2=C(NC3=CC=CC=C23)S1,"InChI=1S/C14H14N2OS2/c1-8(17)7-11-12-9-5-3-4-6-10(9)15-13(12)19-14(16-11)18-2/h3-6,11,15H,7H2,1-2H3",YKKHSMWTSSXPSC,UHFFFAOYSA,N,"1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone",YKKHSMWTSSXPSC-UHFFFAOYSA-N
HMDB38642,379.189591681,C22H25N3O3,COC1=CC=C2C(NC3=C2C[C@@H]2N([C@H]3C=C(C)C)C(=O)[C@@H]3CCCN3C2=O)=C1,"InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1",DBEYVIGIPJSTOR,FHWLQOOXSA,N,Fumitremorgin C,DBEYVIGIPJSTOR-FHWLQOOXSA-N
HMDB38643,393.168856239,C22H23N3O4,COC1=CC2=C(C=C1)C1=C(N2)C(C=C(C)C)N2C(=O)C3CCCN3C(=O)C22OC12,"InChI=1S/C22H23N3O4/c1-11(2)9-16-18-17(13-7-6-12(28-3)10-14(13)23-18)19-22(29-19)21(27)24-8-4-5-15(24)20(26)25(16)22/h6-7,9-10,15-16,19,23H,4-5,8H2,1-3H3",XBJWPHYIDCHMPQ,UHFFFAOYSA,N,Epoxyfumitremorgin C,XBJWPHYIDCHMPQ-UHFFFAOYSA-N
HMDB38644,325.167793607,C20H23NO3,O=C(\C=C\C=C\CC\C=C/C1=CC2=C(OCO2)C=C1)N1CCCC1,"InChI=1S/C20H23NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h2,4-6,9-12,15H,1,3,7-8,13-14,16H2/b4-2+,9-5-,10-6+",XWQSYLYFCJTIEL,JWXNOOABSA,N,"(2E,4E,8E)-Piperamide-C9:3",XWQSYLYFCJTIEL-JWXNOOABSA-N
HMDB38645,327.183443671,C20H25NO3,O=C(\C=C\CCCC\C=C/C1=CC2=C(OCO2)C=C1)N1CCCC1,"InChI=1S/C20H25NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h5-6,9-12,15H,1-4,7-8,13-14,16H2/b9-5-,10-6+",BYKNKNBUHGFXQF,VTBWALSUSA,N,"(2E,8E)-Piperamide-C9:2",BYKNKNBUHGFXQF-VTBWALSUSA-N
HMDB38646,329.199093735,C20H27NO3,O=C(CCCCCC\C=C/C1=CC2=C(OCO2)C=C1)N1CCCC1,"InChI=1S/C20H27NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h5,9,11-12,15H,1-4,6-8,10,13-14,16H2/b9-5-",VBHDFZGBKBFFDM,UITAMQMPSA,N,(8E)-Piperamide-C9:1,VBHDFZGBKBFFDM-UITAMQMPSA-N
HMDB38647,299.152143543,C18H21NO3,O=C(\C=C\CC\C=C/C1=CC2=C(OCO2)C=C1)N1CCCC1,"InChI=1S/C18H21NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3-4,7-10,13H,1-2,5-6,11-12,14H2/b7-3-,8-4+",RUXALYXWBMBHLF,KYPMKJFLSA,N,"(2E,6E)-Piperamide-C7:2",RUXALYXWBMBHLF-KYPMKJFLSA-N
HMDB38648,301.167793607,C18H23NO3,O=C(CCCC\C=C/C1=CC2=C(OCO2)C=C1)N1CCCC1,"InChI=1S/C18H23NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3,7,9-10,13H,1-2,4-6,8,11-12,14H2/b7-3-",UUHCCOYKUNWUQJ,CLTKARDFSA,N,(6E)-Piperamide-C7:1,UUHCCOYKUNWUQJ-CLTKARDFSA-N
HMDB38649,297.136493479,C18H19NO3,CN1C(C(O)C2=CC=CC=C2)C(C(O)C1=O)C1=CC=CC=C1,"InChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3",WGYGSZOQGYRGIP,UHFFFAOYSA,N,(±)-Clausenamide,WGYGSZOQGYRGIP-UHFFFAOYSA-N
HMDB38650,279.125928793,C18H17NO2,CN1C2C(OC(C2C2=CC=CC=C2)C1=O)C1=CC=CC=C1,"InChI=1S/C18H17NO2/c1-19-15-14(12-8-4-2-5-9-12)17(18(19)20)21-16(15)13-10-6-3-7-11-13/h2-11,14-17H,1H3",QVGJMLNUOQHRAS,UHFFFAOYSA,N,Cycloclausenamide,QVGJMLNUOQHRAS-UHFFFAOYSA-N
HMDB38651,279.125928793,C18H17NO2,CN1C=C(C(C(O)C1=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H17NO2/c1-19-12-15(13-8-4-2-5-9-13)16(17(20)18(19)21)14-10-6-3-7-11-14/h2-12,16-17,20H,1H3",INMHUVDZWKKAOF,UHFFFAOYSA,N,Homoclausenamide,INMHUVDZWKKAOF-UHFFFAOYSA-N
HMDB38653,470.33960996,C30H46O4,[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CCC2[C@@](C)(CCC(O)=O)C(CC[C@@]12C)C(C)=C)C(O)=O,"InChI=1S/C30H46O4/c1-19(2)20-10-13-30(7)23(28(20,5)12-11-24(31)32)9-8-21-22-18-27(4,25(33)34)15-14-26(22,3)16-17-29(21,30)6/h8,20,22-23H,1,9-18H2,2-7H3,(H,31,32)(H,33,34)/t20?,22-,23?,26+,27-,28-,29+,30+/m0/s1",ASOUKQDZWGOCBR,QCXAWYCZSA,N,Koetjapic acid,ASOUKQDZWGOCBR-QCXAWYCZSA-N
HMDB38654,622.480854466,C37H66O7,CCCCCC(O)CCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H66O7/c1-3-4-13-19-30(38)20-16-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-15-12-10-8-6-5-7-9-11-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3",XZNOZEYKFBKGEY,UHFFFAOYSA,N,Motrilin,XZNOZEYKFBKGEY-UHFFFAOYSA-N
HMDB38655,398.354866094,C28H46O,CC(CCC(C)C(C)=C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,19-22,24-26,29H,1,7-9,11-17H2,2-6H3",ALAYAXMTAIVXMW,UHFFFAOYSA,N,25-Dehydrofungisterol,ALAYAXMTAIVXMW-UHFFFAOYSA-N
HMDB38656,424.334130652,C29H44O2,CCC(\C=C\C(C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25H,7,10-15,17H2,1-6H3/b9-8+",XWHBTBBUPBKDBB,CMDGGOBGSA,N,"(22E,24R)-Stigmasta-4,22-diene-3,6-dione",XWHBTBBUPBKDBB-CMDGGOBGSA-N
HMDB38657,412.334130652,C28H44O2,CC(C)C(C)CCC(C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C,"InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h15,17-19,21-24H,7-14,16H2,1-6H3",HYALICAWDSDCPS,UHFFFAOYSA,N,"(24R)-Ergost-4-ene-3,6-dione",HYALICAWDSDCPS-UHFFFAOYSA-N
HMDB38658,398.354866094,C28H46O,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](C)C(C)C,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,23-26H,7-16H2,1-6H3/t19-,20+,23-,24+,25-,26-,27-,28+/m0/s1",QQIOPZFVTIHASB,WUYCRTRWSA,N,(24S)-Ergost-4-en-3-one,QQIOPZFVTIHASB-WUYCRTRWSA-N
HMDB38659,330.073952802,C17H14O7,COC1=CC2=C(OCO2)C=C1C1COC2=CC(O)=CC(O)=C2C1=O,"InChI=1S/C17H14O7/c1-21-12-5-14-13(23-7-24-14)4-9(12)10-6-22-15-3-8(18)2-11(19)16(15)17(10)20/h2-5,10,18-19H,6-7H2,1H3",MNXNLFUKHPLPES,UHFFFAOYSA,N,Cicerin,MNXNLFUKHPLPES-UHFFFAOYSA-N
HMDB38660,282.146723814,C15H22O5,C\C(\C=C\C1(O)C2(C)COC1(C)CC(O)C2)=C\C(O)=O,"InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-",XIVFQYWMMJWUCD,IGTFLHFFSA,N,Dihydrophaseic acid,XIVFQYWMMJWUCD-IGTFLHFFSA-N
HMDB38661,282.146723814,C15H22O5,C\C(\C=C\C1(O)C2(C)COC1(C)CC(O)C2)=C/C(O)=O,"InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6+",XIVFQYWMMJWUCD,UMCKCUICSA,N,Epidihydrophaseic acid,XIVFQYWMMJWUCD-UMCKCUICSA-N
HMDB38662,251.100501903,C9H17NO7,C[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C9H17NO7/c1-4(8(14)15)10-3-9(16)7(13)6(12)5(2-11)17-9/h4-7,10-13,16H,2-3H2,1H3,(H,14,15)/t4-,5+,6+,7-,9?/m0/s1",BDMCSTCUMFCYDF,MBGOVIFWSA,N,N-(1-Deoxy-1-fructosyl)alanine,BDMCSTCUMFCYDF-MBGOVIFWSA-N
HMDB38663,265.116151967,C10H19NO7,OC[C@H]1O[C@](O)(CNCCCC(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C10H19NO7/c12-4-6-8(15)9(16)10(17,18-6)5-11-3-1-2-7(13)14/h6,8-9,11-12,15-17H,1-5H2,(H,13,14)/t6-,8-,9+,10-/m1/s1",HUEOABWGBTXQNF,SFKDOBOXSA,N,D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose,HUEOABWGBTXQNF-SFKDOBOXSA-N
HMDB38664,254.100167552,C9H18O8,OCC(O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2",NHJUPBDCSOGIKX,UHFFFAOYSA,N,(2R)-1-O-beta-D-Galactopyranosylglycerol,NHJUPBDCSOGIKX-UHFFFAOYSA-N
HMDB38665,304.105921632,C15H16N2O5,OC(=O)CCC(NC(=O)CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22)",YRKLGWOHYXIKSF,UHFFFAOYSA,N,L-N-(1H-Indol-3-ylacetyl)glutamic acid,YRKLGWOHYXIKSF-UHFFFAOYSA-N
HMDB38666,290.090271568,C14H14N2O5,OC(=O)CC(NC(=O)CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)",VAFNMNRKDDAKRM,UHFFFAOYSA,N,L-N-(1H-Indol-3-ylacetyl)aspartic acid,VAFNMNRKDDAKRM-UHFFFAOYSA-N
HMDB38667,540.155984644,C19H32N4O10S2,CC(CSCC(NC(=O)CCC(N)C(O)=O)C(O)=O)SCC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C19H32N4O10S2/c1-9(35-8-13(19(32)33)23-15(25)5-3-11(21)17(28)29)6-34-7-12(18(30)31)22-14(24)4-2-10(20)16(26)27/h9-13H,2-8,20-21H2,1H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)",RYMQVKWYNXBGIX,UHFFFAOYSA,N,"N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine",RYMQVKWYNXBGIX-UHFFFAOYSA-N
HMDB38668,176.043321376,C5H8N2O5,NCC(NC(=O)C(O)=O)C(O)=O,"InChI=1S/C5H8N2O5/c6-1-2(4(9)10)7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)",FNXJKVNOUQAQMB,UHFFFAOYSA,N,L-3-Amino-2-(oxalylamino)propanoic acid,FNXJKVNOUQAQMB-UHFFFAOYSA-N
HMDB38669,193.023119981,C6H11NO2S2,NC(CSSCC=C)C(O)=O,"InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)",WYQZZUUUOXNSCS,UHFFFAOYSA,N,S-(Allylthio)-L-cysteine,WYQZZUUUOXNSCS-UHFFFAOYSA-N
HMDB38670,164.074524387,C6H14NO2S,C[S+](C)CCC(N)C(O)=O,"InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1",YDBYJHTYSHBBAU,UHFFFAOYSA,O,S-Methylmethionine,YDBYJHTYSHBBAU-UHFFFAOYSA-O
HMDB38672,873.365718141,C42H51N9O12,CC(C)C1NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C2CCCN2C(=O)C2CCC(=O)N2)N2C=C(CC(NC(=O)C(CO)NC(=O)CNC1=O)C(O)=O)C1=C2C=CC=C1,"InChI=1S/C42H51N9O12/c1-21(2)34-39(59)43-18-33(55)45-29(20-52)37(57)47-28(42(62)63)17-23-19-51(30-7-4-3-6-25(23)30)35(40(60)48-34)49-36(56)27(16-22-9-11-24(53)12-10-22)46-38(58)31-8-5-15-50(31)41(61)26-13-14-32(54)44-26/h3-4,6-7,9-12,19,21,26-29,31,34-35,52-53H,5,8,13-18,20H2,1-2H3,(H,43,59)(H,44,54)(H,45,55)(H,46,58)(H,47,57)(H,48,60)(H,49,56)(H,62,63)",IPOLXDNCMOVXCP,UHFFFAOYSA,N,Lyciumin A,IPOLXDNCMOVXCP-UHFFFAOYSA-N
HMDB38673,896.381702556,C44H52N10O11,CC(C)C1NC(=O)C(NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C2CCCN2C(=O)C2CCC(=O)N2)N2C=C(CC(NC(=O)C(CO)NC(=O)CNC1=O)C(O)=O)C1=C2C=CC=C1,"InChI=1S/C44H52N10O11/c1-22(2)36-41(61)46-19-35(57)48-31(21-55)39(59)50-30(44(64)65)17-24-20-54(32-11-6-4-9-26(24)32)37(42(62)51-36)52-38(58)29(16-23-18-45-27-10-5-3-8-25(23)27)49-40(60)33-12-7-15-53(33)43(63)28-13-14-34(56)47-28/h3-6,8-11,18,20,22,28-31,33,36-37,45,55H,7,12-17,19,21H2,1-2H3,(H,46,61)(H,47,56)(H,48,57)(H,49,60)(H,50,59)(H,51,62)(H,52,58)(H,64,65)",BWRVBFMWWHWLBW,UHFFFAOYSA,N,Lyciumin B,BWRVBFMWWHWLBW-UHFFFAOYSA-N
HMDB38674,407.136235481,C15H25N3O8S,CSCCC(NC(=O)CCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C15H25N3O8S/c1-27-7-6-10(15(25)26)18-12(20)5-3-9(14(23)24)17-11(19)4-2-8(16)13(21)22/h8-10H,2-7,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)(H,25,26)",OGZNUDJBIAOLAA,UHFFFAOYSA,N,gamma-L-Glutamyl-gamma-L-glutamyl-L-methionine,OGZNUDJBIAOLAA-UHFFFAOYSA-N
HMDB38675,1039.647025363,C57H85N9O9,CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O)C(C)C,"InChI=1S/C57H85N9O9/c1-11-37(10)48-55(73)61-40(28-33(2)3)49(67)62-44(30-35(6)7)56(74)66-27-19-25-46(66)57(75)65-26-18-24-45(65)53(71)60-43(32-39-22-16-13-17-23-39)51(69)59-42(31-38-20-14-12-15-21-38)50(68)58-41(29-34(4)5)52(70)63-47(36(8)9)54(72)64-48/h12-17,20-23,33-37,40-48H,11,18-19,24-32H2,1-10H3,(H,58,68)(H,59,69)(H,60,71)(H,61,73)(H,62,67)(H,63,70)(H,64,72)/t37-,40+,41-,42+,43-,44-,45?,46?,47-,48-/m0/s1",DTEHCBOGAUCOJT,NWGSHBOFSA,N,Cyclolinopeptide A,DTEHCBOGAUCOJT-NWGSHBOFSA-N
HMDB38676,258.121571696,C11H18N2O5,NC(CCCCN1C(CCC1=O)C(O)=O)C(O)=O,"InChI=1S/C11H18N2O5/c12-7(10(15)16)3-1-2-6-13-8(11(17)18)4-5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18)",KZGLERZNBKMMPP,UHFFFAOYSA,N,"(2S,2'S)-Pyrosaccharopine",KZGLERZNBKMMPP-UHFFFAOYSA-N
HMDB38677,258.05282343,C14H10O5,OC1=CC(=CC(O)=C1)C1=CC2=C(O1)C=C(O)C(O)=C2,"InChI=1S/C14H10O5/c15-9-1-7(2-10(16)5-9)13-4-8-3-11(17)12(18)6-14(8)19-13/h1-6,15-18H",FDARKUSEVNCTHK,UHFFFAOYSA,N,Alfafuran,FDARKUSEVNCTHK-UHFFFAOYSA-N
HMDB38678,230.224580204,C14H30O2,CCCCCCOC(C)OCCCCCC,"InChI=1S/C14H30O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h14H,4-13H2,1-3H3",VSFOOCQEJQKBSO,UHFFFAOYSA,N,"1,1-Dihexyloxyethane",VSFOOCQEJQKBSO-UHFFFAOYSA-N
HMDB38679,146.13067982,C8H18O2,CCCCCOC(C)OC,"InChI=1S/C8H18O2/c1-4-5-6-7-10-8(2)9-3/h8H,4-7H2,1-3H3",DSXZWFNXPOIWEO,UHFFFAOYSA,N,1-Methoxy-1-pentyloxyethane,DSXZWFNXPOIWEO-UHFFFAOYSA-N
HMDB38680,496.15807636,C23H28O12,OC[C@@H]1C[C@@H](O)[C@]2(C=O)[C@@](CC(O)=O)([C@H](O)CC[C@]2(C=O)[C@@]11C[C@H](O[C@H]1O)C1=COC=C1)C(O)=O,"InChI=1S/C23H28O12/c24-8-13-5-16(28)23(11-26)20(10-25,3-1-15(27)22(23,18(31)32)7-17(29)30)21(13)6-14(35-19(21)33)12-2-4-34-9-12/h2,4,9-11,13-16,19,24,27-28,33H,1,3,5-8H2,(H,29,30)(H,31,32)/t13-,14-,15+,16+,19+,20-,21-,22-,23-/m0/s1",OCCSGWHBAQZQOW,ZUKDTQBBSA,N,Musabalbisiane A,OCCSGWHBAQZQOW-ZUKDTQBBSA-N
HMDB38681,498.173726424,C23H30O12,OC[C@@H]1C[C@@H](O)[C@@]2(C(O)=O)[C@](CO)(CC[C@@H](O)[C@@]2(CC(O)=O)C=O)[C@@]11C[C@H](O[C@H]1O)C1=COC=C1,"InChI=1S/C23H30O12/c24-8-13-5-16(28)23(18(31)32)20(10-25,7-17(29)30)15(27)1-3-21(23,11-26)22(13)6-14(35-19(22)33)12-2-4-34-9-12/h2,4,9-10,13-16,19,24,26-28,33H,1,3,5-8,11H2,(H,29,30)(H,31,32)/t13-,14-,15+,16+,19+,20+,21-,22-,23-/m0/s1",DGMXGJQMPUKDQN,VLGBJMDQSA,N,Musabalbisiane B,DGMXGJQMPUKDQN-VLGBJMDQSA-N
HMDB38682,568.251976744,C28H40O12,C\C=C(/C)C(=O)O[C@@H]1CC[C@]2(CO)[C@@]3(C[C@H](O[C@H]3O)C3=COC=C3)[C@H](CO)C[C@@H](O)[C@]2(CO)[C@@]1(CO)CC(O)=O,"InChI=1S/C28H40O12/c1-3-16(2)23(36)40-21-4-6-26(14-31)27(9-19(39-24(27)37)17-5-7-38-12-17)18(11-29)8-20(33)28(26,15-32)25(21,13-30)10-22(34)35/h3,5,7,12,18-21,24,29-33,37H,4,6,8-11,13-15H2,1-2H3,(H,34,35)/b16-3+/t18-,19-,20+,21+,24+,25+,26-,27-,28+/m0/s1",CPJNTZBFGMGXON,DFBMNNFESA,N,Musabalbisiane C,CPJNTZBFGMGXON-DFBMNNFESA-N
HMDB38683,470.303224454,C29H42O5,C[C@@H]1CC[C@@]2(CCC3C(=CC(=O)C4[C@@]3(C)CCC3C(C)(C)C(=O)CC[C@]43C)C2C1(C)O)C(O)=O,"InChI=1S/C29H42O5/c1-16-7-13-29(24(32)33)14-8-18-17(22(29)28(16,6)34)15-19(30)23-26(18,4)11-9-20-25(2,3)21(31)10-12-27(20,23)5/h15-16,18,20,22-23,34H,7-14H2,1-6H3,(H,32,33)/t16-,18?,20?,22?,23?,26+,27+,28-,29+/m1/s1",LEDUTIHVUWXGHW,FNJHRCSHSA,N,"19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid",LEDUTIHVUWXGHW-FNJHRCSHSA-N
HMDB38684,300.172544634,C19H24O3,CC(C)C1=C(O)C(O)=C2C(CCC3=C2C(=O)CCC3(C)C)=C1,"InChI=1S/C19H24O3/c1-10(2)12-9-11-5-6-13-16(15(11)18(22)17(12)21)14(20)7-8-19(13,3)4/h9-10,21-22H,5-8H2,1-4H3",NPQAMUFQEFLLCY,UHFFFAOYSA,N,Sageone,NPQAMUFQEFLLCY-UHFFFAOYSA-N
HMDB38685,284.23514489,C17H32O3,CCCCCCCCCCCCC(O)C1CCC(=O)O1,"InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17(19)20-16/h15-16,18H,2-14H2,1H3",VFLQJBVJJLGBKM,UHFFFAOYSA,N,Muricatacin,VFLQJBVJJLGBKM-UHFFFAOYSA-N
HMDB38686,432.170351745,C24H29ClO5,COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4CC(C=O)=C23)C(O)=C1,"InChI=1S/C24H29ClO5/c1-12-19(16(27)7-17(29-5)21(12)25)22(28)30-18-10-24(4)15-9-23(2,3)8-13(15)6-14(11-26)20(18)24/h7,11,13,15,18,27H,6,8-10H2,1-5H3",HTYGPZSURXEEQG,UHFFFAOYSA,N,Armillaricin,HTYGPZSURXEEQG-UHFFFAOYSA-N
HMDB38687,302.224580204,C20H30O2,CC12OC1C13CC2CCC1C1(C)CCC(=O)C(C)(C)C1CC3,"InChI=1S/C20H30O2/c1-17(2)13-7-10-20-11-12(19(4)16(20)22-19)5-6-14(20)18(13,3)9-8-15(17)21/h12-14,16H,5-11H2,1-4H3",SVKMTDSTFGJBCS,UHFFFAOYSA,N,"(ent-15beta,16beta)-15,16-Epoxy-3-kauranone",SVKMTDSTFGJBCS-UHFFFAOYSA-N
HMDB38688,320.23514489,C20H32O3,CC12OC1C13CC2CCC1C1(C)CC(O)C(O)C(C)(C)C1CC3,"InChI=1S/C20H32O3/c1-17(2)13-7-8-20-9-11(19(4)16(20)23-19)5-6-14(20)18(13,3)10-12(21)15(17)22/h11-16,21-22H,5-10H2,1-4H3",HFKTUZJPXRDTKA,UHFFFAOYSA,N,"(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol",HFKTUZJPXRDTKA-UHFFFAOYSA-N
HMDB38689,320.23514489,C20H32O3,CC1(C)C(O)C(O)CC2(C)C3CCC4CC3(CCC12)C(O)C4=C,"InChI=1S/C20H32O3/c1-11-12-5-6-15-19(4)10-13(21)17(23)18(2,3)14(19)7-8-20(15,9-12)16(11)22/h12-17,21-23H,1,5-10H2,2-4H3",RSUQJXHMFVYBBS,UHFFFAOYSA,N,"(ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol",RSUQJXHMFVYBBS-UHFFFAOYSA-N
HMDB38690,344.162373878,C20H24O5,C\C=C(/C)C(=O)OC1CC2C(OC(=O)C2=C)C2C(C)=CC=C2C1(C)O,"InChI=1S/C20H24O5/c1-6-10(2)18(21)24-15-9-13-12(4)19(22)25-17(13)16-11(3)7-8-14(16)20(15,5)23/h6-8,13,15-17,23H,4,9H2,1-3,5H3/b10-6+",ITEVGBFEXWVGSM,UXBLZVDNSA,N,Isoachifolidiene,ITEVGBFEXWVGSM-UXBLZVDNSA-N
HMDB38691,406.220282686,C19H34O9,CC(O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H34O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+",SGUOENJPMRQEMJ,AATRIKPKSA,N,Kiwiionoside,SGUOENJPMRQEMJ-AATRIKPKSA-N
HMDB38692,186.125594442,C10H18O3,C\C(CCC(O)C(=C)CO)=C\CO,"InChI=1S/C10H18O3/c1-8(5-6-11)3-4-10(13)9(2)7-12/h5,10-13H,2-4,6-7H2,1H3/b8-5-",KSMRZTSAPKWVGY,YVMONPNESA,N,"6-Methyl-2-methylene-6-octene-1,3,8-triol",KSMRZTSAPKWVGY-YVMONPNESA-N
HMDB38693,350.20932407,C20H30O5,CC(C)(C1CCC23CC(CCC2C1(C)CC(O)=O)C(=C)C3O)C(O)=O,"InChI=1S/C20H30O5/c1-11-12-5-6-14-19(4,10-15(21)22)13(18(2,3)17(24)25)7-8-20(14,9-12)16(11)23/h12-14,16,23H,1,5-10H2,2-4H3,(H,21,22)(H,24,25)",DKUYNSVJKKPQRW,UHFFFAOYSA,N,Oryzalic acid B,DKUYNSVJKKPQRW-UHFFFAOYSA-N
HMDB38694,320.23514489,C20H32O3,C\C=C(\C)C(=O)O[C@H]1C=C(C)[C@@]2(C)CCCC[C@]2([H])[C@@]1(O)C(C)C,"InChI=1S/C20H32O3/c1-7-14(4)18(21)23-17-12-15(5)19(6)11-9-8-10-16(19)20(17,22)13(2)3/h7,12-13,16-17,22H,8-11H2,1-6H3/b14-7-/t16-,17-,19+,20-/m0/s1",NXPBEWQMSGGADR,XUDYDAPFSA,N,Crispane,NXPBEWQMSGGADR-XUDYDAPFSA-N
HMDB38695,426.386166222,C30H50O,CC(CCC=C(C)C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C,"InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3",WSPRAEIJBDUDRX,UHFFFAOYSA,N,"3beta-Cucurbita-5,24-dien-3-ol",WSPRAEIJBDUDRX-UHFFFAOYSA-N
HMDB38696,304.127051004,C12H20N2O7,OCC(O)C(O)CC1=CN=C(C=N1)C(O)C(O)C(O)CO,"InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-14-7(3-13-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2",FBDICDJCXVZLIP,UHFFFAOYSA,N,Deoxyfructosazine,FBDICDJCXVZLIP-UHFFFAOYSA-N
HMDB38697,154.099379692,C9H14O2,CC1CC(=O)CC(C)(C)C1=O,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3",HVHHZSFNAYSPSA,UHFFFAOYSA,N,"xi-2,2,6-Trimethyl-1,4-cyclohexanedione",HVHHZSFNAYSPSA-UHFFFAOYSA-N
HMDB38698,234.161979948,C15H22O2,CC(C)CC(=O)CC(C)C1=CC(O)=C(C)C=C1,"InChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-6,9-10,12,17H,7-8H2,1-4H3",VLJVBISZYRTNJO,UHFFFAOYSA,N,"xi-2-Hydroxy-1,3,5-bisabolatrien-9-one",VLJVBISZYRTNJO-UHFFFAOYSA-N
HMDB38699,626.433510344,C42H58O4,CC(C)=CCC\C(C)=C\CCC(C)(C=C)C1=CC(O)=C(OC2=CC(=CC(O)=C2O)C(C)(CC\C=C(\C)CCC=C(C)C)C=C)C=C1,"InChI=1S/C42H58O4/c1-11-41(9,25-15-21-32(7)19-13-17-30(3)4)34-23-24-38(36(43)27-34)46-39-29-35(28-37(44)40(39)45)42(10,12-2)26-16-22-33(8)20-14-18-31(5)6/h11-12,17-18,21-24,27-29,43-45H,1-2,13-16,19-20,25-26H2,3-10H3/b32-21+,33-22-",IIXXCYMHCAOUOF,RWHGWQAQSA,N,Peltatol C,IIXXCYMHCAOUOF-RWHGWQAQSA-N
HMDB38700,626.433510344,C42H58O4,CC(C)=CCC\C(C)=C/CCC(C)(C=C)C1=CC(OC2=CC(=CC(O)=C2O)C(C)(CC\C=C(\C)CCC=C(C)C)C=C)=C(O)C=C1,"InChI=1S/C42H58O4/c1-11-41(9,25-15-21-32(7)19-13-17-30(3)4)34-23-24-36(43)38(28-34)46-39-29-35(27-37(44)40(39)45)42(10,12-2)26-16-22-33(8)20-14-18-31(5)6/h11-12,17-18,21-24,27-29,43-45H,1-2,13-16,19-20,25-26H2,3-10H3/b32-21-,33-22-",SRYUFQNDYPIUQF,PVZQIEDDSA,N,Peltatol B,SRYUFQNDYPIUQF-PVZQIEDDSA-N
HMDB38701,626.433510344,C42H58O4,CC(C)=CCC\C(C)=C/CCC(C)(C=C)C1=CC(=C(O)C(O)=C1)C1=C(O)C(O)=CC(=C1)C(C)(CC\C=C(/C)CCC=C(C)C)C=C,"InChI=1S/C42H58O4/c1-11-41(9,23-15-21-31(7)19-13-17-29(3)4)33-25-35(39(45)37(43)27-33)36-26-34(28-38(44)40(36)46)42(10,12-2)24-16-22-32(8)20-14-18-30(5)6/h11-12,17-18,21-22,25-28,43-46H,1-2,13-16,19-20,23-24H2,3-10H3/b31-21-,32-22+",FBBLBOYXADGJGC,MXEGIGMXSA,N,Peltatol A,FBBLBOYXADGJGC-MXEGIGMXSA-N
HMDB38702,300.20893014,C20H28O2,CC(C)C1=C(O)C=C2C(=C1)C(O)=CC1C(C)(C)CCCC21C,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,18,21-22H,6-8H2,1-5H3",UIJOYOSDYSTACV,UHFFFAOYSA,N,Trilobinol,UIJOYOSDYSTACV-UHFFFAOYSA-N
HMDB38703,456.360345402,C30H48O3,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C)C(O)=O,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",WCGUUGGRBIKTOS,UHFFFAOYSA,N,Carissic acid,WCGUUGGRBIKTOS-UHFFFAOYSA-N
HMDB38704,472.282489012,C28H40O6,CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC2C1C1C(CCC2(C)O)C1(C)C,"InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3",IBLPTYJTKWQCDX,UHFFFAOYSA,N,Macrocarpal B,IBLPTYJTKWQCDX-UHFFFAOYSA-N
HMDB38705,454.271924326,C28H38O5,CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC2C1C1C(CCC2=C)C1(C)C,"InChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3",IEWHEHWXBLPFER,UHFFFAOYSA,N,Macrocarpal C,IEWHEHWXBLPFER-UHFFFAOYSA-N
HMDB38706,314.172938564,C16H26O6,CC(=C)C1CCC(COC2OC(CO)C(O)C(O)C2O)=CC1,"InChI=1S/C16H26O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h3,11-20H,1,4-8H2,2H3",YUTAFQVKXLDYFG,UHFFFAOYSA,N,Perilloside A,YUTAFQVKXLDYFG-UHFFFAOYSA-N
HMDB38707,454.344695338,C30H46O3,CC(CCC=C(CO)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C,"InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3",JVGJXXNUVVQEIG,UHFFFAOYSA,N,Ganoderiol F,JVGJXXNUVVQEIG-UHFFFAOYSA-N
HMDB38708,326.136553058,C16H22O7,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(CC=C)=C1,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3",VADSVXSGIFBZLI,UHFFFAOYSA,N,Citrusin C,VADSVXSGIFBZLI-UHFFFAOYSA-N
HMDB38709,286.229665582,C20H30O,CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(C=O)C1CC2,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-14,18H,5-11H2,1-4H3",MDWQSNIQXHNTCK,UHFFFAOYSA,N,"8,13-Abietadien-18-al",MDWQSNIQXHNTCK-UHFFFAOYSA-N
HMDB38710,508.194461866,C25H32O11,COC1=C(O)C=CC(=C1)C1OC2=C(C=C(CCCO)C=C2O)C1COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-16(18)28)23-15(11-34-25-22(32)21(31)20(30)19(10-27)35-25)14-7-12(3-2-6-26)8-17(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3",IZPTZYWDXAUURH,UHFFFAOYSA,N,"(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside",IZPTZYWDXAUURH-UHFFFAOYSA-N
HMDB38711,522.21011193,C26H34O11,COC1=CC(CCCO)=CC2=C1OC(C2COC1OC(CO)C(O)C(O)C1O)C1=CC(OC)=C(O)C=C1,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3",VTKHRLZMWODHJA,UHFFFAOYSA,N,"(7'R,8'R)-4,7'-Epoxy-3',5-dimethoxy-4',9,9'-lignanetriol 9'-glucoside",VTKHRLZMWODHJA-UHFFFAOYSA-N
HMDB38712,178.062994186,C10H10O3,OC1CCC(=O)C2=C1C=CC=C2O,"InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2",ZXYYTDCENDYKBR,UHFFFAOYSA,N,(S)-Isosclerone,ZXYYTDCENDYKBR-UHFFFAOYSA-N
HMDB38713,586.4961106,C38H66O4,CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC(O)=C(OC)C=C1,"InChI=1S/C38H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(40)32-30-35-29-31-37(41-2)36(39)34-35/h29-32,34,39H,3-28,33H2,1-2H3/b32-30+",XEOWPOLWKNHXGL,NHQGMKOOSA,N,Erythrinasinate A,XEOWPOLWKNHXGL-NHQGMKOOSA-N
HMDB38714,478.168641046,C20H30O13,COC1=CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)=CC(OC)=C1OC,"InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3",CKGKQISENBKOCA,UHFFFAOYSA,N,Kelampayoside A,CKGKQISENBKOCA-UHFFFAOYSA-N
HMDB38715,274.047738052,C14H10O6,COC1=C(O)C=C2OC3=CC(O)=CC(O)=C3C(=O)C2=C1,"InChI=1S/C14H10O6/c1-19-11-4-7-10(5-8(11)16)20-12-3-6(15)2-9(17)13(12)14(7)18/h2-5,15-17H,1H3",CLZONBOPXUGYNY,UHFFFAOYSA,N,Alloathyriol,CLZONBOPXUGYNY-UHFFFAOYSA-N
HMDB38716,576.126776232,C30H24O12,O[C@H]1CC2=C(O)C=C3O[C@]4(OC5=CC(O)=CC(O)=C5[C@H]([C@@H]4O)C3=C2O[C@@H]1C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",NSEWTSAADLNHNH,VCFSXNJSSA,N,Pavetannin A2,NSEWTSAADLNHNH-VCFSXNJSSA-N
HMDB38717,396.178417872,C20H28O8,CC1C(O)C2=C(C1=O)C(C)=C(CCOC1OC(CO)C(O)C(O)C1O)C(C)=C2,"InChI=1S/C20H28O8/c1-8-6-12-14(16(23)10(3)15(12)22)9(2)11(8)4-5-27-20-19(26)18(25)17(24)13(7-21)28-20/h6,10,13,15,17-22,24-26H,4-5,7H2,1-3H3",VKDMMOFAMUXTQZ,UHFFFAOYSA,N,"(10S,11R)-Pterosin C 4-glucoside",VKDMMOFAMUXTQZ-UHFFFAOYSA-N
HMDB38718,550.205026552,C27H34O12,COC1=CC(\C=C\CO)=CC2=C1OC(C2CO)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1,"InChI=1S/C27H34O12/c1-34-17-8-13(5-4-6-28)7-15-16(11-29)24(38-25(15)17)14-9-18(35-2)26(19(10-14)36-3)39-27-23(33)22(32)21(31)20(12-30)37-27/h4-5,7-10,16,20-24,27-33H,6,11-12H2,1-3H3/b5-4+",MQDDAWSOEYTMBZ,SNAWJCMRSA,N,Scorzonoside,MQDDAWSOEYTMBZ-SNAWJCMRSA-N
HMDB38719,820.388135872,C42H60O16,CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(C(O)C(O)C6O)C(O)=O)C(O)=O)C(C)(C)C5CCC34C)C1C2,"InChI=1S/C42H60O16/c1-37(2)20-8-11-42(7)31(19(43)14-17-18-15-38(3)16-22(55-36(38)53)39(18,4)12-13-41(17,42)6)40(20,5)10-9-21(37)54-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h14,18,20-31,34-35,44-48H,8-13,15-16H2,1-7H3,(H,49,50)(H,51,52)",ACCYCJOHUMRMMV,UHFFFAOYSA,N,Licoricesaponin E2,ACCYCJOHUMRMMV-UHFFFAOYSA-N
HMDB38720,338.20932407,C19H30O5,CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3",RPWFJAMTCNSJKK,UHFFFAOYSA,N,Dodecyl gallate,RPWFJAMTCNSJKK-UHFFFAOYSA-N
HMDB38721,1068.55050975,C54H84O21,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC6CC(=O)C(O)=C(C)O6)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C54H84O21/c1-23-34(58)27(57)18-33(68-23)71-32-20-49(3,4)19-26-25-10-11-30-51(6)14-13-31(52(7,22-56)29(51)12-15-54(30,9)53(25,8)17-16-50(26,32)5)72-48-44(40(64)39(63)42(73-48)45(66)67)75-47-43(38(62)36(60)28(21-55)70-47)74-46-41(65)37(61)35(59)24(2)69-46/h10,24,26,28-33,35-44,46-48,55-56,58-65H,11-22H2,1-9H3,(H,66,67)",ONAAMCDHQSWPDU,UHFFFAOYSA,N,Soyasaponin bg,ONAAMCDHQSWPDU-UHFFFAOYSA-N
HMDB38722,290.115423686,C16H18O5,COC1=CC(=O)OC(C1)\C=C/C1=CC(OC)=C(OC)C=C1,"InChI=1S/C16H18O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-8,10,12H,9H2,1-3H3/b6-4-",FISBBPCLKKQWQA,XQRVVYSFSA,N,"5,6-Dihydro-11-methoxyyangonin",FISBBPCLKKQWQA-XQRVVYSFSA-N
HMDB38723,297.100107973,C17H15NO4,COC1=C(O)C=C2C(C=CN=C2C(O)C2=CC=C(O)C=C2)=C1,"InChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-9,17,19-21H,1H3",XWZBLZPLPZOXQV,UHFFFAOYSA,N,(S)-Annocherine A,XWZBLZPLPZOXQV-UHFFFAOYSA-N
HMDB38724,329.162708229,C19H23NO4,COC1=CC=C(CC2NCCC3=C(O)C(OC)=C(OC)C=C23)C=C1,"InChI=1S/C19H23NO4/c1-22-13-6-4-12(5-7-13)10-16-15-11-17(23-2)19(24-3)18(21)14(15)8-9-20-16/h4-7,11,16,20-21H,8-10H2,1-3H3",SQMUQBYKHDACDD,UHFFFAOYSA,N,xi-Anomuricine,SQMUQBYKHDACDD-UHFFFAOYSA-N
HMDB38725,299.152143543,C18H21NO3,COC1=C(O)C2=C(CCN(C)C2CC2=CC=C(O)C=C2)C=C1,"InChI=1S/C18H21NO3/c1-19-10-9-13-5-8-16(22-2)18(21)17(13)15(19)11-12-3-6-14(20)7-4-12/h3-8,15,20-21H,9-11H2,1-2H3",QRKWLDOOAQAGAE,UHFFFAOYSA,N,(R)-Juziphine,QRKWLDOOAQAGAE-UHFFFAOYSA-N
HMDB38728,332.074346732,C13H16O10,OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",GDVRUDXLQBVIKP,UHFFFAOYSA,N,beta-Glucogallin,GDVRUDXLQBVIKP-UHFFFAOYSA-N
HMDB38729,214.193280076,C13H26O2,CCCCCCCC(=O)OCCC(C)C,"InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3",XKWSWANXMRXDES,UHFFFAOYSA,N,3-Methylbutyl octanoate,XKWSWANXMRXDES-UHFFFAOYSA-N
HMDB38730,421.137281339,C20H23NO9,OCC1OC(OC\C=C(/COC(=O)\C=C\C2=CC=C(O)C=C2)C#N)C(O)C(O)C1O,"InChI=1S/C20H23NO9/c21-9-13(11-29-16(24)6-3-12-1-4-14(23)5-2-12)7-8-28-20-19(27)18(26)17(25)15(10-22)30-20/h1-7,15,17-20,22-23,25-27H,8,10-11H2/b6-3+,13-7-",CUXBICPZQSXIEU,RJFXKCBKSA,N,5-O-p-Coumaroylnigrumin,CUXBICPZQSXIEU-RJFXKCBKSA-N
HMDB38731,194.167065326,C13H22O,CC(O)\C=C\C1C(C)=CCCC1(C)C,"InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+",PWDOJWCZWKWKSE,BQYQJAHWSA,N,"4,7-Megastigmadien-9-ol",PWDOJWCZWKWKSE-BQYQJAHWSA-N
HMDB38732,488.2621475,C24H40O10,CC(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CCCC1(C)C,"InChI=1S/C24H40O10/c1-12-6-5-9-24(3,4)14(12)8-7-13(2)32-23-21(30)19(28)18(27)16(34-23)11-31-22-20(29)17(26)15(10-25)33-22/h6-8,13-23,25-30H,5,9-11H2,1-4H3/b8-7+",MITNBWXSDQNKSU,BQYQJAHWSA,N,alpha-Ionol O-[arabinosyl-(1->6)-glucoside],MITNBWXSDQNKSU-BQYQJAHWSA-N
HMDB38733,472.282489012,C28H40O6,CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC2C(C)CCC(C=C12)C(C)(C)O,"InChI=1S/C28H40O6/c1-15(2)11-22(23-25(32)19(13-29)24(31)20(14-30)26(23)33)28(6)10-9-18-16(3)7-8-17(12-21(18)28)27(4,5)34/h12-18,22,31-34H,7-11H2,1-6H3",VUKIJLQDSQXHDI,UHFFFAOYSA,N,Macrocarpal D,VUKIJLQDSQXHDI-UHFFFAOYSA-N
HMDB38734,472.282489012,C28H40O6,CC(C)CC(C1CCC(C)C2=CC(CCC12C)C(C)(C)O)C1=C(O)C(C=O)=C(O)C(C=O)=C1O,"InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h12-18,21,31-34H,7-11H2,1-6H3",XJNGQIYBMXBCRU,UHFFFAOYSA,N,Macrocarpal E,XJNGQIYBMXBCRU-UHFFFAOYSA-N
HMDB38735,451.147846025,C21H25NO10,COC1=C(O)C=CC(\C=C\C(=O)OC\C(=C/COC2OC(CO)C(O)C(O)C2O)C#N)=C1,"InChI=1S/C21H25NO10/c1-29-15-8-12(2-4-14(15)24)3-5-17(25)31-11-13(9-22)6-7-30-21-20(28)19(27)18(26)16(10-23)32-21/h2-6,8,16,18-21,23-24,26-28H,7,10-11H2,1H3/b5-3+,13-6-",ZZGPJESHTGYKSG,WIMOKQHYSA,N,5-O-Feruloylnigrumin,ZZGPJESHTGYKSG-WIMOKQHYSA-N
HMDB38736,242.151809192,C13H22O4,CC(=O)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O,"InChI=1S/C13H22O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,10,15-17H,7-8H2,1-4H3/b6-5+",QASOACWKTAXFSE,AATRIKPKSA,N,"(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one",QASOACWKTAXFSE-AATRIKPKSA-N
HMDB38737,486.334524582,C30H46O5,CC1(CO)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CC(=O)C3(C)CCC12C)C(O)=O,"InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)",MVTZJCYINFKILV,UHFFFAOYSA,N,Melilotigenin,MVTZJCYINFKILV-UHFFFAOYSA-N
HMDB38738,512.246891366,C22H40O13,CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C22H40O13/c1-3-5-6-7-11(8-14(24)31-4-2)33-22-20(30)18(28)16(26)13(35-22)10-32-21-19(29)17(27)15(25)12(9-23)34-21/h11-13,15-23,25-30H,3-10H2,1-2H3",QAIPLYVRKVVKMO,UHFFFAOYSA,N,Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],QAIPLYVRKVVKMO-UHFFFAOYSA-N
HMDB38739,808.424521378,C42H64O15,CC1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O,"InChI=1S/C42H64O15/c1-37(2)21-10-13-42(7)22(9-8-19-20-18-39(4,36(52)53)15-14-38(20,3)16-17-41(19,42)6)40(21,5)12-11-23(37)54-35-31(27(46)26(45)30(56-35)33(50)51)57-34-28(47)24(43)25(44)29(55-34)32(48)49/h8,20-31,34-35,43-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)(H,52,53)",BCNKILSUUHWRTG,UHFFFAOYSA,N,Licoricesaponin B2,BCNKILSUUHWRTG-UHFFFAOYSA-N
HMDB38740,432.10564686,C21H20O10,OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(=CO3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-14-6-11(24)5-13-16(14)17(25)12(8-29-13)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",TXLQONQJSWSJJX,UHFFFAOYSA,N,Genistein 5-glucoside,TXLQONQJSWSJJX-UHFFFAOYSA-N
HMDB38741,578.142426296,C30H26O12,OCC1OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C30H26O12/c31-13-23-27(37)28(38)29(42-24(35)10-3-15-1-6-17(32)7-2-15)30(41-23)40-19-11-21(34)25-22(12-19)39-14-20(26(25)36)16-4-8-18(33)9-5-16/h1-12,14,23,27-34,37-38H,13H2/b10-3+",NRJJZSQAAJJXTJ,XCVCLJGOSA,N,Genistein 7-O-(2-p-coumaroylglucoside),NRJJZSQAAJJXTJ-XCVCLJGOSA-N
HMDB38742,372.193674006,C22H28O5,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3CC(C)(C)CC3C=CC12O,"InChI=1S/C22H28O5/c1-12-7-14(23)8-16(24)18(12)19(25)27-17-11-21(4)15-10-20(2,3)9-13(15)5-6-22(17,21)26/h5-8,13,15,17,23-24,26H,9-11H2,1-4H3",AFPPVJHFFGBKOB,UHFFFAOYSA,N,Armillasin,AFPPVJHFFGBKOB-UHFFFAOYSA-N
HMDB38743,610.423339588,C38H58O6,CCCCCCCCCCCCCCCC(=O)OC12C=CC3CC(C)(C)CC3C1(C)CC2OC(=O)C1=C(O)C=C(O)C=C1C,"InChI=1S/C38H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(41)44-38-21-20-28-24-36(3,4)25-30(28)37(38,5)26-32(38)43-35(42)34-27(2)22-29(39)23-31(34)40/h20-23,28,30,32,39-40H,6-19,24-26H2,1-5H3",SFZLJVNEGHGCDQ,UHFFFAOYSA,N,Armillatin,SFZLJVNEGHGCDQ-UHFFFAOYSA-N
HMDB38744,170.13067982,C10H18O2,C\C(CO)=C\CC\C(C)=C\CO,"InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5-",PREUOUJFXMCMSJ,KWNZIKDBSA,N,9-Hydroxygeraniol,PREUOUJFXMCMSJ-KWNZIKDBSA-N
HMDB38745,512.31378914,C31H44O6,[H][C@@]12C[C@@]3(C)C[C@H](OC3=O)[C@]1(C)CC[C@]1(C(=O)OC)C2=CC(=O)C2[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C,"InChI=1S/C31H44O6/c1-26(2)20-8-11-30(6)23(29(20,5)10-9-21(26)33)19(32)14-17-18-15-27(3)16-22(37-24(27)34)28(18,4)12-13-31(17,30)25(35)36-7/h14,18,20-23,33H,8-13,15-16H2,1-7H3/t18-,20?,21-,22-,23?,27-,28+,29-,30+,31+/m0/s1",MKDSBDQLSLPNOQ,OZFAJWBBSA,N,Glyuranolide,MKDSBDQLSLPNOQ-OZFAJWBBSA-N
HMDB38746,364.188588628,C20H28O6,CC12CCC(O)C(C)(C1C(C(O)=O)C13CC(C(O)CC21)C(=C)C3)C(O)=O,"InChI=1S/C20H28O6/c1-9-7-20-8-10(9)11(21)6-12(20)18(2)5-4-13(22)19(3,17(25)26)15(18)14(20)16(23)24/h10-15,21-22H,1,4-8H2,2-3H3,(H,23,24)(H,25,26)",RKDWVYHBXWADKI,UHFFFAOYSA,N,Gibberellin A74,RKDWVYHBXWADKI-UHFFFAOYSA-N
HMDB38747,332.18350325,C16H28O7,CC(COC1OC(CO)C(O)C(O)C1O)C\C=C/C=C(/C)CO,"InChI=1S/C16H28O7/c1-10(7-17)5-3-4-6-11(2)9-22-16-15(21)14(20)13(19)12(8-18)23-16/h3-5,11-21H,6-9H2,1-2H3/b4-3-,10-5-",BMZXRCYRAQEICG,QQTPKPIZSA,N,"(2E,4E,7R)-2,7-Dimethyl-2,4-octadiene-1,8-diol 8-O-b-D-glucopyranoside",BMZXRCYRAQEICG-QQTPKPIZSA-N
HMDB38748,446.15768243,C23H26O9,OCC1OC(OCCC2=CC=C(O)C=C2)C(O)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C23H26O9/c24-13-18-22(32-19(27)10-5-14-1-6-16(25)7-2-14)20(28)21(29)23(31-18)30-12-11-15-3-8-17(26)9-4-15/h1-10,18,20-26,28-29H,11-13H2/b10-5+",TXIKDCCKEBXQGU,BJMVGYQFSA,N,Osmanthuside A,TXIKDCCKEBXQGU-BJMVGYQFSA-N
HMDB38749,592.215591238,C29H36O13,CC1OC(OC2C(O)C(OCCC3=CC=C(O)C=C3)OC(CO)C2OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C29H36O13/c1-15-22(34)23(35)24(36)29(39-15)42-27-25(37)28(38-13-12-17-4-9-19(32)10-5-17)40-20(14-30)26(27)41-21(33)11-6-16-2-7-18(31)8-3-16/h2-11,15,20,22-32,34-37H,12-14H2,1H3/b11-6+",PRTREKIVGSNQRM,IZZDOVSWSA,N,Osmanthuside B,PRTREKIVGSNQRM-IZZDOVSWSA-N
HMDB38750,197.068807845,C9H11NO4,ONC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C9H11NO4/c11-7-3-1-6(2-4-7)5-8(10-14)9(12)13/h1-4,8,10-11,14H,5H2,(H,12,13)",CNIUEVQJABPUIJ,UHFFFAOYSA,N,N-Hydroxy-L-tyrosine,CNIUEVQJABPUIJ-UHFFFAOYSA-N
HMDB38751,221.089937217,C8H15NO6,OCCC(NCCC(O)C(O)=O)C(O)=O,"InChI=1S/C8H15NO6/c10-4-2-5(7(12)13)9-3-1-6(11)8(14)15/h5-6,9-11H,1-4H2,(H,12,13)(H,14,15)",YVTYLIZWVFUUMH,UHFFFAOYSA,N,Avenic acid B,YVTYLIZWVFUUMH-UHFFFAOYSA-N
HMDB38752,294.106315562,C10H18N2O8,OC(CNCC(O)=O)C(NCCC(O)C(O)=O)C(O)=O,"InChI=1S/C10H18N2O8/c13-5(9(17)18)1-2-12-8(10(19)20)6(14)3-11-4-7(15)16/h5-6,8,11-14H,1-4H2,(H,15,16)(H,17,18)(H,19,20)",SEATYFZPTMHEIW,UHFFFAOYSA,N,Distichonic acid A,SEATYFZPTMHEIW-UHFFFAOYSA-N
HMDB38753,294.106315562,C10H18N2O8,OC(CC(NCCC(O)C(O)=O)C(O)=O)NCC(O)=O,"InChI=1S/C10H18N2O8/c13-6(10(19)20)1-2-11-5(9(17)18)3-7(14)12-4-8(15)16/h5-7,11-14H,1-4H2,(H,15,16)(H,17,18)(H,19,20)",MQDGZZFOZKWSKP,UHFFFAOYSA,N,Distichonic acid B,MQDGZZFOZKWSKP-UHFFFAOYSA-N
HMDB38754,168.093900384,C13H12,C\C=C/C#CC#C\C=C/C=C/C=C,"InChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7,9,11H,1H2,2H3/b6-4-,7-5+,11-9-",ASVIELUINMCNMW,SZFGQAOXSA,N,"(E,E,E)-1,3,5,11-Tridecatetraene-7,9-diyne",ASVIELUINMCNMW-SZFGQAOXSA-N
HMDB38755,340.13107375,C20H20O5,COC1=C(CC=C(C)C)C(O)=CC2=C1C=C(O2)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H20O5/c1-11(2)4-6-14-17(23)10-19-15(20(14)24-3)9-18(25-19)13-7-5-12(21)8-16(13)22/h4-5,7-10,21-23H,6H2,1-3H3",CNPMAFLUEHEXRE,UHFFFAOYSA,N,Licocoumarone,CNPMAFLUEHEXRE-UHFFFAOYSA-N
HMDB38756,354.146723814,C21H22O5,COC1=CC2=C(C=C(O2)C2=C(O)C=C(O)C=C2)C(OC)=C1CC=C(C)C,"InChI=1S/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3",DKVBYQAVNNRVNN,UHFFFAOYSA,N,Gancaonin I,DKVBYQAVNNRVNN-UHFFFAOYSA-N
HMDB38757,538.13225554,C24H26O14,COC1=C(O)C=C(C=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1,"InChI=1S/C24H26O14/c1-33-10-5-4-8(6-9(10)26)19-23(38-24-17(31)16(30)13(27)11(7-25)36-24)15(29)12-14(28)21(34-2)18(32)22(35-3)20(12)37-19/h4-6,11,13,16-17,24-28,30-32H,7H2,1-3H3",AMJOONKCBORCKA,UHFFFAOYSA,N,Isolimocitrol 3-glucoside,AMJOONKCBORCKA-UHFFFAOYSA-N
HMDB38758,454.344695338,C30H46O3,CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C=CC2=C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O,"InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,21-23,31H,10-18H2,1-7H3,(H,32,33)/t21?,22?,23-,26+,27-,28-,29+,30+/m0/s1",TTYAJXXKGDEWSY,VXMMCASNSA,N,Glypallidifloric acid,TTYAJXXKGDEWSY-VXMMCASNSA-N
HMDB38759,806.408871314,C42H62O15,CC1(C)[C@H](CC[C@@]2(C)C1CC[C@]1(C)C2C=CC2=C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O,"InChI=1S/C42H62O15/c1-37(2)21-10-13-42(7)22(9-8-19-20-18-39(4,36(52)53)15-14-38(20,3)16-17-41(19,42)6)40(21,5)12-11-23(37)54-35-31(27(46)26(45)30(56-35)33(50)51)57-34-28(47)24(43)25(44)29(55-34)32(48)49/h8-9,21-31,34-35,43-47H,10-18H2,1-7H3,(H,48,49)(H,50,51)(H,52,53)/t21?,22?,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1",WPDHECQXVOACTR,GCIJEDABSA,N,Licoricesaponin C2,WPDHECQXVOACTR-GCIJEDABSA-N
HMDB38760,170.057908808,C8H10O4,CC1=C(CO)C(=O)C=C(CO)O1,"InChI=1S/C8H10O4/c1-5-7(4-10)8(11)2-6(3-9)12-5/h2,9-10H,3-4H2,1H3",FEEAMUNPZANTSE,UHFFFAOYSA,N,Herierin III,FEEAMUNPZANTSE-UHFFFAOYSA-N
HMDB38761,170.057908808,C8H10O4,CC(O)C1=COC(CO)=CC1=O,"InChI=1S/C8H10O4/c1-5(10)7-4-12-6(3-9)2-8(7)11/h2,4-5,9-10H,3H2,1H3",QWSHNEPQDNJHHB,UHFFFAOYSA,N,Herierin IV,QWSHNEPQDNJHHB-UHFFFAOYSA-N
HMDB38762,948.253552464,C43H48O24,COC1=C(O)C=CC(\C=C/C(=O)OC2C(OC3=CC(O)=C4C(OC(C5=CC=C(O)C=C5)=C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C4=O)=C3)OC(CO)C(O)C2O)=C1,"InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)48)3-9-27(50)65-39-34(56)30(52)25(14-45)63-42(39)60-19-11-21(49)28-23(12-19)61-37(17-4-6-18(47)7-5-17)38(32(28)54)66-43-40(35(57)31(53)26(15-46)64-43)67-41-36(58)33(55)29(51)24(13-44)62-41/h2-12,24-26,29-31,33-36,39-49,51-53,55-58H,13-15H2,1H3/b9-3-",BERMBHHIFVPPBN,OQFOIZHKSA,N,Kaempferol 3-sophoroside 7-(2-feruloylglucoside),BERMBHHIFVPPBN-OQFOIZHKSA-N
HMDB38763,948.253552464,C43H48O24,COC1=C(O)C=CC(\C=C/C(=O)OC2C(OC3=CC(O)=C4C(OC(C5=CC=C(OC6OC(CO)C(O)C(O)C6O)C=C5)=C(OC5OC(CO)C(O)C(O)C5O)C4=O)=C3)OC(CO)C(O)C2O)=C1,"InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)66-40-35(56)31(52)26(15-46)65-43(40)61-19-11-21(48)28-23(12-19)62-38(39(32(28)53)67-42-37(58)34(55)30(51)25(14-45)64-42)17-4-6-18(7-5-17)60-41-36(57)33(54)29(50)24(13-44)63-41/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3/b9-3-",SJOFKYITWVGVEV,OQFOIZHKSA,N,"Kaempferol 3,4'-diglucoside 7-(2-feruloylglucoside)",SJOFKYITWVGVEV-OQFOIZHKSA-N
HMDB38764,948.253552464,C43H48O24,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)OC(CO)C(O)C2O)=C1,"InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)66-40-35(56)31(52)26(15-46)65-43(40)67-39-32(53)28-21(48)11-19(61-42-37(58)34(55)30(51)25(14-45)64-42)12-23(28)62-38(39)17-4-6-18(7-5-17)60-41-36(57)33(54)29(50)24(13-44)63-41/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3/b9-3+",XDQCEAKLWIPMLQ,YCRREMRBSA,N,"Kaempferol 3-(2-feruloylglucoside) 4',7-diglucoside",XDQCEAKLWIPMLQ-YCRREMRBSA-N
HMDB38765,666.143214156,C29H30O18,OCC1(O)COC(OC2C(O)C(COC(=O)CC(O)=O)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C2O)C1O,"InChI=1S/C29H30O18/c30-9-29(41)10-43-28(26(29)40)46-24-20(37)16(8-42-18(36)7-17(34)35)45-27(22(24)39)47-25-21(38)19-14(33)5-13(32)6-15(19)44-23(25)11-1-3-12(31)4-2-11/h1-6,16,20,22,24,26-28,30-33,37,39-41H,7-10H2,(H,34,35)",OQHJOYJQTQSHRY,UHFFFAOYSA,N,(3''-Apiosyl-6''-malonyl)astragalin,OQHJOYJQTQSHRY-UHFFFAOYSA-N
HMDB38766,594.137340918,C30H26O13,OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C30H26O13/c31-13-21-24(37)26(39)29(42-22(36)10-3-14-1-6-16(32)7-2-14)30(41-21)43-28-25(38)23-19(35)11-18(34)12-20(23)40-27(28)15-4-8-17(33)9-5-15/h1-12,21,24,26,29-35,37,39H,13H2/b10-3+",IKONEAPXVKTZFF,XCVCLJGOSA,N,2''-O-trans-p-Coumaroylastragalin,IKONEAPXVKTZFF-XCVCLJGOSA-N
HMDB38767,726.200729034,C32H38O19,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C32H38O19/c1-10-19(37)23(41)26(44)30(47-10)46-9-17-21(39)24(42)29(51-31-25(43)20(38)15(36)8-45-31)32(49-17)50-28-22(40)18-14(35)6-13(34)7-16(18)48-27(28)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,29-39,41-44H,8-9H2,1H3",LLPRITPJQPQXIR,UHFFFAOYSA,N,Camelliaside B,LLPRITPJQPQXIR-UHFFFAOYSA-N
HMDB38768,756.21129372,C33H40O20,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,"InChI=1S/C33H40O20/c1-10-19(38)29(52-32-25(44)23(42)20(39)16(8-34)50-32)27(46)31(48-10)47-9-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-14(37)6-13(36)7-15(18)49-28(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,29,31-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1",MFIXKYXSBNIMPX,CHLFRWFTSA,N,Kaempferol 3-[glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside],MFIXKYXSBNIMPX-CHLFRWFTSA-N
HMDB38769,786.1854729,C33H38O22,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H38O22/c34-7-14-17(38)20(41)24(45)32(51-14)55-29-22(43)18(39)15(8-35)52-33(29)53-27-19(40)16-12(37)5-11(6-13(16)50-26(27)9-1-3-10(36)4-2-9)49-31-25(46)21(42)23(44)28(54-31)30(47)48/h1-6,14-15,17-18,20-25,28-29,31-39,41-46H,7-8H2,(H,47,48)",BMGVSLWMOUPXTF,UHFFFAOYSA,N,Kaempferol 3-sophoroside 7-glucuronide,BMGVSLWMOUPXTF-UHFFFAOYSA-N
HMDB38770,978.26411715,C44H50O25,COC1=CC(\C=C\C(=O)OC2C(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)OC(CO)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)26(15-47)66-44(40)68-39-33(55)28-20(49)11-19(12-21(28)63-38(39)17-4-6-18(48)7-5-17)62-43-41(36(58)32(54)25(14-46)65-43)69-42-37(59)34(56)30(52)24(13-45)64-42/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3/b8-3+",JLYSGWXWSOZJMT,FPYGCLRLSA,N,Kaempferol 3-(sinapoylglucoside) 7-sophoroside,JLYSGWXWSOZJMT-FPYGCLRLSA-N
HMDB38771,640.163949598,C28H32O17,COC1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C2=O,"InChI=1S/C28H32O17/c1-40-23-12(33)6-11(32)15-18(36)25(22(43-24(15)23)9-2-4-10(31)5-3-9)44-28-26(20(38)17(35)14(8-30)42-28)45-27-21(39)19(37)16(34)13(7-29)41-27/h2-6,13-14,16-17,19-21,26-35,37-39H,7-8H2,1H3",MFWGLPLRRMATKY,UHFFFAOYSA,N,Sexangularetin 3-sophoroside,MFWGLPLRRMATKY-UHFFFAOYSA-N
HMDB38772,492.090390726,C22H20O13,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(C(O)C(O)C1O)C(O)=O)=C(O)C=C2O,"InChI=1S/C22H20O13/c1-32-12-3-2-7(4-8(12)23)13-6-10(25)14-9(24)5-11(26)18(19(14)33-13)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)",CUIJPIJRAYLBAL,UHFFFAOYSA,N,8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,CUIJPIJRAYLBAL-UHFFFAOYSA-N
HMDB38773,550.147511674,C29H26O11,COC1=CC=C(C=C1)C1=COC2=C(C=CC(OC3OC(CO)C(O)C(O)C3OC(=O)C3=CC=C(O)C=C3)=C2)C1=O,"InChI=1S/C29H26O11/c1-36-18-8-4-15(5-9-18)21-14-37-22-12-19(10-11-20(22)24(21)32)38-29-27(26(34)25(33)23(13-30)39-29)40-28(35)16-2-6-17(31)7-3-16/h2-12,14,23,25-27,29-31,33-34H,13H2,1H3",PDHVVKASGTXJHE,UHFFFAOYSA,N,Formononetin 7-(2-p-hydroxybenzoylglucoside),PDHVVKASGTXJHE-UHFFFAOYSA-N
HMDB38774,356.125988372,C20H20O6,C\C(CO)=C/CC1=C(O)C=CC2=C1OCC(C2=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H20O6/c1-11(9-21)2-4-14-17(23)7-6-15-19(25)16(10-26-20(14)15)13-5-3-12(22)8-18(13)24/h2-3,5-8,16,21-24H,4,9-10H2,1H3/b11-2+",VPCRIHAWNUNORJ,BIIKFXOESA,N,5-Deoxykievitol,VPCRIHAWNUNORJ-BIIKFXOESA-N
HMDB38775,434.121296924,C21H22O10,OCC1OC(OC2=C(O)C3=C(C(=O)CC(O3)C3=CC=CC=C3)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C21H22O10/c22-8-14-16(25)18(27)19(28)21(31-14)30-13-7-11(24)15-10(23)6-12(29-20(15)17(13)26)9-4-2-1-3-5-9/h1-5,7,12,14,16,18-19,21-22,24-28H,6,8H2",BDRAFLNAVDEXHK,UHFFFAOYSA,N,"5,7,8-Trihydroxyflavanone 7-glucoside",BDRAFLNAVDEXHK-UHFFFAOYSA-N
HMDB38776,518.142426296,C25H26O12,COC1=CC2=C(C=C1)C1COC3=C(C=CC(OC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O)=C3)C1O2,"InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)",BQAJKXKYTQTBDK,UHFFFAOYSA,N,Medicarpin 3-O-(6'-malonylglucoside),BQAJKXKYTQTBDK-UHFFFAOYSA-N
HMDB38777,532.121690854,C25H24O13,CC(=O)OCC1OC(C(OC(C)=O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3",IOPSQVHEVILLRN,UHFFFAOYSA,N,"2'',6''-Diacetylorientin",IOPSQVHEVILLRN-UHFFFAOYSA-N
HMDB38778,284.104859,C17H16O4,COC1=CC(OC)=C2C(C=CC3=CC(OC)=C(O)C=C23)=C1,"InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3",KGYHMWVRKYFQQR,UHFFFAOYSA,N,Batatasin I,KGYHMWVRKYFQQR-UHFFFAOYSA-N
HMDB38779,542.073026102,C22H22O14S,COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(CO)C(O)C(O)C1OS(O)(=O)=O)=C(O)C=C2O,"InChI=1S/C22H22O14S/c1-32-10-4-2-9(3-5-10)14-7-12(25)16-11(24)6-13(26)19(20(16)33-14)35-22-21(36-37(29,30)31)18(28)17(27)15(8-23)34-22/h2-7,15,17-18,21-24,26-28H,8H2,1H3,(H,29,30,31)",ICXGFKZMXFCHLZ,UHFFFAOYSA,N,4'-Methylisoscutellarein 8-(2''-sulfoglucoside),ICXGFKZMXFCHLZ-UHFFFAOYSA-N
HMDB38780,316.13107375,C18H20O5,COC1=CC(OC)=C(OC)C=C1C1COC2=C(C1)C=CC(O)=C2,"InChI=1S/C18H20O5/c1-20-16-9-18(22-3)17(21-2)8-14(16)12-6-11-4-5-13(19)7-15(11)23-10-12/h4-5,7-9,12,19H,6,10H2,1-3H3",RXXVCVOYIGXBFH,UHFFFAOYSA,N,"7-Hydroxy-2',4',5'-trimethoxyisoflavan",RXXVCVOYIGXBFH-UHFFFAOYSA-N
HMDB38781,260.177630012,C17H24O2,CCCCCCCC(O)\C=C/C#CC#CC(O)C=C,"InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12-",DSVMWGREWREVQQ,QINSGFPZSA,N,"1,8-Heptadecadiene-4,6-diyne-3,10-diol",DSVMWGREWREVQQ-QINSGFPZSA-N
HMDB38782,262.193280076,C17H26O2,CCCCCCCCC(O)CC#CC#CC(O)C=C,"InChI=1S/C17H26O2/c1-3-5-6-7-8-10-14-17(19)15-12-9-11-13-16(18)4-2/h4,16-19H,2-3,5-8,10,14-15H2,1H3",WNSUMUNACHNURC,UHFFFAOYSA,N,"1-Heptadecene-4,6-diyne-3,9-diol",WNSUMUNACHNURC-UHFFFAOYSA-N
HMDB38783,172.146329884,C10H20O2,CCOC(C)OCC\C=C\CC,"InChI=1S/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+",PAEBAEDUARAOSG,VOTSOKGWSA,N,(Z)-1-(1-Ethoxyethoxy)-3-hexene,PAEBAEDUARAOSG-VOTSOKGWSA-N
HMDB38784,296.141244506,C19H20O3,CC(C)=CCC1=C(O)C=C(\C=C/C2=CC=C(O)C=C2)C=C1O,"InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-9,11-12,20-22H,10H2,1-2H3/b5-4-",WWFOQQIWOKJBSJ,PLNGDYQASA,N,(E)-Arachidin II,WWFOQQIWOKJBSJ-PLNGDYQASA-N
HMDB38785,418.199153314,C23H30O7,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3C(CC(C)(C)C3O)C=C(CO)C12O,"InChI=1S/C23H30O7/c1-11-5-14(25)7-15(26)17(11)20(28)30-16-9-22(4)18-12(8-21(2,3)19(18)27)6-13(10-24)23(16,22)29/h5-7,12,16,18-19,24-27,29H,8-10H2,1-4H3",SWVWDNGFQHDELB,UHFFFAOYSA,N,Melleolide E,SWVWDNGFQHDELB-UHFFFAOYSA-N
HMDB38786,416.18350325,C23H28O7,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3C(CC(C)(C)C3O)C=C(C=O)C12O,"InChI=1S/C23H28O7/c1-11-5-14(25)7-15(26)17(11)20(28)30-16-9-22(4)18-12(8-21(2,3)19(18)27)6-13(10-24)23(16,22)29/h5-7,10,12,16,18-19,25-27,29H,8-9H2,1-4H3",VNRLQDGXGABKPC,UHFFFAOYSA,N,10-Hydroxymelleolide,VNRLQDGXGABKPC-UHFFFAOYSA-N
HMDB38787,432.214803378,C24H32O7,COC1=CC(O)=C(C(=O)OC2CC3(C)C4C(CC(C)(C)C4O)C=C(CO)C23O)C(C)=C1,"InChI=1S/C24H32O7/c1-12-6-15(30-5)8-16(26)18(12)21(28)31-17-10-23(4)19-13(9-22(2,3)20(19)27)7-14(11-25)24(17,23)29/h6-8,13,17,19-20,25-27,29H,9-11H2,1-5H3",NHDJKXOHRUHQHG,UHFFFAOYSA,N,Melleolide B,NHDJKXOHRUHQHG-UHFFFAOYSA-N
HMDB38788,430.199153314,C24H30O7,COC1=CC(O)=C(C(=O)OC2CC3(C)C4C(CC(C)(C)C4O)C=C(C=O)C23O)C(C)=C1,"InChI=1S/C24H30O7/c1-12-6-15(30-5)8-16(26)18(12)21(28)31-17-10-23(4)19-13(9-22(2,3)20(19)27)7-14(11-25)24(17,23)29/h6-8,11,13,17,19-20,26-27,29H,9-10H2,1-5H3",NQAHWJIWYRYXFP,UHFFFAOYSA,N,Melleolide H,NQAHWJIWYRYXFP-UHFFFAOYSA-N
HMDB38789,452.07771755,C20H20O10S,COC1=CC2=C(OCC(C2OS(O)(=O)=O)C2=C(O)C(OC)=CC(\C=C\C(O)=O)=C2)C=C1,"InChI=1S/C20H20O10S/c1-27-12-4-5-16-14(9-12)20(30-31(24,25)26)15(10-29-16)13-7-11(3-6-18(21)22)8-17(28-2)19(13)23/h3-9,15,20,23H,10H2,1-2H3,(H,21,22)(H,24,25,26)/b6-3+",XKGLTSPFQHSIDD,ZZXKWVIFSA,N,Torvanol A,XKGLTSPFQHSIDD-ZZXKWVIFSA-N
HMDB38790,160.088815006,C11H12O,C=CC(CC=O)C1=CC=CC=C1,"InChI=1S/C11H12O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2",XQTAGXUFCZLHIQ,UHFFFAOYSA,N,3-Phenyl-4-pentenal,XQTAGXUFCZLHIQ-UHFFFAOYSA-N
HMDB38791,206.079906578,C9H18OS2,CCC1OC(CC)SC(CC)S1,"InChI=1S/C9H18OS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3",GQNYEPIOQFSEAZ,UHFFFAOYSA,N,"2,4,6-Triethyl-1,3,5-oxadithiane",GQNYEPIOQFSEAZ-UHFFFAOYSA-N
HMDB38792,139.099714043,C8H13NO,CCCCCC1=CN=CO1,"InChI=1S/C8H13NO/c1-2-3-4-5-8-6-9-7-10-8/h6-7H,2-5H2,1H3",RZCKQDLMEGXPFA,UHFFFAOYSA,N,5-Pentyloxazole,RZCKQDLMEGXPFA-UHFFFAOYSA-N
HMDB38793,432.214803378,C24H32O7,COC1=CC(O)=C(C(=O)OC2CC3(C)C4CC(C)(CO)CC4C=C(CO)C23O)C(C)=C1,"InChI=1S/C24H32O7/c1-13-5-16(30-4)7-18(27)20(13)21(28)31-19-10-23(3)17-9-22(2,12-26)8-14(17)6-15(11-25)24(19,23)29/h5-7,14,17,19,25-27,29H,8-12H2,1-4H3",GGQLLLSSCCXUBL,UHFFFAOYSA,N,Melleolide G,GGQLLLSSCCXUBL-UHFFFAOYSA-N
HMDB38794,248.141244506,C15H20O3,CC12COC3(C1)C(=C2)C(O)C(=C)C1(CC1)C3(C)O,"InChI=1S/C15H20O3/c1-9-11(16)10-6-12(2)7-15(10,18-8-12)13(3,17)14(9)4-5-14/h6,11,16-17H,1,4-5,7-8H2,2-3H3",WLMXEYUIRPFYIT,UHFFFAOYSA,N,"2,12-Epoxy-7(14)-illudadiene-3,8-diol",WLMXEYUIRPFYIT-UHFFFAOYSA-N
HMDB38795,234.161979948,C15H22O2,CC1(C)CC2C(=C1)C=C(CO)C1(CC1)C2(C)O,"InChI=1S/C15H22O2/c1-13(2)7-10-6-11(9-16)15(4-5-15)14(3,17)12(10)8-13/h6-7,12,16-17H,4-5,8-9H2,1-3H3",YEDYYAKSTVQMBN,UHFFFAOYSA,N,"7,9-Illudadiene-3,14-diol",YEDYYAKSTVQMBN-UHFFFAOYSA-N
HMDB38796,234.161979948,C15H22O2,CC1(C)CC2=C(CO)C3(CC3)C(=C)CC2C1O,"InChI=1S/C15H22O2/c1-9-6-10-11(7-14(2,3)13(10)17)12(8-16)15(9)4-5-15/h10,13,16-17H,1,4-8H2,2-3H3",ZVWRQSVBGORCLN,UHFFFAOYSA,N,"2,7(14)-Illudadiene-10,15-diol",ZVWRQSVBGORCLN-UHFFFAOYSA-N
HMDB38797,468.323959896,C30H44O4,C[C@@]12C[C@@H](OC1=O)[C@]1(C)CC[C@]3(C)C(C=CC4[C@@]5(C)CC[C@H](O)[C@](C)(CO)C5CC[C@@]34C)=C1C2,"InChI=1S/C30H44O4/c1-25-15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(16-25)34-24(25)33/h7-8,20-23,31-32H,9-17H2,1-6H3/t20?,21?,22-,23+,25+,26+,27-,28+,29+,30+/m0/s1",RIARKSMMKCXBML,CTNZCSMESA,N,Uralenolide,RIARKSMMKCXBML-CTNZCSMESA-N
HMDB38798,296.198759384,C17H28O4,CC(=O)OCC(C)(O)[C@@H]1CCC(C)=CCC[C@@](C)(O)\C=C\1,"InChI=1S/C17H28O4/c1-13-6-5-10-16(3,19)11-9-15(8-7-13)17(4,20)12-21-14(2)18/h6,9,11,15,19-20H,5,7-8,10,12H2,1-4H3/b11-9+,13-6-/t15-,16-,17?/m1/s1",RTFVWCRRSNVOBR,AEUJFMECSA,N,"(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol",RTFVWCRRSNVOBR-AEUJFMECSA-N
HMDB38799,458.375995466,C30H50O3,[H][C@@]12CC[C@]3(C)[C@]([H])(C[C@H](O)C4[C@]5(C)C(CC[C@@]34C)C(C)(C)CCC5=O)[C@@]1(C)CCC(O)C2(C)C,"InChI=1S/C30H50O3/c1-25(2)13-11-23(33)30(8)19(25)9-16-29(7)24(30)18(31)17-21-27(5)14-12-22(32)26(3,4)20(27)10-15-28(21,29)6/h18-22,24,31-32H,9-17H2,1-8H3/t18-,19?,20-,21+,22?,24?,27-,28+,29+,30+/m0/s1",GGVUQGXIFKUXHY,RFXAPONZSA,N,Coriandrinonediol,GGVUQGXIFKUXHY-RFXAPONZSA-N
HMDB38800,458.375995466,C30H50O3,[H][C@]12CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)C[C@H](O)[C@@]1(CO)CC=C(C)[C@@H](C)C21,"InChI=1S/C30H50O3/c1-18-10-15-30(17-31)24(33)16-29(7)20(25(30)19(18)2)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h10,19-25,31-33H,8-9,11-17H2,1-7H3/t19-,20-,21?,22?,23+,24+,25?,27+,28-,29-,30+/m1/s1",SAJCKXGPHBRCAY,GFNMRPMFSA,N,Heterobetulin,SAJCKXGPHBRCAY-GFNMRPMFSA-N
HMDB38801,458.375995466,C30H50O3,[H][C@]12CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)C[C@H](O)[C@@]1(CO)CCC(=C)[C@@H](C)C21,"InChI=1S/C30H50O3/c1-18-10-15-30(17-31)24(33)16-29(7)20(25(30)19(18)2)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3/t19-,20-,21?,22?,23+,24+,25?,27+,28-,29-,30+/m1/s1",JLWXUZXYUMVXPU,GFNMRPMFSA,N,Heliantriol B1,JLWXUZXYUMVXPU-GFNMRPMFSA-N
HMDB38802,458.375995466,C30H50O3,CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)C(O)C=C1C,"InChI=1S/C30H50O3/c1-17-15-23(32)30(8)24(33)16-29(7)19(25(30)18(17)2)9-10-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h15,18-25,31-33H,9-14,16H2,1-8H3",SCAPWGHHHZEERU,UHFFFAOYSA,N,Heliantriol C,SCAPWGHHHZEERU-UHFFFAOYSA-N
HMDB38803,458.375995466,C30H50O3,CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CC=C1CO,"InChI=1S/C30H50O3/c1-18-19(17-31)10-13-28(5)24(33)16-30(7)20(25(18)28)8-9-22-27(4)14-12-23(32)26(2,3)21(27)11-15-29(22,30)6/h10,18,20-25,31-33H,8-9,11-17H2,1-7H3",IWSSUQMYGYYLOJ,UHFFFAOYSA,N,Heliantriol F,IWSSUQMYGYYLOJ-UHFFFAOYSA-N
HMDB38804,250.120509064,C14H18O4,CC1=C(O)C(C)=C2CCC(C)(OC2=C1C)C(O)=O,"InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)",GLEVLJDDWXEYCO,UHFFFAOYSA,N,"3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid",GLEVLJDDWXEYCO-UHFFFAOYSA-N
HMDB38805,358.10525293,C19H18O7,CCOC1CC2C(O1)OC1=C2C2=C(C3=C(C(=O)CC3)C(=O)O2)C(OC)=C1,"InChI=1S/C19H18O7/c1-3-23-13-6-9-16-12(24-19(9)25-13)7-11(22-2)15-8-4-5-10(20)14(8)18(21)26-17(15)16/h7,9,13,19H,3-6H2,1-2H3",PPRSMUWPTLLGMJ,UHFFFAOYSA,N,Aflatoxin ExB2,PPRSMUWPTLLGMJ-UHFFFAOYSA-N
HMDB38806,328.058302738,C17H12O7,COC1=CC2=C(C3C=COC3O2)C2=C1C1=C(C(=O)C(O)C1)C(=O)O2,"InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-12(9)7-4-8(18)14(19)13(7)16(20)24-15/h2-3,5-6,8,17-18H,4H2,1H3",JUJRETIUKMEFIA,UHFFFAOYSA,N,Aflatoxin M4,JUJRETIUKMEFIA-UHFFFAOYSA-N
HMDB38807,344.089602866,C18H16O7,COC1CC2C(O1)OC1=C2C2=C(C3=C(C(=O)CC3)C(=O)O2)C(OC)=C1,"InChI=1S/C18H16O7/c1-21-10-6-11-15(8-5-12(22-2)24-18(8)23-11)16-14(10)7-3-4-9(19)13(7)17(20)25-16/h6,8,12,18H,3-5H2,1-2H3",QKCJGDIUSFKBPI,UHFFFAOYSA,N,Aflatoxin Ex2B1,QKCJGDIUSFKBPI-UHFFFAOYSA-N
HMDB38808,504.090390726,C23H20O13,CC(=O)O[C@@H]1[C@@H](O)[C@H](OC2=CC(=CC=C2O)C2=CC(=O)C3=C(O2)C=C(O)C=C3O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C23H20O13/c1-8(24)33-20-18(29)21(22(31)32)36-23(19(20)30)35-15-4-9(2-3-11(15)26)14-7-13(28)17-12(27)5-10(25)6-16(17)34-14/h2-7,18-21,23,25-27,29-30H,1H3,(H,31,32)/t18-,19+,20-,21-,23+/m0/s1",ODVPGHBKUZXZJN,DXGJXXFVSA,N,Luteolin 3'-(3''-acetylglucuronide),ODVPGHBKUZXZJN-DXGJXXFVSA-N
HMDB38809,624.13264947,C27H28O17,OCC1OC(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C3O2)C(O)C(O)C1O,"InChI=1S/C27H28O17/c28-7-16-18(32)19(33)22(36)27(43-16)42-13-2-1-8(3-10(13)29)14-6-12(31)17-11(30)4-9(5-15(17)41-14)40-26-23(37)20(34)21(35)24(44-26)25(38)39/h1-6,16,18-24,26-30,32-37H,7H2,(H,38,39)",DUNZXXOAZWJFBE,UHFFFAOYSA,N,Luteolin 4'-glucoside 7-galacturonide,DUNZXXOAZWJFBE-UHFFFAOYSA-N
HMDB38810,608.174120354,C28H32O15,COC1=CC(O)=C2C(=O)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)=C(OC2=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C28H32O15/c1-9-18(32)20(34)22(36)27(39-9)42-24-10(2)40-28(23(37)21(24)35)43-26-19(33)17-15(31)7-12(38-3)8-16(17)41-25(26)11-4-5-13(29)14(30)6-11/h4-10,18,20-24,27-32,34-37H,1-3H3",DGFGSUOQDJHNFL,UHFFFAOYSA,N,Rhamnetin 3-(4-rhamnosylrhamnoside),DGFGSUOQDJHNFL-UHFFFAOYSA-N
HMDB38811,298.084123558,C17H14O5,COC1=CC=C(C=C1)C1=COC2=CC(OC)=C(O)C=C2C1=O,"InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-16(21-2)14(18)7-12(15)17(13)19/h3-9,18H,1-2H3",CQULNEWSZBPFNL,UHFFFAOYSA,N,Alfalone,CQULNEWSZBPFNL-UHFFFAOYSA-N
HMDB38812,300.099773622,C17H16O5,COC1=CC(O)=CC(OC)=C1C(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C17H16O5/c1-21-15-9-13(19)10-16(22-2)17(15)14(20)8-5-11-3-6-12(18)7-4-11/h3-10,18-19H,1-2H3/b8-5+",SJULMVKFURWCFM,VMPITWQZSA,N,"4,4'-Dihydroxy-2',6'-dimethoxychalcone",SJULMVKFURWCFM-VMPITWQZSA-N
HMDB38813,624.169034976,C28H32O16,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)=C(O)C=C2O,"InChI=1S/C28H32O16/c1-40-15-4-9(2-3-10(15)31)14-6-13(34)18-11(32)5-12(33)19(25(18)41-14)26-27(23(38)21(36)16(7-29)42-26)44-28-24(39)22(37)20(35)17(8-30)43-28/h2-6,16-17,20-24,26-33,35-39H,7-8H2,1H3",CUIBWAIUPCYNQR,UHFFFAOYSA,N,Scoparin 2''-glucoside,CUIBWAIUPCYNQR-UHFFFAOYSA-N
HMDB38814,594.15847029,C27H30O15,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O)=C(O)C=C2O,"InChI=1S/C27H30O15/c1-38-16-4-9(2-3-10(16)29)15-6-13(32)18-11(30)5-12(31)19(24(18)40-15)25-26(22(36)21(35)17(7-28)41-25)42-27-23(37)20(34)14(33)8-39-27/h2-6,14,17,20-23,25-31,33-37H,7-8H2,1H3",ZMXRYFUILUMXHH,UHFFFAOYSA,N,Scoparin 2''-xyloside,ZMXRYFUILUMXHH-UHFFFAOYSA-N
HMDB38815,368.162373878,C22H24O5,COC1=CC(OC)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1CC=C(C)C,"InChI=1S/C22H24O5/c1-14(2)5-11-17-19(26-3)13-20(27-4)21(22(17)25)18(24)12-8-15-6-9-16(23)10-7-15/h5-10,12-13,23,25H,11H2,1-4H3/b12-8+",UVBDKJHYMQEAQV,XYOKQWHBSA,N,"2',4-Dihydroxy-4',6'-dimethoxy-3'-prenylchalcone",UVBDKJHYMQEAQV-XYOKQWHBSA-N
HMDB38816,490.111126168,C23H22O12,CC(=O)OC1C(O)C(O)C(CO)OC1C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C23H22O12/c1-8(25)33-23-21(32)19(30)16(7-24)35-22(23)18-13(29)6-15-17(20(18)31)12(28)5-14(34-15)9-2-3-10(26)11(27)4-9/h2-6,16,19,21-24,26-27,29-32H,7H2,1H3",LZCYTIIPENLJKB,UHFFFAOYSA,N,2''-O-Acetylisoorientin,LZCYTIIPENLJKB-UHFFFAOYSA-N
HMDB38817,532.121690854,C25H24O13,CC(=O)OCC1OC(C(OC(C)=O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C25H24O13/c1-9(26)35-8-18-21(32)23(34)25(36-10(2)27)24(38-18)20-15(31)7-17-19(22(20)33)14(30)6-16(37-17)11-3-4-12(28)13(29)5-11/h3-7,18,21,23-25,28-29,31-34H,8H2,1-2H3",JBEPAVBUODEETF,UHFFFAOYSA,N,"2'',6''-Di-O-acetylisoorientin",JBEPAVBUODEETF-UHFFFAOYSA-N
HMDB38818,594.15847029,C27H30O15,CC1OC(OCC2OC(C(O)C(O)C2O)C2=C(O)C3=C(OC(=CC3=O)C3=CC(O)=C(O)C=C3)C=C2O)C(O)C(O)C1O,"InChI=1S/C27H30O15/c1-8-19(32)22(35)25(38)27(40-8)39-7-16-20(33)23(36)24(37)26(42-16)18-13(31)6-15-17(21(18)34)12(30)5-14(41-15)9-2-3-10(28)11(29)4-9/h2-6,8,16,19-20,22-29,31-38H,7H2,1H3",UUADGBNGCDJIKC,UHFFFAOYSA,N,Isoorientin 6''-rhamnoside,UUADGBNGCDJIKC-UHFFFAOYSA-N
HMDB38819,608.174120354,C28H32O15,COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C28H32O15/c1-9-18(32)21(35)23(37)27(39-9)43-26-22(36)19(33)10(2)40-28(26)42-25-20(34)17-14(31)7-12(29)8-16(17)41-24(25)11-4-5-13(30)15(6-11)38-3/h4-10,18-19,21-23,26-33,35-37H,1-3H3",FZQRUXCCSWOZFJ,UHFFFAOYSA,N,Calendoflaside,FZQRUXCCSWOZFJ-UHFFFAOYSA-N
HMDB38820,564.111520098,C25H24O15,COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC(=O)CC(O)=O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C25H24O15/c1-36-13-4-9(2-3-11(13)27)23-24(20(33)18-12(28)5-10(26)6-14(18)38-23)40-25-22(35)21(34)19(32)15(39-25)8-37-17(31)7-16(29)30/h2-6,15,19,21-22,25-28,32,34-35H,7-8H2,1H3,(H,29,30)",QCPKSTMYFZPGOX,UHFFFAOYSA,N,Isorhamnetin 3-(6''-malonylglucoside),QCPKSTMYFZPGOX-UHFFFAOYSA-N
HMDB38821,446.121296924,C22H22O10,COC1=CC=C(C=C1O)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC=C2C1=O,"InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3",WACBUPFEGWUGPB,UHFFFAOYSA,N,Calycosin 7-galactoside,WACBUPFEGWUGPB-UHFFFAOYSA-N
HMDB38822,741.187818624,C32H37O20,COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(COC(=O)CC(O)=O)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1,"InChI=1S/C32H36O20/c1-45-16-3-11(4-17(46-2)23(16)38)30-18(50-32-29(44)27(42)25(40)20(52-32)10-47-22(37)8-21(35)36)7-13-14(48-30)5-12(34)6-15(13)49-31-28(43)26(41)24(39)19(9-33)51-31/h3-7,19-20,24-29,31-33,39-44H,8-10H2,1-2H3,(H2-,34,35,36,38)/p+1",JVWKTROBNQKVEQ,UHFFFAOYSA,O,Malvidin 3-(6-malonylglucoside) 5-glucoside,JVWKTROBNQKVEQ-UHFFFAOYSA-O
HMDB38823,934.259031772,C39H50O26,CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C3C(=O)C(OC4OC(C)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C39H50O26/c1-9-20(45)26(51)30(55)36(57-9)64-35-29(54)24(49)18(8-41)62-39(35)59-12-5-13(42)19-16(6-12)60-32(11-3-14(43)22(47)15(44)4-11)33(25(19)50)63-38-34(28(53)21(46)10(2)58-38)65-37-31(56)27(52)23(48)17(7-40)61-37/h3-6,9-10,17-18,20-21,23-24,26-31,34-49,51-56H,7-8H2,1-2H3",MDVBIZMWGMCMKQ,UHFFFAOYSA,N,Myricetin 3-[glucosyl-(1->2)-rhamnoside] 7-[rhamnosyl-(1->2)-glucoside],MDVBIZMWGMCMKQ-UHFFFAOYSA-N
HMDB38824,626.148299534,C27H30O17,OCC1OC(OCC2OC(OC3=C(O)C=C(O)C4=C3OC(=CC4=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O17/c28-6-15-18(34)20(36)22(38)26(42-15)40-7-16-19(35)21(37)23(39)27(43-16)44-24-13(33)4-11(31)17-12(32)5-14(41-25(17)24)8-1-2-9(29)10(30)3-8/h1-5,15-16,18-23,26-31,33-39H,6-7H2",AQHGCHUVXUMKOP,UHFFFAOYSA,N,Hypoletin 8-gentiobioside,AQHGCHUVXUMKOP-UHFFFAOYSA-N
HMDB38825,492.126776232,C23H24O12,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC1OC(CO)C(O)C(O)C1O)C=C2O,"InChI=1S/C23H24O12/c1-31-14-5-9(3-4-10(14)25)13-6-11(26)17-12(27)7-15(21(32-2)22(17)33-13)34-23-20(30)19(29)18(28)16(8-24)35-23/h3-7,16,18-20,23-25,27-30H,8H2,1-2H3",XXUHDKDDHQURGH,UHFFFAOYSA,N,"3',8-Dimethoxyapigenin 7-glucoside",XXUHDKDDHQURGH-UHFFFAOYSA-N
HMDB38826,831.234768816,C39H43O20,COC1=CC(\C=C\C(=O)OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC(OC)=C(O)C=C3)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C39H42O20/c1-51-23-10-17(5-6-20(23)42)36-26(13-19-21(43)11-18(41)12-22(19)55-36)56-39-35(50)33(48)37(28(58-39)15-54-38-34(49)32(47)31(46)27(14-40)57-38)59-29(44)7-4-16-8-24(52-2)30(45)25(9-16)53-3/h4-13,27-28,31-35,37-40,46-50H,14-15H2,1-3H3,(H3-,41,42,43,44,45)/p+1",GHSMFVLHRTWFOO,UHFFFAOYSA,O,Alatanin 2,GHSMFVLHRTWFOO-UHFFFAOYSA-O
HMDB38827,347.188529049,C23H25NO2,CC1=CC2=C3N(C4=CC=CC=C24)C(C)(C)C2CC(O)C4(C)CC2C3=C1O4,"InChI=1S/C23H25NO2/c1-12-9-14-13-7-5-6-8-17(13)24-20(14)19-15-11-23(4,26-21(12)19)18(25)10-16(15)22(24,2)3/h5-9,15-16,18,25H,10-11H2,1-4H3",SIYXICWJEWHFMI,UHFFFAOYSA,N,Murrayazolinol,SIYXICWJEWHFMI-UHFFFAOYSA-N
HMDB38828,347.188529049,C23H25NO2,CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C=C2)C2=C(N1)C=C(O)C(C)=C2,"InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-17-21(26-23)8-7-16-18-12-15(3)20(25)13-19(18)24-22(16)17/h6-9,11-13,24-25H,5,10H2,1-4H3",WWXYBSVWYPHUPZ,UHFFFAOYSA,N,Pyrafoline D,WWXYBSVWYPHUPZ-UHFFFAOYSA-N
HMDB38829,610.13225554,C30H26O14,O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1C1=C(C=C(O)C(O)=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2,"InChI=1S/C30H26O14/c31-9-1-15(33)11-5-19(37)29(43-21(11)3-9)13-7-17(35)25(39)27(41)23(13)24-14(8-18(36)26(40)28(24)42)30-20(38)6-12-16(34)2-10(32)4-22(12)44-30/h1-4,7-8,19-20,29-42H,5-6H2/t19-,20-,29-,30-/m1/s1",JPBGHWKYWUEIOT,XYTTVBAYSA,N,Theasinensin C,JPBGHWKYWUEIOT-XYTTVBAYSA-N
HMDB38830,898.15925815,C44H34O21,OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C=C2C2=C(C=C(O)C(O)=C2O)[C@H]2OC3=C(C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=CC(O)=C3)C(O)=C1,"InChI=1S/C44H34O21/c45-16-5-23(47)20-12-34(64-43(60)14-1-27(51)37(56)28(52)2-14)41(62-32(20)7-16)19-10-26(50)25(49)9-18(19)36-22(11-31(55)39(58)40(36)59)42-35(13-21-24(48)6-17(46)8-33(21)63-42)65-44(61)15-3-29(53)38(57)30(54)4-15/h1-11,34-35,41-42,45-59H,12-13H2/t34-,35-,41-,42-/m1/s1",JLFHSPGTENNODT,WLDZFSAMSA,N,Theasinensin F,JLFHSPGTENNODT-WLDZFSAMSA-N
HMDB38831,436.115817616,C24H20O8,OC1=CC2=C(C[C@@H](OC(=O)\C=C\C3=CC=CC=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1,"InChI=1S/C24H20O8/c25-15-10-17(26)16-12-21(31-22(29)7-6-13-4-2-1-3-5-13)24(32-20(16)11-15)14-8-18(27)23(30)19(28)9-14/h1-11,21,24-28,30H,12H2/b7-6+/t21-,24-/m1/s1",GQGIIUWXMCBYIJ,UMMIVNDFSA,N,(-)-Epigallocatechin 3-cinnamate,GQGIIUWXMCBYIJ-UMMIVNDFSA-N
HMDB38832,298.168127958,C18H22N2O2,CN1C(O)CC2=CC=C(C=C2)N(C)C(O)CC2=CC=C1C=C2,"InChI=1S/C18H22N2O2/c1-19-15-7-3-14(4-8-15)12-18(22)20(2)16-9-5-13(6-10-16)11-17(19)21/h3-10,17-18,21-22H,11-12H2,1-2H3",ZKYBZOKMKHPBAJ,UHFFFAOYSA,N,"2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI",ZKYBZOKMKHPBAJ-UHFFFAOYSA-N
HMDB38833,279.125928793,C18H17NO2,CC1=C2OC(C)(C)C=CC2=C2NC3=C(C=CC(O)=C3)C2=C1,"InChI=1S/C18H17NO2/c1-10-8-14-12-5-4-11(20)9-15(12)19-16(14)13-6-7-18(2,3)21-17(10)13/h4-9,19-20H,1-3H3",RIEXGJSQJLHVLX,UHFFFAOYSA,N,Murrayamine A,RIEXGJSQJLHVLX-UHFFFAOYSA-N
HMDB38834,273.136493479,C16H19NO3,O=C(\C=C\CCC1=CC2=C(OCO2)C=C1)N1CCCC1,"InChI=1S/C16H19NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h2,6-8,11H,1,3-5,9-10,12H2/b6-2+",XZTCTKKANUDQCW,QHHAFSJGSA,N,(2E)-Piperamide-C5:1,XZTCTKKANUDQCW-QHHAFSJGSA-N
HMDB38835,201.115364107,C13H15NO,O=C(\C=C/C1=CC=CC=C1)N1CCCC1,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2/b9-8-",JSIGICUAXLIURX,HJWRWDBZSA,N,(E)-1-Cinnamoylpyrrolidine,JSIGICUAXLIURX-HJWRWDBZSA-N
HMDB38836,431.339944311,C27H45NO3,CC1CNC2C(C)C3C(CC4C5CCC6CC(O)CCC6(C)C5CCC34C)OC2(O)C1,"InChI=1S/C27H45NO3/c1-15-13-27(30)24(28-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,28-30H,5-14H2,1-4H3",ZHFCFFSSVSIEIR,UHFFFAOYSA,N,Solanocardinol,ZHFCFFSSVSIEIR-UHFFFAOYSA-N
HMDB38837,347.188529049,C23H25NO2,CC(C)=CCCC1(C)OC2=C(C)C=C3C(NC4=C3C=CC(O)=C4)=C2C=C1,"InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-18-21-19(12-15(3)22(18)26-23)17-8-7-16(25)13-20(17)24-21/h6-9,11-13,24-25H,5,10H2,1-4H3",DWMBXHWBPZZCTN,UHFFFAOYSA,N,(R)-Mahanine,DWMBXHWBPZZCTN-UHFFFAOYSA-N
HMDB38838,265.146664235,C18H19NO,CN(CCC1=CC=CC=C1)C(=O)\C=C/C1=CC=CC=C1,"InChI=1S/C18H19NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-13H,14-15H2,1H3/b13-12-",FXOMVQIRHBIDBI,SEYXRHQNSA,N,Lansiumamide C,FXOMVQIRHBIDBI-SEYXRHQNSA-N
HMDB38839,231.125928793,C14H17NO2,COC1=CC=CC(\C=C\C(=O)N2CCCC2)=C1,"InChI=1S/C14H17NO2/c1-17-13-6-4-5-12(11-13)7-8-14(16)15-9-2-3-10-15/h4-8,11H,2-3,9-10H2,1H3/b8-7+",LAPTWLCIZWFMJK,BQYQJAHWSA,N,1-(m-Methoxycinnamoyl)pyrrolidine,LAPTWLCIZWFMJK-BQYQJAHWSA-N
HMDB38840,221.177964363,C14H23NO,CCCCC\C=C/C=C/C(=O)N1CCCC1,"InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-8,11H,2-5,9-10,12-13H2,1H3/b7-6-,11-8+",BFZBGTMIBOQWBA,BQGCWICQSA,N,Sarmentine,BFZBGTMIBOQWBA-BQGCWICQSA-N
HMDB38841,249.209264491,C16H27NO,CCCCCCC\C=C\C=C\C(=O)N1CCCC1,"InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h8-10,13H,2-7,11-12,14-15H2,1H3/b9-8+,13-10+",UAIYHWLHQSKQLW,PEGOPYGQSA,N,"2,4-Dodecadienoic acid pyrrolidide",UAIYHWLHQSKQLW-PEGOPYGQSA-N
HMDB38842,451.475315579,C30H61NO,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(C)C,"InChI=1S/C30H61NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(32)31-28-29(2)3/h29H,4-28H2,1-3H3,(H,31,32)",YFTBALWTXJWGFU,UHFFFAOYSA,N,Longamide,YFTBALWTXJWGFU-UHFFFAOYSA-N
HMDB38843,483.236935803,C26H33N3O6,COC1=C(O)C=CC(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\C2=CC(O)=C(O)C=C2)=C1,"InChI=1S/C26H33N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-25(33)28-15-3-2-13-27-14-4-16-29-26(34)11-7-19-5-9-21(30)23(32)17-19/h5-12,17-18,27,30-32H,2-4,13-16H2,1H3,(H,28,33)(H,29,34)/b11-7+,12-8+",YUUGXIVVDZSRNR,MKICQXMISA,N,N1-Caffeoyl-N10-feruloylspermidine,YUUGXIVVDZSRNR-MKICQXMISA-N
HMDB38844,367.090331147,C16H17NO9,OCC1OC(OC2=CC=CC3=C2NC(=O)C=C3C(O)=O)C(O)C(O)C1O,"InChI=1S/C16H17NO9/c18-5-9-12(20)13(21)14(22)16(26-9)25-8-3-1-2-6-7(15(23)24)4-10(19)17-11(6)8/h1-4,9,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)",GRKTWUMXBYWXNZ,UHFFFAOYSA,N,Zeanoside B,GRKTWUMXBYWXNZ-UHFFFAOYSA-N
HMDB38845,358.10525293,C19H18O7,COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(OC)=C2OC,"InChI=1S/C19H18O7/c1-22-13-6-5-10(7-15(13)23-2)14-8-11(20)17-16(26-14)9-12(21)18(24-3)19(17)25-4/h5-9,21H,1-4H3",QZNYGJAJWILZLF,UHFFFAOYSA,N,"7-Hydroxy-3',4',5,6-tetramethoxyflavone",QZNYGJAJWILZLF-UHFFFAOYSA-N
HMDB38846,426.095082174,C22H18O9,OC1=CC=C(C=C1)[C@H]1OC2=C(C[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C2,"InChI=1S/C22H18O9/c23-12-3-1-10(2-4-12)21-19(9-14-15(25)7-13(24)8-18(14)30-21)31-22(29)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,23-28H,9H2/t19-,21-/m1/s1",SDZPYNMXGUHFMZ,TZIWHRDSSA,N,(-)-Epiafzelechin 3-gallate,SDZPYNMXGUHFMZ-TZIWHRDSSA-N
HMDB38847,592.142820226,C27H28O15,CC1OC(OC2C(O)C(O)C(OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)=O)C(O)C(O)C1O,"InChI=1S/C27H28O15/c1-9-18(31)19(32)22(35)26(38-9)42-24-21(34)20(33)23(25(36)37)41-27(24)39-12-6-13(29)17-14(30)8-15(40-16(17)7-12)10-2-4-11(28)5-3-10/h2-9,18-24,26-29,31-35H,1H3,(H,36,37)",ONIIEJMYZDRHKM,UHFFFAOYSA,N,Apigenin 7-[rhamnosyl-(1->2)-galacturonide],ONIIEJMYZDRHKM-UHFFFAOYSA-N
HMDB38848,578.163555668,C27H30O14,CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3",RPMNUQRUHXIGHK,UHFFFAOYSA,N,Rhoifolin,RPMNUQRUHXIGHK-UHFFFAOYSA-N
HMDB38849,225.078978601,C14H11NO2,COC1=CC(C=O)=CC2=C1NC1=CC=CC=C21,"InChI=1S/C14H11NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-8,15H,1H3",FWNZQNAJETXQPP,UHFFFAOYSA,N,Murrayanine,FWNZQNAJETXQPP-UHFFFAOYSA-N
HMDB38850,252.095750876,C8H16N2O7,CN(=O)=NCOC1OC(CO)C(O)C(O)C1O,"InChI=1S/C8H16N2O7/c1-10(15)9-3-16-8-7(14)6(13)5(12)4(2-11)17-8/h4-8,11-14H,2-3H2,1H3/b10-9-",YHLRMABUJXBLCK,KTKRTIGZSA,N,Cycasin,YHLRMABUJXBLCK-KTKRTIGZSA-N
HMDB38851,504.169034976,C18H32O16,OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)30-16(29)15(13(14)28)34-18-12(27)10(25)8(23)5(2-20)32-18/h4-29H,1-3H2",GRDHQWBQPQWUOG,UHFFFAOYSA,N,beta-D-Galactopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->4)]-D-galactose,GRDHQWBQPQWUOG-UHFFFAOYSA-N
HMDB38852,504.169034976,C18H32O16,OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)C(O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2",FYGDTMLNYKFZSV,UHFFFAOYSA,N,beta-D-Galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-galactose,FYGDTMLNYKFZSV-UHFFFAOYSA-N
HMDB38853,504.169034976,C18H32O16,OCC1OC(OC2C(O)C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-7(21)11(25)13(27)18(33-4)34-15-9(23)5(2-20)32-17(14(15)28)30-3-6-8(22)10(24)12(26)16(29)31-6/h4-29H,1-3H2",GEMKLMOVLYWXIB,UHFFFAOYSA,N,beta-D-Galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->6)-D-galactose,GEMKLMOVLYWXIB-UHFFFAOYSA-N
HMDB38854,312.10564686,C11H20O10,OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)COC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C11H20O10/c12-1-4-5(14)6(15)7(16)11(20-4)21-9-3(13)2-19-10(18)8(9)17/h3-18H,1-2H2/t3-,4+,5-,6-,7+,8+,9-,10?,11-/m0/s1",XSXQXHMPBBNYRD,ANYLNHRWSA,N,3-O-beta-D-Galactopyranosyl-L-arabinose,XSXQXHMPBBNYRD-ANYLNHRWSA-N
HMDB38855,282.095082174,C10H18O9,O[C@@H]1CO[C@@H](O[C@H]2[C@@H](O)CO[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C10H18O9/c11-3-1-18-10(6(14)5(3)13)19-8-4(12)2-17-9(16)7(8)15/h3-16H,1-2H2/t3-,4+,5+,6-,7-,8+,9+,10+/m1/s1",FVPQAMUWCNJRQW,ULIYIDAOSA,N,3-O-alpha-L-Arabinopyranosyl-L-arabinose,FVPQAMUWCNJRQW-ULIYIDAOSA-N
HMDB38856,538.089996796,C30H18O10,OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(=C(O)C=C2O)C1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1,"InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H",IQAMTZLKUHMPPE,UHFFFAOYSA,N,"4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone",IQAMTZLKUHMPPE-UHFFFAOYSA-N
HMDB38857,864.190164348,C45H36O18,O[C@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C1=C(O[C@@]3(OC4=C([C@H]1[C@H]3O)C(O)=CC(O)=C4[C@@H]1[C@@H](O)[C@H](OC3=C1C(O)=CC(O)=C3)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1)C=C2O,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)60-41(16-2-5-21(48)25(52)8-16)39(58)37(33)34-28(55)13-29(56)35-38-36-32(62-45(44(38)59,63-43(34)35)17-3-6-22(49)26(53)9-17)14-23(50)19-12-30(57)40(61-42(19)36)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38+,39+,40+,41+,44+,45+/m0/s1",SRWJAXVAWDYXPA,ACNGEOCHSA,N,"Epicatechin-(4beta->8)-epicatechin-(2beta->7,4beta->8)-catechin",SRWJAXVAWDYXPA-ACNGEOCHSA-N
HMDB38858,732.13264947,C36H28O17,OC1CC2=C(OC1C1=CC(=O)C3(O)OC4=C(C13)C(=CC(O)=C4O)C1OC3=C(CC1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C3)C=C(O)C=C2O,"InChI=1S/C36H28O17/c37-12-3-18(39)14-7-23(44)32(50-24(14)5-12)17-10-27(45)36(49)29(17)28-16(8-22(43)31(47)34(28)53-36)33-26(9-15-19(40)4-13(38)6-25(15)51-33)52-35(48)11-1-20(41)30(46)21(42)2-11/h1-6,8,10,23,26,29,32-33,37-44,46-47,49H,7,9H2",BEHKEBMWHIDHDT,UHFFFAOYSA,N,Oolongtheanin,BEHKEBMWHIDHDT-UHFFFAOYSA-N
HMDB38859,414.137340918,C15H26O13,OC1C(O)C(OC2C(O)COC(O)C2O)OC1COC1OCC(O)C(O)C1O,"InChI=1S/C15H26O13/c16-4-1-25-14(9(20)7(4)18)26-3-6-8(19)10(21)15(27-6)28-12-5(17)2-24-13(23)11(12)22/h4-23H,1-3H2",RBNRMSRJWILJMU,UHFFFAOYSA,N,beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose,RBNRMSRJWILJMU-UHFFFAOYSA-N
HMDB38860,414.137340918,C15H26O13,OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O,"InChI=1S/C15H26O13/c16-4-1-24-14(11(21)7(4)17)25-3-6-9(19)12(22)15(28-6)26-2-5-8(18)10(20)13(23)27-5/h4-23H,1-3H2",ILEPOIYJHJQWCK,UHFFFAOYSA,N,beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose,ILEPOIYJHJQWCK-UHFFFAOYSA-N
HMDB38861,414.137340918,C15H26O13,OCC1OC(OC2C(O)COC(O)C2O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C15H26O13/c16-1-6-12(28-14-8(20)7(19)4(17)2-25-14)10(22)15(26-6)27-11-5(18)3-24-13(23)9(11)21/h4-23H,1-3H2",FASIISXZAJLLSP,UHFFFAOYSA,N,beta-D-Xylopyranosyl-(1->3)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose,FASIISXZAJLLSP-UHFFFAOYSA-N
HMDB38862,474.15847029,C17H30O15,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)COC(O)C3O)C2O)C(O)C(O)C1O,"InChI=1S/C17H30O15/c18-1-5-7(21)9(23)10(24)16(29-5)32-14-8(22)6(2-19)30-17(12(14)26)31-13-4(20)3-28-15(27)11(13)25/h4-27H,1-3H2",USDVNAMKKXRXGK,UHFFFAOYSA,N,D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose,USDVNAMKKXRXGK-UHFFFAOYSA-N
HMDB38863,312.10564686,C11H20O10,OC[C@H]1O[C@@H](O[C@H]2C(O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C11H20O10/c12-1-4-6(15)7(16)8(17)11(20-4)21-9-5(14)3(13)2-19-10(9)18/h3-18H,1-2H2/t3-,4-,5+,6+,7+,8-,9-,10?,11+/m1/s1",NTQWZXRSBBGWFC,NCRZSTDJSA,N,2-O-b-D-Galactopyranosyl-D-xylose,NTQWZXRSBBGWFC-NCRZSTDJSA-N
HMDB38864,312.10564686,C11H20O10,OC[C@H]1O[C@@H](O[C@@H]2CO[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C11H20O10/c12-1-3-5(13)7(15)9(17)11(20-3)21-4-2-19-10(18)8(16)6(4)14/h3-18H,1-2H2/t3-,4-,5+,6+,7+,8-,9-,10+,11+/m1/s1",VCTBNHVCBSUQPG,MRRNQDDQSA,N,4-O-beta-D-Galactopyranosyl-D-xylose,VCTBNHVCBSUQPG-MRRNQDDQSA-N
HMDB38865,414.137340918,C15H26O13,OCC1OC(OC2C(O)COC(OC3COC(O)C(O)C3O)C2O)C(O)C1O,"InChI=1S/C15H26O13/c16-1-5-7(18)10(21)15(26-5)28-12-4(17)2-25-14(11(12)22)27-6-3-24-13(23)9(20)8(6)19/h4-23H,1-3H2",FUDXMJHOJWYSEJ,UHFFFAOYSA,N,a-L-Arabinofuranosyl-(1->3)-b-D-xylopyranosyl-(1->4)-D-xylose,FUDXMJHOJWYSEJ-UHFFFAOYSA-N
HMDB38866,494.10604079,C22H22O13,COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1,"InChI=1S/C22H22O13/c1-32-9-4-7(2-3-8(9)24)21-19(30)17(28)13-10(33-21)5-11(14(25)16(13)27)34-22-20(31)18(29)15(26)12(6-23)35-22/h2-5,12,15,18,20,22-27,29-31H,6H2,1H3",WJYMEDBNOOSKGW,UHFFFAOYSA,N,Quercetagetin 3'-methylether 7-glucoside,WJYMEDBNOOSKGW-UHFFFAOYSA-N
HMDB38867,484.121690854,C21H24O13,OCC1OC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C21H24O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15-31H,5H2",XCZZWPJIGBONJX,UHFFFAOYSA,N,Diospyrin,XCZZWPJIGBONJX-UHFFFAOYSA-N
HMDB38868,424.188588628,C25H28O6,CC(C)=CCC1=CC(=CC(O)=C1O)C1CC(=O)C2=C(O)C=C(O)C(CC=C(C)C)=C2O1,"InChI=1S/C25H28O6/c1-13(2)5-7-15-9-16(10-21(29)24(15)30)22-12-20(28)23-19(27)11-18(26)17(25(23)31-22)8-6-14(3)4/h5-6,9-11,22,26-27,29-30H,7-8,12H2,1-4H3",HCBKENVWCDLQOA,UHFFFAOYSA,N,"(S)-3',4',5,7-Tetrahydroxy-5',8-diprenylflavanone",HCBKENVWCDLQOA-UHFFFAOYSA-N
HMDB38869,167.094628665,C9H13NO2,CC1=CC(OC1=O)C1CCCN1,"InChI=1S/C9H13NO2/c1-6-5-8(12-9(6)11)7-3-2-4-10-7/h5,7-8,10H,2-4H2,1H3",LJJVKZSKPLBBSU,UHFFFAOYSA,N,Norpandamarilactonine A,LJJVKZSKPLBBSU-UHFFFAOYSA-N
HMDB38870,666.221858406,C24H42O21,OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C1O,"InChI=1S/C24H42O21/c25-1-8-13(32)18(36)22(5-28,41-8)39-4-11-12(31)16(35)17(44-23(6-29)19(37)14(33)9(2-26)42-23)21(40-11)45-24(7-30)20(38)15(34)10(3-27)43-24/h8-21,25-38H,1-7H2",CPXARACTRWZBPQ,UHFFFAOYSA,N,Neobifurcose,CPXARACTRWZBPQ-UHFFFAOYSA-N
HMDB38871,666.221858406,C24H42O21,OCC1OC(OCC2OC(CO)(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-12(30)16(34)19(37)23(43-8)45-24(5-27)20(38)13(31)9(44-24)4-40-22-18(36)15(33)11(29)7(2-26)42-22/h6-23,25-38H,1-5H2",VGKIRQHUZIZMIP,UHFFFAOYSA,N,Sesamose,VGKIRQHUZIZMIP-UHFFFAOYSA-N
HMDB38872,392.198759384,C25H28O4,CC(C)=CCC1=C(O)C=CC2=C1OC1C2COC2=C1C=CC(O)=C2CC=C(C)C,"InChI=1S/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3",HOGHBEDTLGAJAS,UHFFFAOYSA,N,Erybraedin A,HOGHBEDTLGAJAS-UHFFFAOYSA-N
HMDB38873,368.125988372,C21H20O6,COC1=C2C=C(C(=O)OC2=CC2=C1CCC(C)(C)O2)C1=C(O)C=C(O)C=C1,"InChI=1S/C21H20O6/c1-21(2)7-6-13-18(27-21)10-17-15(19(13)25-3)9-14(20(24)26-17)12-5-4-11(22)8-16(12)23/h4-5,8-10,22-23H,6-7H2,1-3H3",PHHAXWBLJNBVNS,UHFFFAOYSA,N,Isoglycycoumarin,PHHAXWBLJNBVNS-UHFFFAOYSA-N
HMDB38874,384.120902994,C21H20O7,COC1=C2C=C(C(=O)OC2=CC2=C1CCC(C)(CO)O2)C1=C(O)C=C(O)C=C1,"InChI=1S/C21H20O7/c1-21(10-22)6-5-13-18(28-21)9-17-15(19(13)26-2)8-14(20(25)27-17)12-4-3-11(23)7-16(12)24/h3-4,7-9,22-24H,5-6,10H2,1-2H3",MOBCUWLJOZHPQL,UHFFFAOYSA,N,Licopyranocoumarin,MOBCUWLJOZHPQL-UHFFFAOYSA-N
HMDB38875,406.178023942,C25H26O5,CC(C)=CCC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C=C(O)C(CC=C(C)C)=C2O,"InChI=1S/C25H26O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-13,26-27,29H,7,9H2,1-4H3",WGNIVAMNAWBYRO,UHFFFAOYSA,N,Gancaonin Q,WGNIVAMNAWBYRO-UHFFFAOYSA-N
HMDB38876,406.178023942,C25H26O5,CC(C)=CCC\C(C)=C\CC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1O,"InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13-14,26-27,29H,4,6,12H2,1-3H3/b16-7+",KDUZVQDAWGTXTF,FRKPEAEDSA,N,Albanin D,KDUZVQDAWGTXTF-FRKPEAEDSA-N
HMDB38877,450.167853186,C26H26O7,COC1=C(CC=C(C)C)C2=C(C(O)=C1)C(=O)C1=C(O2)C2=C(OC1C=C(C)C)C=C(O)C(O)=C2,"InChI=1S/C26H26O7/c1-12(2)6-7-14-19(31-5)11-18(29)22-24(30)23-21(8-13(3)4)32-20-10-17(28)16(27)9-15(20)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3",FIYIGIGIGDUJQB,UHFFFAOYSA,N,Dihydrocycloartomunin,FIYIGIGIGDUJQB-UHFFFAOYSA-N
HMDB38878,448.152203122,C26H24O7,COC1=C(O)C=C2C(OC(C=C(C)C)C3=C2OC2=C(C(O)=CC4=C2C=CC(C)(C)O4)C3=O)=C1,"InChI=1S/C26H24O7/c1-12(2)8-20-22-23(29)21-16(28)10-18-13(6-7-26(3,4)33-18)24(21)32-25(22)14-9-15(27)19(30-5)11-17(14)31-20/h6-11,20,27-28H,1-5H3",WQSBCGFYYIWXHK,UHFFFAOYSA,N,Cycloartomunin,WQSBCGFYYIWXHK-UHFFFAOYSA-N
HMDB38879,422.172938564,C25H26O6,CC(C)=CCC\C(C)=C\CC1=C(O)C2=C(OC(=CC2=O)C2=C(O)C=C(O)C=C2)C=C1O,"InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-9-18-20(28)12-23-24(25(18)30)21(29)13-22(31-23)17-10-8-16(26)11-19(17)27/h5,7-8,10-13,26-28,30H,4,6,9H2,1-3H3/b15-7+",CNACUOPDTBOMCZ,VIZOYTHASA,N,Albanin E,CNACUOPDTBOMCZ-VIZOYTHASA-N
HMDB38880,282.095082174,C10H18O9,OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C10H18O9/c11-1-3-5(12)8(15)10(19-3)17-2-4-6(13)7(14)9(16)18-4/h3-16H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+/m0/s1",HANDMAIZTZRPTQ,GJAWKPGMSA,N,5-O-a-L-Arabinofuranosyl-L-arabinose,HANDMAIZTZRPTQ-GJAWKPGMSA-N
HMDB38881,282.095082174,C10H18O9,O[C@@H]1CO[C@@H](O[C@H]2C(O)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C10H18O9/c11-3-2-18-10(7(15)5(3)13)19-8-6(14)4(12)1-17-9(8)16/h3-16H,1-2H2/t3-,4+,5+,6+,7-,8-,9?,10+/m1/s1",HBIRURHHLFDSPS,BIDIDBDVSA,N,2-O-b-D-Xylopyranosyl-L-arabinose,HBIRURHHLFDSPS-BIDIDBDVSA-N
HMDB38882,282.095082174,C10H18O9,OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C10H18O9/c11-3-1-17-10(8(15)5(3)12)18-2-4-6(13)7(14)9(16)19-4/h3-16H,1-2H2/t3-,4+,5+,6+,7-,8-,9?,10+/m1/s1",NXRFRJQIYCYJKT,BIDIDBDVSA,N,5-O-beta-D-Xylopyranosyl-L-arabinose,NXRFRJQIYCYJKT-BIDIDBDVSA-N
HMDB38883,540.220676616,C26H36O12,[H][C@]1(C[C@H]2OC(=O)C3=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)\C(=C\C)\C\3=C\C(=O)OC[C@@H]1[C@H]2C)[C@@H](C)CO,"InChI=1S/C26H36O12/c1-4-13-15-6-20(29)34-9-16-12(3)18(5-14(16)11(2)7-27)36-24(33)17(15)10-35-25(13)38-26-23(32)22(31)21(30)19(8-28)37-26/h4,6,10-12,14,16,18-19,21-23,25-28,30-32H,5,7-9H2,1-3H3/b13-4+,15-6-/t11-,12+,14-,16+,18+,19+,21+,22-,23+,25?,26-/m0/s1",SIVWXOPASOMQQC,PANBKRDHSA,N,Sambacin,SIVWXOPASOMQQC-PANBKRDHSA-N
HMDB38884,754.317370966,C36H46N6O12,CC\C(C)=C(\NC(=O)C1C=CCN1C(=O)C1NC(=O)C(NC(=O)C(NC)C(O)C2=CC(OC1(C)CC)=C(O)C=C2)C(C)=C)C(=O)N\C(=C\C(O)=O)C(O)=O,"InChI=1S/C36H46N6O12/c1-8-18(5)26(32(49)38-20(35(52)53)16-24(44)45)40-30(47)21-11-10-14-42(21)34(51)29-36(6,9-2)54-23-15-19(12-13-22(23)43)28(46)27(37-7)33(50)39-25(17(3)4)31(48)41-29/h10-13,15-16,21,25,27-29,37,43,46H,3,8-9,14H2,1-2,4-7H3,(H,38,49)(H,39,50)(H,40,47)(H,41,48)(H,44,45)(H,52,53)/b20-16+,26-18+",FHJKRASPFQAQCV,VGBCPRNWSA,N,Phomopsin B,FHJKRASPFQAQCV-VGBCPRNWSA-N
HMDB38885,316.203844762,C20H28O3,CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1C(=O)C2O,"InChI=1S/C20H28O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,16,18,21-22H,6-8H2,1-5H3",BXNFTNLOFARFOZ,UHFFFAOYSA,N,Trilobinone,BXNFTNLOFARFOZ-UHFFFAOYSA-N
HMDB38886,958.513730314,C48H78O19,[H][C@@]12C(=O)O[C@H](CC=C(C)C)[C@]1(C)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1(C)[C@]2([H])CCC2[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)C3CC[C@@]12C,"InChI=1S/C48H78O19/c1-20(2)10-13-28-48(9)29(39(59)64-28)22-11-12-26-45(6)16-15-27(65-41-37(57)35(55)32(52)24(63-41)19-60-40-36(56)33(53)30(50)21(3)61-40)44(4,5)25(45)14-17-46(26,7)47(22,8)43(67-48)66-42-38(58)34(54)31(51)23(18-49)62-42/h10,21-38,40-43,49-58H,11-19H2,1-9H3/t21-,22+,23+,24+,25?,26?,27-,28+,29+,30-,31+,32+,33+,34-,35-,36+,37+,38+,40+,41-,42-,43-,45-,46+,47-,48-/m0/s1",JDYBTMHCHWARHS,UZTDFSENSA,N,Mabioside A,JDYBTMHCHWARHS-UZTDFSENSA-N
HMDB38887,432.10564686,C21H20O10,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(OC3OC(CO)C(O)C(O)C3O)C=C1O)C2=O,"InChI=1S/C21H20O10/c1-7-2-9-14(11(23)3-7)18(27)15-10(16(9)25)4-8(5-12(15)24)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3",UBVJENDWBOVRBS,UHFFFAOYSA,N,Glucoemodin,UBVJENDWBOVRBS-UHFFFAOYSA-N
HMDB38888,468.090390726,C20H20O13,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C=O)=CC(O)=C2O)C(O)C1O,"InChI=1S/C20H20O13/c21-5-7-1-9(22)15(26)12(2-7)32-20-18(29)17(28)16(27)13(33-20)6-31-19(30)8-3-10(23)14(25)11(24)4-8/h1-5,13,16-18,20,22-29H,6H2",SVCSAQHJACEOFN,UHFFFAOYSA,N,Castamollissin,SVCSAQHJACEOFN-UHFFFAOYSA-N
HMDB38889,150.017306322,C5H10OS2,CSSC(C)(C)C=O,"InChI=1S/C5H10OS2/c1-5(2,4-6)8-7-3/h4H,1-3H3",VLBWEJJOETYCSE,UHFFFAOYSA,N,2-Methyl-2-(methyldithio)propanal,VLBWEJJOETYCSE-UHFFFAOYSA-N
HMDB38890,148.038041764,C6H12S2,CSS\C=C\C(C)C,"InChI=1S/C6H12S2/c1-6(2)4-5-8-7-3/h4-6H,1-3H3/b5-4+",NNYHMALQRVQTNK,SNAWJCMRSA,N,Methyl 3-methyl-1-butenyl disulfide,NNYHMALQRVQTNK-SNAWJCMRSA-N
HMDB38891,139.978812326,C3H8S3,CCSSSC,"InChI=1S/C3H8S3/c1-3-5-6-4-2/h3H2,1-2H3",XEKUTWIJPKGAQT,UHFFFAOYSA,N,Ethyl methyl trisulfide,XEKUTWIJPKGAQT-UHFFFAOYSA-N
HMDB38892,102.05032101,C5H10S,CC\C=C\SC,"InChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4+",QOKMHYUWJKXWOV,SNAWJCMRSA,N,1-(Methylthio)-1-butene,QOKMHYUWJKXWOV-SNAWJCMRSA-N
HMDB38893,162.068079564,C10H10O2,CC1C(=O)OC2=C1C=CC(C)=C2,"InChI=1S/C10H10O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h3-5,7H,1-2H3",JSJKAEKKWQOCEZ,UHFFFAOYSA,N,"3,6-Dimethyl-2(3H)-benzofuranone",JSJKAEKKWQOCEZ-UHFFFAOYSA-N
HMDB38894,222.125594442,C13H18O3,COC1=CC=C(C=C1)C(=O)OCCC(C)C,"InChI=1S/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3",FVMBSMBXEVMMGH,UHFFFAOYSA,N,Isoamyl p-anisate,FVMBSMBXEVMMGH-UHFFFAOYSA-N
HMDB38895,198.161979948,C12H22O2,CCCCCCC1CCCCC(=O)O1,"InChI=1S/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3",FRTMRFCNTDDSOB,UHFFFAOYSA,N,7-Hexyl-2-oxepanone,FRTMRFCNTDDSOB-UHFFFAOYSA-N
HMDB38896,180.027871008,C6H12O2S2,CCOC(=O)C(C)SSC,"InChI=1S/C6H12O2S2/c1-4-8-6(7)5(2)10-9-3/h5H,4H2,1-3H3",DZOQRCWJNNRVPT,UHFFFAOYSA,N,Ethyl 2-(methyldithio)propionate,DZOQRCWJNNRVPT-UHFFFAOYSA-N
HMDB38897,194.167065326,C13H22O,CCCCC\C=C\CC1CCCC1=O,"InChI=1S/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h6-7,12H,2-5,8-11H2,1H3/b7-6+",QHEUOYOHVATZEB,VOTSOKGWSA,N,(E)-2-(2-Octenyl)cyclopentanone,QHEUOYOHVATZEB-VOTSOKGWSA-N
HMDB38898,432.10564686,C21H20O10,CC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O,"InChI=1S/C21H20O10/c1-7-17(26)19(28)20(29)21(30-7)16-12(25)6-14-15(18(16)27)11(24)5-13(31-14)8-2-3-9(22)10(23)4-8/h2-7,17,19-23,25-29H,1H3",ROQHTXBYBLROKW,UHFFFAOYSA,N,6-C-Fucosylluteolin,ROQHTXBYBLROKW-UHFFFAOYSA-N
HMDB38899,354.110338308,C20H18O6,CC(C)=CCC1=C2OC=C(C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3",RWDSADRZXTYPMY,UHFFFAOYSA,N,"2',4',5,7-Tetrahydroxy-8-prenylisoflavone",RWDSADRZXTYPMY-UHFFFAOYSA-N
HMDB38900,370.10525293,C20H18O7,C\C(CO)=C/CC1=C2OC=C(C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H18O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h2-3,5-7,9,21-25H,4,8H2,1H3/b10-2+",UFCGXNZEVGKUQA,WTDSWWLTSA,N,"2,3-Dehydrokievitol",UFCGXNZEVGKUQA-WTDSWWLTSA-N
HMDB38901,354.110338308,C20H18O6,CC(C)=CCC1=C2OC=C(C(=O)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1,"InChI=1S/C20H18O6/c1-10(2)3-5-12-15(22)8-17(24)18-19(25)13(9-26-20(12)18)11-4-6-14(21)16(23)7-11/h3-4,6-9,21-24H,5H2,1-2H3",WSOHPJFMARQRFD,UHFFFAOYSA,N,Gancaonin L,WSOHPJFMARQRFD-UHFFFAOYSA-N
HMDB38902,338.115423686,C20H18O5,CC(C)=CCC1=C2OC=C(C(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",YGCCASGFIOIXIN,UHFFFAOYSA,N,Lupiwighteone,YGCCASGFIOIXIN-UHFFFAOYSA-N
HMDB38903,352.13107375,C21H20O5,COC1=CC=C(C=C1)C1=COC2=C(CC=C(C)C)C(O)=CC(O)=C2C1=O,"InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18(23)19-20(24)16(11-26-21(15)19)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3",DDLPIQXHEKZHQX,UHFFFAOYSA,N,Gancaonin M,DDLPIQXHEKZHQX-UHFFFAOYSA-N
HMDB38904,352.094688244,C20H16O6,CC(=C)C1CC2=C(O1)C=C(O)C1=C2OC=C(C1=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C20H16O6/c1-9(2)16-6-12-17(26-16)7-15(23)18-19(24)13(8-25-20(12)18)11-4-3-10(21)5-14(11)22/h3-5,7-8,16,21-23H,1,6H2,2H3",CQTPXERAFJKQTG,UHFFFAOYSA,N,"3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one",CQTPXERAFJKQTG-UHFFFAOYSA-N
HMDB38905,422.172938564,C25H26O6,CC(C)=CCC1=CC(=CC(O)=C1O)C1=COC2=C(C(O)=C(CC=C(C)C)C(O)=C2)C1=O,"InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-20(27)23(15)28)18-12-31-21-11-19(26)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3",QNLGNISMYMFVHP,UHFFFAOYSA,N,Isoangustone A,QNLGNISMYMFVHP-UHFFFAOYSA-N
HMDB38906,184.146329884,C11H20O2,CC\C=C/CCCCOC(=O)CC,"InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5-",LWYSNOFRZXMWJC,WAYWQWQTSA,N,5-Octenyl propanoate,LWYSNOFRZXMWJC-WAYWQWQTSA-N
HMDB38907,242.224580204,C15H30O2,CCCCCCCCCC(=O)OCCC(C)C,"InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3",XDOGFYDZGUDBQY,UHFFFAOYSA,N,3-Methylbutyl decanoate,XDOGFYDZGUDBQY-UHFFFAOYSA-N
HMDB38908,328.240230268,C22H32O2,CC1=C(O)C=C(CCCCCCC\C=C/C\C=C\CC=C)C=C1O,"InChI=1S/C22H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h3,5-6,8-9,17-18,23-24H,1,4,7,10-16H2,2H3/b6-5+,9-8-",UKMBKJYRCZVQFL,NKEWZBFXSA,N,"(Z,Z)-2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol",UKMBKJYRCZVQFL-NKEWZBFXSA-N
HMDB38909,330.255880332,C22H34O2,CCC\C=C\C\C=C/CCCCCCCC1=CC(O)=C(C)C(O)=C1,"InChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h5-6,8-9,17-18,23-24H,3-4,7,10-16H2,1-2H3/b6-5+,9-8-",IZGYQWUVUWZOPQ,NKEWZBFXSA,N,"2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol",IZGYQWUVUWZOPQ-NKEWZBFXSA-N
HMDB38910,332.271530396,C22H36O2,CCCCCC\C=C/CCCCCCCC1=CC(O)=C(C)C(O)=C1,"InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h8-9,17-18,23-24H,3-7,10-16H2,1-2H3/b9-8-",LDBPJTXLCRXBIJ,HJWRWDBZSA,N,"2-Methyl-5-(8-pentadecenyl)-1,3-benzenediol",LDBPJTXLCRXBIJ-HJWRWDBZSA-N
HMDB38911,232.073558872,C13H12O4,CC#CC#CC#CC#CC(O)C(O)C(O)CO,"InChI=1S/C13H12O4/c1-2-3-4-5-6-7-8-9-11(15)13(17)12(16)10-14/h11-17H,10H2,1H3",CBKQFMQQQCEGGI,UHFFFAOYSA,N,"(2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol",CBKQFMQQQCEGGI-UHFFFAOYSA-N
HMDB38912,332.074346732,C13H16O10,OCC1OC(O)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C13H16O10/c14-3-7-11(9(18)10(19)13(21)22-7)23-12(20)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-19,21H,3H2",IIXWHYFHBRXWOP,UHFFFAOYSA,N,4-Glucosyl gallate,IIXWHYFHBRXWOP-UHFFFAOYSA-N
HMDB38913,150.10446507,C10H14O,CCCC#CC#CCCCO,"InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-3,8-10H2,1H3",HVQWHMMQKIPWDD,UHFFFAOYSA,N,"4,6-Decadiyn-1-ol",HVQWHMMQKIPWDD-UHFFFAOYSA-N
HMDB38914,234.161979948,C15H22O2,CCCC#CC#CCCCOC(=O)CC(C)C,"InChI=1S/C15H22O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h14H,4-5,10-13H2,1-3H3",NVMLEKVHEUTCIU,UHFFFAOYSA,N,"4,6-Decadiyn-1-ol isovalerate",NVMLEKVHEUTCIU-UHFFFAOYSA-N
HMDB38915,180.057514878,C13H8O,C=CC#CC#CC#CC#CCCC=O,"InChI=1S/C13H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,13H,1,11-12H2",OFXBKGMSUXMAMD,UHFFFAOYSA,N,"12-Tridecene-4,6,8,10-tetraynal",OFXBKGMSUXMAMD-UHFFFAOYSA-N
HMDB38916,382.162767808,C19H26O8,CC(=O)OCC12C(O)C(O)C(C)=CC1OC1C(CC2(C)C11CO1)OC(C)=O,"InChI=1S/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3",JSKXQQKSUOVSKS,UHFFFAOYSA,N,"7alpha,8alpha-Dihydroxycalonectrin",JSKXQQKSUOVSKS-UHFFFAOYSA-N
HMDB38917,384.193674006,C23H28O5,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C1C(C=O)=CC1CC(C)(C)CC21,"InChI=1S/C23H28O5/c1-12-5-15(25)7-17(26)19(12)21(27)28-18-10-23(4)16-9-22(2,3)8-13(16)6-14(11-24)20(18)23/h5-7,11,13,16,18,20,25-26H,8-10H2,1-4H3",NFCOJBIECSQMAM,UHFFFAOYSA,N,Armillarivin,NFCOJBIECSQMAM-UHFFFAOYSA-N
HMDB38918,400.188588628,C23H28O6,CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C1C(C=O)=CC1(O)CC(C)(C)CC21,"InChI=1S/C23H28O6/c1-12-5-14(25)6-15(26)18(12)20(27)29-16-8-22(4)17-9-21(2,3)11-23(17,28)7-13(10-24)19(16)22/h5-7,10,16-17,19,25-26,28H,8-9,11H2,1-4H3",CYANGADGENNSLV,UHFFFAOYSA,N,Armillaritin,CYANGADGENNSLV-UHFFFAOYSA-N
HMDB38919,750.631481868,C53H82O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CCC1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C53H82O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-37-53(12)38-36-50-39-51(54)48(10)49(11)52(50)55-53/h21,23,25,27,29,31,33,35,39,54H,13-20,22,24,26,28,30,32,34,36-38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33-,47-35-",PTMZTTPJFDLIOR,HUZRKMAISA,N,Plastochromanol 8,PTMZTTPJFDLIOR-HUZRKMAISA-N
HMDB38920,176.087100446,C8H16O2S,CCCC(S)CCOC(C)=O,"InChI=1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3",JUCARGIKESIVLB,UHFFFAOYSA,N,(S)-3-Mercaptohexyl acetate,JUCARGIKESIVLB-UHFFFAOYSA-N
HMDB38921,398.136553058,C22H22O7,COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC(OC)=C1O,"InChI=1S/C22H22O7/c1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h4-12,25-26H,13H2,1-3H3/b7-4+,8-5+",MQJGAHXKAZGEGI,NSLJXJERSA,N,5'-Methoxycurcumin,MQJGAHXKAZGEGI-NSLJXJERSA-N
HMDB38922,582.231241302,C28H38O13,COC1=CC2=C(C(C(COC3OC(CO)C(O)C(O)C3O)C(CO)C2)C2=CC(OC)=C(O)C(OC)=C2)C(OC)=C1O,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3",PQQRNPDHSJDAGV,UHFFFAOYSA,N,(7'R)-(+)-Lyoniresinol 9'-glucoside,PQQRNPDHSJDAGV-UHFFFAOYSA-N
HMDB38923,518.23632668,C24H38O12,CC(=O)C=C=C1C(C)(C)CC(CC1(C)O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C24H38O12/c1-12(26)5-6-15-22(2,3)7-13(8-23(15,4)31)35-20-18(29)17(28)16(27)14(36-20)9-33-21-19(30)24(32,10-25)11-34-21/h5,13-14,16-21,25,27-32H,7-11H2,1-4H3",WGFLJEFKPRMWSU,UHFFFAOYSA,N,Cinnamoside,WGFLJEFKPRMWSU-UHFFFAOYSA-N
HMDB38924,198.161979948,C12H22O2,CCCCCC(=O)OC\C=C\CCC,"InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+",UQPLEMTXCSYMEK,VQHVLOKHSA,N,2-Hexenyl hexanoate,UQPLEMTXCSYMEK-VQHVLOKHSA-N
HMDB38925,168.07864425,C9H12O3,COC1=C(O)C=CC(CCO)=C1,"InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3",XHUBSJRBOQIZNI,UHFFFAOYSA,N,(4-Hydroxy-3-methoxyphenyl)ethanol,XHUBSJRBOQIZNI-UHFFFAOYSA-N
HMDB38926,250.084123558,C13H14O5,OC1OCC2C1COC2C1=CC2=C(OCO2)C=C1,"InChI=1S/C13H14O5/c14-13-9-5-15-12(8(9)4-16-13)7-1-2-10-11(3-7)18-6-17-10/h1-3,8-9,12-14H,4-6H2",DRUQKRWRXOUEGS,UHFFFAOYSA,N,Samin,DRUQKRWRXOUEGS-UHFFFAOYSA-N
HMDB38927,522.21011193,C26H34O11,COC1=C(O)C=C2C(C(COC3OC(CO)C(O)C(O)C3O)C(CO)CC2=C1)C1=CC(OC)=C(O)C=C1,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3",AHYOMNWKYGMYMB,UHFFFAOYSA,N,Isolariciresinol 9'-O-beta-D-glucoside,AHYOMNWKYGMYMB-UHFFFAOYSA-N
HMDB38928,418.162767808,C22H26O8,COC1=CC(=CC(OC)=C1O)C1OCC2C1COC2C1=CC(OC)=C(O)C(OC)=C1,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",KOWMJRJXZMEZLD,UHFFFAOYSA,N,Lirioresinol A,KOWMJRJXZMEZLD-UHFFFAOYSA-N
HMDB38929,702.215985168,C34H38O16,COC1C(COC(OC2=C3COC(=O)C3=C(C3=CC4=C(OCO4)C=C3)C3=CC(OC)=C(OC)C=C23)C1OC)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C34H38O16/c1-40-19-8-15-16(9-20(19)41-2)29(17-11-44-32(39)25(17)24(15)14-5-6-18-21(7-14)47-13-46-18)50-34-31(43-4)30(42-3)23(12-45-34)49-33-28(38)27(37)26(36)22(10-35)48-33/h5-9,22-23,26-28,30-31,33-38H,10-13H2,1-4H3",DDUSFSKGAHCYFG,UHFFFAOYSA,N,Ramontoside,DDUSFSKGAHCYFG-UHFFFAOYSA-N
HMDB38930,342.146723814,C20H22O5,CC(CC1=CC2=C(OCO2)C=C1)C(C)C(O)C1=CC=C2OCOC2=C1,"InChI=1S/C20H22O5/c1-12(7-14-3-5-16-18(8-14)24-10-22-16)13(2)20(21)15-4-6-17-19(9-15)25-11-23-17/h3-6,8-9,12-13,20-21H,7,10-11H2,1-2H3",SDXLCXZRXWWAGW,UHFFFAOYSA,N,7-Hydroxyaustrobailignan 5,SDXLCXZRXWWAGW-UHFFFAOYSA-N
HMDB38931,430.162767808,C23H26O8,COC1=C2OCOC2=CC(=C1)C1OCC2C1COC2C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3",DHWUVPPRBIJJKS,UHFFFAOYSA,N,Sesartemin,DHWUVPPRBIJJKS-UHFFFAOYSA-N
HMDB38932,370.10525293,C20H18O7,OC1=CC2=C(OCO2)C=C1C1OCC2C1COC2C1=CC2=C(OCO2)C=C1,"InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2",KQRXQIPRDKVZPW,UHFFFAOYSA,N,Justisolin,KQRXQIPRDKVZPW-UHFFFAOYSA-N
HMDB38933,922.310673412,C43H54O22,COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C\C)C1CC(=O)OCC1OC(OC23COC(C2COC3C2=CC=C(O)C(OC)=C2)C2=CC=C(O)C(OC)=C2)C(O)C(O)C1O,"InChI=1S/C43H54O22/c1-5-20-21(22(39(54)57-4)14-60-40(20)64-41-35(52)33(50)31(48)28(13-44)62-41)12-30(47)58-16-29-32(49)34(51)36(53)42(63-29)65-43-17-61-37(18-6-8-24(45)26(10-18)55-2)23(43)15-59-38(43)19-7-9-25(46)27(11-19)56-3/h5-11,14,21,23,28-29,31-38,40-42,44-46,48-53H,12-13,15-17H2,1-4H3/b20-5+",URBPIXMUXQEKHZ,DENHBWNVSA,N,Sambacolignoside,URBPIXMUXQEKHZ-DENHBWNVSA-N
HMDB38934,554.23632668,C27H38O12,COC1=CC(CC(CO)C(COC2OCC(O)C(O)C2O)CC2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3",UTPBCUCEDIRSFI,UHFFFAOYSA,N,Ssioriside,UTPBCUCEDIRSFI-UHFFFAOYSA-N
HMDB38935,268.13107375,C14H20O5,CC1CC2(OC1O)OC1C(=O)C=C(C)C2(O)C1(C)C,"InChI=1S/C14H20O5/c1-7-6-13(19-11(7)16)14(17)8(2)5-9(15)10(18-13)12(14,3)4/h5,7,10-11,16-17H,6H2,1-4H3",NKEIHMMKFOXWAO,UHFFFAOYSA,N,Kamahine C,NKEIHMMKFOXWAO-UHFFFAOYSA-N
HMDB38936,620.168247116,C36H28O10,CC1=CC(C2=CC(O)=C3C(=O)C4=C(OC3=C2O)C(O)=CC=C4)C(C)(CC1)\C=C\C1=CC(O)=C2C(=O)C3=C(OC2=C1O)C(O)=CC=C3,"InChI=1S/C36H28O10/c1-16-9-11-36(2,12-10-17-14-24(39)26-29(42)18-5-3-7-22(37)32(18)45-34(26)28(17)41)21(13-16)20-15-25(40)27-30(43)19-6-4-8-23(38)33(19)46-35(27)31(20)44/h3-8,10,12-15,21,37-41,44H,9,11H2,1-2H3/b12-10+",XYRCPMXSIHHGSO,ZRDIBKRKSA,N,Garcilivin A,XYRCPMXSIHHGSO-ZRDIBKRKSA-N
HMDB38937,620.168247116,C36H28O10,CC(C)=CC1CC(C)(OC2=C1C=CC1=C2OC2=C(O)C=CC(O)=C2C1=O)\C=C\C1=CC(O)=C2C(=O)C3=C(OC2=C1O)C(O)=CC=C3,"InChI=1S/C36H28O10/c1-16(2)13-18-15-36(3,46-33-19(18)7-8-21-30(43)26-22(37)9-10-24(39)34(26)45-32(21)33)12-11-17-14-25(40)27-29(42)20-5-4-6-23(38)31(20)44-35(27)28(17)41/h4-14,18,37-41H,15H2,1-3H3/b12-11+",QSAFXQIKPWJREW,VAWYXSNFSA,N,Garcilivin B,QSAFXQIKPWJREW-VAWYXSNFSA-N
HMDB38938,276.172544634,C17H24O3,CCCCCCCC1OC1C(O)C#CC#CC(O)C=C,"InChI=1S/C17H24O3/c1-3-5-6-7-8-13-16-17(20-16)15(19)12-10-9-11-14(18)4-2/h4,14-19H,2-3,5-8,13H2,1H3",UJQVRPFUQYYCTH,UHFFFAOYSA,N,Panaquinquecol 2,UJQVRPFUQYYCTH-UHFFFAOYSA-N
HMDB38939,274.15689457,C17H22O3,CCCCCCCC1OC1CC#CC#CC(=O)C1CO1,"InChI=1S/C17H22O3/c1-2-3-4-5-8-11-15-16(20-15)12-9-6-7-10-14(18)17-13-19-17/h15-17H,2-5,8,11-13H2,1H3",ZDTPCVGIYZHVNO,UHFFFAOYSA,N,Panaquinquecol 4,ZDTPCVGIYZHVNO-UHFFFAOYSA-N
HMDB38940,342.204238692,C18H30O6,CCC(=O)C(=O)CCCC(O)CC(=O)CCCCCCCC(O)=O,"InChI=1S/C18H30O6/c1-2-16(21)17(22)11-8-10-15(20)13-14(19)9-6-4-3-5-7-12-18(23)24/h15,20H,2-13H2,1H3,(H,23,24)",DRPDZKNSZVIOQR,UHFFFAOYSA,N,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid",DRPDZKNSZVIOQR-UHFFFAOYSA-N
HMDB38941,223.048072403,C10H9NO5,OC(=O)CC1(O)C(=O)NC2=C1C=C(O)C=C2,"InChI=1S/C10H9NO5/c12-5-1-2-7-6(3-5)10(16,4-8(13)14)9(15)11-7/h1-3,12,16H,4H2,(H,11,15)(H,13,14)",BSACCBRVBZORKX,UHFFFAOYSA,N,"(R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid",BSACCBRVBZORKX-UHFFFAOYSA-N
HMDB38942,237.063722467,C11H11NO5,COC(=O)CC1(O)C(=O)NC2=C1C=C(O)C=C2,"InChI=1S/C11H11NO5/c1-17-9(14)5-11(16)7-4-6(13)2-3-8(7)12-10(11)15/h2-4,13,16H,5H2,1H3,(H,12,15)",YPPHXVJCTQPTBV,UHFFFAOYSA,N,"Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid",YPPHXVJCTQPTBV-UHFFFAOYSA-N
HMDB38943,283.084457909,C16H13NO4,OC(=O)C1=C(NC(=O)\C=C/C2=CC=C(O)C=C2)C=CC=C1,"InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7-",INBHLTYBRKASIZ,YFHOEESVSA,N,(E)-Avenanthramide D,INBHLTYBRKASIZ-YFHOEESVSA-N
HMDB38944,313.095022595,C17H15NO5,COC1=C(O)C=CC(\C=C/C(=O)NC2=C(C=CC=C2)C(O)=O)=C1,"InChI=1S/C17H15NO5/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22/h2-10,19H,1H3,(H,18,20)(H,21,22)/b9-7-",FSKJPXSYWQUVGO,CLFYSBASSA,N,Avenanthramide E,FSKJPXSYWQUVGO-CLFYSBASSA-N
HMDB38945,218.134050638,C11H22O2S,CCCCC(=O)OCCC(S)CCC,"InChI=1S/C11H22O2S/c1-3-5-7-11(12)13-9-8-10(14)6-4-2/h10,14H,3-9H2,1-2H3",VMHWVDZUYLYJAJ,UHFFFAOYSA,N,(S)-3-Mercaptohexyl pentanoate,VMHWVDZUYLYJAJ-UHFFFAOYSA-N
HMDB38946,218.134050638,C11H22O2S,CCCC(CCOC(=O)CCC)SC,"InChI=1S/C11H22O2S/c1-4-6-10(14-3)8-9-13-11(12)7-5-2/h10H,4-9H2,1-3H3",CPZRKTMCYSRJPH,UHFFFAOYSA,N,(S)-3-Methylthiohexyl butyrate,CPZRKTMCYSRJPH-UHFFFAOYSA-N
HMDB38947,246.165350766,C13H26O2S,CCCCCC(=O)OCCC(CCC)SC,"InChI=1S/C13H26O2S/c1-4-6-7-9-13(14)15-11-10-12(16-3)8-5-2/h12H,4-11H2,1-3H3",YCHLQQVZMIQEAC,UHFFFAOYSA,N,(S)-3-Methylthiohexyl hexanoate,YCHLQQVZMIQEAC-UHFFFAOYSA-N
HMDB38948,204.118400574,C10H20O2S,CCCC(S)CCOC(=O)CCC,"InChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3",TZNJKOLXWHXDAF,UHFFFAOYSA,N,3-Mercaptohexyl butyrate,TZNJKOLXWHXDAF-UHFFFAOYSA-N
HMDB38949,143.094628665,C7H13NO2,OC1CC2CC(O)CC1N2,"InChI=1S/C7H13NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4-10H,1-3H2",MVUIPZFMWQBRCM,UHFFFAOYSA,N,"3beta,6beta-Dihydroxynortropane",MVUIPZFMWQBRCM-UHFFFAOYSA-N
HMDB38950,384.120902994,C21H20O7,COC1=C2OCOC2=CC(CC2C(CC3=CC4=C(OCO4)C=C3)COC2=O)=C1,"InChI=1S/C21H20O7/c1-23-18-7-13(8-19-20(18)28-11-27-19)5-15-14(9-24-21(15)22)4-12-2-3-16-17(6-12)26-10-25-16/h2-3,6-8,14-15H,4-5,9-11H2,1H3",GDOAQHHMFNQXLJ,UHFFFAOYSA,N,5-Methoxyhinokinin,GDOAQHHMFNQXLJ-UHFFFAOYSA-N
HMDB38951,552.220676616,C27H36O12,COC1=CC(CC2COC(C2COC2OCC(O)C(O)C2O)C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O,"InChI=1S/C27H36O12/c1-33-18-6-13(7-19(34-2)23(18)30)5-15-10-37-26(14-8-20(35-3)24(31)21(9-14)36-4)16(15)11-38-27-25(32)22(29)17(28)12-39-27/h6-9,15-17,22,25-32H,5,10-12H2,1-4H3",GLRJVMYTCIKGGK,UHFFFAOYSA,N,Prupaside,GLRJVMYTCIKGGK-UHFFFAOYSA-N
HMDB38952,385.119522785,C17H23NO7S,CO\C([S-])=[NH+]\CC1=CC=C(O[C@@H]2OC(C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)C=C1,"InChI=1S/C17H23NO7S/c1-9-15(24-10(2)19)13(20)14(21)16(23-9)25-12-6-4-11(5-7-12)8-18-17(26)22-3/h4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,26)/t9?,13-,14+,15-,16-/m0/s1",HMXLIRAHSHWREJ,QOYWKHHESA,N,Niazicin A,HMXLIRAHSHWREJ-QOYWKHHESA-N
HMDB38953,404.18350325,C22H28O7,COC1=CC(=CC(OC)=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(O)C(OC)=C1,"InChI=1S/C22H28O7/c1-11-12(2)22(14-9-17(27-5)20(24)18(10-14)28-6)29-21(11)13-7-15(25-3)19(23)16(8-13)26-4/h7-12,21-24H,1-6H3",CAUANPLJFMVCHO,UHFFFAOYSA,N,Fragransin B2,CAUANPLJFMVCHO-UHFFFAOYSA-N
HMDB38954,240.20893014,C15H28O2,CC(C)CC(=O)OCCC(C)CCC=C(C)C,"InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3",WZTNQQJXPYEGAF,UHFFFAOYSA,N,Citronellyl isovalerate,WZTNQQJXPYEGAF-UHFFFAOYSA-N
HMDB38955,279.089543287,C17H13NO3,COC1=CC=CC(\C=C/C2=NC3=CC=CC=C3C(=O)O2)=C1,"InChI=1S/C17H13NO3/c1-20-13-6-4-5-12(11-13)9-10-16-18-15-8-3-2-7-14(15)17(19)21-16/h2-11H,1H3/b10-9-",NODJLUIXDICTEH,KTKRTIGZSA,N,Avenalumin II,NODJLUIXDICTEH-KTKRTIGZSA-N
HMDB38956,291.089543287,C18H13NO3,OC1=CC=C(\C=C\C=C/C2=NC3=CC=CC=C3C(=O)O2)C=C1,"InChI=1S/C18H13NO3/c20-14-11-9-13(10-12-14)5-1-4-8-17-19-16-7-3-2-6-15(16)18(21)22-17/h1-12,20H/b5-1+,8-4-",ASJBOIQMTVOWBG,UJURIKRHSA,N,Avenalumin III,ASJBOIQMTVOWBG-UJURIKRHSA-N
HMDB38957,286.193280076,C19H26O2,CC(CCOC(=O)\C=C\C1=CC=CC=C1)CCC=C(C)C,"InChI=1S/C19H26O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-13,17H,7,9,14-15H2,1-3H3/b13-12+",KMXKQELDKDGFRN,OUKQBFOZSA,N,Citronellyl cinnamate,KMXKQELDKDGFRN-OUKQBFOZSA-N
HMDB38958,254.224580204,C16H30O2,CCCCCC(=O)OCCC(C)CCC=C(C)C,"InChI=1S/C16H30O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,15H,5-8,10-13H2,1-4H3",KNYRCCKTQMBSFP,UHFFFAOYSA,N,Citronellyl hexanoate,KNYRCCKTQMBSFP-UHFFFAOYSA-N
HMDB38959,402.349780716,C27H46O2,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1=CC(O)=CC(C)=C1O,"InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h16,18-22,28-29H,7-15,17H2,1-6H3/b23-16+",GTWCNYRFOZKWTL,XQNSMLJCSA,N,2-Methyl-6-phytylhydroquinone,GTWCNYRFOZKWTL-XQNSMLJCSA-N
HMDB38960,385.100895833,C16H19NO10,OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(O)=O)C(O)C(O)C1O,"InChI=1S/C16H19NO10/c18-5-8-11(21)12(22)13(23)14(27-8)26-7-3-1-2-6-10(7)17-15(24)16(6,25)4-9(19)20/h1-3,8,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20)",VNIXZLMYLWKZLU,UHFFFAOYSA,N,Zeanoside C,VNIXZLMYLWKZLU-UHFFFAOYSA-N
HMDB38961,482.42361436,C32H54N2O,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2,"InChI=1S/C32H54N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(35)33-27-26-29-28-34-31-24-22-21-23-30(29)31/h21-24,28,34H,2-20,25-27H2,1H3,(H,33,35)",HAWFHRQOMIMGFR,UHFFFAOYSA,N,N-[2-(1H-Indol-3-yl)ethyl]docosanamide,HAWFHRQOMIMGFR-UHFFFAOYSA-N
HMDB38962,128.083729628,C7H12O2,CCOC(=O)C(\C)=C\C,"InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+",OAPHLAAOJMTMLY,GQCTYLIASA,N,Ethyl tiglate,OAPHLAAOJMTMLY-GQCTYLIASA-N
HMDB38963,124.0524295,C7H8O2,OCCC(O)C#CC#C,"InChI=1S/C7H8O2/c1-2-3-4-7(9)5-6-8/h1,7-9H,5-6H2",VTFRDZFVCKUXNE,UHFFFAOYSA,N,"4,6-Heptadiyne-1,3-diol",VTFRDZFVCKUXNE-UHFFFAOYSA-N
HMDB38964,286.10525293,C13H18O7,OCC1OC(OCCC(O)C#CC#C)C(O)C(O)C1O,"InChI=1S/C13H18O7/c1-2-3-4-8(15)5-6-19-13-12(18)11(17)10(16)9(7-14)20-13/h1,8-18H,5-7H2",JCEVIZQLLKDJRQ,UHFFFAOYSA,N,"3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside",JCEVIZQLLKDJRQ-UHFFFAOYSA-N
HMDB38965,178.062994186,C10H10O3,OCCCC#CC#C\C=C\C(O)=O,"InChI=1S/C10H10O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,5,7,9H2,(H,12,13)/b8-6+",FFWLSJVIZWBSTJ,SOFGYWHQSA,N,"(E)-10-Hydroxy-2-decene-4,6-diynoic acid",FFWLSJVIZWBSTJ-SOFGYWHQSA-N
HMDB38966,332.198759384,C20H28O4,CC(=O)OCCCCCCCC\C=C\C(O)C#CC#CC(O)C=C,"InChI=1S/C20H28O4/c1-3-19(22)14-11-12-16-20(23)15-10-8-6-4-5-7-9-13-17-24-18(2)21/h3,10,15,19-20,22-23H,1,4-9,13,17H2,2H3/b15-10+",VVURZXYIXNNJCG,XNTDXEJSSA,N,"(9Z,11S,16S)-1-Acetoxy-9,17-octadecadiene-12,14-diyne-11,16-diol",VVURZXYIXNNJCG-XNTDXEJSSA-N
HMDB38967,220.041412582,C9H16S3,CCC(SS\C=C\C)S\C=C/C,"InChI=1S/C9H16S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4-5,7-9H,6H2,1-3H3/b7-4-,8-5+",YFTPKQUIYROJDX,DKBJKEKUSA,N,1-Propenyl 1-(1-propenylthio)propyl disulfide,YFTPKQUIYROJDX-DKBJKEKUSA-N
HMDB38968,236.036327204,C9H16OS3,CCC(SS\C=C\C)S(=O)\C=C/C,"InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,7-9H,6H2,1-3H3/b7-4+,8-5-",ODTGLDLGRKWIAI,NIQPXEJBSA,N,1-Propenyl 1-(1-propenylsulfinyl)propyl disulfide,ODTGLDLGRKWIAI-NIQPXEJBSA-N
HMDB38969,228.20893014,C14H28O2,CCCCCCCCCCCCOC(C)=O,"InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3",VZWGRQBCURJOMT,UHFFFAOYSA,N,Dodecyl acetate,VZWGRQBCURJOMT-UHFFFAOYSA-N
HMDB38970,320.13722176,C16H20N2O5,CC1(C)CC(=O)C2=C(N)C(=CC=C2O1)C(=O)CC(CO)NC=O,"InChI=1S/C16H20N2O5/c1-16(2)6-12(22)14-13(23-16)4-3-10(15(14)17)11(21)5-9(7-19)18-8-20/h3-4,8-9,19H,5-7,17H2,1-2H3,(H,18,20)",ZSARLQOBZZVZSB,UHFFFAOYSA,N,Formylfusarochromanone,ZSARLQOBZZVZSB-UHFFFAOYSA-N
HMDB38971,376.16343651,C19H24N2O6,CC(=O)NC(COC(C)=O)CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N,"InChI=1S/C19H24N2O6/c1-10(22)21-12(9-26-11(2)23)7-14(24)13-5-6-16-17(18(13)20)15(25)8-19(3,4)27-16/h5-6,12H,7-9,20H2,1-4H3,(H,21,22)",NJAMLUYVOHURJN,UHFFFAOYSA,N,Diacetylfusarochromanone,NJAMLUYVOHURJN-UHFFFAOYSA-N
HMDB38972,182.167065326,C12H22O,CCCCC\C=C(\CCCC)C=O,"InChI=1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10-",LYGMPIZYNJGJKP,BENRWUELSA,N,(E)-2-Butyl-2-octenal,LYGMPIZYNJGJKP-BENRWUELSA-N
HMDB38973,129.061220047,C6H11NS,CC1SC(C)C(C)=N1,"InChI=1S/C6H11NS/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3",AIVVNNYXOSPRCW,UHFFFAOYSA,N,"2,5-Dihydro-2,4,5-trimethylthiazole",AIVVNNYXOSPRCW-UHFFFAOYSA-N
HMDB38974,134.0223917,C5H10S2,CC1(C)CCSS1,"InChI=1S/C5H10S2/c1-5(2)3-4-6-7-5/h3-4H2,1-2H3",LFHJFWOMFQJUBC,UHFFFAOYSA,N,"3,3-Dimethyl-1,2-dithiolane",LFHJFWOMFQJUBC-UHFFFAOYSA-N
HMDB38975,1146.545818302,C55H86O25,CC(=O)OC1C(O)C(O)C(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(O)C(=O)CC54C)C3(C)C)OC(C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)OC1CO,"InChI=1S/C55H86O25/c1-22(59)72-40-27(21-58)75-47(38(67)36(40)65)80-44-41(77-48-43(35(64)33(62)26(20-57)74-48)79-46-37(66)34(63)32(61)25(19-56)73-46)39(68)42(45(69)70)78-49(44)76-31-12-13-52(6)28(51(31,4)5)11-14-53(7)29(52)10-9-23-24-17-50(2,3)15-16-55(24,71)30(60)18-54(23,53)8/h9,24-29,31-44,46-49,56-58,61-68,71H,10-21H2,1-8H3,(H,69,70)",LMZLCIKMDCPHLL,UHFFFAOYSA,N,Camellioside B,LMZLCIKMDCPHLL-UHFFFAOYSA-N
HMDB38976,1104.535253616,C53H84O24,CC1(C)CCC2(O)C(C1)C1=CCC3C4(C)CCC(OC5OC(C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O,"InChI=1S/C53H84O24/c1-48(2)14-15-53(69)22(16-48)21-8-9-27-50(5)12-11-29(49(3,4)26(50)10-13-51(27,6)52(21,7)17-28(53)57)73-47-42(77-45-37(65)34(62)31(59)24(19-55)71-45)39(38(66)40(75-47)43(67)68)74-46-41(35(63)32(60)25(20-56)72-46)76-44-36(64)33(61)30(58)23(18-54)70-44/h8,22-27,29-42,44-47,54-56,58-66,69H,9-20H2,1-7H3,(H,67,68)",VSPSMYBTMQXXMU,UHFFFAOYSA,N,Camellioside A,VSPSMYBTMQXXMU-UHFFFAOYSA-N
HMDB38977,444.323959896,C28H44O4,CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C45CC(O)CCC4(C)C3(CCC12C)OO5,"InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h7-8,15,17-22,24,29-30H,9-14,16H2,1-6H3/b8-7+",XCRHWCBOUDKLGM,BQYQJAHWSA,N,"(3beta,5alpha,6beta,9alpha,22E,24R)-5,9-Epidioxyergosta-7,22-diene-3,6-diol",XCRHWCBOUDKLGM-BQYQJAHWSA-N
HMDB38978,186.125594442,C10H18O3,CC(C)C1=CC(O)C(C)(O)CC1O,"InChI=1S/C10H18O3/c1-6(2)7-4-9(12)10(3,13)5-8(7)11/h4,6,8-9,11-13H,5H2,1-3H3",SYRVWXFZYGDVTF,UHFFFAOYSA,N,"(1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol",SYRVWXFZYGDVTF-UHFFFAOYSA-N
HMDB38979,330.167853186,C16H26O7,CC(C)C12OC1CC(C)=CC2OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H26O7/c1-7(2)16-10(4-8(3)5-11(16)23-16)22-15-14(20)13(19)12(18)9(6-17)21-15/h4,7,9-15,17-20H,5-6H2,1-3H3",BMTDVVBLRDGOJT,UHFFFAOYSA,N,"(3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside",BMTDVVBLRDGOJT-UHFFFAOYSA-N
HMDB38980,332.18350325,C16H28O7,CC(C)C1(CC=C(C)C(O)C1)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O7/c1-8(2)16(5-4-9(3)10(18)6-16)23-15-14(21)13(20)12(19)11(7-17)22-15/h4,8,10-15,17-21H,5-7H2,1-3H3",HLDKDYHDZWXFNX,UHFFFAOYSA,N,"(4R,6S)-p-Menth-1-ene-4,6-diol 4-glucoside",HLDKDYHDZWXFNX-UHFFFAOYSA-N
HMDB38981,332.18350325,C16H28O7,CC(C)C1(CCC(CO)=CC1)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O7/c1-9(2)16(5-3-10(7-17)4-6-16)23-15-14(21)13(20)12(19)11(8-18)22-15/h3,9,11-15,17-21H,4-8H2,1-2H3",WBDMFFSFFQSHFV,UHFFFAOYSA,N,"(S)-p-Menth-1-ene-4,7-diol 4-glucoside",WBDMFFSFFQSHFV-UHFFFAOYSA-N
HMDB38982,220.18271539,C15H24O,CCCCCCCCCC1=CC=C(O)C=C1,"InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3",IGFHQQFPSIBGKE,UHFFFAOYSA,N,4-Nonylphenol,IGFHQQFPSIBGKE-UHFFFAOYSA-N
HMDB38983,970.477344808,C48H74O20,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H74O20/c1-43(2)25-10-13-47(6)26(45(25,4)12-11-27(43)65-40-34(57)35(33(56)36(67-40)37(58)59)66-38-31(54)28(51)23(50)20-63-38)9-8-21-22-18-44(3,41(60)62-7)14-16-48(22,17-15-46(21,47)5)42(61)68-39-32(55)30(53)29(52)24(19-49)64-39/h8,22-36,38-40,49-57H,9-20H2,1-7H3,(H,58,59)",KYRYOPAMFZUNMD,UHFFFAOYSA,N,28-Glucosyl-3b-hydroxy-12-oleanene-30-methoxy-28-oic acid 3-[arabinosyl-(1->3)-glucuronide],KYRYOPAMFZUNMD-UHFFFAOYSA-N
HMDB38984,136.088815006,C9H12O,CCC1=CC=C(O)C(C)=C1,"InChI=1S/C9H12O/c1-3-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3",QDQMEHXIUFCIGR,UHFFFAOYSA,N,4-Ethyl-2-methylphenol,QDQMEHXIUFCIGR-UHFFFAOYSA-N
HMDB38985,136.088815006,C9H12O,CCC1=CC(O)=CC(C)=C1,"InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3",XTCHLXABLZQNNN,UHFFFAOYSA,N,3-Ethyl-5-methylphenol,XTCHLXABLZQNNN-UHFFFAOYSA-N
HMDB38986,136.088815006,C9H12O,CCC1=CC(O)=CC=C1C,"InChI=1S/C9H12O/c1-3-8-6-9(10)5-4-7(8)2/h4-6,10H,3H2,1-2H3",BTRPJOHXPQOVLS,UHFFFAOYSA,N,3-Ethyl-4-methylphenol,BTRPJOHXPQOVLS-UHFFFAOYSA-N
HMDB38987,136.088815006,C9H12O,CCC1=C(O)C=C(C)C=C1,"InChI=1S/C9H12O/c1-3-8-5-4-7(2)6-9(8)10/h4-6,10H,3H2,1-2H3",LTRVUFFOMIUCPJ,UHFFFAOYSA,N,2-Ethyl-5-methylphenol,LTRVUFFOMIUCPJ-UHFFFAOYSA-N
HMDB38988,136.088815006,C9H12O,CCC1=C(O)C=CC(C)=C1,"InChI=1S/C9H12O/c1-3-8-6-7(2)4-5-9(8)10/h4-6,10H,3H2,1-2H3",AVVVXUXMKWPKAJ,UHFFFAOYSA,N,2-Ethyl-4-methylphenol,AVVVXUXMKWPKAJ-UHFFFAOYSA-N
HMDB38989,282.146723814,C15H22O5,CC(C)CC(=O)C1=C(O)C(O)C(O)(CC=C(C)C)C1=O,"InChI=1S/C15H22O5/c1-8(2)5-6-15(20)13(18)11(12(17)14(15)19)10(16)7-9(3)4/h5,9,14,17,19-20H,6-7H2,1-4H3",QSHUUGSBRMSXKV,UHFFFAOYSA,N,Oxyhumulinic acid,QSHUUGSBRMSXKV-UHFFFAOYSA-N
HMDB38990,221.068807845,C11H11NO4,COC(=O)CC1C(=O)NC2=CC=C(O)C=C12,"InChI=1S/C11H11NO4/c1-16-10(14)5-8-7-4-6(13)2-3-9(7)12-11(8)15/h2-4,8,13H,5H2,1H3,(H,12,15)",PQPVNWBNDOFPBO,UHFFFAOYSA,N,Methyl 5-hydroxyoxindole-3-acetate,PQPVNWBNDOFPBO-UHFFFAOYSA-N
HMDB38991,221.068807845,C11H11NO4,COC(=O)CC1(O)C(=O)NC2=CC=CC=C12,"InChI=1S/C11H11NO4/c1-16-9(13)6-11(15)7-4-2-3-5-8(7)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14)",BHWUWPHGCCRYBU,UHFFFAOYSA,N,Methyl dioxindole-3-acetate,BHWUWPHGCCRYBU-UHFFFAOYSA-N
HMDB38992,1080.535253616,C51H84O24,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C51H84O24/c1-19-7-10-51(66-18-19)20(2)32-27(75-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3",OJXYLGQQFXELNY,UHFFFAOYSA,N,Cistocardin,OJXYLGQQFXELNY-UHFFFAOYSA-N
HMDB38994,276.172544634,C17H24O3,OC(CCCCCC=C)C(O)CC#CC#CC(O)C=C,"InChI=1S/C17H24O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h3-4,15-20H,1-2,5-7,10,13-14H2",WNVDKDQMWFSCPI,UHFFFAOYSA,N,Ginsenoyne C,WNVDKDQMWFSCPI-UHFFFAOYSA-N
HMDB38995,284.141244506,C18H20O3,CC(O)C#CC#CC#CC#CCCCCCCCC(O)=O,"InChI=1S/C18H20O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h17,19H,4,6,8,10,12,14,16H2,1H3,(H,20,21)",MTWGWIOCIREVRF,UHFFFAOYSA,N,"(S)-17-Hydroxy-9,11,13,15-octadecatetraynoic acid",MTWGWIOCIREVRF-UHFFFAOYSA-N
HMDB38996,220.146329884,C14H20O2,CCCCCCC(O)\C=C/C(O)C#CC#C,"InChI=1S/C14H20O2/c1-3-5-7-8-10-14(16)12-11-13(15)9-6-4-2/h2,11-16H,3,5,7-8,10H2,1H3/b12-11-",AGXXOOILRXZQTH,QXMHVHEDSA,N,"(Z)-6-Tetradecene-1,3-diyne-5,8-diol",AGXXOOILRXZQTH-QXMHVHEDSA-N
HMDB38997,120.057514878,C8H8O,OCCC#CC#CC=C,"InChI=1S/C8H8O/c1-2-3-4-5-6-7-8-9/h2,9H,1,7-8H2",AGWFAJXETXIOEE,UHFFFAOYSA,N,Lentialexin,AGWFAJXETXIOEE-UHFFFAOYSA-N
HMDB38998,118.041864814,C8H6O,OCCC#CC#CC#C,"InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h1,9H,7-8H2",UKLDABCYBVVGHL,UHFFFAOYSA,N,"3,5,7-Octatriyn-1-ol",UKLDABCYBVVGHL-UHFFFAOYSA-N
HMDB38999,358.145009254,C17H26O6S,CCCCCC(CC(=O)CCC1=CC(OC)=C(O)C=C1)S(O)(=O)=O,"InChI=1S/C17H26O6S/c1-3-4-5-6-15(24(20,21)22)12-14(18)9-7-13-8-10-16(19)17(11-13)23-2/h8,10-11,15,19H,3-7,9,12H2,1-2H3,(H,20,21,22)",UGTSZVWDFDIWIG,UHFFFAOYSA,N,6-Gingesulfonic acid,UGTSZVWDFDIWIG-UHFFFAOYSA-N
HMDB39000,156.187800768,C11H24,CCCCCCCCC(C)C,"InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3",CNPVJWYWYZMPDS,UHFFFAOYSA,N,2-Methyldecane,CNPVJWYWYZMPDS-UHFFFAOYSA-N
HMDB39001,520.24208076,C26H36N2O9,CCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)[C@@H](C)OC1=O,"InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1",PVEVXUMVNWSNIG,PDPGNHKXSA,N,Purothionin AII,PVEVXUMVNWSNIG-PDPGNHKXSA-N
HMDB39002,332.121965626,C13H20N2O8,COC1=C(CC(O)(CO)C\C1=N/C(CO)C(O)=O)NCC(O)=O,"InChI=1S/C13H20N2O8/c1-23-11-7(14-4-10(18)19)2-13(22,6-17)3-8(11)15-9(5-16)12(20)21/h9,14,16-17,22H,2-6H2,1H3,(H,18,19)(H,20,21)/b15-8+",WXEQFJUHQIGKNG,OVCLIPMQSA,N,Mytilin A,WXEQFJUHQIGKNG-OVCLIPMQSA-N
HMDB39003,738.41904207,C39H62O13,CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C39H62O13/c1-17-8-11-39(47-16-17)18(2)28-26(52-39)13-23-21-7-6-20-12-25(24(41)14-38(20,5)22(21)9-10-37(23,28)4)49-36-34(32(45)30(43)27(15-40)50-36)51-35-33(46)31(44)29(42)19(3)48-35/h6,17-19,21-36,40-46H,7-16H2,1-5H3",JLHNRUIVXOGFRP,UHFFFAOYSA,N,Fistuloside A,JLHNRUIVXOGFRP-UHFFFAOYSA-N
HMDB39004,900.4718655,C45H72O18,CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-27(63-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)29(16-47)60-42)61-41-37(55)35(53)32(50)28(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3",HCWNBMHHBWNUPV,UHFFFAOYSA,N,Fistuloside B,HCWNBMHHBWNUPV-UHFFFAOYSA-N
HMDB39005,678.290093584,C35H42N4O10,COC(=O)C1C(C2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(C(O)CO)=C3C)N2)C2=C(C(C)=C(CC3=C(CCO)C(C)=C(N3)C=O)N2)C1=O,"InChI=1S/C35H42N4O10/c1-14-18(8-9-40)23(36-24(14)12-41)11-21-17(4)28-32(38-21)29(30(33(28)46)35(48)49-5)31-19(6-7-26(44)45)15(2)20(37-31)10-22-16(3)27(25(43)13-42)34(47)39-22/h12,22,25,29-30,36-38,40,42-43H,6-11,13H2,1-5H3,(H,39,47)(H,44,45)",INOJDBSSBUQCKE,UHFFFAOYSA,N,Hv-NCC-1,INOJDBSSBUQCKE-UHFFFAOYSA-N
HMDB39006,1086.52468893,C53H82O23,CC1(C)CCC2=C(C1)C1=CCC3C4(C)CCC(OC5OC(C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O,"InChI=1S/C53H82O23/c1-49(2)13-10-21-22(16-49)23-8-9-29-51(5)14-12-30(50(3,4)28(51)11-15-52(29,6)53(23,7)17-24(21)57)72-48-43(76-46-38(65)35(62)32(59)26(19-55)70-46)40(39(66)41(74-48)44(67)68)73-47-42(36(63)33(60)27(20-56)71-47)75-45-37(64)34(61)31(58)25(18-54)69-45/h8,25-43,45-48,54-56,58-66H,9-20H2,1-7H3,(H,67,68)",SKIHUNYUOHGHDD,UHFFFAOYSA,N,Camellioside C,SKIHUNYUOHGHDD-UHFFFAOYSA-N
HMDB39007,916.466780122,C45H72O19,CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-36(55)34(53)38(29(16-48)61-40)62-42-37(56)39(32(51)28(15-47)60-42)63-41-35(54)33(52)31(50)27(14-46)59-41/h5,18-19,21-42,46-56H,6-17H2,1-4H3",DNDKMGVAVSZIHV,UHFFFAOYSA,N,Fistuloside C,DNDKMGVAVSZIHV-UHFFFAOYSA-N
HMDB39008,152.120115134,C10H16O,CC(C)C12CCC(=C)CC1O2,"InChI=1S/C10H16O/c1-7(2)10-5-4-8(3)6-9(10)11-10/h7,9H,3-6H2,1-2H3",ITEDXWDCHPDNGM,UHFFFAOYSA,N,"3,4-Epoxy-p-menth-1(7)-ene",ITEDXWDCHPDNGM-UHFFFAOYSA-N
HMDB39009,972.492994872,C48H76O20,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H76O20/c1-43(2)14-15-48(42(62)68-40-33(57)31(55)29(53)23(19-50)64-40)21(16-43)20-8-9-25-45(5)12-11-27(44(3,4)24(45)10-13-46(25,6)47(20,7)17-26(48)51)65-41-35(59)36(34(58)37(67-41)38(60)61)66-39-32(56)30(54)28(52)22(18-49)63-39/h8,21-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)",KLBINBPSEHGZTI,UHFFFAOYSA,N,Calendasaponin B,KLBINBPSEHGZTI-UHFFFAOYSA-N
HMDB39010,1134.545818302,C54H86O25,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C54H86O25/c1-49(2)14-15-54(48(71)79-46-38(67)35(64)32(61)25(20-57)74-46)22(16-49)21-8-9-27-51(5)12-11-29(50(3,4)26(51)10-13-52(27,6)53(21,7)17-28(54)58)75-47-42(78-45-37(66)34(63)31(60)24(19-56)73-45)40(39(68)41(77-47)43(69)70)76-44-36(65)33(62)30(59)23(18-55)72-44/h8,22-42,44-47,55-68H,9-20H2,1-7H3,(H,69,70)",CQWDRHJHLPBCGO,UHFFFAOYSA,N,Calendasaponin C,CQWDRHJHLPBCGO-UHFFFAOYSA-N
HMDB39011,232.146329884,C15H20O2,CC1=CC=CC2(C)CCC(CC12)C(=C)C(O)=O,"InChI=1S/C15H20O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h4-5,7,12-13H,2,6,8-9H2,1,3H3,(H,16,17)",WUAXEEZNSBQKSA,UHFFFAOYSA,N,"1,3,11(13)-Eudesmatrien-12-oic acid",WUAXEEZNSBQKSA-UHFFFAOYSA-N
HMDB39012,318.219494826,C20H30O3,CC12C3CC4(C1O)C(CC23)C1(C)CCCC(C)(CO)C1CC4=O,"InChI=1S/C20H30O3/c1-17(10-21)5-4-6-18(2)13(17)8-15(22)20-9-12-11(7-14(18)20)19(12,3)16(20)23/h11-14,16,21,23H,4-10H2,1-3H3",SSTASBUCOHAYRJ,UHFFFAOYSA,N,"(ent-15beta)-15,19-Dihydroxy-7-trachylobanone",SSTASBUCOHAYRJ-UHFFFAOYSA-N
HMDB39013,424.209718,C22H32O8,COC1CC(=O)C(CO)CC2OC(=O)C(=C)C2C(CC1(C)OC)OC(=O)C(\C)=C\C,"InChI=1S/C22H32O8/c1-7-12(2)20(25)30-17-10-22(4,28-6)18(27-5)9-15(24)14(11-23)8-16-19(17)13(3)21(26)29-16/h7,14,16-19,23H,3,8-11H2,1-2,4-6H3/b12-7+",LOQBOYSPYWSYGO,KPKJPENVSA,N,"8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide",LOQBOYSPYWSYGO-KPKJPENVSA-N
HMDB39014,348.178417872,C16H28O8,CC(COC1OC(CO)C(O)C(O)C1O)C1CCC(C)C1C(O)=O,"InChI=1S/C16H28O8/c1-7-3-4-9(11(7)15(21)22)8(2)6-23-16-14(20)13(19)12(18)10(5-17)24-16/h7-14,16-20H,3-6H2,1-2H3,(H,21,22)",NCBSGBLITRBNGW,UHFFFAOYSA,N,Nepetariaside,NCBSGBLITRBNGW-UHFFFAOYSA-N
HMDB39015,484.334130652,C34H44O2,CC(=O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C/C=C/C(/C)=C/C=C/C(/C)=C\C=C1/C(C)=CC(O)CC1(C)C,"InChI=1S/C34H44O2/c1-26(16-11-18-28(3)20-13-21-31(6)35)14-9-10-15-27(2)17-12-19-29(4)22-23-33-30(5)24-32(36)25-34(33,7)8/h9-24,32,36H,25H2,1-8H3/b14-9-,15-10+,18-11+,19-12+,21-13+,26-16+,27-17+,28-20+,29-22-,33-23+",KQBKJSVYIBRYNQ,KKMFPEKASA,N,Tangeraxanthin,KQBKJSVYIBRYNQ-KKMFPEKASA-N
HMDB39016,416.307915902,C30H40O,CC(C)=CCC\C(C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(/C)C=O,"InChI=1S/C30H40O/c1-25(2)14-10-17-28(5)19-12-21-29(6)20-11-18-26(3)15-8-9-16-27(4)22-13-23-30(7)24-31/h8-9,11-16,18-24H,10,17H2,1-7H3/b9-8+,18-11+,21-12+,22-13+,26-15+,27-16-,28-19-,29-20+,30-23+",AQXFMDSHWVVBIM,CUKPWAEMSA,N,Apo-8'-lycopenal,AQXFMDSHWVVBIM-CUKPWAEMSA-N
HMDB39017,568.428031036,C40H56O2,CC(=O)CCCC(C)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C40H56O2/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38(42)40(9,10)30-16-24-36(6)41/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13-,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+",PDBIWYOLPQXSTF,LXAKRSFRSA,N,Semi-beta-carotenone,PDBIWYOLPQXSTF-LXAKRSFRSA-N
HMDB39018,408.266445018,C27H36O3,C\C(\C=C/C=O)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-18,24,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10-,17-16+,21-11+,22-12-,23-14-",QZOYIQGWDBXSHB,AFMCRXATSA,N,Apo-10'-violaxanthal,QZOYIQGWDBXSHB-AFMCRXATSA-N
HMDB39019,392.271530396,C27H36O2,C\C(\C=C\C=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+",HQPQTQQUHPFUOA,JNOJMRGUSA,N,"3-Hydroxy-10'-apo-b,y-carotenal",HQPQTQQUHPFUOA-JNOJMRGUSA-N
HMDB39020,410.282095082,C27H38O3,C\C(\C=C\CO)=C/C=C/C=C(\C)/C=C/C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1,"InChI=1S/C27H38O3/c1-20(11-7-8-12-21(2)14-10-16-28)13-9-15-22(3)24-17-25-26(4,5)18-23(29)19-27(25,6)30-24/h7-15,17,23-24,28-29H,16,18-19H2,1-6H3/b8-7+,13-9+,14-10+,20-11+,21-12+,22-15-",OOJOUQLXWXASLN,TVICGMDOSA,N,"5,8-Epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol",OOJOUQLXWXASLN-TVICGMDOSA-N
HMDB39021,410.282095082,C27H38O3,C\C(\C=C/CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C27H38O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-17,24,28-29H,18-20H2,1-6H3/b8-7+,13-9+,15-10-,17-16+,21-11+,22-12-,23-14-",GMQZSQMIENYQEB,AFMCRXATSA,N,"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol",GMQZSQMIENYQEB-AFMCRXATSA-N
HMDB39022,412.297745146,C27H40O3,C\C(CC=C)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)\C=C1\C(C)(C)CC(O)CC1(C)O,"InChI=1S/C27H40O3/c1-8-12-20(2)13-9-10-14-21(3)15-11-16-22(4)24(29)17-25-26(5,6)18-23(28)19-27(25,7)30/h8-11,13-17,23-24,28-30H,1,12,18-19H2,2-7H3/b10-9+,15-11+,20-13+,21-14+,22-16+,25-17-",JPXAXNVNJAVGLE,RNEGWMEASA,N,Unknown 370,JPXAXNVNJAVGLE-RNEGWMEASA-N
HMDB39023,600.41786028,C40H56O4,CC(=O)CCCC(C)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C/C=C(/C)\C=C\C=C(/C)\C=C/C(=O)C(C)(C)CCCC(C)=O,"InChI=1S/C40H56O4/c1-31(19-13-21-33(3)25-27-37(43)39(7,8)29-15-23-35(5)41)17-11-12-18-32(2)20-14-22-34(4)26-28-38(44)40(9,10)30-16-24-36(6)42/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11-,19-13+,20-14+,27-25-,28-26+,31-17-,32-18+,33-21+,34-22+",UQKVQNUNGXYNOJ,KQXPAGOKSA,N,beta-Carotenone,UQKVQNUNGXYNOJ-KQXPAGOKSA-N
HMDB39024,448.297745146,C30H40O3,C\C(C=O)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1,"InChI=1S/C30H40O3/c1-22(14-10-16-24(3)21-31)12-8-9-13-23(2)15-11-17-25(4)27-18-28-29(5,6)19-26(32)20-30(28,7)33-27/h8-18,21,26-27,32H,19-20H2,1-7H3/b9-8+,14-10+,15-11+,22-12+,23-13+,24-16-,25-17-",DFTUPAXJLNIGJB,UUVOACAKSA,N,"5,8-Epoxy-5,8-dihydro-3-hydroxy-8'-apo-b,y-carotenal",DFTUPAXJLNIGJB-UUVOACAKSA-N
HMDB39025,376.094688244,C22H16O6,COC1=CC(=O)C2=CC(C)=CC(C3=C(OC)C=C4OC(=O)C=CC4=C3)=C2C1=O,"InChI=1S/C22H16O6/c1-11-6-14(21-15(7-11)16(23)9-19(27-3)22(21)25)13-8-12-4-5-20(24)28-17(12)10-18(13)26-2/h4-10H,1-3H3",MSDIEAZOLJWCBV,UHFFFAOYSA,N,Naphthoherniarin,MSDIEAZOLJWCBV-UHFFFAOYSA-N
HMDB39026,496.15807636,C23H28O12,COC1=C2OC(=O)C=CC2=C(OCC(O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)C2=C1OC=C2,"InChI=1S/C23H28O12/c1-23(2,35-22-17(29)16(28)15(27)12(8-24)33-22)13(25)9-32-18-10-4-5-14(26)34-20(10)21(30-3)19-11(18)6-7-31-19/h4-7,12-13,15-17,22,24-25,27-29H,8-9H2,1-3H3",IDHOCZIKYQXYFE,UHFFFAOYSA,N,(R)-Isobyakangelicin 3'-glucoside,IDHOCZIKYQXYFE-UHFFFAOYSA-N
HMDB39027,262.084123558,C14H14O5,CC(C)(O)C1CC2=C(O1)C=C1OC(=O)C=CC1=C2O,"InChI=1S/C14H14O5/c1-14(2,17)11-5-8-10(18-11)6-9-7(13(8)16)3-4-12(15)19-9/h3-4,6,11,16-17H,5H2,1-2H3",WCBFKVBQHXJRCX,UHFFFAOYSA,N,Celereoin,WCBFKVBQHXJRCX-UHFFFAOYSA-N
HMDB39028,424.136946988,C20H24O10,CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC2=C(O1)C=C1OC(=O)C=CC1=C2O,"InChI=1S/C20H24O10/c1-20(2,30-19-18(26)17(25)16(24)12(7-21)29-19)13-5-9-11(27-13)6-10-8(15(9)23)3-4-14(22)28-10/h3-4,6,12-13,16-19,21,23-26H,5,7H2,1-2H3",JMWIRXQFQXREAB,UHFFFAOYSA,N,Celereoside,JMWIRXQFQXREAB-UHFFFAOYSA-N
HMDB39029,388.188588628,C22H28O6,CCCC1=CC(=O)OC2=C1C(O)=C1CC(O)C(C)(C)OC1=C2C(=O)C(C)CC,"InChI=1S/C22H28O6/c1-6-8-12-9-15(24)27-21-16(12)19(26)13-10-14(23)22(4,5)28-20(13)17(21)18(25)11(3)7-2/h9,11,14,23,26H,6-8,10H2,1-5H3",IWAUBOJXTGEZNN,UHFFFAOYSA,N,Pyranomammea B,IWAUBOJXTGEZNN-UHFFFAOYSA-N
HMDB39030,292.094688244,C15H16O6,COC1=CC2=C(C(O)C(O)C(C)(C)O2)C2=C1C=CC(=O)O2,"InChI=1S/C15H16O6/c1-15(2)14(18)12(17)11-9(21-15)6-8(19-3)7-4-5-10(16)20-13(7)11/h4-6,12,14,17-18H,1-3H3",RRUHFAXVNXSPNG,UHFFFAOYSA,N,trans-Grandmarin,RRUHFAXVNXSPNG-UHFFFAOYSA-N
HMDB39031,306.110338308,C16H18O6,COC1C(O)C(C)(C)OC2=C1C1=C(C=CC(=O)O1)C(OC)=C2,"InChI=1S/C16H18O6/c1-16(2)15(18)14(20-4)12-10(22-16)7-9(19-3)8-5-6-11(17)21-13(8)12/h5-7,14-15,18H,1-4H3",NACAFQOYZHTCHZ,UHFFFAOYSA,N,trans-O-Methylgrandmarin,NACAFQOYZHTCHZ-UHFFFAOYSA-N
HMDB39032,376.152203122,C20H24O7,COC1=CC2=C(C(O)C(OC(=O)CC(C)C)C(C)(C)O2)C2=C1C=CC(=O)O2,"InChI=1S/C20H24O7/c1-10(2)8-15(22)26-19-17(23)16-13(27-20(19,3)4)9-12(24-5)11-6-7-14(21)25-18(11)16/h6-7,9-10,17,19,23H,8H2,1-5H3",KULKFALUVSLOHX,UHFFFAOYSA,N,trans-Grandmarin isovalerate,KULKFALUVSLOHX-UHFFFAOYSA-N
HMDB39033,380.198759384,C24H28O4,CC(C)(C=C)C1=C2OC(=O)C=CC2=C(O)C2=C1OC(C)(C)C(=C2)C(C)(C)C=C,"InChI=1S/C24H28O4/c1-9-22(3,4)16-13-15-19(26)14-11-12-17(25)27-20(14)18(23(5,6)10-2)21(15)28-24(16,7)8/h9-13,26H,1-2H2,3-8H3",OPQNNWVPHFUNEH,UHFFFAOYSA,N,Kinocoumarin,OPQNNWVPHFUNEH-UHFFFAOYSA-N
HMDB39034,360.1572885,C20H24O6,COC1=C(\C=C\C(C)(O)COC(=O)CC(C)C)C2=C(C=CC(=O)O2)C=C1,"InChI=1S/C20H24O6/c1-13(2)11-18(22)25-12-20(3,23)10-9-15-16(24-4)7-5-14-6-8-17(21)26-19(14)15/h5-10,13,23H,11-12H2,1-4H3/b10-9+",FPSUCNLAFSYJJZ,MDZDMXLPSA,N,Casegravol isovalerate,FPSUCNLAFSYJJZ-MDZDMXLPSA-N
HMDB39035,264.053492132,C15H8N2O3,OC1=CC2=C(C=CC(=O)O2)C2=C1C1=CC=CC=C1N=N2,"InChI=1S/C15H8N2O3/c18-11-7-12-9(5-6-13(19)20-12)15-14(11)8-3-1-2-4-10(8)16-17-15/h1-7,18H",WNQBVKOXDIYRFH,UHFFFAOYSA,N,Necatorine,WNQBVKOXDIYRFH-UHFFFAOYSA-N
HMDB39036,398.20932407,C24H30O5,CC1CC(O)C2(C)C(C)C(=O)CCC2C1(C)COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C24H30O5/c1-14-11-21(26)24(4)15(2)18(25)8-9-20(24)23(14,3)13-28-17-7-5-16-6-10-22(27)29-19(16)12-17/h5-7,10,12,14-15,20-21,26H,8-9,11,13H2,1-4H3",XYUJBOZUFFMPGO,UHFFFAOYSA,N,Kamolonol,XYUJBOZUFFMPGO-UHFFFAOYSA-N
HMDB39037,424.136946988,C20H24O10,CC(C)(OC1OC(CO)C(O)C(O)C1O)C1OC2=C(C=C3C=CC(=O)OC3=C2)C1O,"InChI=1S/C20H24O10/c1-20(2,30-19-17(26)16(25)15(24)12(7-21)29-19)18-14(23)9-5-8-3-4-13(22)27-10(8)6-11(9)28-18/h3-6,12,14-19,21,23-26H,7H2,1-2H3",KLPNFWKZLQAVTH,UHFFFAOYSA,N,Smyrindioloside,KLPNFWKZLQAVTH-UHFFFAOYSA-N
HMDB39038,424.136946988,C20H24O10,CC(O)(COC1OC(CO)C(O)C(O)C1O)C1CC2=C(O1)C=C1OC(=O)C=CC1=C2,"InChI=1S/C20H24O10/c1-20(26,8-27-19-18(25)17(24)16(23)13(7-21)30-19)14-5-10-4-9-2-3-15(22)29-11(9)6-12(10)28-14/h2-4,6,13-14,16-19,21,23-26H,5,7-8H2,1H3",LCIXUGGPLIEEGU,UHFFFAOYSA,N,"(1'x,2S)-2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one 2'-glucoside",LCIXUGGPLIEEGU-UHFFFAOYSA-N
HMDB39039,406.126382302,C20H22O9,CC(=C)C1CC2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C1OC(=O)C=CC1=C2,"InChI=1S/C20H22O9/c1-8(2)11-6-10-5-9-3-4-13(22)28-17(9)19(18(10)26-11)29-20-16(25)15(24)14(23)12(7-21)27-20/h3-5,11-12,14-16,20-21,23-25H,1,6-7H2,2H3",VPAPSBNFWBXZLU,UHFFFAOYSA,N,(R)-Apiumetin glucoside,VPAPSBNFWBXZLU-UHFFFAOYSA-N
HMDB39040,570.173726424,C29H30O12,CC(C)(OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2,"InChI=1S/C29H30O12/c1-29(2,19-12-16-11-15-6-10-21(32)40-26(15)25(36)27(16)39-19)41-28-24(35)23(34)22(33)18(38-28)13-37-20(31)9-5-14-3-7-17(30)8-4-14/h3-11,18-19,22-24,28,30,33-36H,12-13H2,1-2H3/b9-5+",PUPQENMYBCRTJC,WEVVVXLNSA,N,Apiumoside,PUPQENMYBCRTJC-WEVVVXLNSA-N
HMDB39041,630.194855796,C31H34O14,COC1=CC(\C=C\C(=O)OCC2OC(OC(C)(C)C3CC4=C(O3)C(O)=C3OC(=O)C=CC3=C4)C(O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C31H34O14/c1-31(2,20-12-16-11-15-6-8-22(33)44-28(15)27(38)29(16)43-20)45-30-26(37)25(36)24(35)19(42-30)13-41-21(32)7-5-14-9-17(39-3)23(34)18(10-14)40-4/h5-11,19-20,24-26,30,34-38H,12-13H2,1-4H3/b7-5+",IVHSSCUMYDHEGB,FNORWQNLSA,N,(R)-Rutaretin 1'-(6''-sinapoylglucoside),IVHSSCUMYDHEGB-FNORWQNLSA-N
HMDB39042,396.193674006,C24H28O5,CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C24H28O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,20,22,26H,9-10,13H2,1-4H3",HIQLOIOGTRDMIW,UHFFFAOYSA,N,"(3'x,5'a,9'x,10'b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone",HIQLOIOGTRDMIW-UHFFFAOYSA-N
HMDB39043,380.198759384,C24H28O4,CC1=CC(=O)C2C(C)(C)CCCC2(C)C1COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C24H28O4/c1-15-12-19(25)22-23(2,3)10-5-11-24(22,4)18(15)14-27-17-8-6-16-7-9-21(26)28-20(16)13-17/h6-9,12-13,18,22H,5,10-11,14H2,1-4H3",CKZQOSCRZFMJSZ,UHFFFAOYSA,N,"(3'x,5'a,9'x,10'b)-O-(6-Oxo-7-drimen-11-yl)umbelliferone",CKZQOSCRZFMJSZ-UHFFFAOYSA-N
HMDB39044,288.136159128,C17H20O4,CCOC(C)(C)\C=C\C1=CC2=C(OC(=O)C=C2)C=C1OC,"InChI=1S/C17H20O4/c1-5-20-17(2,3)9-8-13-10-12-6-7-16(18)21-15(12)11-14(13)19-4/h6-11H,5H2,1-4H3/b9-8+",BAIKIOHEOXKBCN,CMDGGOBGSA,N,Ethylsuberenol,BAIKIOHEOXKBCN-CMDGGOBGSA-N
HMDB39045,190.02660868,C10H6O4,O=C1OC2=C(C=CC3=C2OCO3)C=C1,"InChI=1S/C10H6O4/c11-8-4-2-6-1-3-7-10(9(6)14-8)13-5-12-7/h1-4H,5H2",OZRUEXJYRHKIJC,UHFFFAOYSA,N,"8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one",OZRUEXJYRHKIJC-UHFFFAOYSA-N
HMDB39046,366.073952802,C20H14O7,COC1=C(OC)C=C2C=C(OC3=CC4=C(C=CC(=O)O4)C=C3)C(=O)OC2=C1,"InChI=1S/C20H14O7/c1-23-16-7-12-8-18(20(22)27-15(12)10-17(16)24-2)25-13-5-3-11-4-6-19(21)26-14(11)9-13/h3-10H,1-2H3",BCLNKNUUTUITEA,UHFFFAOYSA,N,Daphnoretin methyl ether,BCLNKNUUTUITEA-UHFFFAOYSA-N
HMDB39047,394.089996796,C18H18O10,COC1=C2C=CC(=O)OC2=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C=CO2,"InChI=1S/C18H18O10/c1-24-14-7-2-3-10(20)27-16(7)17(15-8(14)4-5-25-15)28-18-13(23)12(22)11(21)9(6-19)26-18/h2-5,9,11-13,18-19,21-23H,6H2,1H3",BPZBSASYSWKXFS,UHFFFAOYSA,N,9-Hydroxy-4-methoxypsoralen 9-glucoside,BPZBSASYSWKXFS-UHFFFAOYSA-N
HMDB39048,410.136553058,C23H22O7,CC1C2C(OC1=O)C1C(C=O)=CC(=O)C1=C(C)CC2OC(=O)CC1=CC=C(O)C=C1,"InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9-10,12,17,20-22,25H,7-8H2,1-2H3",CICWEHOIACOOIN,UHFFFAOYSA,N,"(5a,6a,8a,11a)-8-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide-15-al 8-(4-hydroxyphenylacetate)",CICWEHOIACOOIN-UHFFFAOYSA-N
HMDB39049,652.41864814,C36H60O10,C\C(=C/C(O)C1OC1(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H60O10/c1-17(13-20(39)30-33(4,5)46-30)18-9-12-35(7)25(18)19(38)14-23-34(6)11-10-24(40)32(2,3)29(34)21(15-36(23,35)8)44-31-28(43)27(42)26(41)22(16-37)45-31/h13,18-31,37-43H,9-12,14-16H2,1-8H3/b17-13+",OUICDHFBMJCDTL,GHRIWEEISA,N,Notoginsenoside T1,OUICDHFBMJCDTL-GHRIWEEISA-N
HMDB39050,666.434298204,C37H62O10,COC(\C=C(/C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O)C1OC1(C)C,"InChI=1S/C37H62O10/c1-18(14-21(44-9)31-34(4,5)47-31)19-10-13-36(7)26(19)20(39)15-24-35(6)12-11-25(40)33(2,3)30(35)22(16-37(24,36)8)45-32-29(43)28(42)27(41)23(17-38)46-32/h14,19-32,38-43H,10-13,15-17H2,1-9H3/b18-14+",UWWGFPDRXDYTKI,NBVRZTHBSA,N,Notoginsenoside T2,UWWGFPDRXDYTKI-NBVRZTHBSA-N
HMDB39051,554.345483198,C30H50O9,CC(=O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C30H50O9/c1-14(32)15-7-10-29(5)21(15)16(33)11-19-28(4)9-8-20(34)27(2,3)25(28)17(12-30(19,29)6)38-26-24(37)23(36)22(35)18(13-31)39-26/h15-26,31,33-37H,7-13H2,1-6H3",MFXYPCMYAZAZDX,UHFFFAOYSA,N,Notoginsenoside R10,MFXYPCMYAZAZDX-UHFFFAOYSA-N
HMDB39052,184.109944375,C10H16O3,CC1=CCC(CC1=O)C(C)(O)CO,"InChI=1S/C10H16O3/c1-7-3-4-8(5-9(7)12)10(2,13)6-11/h3,8,11,13H,4-6H2,1-2H3",AOKPDATZUBLDMG,UHFFFAOYSA,N,"(4S,8R)-8,9-Dihydroxy-p-menth-1(6)-en-2-one",AOKPDATZUBLDMG-UHFFFAOYSA-N
HMDB39053,204.136159128,C10H20O4,CC1C(O)CC(CC1O)C(C)(O)CO,"InChI=1S/C10H20O4/c1-6-8(12)3-7(4-9(6)13)10(2,14)5-11/h6-9,11-14H,3-5H2,1-2H3",NKYSPMJOKCOMFJ,UHFFFAOYSA,N,"(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol",NKYSPMJOKCOMFJ-UHFFFAOYSA-N
HMDB39054,592.397518768,C34H56O8,CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C4(O)CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C34H56O8/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-15-27(36)34(40)16-21(11-14-33(34,6)25(22)12-13-32(23,24)5)41-31-30(39)29(38)28(37)26(17-35)42-31/h7-8,15,18-21,23-31,35-40H,9-14,16-17H2,1-6H3/b8-7+",OHZYISZWOVEBCJ,BQYQJAHWSA,N,Tuberoside,OHZYISZWOVEBCJ-BQYQJAHWSA-N
HMDB39055,332.18350325,C16H28O7,CC1CCC(CC1OC1OC(CO)C(O)C(O)C1O)C(=C)CO,"InChI=1S/C16H28O7/c1-8-3-4-10(9(2)6-17)5-11(8)22-16-15(21)14(20)13(19)12(7-18)23-16/h8,10-21H,2-7H2,1H3",QWBJNLICFDXNJB,UHFFFAOYSA,N,"(1S,2R,4R)-p-Menth-8-ene-2,10-diol 2-glucoside",QWBJNLICFDXNJB-UHFFFAOYSA-N
HMDB39056,330.167853186,C16H26O7,CC(=C)C1CC=C(COC2OC(CO)C(O)C(O)C2O)C(O)C1,"InChI=1S/C16H26O7/c1-8(2)9-3-4-10(11(18)5-9)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h4,9,11-21H,1,3,5-7H2,2H3",FOPFIQVPEVWICE,UHFFFAOYSA,N,"(4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside",FOPFIQVPEVWICE-UHFFFAOYSA-N
HMDB39057,368.162373878,C22H24O5,COC1=C2OC(=O)C=CC2=C(OC\C=C(/C)CCC=C(C)C)C2=C1OC=C2,"InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+",OQHQALGVQDTJDN,XNTDXEJSSA,N,"9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen",OQHQALGVQDTJDN-XNTDXEJSSA-N
HMDB39058,386.136553058,C21H22O7,CC(C)=CC(=O)OC(COC1=C2OC(=O)C=CC2=CC2=C1OC=C2)C(C)(C)O,"InChI=1S/C21H22O7/c1-12(2)9-17(23)27-15(21(3,4)24)11-26-20-18-14(7-8-25-18)10-13-5-6-16(22)28-19(13)20/h5-10,15,24H,11H2,1-4H3",YFMSPAAEUUQLDI,UHFFFAOYSA,N,(R)-Heraclenol 2'-(3-methyl-2-butenoate),YFMSPAAEUUQLDI-UHFFFAOYSA-N
HMDB39059,388.152203122,C21H24O7,CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC2=C1OC=C2)C(C)(C)O,"InChI=1S/C21H24O7/c1-12(2)9-17(23)27-15(21(3,4)24)11-26-20-18-14(7-8-25-18)10-13-5-6-16(22)28-19(13)20/h5-8,10,12,15,24H,9,11H2,1-4H3",AEXJMQYVIPHZDJ,UHFFFAOYSA,N,(R)-Heraclenol 2'-(3-methylbutanoate),AEXJMQYVIPHZDJ-UHFFFAOYSA-N
HMDB39060,372.193674006,C22H28O5,CCCC1=CC(=O)OC2=C1C(O)=C(CC=C(C)C)C(O)=C2C(=O)C(C)CC,"InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-17(14)20(25)15(10-9-12(3)4)21(26)18(22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3",FSOGIJPGPZWNGO,UHFFFAOYSA,N,(S)-Neomammein,FSOGIJPGPZWNGO-UHFFFAOYSA-N
HMDB39061,630.319268448,C38H46O8,CC(C)=CCC\C(C)=C\COC1=CC=C(\C=C\C(=O)OC(CC\C(C)=C\COC2=CC=C3C=CC(=O)OC3=C2)C(C)(C)O)C(O)=C1,"InChI=1S/C38H46O8/c1-26(2)8-7-9-27(3)20-22-43-31-15-11-29(33(39)24-31)13-18-37(41)46-35(38(5,6)42)17-10-28(4)21-23-44-32-16-12-30-14-19-36(40)45-34(30)25-32/h8,11-16,18-21,24-25,35,39,42H,7,9-10,17,22-23H2,1-6H3/b18-13+,27-20+,28-21+",GHUBHRMKAZWBIH,IPXVTYHMSA,N,(R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin,GHUBHRMKAZWBIH-IPXVTYHMSA-N
HMDB39062,348.1572885,C19H24O6,CC(C)C(=O)CC1=C(OCC(O)C(C)(C)O)C=CC2=C1OC(=O)C=C2,"InChI=1S/C19H24O6/c1-11(2)14(20)9-13-15(24-10-16(21)19(3,4)23)7-5-12-6-8-17(22)25-18(12)13/h5-8,11,16,21,23H,9-10H2,1-4H3",DMSHDRKZHASQRO,UHFFFAOYSA,N,Triphasiol,DMSHDRKZHASQRO-UHFFFAOYSA-N
HMDB39063,314.151809192,C19H22O4,C\C(CCC(O)C(C)=C)=C/COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C19H22O4/c1-13(2)17(20)8-4-14(3)10-11-22-16-7-5-15-6-9-19(21)23-18(15)12-16/h5-7,9-10,12,17,20H,1,4,8,11H2,2-3H3/b14-10+",OWAQHJLCKMIPKB,GXDHUFHOSA,N,"7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one",OWAQHJLCKMIPKB-GXDHUFHOSA-N
HMDB39064,442.23553882,C26H34O6,COC1=C(OCC2C(=C)CCC3C(C)(C)C(O)CCC23C)C(OC)=C2OC(=O)C=CC2=C1,"InChI=1S/C26H34O6/c1-15-7-9-19-25(2,3)20(27)11-12-26(19,4)17(15)14-31-23-18(29-5)13-16-8-10-21(28)32-22(16)24(23)30-6/h8,10,13,17,19-20,27H,1,7,9,11-12,14H2,2-6H3",QISGCNZPAGFKFT,UHFFFAOYSA,N,Pectachol,QISGCNZPAGFKFT-UHFFFAOYSA-N
HMDB39065,382.214409448,C24H30O4,CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC1=CC2=C(C=CC(=O)O2)C=C1,"InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3",MCTDXPDDZLFJHR,UHFFFAOYSA,N,"(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone",MCTDXPDDZLFJHR-UHFFFAOYSA-N
HMDB39066,372.157288493,C21H24O6,C\C(CCC(O)C(C)(C)O)=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2,"InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8-",IXZUPBUEKFXTSD,JYRVWZFOSA,N,"6',7'-Dihydroxybergamottin",IXZUPBUEKFXTSD-JYRVWZFOSA-N
HMDB39067,354.146723814,C21H22O5,C\C(CCC1OC1(C)C)=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2,"InChI=1S/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3/b13-8-",OOKSPQLCQUBEKU,JYRVWZFOSA,N,Epoxybergamottin,OOKSPQLCQUBEKU-JYRVWZFOSA-N
HMDB39068,418.162767808,C22H26O8,COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)CC(C)C)C(C)(C)O)C2=C1C=CO2,"InChI=1S/C22H26O8/c1-12(2)10-17(24)29-15(22(3,4)25)11-28-21-19-14(8-9-27-19)18(26-5)13-6-7-16(23)30-20(13)21/h6-9,12,15,25H,10-11H2,1-5H3",BMKRDVAEOSDNPJ,UHFFFAOYSA,N,(R)-Byakangelicinn 2'-(3-methylbutanoate),BMKRDVAEOSDNPJ-UHFFFAOYSA-N
HMDB39069,496.15807636,C23H28O12,COC1=C2C=CC(=O)OC2=C(OCC(O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)C2=C1C=CO2,"InChI=1S/C23H28O12/c1-23(2,35-22-17(29)16(28)15(27)12(8-24)33-22)13(25)9-32-21-19-11(6-7-31-19)18(30-3)10-4-5-14(26)34-20(10)21/h4-7,12-13,15-17,22,24-25,27-29H,8-9H2,1-3H3",CVNASKZTCXDBBE,UHFFFAOYSA,N,(R)-Byakangelicin 3'-glucoside,CVNASKZTCXDBBE-UHFFFAOYSA-N
HMDB39070,496.15807636,C23H28O12,COC1=C2C=CC(=O)OC2=C(OCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)O)C2=C1C=CO2,"InChI=1S/C23H28O12/c1-23(2,29)13(34-22-17(28)16(27)15(26)12(8-24)33-22)9-32-21-19-11(6-7-31-19)18(30-3)10-4-5-14(25)35-20(10)21/h4-7,12-13,15-17,22,24,26-29H,8-9H2,1-3H3",STMLLOJFOZJAEK,UHFFFAOYSA,N,(R)-Byakangelicin 2'-glucoside,STMLLOJFOZJAEK-UHFFFAOYSA-N
HMDB39071,296.141244506,C19H20O3,CC(=C)C1CC2=CC3=C(OC(=O)C(=C3)C(C)(C)C=C)C=C2O1,"InChI=1S/C19H20O3/c1-6-19(4,5)14-8-12-7-13-9-15(11(2)3)21-16(13)10-17(12)22-18(14)20/h6-8,10,15H,1-2,9H2,3-5H3",VSCRFQYWCSFUIR,UHFFFAOYSA,N,exo-Dehydrochalepin,VSCRFQYWCSFUIR-UHFFFAOYSA-N
HMDB39072,912.508251006,C47H76O17,CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C47H76O17/c1-21(2)15-23-16-45(8,56)38-24-9-10-28-43(6)13-12-29(42(4,5)27(43)11-14-44(28,7)46(24)19-47(38,64-23)58-20-46)61-41-37(63-39-34(54)32(52)30(50)22(3)59-39)36(25(49)18-57-41)62-40-35(55)33(53)31(51)26(17-48)60-40/h15,22-41,48-56H,9-14,16-20H2,1-8H3",WLTXBTSNYDYARD,UHFFFAOYSA,N,Hoduloside III,WLTXBTSNYDYARD-UHFFFAOYSA-N
HMDB39073,928.503165628,C47H76O18,CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1,"InChI=1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)59-20-46)62-41-37(64-40-35(56)33(54)31(52)26(17-49)61-40)36(24(50)18-58-41)63-39-34(55)32(53)30(51)25(16-48)60-39/h14,22-41,48-57H,8-13,15-20H2,1-7H3",DFFIGKBKMNZWMC,UHFFFAOYSA,N,Hoduloside IV,DFFIGKBKMNZWMC-UHFFFAOYSA-N
HMDB39074,942.518815692,C48H78O18,CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C48H78O18/c1-21(2)15-23-16-46(8,58)39-24-9-10-28-44(6)13-12-29(43(4,5)27(44)11-14-45(28,7)47(24)19-48(39,66-23)59-20-47)63-42-38(65-40-35(56)33(54)30(51)22(3)60-40)37(32(53)26(18-50)62-42)64-41-36(57)34(55)31(52)25(17-49)61-41/h15,22-42,49-58H,9-14,16-20H2,1-8H3",KACKPLBDQGQNSX,UHFFFAOYSA,N,Hoduloside V,KACKPLBDQGQNSX-UHFFFAOYSA-N
HMDB39075,958.513730314,C48H78O19,[H][C@@]1(CCC2[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(C)(C)C3CC[C@@]2(C)[C@@]11COC(=O)C1)[C@@H]1O[C@@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C(C)C,"InChI=1S/C48H78O19/c1-21(2)15-23(62-42-38(59)35(56)32(53)25(18-49)63-42)16-47(8)40(67-47)24-9-10-28-45(6)13-12-29(44(4,5)27(45)11-14-46(28,7)48(24)17-30(51)60-20-48)65-43-39(36(57)33(54)26(19-50)64-43)66-41-37(58)34(55)31(52)22(3)61-41/h15,22-29,31-43,49-50,52-59H,9-14,16-20H2,1-8H3/t22-,23-,24+,25+,26+,27?,28?,29-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42+,43-,45-,46+,47-,48-/m0/s1",DPMKYRJUMRDZSZ,FIWJQJQPSA,N,Hoduloside I,DPMKYRJUMRDZSZ-FIWJQJQPSA-N
HMDB39076,958.513730314,C48H78O19,CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC(C4OC4(C)CC(O)C=C(C)C)C54COC(=O)C4)C3(C)C)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C48H78O19/c1-21(2)15-23(51)16-47(8)40(67-47)24-9-10-28-45(6)13-12-29(44(4,5)27(45)11-14-46(28,7)48(24)17-30(52)60-20-48)64-43-39(66-41-36(58)34(56)31(53)22(3)61-41)38(33(55)26(19-50)63-43)65-42-37(59)35(57)32(54)25(18-49)62-42/h15,22-29,31-43,49-51,53-59H,9-14,16-20H2,1-8H3",WGBVZRNBBJVXAT,UHFFFAOYSA,N,Hoduloside II,WGBVZRNBBJVXAT-UHFFFAOYSA-N
HMDB39077,593.538309765,C37H71NO4,CCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)\C=C\CC\C=C(/C)CCCCCCCCC,"InChI=1S/C37H71NO4/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-26-31-36(41)37(42)38-34(32-39)35(40)30-27-23-25-29-33(3)28-24-21-19-11-9-7-5-2/h27,29-30,34-36,39-41H,4-26,28,31-32H2,1-3H3,(H,38,42)/b30-27+,33-29+",SFUUTBQJLKKRBN,AQENTWCGSA,N,Lactariamide B,SFUUTBQJLKKRBN-AQENTWCGSA-N
HMDB39078,408.230059512,C26H32O4,COC(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)OC,"InChI=1S/C26H32O4/c1-21(13-9-15-23(3)17-19-25(27)29-5)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)30-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15+,24-16+",UNTSJRBZLAUZBX,VBBCTIIMSA,N,trans-Methylbixin,UNTSJRBZLAUZBX-VBBCTIIMSA-N
HMDB39079,448.297745146,C30H40O3,C\C(C=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C30H40O3/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-30-28(5,6)20-27(32)21-29(30,7)33-30/h8-19,22,27,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+",TUSQPOXZYYVVMH,STNACPSUSA,N,beta-Citraurin epoxide,TUSQPOXZYYVVMH-STNACPSUSA-N
HMDB39080,526.18389718,C28H30O10,CC12OC(=O)C3(O)CCC4C(C(O)C=C5CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3",NYNVPVLQKXUEJM,UHFFFAOYSA,N,Physalin N,NYNVPVLQKXUEJM-UHFFFAOYSA-N
HMDB39081,528.199547244,C28H32O10,CC1C(=O)OC2CC1(C)C1C(=O)C3(O)OC11C2(C)OC(=O)C1(O)CCC1C3C(O)C=C2CC=CC(=O)C12C,"InChI=1S/C28H32O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,12,14-15,17-19,29,34-35H,6,8-9,11H2,1-4H3",QFAOFAWTSOFSQA,UHFFFAOYSA,N,Physalin O,QFAOFAWTSOFSQA-UHFFFAOYSA-N
HMDB39082,261.122105743,C12H23NOS2,CS(=O)CCCCCCCCCCN=C=S,"InChI=1S/C12H23NOS2/c1-16(14)11-9-7-5-3-2-4-6-8-10-13-12-15/h2-11H2,1H3",BULCNSNGNSSTBP,UHFFFAOYSA,N,Camelinin,BULCNSNGNSSTBP-UHFFFAOYSA-N
HMDB39083,546.137340918,C26H26O13,COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(COC(=O)CC(O)=O)C(O)C(O)C3O)=C(OC)C=C2C1=O,"InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28)",HOWDEROVXAADRI,UHFFFAOYSA,N,6''-O-Malonylwistin,HOWDEROVXAADRI-UHFFFAOYSA-N
HMDB39084,408.178417872,C21H28O8,COC12CC(O)C(C)(CC(OC(=O)C(\C)=C/C)C3C(OC(=O)C3=C)\C=C1\CO)O2,"InChI=1S/C21H28O8/c1-6-11(2)18(24)28-15-8-20(4)16(23)9-21(26-5,29-20)13(10-22)7-14-17(15)12(3)19(25)27-14/h6-7,14-17,22-23H,3,8-10H2,1-2,4-5H3/b11-6-,13-7-",MEJPFLKDAHVOFR,OLIGCOFLSA,N,3-O-Methylniveusin A,MEJPFLKDAHVOFR-OLIGCOFLSA-N
HMDB39085,327.147058165,C19H21NO4,COC1=C(O)C=C2CC3N(C)CCC4=CC(O)=C(OC)C(C2=C1)=C34,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",LZJRNLRASBVRRX,UHFFFAOYSA,N,(S)-Boldine,LZJRNLRASBVRRX-UHFFFAOYSA-N
HMDB39086,462.31339521,C31H42O3,CC(=O)C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C,"InChI=1S/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-31-29(6,7)21-28(33)22-30(31,8)34-31/h9-20,28,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+",HPOMATRGLHSHPK,MBEKKZSISA,N,"Hydroxysintaxanthin 5,6-epoxide",HPOMATRGLHSHPK-MBEKKZSISA-N
HMDB39087,666.179599662,C30H34O17,COC1=C(OC2OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1,"InChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(33)44-10-18-21(34)23(36)24(37)29(47-18)46-15-6-5-13(7-17(15)40-2)16-8-14(32)20-22(35)27(41-3)25(38)28(42-4)26(20)45-16/h5-8,12,18,21,23-24,29,34-39H,9-11H2,1-4H3",PXSCZWOHLUQPMV,UHFFFAOYSA,N,Sudachiin B,PXSCZWOHLUQPMV-UHFFFAOYSA-N
HMDB39088,666.179599662,C30H34O17,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(OC3OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C3O)C(OC)=C2O1,"InChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(34)44-10-18-21(35)23(37)24(38)29(46-18)47-28-26(41-3)22(36)20-15(33)8-16(45-25(20)27(28)42-4)13-5-6-14(32)17(7-13)40-2/h5-8,12,18,21,23-24,29,32,35-39H,9-11H2,1-4H3",CHERSZWRLITUDE,UHFFFAOYSA,N,Sudachiin C,CHERSZWRLITUDE-UHFFFAOYSA-N
HMDB39089,538.453851856,C40H58,CC(C)=CCC\C(C)=C/CC\C(C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C\C=C(/C)\C=C\C=C(\C)CCC=C(C)C,"InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15-,26-16+,31-17+,35-21+,36-22+,37-27-,38-28-,39-29+,40-30-",ATCICVFRSJQYDV,WFFXTUDTSA,N,"(9Z,7'Z,9'Z)-7,8-Dihydrolycopene",ATCICVFRSJQYDV-WFFXTUDTSA-N
HMDB39090,490.344695338,C33H46O3,CC(=O)CC(O)C(\C)=C\C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,"InChI=1S/C33H46O3/c1-24(13-9-10-14-25(2)17-12-18-27(4)32(36)22-29(6)34)15-11-16-26(3)19-20-31-28(5)21-30(35)23-33(31,7)8/h9-20,30,32,35-36H,21-23H2,1-8H3/b10-9+,15-11+,17-12-,20-19+,24-13-,25-14+,26-16-,27-18+",IMAVGDVEEYAALY,MGHOLWCTSA,N,"7',8'-Dihydro-8'-hydroxyreticulataxanthin",IMAVGDVEEYAALY-MGHOLWCTSA-N
HMDB39091,596.386560152,C40H52O4,C/C(/C=C/C=C(/C)\C=C\C(=O)C1(C)CC(=O)CC1(C)C)=C\C=C\C=C(/C)\C=C/C=C(\C)/C=C\C(=O)C1(C)CC(=O)CC1(C)C,"InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20-",YOYRSOYUXNJBMN,SBFVYLSTSA,N,Capsorubinidione,YOYRSOYUXNJBMN-SBFVYLSTSA-N
HMDB39092,526.189770418,C21H34O15,CC1(O)CC(O)C2(O)C=COC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C12,"InChI=1S/C21H34O15/c1-20(30)4-9(23)21(31)2-3-32-19(16(20)21)36-18-15(29)13(27)11(25)8(35-18)6-33-17-14(28)12(26)10(24)7(5-22)34-17/h2-3,7-19,22-31H,4-6H2,1H3",FQUORBSJLORVQE,UHFFFAOYSA,N,Stachyoside A,FQUORBSJLORVQE-UHFFFAOYSA-N
HMDB39093,544.500802048,C40H64,CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27-,38-28-,39-29-,40-30+",YVLPJIGOMTXXLP,COJWMZADSA,N,15-cis-Pytoene,YVLPJIGOMTXXLP-COJWMZADSA-N
HMDB39094,542.485151984,C40H62,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/C=C/C=C(/C)\C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15-,35-21-,36-22-,37-27+,38-28+,39-29+,40-30+",OVSVTCFNLSGAMM,VMQMSJBHSA,N,"(15Z,9'Z)-7,7',8,8',11,12-Hexahydrolycopene",OVSVTCFNLSGAMM-VMQMSJBHSA-N
HMDB39095,130.099379692,C7H14O2,CCCCCOC(C)=O,"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",PGMYKACGEOXYJE,UHFFFAOYSA,N,Pentyl acetate,PGMYKACGEOXYJE-UHFFFAOYSA-N
HMDB39096,292.10929245,C11H20N2O5S,CCCSCC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C11H20N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)",MTFUIXBAXHURMH,UHFFFAOYSA,N,N-gamma-Glutamyl-S-propylcysteine,MTFUIXBAXHURMH-UHFFFAOYSA-N
HMDB39097,230.094294314,C14H14O3,OC1=CC(CCC2=CC=CC=C2O)=CC(O)=C1,"InChI=1S/C14H14O3/c15-12-7-10(8-13(16)9-12)5-6-11-3-1-2-4-14(11)17/h1-4,7-9,15-17H,5-6H2",QNLYZTMYRVYPMN,UHFFFAOYSA,N,Demethylbatatasin IV,QNLYZTMYRVYPMN-UHFFFAOYSA-N
HMDB39098,416.110732238,C21H20O9,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1OC1OC(CO)C(O)C(O)C1O)C2=O,"InChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3",WMMOMSNMMDMSRB,UHFFFAOYSA,N,Chrysophanein,WMMOMSNMMDMSRB-UHFFFAOYSA-N
HMDB39099,740.195249726,C36H36O17,OC[C@H]1O[C@@H](OC2=CC(O)=C3[C@H]([C@H](O)[C@H](OC3=C2)C2=CC=C(O)C(O)=C2)C2=C3O[C@@H]([C@@H](O)CC3=C(O)C=C2O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C36H36O17/c37-11-25-29(46)31(48)32(49)36(52-25)50-14-7-21(43)26-24(8-14)51-34(13-2-4-17(39)20(42)6-13)30(47)28(26)27-22(44)10-18(40)15-9-23(45)33(53-35(15)27)12-1-3-16(38)19(41)5-12/h1-8,10,23,25,28-34,36-49H,9,11H2/t23-,25+,28-,29+,30-,31-,32+,33+,34+,36+/m0/s1",JQKHCULJNVYRGT,XOLODHEFSA,N,Procyanidin B3 7-glucoside,JQKHCULJNVYRGT-XOLODHEFSA-N
HMDB39100,360.1572885,C20H24O6,CC1CCCC(=O)CCC\C=C\C2=CC(OC(C)=O)=CC(O)=C2C(=O)O1,"InChI=1S/C20H24O6/c1-13-7-6-10-16(22)9-5-3-4-8-15-11-17(26-14(2)21)12-18(23)19(15)20(24)25-13/h4,8,11-13,23H,3,5-7,9-10H2,1-2H3/b8-4+",CTKJAUGEWDLMLQ,XBXARRHUSA,N,4-Acetylzearalenone,CTKJAUGEWDLMLQ-XBXARRHUSA-N
HMDB39101,206.13067982,C13H18O2,CC(C)=CCOC1=CC=C(CCO)C=C1,"InChI=1S/C13H18O2/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h3-6,8,14H,7,9-10H2,1-2H3",IBVFUNAQXWFZQB,UHFFFAOYSA,N,Etrogol,IBVFUNAQXWFZQB-UHFFFAOYSA-N
HMDB39102,251.079372531,C12H13NO5,OC(=O)CC(=O)NC(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C12H13NO5/c14-10(7-11(15)16)13-9(12(17)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)",IHAMOIOWKITHQZ,UHFFFAOYSA,N,N-Carboxyacetyl-D-phenylalanine,IHAMOIOWKITHQZ-UHFFFAOYSA-N
HMDB39103,656.122478714,C27H28O19,OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3OC3OC(C(O)C(O)C3O)C(O)=O)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H28O19/c28-5-11-13(33)15(35)18(38)26(42-11)45-23-14(34)12-9(31)4-10(32)21(22(12)43-20(23)6-1-2-7(29)8(30)3-6)44-27-19(39)16(36)17(37)24(46-27)25(40)41/h1-4,11,13,15-19,24,26-33,35-39H,5H2,(H,40,41)",YGWFDAMCHDILHX,UHFFFAOYSA,N,Gossypetin 8-glucuronide 3-glucoside,YGWFDAMCHDILHX-UHFFFAOYSA-N
HMDB39104,166.07825032,C13H10,CC#CC#CC#C\C=C\C=C\C=C,"InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7,9,11H,1H2,2H3/b7-5+,11-9+",AJWRNFIZKHPOHC,JEGFTUTRSA,N,"(3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne",AJWRNFIZKHPOHC-JEGFTUTRSA-N
HMDB39105,306.13682783,C19H18N2O2,CCC12CCC(=O)NC3=C(C=CC=C3)C3=C1N(C=C3)C(=O)C=C2,"InChI=1S/C19H18N2O2/c1-2-19-10-7-16(22)20-15-6-4-3-5-13(15)14-9-12-21(18(14)19)17(23)8-11-19/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,20,22)",KJVWQAWQDQXSLV,UHFFFAOYSA,N,"3-Oxo-14,15-dehydrorhazinilam",KJVWQAWQDQXSLV-UHFFFAOYSA-N
HMDB39106,229.146664235,C15H19NO,CC(C)CNC(=O)\C=C\C=C/CCC#CC#C,"InChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,9-12,14H,7-8,13H2,2-3H3,(H,16,17)/b10-9-,12-11+",PSAKYIJFKFCZFO,XAZJVICWSA,N,"2,4-Undecadiene-8,10-diynoic acid isobutylamide",PSAKYIJFKFCZFO-XAZJVICWSA-N
HMDB39107,258.161979948,C17H22O2,OC(C=C)C#CC#CCC1OC1CCCCCC=C,"InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h3-4,15-18H,1-2,5-7,10,13-14H2",FTXZFRIHQNXZNH,UHFFFAOYSA,N,Ginsenoyne A,FTXZFRIHQNXZNH-UHFFFAOYSA-N
HMDB39108,1134.545818302,C54H86O25,CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C54H86O25/c1-49(2)16-22-21-8-9-27-51(5)12-11-29(50(3,4)26(51)10-13-53(27,7)52(21,6)14-15-54(22,17-28(49)58)48(71)79-46-38(67)35(64)32(61)25(20-57)74-46)75-47-42(78-45-37(66)34(63)31(60)24(19-56)73-45)40(39(68)41(77-47)43(69)70)76-44-36(65)33(62)30(59)23(18-55)72-44/h8,22-42,44-47,55-68H,9-20H2,1-7H3,(H,69,70)",KBENXYXTLIQDHO,UHFFFAOYSA,N,Calendasaponin D,KBENXYXTLIQDHO-UHFFFAOYSA-N
HMDB39109,164.062600256,C13H8,CC#CC#CC#CC#C\C=C\C=C,"InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1H2,2H3/b7-5+",PXQLZFYDZKYLPY,FNORWQNLSA,N,"(Z)-1,3-Tridecadiene-5,7,9,11-tetrayne",PXQLZFYDZKYLPY-FNORWQNLSA-N
HMDB39110,230.090271568,C9H14N2O5,NC(CCN1C(CCC1=O)C(O)=O)C(O)=O,"InChI=1S/C9H14N2O5/c10-5(8(13)14)3-4-11-6(9(15)16)1-2-7(11)12/h5-6H,1-4,10H2,(H,13,14)(H,15,16)",IAWKAVWGVXBNLH,UHFFFAOYSA,N,"(2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid",IAWKAVWGVXBNLH-UHFFFAOYSA-N
HMDB39111,232.11715502,C8H16N4O4,NC(=N)NCCCC(NCC(O)=O)C(O)=O,"InChI=1S/C8H16N4O4/c9-8(10)11-3-1-2-5(7(15)16)12-4-6(13)14/h5,12H,1-4H2,(H,13,14)(H,15,16)(H4,9,10,11)",LJNDQMBPIQGDNB,UHFFFAOYSA,N,L-Acetopine,LJNDQMBPIQGDNB-UHFFFAOYSA-N
HMDB39112,1560.73480086,C75H116O34,CCC(C)C(=O)OC1C(C)OC(OC(=O)C23CCC(C)(CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(COC(C)=O)C5CCC4(C)C2(C)CC3)C(=O)OC)C(OC2OC(C)C(O)C(OC(=O)C(C)CC)C2OC(C)=O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C75H116O34/c1-15-31(3)61(91)103-53-34(6)98-67(59(57(53)107-64-52(88)48(84)46(82)40(29-77)101-64)108-66-58(99-36(8)79)54(44(80)33(5)97-66)104-62(92)32(4)16-2)109-69(94)75-25-23-70(9,68(93)95-14)27-38(75)37-17-18-42-71(10)21-20-43(72(11,30-96-35(7)78)41(71)19-22-74(42,13)73(37,12)24-26-75)102-65-56(50(86)49(85)55(105-65)60(89)90)106-63-51(87)47(83)45(81)39(28-76)100-63/h17,31-34,38-59,63-67,76-77,80-88H,15-16,18-30H2,1-14H3,(H,89,90)",CRFMJTZRXVWVJF,UHFFFAOYSA,N,Saponin S13,CRFMJTZRXVWVJF-UHFFFAOYSA-N
HMDB39113,986.47225943,C48H74O21,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H74O21/c1-43(41(61)63-6)13-15-48(42(62)69-39-32(56)30(54)29(53)24(18-49)65-39)16-14-46(4)21(22(48)17-43)7-8-26-44(2)11-10-27(45(3,20-50)25(44)9-12-47(26,46)5)66-40-34(58)35(33(57)36(68-40)37(59)60)67-38-31(55)28(52)23(51)19-64-38/h7,22-36,38-40,49-58H,8-20H2,1-6H3,(H,59,60)",TUWSRZTXXLFKKO,UHFFFAOYSA,N,"28-Glucosyl-30-methyl-3b,23-dihydroxy-12-oleanene-28,30-dioate 3-[arabinosyl-(1->3)-glucuronide]",TUWSRZTXXLFKKO-UHFFFAOYSA-N
HMDB39114,1134.545818302,C54H86O25,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C54H86O25/c1-49(47(69)71-6)13-15-54(48(70)79-45-39(67)36(64)33(61)27(19-56)74-45)16-14-52(4)23(24(54)17-49)7-8-30-50(2)11-10-31(51(3,22-58)29(50)9-12-53(30,52)5)76-46-42(37(65)34(62)28(20-57)75-46)78-43-40(68)41(25(59)21-72-43)77-44-38(66)35(63)32(60)26(18-55)73-44/h7,24-46,55-68H,8-22H2,1-6H3",AYZUQIMPXXZWAI,UHFFFAOYSA,N,"28-Glucosyl-30-methyl-3b,23-dihydroxy-12-oleanene-28,30-diate 3-[glucosyl-(1->3)-xylosyl-(1->2)-glucoside]",AYZUQIMPXXZWAI-UHFFFAOYSA-N
HMDB39115,1120.566553744,C54H88O24,CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1,"InChI=1S/C54H88O24/c1-49(2)14-15-54(21-58)23(16-49)22-8-9-28-51(5)12-11-30(50(3,4)27(51)10-13-52(28,6)53(22,7)17-29(54)59)74-48-43(78-46-38(67)35(64)32(61)25(19-56)72-46)40(39(68)41(76-48)44(69)70)75-47-42(36(65)33(62)26(20-57)73-47)77-45-37(66)34(63)31(60)24(18-55)71-45/h8,23-43,45-48,55-68H,9-21H2,1-7H3,(H,69,70)",LCUYLFDTSIUOCT,UHFFFAOYSA,N,Camellioside D,LCUYLFDTSIUOCT-UHFFFAOYSA-N
HMDB39116,533.950403311,C16H9N4Na3O9S2,[Na+].[Na+].[Na+].OC1=C(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)C(=NN1C1=CC=C(C=C1)S([O-])(=O)=O)C([O-])=O,"InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;;",YXHBBEQKMVAJOH,GLCFPVLVSA,K,Acid yellow 23,YXHBBEQKMVAJOH-GLCFPVLVSA-K
HMDB39118,789.208947996,C33H41O22,OCC1OC(OC2C(OC3=C([O+]=C4C=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C4=C3)C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O22/c34-6-17-21(41)24(44)27(47)31(52-17)50-15-4-10(37)3-14-11(15)5-16(29(49-14)9-1-12(38)20(40)13(39)2-9)51-33-30(26(46)23(43)19(8-36)54-33)55-32-28(48)25(45)22(42)18(7-35)53-32/h1-5,17-19,21-28,30-36,41-48H,6-8H2,(H3-,37,38,39,40)/p+1",JKIDZSBNUJBLGC,UHFFFAOYSA,O,Delphinidin 3-sophoroside 5-glucoside,JKIDZSBNUJBLGC-UHFFFAOYSA-O
HMDB39119,195.053157781,C9H9NO4,NC(CC1=CC(=O)C(=O)C=C1)C(O)=O,"InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)",AHMIDUVKSGCHAU,UHFFFAOYSA,N,L-Dopaquinone,AHMIDUVKSGCHAU-UHFFFAOYSA-N
HMDB39120,490.220282686,C26H34O9,C\C(\C=C\C=C(\C)C(O)=O)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10-,18-13-,19-14+",ZVGODNZUEWDIPM,VOQICLRJSA,N,alpha-Crocetin glucosyl ester,ZVGODNZUEWDIPM-VOQICLRJSA-N
HMDB39121,652.273106116,C32H44O14,C\C(\C=C\C=C(\C)C(O)=O)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(40)41)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(39)26(37)24(35)22(45-32)16-43-31-27(38)25(36)23(34)21(15-33)44-31/h5-14,21-28,31-39H,15-16H2,1-4H3,(H,40,41)/b6-5+,11-7+,12-8+,17-9+,18-10-,19-13-,20-14+",VULLCGFNYWDRHL,BCMXLCDNSA,N,Crocin 3,VULLCGFNYWDRHL-BCMXLCDNSA-N
HMDB39122,504.23593275,C27H36O9,COC(=O)C(\C)=C/C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C27H36O9/c1-17(12-8-14-19(3)25(32)34-5)10-6-7-11-18(2)13-9-15-20(4)26(33)36-27-24(31)23(30)22(29)21(16-28)35-27/h6-15,21-24,27-31H,16H2,1-5H3/b7-6+,12-8+,13-9+,17-10+,18-11-,19-14-,20-15+",ATQIQIBBBWQWOT,QNFREAFUSA,N,Crocin 4,ATQIQIBBBWQWOT-QNFREAFUSA-N
HMDB39123,326.11140094,C14H18N2O7,OCCCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C14H18N2O7/c17-5-1-2-9(12(18)19)15-4-3-8-6-10(13(20)21)16-11(7-8)14(22)23/h3-4,6,9,11,16-17H,1-2,5,7H2,(H,18,19)(H,20,21)(H,22,23)/b8-3+,15-4+",RVPIQBBRHBAQKG,UMBPYZIISA,N,Humilixanthin,RVPIQBBRHBAQKG-UMBPYZIISA-N
HMDB39124,624.169034976,C28H32O16,COC1=C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C28H32O16/c1-9-18(32)21(35)24(38)27(40-9)44-26-22(36)19(33)16(8-29)43-28(26)42-13-4-3-10(5-14(13)39-2)25-23(37)20(34)17-12(31)6-11(30)7-15(17)41-25/h3-7,9,16,18-19,21-22,24,26-33,35-38H,8H2,1-2H3",KBVVGMZQNYSITN,UHFFFAOYSA,N,Crosatoside A,KBVVGMZQNYSITN-UHFFFAOYSA-N
HMDB39125,257.141578857,C16H19NO2,OC1=CC=C(\C=C/C=C/C(=O)N2CCCCC2)C=C1,"InChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2/b6-2-,7-3+",QDAARMDLSCDBFU,MFDSWNTHSA,N,Coumaperine,QDAARMDLSCDBFU-MFDSWNTHSA-N
HMDB39126,408.139347024,C16H20N6O7,COC(=O)NC(C(CC1=C(C)N=C2N1C(=O)C1=C(N=CN1)N2C)OO)C(=O)OC,"InChI=1S/C16H20N6O7/c1-7-8(5-9(29-26)10(14(24)27-3)20-16(25)28-4)22-13(23)11-12(18-6-17-11)21(2)15(22)19-7/h6,9-10,26H,5H2,1-4H3,(H,17,18)(H,20,25)",FRYWGCQTDZARGT,UHFFFAOYSA,N,Wybutoxine,FRYWGCQTDZARGT-UHFFFAOYSA-N
HMDB39127,261.084851839,C10H15NO7,OCC1OC(OC2C=CNC2=O)C(O)C(O)C1O,"InChI=1S/C10H15NO7/c12-3-5-6(13)7(14)8(15)10(18-5)17-4-1-2-11-9(4)16/h1-2,4-8,10,12-15H,3H2,(H,11,16)",FHWQHJHJIXDREE,UHFFFAOYSA,N,Pisatoside,FHWQHJHJIXDREE-UHFFFAOYSA-N
HMDB39128,596.386560152,C40H52O4,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C,"InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15-,28-16+,29-19+,30-20+",MQZIGYBFDRPAKN,HDQLMXHPSA,N,"(3'RS,3'SR)-Astaxanthin",MQZIGYBFDRPAKN-HDQLMXHPSA-N
HMDB39129,224.177630012,C14H24O2,CCCCC\C=C/C\C=C\CCCC(O)=O,"InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,15,16)/b7-6-,10-9+",HXHZGHRLVRFQDR,IXWMQOLASA,N,Goshuyic acid,HXHZGHRLVRFQDR-IXWMQOLASA-N
HMDB39130,238.193280076,C15H26O2,CCCCC\C=C/C\C=C\CCCC(=O)OC,"InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+",UZFMPMFXZHNDLT,QEFCTBRHSA,N,"Methyl (Z,Z)-5,8-tetradecadienoate",UZFMPMFXZHNDLT-QEFCTBRHSA-N
HMDB39131,252.20893014,C16H28O2,CCCCC\C=C/C\C=C\CCCC(=O)OCC,"InChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3/b9-8-,12-11+",UHRNCGFBWFZBLC,UONSLQGUSA,N,"Ethyl (Z,Z)-5,8-tetradecadienoate",UHRNCGFBWFZBLC-UONSLQGUSA-N
HMDB39132,352.188588628,C19H28O6,CCCC(CC(CCC1=CC(OC)=C(O)C=C1)OC(C)=O)OC(C)=O,"InChI=1S/C19H28O6/c1-5-6-16(24-13(2)20)12-17(25-14(3)21)9-7-15-8-10-18(22)19(11-15)23-4/h8,10-11,16-17,22H,5-7,9,12H2,1-4H3",AUBPDZJRJKZQEX,UHFFFAOYSA,N,"[4]-Gingerdiol 3,5-diacetate",AUBPDZJRJKZQEX-UHFFFAOYSA-N
HMDB39133,330.255880332,C22H34O2,CCC=CCCC=CCC=CCCC=CCCC=CCCC(O)=O,"InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,7-8,10-11,14-15,18-19H,2,5-6,9,12-13,16-17,20-21H2,1H3,(H,23,24)",PIFPCDRPHCQLSJ,UHFFFAOYSA,N,"4,8,12,15,19-Docosapentaenoic acid",PIFPCDRPHCQLSJ-UHFFFAOYSA-N
HMDB39134,294.138657687,C17H23ClO2,OC(C=C)C#CC#CCC(O)C(Cl)CCCCCC=C,"InChI=1S/C17H23ClO2/c1-3-5-6-7-10-13-16(18)17(20)14-11-8-9-12-15(19)4-2/h3-4,15-17,19-20H,1-2,5-7,10,13-14H2",MORPELUWUARUFU,UHFFFAOYSA,N,Ginsenoyne B,MORPELUWUARUFU-UHFFFAOYSA-N
HMDB39135,480.126776232,C22H24O12,COC1=CC(OC2OC(COC(=O)C(O)=O)C(O)C(O)C2O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1,"InChI=1S/C22H24O12/c1-8-4-10-5-11(31-3)6-12(15(10)17(25)14(8)9(2)23)33-22-19(27)18(26)16(24)13(34-22)7-32-21(30)20(28)29/h4-6,13,16,18-19,22,24-27H,7H2,1-3H3,(H,28,29)",DVKQFBNYDILOTK,UHFFFAOYSA,N,Torachrysone 8-(6-oxalylglucoside),DVKQFBNYDILOTK-UHFFFAOYSA-N
HMDB39136,242.07903818,C11H14O6,COC(=O)C1=COC(C)C(C=O)C1CC(O)=O,"InChI=1S/C11H14O6/c1-6-8(4-12)7(3-10(13)14)9(5-17-6)11(15)16-2/h4-8H,3H2,1-2H3,(H,13,14)",MQFAJBBHEYTHKF,UHFFFAOYSA,N,Elenaic acid,MQFAJBBHEYTHKF-UHFFFAOYSA-N
HMDB39137,378.13146768,C19H22O8,COC(=O)C1=COC(C)C(C=O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1,"InChI=1S/C19H22O8/c1-11-14(9-20)13(15(10-27-11)19(24)25-2)8-18(23)26-6-5-12-3-4-16(21)17(22)7-12/h3-4,7,9-11,13-14,21-22H,5-6,8H2,1-2H3",DEBZOPZQKONWTK,UHFFFAOYSA,N,"2-(3,4-Dihydroxyphenylethyl)-6-epi-elenaiate",DEBZOPZQKONWTK-UHFFFAOYSA-N
HMDB39138,570.39203946,C35H54O6,CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CC(=O)C=C(C)C)C(O)=C1C=O,"InChI=1S/C35H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(38)41-26-29-24-33(40-5)31(35(39)32(29)25-36)21-20-28(4)23-30(37)22-27(2)3/h20,22,24-25,39H,6-19,21,23,26H2,1-5H3/b28-20+",OGYBKWUOLWCQDS,VFCFBJKWSA,N,Hericenone C,OGYBKWUOLWCQDS-VFCFBJKWSA-N
HMDB39139,598.423339588,C37H58O6,CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CC(=O)C=C(C)C)C(O)=C1C=O,"InChI=1S/C37H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(40)43-28-31-26-35(42-5)33(37(41)34(31)27-38)23-22-30(4)25-32(39)24-29(2)3/h22,24,26-27,41H,6-21,23,25,28H2,1-5H3/b30-22+",ZTJZNRQMSBGEOJ,JBASAIQMSA,N,Hericenone D,ZTJZNRQMSBGEOJ-JBASAIQMSA-N
HMDB39140,594.39203946,C37H54O6,CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CC(=O)C=C(C)C)C(O)=C1C=O,"InChI=1S/C37H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(40)43-28-31-26-35(42-5)33(37(41)34(31)27-38)23-22-30(4)25-32(39)24-29(2)3/h10-11,13-14,22,24,26-27,41H,6-9,12,15-21,23,25,28H2,1-5H3/b11-10+,14-13+,30-22+",SUAXEWQRYKSWIW,JWUQTBJASA,N,Hericenone E,SUAXEWQRYKSWIW-JWUQTBJASA-N
HMDB39141,230.057908808,C13H10O4,C\C=C\C#CC(=O)C1=CC=C(O1)\C=C/C(O)=O,"InChI=1S/C13H10O4/c1-2-3-4-5-11(14)12-8-6-10(17-12)7-9-13(15)16/h2-3,6-9H,1H3,(H,15,16)/b3-2+,9-7-",DMVOIMZYBMLJHN,XKURDXHJSA,N,Wyeronic acid,DMVOIMZYBMLJHN-XKURDXHJSA-N
HMDB39142,260.104859,C15H16O4,CC\C=C/C#CC(O)C1=CC=C(O1)\C=C/C(=O)OC,"InChI=1S/C15H16O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11,13,16H,3H2,1-2H3/b5-4-,11-9-",RIOSBTRTZGOASU,JXWPTCDWSA,N,Wyerol,RIOSBTRTZGOASU-JXWPTCDWSA-N
HMDB39143,580.39164553,C40H52O3,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)C(=O)C(O)=CC1(C)C,"InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,27,34,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15-,29-16+,30-19+,31-20-",GFRPPAKBDXYCAE,YMDWAWDZSA,N,beta-Doradecin,GFRPPAKBDXYCAE-YMDWAWDZSA-N
HMDB39144,834.215985168,C45H38O16,OC1C(O)C2=C(O)C=C(O)C(C3C(O)C(OC4=C(C5C(O)C(OC6=CC(O)=CC(O)=C56)C5=CC=C(O)C=C5)C(O)=CC(O)=C34)C3=CC=C(O)C=C3)=C2OC1C1=CC=C(O)C=C1,"InChI=1S/C45H38O16/c46-20-7-1-17(2-8-20)41-38(56)35(30-24(50)13-23(49)14-29(30)59-41)31-25(51)15-26(52)32-36(39(57)42(60-44(31)32)18-3-9-21(47)10-4-18)33-27(53)16-28(54)34-37(55)40(58)43(61-45(33)34)19-5-11-22(48)12-6-19/h1-16,35-43,46-58H",PXMVHFKJSCHILV,UHFFFAOYSA,N,"[4,8'':4'',8''''-Terflavan]-3,3'',3'''',4',4''',4'''',4''''',5,5'',5'''',7,7'',7''''-tridecol",PXMVHFKJSCHILV-UHFFFAOYSA-N
HMDB39145,416.219888756,C24H32O6,CCC1C(C)C(C2=C(OC)C(OC)=CC(OC)=C12)C1=C(OC)C=C(OC)C(OC)=C1,"InChI=1S/C24H32O6/c1-9-14-13(2)21(15-10-17(26-4)18(27-5)11-16(15)25-3)23-22(14)19(28-6)12-20(29-7)24(23)30-8/h10-14,21H,9H2,1-8H3",ZPOQFZFDKXZAGL,UHFFFAOYSA,N,Diasarone 2,ZPOQFZFDKXZAGL-UHFFFAOYSA-N
HMDB39146,242.094294314,C15H14O3,COC1=CC2=C(C=CC(=O)O2)C=C1\C=C\C(C)=C,"InChI=1S/C15H14O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4-9H,1H2,2-3H3/b5-4+",GHVNFLHFOPJJNP,SNAWJCMRSA,N,Citrubuntin,GHVNFLHFOPJJNP-SNAWJCMRSA-N
HMDB39147,190.02660868,C10H6O4,OC1=C(C=O)C=C2C=CC(=O)OC2=C1,"InChI=1S/C10H6O4/c11-5-7-3-6-1-2-10(13)14-9(6)4-8(7)12/h1-5,12H",YYVVBACXPUHKFH,UHFFFAOYSA,N,6-Formylumbelliferone,YYVVBACXPUHKFH-UHFFFAOYSA-N
HMDB39148,408.302830524,C28H40O2,CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(=O)C4=CC(=O)CCC4(C)C3CCC12C,"InChI=1S/C28H40O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24H,9-14H2,1-6H3/b8-7+",RMKUNHROPPZENV,BQYQJAHWSA,N,Ganodosterone,RMKUNHROPPZENV-BQYQJAHWSA-N
HMDB39149,170.13067982,C10H18O2,CC(C)CC(=O)CC(C)(O)C=C,"InChI=1S/C10H18O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5,8,12H,1,6-7H2,2-4H3",HPKAJXIDKBSLHJ,UHFFFAOYSA,N,"(+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one",HPKAJXIDKBSLHJ-UHFFFAOYSA-N
HMDB39150,514.308309832,C34H42O4,COC1=CC(=C(O)C2=C1C\C=C(C)/CC\C=C(C)/C2)C1=C(O)C2=C(C\C=C(C)/CC\C=C(C)/C2)C(OC)=C1,"InChI=1S/C34H42O4/c1-21-9-7-11-23(3)17-27-25(15-13-21)31(37-5)19-29(33(27)35)30-20-32(38-6)26-16-14-22(2)10-8-12-24(4)18-28(26)34(30)36/h11-14,19-20,35-36H,7-10,15-18H2,1-6H3/b21-13-,22-14-,23-11-,24-12-",FFUHECWLQYKEQO,SISZSTKXSA,N,Flavidulol C,FFUHECWLQYKEQO-SISZSTKXSA-N
HMDB39151,258.161979948,C17H22O2,COC1=CC=C(O)C2=C1CC(C(C)=C)C(C)(C2)C=C,"InChI=1S/C17H22O2/c1-6-17(4)10-13-12(9-14(17)11(2)3)16(19-5)8-7-15(13)18/h6-8,14,18H,1-2,9-10H2,3-5H3",PETYPULCQDOVJC,UHFFFAOYSA,N,Flavidulol B,PETYPULCQDOVJC-UHFFFAOYSA-N
HMDB39152,258.161979948,C17H22O2,COC1=CC=C(O)C2=C1C\C=C(C)/CC\C=C(C)/C2,"InChI=1S/C17H22O2/c1-12-5-4-6-13(2)11-15-14(8-7-12)17(19-3)10-9-16(15)18/h6-7,9-10,18H,4-5,8,11H2,1-3H3/b12-7-,13-6-",SZKZGGBNARQQFB,HWBZFXJUSA,N,Flavidulol A,SZKZGGBNARQQFB-HWBZFXJUSA-N
HMDB39153,174.10446507,C12H14O,CC1CCC2=C1C=CC(=O)C=C2C,"InChI=1S/C12H14O/c1-8-3-5-12-9(2)7-10(13)4-6-11(8)12/h4,6-8H,3,5H2,1-2H3",MDFATIDEXXOYPV,UHFFFAOYSA,N,"(R)-11,12,13-Trinor-1(5),6,9-guaiatrien-8-one",MDFATIDEXXOYPV-UHFFFAOYSA-N
HMDB39154,602.360739332,C38H50O6,CC(C)=CCC(CC12CC(CC=C(C)C)C(C)(C)C(CC=C(C)C)(C(=O)C(C(=O)C3=CC(O)=C(O)C=C3)=C1O)C2=O)C(C)=C,"InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-40,42H,7,13,15,18,20-21H2,1-6,8-10H3",QDKLRKZQSOQWJQ,UHFFFAOYSA,N,(-)-Guttiferone E,QDKLRKZQSOQWJQ-UHFFFAOYSA-N
HMDB39155,270.23475096,C20H30,CC(C)\C=C\CC(=C)CCCC(C)C1=CC=C(C)C=C1,"InChI=1S/C20H30/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h6,8,12-16,19H,3,7,9-11H2,1-2,4-5H3/b8-6+",KVCMFLFVCBKBMA,SOFGYWHQSA,N,ar-Artemisene,KVCMFLFVCBKBMA-SOFGYWHQSA-N
HMDB39156,250.15689457,C15H22O3,CC1(C)C(O)CCC2(C)C3COC(=O)C3=CCC12,"InChI=1S/C15H22O3/c1-14(2)11-5-4-9-10(8-18-13(9)17)15(11,3)7-6-12(14)16/h4,10-12,16H,5-8H2,1-3H3",BXRHNOVSIVSFJG,UHFFFAOYSA,N,3beta-Hydroxycinnamolide,BXRHNOVSIVSFJG-UHFFFAOYSA-N
HMDB39157,359.100501903,C18H17NO7,OC(=O)C(CC1=CC=C(O)C(O)=C1)NC(=O)\C=C/C1=CC=C(O)C(O)=C1,"InChI=1S/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3-",GPZFXSWMDFBRGS,UTCJRWHESA,N,Clovamide,GPZFXSWMDFBRGS-UTCJRWHESA-N
HMDB39159,180.115029756,C11H16O2,CCCC\C=C1\OC(=O)C(C)=C1C,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3/b10-7+",MTQPZHNZYWAXEH,JXMROGBWSA,N,Bovolide,MTQPZHNZYWAXEH-JXMROGBWSA-N
HMDB39160,240.158625904,C11H20N4O2,NC(CCCCNCCC1=CN=CN1)C(O)=O,"InChI=1S/C11H20N4O2/c12-10(11(16)17)3-1-2-5-13-6-4-9-7-14-8-15-9/h7-8,10,13H,1-6,12H2,(H,14,15)(H,16,17)",LFNFNJYYTXESHV,UHFFFAOYSA,N,L-Gizzerosine,LFNFNJYYTXESHV-UHFFFAOYSA-N
HMDB39161,305.158685483,C12H23N3O6,NC(CCC(O)C\N=C\C(O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C12H23N3O6/c13-9(11(18)19)3-1-7(16)5-15-6-8(17)2-4-10(14)12(20)21/h5,7-10,16-17H,1-4,6,13-14H2,(H,18,19)(H,20,21)/b15-5+",QWGIOMIEVFVREE,PJQLUOCWSA,N,Syndesine,QWGIOMIEVFVREE-PJQLUOCWSA-N
HMDB39163,175.048072403,C6H9NO5,CC(NC(=O)CC(O)=O)C(O)=O,"InChI=1S/C6H9NO5/c1-3(6(11)12)7-4(8)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)",AZKKNWAHCAZDCU,UHFFFAOYSA,N,D-N-(Carboxyacetyl)alanine,AZKKNWAHCAZDCU-UHFFFAOYSA-N
HMDB39164,219.049135035,C6H9N3O6,NC(CNC(=O)NC(=O)C(O)=O)C(O)=O,"InChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)",WLHZKQYVDKRZKW,UHFFFAOYSA,N,L-Oxalylalbizziine,WLHZKQYVDKRZKW-UHFFFAOYSA-N
HMDB39165,922.477344808,C44H74O20,CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C44H74O20/c1-8-44(7,64-43-37(55)33(51)30(48)26(18-45)61-43)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-38(56)39(29(47)25(6)60-41)63-42-36(54)34(52)31(49)27(62-42)20-58-40-35(53)32(50)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12-,22-16+,23-15+",WZQKUYVRQLGXCB,PRMGPUFCSA,N,Capsianoside VI,WZQKUYVRQLGXCB-PRMGPUFCSA-N
HMDB39166,284.068473494,C16H12O5,COC1=CC(O)=CC2=C1C(=O)C1=C(C=C(C)C(O)=C1)C2=O,"InChI=1S/C16H12O5/c1-7-3-9-10(6-12(7)18)16(20)14-11(15(9)19)4-8(17)5-13(14)21-2/h3-6,17-18H,1-2H3",LKVVBLXHWZXDHZ,UHFFFAOYSA,N,Cajaquinone,LKVVBLXHWZXDHZ-UHFFFAOYSA-N
HMDB39167,326.100167552,C15H18O8,OCC1OC(O)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(15(21)22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",ROJVJYZGYUIFEF,ZZXKWVIFSA,N,2-O-p-Coumaroyl-D-glucose,ROJVJYZGYUIFEF-ZZXKWVIFSA-N
HMDB39168,630.122084784,C29H26O16,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O,"InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)44-26-25(39)24(38)20(11-42-27(40)13-7-16(31)22(36)17(32)8-13)43-29(26)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+",NWXQDDDDBQYZGE,ZZXKWVIFSA,N,"2-O-p-Coumaroyl-1,6-digalloyl-beta-D-glucopyranoside",NWXQDDDDBQYZGE-ZZXKWVIFSA-N
HMDB39169,326.100167552,C15H18O8,OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+",GKUSDFCBGXFHIL,ZZXKWVIFSA,N,6-O-p-Coumaroyl-D-glucose,GKUSDFCBGXFHIL-ZZXKWVIFSA-N
HMDB39170,630.122084784,C29H26O16,OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O,"InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)42-11-20-24(38)25(39)26(44-27(40)13-7-16(31)22(36)17(32)8-13)29(43-20)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+",QDSDUIWGMCGLHI,ZZXKWVIFSA,N,"6-O-p-Coumaroyl-1,2-digalloylglucose",QDSDUIWGMCGLHI-ZZXKWVIFSA-N
HMDB39171,336.230059512,C20H32O4,CC(C)CC(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)O)C1=C,"InChI=1S/C20H32O4/c1-10(2)7-18(23)24-17-9-14(11(3)4)20-15(12(17)5)8-16(22)19(20)13(6)21/h10-11,13-15,17,19-21H,5,7-9H2,1-4,6H3",RJNJFKDVPIFVPQ,UHFFFAOYSA,N,9alpha-(3-Methylbutanoyloxy)-4S-hydroxy-10(14)-oplopen-3-one,RJNJFKDVPIFVPQ-UHFFFAOYSA-N
HMDB39172,406.126382302,C20H22O9,OCC1=C(O)C=C(OC2OC(COC(=O)C3=CC=CC=C3)C(O)C(O)C2O)C=C1,"InChI=1S/C20H22O9/c21-9-12-6-7-13(8-14(12)22)28-20-18(25)17(24)16(23)15(29-20)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2",YUHCIIZKQMLHKK,UHFFFAOYSA,N,Flacourtin,YUHCIIZKQMLHKK-UHFFFAOYSA-N
HMDB39173,666.221858406,C24H42O21,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)C2O)C(O)C(O)C1O,"InChI=1S/C24H42O21/c25-1-5-9(29)11(31)15(35)22(40-5)45-20-10(30)6(2-26)41-24(17(20)37)44-19-8(4-28)42-23(16(36)13(19)33)43-18-7(3-27)39-21(38)14(34)12(18)32/h5-38H,1-4H2",DRMABKCEUIQDFK,UHFFFAOYSA,N,3-beta-Glucosylcellotriose,DRMABKCEUIQDFK-UHFFFAOYSA-N
HMDB39174,666.221858406,C24H42O21,OCC1OC(OC2C(O)C(O)C(OC3C(O)C(CO)OC(OC4C(O)C(O)C(O)OC4CO)C3O)OC2CO)C(O)C(O)C1O,"InChI=1S/C24H42O21/c25-1-5-9(29)11(31)15(35)22(40-5)43-19-8(4-28)42-23(16(36)13(19)33)45-20-10(30)6(2-26)41-24(17(20)37)44-18-7(3-27)39-21(38)14(34)12(18)32/h5-38H,1-4H2",AFDQDPIWXNGUOF,UHFFFAOYSA,N,3-beta-Cellobiosylcellobiose,AFDQDPIWXNGUOF-UHFFFAOYSA-N
HMDB39175,754.232029162,C34H42O19,COC1=CC(\C=C/C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(=O)\C=C/C3=CC(OC)=C(O)C(OC)=C3)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-22(14-49-33-30(43)28(41)27(40)21(13-35)50-33)51-34(31(44)29(32)42)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5-,8-6-",BNNDGKUSPRXSPJ,SFECMWDFSA,N,Raphanusol A,BNNDGKUSPRXSPJ-SFECMWDFSA-N
HMDB39176,666.221858406,C24H42O21,OCC1OC(CO)(OCC2(OCC3(OC4OC(CO)C(O)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C1O,"InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2",FLDFNEBHEXLZRX,UHFFFAOYSA,N,Nystose,FLDFNEBHEXLZRX-UHFFFAOYSA-N
HMDB39177,244.058302738,C10H12O7,OCC(O)COC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C10H12O7/c11-3-6(12)4-17-10(16)5-1-7(13)9(15)8(14)2-5/h1-2,6,11-15H,3-4H2",PDEQYQCQYAQJPN,UHFFFAOYSA,N,1-O-Galloylglycerol,PDEQYQCQYAQJPN-UHFFFAOYSA-N
HMDB39178,484.085305348,C20H20O14,OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C20H20O14/c21-5-12-15(28)16(29)17(33-18(30)6-1-8(22)13(26)9(23)2-6)20(32-12)34-19(31)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-29H,5H2",FNEQBVHIJSMWKC,UHFFFAOYSA,N,"1,2-Digalloyl-beta-D-glucopyranose",FNEQBVHIJSMWKC-UHFFFAOYSA-N
HMDB39179,484.085305348,C20H20O14,OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O,"InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2",LYGRISUQIZNHGM,UHFFFAOYSA,N,"1,6-Digalloyl-beta-D-glucopyranose",LYGRISUQIZNHGM-UHFFFAOYSA-N
HMDB39180,498.100955412,C21H22O14,COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C21H22O14/c1-32-21-17(29)16(28)18(35-20(31)8-4-11(24)15(27)12(25)5-8)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3",BTSUIPCMGZHMNV,UHFFFAOYSA,N,"Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside",BTSUIPCMGZHMNV-UHFFFAOYSA-N
HMDB39181,484.085305348,C20H20O14,OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(29)32-5-12-15(27)16(28)17(20(31)33-12)34-19(30)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-28,31H,5H2",BEBILMUEQSTMNU,UHFFFAOYSA,N,"2,6-Digalloylglucose",BEBILMUEQSTMNU-UHFFFAOYSA-N
HMDB39182,636.096263964,C27H24O18,OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC1COC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2",LLENXGNWVNSBQG,UHFFFAOYSA,N,"1,2,6-Trigalloyl-beta-D-glucopyranose",LLENXGNWVNSBQG-UHFFFAOYSA-N
HMDB39183,650.111914028,C28H26O18,COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O,"InChI=1S/C28H26O18/c1-42-28-22(38)24(46-27(41)11-6-16(33)21(37)17(34)7-11)23(45-26(40)10-4-14(31)20(36)15(32)5-10)18(44-28)8-43-25(39)9-2-12(29)19(35)13(30)3-9/h2-7,18,22-24,28-38H,8H2,1H3",DXMITXYQZDSXOV,UHFFFAOYSA,N,"Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside",DXMITXYQZDSXOV-UHFFFAOYSA-N
HMDB39184,650.111914028,C28H26O18,COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C28H26O18/c1-42-28-24(46-27(41)11-6-16(33)21(37)17(34)7-11)23(45-26(40)10-4-14(31)20(36)15(32)5-10)22(38)18(44-28)8-43-25(39)9-2-12(29)19(35)13(30)3-9/h2-7,18,22-24,28-38H,8H2,1H3",ITRFLIAWJCCQTF,UHFFFAOYSA,N,"Methyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside",ITRFLIAWJCCQTF-UHFFFAOYSA-N
HMDB39185,636.096263964,C27H24O18,OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-23(44-25(40)9-3-13(30)19(35)14(31)4-9)21(37)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2",SUAXOYITDJNGFM,UHFFFAOYSA,N,"1,4,6-Trigalloyl-beta-D-glucopyranose",SUAXOYITDJNGFM-UHFFFAOYSA-N
HMDB39186,788.10722258,C34H28O22,OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(47)52-9-22-27(54-31(48)11-3-16(37)24(44)17(38)4-11)28(55-32(49)12-5-18(39)25(45)19(40)6-12)29(34(51)53-22)56-33(50)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-46,51H,9H2",RJINLRBSXMOGAQ,UHFFFAOYSA,N,"2,3,4,6-Tetragalloyl-D-glucopyranose",RJINLRBSXMOGAQ-UHFFFAOYSA-N
HMDB39187,802.122872644,C35H30O22,COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C35H30O22/c1-52-35-30(57-34(51)14-8-21(42)27(47)22(43)9-14)29(56-33(50)13-6-19(40)26(46)20(41)7-13)28(55-32(49)12-4-17(38)25(45)18(39)5-12)23(54-35)10-53-31(48)11-2-15(36)24(44)16(37)3-11/h2-9,23,28-30,35-47H,10H2,1H3",KNGUIYKUPNUFQT,UHFFFAOYSA,N,"Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside",KNGUIYKUPNUFQT-UHFFFAOYSA-N
HMDB39188,788.10722258,C34H28O22,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2",RATQVALKDAUZBW,UHFFFAOYSA,N,"1,2,3,6-Tetragalloyl-beta-D-glucopyranose",RATQVALKDAUZBW-UHFFFAOYSA-N
HMDB39189,462.116211546,C22H22O11,OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)\C=C/C2=CC=CC=C2)C(O)C1O,"InChI=1S/C22H22O11/c23-10-15-18(28)19(29)20(32-16(26)7-6-11-4-2-1-3-5-11)22(31-15)33-21(30)12-8-13(24)17(27)14(25)9-12/h1-9,15,18-20,22-25,27-29H,10H2/b7-6-",FISMJUPMCGKNNX,SREVYHEPSA,N,2-Cinnamoyl-1-galloyl-beta-D-glucopyranose,FISMJUPMCGKNNX-SREVYHEPSA-N
HMDB39190,478.111126168,C22H22O12,OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)\C=C/C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C22H22O12/c23-9-15-18(29)19(30)20(33-16(27)6-3-10-1-4-12(24)5-2-10)22(32-15)34-21(31)11-7-13(25)17(28)14(26)8-11/h1-8,15,18-20,22-26,28-30H,9H2/b6-3-",SWCFDHFIUQJCLJ,UTCJRWHESA,N,2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside,SWCFDHFIUQJCLJ-UTCJRWHESA-N
HMDB39191,788.10722258,C34H28O22,OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-28(54-31(49)11-3-16(37)24(44)17(38)4-11)27(47)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2",YXZYFHXWEOAXLF,UHFFFAOYSA,N,"1,2,4,6-Tetragalloyl-beta-D-glucopyranose",YXZYFHXWEOAXLF-UHFFFAOYSA-N
HMDB39192,614.127170162,C29H26O15,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)\C=C/C2=CC=CC=C2)C1O,"InChI=1S/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)41-12-20-24(37)25(38)26(43-21(34)7-6-13-4-2-1-3-5-13)29(42-20)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6-",AKNNKSLRUQXXCZ,SREVYHEPSA,N,"2-Cinnamoyl-1,6-digalloyl-beta-D-glucopyranose",AKNNKSLRUQXXCZ-SREVYHEPSA-N
HMDB39193,630.122084784,C29H26O16,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)\C=C/C2=CC=C(O)C=C2)C1O,"InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)44-26-25(39)24(38)20(11-42-27(40)13-7-16(31)22(36)17(32)8-13)43-29(26)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3-",NWXQDDDDBQYZGE,UTCJRWHESA,N,"2-O-(4-Hydroxycinnamoyl)-1,6-di-O-galloyl-beta-D-glucopyranose",NWXQDDDDBQYZGE-UTCJRWHESA-N
HMDB39194,614.127170162,C29H26O15,OC1C(COC(=O)\C=C\C2=CC=CC=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O,"InChI=1S/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)43-26-25(38)24(37)20(12-41-21(34)7-6-13-4-2-1-3-5-13)42-29(26)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6+",QAVVLMYACCQGJA,VOTSOKGWSA,N,"6-Cinnamoyl-1,2-digalloylglucose",QAVVLMYACCQGJA-VOTSOKGWSA-N
HMDB39195,462.116211546,C22H22O11,OC1C(COC(=O)\C=C/C2=CC=CC=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C22H22O11/c23-13-8-12(9-14(24)17(13)26)21(30)33-22-20(29)19(28)18(27)15(32-22)10-31-16(25)7-6-11-4-2-1-3-5-11/h1-9,15,18-20,22-24,26-29H,10H2/b7-6-",REBRERQNUHGTMS,SREVYHEPSA,N,6-Cinnamoyl-1-galloylglucose,REBRERQNUHGTMS-SREVYHEPSA-N
HMDB39196,410.354866094,C29H46O,CCC(CCC(C)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,18-21,24-27H,7-9,12-17H2,1-6H3",KEAZWUZFBSXOMV,UHFFFAOYSA,N,"Stigmasta-4,6-dien-3-one",KEAZWUZFBSXOMV-UHFFFAOYSA-N
HMDB39197,1870.158112072,C82H54O52,OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C=C6C(=O)OC5C5OC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC12,"InChI=1S/C82H54O52/c83-24-1-14(2-25(84)45(24)93)71(112)133-81-69-67(129-76(117)18-6-29(88)48(96)57(105)39(18)41-20(78(119)131-69)8-31(90)50(98)59(41)107)65-35(125-81)13-123-73(114)22-11-34(54(102)62(110)44(22)43-17(75(116)127-65)5-28(87)52(100)61(43)109)124-64-23(10-33(92)53(101)63(64)111)80(121)134-82-70-68(130-77(118)19-7-30(89)49(97)58(106)40(19)42-21(79(120)132-70)9-32(91)51(99)60(42)108)66-36(126-82)12-122-72(113)15-3-26(85)46(94)55(103)37(15)38-16(74(115)128-66)4-27(86)47(95)56(38)104/h1-11,35-36,65-70,81-111H,12-13H2",ORFBKJHXSVFIOK,UHFFFAOYSA,N,Heterophylliin D,ORFBKJHXSVFIOK-UHFFFAOYSA-N
HMDB39198,1720.16280352,C75H52O48,OC1OC2COC(=O)C3=CC4=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=C(O)C(O)=C2C(=C1)C(=O)OC1C(COC(=O)C3=C2C(O)=C(O)C(O)=C3)OC(OC(=O)C2=C(O4)C(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C75H52O48/c76-24-1-15(2-25(77)42(24)86)65(101)119-61-59-36-13-111-69(105)20-11-34(49(93)53(97)40(20)39-19(70(106)117-59)8-31(83)46(90)52(39)96)113-58-23(10-33(85)48(92)56(58)100)73(109)123-75-64(122-67(103)17-5-28(80)44(88)29(81)6-17)62(120-66(102)16-3-26(78)43(87)27(79)4-16)60-37(116-75)14-112-68(104)18-7-30(82)45(89)51(95)38(18)41-21(71(107)118-60)12-35(50(94)54(41)98)114-57-22(9-32(84)47(91)55(57)99)72(108)121-63(61)74(110)115-36/h1-12,36-37,59-64,74-100,110H,13-14H2",JMJXWSOEKNACTH,UHFFFAOYSA,N,Camelliin B,JMJXWSOEKNACTH-UHFFFAOYSA-N
HMDB39199,1568.151844904,C68H48O44,OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=CC2=C(C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OC1C(COC2=O)OC(O)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC12,"InChI=1S/C68H48O44/c69-20-1-12(2-21(70)37(20)77)59(92)109-55-53-29(10-102-60(93)13-3-22(71)38(78)45(85)31(13)32-14(62(95)107-53)4-23(72)39(79)46(32)86)105-67(100)57(55)112-66(99)19-8-27(76)43(83)51(91)52(19)104-28-9-18-36(50(90)44(28)84)35-15(5-24(73)42(82)49(35)89)63(96)108-54-30(11-103-61(18)94)106-68(101)58-56(54)110-64(97)16-6-25(74)40(80)47(87)33(16)34-17(65(98)111-58)7-26(75)41(81)48(34)88/h1-9,29-30,53-58,67-91,100-101H,10-11H2",YFWMLIOLXYBPOE,UHFFFAOYSA,N,Camelliin A,YFWMLIOLXYBPOE-UHFFFAOYSA-N
HMDB39200,634.0806139,C27H22O18,OCC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C3=C2C(=O)OC1C3O,"InChI=1S/C27H22O18/c28-4-10(43-25(40)5-1-7(29)15(32)8(30)2-5)17(34)23-24-21(38)14-13(27(42)45-24)12(19(36)22(39)20(14)37)11-6(26(41)44-23)3-9(31)16(33)18(11)35/h1-3,10,17,21,23-24,28-39H,4H2",TXPZOUVETLGUPE,UHFFFAOYSA,N,Punicacortein A,TXPZOUVETLGUPE-UHFFFAOYSA-N
HMDB39201,634.0806139,C27H22O18,OC(COC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C3=C2C(=O)OC1C3O,"InChI=1S/C27H22O18/c28-7-1-5(2-8(29)15(7)32)25(40)43-4-10(31)17(34)23-24-21(38)14-13(27(42)45-24)12(19(36)22(39)20(14)37)11-6(26(41)44-23)3-9(30)16(33)18(11)35/h1-3,10,17,21,23-24,28-39H,4H2",JYPJJOONMBTTAR,UHFFFAOYSA,N,Punicacortein B,JYPJJOONMBTTAR-UHFFFAOYSA-N
HMDB39202,802.086487138,C34H26O23,OC1COC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O,"InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)42)31(50)56-28(29(30(48)49)57-32(51)9-3-14(37)22(43)15(38)4-9)27-18(41)7-54-33(52)10-5-16(39)23(44)25(46)19(10)20-11(34(53)55-27)6-17(40)24(45)26(20)47/h1-6,18,27-29,35-47H,7H2,(H,48,49)",KZEYIYXACMUTRM,UHFFFAOYSA,N,Punigluconin,KZEYIYXACMUTRM-UHFFFAOYSA-N
HMDB39203,1056.144395946,C49H36O27,OC1CC2=C(O)C=C(O)C(C3C4OC(=O)C5=C3C(O)=C(O)C(O)=C5C3=C(C=C(O)C(O)=C3O)C(=O)OC4C3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OCC3O)=C2OC1C1=CC(O)=C(O)C=C1,"InChI=1S/C49H36O27/c50-15-2-1-10(3-17(15)52)41-22(57)4-11-16(51)8-18(53)27(42(11)73-41)30-29-31-28(38(65)40(67)39(29)66)26-14(7-21(56)34(61)37(26)64)48(70)76-45(44(30)75-49(31)71)43-23(58)9-72-46(68)12-5-19(54)32(59)35(62)24(12)25-13(47(69)74-43)6-20(55)33(60)36(25)63/h1-3,5-8,22-23,30,41,43-45,50-67H,4,9H2",VFRPPNXPLILJQH,UHFFFAOYSA,N,Camelliatannin A,VFRPPNXPLILJQH-UHFFFAOYSA-N
HMDB39204,1084.066539556,C48H28O30,OC1C2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C(C=C(O)C(O)=C1O)C(=O)OC2C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C2=C(C=C(O)C(O)=C2O)C(=O)OCC1O,"InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2",FESAEKUFXJFTFG,UHFFFAOYSA,N,Punicacortein D,FESAEKUFXJFTFG-UHFFFAOYSA-N
HMDB39205,1564.120544776,C68H44O44,OC(C=O)C(O)C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C3OC(=O)C4=C(C(O)=C(O)C5=C4C3=C2C(=O)O5)C2=C(O)C(O)=C(O)C=C2C(=O)OCC1O.OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C4C(=O)OC5=C(O)C(O)=C(C6=C5C4=C(OC6=O)C(O)=C3O)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(O)C1O,"InChI=1S/2C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45;35-3-9(38)21(42)28-10(39)4-53-31(49)5-1-7(36)19(40)22(43)11(5)13-17-15-16-18(34(52)56-29(15)26(47)24(13)45)14(25(46)27(48)30(16)55-33(17)51)12-6(32(50)54-28)2-8(37)20(41)23(12)44/h1-2,8,25-27,34-46,51H,3H2;1-3,9-10,21,28,36-48H,4H2",DMYHQWDIOQTMCG,UHFFFAOYSA,N,Punicalin,DMYHQWDIOQTMCG-UHFFFAOYSA-N
HMDB39206,1868.142462008,C82H52O52,OC(C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C=O)C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C3OC(=O)C4=C(C(O)=C(O)C5=C4C3=C2C(=O)O5)C2=C(O)C(O)=C(O)C=C2C(=O)OCC1O.OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C4C(=O)OC5=C(O)C(O)=C(C6=C5C4=C(OC6=O)C(O)=C3O)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/2C41H26O26/c42-9-1-6(2-10(43)22(9)46)36(56)67-35-31(55)32-13(63-41(35)61)5-62-37(57)7-3-11(44)23(47)25(49)14(7)16-20-18-19-21(40(60)66-33(18)29(53)27(16)51)17(28(52)30(54)34(19)65-39(20)59)15-8(38(58)64-32)4-12(45)24(48)26(15)50;42-5-15(64-37(58)7-1-10(43)24(48)11(44)2-7)27(51)34-14(47)6-63-38(59)8-3-12(45)25(49)28(52)16(8)18-22-20-21-23(41(62)67-35(20)32(56)30(18)54)19(31(55)33(57)36(21)66-40(22)61)17-9(39(60)65-34)4-13(46)26(50)29(17)53/h1-4,13,31-32,35,41-55,61H,5H2;1-5,14-15,27,34,43-57H,6H2",ZALLQVMSGQMVKE,UHFFFAOYSA,N,2-O-Galloylpunicalin,ZALLQVMSGQMVKE-UHFFFAOYSA-N
HMDB39207,1206.139704498,C56H38O31,OC1CC2=C(O)C=C(O)C(C3C4OC(=O)C5=C3C(O)=C(O)C(O)=C5C3=C5C(=C(O)C(O)=C3O)C3=C(C=C(O)C(O)=C3O)C(=O)OC3COC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(C=C(O)C(O)=C6O)C(=O)OC3C4OC5=O)=C2OC1C1=CC=C(O)C(O)=C1,"InChI=1S/C56H38O31/c57-15-2-1-10(3-17(15)59)47-22(64)4-11-16(58)8-18(60)27(48(11)84-47)32-31-34-30(43(73)46(76)44(31)74)29-33-28(41(71)45(75)42(29)72)26-14(7-21(63)37(67)40(26)70)53(78)83-23-9-82-52(77)12-5-19(61)35(65)38(68)24(12)25-13(6-20(62)36(66)39(25)69)54(79)85-49(23)51(87-56(33)81)50(32)86-55(34)80/h1-3,5-8,22-23,32,47,49-51,57-76H,4,9H2",DRHVFLXLYQESEQ,UHFFFAOYSA,N,Acutissimin A,DRHVFLXLYQESEQ-UHFFFAOYSA-N
HMDB39208,632.101349342,C28H24O17,OCC(O)C1OC(=O)C2(O)C3=C(OC12O)C=C(O)C1=C3OC(C(C1)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C28H24O17/c29-7-16(35)24-28(41)27(40,26(39)44-24)19-17(45-28)6-11(30)10-5-18(42-25(38)9-3-14(33)21(37)15(34)4-9)22(43-23(10)19)8-1-12(31)20(36)13(32)2-8/h1-4,6,16,18,22,24,29-37,40-41H,5,7H2",DKFWYWRZDCPNOB,UHFFFAOYSA,N,8-C-Ascorbylepigallocatechin 3-gallate,DKFWYWRZDCPNOB-UHFFFAOYSA-N
HMDB39209,230.057908808,C13H10O4,OC(=O)C1=CC=CC=C1C1=C(O)C=C(O)C=C1,"InChI=1S/C13H10O4/c14-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)13(16)17/h1-7,14-15H,(H,16,17)",HEWUQKSXWXCJKK,UHFFFAOYSA,N,"2',4'-Dihydroxy-2-biphenylcarboxylic acid",HEWUQKSXWXCJKK-UHFFFAOYSA-N
HMDB39210,316.058302738,C16H12O7,COC1=C(O)C2=C(C(O)=C1)C(=O)C1=C(O)C(C)=C(O)C=C1C2=O,"InChI=1S/C16H12O7/c1-5-7(17)3-6-10(13(5)19)16(22)11-8(18)4-9(23-2)15(21)12(11)14(6)20/h3-4,17-19,21H,1-2H3",WYAGLAMLQQEAEL,UHFFFAOYSA,N,"1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone",WYAGLAMLQQEAEL-UHFFFAOYSA-N
HMDB39211,478.111126168,C22H22O12,COC1=C(O)C2=C(C(=O)C3=C(O)C(C)=C(O)C=C3C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C22H22O12/c1-6-8(24)3-7-12(15(6)25)19(29)13-9(4-10(32-2)17(27)14(13)16(7)26)33-22-21(31)20(30)18(28)11(5-23)34-22/h3-4,11,18,20-25,27-28,30-31H,5H2,1-2H3",VAYMARBXYQUXAO,UHFFFAOYSA,N,"1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside",VAYMARBXYQUXAO-UHFFFAOYSA-N
HMDB39212,458.375995466,C30H50O3,CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)C5CC[C@@]34C)=C2C1,"InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h21-24,31-33H,8-18H2,1-7H3/t21?,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1",FAQHDLWADGCEMS,PLKKNJIASA,N,Soyasapogenol F,FAQHDLWADGCEMS-PLKKNJIASA-N
HMDB39214,454.205026552,C19H34O12,CCCCOC(=O)CC(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C19H34O12/c1-3-4-5-27-12(21)6-9(2)30-19-17(26)15(24)14(23)11(31-19)8-29-18-16(25)13(22)10(20)7-28-18/h9-11,13-20,22-26H,3-8H2,1-2H3",MLIAQAVEASULJH,UHFFFAOYSA,N,Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside],MLIAQAVEASULJH-UHFFFAOYSA-N
HMDB39215,186.161979948,C11H22O2,CCCCCCOC(=O)C(C)CC,"InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3",YUECNVSODFDKOQ,UHFFFAOYSA,N,Hexyl 2-methylbutanoate,YUECNVSODFDKOQ-UHFFFAOYSA-N
HMDB39216,158.13067982,C9H18O2,CCCCOC(=O)C(C)CC,"InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3",OTKQNSSMCDLVQV,UHFFFAOYSA,N,Butyl 2-methylbutanoate,OTKQNSSMCDLVQV-UHFFFAOYSA-N
HMDB39217,144.115029756,C8H16O2,CCC(C)C(=O)OC(C)C,"InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3",DIRDKDDFAMNBNY,UHFFFAOYSA,N,Isopropyl 2-methylbutanoate,DIRDKDDFAMNBNY-UHFFFAOYSA-N
HMDB39218,172.146329884,C10H20O2,CCC(C)COC(=O)C(C)CC,"InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3",PVYFCGRBIREQLL,UHFFFAOYSA,N,2-Methylbutyl 2-methylbutanoate,PVYFCGRBIREQLL-UHFFFAOYSA-N
HMDB39219,158.13067982,C9H18O2,CCCC(C)OC(=O)CCC,"InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3",DJOCFLQKCMWABC,UHFFFAOYSA,N,1-Methylbutyl butanoate,DJOCFLQKCMWABC-UHFFFAOYSA-N
HMDB39220,198.161979948,C12H22O2,CCCCC\C=C\CCC(=O)OCC,"InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+",AWNIQMQADACLCJ,CMDGGOBGSA,N,Ethyl 4-decenoate,AWNIQMQADACLCJ-CMDGGOBGSA-N
HMDB39221,106.986340545,C2H5NS2,CNC(S)=S,"InChI=1S/C2H5NS2/c1-3-2(4)5/h1H3,(H2,3,4,5)",HYVVJDQGXFXBRZ,UHFFFAOYSA,N,Methylcarbamodithioic acid K salt,HYVVJDQGXFXBRZ-UHFFFAOYSA-N
HMDB39222,190.095356946,C7H14N2O4,NC(CCC(=O)NCCO)C(O)=O,"InChI=1S/C7H14N2O4/c8-5(7(12)13)1-2-6(11)9-3-4-10/h5,10H,1-4,8H2,(H,9,11)(H,12,13)",DGBJQQBLTDLFMF,UHFFFAOYSA,N,N-(gamma-Glutamyl)ethanolamine,DGBJQQBLTDLFMF-UHFFFAOYSA-N
HMDB39225,444.308703762,C24H44O7,CCCCCCCCCCCCCCCCCCOC(=O)C(O)(CC(O)=O)CC(O)=O,"InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-23(29)24(30,19-21(25)26)20-22(27)28/h30H,2-20H2,1H3,(H,25,26)(H,27,28)",QILIJDWPBISFBO,UHFFFAOYSA,N,2-Stearyl citrate,QILIJDWPBISFBO-UHFFFAOYSA-N
HMDB39226,362.245709576,C22H34O4,CCCCCC\C=C\CCCCCCCC1=CC(O)=CC(O)=C1C(O)=O,"InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(23)17-20(24)21(18)22(25)26/h7-8,16-17,23-24H,2-6,9-15H2,1H3,(H,25,26)/b8-7+",ACSAQPSTIMIXGH,BQYQJAHWSA,N,"(Z)-2,4-Dihydroxy-6-(8-pentadecenyl)benzoic acid",ACSAQPSTIMIXGH-BQYQJAHWSA-N
HMDB39227,162.071450382,C7H14O2S,CC(=O)OCCC(C)(C)S,"InChI=1S/C7H14O2S/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3",HEZWKNVLHZGPOE,UHFFFAOYSA,N,3-Mercapto-3-methyl-1-butyl acetate,HEZWKNVLHZGPOE-UHFFFAOYSA-N
HMDB39228,132.101111026,C4H12N4O,NCCCONC(N)=N,"InChI=1S/C4H12N4O/c5-2-1-3-9-8-4(6)7/h1-3,5H2,(H4,6,7,8)",JGMONYLSKFKAJN,UHFFFAOYSA,N,(3-Aminopropoxy)guanidine,JGMONYLSKFKAJN-UHFFFAOYSA-N
HMDB39229,257.101170605,C10H15N3O5,NC(=O)CCC(NC(=O)C1CCC(=O)N1)C(O)=O,"InChI=1S/C10H15N3O5/c11-7(14)3-1-6(10(17)18)13-9(16)5-2-4-8(15)12-5/h5-6H,1-4H2,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)",ILAITOFTZJRIFJ,UHFFFAOYSA,N,Pyro-L-glutaminyl-L-glutamine,ILAITOFTZJRIFJ-UHFFFAOYSA-N
HMDB39230,538.205026552,C26H34O12,COC1=C(OC(CO)C(O)C2=CC(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C=CC(\C=C/CO)=C1,"InChI=1S/C26H34O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h3-8,10-11,20-33H,9,12-13H2,1-2H3/b4-3-",WHKMPWQXESJAPI,ARJAWSKDSA,N,Citrusin A,WHKMPWQXESJAPI-ARJAWSKDSA-N
HMDB39231,568.215591238,C27H36O13,COC1=CC(\C=C/CO)=CC(OC)=C1OC(CO)C(O)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C27H36O13/c1-35-17-11-15(6-7-16(17)39-27-25(34)24(33)23(32)21(13-30)40-27)22(31)20(12-29)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h4-7,9-11,20-25,27-34H,8,12-13H2,1-3H3/b5-4-",XMGKCJUCYBLMBY,PLNGDYQASA,N,Citrusin B,XMGKCJUCYBLMBY-PLNGDYQASA-N
HMDB39232,612.54814617,C41H72O3,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C41H72O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-38-44-41(43)37-34-39-32-35-40(42)36-33-39/h32-37,42H,2-31,38H2,1H3/b37-34+",ZREKAWAROKJCRC,NFSLGCCLSA,N,Randilongin,ZREKAWAROKJCRC-NFSLGCCLSA-N
HMDB39233,462.173726424,C20H30O12,CC1OC(OC2C(O)C(CO)OC(OCCC3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O,"InChI=1S/C20H30O12/c1-8-13(24)15(26)16(27)20(30-8)32-18-14(25)12(7-21)31-19(17(18)28)29-5-4-9-2-3-10(22)11(23)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3",DORPKYRPJIIARM,UHFFFAOYSA,N,Verbasoside,DORPKYRPJIIARM-UHFFFAOYSA-N
HMDB39234,372.142032366,C17H24O9,COC(=O)CCC1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C17H24O9/c1-23-11-7-9(4-6-13(19)24-2)3-5-10(11)25-17-16(22)15(21)14(20)12(8-18)26-17/h3,5,7,12,14-18,20-22H,4,6,8H2,1-2H3",GPJDWVYEUMEYKE,UHFFFAOYSA,N,Citrusin E,GPJDWVYEUMEYKE-UHFFFAOYSA-N
HMDB39235,520.179205732,C22H32O14,COC(=O)CCC1=CC(O)=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C=C1,"InChI=1S/C22H32O14/c1-32-14(25)5-3-9-2-4-11(10(24)6-9)34-22-20(31)18(29)16(27)13(36-22)8-33-21-19(30)17(28)15(26)12(7-23)35-21/h2,4,6,12-13,15-24,26-31H,3,5,7-8H2,1H3",YLQXQJFWCRRNGA,UHFFFAOYSA,N,Citrusin F,YLQXQJFWCRRNGA-UHFFFAOYSA-N
HMDB39237,342.116211546,C12H22O11,CO[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c1-21-11-8(19)5(16)9(20)12(23-11)22-10-6(17)3(14)2(13)4(15)7(10)18/h2-20H,1H3/t2-,3-,4+,5-,6-,7-,8-,9+,10-,11-,12+/m0/s1",KZSXJTYOPKQNLT,BCKMTSFNSA,N,Glucinol,KZSXJTYOPKQNLT-BCKMTSFNSA-N
HMDB39238,225.101445377,C12H11N5,C(NC1=C2N=CNC2=NC=N1)C1=CC=CC=C1,"InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)",NWBJYWHLCVSVIJ,UHFFFAOYSA,N,Cytokinin B,NWBJYWHLCVSVIJ-UHFFFAOYSA-N
HMDB39239,362.136553058,C19H22O7,CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)C(O)CC5C3(OC1=O)C=CC2O,"InChI=1S/C19H22O7/c1-8-6-17-7-18(8,25)11(21)5-9(17)19-4-3-10(20)16(2,15(24)26-19)13(19)12(17)14(22)23/h3-4,9-13,20-21,25H,1,5-7H2,2H3,(H,22,23)",DBCALXGMWSCZIP,UHFFFAOYSA,N,Gibberellin A87,DBCALXGMWSCZIP-UHFFFAOYSA-N
HMDB39240,330.146723814,C19H22O5,CC12C3C(C(O)=O)C45CC(CC=C4C3(CCC1O)OC2=O)C(=C)C5,"InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h4,10,12-14,20H,1,3,5-8H2,2H3,(H,21,22)",BSBICXIQCTXPMN,UHFFFAOYSA,N,Gibberellin A88,BSBICXIQCTXPMN-UHFFFAOYSA-N
HMDB39241,282.146723814,C15H22O5,C\C(\C=C\C1(O)C(C)=CC(O)CC1(C)CO)=C/C(O)=O,"InChI=1S/C15H22O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,12,16-17,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+",GBHKILLDPRFXNU,UMCKCUICSA,N,Pisumic acid,GBHKILLDPRFXNU-UMCKCUICSA-N
HMDB39242,720.481248396,C41H68O10,CC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC34C)C12,"InChI=1S/C41H68O10/c1-21(2)22-11-14-38(5)17-18-40(7)23(29(22)38)9-10-27-39(6)15-13-28(37(3,4)26(39)12-16-41(27,40)8)50-36-33(47)31(45)34(25(19-42)49-36)51-35-32(46)30(44)24(43)20-48-35/h22-36,42-47H,1,9-20H2,2-8H3",VTDZILAWJJXPEL,UHFFFAOYSA,N,Lupeoside,VTDZILAWJJXPEL-UHFFFAOYSA-N
HMDB39243,424.370516158,C30H48O,CC(CCC=C(C)C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C,"InChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25H,9,11,13-19H2,1-8H3",QQWIMVRGPKFDGM,UHFFFAOYSA,N,Butyrospermone,QQWIMVRGPKFDGM-UHFFFAOYSA-N
HMDB39244,936.086881068,C41H28O26,OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC12,"InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2",SWRFKGRMQVLMKA,UHFFFAOYSA,N,1-O-Galloylpedunculagin,SWRFKGRMQVLMKA-UHFFFAOYSA-N
HMDB39245,784.075922452,C34H24O22,OC1C2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C(O)C(O)=C(O)C=C1C(=O)OC2C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C(=C2)C(=O)OCC1O,"InChI=1S/C34H24O22/c35-9-2-6-12(21(42)19(9)40)5-1-8(18(39)26(47)17(5)38)31(49)53-4-11(37)28(54-32(6)50)30-29-25(46)16-15(34(52)55-29)14(23(44)27(48)24(16)45)13-7(33(51)56-30)3-10(36)20(41)22(13)43/h1-3,11,25,28-30,35-48H,4H2",ULOZLJUAARUDHM,UHFFFAOYSA,N,Castanin,ULOZLJUAARUDHM-UHFFFAOYSA-N
HMDB39246,532.121690854,C25H24O13,OC1C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C=C2)C2OC4=CC5=C(OCO5)C=C4C2CO3)C(O)C1O,"InChI=1S/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)",ZHXRWFOBROFZAC,UHFFFAOYSA,N,6'-Malonyltrifolirhizin,ZHXRWFOBROFZAC-UHFFFAOYSA-N
HMDB39247,534.100955412,C24H22O14,OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=C(O)C=C(O)C=C3)=C2)C1O,"InChI=1S/C24H22O14/c25-9-1-2-11(13(26)3-9)12-7-35-15-5-10(4-14(27)19(15)20(12)31)37-24-23(34)22(33)21(32)16(38-24)8-36-18(30)6-17(28)29/h1-5,7,16,21-27,32-34H,6,8H2,(H,28,29)",QFCNXJBZARIFSY,UHFFFAOYSA,N,2'-Hydroxygenistein 7-(6''-malonylglucoside),QFCNXJBZARIFSY-UHFFFAOYSA-N
HMDB39248,374.172938564,C21H26O6,COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(O)C=C1,"InChI=1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3",ULZFTGWWPHYLGI,UHFFFAOYSA,N,"2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol",ULZFTGWWPHYLGI-UHFFFAOYSA-N
HMDB39249,476.18350325,C28H28O7,COC1=CC(CC=C)=CC(OC)=C1OC(C)C(OC(=O)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1,"InChI=1S/C28H28O7/c1-5-9-19-14-24(30-3)27(25(15-19)31-4)34-18(2)26(35-28(29)20-10-7-6-8-11-20)21-12-13-22-23(16-21)33-17-32-22/h5-8,10-16,18,26H,1,9,17H2,2-4H3",RJWAIUBGAOQMRT,UHFFFAOYSA,N,"1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate",RJWAIUBGAOQMRT-UHFFFAOYSA-N
HMDB39250,822.403785936,C42H62O16,CC1(CCC2(C)CCC3(C)C(C=CC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(C(O)C(O)C6O)C(O)=O)C(O)=O)C(C)(CO)C5CCC34C)=C2C1)C(O)=O,"InChI=1S/C42H62O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7-8,21-31,34-35,43-48H,9-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)",IPBGQSWRSQPGCF,UHFFFAOYSA,N,Licoricesaponin K2,IPBGQSWRSQPGCF-UHFFFAOYSA-N
HMDB39251,278.188194698,C17H26O3,CCCCCCCC(O)C(O)CC#CC#CC(=O)CC,"InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h16-17,19-20H,3-7,10,13-14H2,1-2H3",VNLATJUGAZKQEH,UHFFFAOYSA,N,Panaxacol,VNLATJUGAZKQEH-UHFFFAOYSA-N
HMDB39252,144.137496532,C6H16N4,CNC(=N)NCCCCN,"InChI=1S/C6H16N4/c1-9-6(8)10-5-3-2-4-7/h2-5,7H2,1H3,(H3,8,9,10)",CEZLGLLDSAKBNX,UHFFFAOYSA,N,N6-Methylagmatine,CEZLGLLDSAKBNX-UHFFFAOYSA-N
HMDB39253,446.178811802,C20H30O11,CC1OC(OC2C(O)C(O)C(CO)OC2OCCC2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C20H30O11/c1-9-13(23)15(25)17(27)19(29-9)31-18-16(26)14(24)12(8-21)30-20(18)28-7-6-10-2-4-11(22)5-3-10/h2-5,9,12-27H,6-8H2,1H3",BMZAMCOQJLZXCY,UHFFFAOYSA,N,Crosatoside B,BMZAMCOQJLZXCY-UHFFFAOYSA-N
HMDB39254,1870.158112072,C82H54O52,OC1C2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C(O)C(O)=C(O)C=C1C(=O)OC2C1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(C=C(OC3=C(O)C(O)=C(O)C=C3C(=O)OC3OC4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(C=C(O)C(O)=C5O)C(=O)OC4C4OC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(C=C(O)C(O)=C5O)C(=O)OC34)C(O)=C2O)C(=O)OCC1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C82H54O52/c83-22-1-13(2-23(84)44(22)92)72(113)126-32-11-123-74(115)20-10-31(52(100)59(107)39(20)38-16(5-26(87)49(97)57(38)105)75(116)128-66(32)69-68-62(110)43-42(81(122)130-68)41(60(108)63(111)61(43)109)40-19(78(119)131-69)8-29(90)50(98)58(40)106)125-65-21(9-30(91)51(99)64(65)112)80(121)134-82-71-70(132-77(118)17-6-27(88)47(95)55(103)36(17)37-18(79(120)133-71)7-28(89)48(96)56(37)104)67-33(127-82)12-124-73(114)14-3-24(85)45(93)53(101)34(14)35-15(76(117)129-67)4-25(86)46(94)54(35)102/h1-10,32-33,62,66-71,82-112H,11-12H2",WUZNCOSZTLIRDF,UHFFFAOYSA,N,Heterophylliin C,WUZNCOSZTLIRDF-UHFFFAOYSA-N
HMDB39255,1872.173762136,C82H56O52,OC1C2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C(O)C(O)=C(O)C=C1C(=O)OC2C1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(C=C(OC3=C(O)C(O)=C(O)C=C3C(=O)OC3OC4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(C=C(O)C(O)=C5O)C(=O)OC4C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C3OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=C2O)C(=O)OCC1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C82H56O52/c83-24-1-15(2-25(84)46(24)94)72(113)126-36-13-123-76(117)22-12-35(54(102)59(107)41(22)40-20(9-32(91)51(99)57(40)105)77(118)128-66(36)69-68-62(110)45-44(81(122)130-68)43(60(108)63(111)61(45)109)42-21(79(120)132-69)10-33(92)52(100)58(42)106)125-65-23(11-34(93)53(101)64(65)112)80(121)134-82-71(133-74(115)17-5-28(87)48(96)29(88)6-17)70(131-73(114)16-3-26(85)47(95)27(86)4-16)67-37(127-82)14-124-75(116)18-7-30(89)49(97)55(103)38(18)39-19(78(119)129-67)8-31(90)50(98)56(39)104/h1-12,36-37,62,66-71,82-112H,13-14H2",BHQDJISOPBGAEN,UHFFFAOYSA,N,Heterophylliin B,BHQDJISOPBGAEN-UHFFFAOYSA-N
HMDB39256,1568.151844904,C68H48O44,OC1C(O)C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)OCC2OC1OC(=O)C1=CC(OC2=C(O)C(O)=C(O)C3=C2C(=O)OC2C(COC(=O)C4=C3C(O)=C(O)C(O)=C4)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C3OC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(O)C(O)=C(O)C=C4C(=O)OC23)=C(O)C(O)=C1,"InChI=1S/C68H48O44/c69-19-1-12(2-20(70)37(19)77)59(94)112-68-58-57(109-64(99)17-8-25(75)41(81)46(86)32(17)33-18(65(100)110-58)9-26(76)42(82)47(33)87)55-29(106-68)11-103-62(97)15-6-23(73)43(83)48(88)34(15)35-36(66(101)108-55)56(51(91)50(90)49(35)89)104-27-4-13(3-21(71)38(27)78)60(95)111-67-53(93)52(92)54-28(105-67)10-102-61(96)14-5-22(72)39(79)44(84)30(14)31-16(63(98)107-54)7-24(74)40(80)45(31)85/h1-9,28-29,52-55,57-58,67-93H,10-11H2",GMFLQAPBSLUKQB,UHFFFAOYSA,N,Sanguiin H10,GMFLQAPBSLUKQB-UHFFFAOYSA-N
HMDB39257,1568.151844904,C68H48O44,OCC1OC(OC(=O)C2=CC(OC3=C4C(=C(O)C(O)=C3O)C3=C(C=C(O)C(O)=C3O)C(=O)OCC3OC(C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(C=C(O)C(O)=C6O)C(=O)OC5C3OC4=O)C(=O)OC3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C1O,"InChI=1S/C68H48O44/c69-10-28-44(85)55-59(111-65(99)18-9-26(77)42(83)48(89)33(18)30-15(62(96)108-55)6-23(74)39(80)45(30)86)68(106-28)112-60(94)12-1-19(70)38(79)27(2-12)104-54-36-35(50(91)51(92)52(54)93)34-14(5-22(73)43(84)49(34)90)61(95)102-11-29-53(107-66(36)100)56-57(58(105-29)67(101)103-13-3-20(71)37(78)21(72)4-13)110-64(98)17-8-25(76)41(82)47(88)32(17)31-16(63(97)109-56)7-24(75)40(81)46(31)87/h1-9,28-29,44,53,55-59,68-93H,10-11H2",QGTWCCDWNSBQNG,UHFFFAOYSA,N,Sanguiin H3,QGTWCCDWNSBQNG-UHFFFAOYSA-N
HMDB39258,1266.145577736,C54H42O36,OCC1OC(OC(=O)C2=CC(OC3=C4C(=C(O)C(O)=C3O)C3=C(C=C(O)C(O)=C3O)C(=O)OCC3OC(OC(=O)C5=CC(O)=C(O)C(O)=C5)C(O)C(O)C3OC4=O)=C(O)C(O)=C2)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C1O,"InChI=1S/C54H42O36/c55-8-22-34(67)45-46(88-51(80)14-7-20(61)32(65)36(69)25(14)24-13(50(79)87-45)6-19(60)31(64)35(24)68)54(84-22)90-48(77)11-3-17(58)30(63)21(4-11)83-44-28-27(38(71)39(72)40(44)73)26-12(5-18(59)33(66)37(26)70)49(78)82-9-23-43(86-52(28)81)41(74)42(75)53(85-23)89-47(76)10-1-15(56)29(62)16(57)2-10/h1-7,22-23,34,41-43,45-46,53-75H,8-9H2",WUALHADVSUQRQJ,UHFFFAOYSA,N,Sanguiin H8,WUALHADVSUQRQJ-UHFFFAOYSA-N
HMDB39259,1266.145577736,C54H42O36,OC1C(O)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OCC2OC1OC(=O)C1=CC(OC2=C3C(=C(O)C(O)=C2O)C2=C(C=C(O)C(O)=C2O)C(=O)OCC2OC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C2OC3=O)=C(O)C(O)=C1,"InChI=1S/C54H42O36/c55-15-1-10(2-16(56)29(15)61)47(76)89-53-43(75)41(73)45-23(86-53)9-83-50(79)13-6-19(59)33(65)36(68)26(13)27-28(52(81)88-45)46(39(71)38(70)37(27)69)84-21-4-11(3-17(57)30(21)62)48(77)90-54-42(74)40(72)44-22(85-54)8-82-49(78)12-5-18(58)31(63)34(66)24(12)25-14(51(80)87-44)7-20(60)32(64)35(25)67/h1-7,22-23,40-45,53-75H,8-9H2",XGOZWETVQMZWLO,UHFFFAOYSA,N,Sanguiin H9,XGOZWETVQMZWLO-UHFFFAOYSA-N
HMDB39260,952.08179569,C41H28O27,OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C(OC4=CC(=CC(O)=C4O)C(O)=O)=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12,"InChI=1S/C41H28O27/c42-11-1-7(36(56)57)2-15(22(11)46)64-33-21-20(29(53)30(54)31(33)55)19-8(3-12(43)25(49)28(19)52)37(58)63-6-16-32(66-40(21)61)34-35(41(62)65-16)68-39(60)10-5-14(45)24(48)27(51)18(10)17-9(38(59)67-34)4-13(44)23(47)26(17)50/h1-5,16,32,34-35,41-55,62H,6H2,(H,56,57)",KGFYOSJVKULAKR,UHFFFAOYSA,N,Sanguiin H11,KGFYOSJVKULAKR-UHFFFAOYSA-N
HMDB39261,802.086487138,C34H26O23,OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C(OC4=CC(=CC(O)=C4O)C(O)=O)=C(O)C(O)=C3O)C(=O)OC2C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C34H26O23/c35-10-2-8(3-11(36)19(10)39)31(49)57-29-26(46)27-15(55-34(29)52)6-53-32(50)9-5-13(38)21(41)22(42)16(9)17-18(33(51)56-27)28(25(45)24(44)23(17)43)54-14-4-7(30(47)48)1-12(37)20(14)40/h1-5,15,26-27,29,34-46,52H,6H2,(H,47,48)",HXYRQUDFZHPNHQ,UHFFFAOYSA,N,Sanguiin H7,HXYRQUDFZHPNHQ-UHFFFAOYSA-N
HMDB39262,1104.092754306,C48H32O31,OC(=O)C1=CC(O)=C(O)C(OC2=C3C(=C(O)C(O)=C2O)C2=C(C=C(O)C(O)=C2O)C(=O)OCC2OC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C4OC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(C=C(O)C(O)=C5O)C(=O)OC4C2OC3=O)=C1,"InChI=1S/C48H32O31/c49-14-2-10(3-15(50)27(14)55)43(68)79-48-41-40(77-45(70)12-6-18(53)29(57)32(60)22(12)23-13(46(71)78-41)7-19(54)30(58)33(23)61)38-21(75-48)8-73-44(69)11-5-17(52)31(59)34(62)24(11)25-26(47(72)76-38)39(37(65)36(64)35(25)63)74-20-4-9(42(66)67)1-16(51)28(20)56/h1-7,21,38,40-41,48-65H,8H2,(H,66,67)",VQIUUNUVZNWSSC,UHFFFAOYSA,N,Sanguiin H2,VQIUUNUVZNWSSC-UHFFFAOYSA-N
HMDB39263,786.091572516,C34H26O22,OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC1C2OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)54-28-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(6-17(40)24(44)26(20)46)33(51)55-29(28)27(47)34(53-18)56-31(49)9-3-14(37)22(42)15(38)4-9/h1-6,18,27-29,34-47H,7H2",NALYUPYCMXELRP,UHFFFAOYSA,N,Tercatain,NALYUPYCMXELRP-UHFFFAOYSA-N
HMDB39264,786.091572516,C34H26O22,OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)55-29-27(47)34(56-31(49)9-3-14(37)22(42)15(38)4-9)53-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(33(51)54-28(18)29)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-47H,7H2",NLDMNSXOCDLTTB,UHFFFAOYSA,N,Heterophylliin A,NLDMNSXOCDLTTB-UHFFFAOYSA-N
HMDB39265,938.102531132,C41H30O26,OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2",JCGHAEBIBSEQAD,UHFFFAOYSA,N,Tellimagrandin II,JCGHAEBIBSEQAD-UHFFFAOYSA-N
HMDB39266,638.111914028,C27H26O18,OCC1OC(OC2=C(O)C=C(COC(=O)C3=CC(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(O)=O)=C3)C=C2O)C(O)C(O)C1O,"InChI=1S/C27H26O18/c28-6-16-19(35)20(36)22(38)27(44-16)45-24-13(31)1-8(2-14(24)32)7-42-26(41)9-3-11(29)17(33)15(4-9)43-23-10(25(39)40)5-12(30)18(34)21(23)37/h1-5,16,19-20,22,27-38H,6-7H2,(H,39,40)",FQQGWAGNNCHGAN,UHFFFAOYSA,N,Isochesnatin,FQQGWAGNNCHGAN-UHFFFAOYSA-N
HMDB39267,638.111914028,C27H26O18,OCC1OC(OC2=C(O)C=C(COC(=O)C3=CC(O)=C(O)C(O)=C3OC3=CC(=CC(O)=C3O)C(O)=O)C=C2O)C(O)C(O)C1O,"InChI=1S/C27H26O18/c28-6-16-19(35)20(36)22(38)27(44-16)45-24-13(31)1-8(2-14(24)32)7-42-26(41)10-5-12(30)18(34)21(37)23(10)43-15-4-9(25(39)40)3-11(29)17(15)33/h1-5,16,19-20,22,27-38H,6-7H2,(H,39,40)",XNGJTVXWNURNOS,UHFFFAOYSA,N,Chesnatin,XNGJTVXWNURNOS-UHFFFAOYSA-N
HMDB39268,908.091966446,C40H28O25,OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1OC(=O)C1CC(=O)C2=C1C1=C(C=C(O)C(O)=C1O)C(=O)O2,"InChI=1S/C40H28O25/c41-13-1-8(2-14(42)24(13)47)35(55)65-40-31(54)34(64-39(59)12-6-18(46)32-23(12)22-11(37(57)62-32)5-17(45)27(50)30(22)53)33-19(61-40)7-60-36(56)9-3-15(43)25(48)28(51)20(9)21-10(38(58)63-33)4-16(44)26(49)29(21)52/h1-5,12,19,31,33-34,40-45,47-54H,6-7H2",AQPVGKAQOQGNBT,UHFFFAOYSA,N,Heterophylliin E,AQPVGKAQOQGNBT-UHFFFAOYSA-N
HMDB39269,1224.150269184,C56H40O32,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C3OC(=O)C4=C1C(=O)C(O)(O)C1(O)OC5=C(O)C(O)=CC(=C5C41)C(=O)OC3C1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OCC1OC(=O)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O,"InChI=1S/C56H40O32/c57-18-2-1-12(3-20(18)59)43-27(66)6-14-19(58)10-21(60)32(44(14)84-43)33-34-35-36-31-17(9-26(65)40(70)46(31)88-56(36,81)55(79,80)49(34)73)53(77)87-48(47(33)86-54(35)78)45-28(83-50(74)13-4-22(61)37(67)23(62)5-13)11-82-51(75)15-7-24(63)38(68)41(71)29(15)30-16(52(76)85-45)8-25(64)39(69)42(30)72/h1-5,7-10,27-28,33,36,43,45,47-48,57-72,79-81H,6,11H2",DOMGXWDOTMOBEH,UHFFFAOYSA,N,Guavin A,DOMGXWDOTMOBEH-UHFFFAOYSA-N
HMDB39270,1114.149875254,C51H38O29,CC(=O)OC1COC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C(=O)OC1C1OC(=O)C2=C3C4C5=C(C(C1OC5=O)C1=C(O)C=C(O)C5=C1OC(C(O)C5)C1=CC(O)=C(O)C=C1)C(=O)C(O)(O)C4(O)OC3=C(O)C(O)=C2,"InChI=1S/C51H38O29/c1-11(52)75-25-10-74-46(67)14-6-21(57)34(61)37(64)26(14)27-15(7-22(58)35(62)38(27)65)47(68)77-41(25)44-43-30(29-20(56)9-18(54)13-5-24(60)39(76-40(13)29)12-2-3-17(53)19(55)4-12)31-32(49(70)78-43)33-28-16(48(69)79-44)8-23(59)36(63)42(28)80-51(33,73)50(71,72)45(31)66/h2-4,6-9,24-25,30,33,39,41,43-44,53-65,71-73H,5,10H2,1H3",NCAYOGILTZXFSF,UHFFFAOYSA,N,Guavin D,NCAYOGILTZXFSF-UHFFFAOYSA-N
HMDB39271,784.075922452,C34H24O22,OC1C2OC(=O)C3=CC(O)=C(O)C4=C3C3C(=CC(=O)C(O)(O4)C3(O)O)C(=O)OC1C1OC2COC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C1=O,"InChI=1S/C34H24O22/c35-10-1-6-15(23(43)20(10)40)16-7(2-11(36)21(41)24(16)44)30(46)52-5-13-26-25(45)29(28(53-13)19(6)39)55-32(48)9-4-14(38)34(51)33(49,50)18(9)17-8(31(47)54-26)3-12(37)22(42)27(17)56-34/h1-4,13,18,25-26,28-29,35-37,40-45,49-51H,5H2",BEAQEKRAXFQCBO,UHFFFAOYSA,N,Granatin A,BEAQEKRAXFQCBO-UHFFFAOYSA-N
HMDB39272,786.091572516,C34H26O22,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC12,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)52-7-18-25(45)28-29(34(53-18)56-31(49)9-3-14(37)22(42)15(38)4-9)55-33(51)11-6-17(40)24(44)27(47)20(11)19-10(32(50)54-28)5-16(39)23(43)26(19)46/h1-6,18,25,28-29,34-47H,7H2",WKPZPHSGAOCQCK,UHFFFAOYSA,N,Sanguiin H1,WKPZPHSGAOCQCK-UHFFFAOYSA-N
HMDB39273,404.147117744,C21H24O8,COC1=CC(\C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2)=CC(O)=C1,"InChI=1S/C21H24O8/c1-27-16-9-13(8-14(23)10-16)3-2-12-4-6-15(7-5-12)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2-",IIISUZGWBIPYEJ,IHWYPQMZSA,N,Pinostilbenoside,IIISUZGWBIPYEJ-IHWYPQMZSA-N
HMDB39274,202.135765198,C14H18O,CC(C)=CCOC1=CC=C(CC=C)C=C1,"InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4,6-10H,1,5,11H2,2-3H3",UCSGFTQHJDOIND,UHFFFAOYSA,N,Dictagymnin,UCSGFTQHJDOIND-UHFFFAOYSA-N
HMDB39275,292.167459256,C17H24O4,CCCCCC(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,20H,3-7,9,12H2,1-2H3",KMNVXQHNIWUUSE,UHFFFAOYSA,N,[6]-Gingerdione,KMNVXQHNIWUUSE-UHFFFAOYSA-N
HMDB39276,320.198759384,C19H28O4,CCCCCCCC(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C19H28O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,22H,3-9,11,14H2,1-2H3",QDSRAFNZQKMHPZ,UHFFFAOYSA,N,[8]-Gingerdione,QDSRAFNZQKMHPZ-UHFFFAOYSA-N
HMDB39277,318.18310932,C19H26O4,CCCCCCCC(=O)CC(=O)\C=C/C1=CC(OC)=C(O)C=C1,"InChI=1S/C19H26O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h9-13,22H,3-8,14H2,1-2H3/b11-9-",QOJHXMDTWFYFRL,LUAWRHEFSA,N,[8]-Dehydrogingerdione,QOJHXMDTWFYFRL-LUAWRHEFSA-N
HMDB39278,376.26135964,C23H36O4,CCCCCCCCCCCC(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,26H,3-13,15,18H2,1-2H3",SRGFWRMSKPVJOD,UHFFFAOYSA,N,[12]-Gingerdione,SRGFWRMSKPVJOD-UHFFFAOYSA-N
HMDB39279,956.49808025,C48H76O19,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-34(57)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)32(55)36(37(66-41)38(59)60)65-39-33(56)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)",VQIUANBMNYRFDG,UHFFFAOYSA,N,Tuberoside A (Ullucus tuberosus),VQIUANBMNYRFDG-UHFFFAOYSA-N
HMDB39280,1060.545424372,C52H84O22,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C52H84O22/c1-47(2)13-15-52(46(66)74-43-39(65)36(62)34(60)27(18-53)69-43)16-14-50(5)23(24(52)17-47)7-8-30-48(3)11-10-31(49(4,22-55)29(48)9-12-51(30,50)6)71-44-40(33(59)26(57)21-68-44)73-45-41(37(63)35(61)28(19-54)70-45)72-42-38(64)32(58)25(56)20-67-42/h7,24-45,53-65H,8-22H2,1-6H3",OKEVWDLMMSVZPI,UHFFFAOYSA,N,Medicoside I,OKEVWDLMMSVZPI-UHFFFAOYSA-N
HMDB39281,494.127170162,C19H26O15,OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C19H26O15/c20-3-9-12(26)14(28)15(32-17(30)6-1-7(23)11(25)8(24)2-6)18(31-9)34-19(5-22)16(29)13(27)10(4-21)33-19/h1-2,9-10,12-16,18,20-29H,3-5H2",LNFBBISCIPAUAE,UHFFFAOYSA,N,2-O-Galloylsucrose,LNFBBISCIPAUAE-UHFFFAOYSA-N
HMDB39282,494.127170162,C19H26O15,OCC1OC(CO)(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C19H26O15/c20-3-9-13(26)16(29)19(5-21,33-9)34-18-15(28)14(27)12(25)10(32-18)4-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2",SNSUBUCSOCHKOG,UHFFFAOYSA,N,6-O-Galloylsucrose,SNSUBUCSOCHKOG-UHFFFAOYSA-N
HMDB39283,494.127170162,C19H26O15,OCC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(16(29)13(26)10(4-21)33-19)5-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2",XPQHIVBLCNQLEF,UHFFFAOYSA,N,1'-O-Galloylsucrose,XPQHIVBLCNQLEF-UHFFFAOYSA-N
HMDB39284,494.127170162,C19H26O15,OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C19H26O15/c20-3-9-12(26)13(27)14(28)18(31-9)34-19(5-22)16(29)15(10(4-21)33-19)32-17(30)6-1-7(23)11(25)8(24)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2",VQNOKSMTUKSLMO,UHFFFAOYSA,N,4'-O-Galloylsucrose,VQNOKSMTUKSLMO-UHFFFAOYSA-N
HMDB39285,494.127170162,C19H26O15,OCC1OC(OC2(CO)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(5-21)16(29)13(26)10(33-19)4-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2",WIFUDQQHRFOMBC,UHFFFAOYSA,N,6'-O-Galloylsucrose,WIFUDQQHRFOMBC-UHFFFAOYSA-N
HMDB39286,332.074346732,C13H16O10,OC1COC(O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C13H16O10/c14-6-1-5(2-7(15)9(6)17)12(20)22-4-13(21)11(19)10(18)8(16)3-23-13/h1-2,8,10-11,14-19,21H,3-4H2",WMYZHISPRKXOOF,UHFFFAOYSA,N,1-O-Galloylfructose,WMYZHISPRKXOOF-UHFFFAOYSA-N
HMDB39287,344.074346732,C14H16O10,OC1CC(O)(CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O)C(O)=O,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)",LDPLFHGGZNSKDS,UHFFFAOYSA,N,Theogallin,LDPLFHGGZNSKDS-UHFFFAOYSA-N
HMDB39288,736.709732188,C51H92O2,CCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(CC)C(C)C,"InChI=1S/C51H92O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h31,40-42,44-48H,8-30,32-39H2,1-7H3",KESLVCKDQOQELG,UHFFFAOYSA,N,beta-Sitosterol behenate,KESLVCKDQOQELG-UHFFFAOYSA-N
HMDB39289,1410.666721296,C66H106O32,CC1OC(OC2C(O)C(OC3OC(C)C(O)C(O)C3O)C(OC3C(O)C(O)C(OC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(CCC6(C)CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3(C)C)C(O)=O)OC2CO)C(O)C(O)C1O,"InChI=1S/C66H106O32/c1-24-34(70)38(74)44(80)54(87-24)93-48-30(23-69)91-57(52(47(48)83)96-55-45(81)39(75)35(71)25(2)88-55)97-51-43(79)42(78)49(53(84)85)94-59(51)92-33-13-14-64(7)31(61(33,3)4)12-15-66(9)32(64)11-10-26-27-20-63(6,17-16-62(27,5)18-19-65(26,66)8)60(86)98-58-50(41(77)37(73)29(22-68)90-58)95-56-46(82)40(76)36(72)28(21-67)89-56/h10,24-25,27-52,54-59,67-83H,11-23H2,1-9H3,(H,84,85)",IGTFYSDYGNVEHK,UHFFFAOYSA,N,29-[Glucosyl-(1->2)-glucosyl]katonic acid 3-[rhamnosyl-(1->2)[rhamnosyl-(1->4)]-glucosyl-(1->2)-glucuronide],IGTFYSDYGNVEHK-UHFFFAOYSA-N
HMDB39290,826.435086064,C42H66O16,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O,"InChI=1S/C42H66O16/c1-37(2)11-13-42(36(53)54)14-12-39(4)19(20(42)15-37)7-8-24-38(3)16-21(45)32(41(6,35(51)52)25(38)9-10-40(24,39)5)58-34-30(50)28(48)31(23(18-44)56-34)57-33-29(49)27(47)26(46)22(17-43)55-33/h7,20-34,43-50H,8-18H2,1-6H3,(H,51,52)(H,53,54)",AFLNGLSTOJPKJJ,UHFFFAOYSA,N,Medicagenic acid beta-maltoside,AFLNGLSTOJPKJJ-UHFFFAOYSA-N
HMDB39291,942.482430186,C47H74O19,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC4(C)C2(C)CC3)C(O)=O)C(O)C(O)C1O,"InChI=1S/C47H74O19/c1-20-28(51)31(54)33(56)37(62-20)64-35-29(52)24(50)19-61-39(35)66-41(60)47-14-12-42(2,3)16-22(47)21-8-9-26-43(4)17-23(49)36(65-38-34(57)32(55)30(53)25(18-48)63-38)46(7,40(58)59)27(43)10-11-45(26,6)44(21,5)13-15-47/h8,20,22-39,48-57H,9-19H2,1-7H3,(H,58,59)",HLNPLLKKVMGOKC,UHFFFAOYSA,N,Medicoside H,HLNPLLKKVMGOKC-UHFFFAOYSA-N
HMDB39292,1088.503953488,C52H80O24,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C5CCC4(C)C2(C)CC3)C(O)=O)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C52H80O24/c1-20-36(72-41-33(61)28(56)24(54)18-69-41)32(60)35(63)42(71-20)74-38-29(57)25(55)19-70-44(38)76-46(68)52-14-12-47(2,3)16-22(52)21-8-9-26-48(4)17-23(53)39(75-43-34(62)30(58)31(59)37(73-43)40(64)65)51(7,45(66)67)27(48)10-11-50(26,6)49(21,5)13-15-52/h8,20,22-39,41-44,53-63H,9-19H2,1-7H3,(H,64,65)(H,66,67)",RPWKGRUCXRZSSG,UHFFFAOYSA,N,Medicagenic acid 3-O-b-D-glucuronide 28-O-[b-D-xylosyl-(1->4)-a-L-rhamnosyl-(1->2)-a-L-arabinosyl] ester,RPWKGRUCXRZSSG-UHFFFAOYSA-N
HMDB39293,1074.52468893,C52H82O23,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC4(C)C2(C)CC3)C(O)=O)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C52H82O23/c1-21-38(72-41-35(62)30(57)25(55)19-68-41)34(61)37(64)42(70-21)73-39-31(58)26(56)20-69-44(39)75-46(67)52-14-12-47(2,3)16-23(52)22-8-9-28-48(4)17-24(54)40(74-43-36(63)33(60)32(59)27(18-53)71-43)51(7,45(65)66)29(48)10-11-50(28,6)49(22,5)13-15-52/h8,21,23-44,53-64H,9-20H2,1-7H3,(H,65,66)",VHMKOKUNAPLSBJ,UHFFFAOYSA,N,Medicoside J,VHMKOKUNAPLSBJ-UHFFFAOYSA-N
HMDB39294,1296.598641732,C60H96O30,CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(CO)OC3OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C(O)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C60H96O30/c1-22-32(66)37(71)41(75)48(81-22)86-44-36(70)29(21-64)85-52(46(44)88-49-42(76)38(72)33(67)26(18-61)82-49)87-45-40(74)35(69)28(20-63)84-51(45)89-47-25(65)17-56(4)30-9-8-23-24-16-55(2,3)12-14-60(24,54(80)90-50-43(77)39(73)34(68)27(19-62)83-50)15-13-57(23,5)58(30,6)11-10-31(56)59(47,7)53(78)79/h8,22,24-52,61-77H,9-21H2,1-7H3,(H,78,79)",RXOLZUNGPCPEOV,UHFFFAOYSA,N,Medicoside L,RXOLZUNGPCPEOV-UHFFFAOYSA-N
HMDB39295,912.4718655,C46H72O18,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(O)C(C)(C5CCC4(C)C2(C)CC3)C(O)=O)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C46H72O18/c1-20-33(62-36-31(53)28(50)24(48)18-59-36)30(52)32(54)37(61-20)63-34-29(51)25(49)19-60-38(34)64-40(58)46-14-12-41(2,3)16-22(46)21-8-9-26-42(4)17-23(47)35(55)45(7,39(56)57)27(42)10-11-44(26,6)43(21,5)13-15-46/h8,20,22-38,47-55H,9-19H2,1-7H3,(H,56,57)",NVYDZIYMAONXJL,UHFFFAOYSA,N,Medicagenic acid 28-O-[b-D-xylosyl-(1->4)-a-L-rhamnosyl-(1->2)-a-L-arabinosyl] ester,NVYDZIYMAONXJL-UHFFFAOYSA-N
HMDB39296,1236.57751236,C58H92O28,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC4(C)C2(C)CC3)C(O)=O)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C58H92O28/c1-22-42(82-46-39(71)32(64)26(62)20-77-46)38(70)41(73)47(79-22)83-43-33(65)27(63)21-78-49(43)86-52(76)58-14-12-53(2,3)16-24(58)23-8-9-30-54(4)17-25(61)45(57(7,51(74)75)31(54)10-11-56(30,6)55(23,5)13-15-58)85-50-44(37(69)35(67)29(19-60)81-50)84-48-40(72)36(68)34(66)28(18-59)80-48/h8,22,24-50,59-73H,9-21H2,1-7H3,(H,74,75)",GKRMBTQHEPCVKU,UHFFFAOYSA,N,Medicagenic acid 3-O-[b-D-glucosyl-(1->2)-b-D-glucoside] 28-O-[b-D-xylosyl-(1->4)-a-L-rhamnosyl-(1->2)-a-L-arabinosyl] ester,GKRMBTQHEPCVKU-UHFFFAOYSA-N
HMDB39297,610.095870034,C29H22O15,OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)C(O)=C1,"InChI=1S/C29H22O15/c30-13-7-15(31)14-9-23(44-29(41)12-4-18(34)25(38)19(35)5-12)27(42-21(14)8-13)10-1-20(36)26(39)22(6-10)43-28(40)11-2-16(32)24(37)17(33)3-11/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1",LGGSDHMXURUIDJ,YIXXDRMTSA,N,"(-)-Epigallocatechin 3,3'-di-gallate",LGGSDHMXURUIDJ-YIXXDRMTSA-N
HMDB39298,610.095870034,C29H22O15,OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=C2)C(O)=C1,"InChI=1S/C29H22O15/c30-13-7-15(31)14-9-23(43-28(40)11-3-16(32)24(38)17(33)4-11)26(42-22(14)8-13)10-1-20(36)27(21(37)2-10)44-29(41)12-5-18(34)25(39)19(35)6-12/h1-8,23,26,30-39H,9H2/t23-,26-/m1/s1",LPOACLRSLAMIRP,ZEQKJWHPSA,N,"(-)-Epigallocatechin 3,4'-di-gallate",LPOACLRSLAMIRP-ZEQKJWHPSA-N
HMDB39299,882.164343528,C44H34O20,OC1=CC2=C([C@@H]([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC=C(O)C(O)=C2)C2=C(O)C3=C(O[C@@H]([C@@H](C3)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)C=C2O)C(O)=C1,"InChI=1S/C44H34O20/c45-19-11-25(50)34-32(12-19)62-41(16-2-4-22(47)24(49)6-16)42(64-44(60)18-9-29(54)39(58)30(55)10-18)36(34)35-26(51)14-31-20(37(35)56)13-33(40(61-31)15-1-3-21(46)23(48)5-15)63-43(59)17-7-27(52)38(57)28(53)8-17/h1-12,14,33,36,40-42,45-58H,13H2/t33-,36-,40-,41-,42-/m1/s1",LFBGVECYPPCVDS,QNPRKUGLSA,N,"3,3'-Di-O-galloylprocyanidin B5",LFBGVECYPPCVDS-QNPRKUGLSA-N
HMDB39300,914.154172772,C44H34O22,OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C2=C(OC(C(C2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(O)=C(O)C(O)=C2)C=C1O,"InChI=1S/C44H34O22/c45-17-9-19(46)32-30(10-17)64-41(14-3-23(50)37(58)24(51)4-14)42(66-44(62)16-7-27(54)39(60)28(55)8-16)34(32)33-20(47)12-29-18(35(33)56)11-31(40(63-29)13-1-21(48)36(57)22(49)2-13)65-43(61)15-5-25(52)38(59)26(53)6-15/h1-10,12,31,34,40-42,45-60H,11H2",LXQFRGHXODSYNA,UHFFFAOYSA,N,"3,3'-Di-O-galloylprodelphinidin B5",LXQFRGHXODSYNA-UHFFFAOYSA-N
HMDB39301,882.164343528,C44H34O20,OC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C2=C(OC(C(C2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(O)=C(O)C(O)=C2)C=C1O,"InChI=1S/C44H34O20/c45-19-3-1-15(2-4-19)41-42(64-44(60)18-9-28(53)39(58)29(54)10-18)35(33-22(47)11-20(46)12-31(33)62-41)34-23(48)14-30-21(36(34)55)13-32(40(61-30)16-5-24(49)37(56)25(50)6-16)63-43(59)17-7-26(51)38(57)27(52)8-17/h1-12,14,32,35,40-42,45-58H,13H2",BZQGRVQEWHQYDX,UHFFFAOYSA,N,Epiafzelechin 3-O-gallate-(4beta->6)-epigallocatechin 3-O-gallate,BZQGRVQEWHQYDX-UHFFFAOYSA-N
HMDB39302,898.15925815,C44H34O21,OC1=CC2=C([C@@H]([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC=C(O)C(O)=C2)C2=C(O)C3=C(O[C@@H]([C@@H](C3)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC(O)=C(O)C(O)=C3)C=C2O)C(O)=C1,"InChI=1S/C44H34O21/c45-18-10-22(48)33-31(11-18)63-41(14-1-2-20(46)21(47)3-14)42(65-44(61)17-8-28(54)39(59)29(55)9-17)35(33)34-23(49)13-30-19(36(34)56)12-32(40(62-30)15-4-24(50)37(57)25(51)5-15)64-43(60)16-6-26(52)38(58)27(53)7-16/h1-11,13,32,35,40-42,45-59H,12H2/t32-,35-,40-,41-,42-/m1/s1",MCKUYLHAXMDCFO,XREIVNNOSA,N,Epicatechin 3-O-gallate-(4beta->6)-epigallocatechin 3-O-gallate,MCKUYLHAXMDCFO-XREIVNNOSA-N
HMDB39303,746.148299534,C37H30O17,OC1C(OC2=CC(O)=CC(O)=C2C1C1=C2OC(C(CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(12-1-2-17(39)19(41)3-12)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)13-4-22(44)31(48)23(45)5-13/h1-9,11,27,30,33-35,38-50H,10H2",BUOLDWJIICQRBU,UHFFFAOYSA,N,Epicatechin-(4beta->8)-epigallocatechin 3-O-gallate,BUOLDWJIICQRBU-UHFFFAOYSA-N
HMDB39304,898.15925815,C44H34O21,OC1=CC2=C([C@@H]([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2O[C@@H]([C@@H](C3)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1,"InChI=1S/C44H34O21/c45-18-10-23(49)33-31(11-18)62-40(14-1-2-20(46)22(48)3-14)42(65-44(61)17-8-29(55)38(59)30(56)9-17)35(33)34-24(50)13-21(47)19-12-32(63-43(60)16-6-27(53)37(58)28(54)7-16)39(64-41(19)34)15-4-25(51)36(57)26(52)5-15/h1-11,13,32,35,39-40,42,45-59H,12H2/t32-,35-,39-,40-,42-/m1/s1",FUNWNVWJOMCWIL,WZPNJOEPSA,N,Epicatechin 3-O-gallate-(4beta->8)-epigallocatechin 3-O-gallate,FUNWNVWJOMCWIL-WZPNJOEPSA-N
HMDB39305,1421.748941023,C66H103N17O16S,CCC(C)[C@H](N)C1=NCC(S1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)C(C)CC,"InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-72-32-48(100-66)63(97)80-43(26-34(4)5)59(93)75-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)76-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-73-39)77-60(94)44(27-38-18-13-12-14-19-38)81-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)74-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,73)(H,71,89)(H,74,90)(H,75,93)(H,76,98)(H,77,94)(H,78,96)(H,79,95)(H,80,97)(H,81,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35?,36?,37?,40-,41+,42+,43-,44+,45-,46-,47+,48?,52-,53-,54-/m0/s1",MNJKVJAYSVAQLU,YOJCIBLDSA,N,Bacitracin A,MNJKVJAYSVAQLU-YOJCIBLDSA-N
HMDB39306,574.095870034,C26H22O15,OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(C1O)C1=C(O)C2=C(OC3=C(C=C(O)C(O)=C3)C2=O)C=C1O,"InChI=1S/C26H22O15/c27-9-3-8-14(4-10(9)28)40-15-5-11(29)17(22(35)18(15)19(8)32)25-24(37)23(36)21(34)16(41-25)6-39-26(38)7-1-12(30)20(33)13(31)2-7/h1-5,16,21,23-25,27-31,33-37H,6H2",PIAVWKNSDNBFSQ,UHFFFAOYSA,N,Mangiferin 6'-gallate,PIAVWKNSDNBFSQ-UHFFFAOYSA-N
HMDB39307,440.095476104,C19H20O12,OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=CC(O)=C2)C1O,"InChI=1S/C19H20O12/c20-8-3-9(21)5-10(4-8)30-19-17(27)16(26)15(25)13(31-19)6-29-18(28)7-1-11(22)14(24)12(23)2-7/h1-5,13,15-17,19-27H,6H2",WVHDGXKUZIDTIN,UHFFFAOYSA,N,"3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)",WVHDGXKUZIDTIN-UHFFFAOYSA-N
HMDB39308,594.15847029,C27H30O15,COC1=CC(O)=C2C(=O)C(OC3OCC(O)C(O)C3O)=C(OC2=C1)C1=CC(OC2OC(C)C(O)C(O)C2O)=C(O)C=C1,"InChI=1S/C27H30O15/c1-9-18(31)21(34)23(36)27(39-9)41-15-5-10(3-4-12(15)28)24-25(42-26-22(35)19(32)14(30)8-38-26)20(33)17-13(29)6-11(37-2)7-16(17)40-24/h3-7,9,14,18-19,21-23,26-32,34-36H,8H2,1-2H3",LFJUOZMJVFOFOV,UHFFFAOYSA,N,Peumoside,LFJUOZMJVFOFOV-UHFFFAOYSA-N
HMDB39309,338.151809192,C21H22O4,CC(C)=CCC\C(C)=C\COC1=C2OC(=O)C=CC2=CC2=C1OC=C2,"InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+",SOVNCTNQAWWYAQ,OQLLNIDSSA,N,"9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one",SOVNCTNQAWWYAQ-OQLLNIDSSA-N
HMDB39310,822.403785936,C42H62O16,CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C1O)C(O)=O,"InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-27(48)28(26(47)30(58-35)33(51)52)56-34-25(46)23(44)24(45)29(57-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)",KEIFOIQHFNUSQE,UHFFFAOYSA,N,Uralsaponin B,KEIFOIQHFNUSQE-UHFFFAOYSA-N
HMDB39311,468.090390726,C20H20O13,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(C=O)C=C2O)C(O)C1O,"InChI=1S/C20H20O13/c21-5-7-1-11(24)18(12(25)2-7)33-20-17(29)16(28)15(27)13(32-20)6-31-19(30)8-3-9(22)14(26)10(23)4-8/h1-5,13,15-17,20,22-29H,6H2",QNCVLUMAFVDLOF,UHFFFAOYSA,N,Neocretanin,QNCVLUMAFVDLOF-UHFFFAOYSA-N
HMDB39312,650.148299534,C29H30O17,COC1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC)=C1OC,"InChI=1S/C29H30O17/c1-40-18-8-13(9-19(41-2)25(18)42-3)44-29-26(46-28(39)12-6-16(32)22(35)17(33)7-12)24(37)23(36)20(45-29)10-43-27(38)11-4-14(30)21(34)15(31)5-11/h4-9,20,23-24,26,29-37H,10H2,1-3H3",HGBGRHUFMIOHAP,UHFFFAOYSA,N,"3,4,5-Trimethoxyphenyl 2,6-digalloylglucoside",HGBGRHUFMIOHAP-UHFFFAOYSA-N
HMDB39313,608.189376488,C32H32O12,CC(=O)CCC1=CC=C(OC2OC(COC(=O)\C=C\C3=CC=CC=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1,"InChI=1S/C32H32O12/c1-18(33)7-8-20-9-12-22(13-10-20)42-32-30(44-31(40)21-15-23(34)27(37)24(35)16-21)29(39)28(38)25(43-32)17-41-26(36)14-11-19-5-3-2-4-6-19/h2-6,9-16,25,28-30,32,34-35,37-39H,7-8,17H2,1H3/b14-11+",AHLBWJHZDLMJOJ,SDNWHVSQSA,N,4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside],AHLBWJHZDLMJOJ-SDNWHVSQSA-N
HMDB39314,630.15847029,C30H30O15,CC(=O)CCC1=CC=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1,"InChI=1S/C30H30O15/c1-13(31)2-3-14-4-6-17(7-5-14)43-30-27(45-29(41)16-10-20(34)24(37)21(35)11-16)26(39)25(38)22(44-30)12-42-28(40)15-8-18(32)23(36)19(33)9-15/h4-11,22,25-27,30,32-39H,2-3,12H2,1H3",GLAXWGBAKGLFEU,UHFFFAOYSA,N,"4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside]",GLAXWGBAKGLFEU-UHFFFAOYSA-N
HMDB39315,624.18429111,C32H32O13,CC(=O)CCC1=CC=C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1,"InChI=1S/C32H32O13/c1-17(33)2-3-18-6-11-22(12-7-18)43-32-30(45-31(41)20-14-23(35)27(38)24(36)15-20)29(40)28(39)25(44-32)16-42-26(37)13-8-19-4-9-21(34)10-5-19/h4-15,25,28-30,32,34-36,38-40H,2-3,16H2,1H3/b13-8+",QIEOAEKNEKYVTH,MDWZMJQESA,N,4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside],QIEOAEKNEKYVTH-MDWZMJQESA-N
HMDB39316,516.163161738,C26H28O11,CC(C)=CCC1=C(O)C2=C(OC=C(C2=O)C2=C(O)C=C(O)C=C2)C=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C26H28O11/c1-11(2)3-5-14-17(36-26-25(34)24(33)23(32)19(9-27)37-26)8-18-20(21(14)30)22(31)15(10-35-18)13-6-4-12(28)7-16(13)29/h3-4,6-8,10,19,23-30,32-34H,5,9H2,1-2H3",DOIIPZVFYVWPPS,UHFFFAOYSA,N,Luteone 7-glucoside,DOIIPZVFYVWPPS-UHFFFAOYSA-N
HMDB39317,418.308309832,C26H42O4,CCCCCCCCCCCCCCCCOC(=O)\C=C/C1=CC(OC)=C(O)C=C1,"InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-26(28)20-18-23-17-19-24(27)25(22-23)29-2/h17-20,22,27H,3-16,21H2,1-2H3/b20-18-",ZISDTRGMDDVTKY,ZZEZOPTASA,N,Hexadecyl ferulate,ZISDTRGMDDVTKY-ZZEZOPTASA-N
HMDB39318,838.398700558,C42H62O17,CC12CCC(C)(CC1C1=CC(=O)C3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5O)C(O)=O)C(O)=O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O,"InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)",WBQVRPYEEYUEBQ,UHFFFAOYSA,N,Licoricesaponin G2,WBQVRPYEEYUEBQ-UHFFFAOYSA-N
HMDB39319,564.147905604,C26H28O14,CC1OC(OC2=C(OC3=CC(OC4OCC(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)40-24-19(32)16-13(28)6-12(38-25-21(34)18(31)14(29)8-36-25)7-15(16)39-23(24)10-2-4-11(27)5-3-10/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3",WIALSWOBTZTJMW,UHFFFAOYSA,N,Kaempferol 3-rhamnoside 7-xyloside,WIALSWOBTZTJMW-UHFFFAOYSA-N
HMDB39320,608.137734848,C27H28O16,CC1OC(OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H28O16/c1-8-15(30)17(32)20(35)26(39-8)42-23-16(31)14-12(29)6-11(7-13(14)41-22(23)9-2-4-10(28)5-3-9)40-27-21(36)18(33)19(34)24(43-27)25(37)38/h2-8,15,17-21,24,26-30,32-36H,1H3,(H,37,38)",MKGZGCPBKPSTST,UHFFFAOYSA,N,Kaempferol 3-rhamnoside 7-galacturonide,MKGZGCPBKPSTST-UHFFFAOYSA-N
HMDB39321,564.147905604,C26H28O14,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(OC3OCC(O)C(O)C3O)C=C2)C(O)C(O)C1O,"InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)40-24-19(32)16-13(28)6-11(27)7-15(16)39-23(24)10-2-4-12(5-3-10)38-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3",JNCDGNJMRRVEGE,UHFFFAOYSA,N,Kaempferol 3-rhamnoside 4'-xyloside,JNCDGNJMRRVEGE-UHFFFAOYSA-N
HMDB39322,332.074346732,C13H16O10,OCC1OC(OC2=CC(=CC(O)=C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C13H16O10/c14-3-7-9(17)10(18)11(19)13(23-7)22-6-2-4(12(20)21)1-5(15)8(6)16/h1-2,7,9-11,13-19H,3H2,(H,20,21)",XRCRYNCPNYQMOB,UHFFFAOYSA,N,3-Glucogallic acid,XRCRYNCPNYQMOB-UHFFFAOYSA-N
HMDB39323,532.121690854,C25H24O13,COC1=CC2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C25H24O13/c1-34-16-6-13-15(35-9-14(21(13)30)11-2-4-12(26)5-3-11)7-17(16)37-25-24(33)23(32)22(31)18(38-25)10-36-20(29)8-19(27)28/h2-7,9,18,22-26,31-33H,8,10H2,1H3,(H,27,28)/t18-,22-,23+,24-,25-/m1/s1",OWMHCYFEIJPHFB,GOZZSVHWSA,N,6''-O-Malonylglycitin,OWMHCYFEIJPHFB-GOZZSVHWSA-N
HMDB39324,118.02660868,C4H6O4,CC(O)C(=O)C(O)=O,"InChI=1S/C4H6O4/c1-2(5)3(6)4(7)8/h2,5H,1H3,(H,7,8)",QWZIITCYKKSZGN,UHFFFAOYSA,N,xi-3-Hydroxy-2-oxobutanoic acid,QWZIITCYKKSZGN-UHFFFAOYSA-N
HMDB39325,484.085305348,C20H20O14,OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(=CC(O)=C2O)C(O)=O)C1O,"InChI=1S/C20H20O14/c21-8-2-7(3-9(22)13(8)24)19(31)32-5-12-15(26)16(27)17(28)20(34-12)33-11-4-6(18(29)30)1-10(23)14(11)25/h1-4,12,15-17,20-28H,5H2,(H,29,30)",NRQUZRZEYPSZEY,UHFFFAOYSA,N,Gallic acid 3-O-(6-galloylglucoside),NRQUZRZEYPSZEY-UHFFFAOYSA-N
HMDB39326,484.085305348,C20H20O14,OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(C=C2O)C(O)=O)C1O,"InChI=1S/C20H20O14/c21-8-3-7(4-9(22)13(8)25)19(31)32-5-12-14(26)15(27)16(28)20(33-12)34-17-10(23)1-6(18(29)30)2-11(17)24/h1-4,12,14-16,20-28H,5H2,(H,29,30)",YWUUUONTCOYVTR,UHFFFAOYSA,N,Gallic acid 4-O-(6-galloylglucoside),YWUUUONTCOYVTR-UHFFFAOYSA-N
HMDB39327,410.100167552,C22H18O8,OC1=CC=C(C=C1)C(=O)O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O,"InChI=1S/C22H18O8/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h1-9,20-21,23-27H,10H2/t20-,21-/m1/s1",HRNWMQFQEGGZKA,NHCUHLMSSA,N,3-(4-Hydroxybenzoyl)epicatechin,HRNWMQFQEGGZKA-NHCUHLMSSA-N
HMDB39328,456.10564686,C23H20O10,COC1=C(O)C=C(C=C1O)C(=O)O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O,"InChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3/t20-,21-/m1/s1",BXDRTHBTGNNTEW,NHCUHLMSSA,N,Epicatechin 3-O-(4-methylgallate),BXDRTHBTGNNTEW-NHCUHLMSSA-N
HMDB39329,634.408083454,C36H58O9,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1,"InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)",NARQRJFIZNOSJV,UHFFFAOYSA,N,Soyasapogenol B 3-O-b-D-glucuronide,NARQRJFIZNOSJV-UHFFFAOYSA-N
HMDB39330,1266.624462552,C60H98O28,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C60H98O28/c1-23-33(65)37(69)43(75)50(79-23)86-47-40(72)36(68)28(21-63)82-53(47)88-48-42(74)41(73)45(49(77)78)85-54(48)83-31-12-13-57(5)29(58(31,6)22-64)11-14-60(8)30(57)10-9-24-25-17-55(2,3)18-32(56(25,4)15-16-59(24,60)7)84-52-46(39(71)35(67)27(20-62)81-52)87-51-44(76)38(70)34(66)26(19-61)80-51/h9,23,25-48,50-54,61-76H,10-22H2,1-8H3,(H,77,78)",OGJALRFDUFLIDX,UHFFFAOYSA,N,Bersimoside I,OGJALRFDUFLIDX-UHFFFAOYSA-N
HMDB39331,940.503165628,C48H76O18,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(=O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)",CROUPKILZUPLQA,UHFFFAOYSA,N,Dehydrosoyasaponin I,CROUPKILZUPLQA-UHFFFAOYSA-N
HMDB39332,756.190164348,C36H36O18,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+",LSMKTLJKBSXMMR,RUDMXATFSA,N,2''-(6''-p-Coumaroylglucosyl)quercitrin,LSMKTLJKBSXMMR-RUDMXATFSA-N
HMDB39333,636.169034976,C29H32O16,CC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(C)C(OC(C)=O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O,"InChI=1S/C29H32O16/c1-9-19(34)21(36)23(38)28(40-9)43-13-7-16(33)18-17(8-13)44-26(12-4-5-14(31)15(32)6-12)27(20(18)35)45-29-24(39)22(37)25(10(2)41-29)42-11(3)30/h4-10,19,21-25,28-29,31-34,36-39H,1-3H3",HXCHGMPJLNBHOE,UHFFFAOYSA,N,Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside,HXCHGMPJLNBHOE-UHFFFAOYSA-N
HMDB39334,342.13146768,C16H22O8,COC1=C(O)C=CC(\C=C/COC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C16H22O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2-",JOIDTHZGWZZGMU,IHWYPQMZSA,N,Citrusin D,JOIDTHZGWZZGMU-IHWYPQMZSA-N
HMDB39335,802.180387522,C33H38O23,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H38O23/c34-6-14-17(39)20(42)24(46)32(52-14)56-29-22(44)18(40)15(7-35)53-33(29)54-27-19(41)16-12(38)4-9(50-31-25(47)21(43)23(45)28(55-31)30(48)49)5-13(16)51-26(27)8-1-2-10(36)11(37)3-8/h1-5,14-15,17-18,20-25,28-29,31-40,42-47H,6-7H2,(H,48,49)",MBLCMVKVVNMTFV,UHFFFAOYSA,N,Quercetin 7-glucuronoside 3-sophoroside,MBLCMVKVVNMTFV-UHFFFAOYSA-N
HMDB39336,492.126776232,C23H24O12,COC1=CC2=C(C(=O)C(OC)=C(O2)C2=CC(O)=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C23H24O12/c1-31-10-6-13-16(14(7-10)34-23-20(30)19(29)17(27)15(8-24)35-23)18(28)22(32-2)21(33-13)9-3-4-11(25)12(26)5-9/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3",IRESPESAHWABCC,UHFFFAOYSA,N,"3',4',5-Trihydroxy-3,7-dimethoxyflavone 5-glucoside",IRESPESAHWABCC-UHFFFAOYSA-N
HMDB39337,666.215985168,C31H38O16,COC1=CC(OC)=C2C(=O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC2=C1)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C31H38O16/c1-12-21(32)24(35)26(37)30(44-12)43-11-19-22(33)25(36)27(38)31(46-19)47-29-23(34)20-17(42-5)9-14(39-2)10-18(20)45-28(29)13-6-7-15(40-3)16(8-13)41-4/h6-10,12,19,21-22,24-27,30-33,35-38H,11H2,1-5H3",MEJNXDYVXPUWEN,UHFFFAOYSA,N,Tetramethylquercetin 3-rutinoside,MEJNXDYVXPUWEN-UHFFFAOYSA-N
HMDB39338,478.111126168,C22H22O12,COC1=C(O)C2=C(C(O)=C1)C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(O2)C1=CC=C(O)C=C1,"InChI=1S/C22H22O12/c1-31-11-6-10(25)13-16(28)21(34-22-18(30)17(29)14(26)12(7-23)32-22)19(33-20(13)15(11)27)8-2-4-9(24)5-3-8/h2-6,12,14,17-18,22-27,29-30H,7H2,1H3",ATOXWOVZPMMCKB,UHFFFAOYSA,N,Pollenin B,ATOXWOVZPMMCKB-UHFFFAOYSA-N
HMDB39339,180.151415262,C12H20O,CC12C3CC(CC13)C2(C)CCCO,"InChI=1S/C12H20O/c1-11(4-3-5-13)8-6-9-10(7-8)12(9,11)2/h8-10,13H,3-7H2,1-2H3",PICWCIWTSQRPHV,UHFFFAOYSA,N,Tricycloekasantalol,PICWCIWTSQRPHV-UHFFFAOYSA-N
HMDB39340,650.257456052,C32H42O14,CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(OC(=O)C4OC234)C2=COC=C2)C11COC(=O)CC1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C32H42O14/c1-28(2,40)17-9-18(34)30(4)16(5-7-29(3)24(14-6-8-41-12-14)45-26(39)25-32(29,30)46-25)31(17)13-42-20(35)10-19(31)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38,40H,5,7,9-11,13H2,1-4H3",MUZOGCSYWJPGRB,UHFFFAOYSA,N,Ichangin 4-glucoside,MUZOGCSYWJPGRB-UHFFFAOYSA-N
HMDB39341,542.142426296,C27H26O12,OCC1OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C27H26O12/c28-12-21-23(34)24(35)25(39-26(36)15-9-19(31)22(33)20(32)10-15)27(38-21)37-18-5-3-13(4-6-18)1-2-14-7-16(29)11-17(30)8-14/h1-11,21,23-25,27-35H,12H2/b2-1-",MKFHDMUYMGGIRI,UPHRSURJSA,N,Resveratrol 4'-(2-galloylglucoside),MKFHDMUYMGGIRI-UPHRSURJSA-N
HMDB39342,1402.749663064,C70H114O28,CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C1O,"InChI=1S/C70H114O28/c1-13-69(11,97-66-58(84)53(79)50(76)45(32-71)92-66)28-18-26-37(4)21-15-20-36(3)23-17-25-40(7)34-88-64-60(86)61(49(75)43(10)90-64)96-65-57(83)55(81)52(78)47(94-65)35-89-68-62(56(82)48(74)42(9)91-68)95-63(87)41(8)31-44(73)30-39(6)24-16-22-38(5)27-19-29-70(12,14-2)98-67-59(85)54(80)51(77)46(33-72)93-67/h13-14,20,24-27,31,42-62,64-68,71-86H,1-2,15-19,21-23,28-30,32-35H2,3-12H3/b36-20+,37-26+,38-27+,39-24+,40-25-,41-31+",ZFVCQAZTCYDXDU,CLLGTIJNSA,N,Capsianoside G,ZFVCQAZTCYDXDU-CLLGTIJNSA-N
HMDB39343,800.10722258,C35H28O22,OC(=O)C1(CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C1)OC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(48)54-23-9-35(34(52)53,57-33(51)14-7-21(42)28(47)22(43)8-14)10-24(55-31(49)12-3-17(38)26(45)18(39)4-12)29(23)56-32(50)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-47H,9-10H2,(H,52,53)",JQVXKQDWMIXILH,UHFFFAOYSA,N,"1,3,4,5-Tetra-O-galloylquinic acid",JQVXKQDWMIXILH-UHFFFAOYSA-N
HMDB39344,800.10722258,C35H28O22,OC(=O)[C@]1(O)C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C1)OC(=O)C1=CC(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1,"InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(29(23)57-33(50)13-5-19(40)27(46)20(41)6-13)55-31(48)14-7-21(42)28(22(43)8-14)56-32(49)12-3-17(38)26(45)18(39)4-12/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29-,35+/m1/s1",OFTCZZCLDWTQNJ,ZVLUUUFJSA,N,"3-Digalloyl-4,5-di-O-galloylquinic acid",OFTCZZCLDWTQNJ-ZVLUUUFJSA-N
HMDB39345,800.10722258,C35H28O22,OC(=O)[C@@]1(O)C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C1)OC(=O)C1=CC(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1,"InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(29(23)57-33(50)13-5-19(40)27(46)20(41)6-13)55-31(48)14-7-21(42)28(22(43)8-14)56-32(49)12-3-17(38)26(45)18(39)4-12/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29+,35-/m1/s1",OFTCZZCLDWTQNJ,JUUXLJTDSA,N,"5-O-Digalloyl-3,4-di-O-galloylquinic acid",OFTCZZCLDWTQNJ-JUUXLJTDSA-N
HMDB39346,800.10722258,C35H28O22,OC(=O)C1(O)C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=C2)[C@@H](C1)OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(55-31(48)12-3-17(38)26(45)18(39)4-12)29(23)57-33(50)14-7-21(42)28(22(43)8-14)56-32(49)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29?,35?/m1/s1",IUPQNOUMMBZOED,JHZIIMIVSA,N,"4-O-Digalloyl-3,5-di-O-galloylquinic acid",IUPQNOUMMBZOED-JHZIIMIVSA-N
HMDB39347,594.15847029,C27H30O15,OCC1OC(OC2=CC(O)=C(C=C2)C2=COC3=C(C=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C2=O)C(O)C(O)C1O,"InChI=1S/C27H30O15/c28-7-17-20(32)22(34)24(36)26(41-17)39-10-1-3-12(15(30)5-10)14-9-38-16-6-11(2-4-13(16)19(14)31)40-27-25(37)23(35)21(33)18(8-29)42-27/h1-6,9,17-18,20-30,32-37H,7-8H2",DNPGZHRLHFUCNR,UHFFFAOYSA,N,"2'-Hydroxydaidzein 4',7-diglucoside",DNPGZHRLHFUCNR-UHFFFAOYSA-N
HMDB39348,634.26254143,C32H42O13,COC1=C(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(C\C=C\CCCC2)=C1,"InChI=1S/C32H42O13/c1-40-29-19-13-17(9-7-5-3-4-6-8-16-10-11-20(34)18(19)12-16)28(30(29)41-2)45-32-27(39)25(37)24(36)22(44-32)15-42-31-26(38)23(35)21(14-33)43-31/h4,6,10-13,21-27,31-39H,3,5,7-9,14-15H2,1-2H3/b6-4+",CKGPMQKYPJTHRX,GQCTYLIASA,N,Myricanene B 5-[arabinosyl-(1->6)-glucoside],CKGPMQKYPJTHRX-GQCTYLIASA-N
HMDB39349,404.18350325,C22H28O7,COC1=CC(=CC(OC)=C1O)C(O)C(C)OC1=C(OC)C=C(CC=C)C=C1OC,"InChI=1S/C22H28O7/c1-7-8-14-9-18(27-5)22(19(10-14)28-6)29-13(2)20(23)15-11-16(25-3)21(24)17(12-15)26-4/h7,9-13,20,23-24H,1,8H2,2-6H3",JJVOBQHHQSQIMW,UHFFFAOYSA,N,"2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3-hydroxy-4,5-dimethoxyphenyl)-1-propanol",JJVOBQHHQSQIMW-UHFFFAOYSA-N
HMDB39350,404.18350325,C22H28O7,COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC(O)=C(OC)C(OC)=C1,"InChI=1S/C22H28O7/c1-7-8-14-9-17(25-3)22(18(10-14)26-4)29-13(2)20(24)15-11-16(23)21(28-6)19(12-15)27-5/h7,9-13,20,23-24H,1,8H2,2-6H3",FIUKDYRAJAEJPH,UHFFFAOYSA,N,"2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanol",FIUKDYRAJAEJPH-UHFFFAOYSA-N
HMDB39351,634.26254143,C32H42O13,COC1=C(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CC\C=C\CCC2)=C1,"InChI=1S/C32H42O13/c1-40-29-19-13-17(9-7-5-3-4-6-8-16-10-11-20(34)18(19)12-16)28(30(29)41-2)45-32-27(39)25(37)24(36)22(44-32)15-42-31-26(38)23(35)21(14-33)43-31/h3-4,10-13,21-27,31-39H,5-9,14-15H2,1-2H3/b4-3+",YPIDUTRPMROMSO,ONEGZZNKSA,N,Myricanene A 5-[arabinosyl-(1->6)-glucoside],YPIDUTRPMROMSO-ONEGZZNKSA-N
HMDB39352,810.440171425,C42H66O15,CC12CCC(C)(CC1C1=CCC3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O,"InChI=1S/C42H66O15/c1-37-13-14-38(2,36(52)53)17-21(37)20-7-8-24-39(3)11-10-25(40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)",FXYSHYMHTAACSV,UHFFFAOYSA,N,Azukisaponin III,FXYSHYMHTAACSV-UHFFFAOYSA-N
HMDB39353,851.503106049,C45H73NO14,CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O,"InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3",TYNQWWGVEGFKRU,UHFFFAOYSA,N,alpha-Chaconine,TYNQWWGVEGFKRU-UHFFFAOYSA-N
HMDB39354,346.089996796,C14H18O10,COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C14H18O10/c1-22-14-12(20)11(19)10(18)8(24-14)4-23-13(21)5-2-6(15)9(17)7(16)3-5/h2-3,8,10-12,14-20H,4H2,1H3",FNCIIGZVDLRIDE,UHFFFAOYSA,N,Methyl 6-O-galloyl-beta-D-glucopyranoside,FNCIIGZVDLRIDE-UHFFFAOYSA-N
HMDB39355,390.069138519,C17H19BrN4O2,Br.CN(C)CCOC1=C(C2=CC=CC=C2)C(=O)N2C=CN=CC2=N1,"InChI=1S/C17H18N4O2.BrH/c1-20(2)10-11-23-16-15(13-6-4-3-5-7-13)17(22)21-9-8-18-12-14(21)19-16;/h3-9,12H,10-11H2,1-2H3;1H",NADLOUKASJSMIH,UHFFFAOYSA,N,Methyl 6-O-digalloyl-beta-D-glucopyranoside,NADLOUKASJSMIH-UHFFFAOYSA-N
HMDB39356,202.135765198,C14H18O,C=CCCCCCC1OC1CC#CC#C,"InChI=1S/C14H18O/c1-3-5-7-8-10-12-14-13(15-14)11-9-6-4-2/h2-3,13-14H,1,5,7-8,10-12H2",TVKDYKYMRUCXKP,UHFFFAOYSA,N,Panaquinquecol 5,TVKDYKYMRUCXKP-UHFFFAOYSA-N
HMDB39357,494.142426296,C23H26O12,COC1=CC=C(C=C1)C1OC2=C(C(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2OC)C(=O)C1O,"InChI=1S/C23H26O12/c1-31-10-5-3-9(4-6-10)20-18(29)16(27)14-11(25)7-12(21(32-2)22(14)35-20)33-23-19(30)17(28)15(26)13(8-24)34-23/h3-7,13,15,17-20,23-26,28-30H,8H2,1-2H3",MUNCRDHDUBYFAO,UHFFFAOYSA,N,Dihydroprudomenin,MUNCRDHDUBYFAO-UHFFFAOYSA-N
HMDB39358,262.193280076,C17H26O2,CCCCCCCC1OC1CC#CC#CC(O)CC,"InChI=1S/C17H26O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h15-18H,3-7,10,13-14H2,1-2H3",WDZQEROINMBCOK,UHFFFAOYSA,N,Ginsenoyne D,WDZQEROINMBCOK-UHFFFAOYSA-N
HMDB39359,190.062994186,C11H10O3,COC(=O)\C=C\C#CC#C\C=C\CO,"InChI=1S/C11H10O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h6-9,12H,10H2,1H3/b8-6+,9-7+",KDEVFRDBFLWTKI,CDJQDVQCSA,N,"Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate",KDEVFRDBFLWTKI-CDJQDVQCSA-N
HMDB39360,450.120956892,C24H22ClF3O3,CCOC1=CC=C(C=C1)C(COCC1=CC(OC2=CC=C(Cl)C=C2)=CC=C1)C(F)(F)F,"InChI=1S/C24H22ClF3O3/c1-2-30-20-10-6-18(7-11-20)23(24(26,27)28)16-29-15-17-4-3-5-22(14-17)31-21-12-8-19(25)9-13-21/h3-14,23H,2,15-16H2,1H3",RURQAJURNPMSSK,UHFFFAOYSA,N,(±)-Flufenprox,RURQAJURNPMSSK-UHFFFAOYSA-N
HMDB39361,312.187800768,C24H24,C=C(CC(CCC1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H24/c1-20(22-13-7-3-8-14-22)19-24(23-15-9-4-10-16-23)18-17-21-11-5-2-6-12-21/h2-16,24H,1,17-19H2",VTFWGFWAVPVIAA,UHFFFAOYSA,N,"(±)-2,4,6-Triphenyl-1-hexene",VTFWGFWAVPVIAA-UHFFFAOYSA-N
HMDB39362,486.370910088,C31H50O4,COC(C)(C)\C=C\CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O,"InChI=1S/C31H50O4/c1-20(10-9-14-27(2,3)35-8)21-13-15-30(7)26-24(33)18-23-22(11-12-25(34)28(23,4)5)31(26,19-32)17-16-29(21,30)6/h9,14,18-22,24-26,33-34H,10-13,15-17H2,1-8H3/b14-9+",AEUOCNAZOMRXEC,NTEUORMPSA,N,"3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al",AEUOCNAZOMRXEC-NTEUORMPSA-N
HMDB39363,772.206208342,C33H40O21,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,"InChI=1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3",XEFNBVWDOQCMSG,UHFFFAOYSA,N,Quercetin 3-(3R-glucosylrutinoside),XEFNBVWDOQCMSG-UHFFFAOYSA-N
HMDB39364,488.204632622,C26H32O9,CC1(C)OCC2(C(O)CC(O)=O)C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=COC=C1,"InChI=1S/C26H32O9/c1-22(2)15-9-16(27)24(4)14(25(15,12-33-22)17(28)10-18(29)30)5-7-23(3)19(13-6-8-32-11-13)34-21(31)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,28H,5,7,9-10,12H2,1-4H3,(H,29,30)",SZSLZBYOLTYIOE,UHFFFAOYSA,N,Isolimonic acid 16->17-lactone,SZSLZBYOLTYIOE-UHFFFAOYSA-N
HMDB39365,668.268020738,C32H44O15,CC1(C)OCC2(C(O)CC(O)=O)C1CC(=O)C1(C)C2CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)C2=COC=C2)C11OC1C(O)=O,"InChI=1S/C32H44O15/c1-28(2)17-9-18(34)30(4)16(31(17,13-44-28)19(35)10-20(36)37)5-7-29(3,32(30)25(47-32)26(41)42)24(14-6-8-43-12-14)46-27-23(40)22(39)21(38)15(11-33)45-27/h6,8,12,15-17,19,21-25,27,33,35,38-40H,5,7,9-11,13H2,1-4H3,(H,36,37)(H,41,42)",KEITVHVZENPMPG,UHFFFAOYSA,N,Isolimonic acid glucoside,KEITVHVZENPMPG-UHFFFAOYSA-N
HMDB39366,332.074346732,C13H16O10,OCC1(O)C(O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1O,"InChI=1S/C13H16O10/c14-4-13(21)10(18)8(23-12(13)20)3-22-11(19)5-1-6(15)9(17)7(16)2-5/h1-2,8,10,12,14-18,20-21H,3-4H2",VGGLWNMXAJJMPA,UHFFFAOYSA,N,5-O-Galloylhamamelofuranose,VGGLWNMXAJJMPA-UHFFFAOYSA-N
HMDB39367,484.085305348,C20H20O14,OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1O,"InChI=1S/C20H20O14/c21-5-13-16(28)20(31,6-32-17(29)7-1-9(22)14(26)10(23)2-7)19(33-13)34-18(30)8-3-11(24)15(27)12(25)4-8/h1-4,13,16,19,21-28,31H,5-6H2",YLVZUMVQGWGBQX,UHFFFAOYSA,N,"1,2'-Di-O-galloylhamamelofuranose",YLVZUMVQGWGBQX-UHFFFAOYSA-N
HMDB39368,636.096263964,C27H24O18,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(38)42-7-18-22(37)27(41,8-43-24(39)10-3-14(30)20(35)15(31)4-10)26(44-18)45-25(40)11-5-16(32)21(36)17(33)6-11/h1-6,18,22,26,28-37,41H,7-8H2",LSTGMXWAKWGYPI,UHFFFAOYSA,N,"1,2',5-Tri-O-galloylhamamelofuranose",LSTGMXWAKWGYPI-UHFFFAOYSA-N
HMDB39369,636.096263964,C27H24O18,OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(COC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(38)42-7-18-22(37)27(26(41)44-18,45-25(40)11-5-16(32)21(36)17(33)6-11)8-43-24(39)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-37,41H,7-8H2",AFXUNCBGZGFPOZ,UHFFFAOYSA,N,Kurigalin,AFXUNCBGZGFPOZ-UHFFFAOYSA-N
HMDB39370,636.096263964,C27H24O18,OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(37)42-7-18-22(45-25(39)11-5-16(32)21(36)17(33)6-11)27(41,26(40)44-18)8-43-24(38)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-36,40-41H,7-8H2",KCQFLGUEZXYOER,UHFFFAOYSA,N,3-O-Galloylhamamelitannin,KCQFLGUEZXYOER-UHFFFAOYSA-N
HMDB39371,788.10722258,C34H28O22,OC1=CC(=CC(O)=C1O)C(=O)OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C34H28O22/c35-15-1-11(2-16(36)24(15)43)29(47)52-9-23-28(55-31(49)13-5-19(39)26(45)20(40)6-13)34(51,10-53-30(48)12-3-17(37)25(44)18(38)4-12)33(54-23)56-32(50)14-7-21(41)27(46)22(42)8-14/h1-8,23,28,33,35-46,51H,9-10H2",ROGCBAYDUGZLLG,UHFFFAOYSA,N,"1,2',3,5-Tetra-O-galloylhamamelofuranose",ROGCBAYDUGZLLG-UHFFFAOYSA-N
HMDB39372,1720.16280352,C75H52O48,OC1OC2COC(=O)C3=CC(OC4=C(C=C(O)C(O)=C4O)C(=O)OC4OC5COC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC5C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C4OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)OC12,"InChI=1S/C75H52O48/c76-23-1-14(2-24(77)42(23)86)65(102)119-62-60-35(13-113-67(104)16-5-27(80)44(88)51(95)36(16)37-17(70(107)118-60)6-28(81)45(89)52(37)96)116-75(64(62)122-66(103)15-3-25(78)43(87)26(79)4-15)123-73(110)22-10-32(85)49(93)57(101)58(22)114-33-11-21-41(56(100)50(33)94)40-18(7-29(82)48(92)55(40)99)69(106)117-59-34(12-112-68(21)105)115-74(111)63-61(59)120-71(108)19-8-30(83)46(90)53(97)38(19)39-20(72(109)121-63)9-31(84)47(91)54(39)98/h1-11,34-35,59-64,74-101,111H,12-13H2",XLMXBOORKDWPAX,UHFFFAOYSA,N,Degalloylrugosin F,XLMXBOORKDWPAX-UHFFFAOYSA-N
HMDB39373,608.137734848,C27H28O16,CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)",FMMBDZGNMFRGMV,UHFFFAOYSA,N,6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,FMMBDZGNMFRGMV-UHFFFAOYSA-N
HMDB39374,652.163949598,C29H32O17,CC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O,"InChI=1S/C29H32O17/c1-9-19(34)22(37)24(39)28(42-9)43-12-6-15(33)18-16(7-12)44-26(11-3-4-13(31)14(32)5-11)27(21(18)36)46-29-25(40)23(38)20(35)17(45-29)8-41-10(2)30/h3-7,9,17,19-20,22-25,28-29,31-35,37-40H,8H2,1-2H3",QBFLREGYLMFMCL,UHFFFAOYSA,N,6''-Acetylhyperin 7-rhamnoside,QBFLREGYLMFMCL-UHFFFAOYSA-N
HMDB39375,772.206208342,C33H40O21,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,"InChI=1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1",XEFNBVWDOQCMSG,GJHFDJSNSA,N,Hyperin 6''-[glucosyl-(1->3)-rhamnoside],XEFNBVWDOQCMSG-GJHFDJSNSA-N
HMDB39376,296.162373878,C16H24O5,COC(=O)\C=C(/C)\C=C\C1(O)C2(C)COC1(C)CC(O)C2,"InChI=1S/C16H24O5/c1-11(7-13(18)20-4)5-6-16(19)14(2)8-12(17)9-15(16,3)21-10-14/h5-7,12,17,19H,8-10H2,1-4H3/b6-5+,11-7+",QNMHUZMKLBWTQM,LCAICKDSSA,N,Methyl dihydrophaseate,QNMHUZMKLBWTQM-LCAICKDSSA-N
HMDB39377,302.07903818,C16H14O6,COC1=C(O)C=C(CC2(O)OC3=C(C=CC(O)=C3)C2=O)C=C1,"InChI=1S/C16H14O6/c1-21-13-5-2-9(6-12(13)18)8-16(20)15(19)11-4-3-10(17)7-14(11)22-16/h2-7,17-18,20H,8H2,1H3",HBEFLXKTZCXMQU,UHFFFAOYSA,N,"2,3',6-Trihydroxy-4'-methoxybenzylcoumaranone",HBEFLXKTZCXMQU-UHFFFAOYSA-N
HMDB39378,478.147511674,C23H26O11,CC(=O)CCC1=CC=C(OC2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1,"InChI=1S/C23H26O11/c1-11(25)2-3-12-4-6-14(7-5-12)32-23-21(20(30)19(29)17(10-24)33-23)34-22(31)13-8-15(26)18(28)16(27)9-13/h4-9,17,19-21,23-24,26-30H,2-3,10H2,1H3",KHUVRRVIZOSFTI,UHFFFAOYSA,N,Isolindleyin,KHUVRRVIZOSFTI-UHFFFAOYSA-N
HMDB39379,402.13146768,C21H22O8,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H22O8/c1-8-5-10-14(21-20(28)19(27)17(25)13(7-22)29-21)9-3-2-4-11(23)15(9)18(26)16(10)12(24)6-8/h2-6,13-14,17,19-25,27-28H,7H2,1H3",RZCVGOHQLRNJKQ,UHFFFAOYSA,N,Chrysaloin,RZCVGOHQLRNJKQ-UHFFFAOYSA-N
HMDB39380,414.204238692,C24H30O6,COC1=CC(O)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23O)C(C)=C1,"InChI=1S/C24H30O6/c1-13-6-16(29-5)8-18(26)20(13)21(27)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)28/h6-8,12,14,17,19,26,28H,9-11H2,1-5H3",ISKWRTCZWOXOOF,UHFFFAOYSA,N,Armillarin,ISKWRTCZWOXOOF-UHFFFAOYSA-N
HMDB39381,330.110338308,C18H18O6,OC\C=C/C1=CC2=C(OC(C(CO)O2)C2=CC(O)=C(O)C=C2)C=C1,"InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1-",NKYXNCKZTCGVJJ,UPHRSURJSA,N,Americanol A,NKYXNCKZTCGVJJ-UPHRSURJSA-N
HMDB39382,166.099379692,C10H14O2,CC(=C)C1CC2OC2(C)C(=O)C1,"InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3",YGMNGQDLUQECTO,UHFFFAOYSA,N,"(1xi,4xi,6xi)-Carvone oxide",YGMNGQDLUQECTO-UHFFFAOYSA-N
HMDB39383,610.153384912,C27H30O16,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C27H30O16/c1-8-17(32)20(35)23(38)26(39-8)43-25-21(36)18(33)15(7-28)42-27(25)40-10-5-13(31)16-14(6-10)41-24(22(37)19(16)34)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-21,23,25-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",HIEKMCGJSNLAGG,MTKPOXERSA,N,Quercetin 7-(rhamnosylglucoside),HIEKMCGJSNLAGG-MTKPOXERSA-N
HMDB39384,568.179205732,C26H32O14,OCC1OC(OC2=CC(\C=C/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3)=CC(O)=C2)C(O)C(O)C1O,"InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-6-12(5-13(29)8-14)2-1-11-3-4-16(15(30)7-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1-",UWGYRKQDXBYOFK,UPHRSURJSA,N,"Piceatannol 3,4'-diglucoside",UWGYRKQDXBYOFK-UPHRSURJSA-N
HMDB39385,328.152203122,C16H24O7,CC(C)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(CO)C=C1,"InChI=1S/C16H24O7/c1-8(2)10-4-3-9(6-17)5-11(10)22-16-15(21)14(20)13(19)12(7-18)23-16/h3-5,8,12-21H,6-7H2,1-2H3",IILRAPUPZQMHJL,UHFFFAOYSA,N,3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside,IILRAPUPZQMHJL-UHFFFAOYSA-N
HMDB39386,490.205026552,C22H34O12,CC(C)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(C)C(OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C22H34O12/c1-8(2)10-4-11(31-21-19(29)17(27)15(25)13(6-23)33-21)9(3)12(5-10)32-22-20(30)18(28)16(26)14(7-24)34-22/h4-5,8,13-30H,6-7H2,1-3H3",STVIMSVCYHRGIY,UHFFFAOYSA,N,Cymorcin diglucoside,STVIMSVCYHRGIY-UHFFFAOYSA-N
HMDB39387,219.053157781,C11H9NO4,COC(=O)C1=CC(O)=NC2=C1C=C(O)C=C2,"InChI=1S/C11H9NO4/c1-16-11(15)8-5-10(14)12-9-3-2-6(13)4-7(8)9/h2-5,13H,1H3,(H,12,14)",VMFVSNYOKIVXJO,UHFFFAOYSA,N,"Methyl 2,6-dihydroxy-4-quinolinecarboxylate",VMFVSNYOKIVXJO-UHFFFAOYSA-N
HMDB39388,1128.586895256,C60H88O20,CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(O)CC(OC1C%10O)\C=C/C(O)CO,"InChI=1S/C60H88O20/c1-27-16-41-43(21-48-54(77-41)29(3)52(66)58-55(78-48)28(2)30(4)60(80-58)24-33(64)26-68-60)73-45-23-51-59(5,79-46(45)17-27)50(65)22-44-36(75-51)9-7-6-8-35-37(72-44)12-13-39-38(70-35)14-15-40-42(71-39)20-49-57(76-40)53(67)56-47(74-49)19-32(63)18-34(69-56)11-10-31(62)25-61/h6-7,10-15,27-58,61-67H,8-9,16-26H2,1-5H3/b7-6-,11-10-",GMAVVBHHYUTPNO,QOXWLJPHSA,N,"6,7-Dihydro-7-hydroxyciguatoxin",GMAVVBHHYUTPNO-QOXWLJPHSA-N
HMDB39389,1126.571245192,C60H86O20,CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(=O)CC(OC1C%10O)\C=C/C(O)CO,"InChI=1S/C60H86O20/c1-27-16-41-43(21-48-54(77-41)29(3)52(66)58-55(78-48)28(2)30(4)60(80-58)24-33(64)26-68-60)73-45-23-51-59(5,79-46(45)17-27)50(65)22-44-36(75-51)9-7-6-8-35-37(72-44)12-13-39-38(70-35)14-15-40-42(71-39)20-49-57(76-40)53(67)56-47(74-49)19-32(63)18-34(69-56)11-10-31(62)25-61/h6-7,10-15,27-31,33-58,61-62,64-67H,8-9,16-26H2,1-5H3/b7-6-,11-10-",UNXJZYZQFRPZGK,QOXWLJPHSA,N,7-Oxociguatoxin,UNXJZYZQFRPZGK-QOXWLJPHSA-N
HMDB39390,1144.581809878,C60H88O21,CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(=O)CC(CC(O)C(O)CO)OC1C%10O,"InChI=1S/C60H88O21/c1-26-14-41-43(20-48-54(78-41)28(3)52(67)58-55(79-48)27(2)29(4)60(81-58)23-31(63)25-69-60)74-45-22-51-59(5,80-46(45)15-26)50(66)21-44-36(76-51)9-7-6-8-35-37(73-44)10-11-39-38(71-35)12-13-40-42(72-39)19-49-57(77-40)53(68)56-47(75-49)17-30(62)16-32(70-56)18-33(64)34(65)24-61/h6-7,10-13,26-29,31-58,61,63-68H,8-9,14-25H2,1-5H3/b7-6-",APFIPUUCQMNOEB,SREVYHEPSA,N,3-Hydroxy-7-oxociguatoxin,APFIPUUCQMNOEB-SREVYHEPSA-N
HMDB39391,1144.581809878,C60H88O21,CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(=O)CC(OC1C%10O)C(O)CC(O)CO,"InChI=1S/C60H88O21/c1-26-14-41-43(20-48-54(78-41)28(3)52(67)58-55(79-48)27(2)29(4)60(81-58)23-32(64)25-69-60)73-45-22-51-59(5,80-46(45)15-26)50(66)21-44-35(75-51)9-7-6-8-34-36(72-44)10-11-38-37(70-34)12-13-39-42(71-38)19-49-57(76-39)53(68)56-47(74-49)18-30(62)17-40(77-56)33(65)16-31(63)24-61/h6-7,10-13,26-29,31-58,61,63-68H,8-9,14-25H2,1-5H3/b7-6-",STINGUNOUQIMKH,SREVYHEPSA,N,4-Hydroxy-7-oxociguatoxin,STINGUNOUQIMKH-SREVYHEPSA-N
HMDB39392,1110.57633057,C60H86O19,CC1C2(CCCO2)OC2C(OC3CC4OC5CC6OC7C\C=C/CC8OC9C=CC%10OC%11C(CC%10OC9C=CC8OC7CC(O)C6(C)OC5CC(C)CC4OC3C(C)C2O)OC2CC=CC(OC2C%11O)\C=C/C(O)CO)C1(C)O,"InChI=1S/C60H86O19/c1-29-22-41-43(25-47-53(76-41)30(2)51(64)56-57(77-47)58(4,66)31(3)60(79-56)20-9-21-67-60)73-45-27-50-59(5,78-46(45)23-29)49(63)26-44-35(74-50)12-7-6-11-34-36(71-44)16-17-38-37(69-34)18-19-39-42(70-38)24-48-55(75-39)52(65)54-40(72-48)13-8-10-33(68-54)15-14-32(62)28-61/h6-8,10,14-19,29-57,61-66H,9,11-13,20-28H2,1-5H3/b7-6-,15-14-",WWCIRTDYOZROQE,HXDWTSBLSA,N,54-Deoxy-50-hydroxyciguatoxin,WWCIRTDYOZROQE-HXDWTSBLSA-N
HMDB39393,1078.586501326,C60H86O17,CC1C(C)C(O)(CCCO)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C=C,"InChI=1S/C60H86O17/c1-7-8-13-34-14-11-17-41-56(66-34)53(64)57-49(70-41)26-43-40(73-57)21-20-38-39(68-43)19-18-37-35(67-38)15-9-10-16-36-45(69-37)28-50(62)59(6)51(72-36)29-46-47(76-59)25-30(2)24-42-44(71-46)27-48-54(74-42)32(4)52(63)58-55(75-48)31(3)33(5)60(65,77-58)22-12-23-61/h7-11,13-14,18-21,30-58,61-65H,1,12,15-17,22-29H2,2-6H3/b10-9-,13-8-",DNWYCZABINJZIX,KHGXCJAJSA,N,M-Secociguatoxin 4A,DNWYCZABINJZIX-KHGXCJAJSA-N
HMDB39394,1110.57633057,C60H86O19,CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C(O)CO,"InChI=1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13-",VYVRIXWNTVOIRD,ZBXVJARNSA,N,52-Epiciguatoxin,VYVRIXWNTVOIRD-ZBXVJARNSA-N
HMDB39395,902.487515564,C45H74O18,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(CO)CO1,"InChI=1S/C45H74O18/c1-18-30-28(63-45(18)11-8-21(15-46)17-56-45)13-25-23-7-6-22-12-27(26(48)14-44(22,5)24(23)9-10-43(25,30)4)59-42-39(62-41-36(54)34(52)32(50)20(3)58-41)37(55)38(29(16-47)60-42)61-40-35(53)33(51)31(49)19(2)57-40/h18-42,46-55H,6-17H2,1-5H3",VFFZTNVCORWDDD,UHFFFAOYSA,N,Tuberoside K,VFFZTNVCORWDDD-UHFFFAOYSA-N
HMDB39396,756.429606756,C39H64O14,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(CO)CO1,"InChI=1S/C39H64O14/c1-17-28-26(53-39(17)10-7-19(14-40)16-48-39)12-23-21-6-5-20-11-25(24(42)13-38(20,4)22(21)8-9-37(23,28)3)50-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)18(2)49-35/h17-36,40-47H,5-16H2,1-4H3",KWJJIZPJGGHBBX,UHFFFAOYSA,N,Tuberoside J,KWJJIZPJGGHBBX-UHFFFAOYSA-N
HMDB39397,1064.540338994,C51H84O23,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(COC2OC(CO)C(O)C(O)C2O)CO1,"InChI=1S/C51H84O23/c1-19-32-29(74-51(19)11-8-22(18-66-51)17-65-45-39(61)38(60)35(57)30(15-52)70-45)13-26-24-7-6-23-12-28(27(54)14-50(23,5)25(24)9-10-49(26,32)4)69-48-44(73-47-41(63)37(59)34(56)21(3)68-47)42(64)43(31(16-53)71-48)72-46-40(62)36(58)33(55)20(2)67-46/h19-48,52-64H,6-18H2,1-5H3",JNVASJAUPSEUEW,UHFFFAOYSA,N,Tuberoside L,JNVASJAUPSEUEW-UHFFFAOYSA-N
HMDB39398,818.502771698,C42H74O15,CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C42H74O15/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8,53)16-11-26(46)38(3,4)52)39(24,5)13-12-27(37)56-36-34(32(50)30(48)23(19-44)55-36)57-35-33(51)31(49)29(47)22(18-43)54-35/h20-36,43-53H,9-19H2,1-8H3",UGMWBGKFEUXCMG,UHFFFAOYSA,N,Quinquenoside F1,UGMWBGKFEUXCMG-UHFFFAOYSA-N
HMDB39399,970.440959302,C47H70O21,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H70O21/c1-41(2)13-15-46(39(60)67-36-30(54)29(53)28(52)23(18-48)63-36)16-14-44(5)21(22(46)17-41)7-8-25-42(3)11-10-26(43(4,20-49)24(42)9-12-45(25,44)6)64-37-31(55)32-33(34(65-37)35(56)57)68-47(61,38(58)59)40(66-32)62-19-27(50)51/h7,22-26,28-34,36-37,40,48-49,52-55,61H,8-20H2,1-6H3,(H,50,51)(H,56,57)(H,58,59)",JYRSMGIIEWZYRJ,UHFFFAOYSA,N,Basellasaponin A,JYRSMGIIEWZYRJ-UHFFFAOYSA-N
HMDB39400,968.425309238,C47H68O21,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H68O21/c1-41(2)13-15-46(39(60)67-36-30(54)29(53)28(52)23(18-48)63-36)16-14-44(5)21(22(46)17-41)7-8-25-42(3)11-10-26(43(4,20-49)24(42)9-12-45(25,44)6)64-37-31(55)32-33(34(65-37)35(56)57)68-47(61,38(58)59)40(66-32)62-19-27(50)51/h7,20,22-26,28-34,36-37,40,48,52-55,61H,8-19H2,1-6H3,(H,50,51)(H,56,57)(H,58,59)",BZWGXDPFKVWKCE,UHFFFAOYSA,N,Basellasaponin B,BZWGXDPFKVWKCE-UHFFFAOYSA-N
HMDB39401,984.42022386,C47H68O22,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(C5CCC34C)C(O)=O)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H68O22/c1-41(2)13-15-46(39(61)68-35-29(53)28(52)27(51)22(18-48)64-35)16-14-43(4)20(21(46)17-41)7-8-23-42(3)11-10-25(45(6,37(57)58)24(42)9-12-44(23,43)5)65-36-30(54)31-32(33(66-36)34(55)56)69-47(62,38(59)60)40(67-31)63-19-26(49)50/h7,21-25,27-33,35-36,40,48,51-54,62H,8-19H2,1-6H3,(H,49,50)(H,55,56)(H,57,58)(H,59,60)",CSVNFXHGUWHHIF,UHFFFAOYSA,N,Basellasaponin C,CSVNFXHGUWHHIF-UHFFFAOYSA-N
HMDB39402,984.42022386,C47H68O22,CC1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CCC3(CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)C(O)=O)OC1OC(C2OC(O)(C(OCC(O)=O)OC2C1O)C(O)=O)C(O)=O,"InChI=1S/C47H68O22/c1-41(2)23-9-12-45(6)24(43(23,4)11-10-25(41)65-36-30(54)31-32(33(66-36)34(55)56)69-47(62,38(59)60)40(67-31)63-19-26(49)50)8-7-20-21-17-42(3,37(57)58)13-15-46(21,16-14-44(20,45)5)39(61)68-35-29(53)28(52)27(51)22(18-48)64-35/h7,21-25,27-33,35-36,40,48,51-54,62H,8-19H2,1-6H3,(H,49,50)(H,55,56)(H,57,58)(H,59,60)",XRPQKQDVGUZFQR,UHFFFAOYSA,N,Basellasaponin D,XRPQKQDVGUZFQR-UHFFFAOYSA-N
HMDB39403,380.292659768,C23H40O4,CCCCCCCC\C=C/CCCCC\C=C\C(=O)CC(O)COC(C)=O,"InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h10-11,17-18,23,26H,3-9,12-16,19-20H2,1-2H3/b11-10-,18-17+",RCVPNKIEBGIOFR,APUJEFNWSA,N,"2-Hydroxy-4-oxo-5,12-heneicosadien-1-yl acetate",RCVPNKIEBGIOFR-APUJEFNWSA-N
HMDB39404,292.073558872,C18H12O4,OC1OC(=O)C2=C(C=CC3=C2C1=CC=C3)C1=CC=C(O)C=C1,"InChI=1S/C18H12O4/c19-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(21)22-17(14)20/h1-9,17,19-20H",UYEXTCFTIVELSS,UHFFFAOYSA,N,"3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one",UYEXTCFTIVELSS-UHFFFAOYSA-N
HMDB39405,292.073558872,C18H12O4,OC1OC(=O)C2=CC=CC3=C2C1=C(C=C3)C1=CC=C(O)C=C1,"InChI=1S/C18H12O4/c19-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(21)22-17(14)20/h1-9,18-19,21H",LIFGUYJSGKEZDL,UHFFFAOYSA,N,"3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one",LIFGUYJSGKEZDL-UHFFFAOYSA-N
HMDB39406,942.518815692,C48H78O18,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-38(66-40-36(58)34(56)31(53)25(20-50)62-40)37(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)",OGKRHYLZKFTGGO,UHFFFAOYSA,N,Arvensoside D,OGKRHYLZKFTGGO-UHFFFAOYSA-N
HMDB39407,146.094294314,C7H14O3,CCCC(O)CC(=O)OC,"InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3",ACCRBMDJCPPJDX,UHFFFAOYSA,N,Methyl (±)-3-hydroxyhexanoate,ACCRBMDJCPPJDX-UHFFFAOYSA-N
HMDB39408,290.122634328,C10H18N4O6,NC(=N)NCCCC(NC(=O)C(O)CC(O)=O)C(O)=O,"InChI=1S/C10H18N4O6/c11-10(12)13-3-1-2-5(9(19)20)14-8(18)6(15)4-7(16)17/h5-6,15H,1-4H2,(H,14,18)(H,16,17)(H,19,20)(H4,11,12,13)",JRDIRZIEGSCMRP,UHFFFAOYSA,N,N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine,JRDIRZIEGSCMRP-UHFFFAOYSA-N
HMDB39409,484.132924242,C20H24N2O12,OCC1OC(OC2(CC(=O)NC(CC(O)=O)C(O)=O)C(=O)NC3=C2C=CC=C3)C(O)C(O)C1O,"InChI=1S/C20H24N2O12/c23-7-11-14(27)15(28)16(29)18(33-11)34-20(8-3-1-2-4-9(8)22-19(20)32)6-12(24)21-10(17(30)31)5-13(25)26/h1-4,10-11,14-16,18,23,27-29H,5-7H2,(H,21,24)(H,22,32)(H,25,26)(H,30,31)",ANAVISFXAGVRIA,UHFFFAOYSA,N,"N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid",ANAVISFXAGVRIA-UHFFFAOYSA-N
HMDB39410,1380.65615661,C65H104O31,CC1OC(OCC2OC(OC3C(O)C(O)C(OC4C(O)C(O)COC4OC4C(O)C(OC5CCC6(C)C(CCC7(C)C6C=CC6C8CC(C)(C)CCC8(C)C=CC76C)C5(C)CO)OC(C4O)C(O)=O)OC3CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C65H104O31/c1-25-35(70)39(74)43(78)54(87-25)86-23-31-38(73)41(76)52(96-55-44(79)40(75)37(72)29(20-66)88-55)59(90-31)92-48-30(21-67)89-56(45(80)42(48)77)95-51-36(71)28(69)22-85-58(51)93-49-46(81)50(53(83)84)94-57(47(49)82)91-34-12-13-62(5)32(63(34,6)24-68)11-14-65(8)33(62)10-9-26-27-19-60(2,3)15-16-61(27,4)17-18-64(26,65)7/h9-10,17-18,25-52,54-59,66-82H,11-16,19-24H2,1-8H3,(H,83,84)",ZMDKFHXZYJWUIE,UHFFFAOYSA,N,Phaseoloside D,ZMDKFHXZYJWUIE-UHFFFAOYSA-N
HMDB39411,1704.76180347,C77H124O41,CC1OC(OCC2OC(OC3C(O)C(O)C(OC4C(O)C(O)COC4OC4C(O)C(OC5CCC6(C)C(CCC7(C)C6C=CC6C8CC(C)(C)CCC8(C)C=CC76C)C5(C)CO)OC(C4O)C(O)=O)OC3CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C77H124O41/c1-27-39(84)43(88)49(94)64(105-27)104-25-35-42(87)45(90)62(118-68-52(97)47(92)57(33(22-80)108-68)113-66-51(96)46(91)56(32(21-79)107-66)112-65-50(95)44(89)41(86)31(20-78)106-65)71(110-35)114-58-34(23-81)109-67(53(98)48(58)93)117-61-40(85)30(83)24-103-70(61)115-59-54(99)60(63(101)102)116-69(55(59)100)111-38-12-13-74(5)36(75(38,6)26-82)11-14-77(8)37(74)10-9-28-29-19-72(2,3)15-16-73(29,4)17-18-76(28,77)7/h9-10,17-18,27-62,64-71,78-100H,11-16,19-26H2,1-8H3,(H,101,102)",PZPHULADDDWLGC,UHFFFAOYSA,N,Phaseoloside E,PZPHULADDDWLGC-UHFFFAOYSA-N
HMDB39412,1104.571639122,C54H88O23,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3",MROYUZKXUGPCPD,UHFFFAOYSA,N,Araliasaponin V,MROYUZKXUGPCPD-UHFFFAOYSA-N
HMDB39413,942.518815692,C48H78O18,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-41-36(58)33(55)31(53)25(20-50)62-41)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-39-37(59)34(56)38(26(21-51)63-39)65-40-35(57)32(54)30(52)24(19-49)61-40/h8,23-41,49-59H,9-21H2,1-7H3",NAIMCEFAGOEXSH,UHFFFAOYSA,N,Calenduloside B,NAIMCEFAGOEXSH-UHFFFAOYSA-N
HMDB39414,1266.624462552,C60H98O28,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C60H98O28/c1-55(2)14-16-60(54(78)88-51-44(76)41(73)36(68)28(21-63)81-51)17-15-58(6)24(25(60)18-55)8-9-32-57(5)12-11-33(56(3,4)31(57)10-13-59(32,58)7)84-53-48(87-50-43(75)40(72)35(67)27(20-62)80-50)47(38(70)30(23-65)83-53)86-52-45(77)46(37(69)29(22-64)82-52)85-49-42(74)39(71)34(66)26(19-61)79-49/h8,25-53,61-77H,9-23H2,1-7H3",WMSZDXQCLFUBAQ,UHFFFAOYSA,N,Congmunoside X,WMSZDXQCLFUBAQ-UHFFFAOYSA-N
HMDB39415,1250.593162424,C59H94O28,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OCC(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C59H94O28/c1-54(2)14-16-59(53(77)87-51-42(73)38(69)35(66)28(82-51)22-79-48-40(71)36(67)33(64)26(19-60)80-48)17-15-57(6)23(24(59)18-54)8-9-30-56(5)12-11-31(55(3,4)29(56)10-13-58(30,57)7)83-52-43(74)44(84-50-41(72)37(68)34(65)27(20-61)81-50)45(46(86-52)47(75)76)85-49-39(70)32(63)25(62)21-78-49/h8,24-46,48-52,60-74H,9-22H2,1-7H3,(H,75,76)",VCKOESYEYAKTRT,UHFFFAOYSA,N,28-[Glucosyl-(1->6)-glucosyl]oleanolic acid 3-[glucosyl-(1->3)-[arabinosyl-(1->4)]-glucuronide],VCKOESYEYAKTRT-UHFFFAOYSA-N
HMDB39416,1560.719544726,C71H116O37,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C71H116O37/c1-66(2)14-16-71(65(94)108-62-53(92)48(87)42(81)34(103-62)25-97-59-50(89)45(84)39(78)30(20-73)99-59)17-15-69(6)26(27(71)18-66)8-9-36-68(5)12-11-37(67(3,4)35(68)10-13-70(36,69)7)104-64-57(107-61-52(91)47(86)41(80)33(102-61)24-96-58-49(88)44(83)38(77)29(19-72)98-58)55(28(76)23-95-64)105-63-54(93)56(43(82)32(22-75)101-63)106-60-51(90)46(85)40(79)31(21-74)100-60/h8,27-64,72-93H,9-25H2,1-7H3",BIHRHVZSOZTEPC,UHFFFAOYSA,N,Congmunoside XIII,BIHRHVZSOZTEPC-UHFFFAOYSA-N
HMDB39417,1398.666721296,C65H106O32,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C65H106O32/c1-60(2)14-16-65(59(85)97-57-50(84)45(79)40(74)32(93-57)24-88-54-47(81)42(76)37(71)29(20-67)90-54)17-15-63(6)25(26(65)18-60)8-9-34-62(5)12-11-35(61(3,4)33(62)10-13-64(34,63)7)94-58-52(51(27(69)22-86-58)95-55-48(82)43(77)38(72)30(21-68)91-55)96-56-49(83)44(78)39(73)31(92-56)23-87-53-46(80)41(75)36(70)28(19-66)89-53/h8,26-58,66-84H,9-24H2,1-7H3",XYUAQIXBEQTBRE,UHFFFAOYSA,N,Congmunoside XII,XYUAQIXBEQTBRE-UHFFFAOYSA-N
HMDB39418,1144.60293925,C57H92O23,CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O,"InChI=1S/C57H92O23/c1-9-10-21-72-46(70)44-42(69)43(77-48-40(67)37(64)35(62)29(23-58)74-48)45(79-47-39(66)34(61)28(60)25-73-47)50(78-44)76-33-14-15-54(6)31(53(33,4)5)13-16-56(8)32(54)12-11-26-27-22-52(2,3)17-19-57(27,20-18-55(26,56)7)51(71)80-49-41(68)38(65)36(63)30(24-59)75-49/h11,27-45,47-50,58-69H,9-10,12-25H2,1-8H3",ITUZCAGKIFGPEA,UHFFFAOYSA,N,Congmunoside XIV,ITUZCAGKIFGPEA-UHFFFAOYSA-N
HMDB39419,926.487515564,C47H74O18,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-34(56)30(52)29(51)24(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(32(54)31(53)35(63-40)37(57)58)64-38-33(55)28(50)23(49)20-60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)",YTPBUIWNJRGZFW,UHFFFAOYSA,N,Cynarasaponin H,YTPBUIWNJRGZFW-UHFFFAOYSA-N
HMDB39420,940.503165628,C48H76O18,COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1O,"InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-35(57)31(53)30(52)25(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-37(33(55)32(54)36(64-41)38(58)60-8)65-39-34(56)29(51)24(50)21-61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3",UTOALNGAUDOJKI,UHFFFAOYSA,N,28-Glucosyloleanolic acid 3-[arabinosyl-(1->2)-6-methylglucuronide],UTOALNGAUDOJKI-UHFFFAOYSA-N
HMDB39421,663.109121631,C21H27N7O14P2,NC(=O)C1=NC(=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,"InChI=1S/C21H27N7O14P2/c22-18-12-20(25-6-24-18)28(7-26-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-2-1-3-9(27-8)19(23)33/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1",LFERELMXERXKKQ,KMXXXSRASA,N,Fenugreekine,LFERELMXERXKKQ-KMXXXSRASA-N
HMDB39422,1082.443079299,C48H64N11O18,C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)C[NH3+])[C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(O)=O,"InChI=1S/C48H63N11O18/c1-23(60)40(46(75)51-21-36(64)57-41(24(2)61)47(76)55-32(42(71)52-22-39(69)70)17-26-20-50-29-7-4-3-6-28(26)29)58-43(72)30(13-14-37(65)66)54-45(74)34-8-5-15-59(34)48(77)33(18-38(67)68)56-44(73)31(53-35(63)19-49)16-25-9-11-27(62)12-10-25/h3-4,6-7,9-12,20,23-24,30-34,40-41,50,60-62H,5,8,13-19,21-22,49H2,1-2H3,(H,51,75)(H,52,71)(H,53,63)(H,54,74)(H,55,76)(H,56,73)(H,57,64)(H,58,72)(H,65,66)(H,67,68)(H,69,70)/p+1/t23-,24-,30+,31+,32+,33+,34+,40+,41+/m1/s1",YYYJTUAEGPSBSQ,GZCAAYOFSA,O,Graecunin D,YYYJTUAEGPSBSQ-GZCAAYOFSA-O
HMDB39423,303.143035419,C12H21N3O6,CC(=O)NCCCC(NC(=O)CCC(N)C(O)=O)C(O)=O,"InChI=1S/C12H21N3O6/c1-7(16)14-6-2-3-9(12(20)21)15-10(17)5-4-8(13)11(18)19/h8-9H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)",JAAJGIIASALJIT,UHFFFAOYSA,N,N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,JAAJGIIASALJIT-UHFFFAOYSA-N
HMDB39424,393.120585417,C14H23N3O8S,CSCC(NC(=O)CCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C14H23N3O8S/c1-26-6-9(14(24)25)17-11(19)5-3-8(13(22)23)16-10(18)4-2-7(15)12(20)21/h7-9H,2-6,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)",GKIHDWYFYBDIIK,UHFFFAOYSA,N,(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,GKIHDWYFYBDIIK-UHFFFAOYSA-N
HMDB39425,426.349780716,C29H46O2,CCC(\C=C\C(C)C1CCC2C3CC(O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25,27,31H,7,10-15,17H2,1-6H3/b9-8+",FFKIQLXJMQUBQZ,CMDGGOBGSA,N,"(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one",FFKIQLXJMQUBQZ-CMDGGOBGSA-N
HMDB39426,87.032028409,C3H5NO2,O=C1CCON1,"InChI=1S/C3H5NO2/c5-3-1-2-6-4-3/h1-2H2,(H,4,5)",QXDOFVVNXBGLKK,UHFFFAOYSA,N,3-Isoxazolidinone,QXDOFVVNXBGLKK-UHFFFAOYSA-N
HMDB39427,196.073558872,C10H12O4,COC1=CC=C(CC(O)C(O)=O)C=C1,"InChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)",GEDLJGYFEOYKEG,UHFFFAOYSA,N,2-Hydroxy-3-(4-methoxyphenyl)propanoic acid,GEDLJGYFEOYKEG-UHFFFAOYSA-N
HMDB39428,210.089208936,C11H14O4,COC(CC1=CC=C(OC)C=C1)C(O)=O,"InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-9)7-10(15-2)11(12)13/h3-6,10H,7H2,1-2H3,(H,12,13)",OGJKUGGZOYNPSS,UHFFFAOYSA,N,2-Methoxy-3-(4-methoxyphenyl)propanoic acid,OGJKUGGZOYNPSS-UHFFFAOYSA-N
HMDB39429,216.231396916,C11H28N4,NCCCCNCCCNCCCCN,"InChI=1S/C11H28N4/c12-6-1-3-8-14-10-5-11-15-9-4-2-7-13/h14-15H,1-13H2",RZOHQCYUTFAJLA,UHFFFAOYSA,N,Canavalmine,RZOHQCYUTFAJLA-UHFFFAOYSA-N
HMDB39430,244.073558872,C14H12O4,OC1=CC(O)=C2C(CCC3=CC(O)=C(O)C=C23)=C1,"InChI=1S/C14H12O4/c15-9-3-8-2-1-7-4-11(16)12(17)6-10(7)14(8)13(18)5-9/h3-6,15-18H,1-2H2",NIGUICNPKCJLJQ,UHFFFAOYSA,N,"9,10-Dihydro-2,3,5,7-Phenanthrenetetrol",NIGUICNPKCJLJQ-UHFFFAOYSA-N
HMDB39431,201.907303642,C3H6S5,C1SCSSCSS1,InChI=1S/C3H6S5/c1-4-2-6-8-3-7-5-1/h1-3H2,QFHGOPGLIADNQA,UHFFFAOYSA,N,"1,2,4,5,7-Pentathiocane",QFHGOPGLIADNQA-UHFFFAOYSA-N
HMDB39432,233.879374332,C3H6S6,C1SSCSSCSS1,InChI=1S/C3H6S6/c1-4-6-2-8-9-3-7-5-1/h1-3H2,BWXFNUCDJXXBHX,UHFFFAOYSA,N,"1,2,4,5,7,8-Hexathionane",BWXFNUCDJXXBHX-UHFFFAOYSA-N
HMDB39433,123.947512198,C2H4S3,C1SCSS1,InChI=1S/C2H4S3/c1-3-2-5-4-1/h1-2H2,QHGFEUAAQKJXDI,UHFFFAOYSA,N,"1,2,4-Trithiolane",QHGFEUAAQKJXDI-UHFFFAOYSA-N
HMDB39434,691.444803311,C42H61NO7,CC1CC23CCC4(O2)OC(CCC4(C)O)CC(=C)CCCC2=NCC(C)CCC22CCC(C4OC(=O)C(C)=C4)=C(C)C2\C=C(C)\C(O)CC1O3,"InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(15-11-26(2)24-43-37)16-13-32(36-21-28(4)38(45)47-36)30(6)33(40)20-27(3)34(44)22-35-29(5)23-41(49-35)17-18-42(50-41)39(7,46)14-12-31(19-25)48-42/h20-21,26,29,31,33-36,44,46H,1,8-19,22-24H2,2-7H3/b27-20+",NLUTVFJROHNTFD,NHFJDJAPSA,N,Spirolide A,NLUTVFJROHNTFD-NHFJDJAPSA-N
HMDB39435,1130.144789876,C51H38O30,CC(=O)OC1COC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C(=O)OC1C1OC(=O)C2=C3C4C5=C(C(C1OC5=O)C1=C(O)C=C(O)C5=C1OC(C(O)C5)C1=CC(O)=C(O)C(O)=C1)C(=O)C(O)(O)C4(O)OC3=C(O)C(O)=C2,"InChI=1S/C51H38O30/c1-10(52)76-24-9-75-46(68)13-5-20(57)34(62)37(65)25(13)26-14(6-21(58)35(63)38(26)66)47(69)78-41(24)44-43-29(28-17(54)8-16(53)12-4-23(60)39(77-40(12)28)11-2-18(55)33(61)19(56)3-11)30-31(49(71)79-43)32-27-15(48(70)80-44)7-22(59)36(64)42(27)81-51(32,74)50(72,73)45(30)67/h2-3,5-8,23-24,29,32,39,41,43-44,53-66,72-74H,4,9H2,1H3",WHRSRDKZTDJREL,UHFFFAOYSA,N,Guavin C,WHRSRDKZTDJREL-UHFFFAOYSA-N
HMDB39436,670.429212826,C36H62O11,CC(C)(OO)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C,"InChI=1S/C36H62O11/c1-31(2,47-44)12-9-13-36(8,46-30-28(43)27(42)26(41)22(18-37)45-30)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(40)32(3,4)29(33)21(39)17-35(23,34)7/h9,12,19-30,37-44H,10-11,13-18H2,1-8H3/b12-9+",JFTBERIHMIFXML,FMIVXFBMSA,N,Ginsenoside Rh6,JFTBERIHMIFXML-FMIVXFBMSA-N
HMDB39437,112.016043994,C5H4O3,OC1=C(O)C(=O)C=C1,"InChI=1S/C5H4O3/c6-3-1-2-4(7)5(3)8/h1-2H,(H2,6,7,8)",RUOZZXHSVNXNKB,UHFFFAOYSA,N,"2,3-Dihydroxy-2,4-cyclopentadien-1-one",RUOZZXHSVNXNKB-UHFFFAOYSA-N
HMDB39438,338.151809192,C21H22O4,COC1=C(CC=C(C)C)C(O)=C(C(O)=O)C(\C=C\C2=CC=CC=C2)=C1,"InChI=1S/C21H22O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-11,13,22H,12H2,1-3H3,(H,23,24)/b11-10+",XPDYDSQPCFQSLH,ZHACJKMWSA,N,2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid,XPDYDSQPCFQSLH-ZHACJKMWSA-N
HMDB39439,338.151809192,C21H22O4,COC1=CC(O)=C(C(O)=O)C(\C=C\C2=CC=CC=C2)=C1CC=C(C)C,"InChI=1S/C21H22O4/c1-14(2)9-11-16-17(12-10-15-7-5-4-6-8-15)20(21(23)24)18(22)13-19(16)25-3/h4-10,12-13,22H,11H2,1-3H3,(H,23,24)/b12-10+",DFMCTODOEICLEB,ZRDIBKRKSA,N,6-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-2-(2-phenylethenyl)benzoic acid,DFMCTODOEICLEB-ZRDIBKRKSA-N
HMDB39440,426.386166222,C30H50O,C\C=C(\CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3)C(C)C,"InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,19-21,24-26,28,31H,9-18H2,1-7H3/b22-8-",MPTIJFTWLPEOOP,UYOCIXKTSA,N,"(3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-8,24(28)-dien-3-ol",MPTIJFTWLPEOOP-UYOCIXKTSA-N
HMDB39441,336.230059512,C20H32O4,CC(CCC1(C)C(C)CCC2C1=CCCC2(C)C(O)=O)CC(O)=O,"InChI=1S/C20H32O4/c1-13(12-17(21)22)9-11-19(3)14(2)7-8-16-15(19)6-5-10-20(16,4)18(23)24/h6,13-14,16H,5,7-12H2,1-4H3,(H,21,22)(H,23,24)",RGUIVLSKJWVPDX,UHFFFAOYSA,N,"ent-1(10)-Halimene-15,19-dioic acid",RGUIVLSKJWVPDX-UHFFFAOYSA-N
HMDB39442,316.203844762,C20H28O3,CC1CCC2C(=CCCC2(C)C(O)=O)C1(C)CCC1=COC=C1,"InChI=1S/C20H28O3/c1-14-6-7-17-16(5-4-10-20(17,3)18(21)22)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)",ULDQVWIHFPQAFF,UHFFFAOYSA,N,"ent-15,16-Epoxy-1(10),13(16),14-halimatrien-19-oic acid",ULDQVWIHFPQAFF-UHFFFAOYSA-N
HMDB39443,476.350174646,C29H48O5,CC(C(O)C(O)C(=C)C(C)(C)C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C29H48O5/c1-15(25(33)26(34)16(2)27(3,4)5)18-8-9-19-17-12-22(30)21-13-23(31)24(32)14-29(21,7)20(17)10-11-28(18,19)6/h15,17-21,23-26,31-34H,2,8-14H2,1,3-7H3",HAOQPQZVDMAOKT,UHFFFAOYSA,N,"(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one",HAOQPQZVDMAOKT-UHFFFAOYSA-N
HMDB39444,414.386166222,C29H50O,CC(C)C(C)CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C,"InChI=1S/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18-21,23-27,30H,8-9,11-17H2,1-7H3",AOQRDALGACAKHI,UHFFFAOYSA,N,24alpha-Methyllophenol,AOQRDALGACAKHI-UHFFFAOYSA-N
HMDB39445,426.386166222,C30H50O,CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC4(C)C3=CCC12C,"InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h14,19,21-24,26-27,31H,3,9-13,15-18H2,1-2,4-8H3",FPGXQODNUNHTTC,UHFFFAOYSA,N,"(3beta,4alpha,5alpha)-4,14-Dimethylergosta-9(11),24(28)-dien-3-ol",FPGXQODNUNHTTC-UHFFFAOYSA-N
HMDB39446,636.423733518,C36H60O9,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CC(O)C21C,"InChI=1S/C36H60O9/c1-19(2)10-9-13-35(7,45-31-30(43)29(42)28(41)22(18-37)44-31)20-11-15-34(6)27(20)21(38)16-24-33(5)14-12-25(39)32(3,4)23(33)17-26(40)36(24,34)8/h10,17,20-22,24-31,37-43H,9,11-16,18H2,1-8H3",ARPGURKWJGBPTN,UHFFFAOYSA,N,Ginsenoside Rh7,ARPGURKWJGBPTN-UHFFFAOYSA-N
HMDB39447,160.037173366,C6H8O5,CC(CC(=O)C(O)=O)C(O)=O,"InChI=1S/C6H8O5/c1-3(5(8)9)2-4(7)6(10)11/h3H,2H2,1H3,(H,8,9)(H,10,11)",AVSMSTWODLACGT,UHFFFAOYSA,N,2-Methyl-4-oxopentanedioic acid,AVSMSTWODLACGT-UHFFFAOYSA-N
HMDB39448,824.419436,C42H64O16,CC12CCC(C)(CC1C1=CCC3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5O)C(O)=O)C(O)=O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O,"InChI=1S/C42H64O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7,20-31,34-35,43-48H,8-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)",SLWCVFLNZDOMEZ,UHFFFAOYSA,N,Licoricesaponin J2,SLWCVFLNZDOMEZ-UHFFFAOYSA-N
HMDB39449,270.05282343,C15H10O5,OC(=O)C1=CC(O)=C2C(CC3=C(C(O)=CC=C3)C2=O)=C1,"InChI=1S/C15H10O5/c16-10-3-1-2-7-4-8-5-9(15(19)20)6-11(17)13(8)14(18)12(7)10/h1-3,5-6,16-17H,4H2,(H,19,20)",OZFQHULMMDWMIV,UHFFFAOYSA,N,Rheinanthrone,OZFQHULMMDWMIV-UHFFFAOYSA-N
HMDB39450,734.23632668,C42H38O12,COC1=C(O)C=CC(\C=C\C(\O)=C\C(=O)C2C(OC(\C=C\C3=CC(OC)=C(O)C=C3)=C2C(=O)\C=C\C2=CC(OC)=C(O)C=C2)C2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C42H38O12/c1-50-36-19-24(6-13-29(36)44)5-12-28(43)23-34(49)41-40(33(48)16-9-25-7-14-30(45)37(20-25)51-2)35(18-10-26-8-15-31(46)38(21-26)52-3)54-42(41)27-11-17-32(47)39(22-27)53-4/h5-23,41-47H,1-4H3/b12-5+,16-9+,18-10+,28-23-",YOTQIACVMONCAH,QWCKBZOHSA,N,Curcumin dimer 1,YOTQIACVMONCAH-QWCKBZOHSA-N
HMDB39451,734.23632668,C42H38O12,COC1=CC(\C=C\C(=O)\C=C(/O)\C=C\C2=CC(OC)=C(O)C=C2)=CC2=C1OC(C2C(=O)\C=C(/O)\C=C\C1=CC(OC)=C(O)C=C1)C1=CC(OC)=C(O)C=C1,"InChI=1S/C42H38O12/c1-50-36-18-24(8-14-32(36)46)5-11-28(43)22-29(44)13-7-26-17-31-40(35(49)23-30(45)12-6-25-9-15-33(47)37(19-25)51-2)41(54-42(31)39(20-26)53-4)27-10-16-34(48)38(21-27)52-3/h5-23,40-41,43,45-48H,1-4H3/b11-5+,12-6+,13-7+,28-22-,30-23-",WMWGFPUXLILEPL,IFZVDEKFSA,N,Curcumin dimer 2,WMWGFPUXLILEPL-IFZVDEKFSA-N
HMDB39452,734.23632668,C42H38O12,COC1=CC(\C=C\C(\O)=C\C(=O)C2C(O\C(=C/C(=O)/C=C/C3=CC(OC)=C(O)C=C3)\C\2=C\C2=CC(OC)=C(O)C=C2)C2=CC=C(O)C(OC)=C2)=CC=C1O,"InChI=1S/C42H38O12/c1-50-37-18-24(7-13-31(37)45)5-11-28(43)22-35(49)41-30(17-26-9-15-33(47)39(20-26)52-3)36(54-42(41)27-10-16-34(48)40(21-27)53-4)23-29(44)12-6-25-8-14-32(46)38(19-25)51-2/h5-23,41-43,45-48H,1-4H3/b11-5+,12-6+,28-22-,30-17-,36-23-",HJALWSMTAVUJGY,JBZHRJFQSA,N,Curcumin dimer 3,HJALWSMTAVUJGY-JBZHRJFQSA-N
HMDB39453,580.47028978,C35H64O6,CCCCCCCC(O)C(O)CCCCC(O)C1CCC(CCCCCCCCCCCCC2=CC(C)OC2=O)O1,"InChI=1S/C35H64O6/c1-3-4-5-12-17-22-31(36)32(37)23-18-19-24-33(38)34-26-25-30(41-34)21-16-14-11-9-7-6-8-10-13-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3",LZWAOCORLSBLAU,UHFFFAOYSA,N,Muricin H,LZWAOCORLSBLAU-UHFFFAOYSA-N
HMDB39454,654.319268448,C40H46O8,COC1=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=CC(=C1O)C1=C(O)C(OC)=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=C1,"InChI=1S/C40H46O8/c1-23(11-27-7-9-33-35(17-27)47-21-45-33)25(3)13-29-15-31(39(41)37(19-29)43-5)32-16-30(20-38(44-6)40(32)42)14-26(4)24(2)12-28-8-10-34-36(18-28)48-22-46-34/h7-10,15-20,23-26,41-42H,11-14,21-22H2,1-6H3",CZIXJKXAQLINMJ,UHFFFAOYSA,N,Argenteane,CZIXJKXAQLINMJ-UHFFFAOYSA-N
HMDB39455,215.094628665,C13H13NO2,ON1CC(CC2=CC=CC=C2)=C(C=O)C=C1,"InChI=1S/C13H13NO2/c15-10-12-6-7-14(16)9-13(12)8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2",PHSAQLJHWJOCBJ,UHFFFAOYSA,N,Macaridine,PHSAQLJHWJOCBJ-UHFFFAOYSA-N
HMDB39456,570.272986958,C34H38N2O6,O=C(\C=C\C1C(C(\C=C\C(=O)N2CCCCC2)C1C1=CC=C2OCOC2=C1)C1=CC2=C(OCO2)C=C1)N1CCCCC1,"InChI=1S/C34H38N2O6/c37-31(35-15-3-1-4-16-35)13-9-25-33(23-7-11-27-29(19-23)41-21-39-27)26(10-14-32(38)36-17-5-2-6-18-36)34(25)24-8-12-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,33-34H,1-6,15-18,21-22H2/b13-9+,14-10+",WXSSVJXPONXCFP,UTLPMFLDSA,N,Dipiperamide A,WXSSVJXPONXCFP-UTLPMFLDSA-N
HMDB39457,556.257336894,C33H36N2O6,O=C(C1C(\C=C\C2=CC3=C(OCO3)C=C2)C(\C=C\C2=CC3=C(OCO3)C=C2)C1C(=O)N1CCCCC1)N1CCCC1,"InChI=1S/C33H36N2O6/c36-32(34-14-2-1-3-15-34)30-24(10-6-22-8-12-26-28(18-22)40-20-38-26)25(31(30)33(37)35-16-4-5-17-35)11-7-23-9-13-27-29(19-23)41-21-39-27/h6-13,18-19,24-25,30-31H,1-5,14-17,20-21H2/b10-6+,11-7+",MCEKBNRLKGLRNJ,JMQWPVDRSA,N,Dipiperamide C,MCEKBNRLKGLRNJ-JMQWPVDRSA-N
HMDB39458,305.88274515,C6H10S7,C=CCSSSSSSSCC=C,"InChI=1S/C6H10S7/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4H,1-2,5-6H2",GSEBMLLGHBSQFW,UHFFFAOYSA,N,Di-2-propenyl heptasulfide,GSEBMLLGHBSQFW-UHFFFAOYSA-N
HMDB39459,241.93860377,C6H10S5,C=CCSSSSSCC=C,"InChI=1S/C6H10S5/c1-3-5-7-9-11-10-8-6-4-2/h3-4H,1-2,5-6H2",CPDTWYIIHJBBCB,UHFFFAOYSA,N,Di-2-propenyl pentasulfide,CPDTWYIIHJBBCB-UHFFFAOYSA-N
HMDB39460,273.91067446,C6H10S6,C=CCSSSSSSCC=C,"InChI=1S/C6H10S6/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-6H2",RUEMHHSAZHTSOK,UHFFFAOYSA,N,Di-2-propenyl hexasulfide,RUEMHHSAZHTSOK-UHFFFAOYSA-N
HMDB39461,140.120115134,C9H16O,CC(C)CC\C=C\C(C)=O,"InChI=1S/C9H16O/c1-8(2)6-4-5-7-9(3)10/h5,7-8H,4,6H2,1-3H3/b7-5+",QFSMRIFNMXHJQK,FNORWQNLSA,N,7-Methyl-3-octen-2-one,QFSMRIFNMXHJQK-FNORWQNLSA-N
HMDB39462,866.169428906,C44H34O19,OC1C(OC2=CC(O)=CC(O)=C2C1C1=C(O)C2=C(OC(C(C2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C=C2)C=C1O)C1=CC=C(O)C=C1,"InChI=1S/C44H34O19/c45-20-4-1-16(2-5-20)42-40(57)36(34-24(48)12-21(46)13-32(34)61-42)35-25(49)15-30-22(37(35)54)14-33(63-44(59)19-9-28(52)39(56)29(53)10-19)41(60-30)17-3-6-23(47)31(11-17)62-43(58)18-7-26(50)38(55)27(51)8-18/h1-13,15,33,36,40-42,45-57H,14H2",IZXCBTVNQUYTED,UHFFFAOYSA,N,"Epiafzelechin-(4beta->6)-epicatechin 3,3'-digallate",IZXCBTVNQUYTED-UHFFFAOYSA-N
HMDB39463,420.360345402,C27H48O3,CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C27H48O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3",FHSVMYDBGPVTTJ,UHFFFAOYSA,N,"(3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol",FHSVMYDBGPVTTJ-UHFFFAOYSA-N
HMDB39464,250.033350316,C9H14O4S2,C=CCOS(=O)(=O)OC\C=C\SCC=C,"InChI=1S/C9H14O4S2/c1-3-6-12-15(10,11)13-7-5-9-14-8-4-2/h3-5,9H,1-2,6-8H2/b9-5+",LRKSHTQJEZSHGG,WEVVVXLNSA,N,(E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate,LRKSHTQJEZSHGG-WEVVVXLNSA-N
HMDB39465,146.07653576,C7H14OS,CCCCCC(=O)SC,"InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3",AKGAHYLJHAOPKQ,UHFFFAOYSA,N,S-Methyl hexanethioate,AKGAHYLJHAOPKQ-UHFFFAOYSA-N
HMDB39466,174.107835888,C9H18OS,CCCCCC(=O)SCCC,"InChI=1S/C9H18OS/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3",XWEXGRZJPGGXCY,UHFFFAOYSA,N,Hexanethioic acid S-propyl ester,XWEXGRZJPGGXCY-UHFFFAOYSA-N
HMDB39467,172.092185824,C9H16OS,CCCCCC(=O)SCC=C,"InChI=1S/C9H16OS/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3",TVKQYQGVHJUGJH,UHFFFAOYSA,N,Allyl thiohexanoate,TVKQYQGVHJUGJH-UHFFFAOYSA-N
HMDB39468,146.07653576,C7H14OS,CSC(=O)CCC(C)C,"InChI=1S/C7H14OS/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3",JOCKEOCKSBOIQA,UHFFFAOYSA,N,S-Methyl 4-methylpentanethioate,JOCKEOCKSBOIQA-UHFFFAOYSA-N
HMDB39469,348.178417872,C16H28O8,CC1(O)CCC(CC1OC1OC(CO)C(O)C(O)C1O)C(=C)CO,"InChI=1S/C16H28O8/c1-8(6-17)9-3-4-16(2,22)11(5-9)24-15-14(21)13(20)12(19)10(7-18)23-15/h9-15,17-22H,1,3-7H2,2H3",DDQFHDNWZKJNLC,UHFFFAOYSA,N,"(1S,2S,4R)-p-Menth-8-ene-1,2,10-triol 2-glucoside",DDQFHDNWZKJNLC-UHFFFAOYSA-N
HMDB39470,188.141244506,C10H20O3,CC(CO)C1CCC(C)(O)C(O)C1,"InChI=1S/C10H20O3/c1-7(6-11)8-3-4-10(2,13)9(12)5-8/h7-9,11-13H,3-6H2,1-2H3",JHIDFPUXRICDSW,UHFFFAOYSA,N,"(1S,2S,4R,8R)-p-Menthane-1,2,9-triol",JHIDFPUXRICDSW-UHFFFAOYSA-N
HMDB39471,178.062994186,C10H10O3,COC1=C(\C=C\C=O)C=CC(O)=C1,"InChI=1S/C10H10O3/c1-13-10-7-9(12)5-4-8(10)3-2-6-11/h2-7,12H,1H3/b3-2+",MRCGVXARHKOYKU,NSCUHMNNSA,N,3-(4-Hydroxy-2-methoxyphenyl)-2-propenal,MRCGVXARHKOYKU-NSCUHMNNSA-N
HMDB39472,542.151809192,C38H22O4,OC1=C(C2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=CC=C1)C1=C(O)C(=O)C2=C(C=CC3=C2C1=CC=C3)C1=CC=CC=C1,"InChI=1S/C38H22O4/c39-35-31-25(21-9-3-1-4-10-21)19-17-23-13-7-15-27(29(23)31)33(37(35)41)34-28-16-8-14-24-18-20-26(22-11-5-2-6-12-22)32(30(24)28)36(40)38(34)42/h1-20,41-42H",OSRDPAQFDDSKQU,UHFFFAOYSA,N,"3,3'-Bisanigorufone",OSRDPAQFDDSKQU-UHFFFAOYSA-N
HMDB39473,360.142032366,C16H24O9,COC1=C(CC(O)CO)C=CC(OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C16H24O9/c1-23-11-5-10(3-2-8(11)4-9(19)6-17)24-16-15(22)14(21)13(20)12(7-18)25-16/h2-3,5,9,12-22H,4,6-7H2,1H3",VXXKDWBEVHGANN,UHFFFAOYSA,N,"2'-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4'-glucoside",VXXKDWBEVHGANN-UHFFFAOYSA-N
HMDB39474,1402.749663064,C70H114O28,CC1OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C(OC2OC(COC3OC(C)C(O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C1O,"InChI=1S/C70H114O28/c1-13-69(11,97-67-57(83)53(79)50(76)45(32-71)92-67)28-18-26-37(4)21-15-20-36(3)23-17-25-40(7)34-88-64-60(86)62(49(75)43(10)90-64)96-66-56(82)55(81)52(78)47(94-66)35-89-65-59(85)61(48(74)42(9)91-65)95-63(87)41(8)31-44(73)30-39(6)24-16-22-38(5)27-19-29-70(12,14-2)98-68-58(84)54(80)51(77)46(33-72)93-68/h13-14,20,24-27,31,42-62,64-68,71-86H,1-2,15-19,21-23,28-30,32-35H2,3-12H3/b36-20+,37-26+,38-27+,39-24+,40-25-,41-31+",CTMGCBZTYRLGIU,CLLGTIJNSA,N,Capsianoside H,CTMGCBZTYRLGIU-CLLGTIJNSA-N
HMDB39475,356.13186161,C13H24O11,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O,"InChI=1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13-/m1/s1",WFSVEMFCPALUBB,GDYURJOXSA,N,Galactopinitol A,WFSVEMFCPALUBB-GDYURJOXSA-N
HMDB39476,1436.645985854,C67H104O33,CC(=O)OCC1OC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OC(CO)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C67H104O33/c1-26(71)87-24-35-48(89-27(2)72)52(90-28(3)73)53(91-29(4)74)61(94-35)96-47-32(75)23-88-57(46(47)83)100-55-54(84)62(5,6)20-31-30-12-13-37-64(8)16-15-38(65(9,25-70)36(64)14-17-67(37,11)66(30,10)19-18-63(31,55)7)95-60-51(44(81)43(80)49(97-60)56(85)86)99-59-50(42(79)40(77)34(22-69)93-59)98-58-45(82)41(78)39(76)33(21-68)92-58/h12,31-55,57-61,68-70,75-84H,13-25H2,1-11H3,(H,85,86)",YZNCIXVBVQRGQN,UHFFFAOYSA,N,Acetylsoyasaponin A1,YZNCIXVBVQRGQN-UHFFFAOYSA-N
HMDB39477,1274.593162424,C61H94O28,CC(=O)OCC1OC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C61H94O28/c1-25(64)78-23-33-44(80-26(2)65)47(81-27(3)66)48(82-28(4)67)55(84-33)86-43-31(68)22-79-52(42(43)74)89-50-49(75)56(5,6)20-30-29-12-13-35-58(8)16-15-36(59(9,24-63)34(58)14-17-61(35,11)60(29,10)19-18-57(30,50)7)85-54-46(40(72)39(71)45(87-54)51(76)77)88-53-41(73)38(70)37(69)32(21-62)83-53/h12,30-50,52-55,62-63,68-75H,13-24H2,1-11H3,(H,76,77)",DOSMRIGRPILHCA,UHFFFAOYSA,N,Acetylsoyasaponin A2,DOSMRIGRPILHCA-UHFFFAOYSA-N
HMDB39478,1172.561468366,C57H88O25,CC(=O)OC1COC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C57H88O25/c1-24(59)75-31-22-74-50(44(77-26(3)61)41(31)76-25(2)60)79-40-30(63)21-73-49(39(40)68)82-46-45(69)52(4,5)19-28-27-11-12-33-54(7)15-14-34(55(8,23-58)32(54)13-16-57(33,10)56(27,9)18-17-53(28,46)6)78-51-43(37(66)36(65)42(80-51)47(70)71)81-48-38(67)35(64)29(62)20-72-48/h11,28-46,48-51,58,62-69H,12-23H2,1-10H3,(H,70,71)",NYYNWFSJUAJYCV,UHFFFAOYSA,N,Acetylsoyasaponin A6,NYYNWFSJUAJYCV-UHFFFAOYSA-N
HMDB39479,1244.582597738,C60H92O27,CC(=O)OCC1OC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C60H92O27/c1-25(62)76-23-33-43(79-26(2)63)46(80-27(3)64)47(81-28(4)65)54(82-33)84-42-32(67)22-78-52(41(42)72)87-49-48(73)55(5,6)20-30-29-12-13-35-57(8)16-15-36(58(9,24-61)34(57)14-17-60(35,11)59(29,10)19-18-56(30,49)7)83-53-45(39(70)38(69)44(85-53)50(74)75)86-51-40(71)37(68)31(66)21-77-51/h12,30-49,51-54,61,66-73H,13-24H2,1-11H3,(H,74,75)",UDWZSXHXZXHZJR,UHFFFAOYSA,N,Acetylsoyasaponin A3,UDWZSXHXZXHZJR-UHFFFAOYSA-N
HMDB39480,1202.572033052,C58H90O26,CC(=O)OC1COC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C58H90O26/c1-24(61)76-31-22-75-51(45(78-26(3)63)42(31)77-25(2)62)81-41-29(64)21-74-49(40(41)70)84-47-46(71)53(4,5)19-28-27-11-12-33-55(7)15-14-34(56(8,23-60)32(55)13-16-58(33,10)57(27,9)18-17-54(28,47)6)80-52-44(38(68)37(67)43(82-52)48(72)73)83-50-39(69)36(66)35(65)30(20-59)79-50/h11,28-47,49-52,59-60,64-71H,12-23H2,1-10H3,(H,72,73)",ONYGLIKHHLDSEF,UHFFFAOYSA,N,Acetylsoyasaponin A5,ONYGLIKHHLDSEF-UHFFFAOYSA-N
HMDB39481,1364.624856482,C64H100O31,CC(=O)OC1COC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OC(CO)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C64H100O31/c1-25(68)85-33-23-84-56(50(87-27(3)70)46(33)86-26(2)69)91-45-30(71)22-83-54(44(45)79)95-52-51(80)59(4,5)19-29-28-11-12-35-61(7)15-14-36(62(8,24-67)34(61)13-16-64(35,10)63(28,9)18-17-60(29,52)6)90-58-49(42(77)41(76)47(92-58)53(81)82)94-57-48(40(75)38(73)32(21-66)89-57)93-55-43(78)39(74)37(72)31(20-65)88-55/h11,29-52,54-58,65-67,71-80H,12-24H2,1-10H3,(H,81,82)",KBGJRGWLUHSDLW,UHFFFAOYSA,N,Acetylsoyasaponin A4,KBGJRGWLUHSDLW-UHFFFAOYSA-N
HMDB39482,1064.540338994,C51H84O23,CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3",GMCGZPQYTRHQRU,UHFFFAOYSA,N,Trigofoenoside D,GMCGZPQYTRHQRU-UHFFFAOYSA-N
HMDB39483,902.487515564,C45H74O18,CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3",KNZSXKKCTOYLSV,UHFFFAOYSA,N,Trigofoenoside A,KNZSXKKCTOYLSV-UHFFFAOYSA-N
HMDB39484,316.203844762,C20H28O3,CC12CCCC(C)(C1C(C=O)C13CC(CCC21)C(=C)C3)C(O)=O,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)",ZCTUNYRXJKLWPY,UHFFFAOYSA,N,Gibberellin A12 7-aldehyde,ZCTUNYRXJKLWPY-UHFFFAOYSA-N
HMDB39485,920.49808025,C45H76O19,CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H76O19/c1-18(17-58-40-36(54)34(52)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-38(56)35(53)39(29(16-47)62-42)63-41-37(55)33(51)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3",ZMKYPBQLTKXGFT,UHFFFAOYSA,N,Trigofoenoside B,ZMKYPBQLTKXGFT-UHFFFAOYSA-N
HMDB39486,302.224580204,C20H30O2,CC12CCCC(C)(C1CCC(=C)C2CCC(=C)C=C)C(O)=O,"InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,16-17H,1-3,7-13H2,4-5H3,(H,21,22)",JEGUVXRNDRXUDN,UHFFFAOYSA,N,"ent-8(17),13(16),14-Labdatrien-18-oic acid",JEGUVXRNDRXUDN-UHFFFAOYSA-N
HMDB39487,988.487909494,C48H76O21,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O,"InChI=1S/C48H76O21/c1-43(2)11-13-48(42(62)63)14-12-45(4)20(21(48)15-43)7-8-26-44(3)16-22(51)37(47(6,41(60)61)27(44)9-10-46(26,45)5)69-40-35(59)36(30(54)24(18-50)66-40)68-39-34(58)32(56)29(53)25(67-39)19-64-38-33(57)31(55)28(52)23(17-49)65-38/h7,21-40,49-59H,8-19H2,1-6H3,(H,60,61)(H,62,63)",HIZNXZVTIKIPSM,UHFFFAOYSA,N,Medicagenic acid 3-O-[b-D-glucosyl-(1->6)-b-D-glucosyl-(1->3)-b-D-glucoside],HIZNXZVTIKIPSM-UHFFFAOYSA-N
HMDB39488,578.163555668,C27H30O14,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1OC1OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O)C2=O,"InChI=1S/C27H30O14/c1-9-5-11-16(12(29)6-9)21(33)17-10(18(11)30)3-2-4-13(17)39-27-25(37)23(35)20(32)15(41-27)8-38-26-24(36)22(34)19(31)14(7-28)40-26/h2-6,14-15,19-20,22-29,31-32,34-37H,7-8H2,1H3",DFCJAHQKYCYICW,UHFFFAOYSA,N,Chrysophanol 8-gentiobioside,DFCJAHQKYCYICW-UHFFFAOYSA-N
HMDB39489,488.13186161,C24H24O11,COC1=CC2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-18-8-16-14(7-17(18)31-2)20(27)15(9-33-16)12-3-5-13(26)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1",DUBPGEJGGVZKDD,PFKOEMKTSA,N,6''-O-Acetylglycitin,DUBPGEJGGVZKDD-PFKOEMKTSA-N
HMDB39490,952.466780122,C48H72O19,CC1OC(OC2C(O)C(O)C(OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC6(C)CC(OC6=O)C5(C)CCC43C)C2(C)C)C(O)=O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C48H72O19/c1-19-26(49)27(50)32(55)39(61-19)66-36-31(54)29(52)34(38(58)59)65-41(36)67-35-30(53)28(51)33(37(56)57)64-40(35)62-24-12-13-46(6)22(43(24,2)3)11-14-48(8)23(46)10-9-20-21-17-44(4)18-25(63-42(44)60)45(21,5)15-16-47(20,48)7/h9,19,21-36,39-41,49-55H,10-18H2,1-8H3,(H,56,57)(H,58,59)",NUXMXYUOCFBORQ,UHFFFAOYSA,N,Licoricesaponin F3,NUXMXYUOCFBORQ-UHFFFAOYSA-N
HMDB39491,287.304896209,C15H37N5,NCCCCNCCCCNCCCNCCCCN,"InChI=1S/C15H37N5/c16-8-1-3-10-18-12-5-6-13-20-15-7-14-19-11-4-2-9-17/h18-20H,1-17H2",ITSJFETYKWFREV,UHFFFAOYSA,N,"1,18-Diamino-5,9,14-triazaoctadecane",ITSJFETYKWFREV-UHFFFAOYSA-N
HMDB39492,273.289246145,C14H35N5,NCCCCNCCCNCCCCNCCCN,"InChI=1S/C14H35N5/c15-7-1-2-9-18-13-6-14-19-11-4-3-10-17-12-5-8-16/h17-19H,1-16H2",WLHDGVSIMKQJQP,UHFFFAOYSA,N,"1,17-Diamino-4,9,13-triazaheptadecane",WLHDGVSIMKQJQP-UHFFFAOYSA-N
HMDB39493,246.089208936,C14H14O4,CCCCC#CC(=O)C1=CC=C(O1)\C=C/C(O)=O,"InChI=1S/C14H14O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h7-10H,2-4H2,1H3,(H,16,17)/b10-8-",RZGRQFVNPYQSLD,NTMALXAHSA,N,Dihydrowyerone acid,RZGRQFVNPYQSLD-NTMALXAHSA-N
HMDB39494,238.047738052,C11H10O6,OC(=O)CC(OC(=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C11H10O6/c12-9(13)6-8(10(14)15)17-11(16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)",NVPJTXMOQCANSN,UHFFFAOYSA,N,Benzoylmalic acid,NVPJTXMOQCANSN-UHFFFAOYSA-N
HMDB39495,223.048072403,C10H9NO5,OC(=O)CC(=O)NC1=CC=CC=C1C(O)=O,"InChI=1S/C10H9NO5/c12-8(5-9(13)14)11-7-4-2-1-3-6(7)10(15)16/h1-4H,5H2,(H,11,12)(H,13,14)(H,15,16)",ZDSSCYCDBASEJQ,UHFFFAOYSA,N,2-(Malonylamino)benzoic acid,ZDSSCYCDBASEJQ-UHFFFAOYSA-N
HMDB39496,192.115029756,C12H16O2,CCOC1=C(OC)C=CC(\C=C/C)=C1,"InChI=1S/C12H16O2/c1-4-6-10-7-8-11(13-3)12(9-10)14-5-2/h4,6-9H,5H2,1-3H3/b6-4-",MEZOHEWMHLQBII,XQRVVYSFSA,N,2-Ethoxy-1-methoxy-4-(1-propenyl)benzene,MEZOHEWMHLQBII-XQRVVYSFSA-N
HMDB39497,262.120509064,C15H18O4,CCCCC#CC(O)C1=CC=C(O1)\C=C/C(=O)OC,"InChI=1S/C15H18O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h8-11,13,16H,3-5H2,1-2H3/b11-9-",LQJHQXFOPADMRA,LUAWRHEFSA,N,Dihydrowyerol,LQJHQXFOPADMRA-LUAWRHEFSA-N
HMDB39498,428.36543078,C29H48O2,CCC(CCC(C)C1CCC2C3CC(O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3",IWNCBADONFSAAW,UHFFFAOYSA,N,"(6beta,24R)-6-Hydroxystigmast-4-en-3-one",IWNCBADONFSAAW-UHFFFAOYSA-N
HMDB39499,133.073893223,C5H11NO3,OCC1NCC(O)C1O,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2",OQEBIHBLFRADNM,UHFFFAOYSA,N,"1,4-Dideoxy-1,4-imino-D-ribitol",OQEBIHBLFRADNM-UHFFFAOYSA-N
HMDB39500,290.090271568,C14H14N2O5,OC(=O)CC(=O)NC(CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)",OVEAWSPZRGBTSS,UHFFFAOYSA,N,N-Malonyltryptophan,OVEAWSPZRGBTSS-UHFFFAOYSA-N
HMDB39501,464.21586601,C23H32N2O8,CCCCCC(=O)NC(CC1=CN(C2C(O)C(O)C(O)C(O)C2O)C2=C1C=CC=C2)C(O)=O,"InChI=1S/C23H32N2O8/c1-2-3-4-9-16(26)24-14(23(32)33)10-12-11-25(15-8-6-5-7-13(12)15)17-18(27)20(29)22(31)21(30)19(17)28/h5-8,11,14,17-22,27-31H,2-4,9-10H2,1H3,(H,24,26)(H,32,33)",ZUUILEUIJMVLIM,UHFFFAOYSA,N,Na-Hexanoyl-Nb-inosityltryptophan,ZUUILEUIJMVLIM-UHFFFAOYSA-N
HMDB39502,327.110672659,C18H17NO5,OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C18H17NO5/c20-14-6-1-12(2-7-14)5-10-17(22)19-16(18(23)24)11-13-3-8-15(21)9-4-13/h1-10,16,20-21H,11H2,(H,19,22)(H,23,24)/b10-5+",LEEDEKWKJVUWGA,BJMVGYQFSA,N,N-(4-Hydroxycinnamoyl)tyrosine,LEEDEKWKJVUWGA-BJMVGYQFSA-N
HMDB39503,373.188922979,C21H27NO5,CC\C=C\CC1C(CC(=O)NC(CC2=CC=C(O)C=C2)C(O)=O)CCC1=O,"InChI=1S/C21H27NO5/c1-2-3-4-5-17-15(8-11-19(17)24)13-20(25)22-18(21(26)27)12-14-6-9-16(23)10-7-14/h3-4,6-7,9-10,15,17-18,23H,2,5,8,11-13H2,1H3,(H,22,25)(H,26,27)/b4-3+",SLWSWKGGZQCLDU,ONEGZZNKSA,N,N-Jasmonoyltyrosine,SLWSWKGGZQCLDU-ONEGZZNKSA-N
HMDB39504,335.115106109,C12H21N3O6S,CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O,"InChI=1S/C12H21N3O6S/c1-22-6-8(11(19)14-5-4-10(17)18)15-9(16)3-2-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)",MSEXKIKRSMQHDG,UHFFFAOYSA,N,gamma-Glutamyl-S-methylcysteinyl-beta-alanine,MSEXKIKRSMQHDG-UHFFFAOYSA-N
HMDB39505,379.159079413,C14H25N3O9,OCC1OC(NCC(NC2OCC(O)C(O)C2O)C#N)C(O)C(O)C1O,"InChI=1S/C14H25N3O9/c15-1-5(17-14-11(23)8(20)6(19)4-25-14)2-16-13-12(24)10(22)9(21)7(3-18)26-13/h5-14,16-24H,2-4H2",BTGYSUHNSKOEKC,UHFFFAOYSA,N,2-(Arabinosylamino)-3-(glucosylamino)propanenitrile,BTGYSUHNSKOEKC-UHFFFAOYSA-N
HMDB39506,253.058637089,C11H11NO6,OC(=O)CC(NC(=O)C1=C(O)C=CC=C1)C(O)=O,"InChI=1S/C11H11NO6/c13-8-4-2-1-3-6(8)10(16)12-7(11(17)18)5-9(14)15/h1-4,7,13H,5H2,(H,12,16)(H,14,15)(H,17,18)",JMJWCANHASMNST,UHFFFAOYSA,N,N-Salicyloylaspartic acid,JMJWCANHASMNST-UHFFFAOYSA-N
HMDB39507,580.142820226,C26H28O15,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C26H28O15/c27-7-14-17(31)21(35)25(39-14)37-8-15-18(32)20(34)22(36)26(40-15)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15-,17+,18-,20+,21-,22-,25-,26+/m1/s1",XZTRGHMNLXAJPZ,DGBSRBSYSA,N,Kaempferol 3-xylosylglucoside,XZTRGHMNLXAJPZ-DGBSRBSYSA-N
HMDB39508,580.179205732,C27H32O14,OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)C(O)C(O)C1O,"InChI=1S/C27H32O14/c28-9-18-20(31)22(33)24(35)26(40-18)37-12-3-1-11(2-4-12)16-8-15(30)14-6-5-13(7-17(14)39-16)38-27-25(36)23(34)21(32)19(10-29)41-27/h1-7,16,18-29,31-36H,8-10H2",UCUBMAVPVJYHIR,UHFFFAOYSA,N,Glucoliquiritin,UCUBMAVPVJYHIR-UHFFFAOYSA-N
HMDB39509,326.100167552,C15H18O8,OCC1OC(OC2=CC=C(\C=C\C(O)=O)C=C2)C(O)C(O)C1O,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+",LJFYQZQUAULRDF,ZZXKWVIFSA,N,trans-p-Coumaric acid 4-glucoside,LJFYQZQUAULRDF-ZZXKWVIFSA-N
HMDB39510,316.13107375,C18H20O5,COC1=C(OC)C(OC)=C(C=C1)C1COC2=C(C1)C=CC(O)=C2,"InChI=1S/C18H20O5/c1-20-15-7-6-14(17(21-2)18(15)22-3)12-8-11-4-5-13(19)9-16(11)23-10-12/h4-7,9,12,19H,8,10H2,1-3H3",NAIULWLSYSLHJW,UHFFFAOYSA,N,"7-Hydroxy-2',3',4'-trimethoxyisoflavan",NAIULWLSYSLHJW-UHFFFAOYSA-N
HMDB39511,254.042652674,C11H10O7,OC(C(OC(=O)C1=CC=CC=C1)C(O)=O)C(O)=O,"InChI=1S/C11H10O7/c12-7(9(13)14)8(10(15)16)18-11(17)6-4-2-1-3-5-6/h1-5,7-8,12H,(H,13,14)(H,15,16)",JXXURQWKKCNUBH,UHFFFAOYSA,N,Benzoyl meso-tartaric acid,JXXURQWKKCNUBH-UHFFFAOYSA-N
HMDB39512,824.419436,C42H64O16,CC1(C)C(CCC2(CO)C1CCC1(C)C2CCC2C3=CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O,"InChI=1S/C42H64O16/c1-37(2)21-9-11-41(6)22(8-7-19-20-17-39(4,36(53)54)14-13-38(20,3)15-16-40(19,41)5)42(21,18-43)12-10-23(37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h17,19,21-31,34-35,43-48H,7-16,18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)",YVHGFLRTSDMQKR,UHFFFAOYSA,N,Periandrin III,YVHGFLRTSDMQKR-UHFFFAOYSA-N
HMDB39514,884.476950878,C45H72O17,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C45H72O17/c1-19-8-13-45(56-17-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)58-40-37(53)35(51)33(49)29(60-40)18-55-42-39(36(52)31(47)21(3)57-42)61-41-38(54)34(50)32(48)28(16-46)59-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3",CLTHDRYPLHEQEI,UHFFFAOYSA,N,Graecunin G,CLTHDRYPLHEQEI-UHFFFAOYSA-N
HMDB39515,1046.529774308,C51H82O22,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(C)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C51H82O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-45-40(61)37(58)35(56)31(70-45)19-64-48-44(38(59)33(54)22(3)66-48)72-47-42(63)39(60)43(30(17-53)69-47)71-46-41(62)36(57)34(55)29(16-52)68-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3",QBFOXISCLSPTBT,UHFFFAOYSA,N,Graecunin E,QBFOXISCLSPTBT-UHFFFAOYSA-N
HMDB39516,266.151809192,C15H22O4,C\C(\C=C\C1(O)C(C)=CC(O)CC1(C)C)=C/C(O)=O,"InChI=1S/C15H22O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,12,16,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+",MWGXQVSTMXPXIW,WEYXYWBQSA,N,4'-Dihydroabscisic acid,MWGXQVSTMXPXIW-WEYXYWBQSA-N
HMDB39517,958.513730314,C48H78O19,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1,"InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)",WFRQIKSNAYYUJZ,UHFFFAOYSA,N,Soyasaponin V,WFRQIKSNAYYUJZ-UHFFFAOYSA-N
HMDB39518,766.450342198,C41H66O13,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1,"InChI=1S/C41H66O13/c1-36(2)16-21-20-8-9-24-38(4)12-11-26(39(5,19-42)23(38)10-13-41(24,7)40(20,6)15-14-37(21,3)25(44)17-36)52-35-32(29(47)28(46)31(53-35)33(49)50)54-34-30(48)27(45)22(43)18-51-34/h8,21-32,34-35,42-48H,9-19H2,1-7H3,(H,49,50)",LASVNNIDKPXXMG,UHFFFAOYSA,N,Soyasaponin IV,LASVNNIDKPXXMG-UHFFFAOYSA-N
HMDB39519,944.534465756,C48H80O18,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1,"InChI=1S/C48H80O18/c1-43(2)16-23-22-8-9-28-45(4)12-11-30(46(5,21-52)27(45)10-13-48(28,7)47(22,6)15-14-44(23,3)29(53)17-43)64-42-37(60)39(66-41-36(59)34(57)32(55)25(19-50)62-41)38(26(20-51)63-42)65-40-35(58)33(56)31(54)24(18-49)61-40/h8,23-42,49-60H,9-21H2,1-7H3",ZKTQSWBSOLFYDL,UHFFFAOYSA,N,Phaseoluside A,ZKTQSWBSOLFYDL-UHFFFAOYSA-N
HMDB39520,620.428818896,C36H60O8,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(COC6OC(CO)C(O)C(O)C6O)C5CCC34C)C2C1,"InChI=1S/C36H60O8/c1-31(2)16-21-20-8-9-24-33(4)12-11-25(38)34(5,19-43-30-29(42)28(41)27(40)22(18-37)44-30)23(33)10-13-36(24,7)35(20,6)15-14-32(21,3)26(39)17-31/h8,21-30,37-42H,9-19H2,1-7H3",YTOCWWQIMKHRPX,UHFFFAOYSA,N,Soyasapogenol B 24-O-b-D-glucoside,YTOCWWQIMKHRPX-UHFFFAOYSA-N
HMDB39521,283.120843415,C17H17NO3,OC1=CC=C(CCNC(=O)\C=C\C2=CC=C(O)C=C2)C=C1,"InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+",RXGUTQNKCXHALN,BJMVGYQFSA,N,N-(p-Hydroxyphenyl)ethyl p-hydroxycinnamide,RXGUTQNKCXHALN-BJMVGYQFSA-N
HMDB39522,196.146329884,C12H20O2,CC(C)=CCCC(C)(OC(C)=O)C=C,"InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3",UWKAYLJWKGQEPM,UHFFFAOYSA,N,Linalyl acetate,UWKAYLJWKGQEPM-UHFFFAOYSA-N
HMDB39523,538.111126168,C27H22O12,OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O\C(=C/C2=CC(O)=C(O)C=C2)C(O)=O)=C(O)C=C1,"InChI=1S/C27H22O12/c28-17-5-2-15(9-20(17)31)12-23(26(34)35)38-22-11-14(1-7-19(22)30)4-8-25(33)39-24(27(36)37)13-16-3-6-18(29)21(32)10-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-",HFTLCJIFEZUOCR,JKXXRSRDSA,N,Isomelitric acid A,HFTLCJIFEZUOCR-JKXXRSRDSA-N
HMDB39524,153.99446239,C4H10S3,CCSSSCC,"InChI=1S/C4H10S3/c1-3-5-7-6-4-2/h3-4H2,1-2H3",OPMRTBDRQRSNDN,UHFFFAOYSA,N,Diethyl trisulfide,OPMRTBDRQRSNDN-UHFFFAOYSA-N
HMDB39525,236.177630012,C15H24O2,CC(CCCC1(C)C2CC3C(C2)C13C)C(O)=O,"InChI=1S/C15H24O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h9-12H,4-8H2,1-3H3,(H,16,17)",GDGGAJNITUJKMP,UHFFFAOYSA,N,Dihydro-alpha-santalic acid,GDGGAJNITUJKMP-UHFFFAOYSA-N
HMDB39526,385.123797835,C20H17F2N3O3,OC(=O)C1=CN(C2=CC=C(F)C=C2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O,"InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)",XBHBWNFJWIASRO,UHFFFAOYSA,N,Sarafloxacin,XBHBWNFJWIASRO-UHFFFAOYSA-N
HMDB39527,769.598540559,C44H84NO7P,CCCCCCCCCCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\C\C=C\C\C=C\CCCCC,"InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,43H,6-13,15,17-19,21,23,26-42H2,1-5H3/b16-14+,22-20+,25-24+",VYKSGWCIVDQIQR,FGLAEDNVSA,N,1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-phosphocholine,VYKSGWCIVDQIQR-FGLAEDNVSA-N
HMDB39528,765.567240431,C44H80NO7P,CCCCCCCCCCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CC,"InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b10-8+,16-14+,22-20+,25-24+,31-29+",YHSSHPWVFALMBA,UCKGYWORSA,N,"2-O-(5,8,11,14,17-Eicosapentaenoyl)-1-O-hexadecylglycero-3-phosphocholine",YHSSHPWVFALMBA-UCKGYWORSA-N
HMDB39529,791.582890495,C46H82NO7P,CCCCCCCCCCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CC,"InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-44H2,1-5H3/b10-8+,16-14+,22-20+,25-24+,29-27+,35-33+",QQQQNYAHSSIZBU,MIMIONRCSA,N,"2-O-(4,7,10,13,16,19-Docosahexaenoyl)-1-O-hexadecylglycero-3-phosphocholine",QQQQNYAHSSIZBU-MIMIONRCSA-N
HMDB39530,330.255880332,C22H34O2,CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-",SSQPWTVBQMWLSZ,AAQCHOMXSA,N,Ethyl icosapentate,SSQPWTVBQMWLSZ-AAQCHOMXSA-N
HMDB39531,217.146664235,C14H19NO,CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1,"InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3",DECIPOUIJURFOJ,UHFFFAOYSA,N,Ethoxyquin,DECIPOUIJURFOJ-UHFFFAOYSA-N
HMDB39532,220.18271539,C15H24O,CC\C=C\C\C=C/C\C=C\CCCC(C)=O,"InChI=1S/C15H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h4-5,7-8,10-11H,3,6,9,12-14H2,1-2H3/b5-4+,8-7-,11-10+",CDLUQRUBQHRFDS,BQOJMOTRSA,N,"(6Z,9Z,12Z)-6,9,12-Pentadecatrien-2-one",CDLUQRUBQHRFDS-BQOJMOTRSA-N
HMDB39533,186.125594442,C10H18O3,OC\C=C\CCCCCCC(O)=O,"InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,1-4,6,8-9H2,(H,12,13)/b7-5+",RCXJFGCVOBRFEH,FNORWQNLSA,N,(E)-10-Hydroxy-8-decenoic acid,RCXJFGCVOBRFEH-FNORWQNLSA-N
HMDB39534,296.154307751,C17H25ClO2,CCCCCCCC(Cl)C(O)CC#CC#CC(O)C=C,"InChI=1S/C17H25ClO2/c1-3-5-6-7-10-13-16(18)17(20)14-11-8-9-12-15(19)4-2/h4,15-17,19-20H,2-3,5-7,10,13-14H2,1H3",PBNFQEYKZLUTLH,UHFFFAOYSA,N,Panaxydol chlorohydrin,PBNFQEYKZLUTLH-UHFFFAOYSA-N
HMDB39535,478.511366734,C33H66O,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC,"InChI=1S/C33H66O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)4-2/h3-32H2,1-2H3",AJSCLJOGICXEJM,UHFFFAOYSA,N,3-Tritriacontanone,AJSCLJOGICXEJM-UHFFFAOYSA-N
HMDB39536,508.485545914,C33H64O3,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCC(O)CCC,"InChI=1S/C33H64O3/c1-3-5-6-7-8-9-10-11-12-14-18-21-24-28-32(35)30-33(36)29-25-22-19-16-13-15-17-20-23-27-31(34)26-4-2/h31,34H,3-30H2,1-2H3",IUABXSHIXYIRMH,UHFFFAOYSA,N,"4-Hydroxy-16,18-tritriacontanedione",IUABXSHIXYIRMH-UHFFFAOYSA-N
HMDB39537,494.506281356,C33H66O2,CCCCCCCCCCCCCCCC(O)CC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C33H66O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,34H,3-31H2,1-2H3",YICMKZPWMNXNFS,UHFFFAOYSA,N,18-Hydroxy-16-tritriacontanone,YICMKZPWMNXNFS-UHFFFAOYSA-N
HMDB39538,222.198365454,C15H26O,CCCCC\C=C/C\C=C\CCCC(C)=O,"InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+",PBWOSGBKOJCBNQ,QEFCTBRHSA,N,"(6Z,9Z)-6,9-Pentadecadien-2-one",PBWOSGBKOJCBNQ-QEFCTBRHSA-N
HMDB39539,220.146329884,C14H20O2,OC(CCCCCC=C)C(O)CC#CC#C,"InChI=1S/C14H20O2/c1-3-5-7-8-10-12-14(16)13(15)11-9-6-4-2/h2-3,13-16H,1,5,7-8,10-12H2",WOVGAQBKTGZPTO,UHFFFAOYSA,N,"13-Tetradecene-1,3-diyne-6,7-diol",WOVGAQBKTGZPTO-UHFFFAOYSA-N
HMDB39540,384.360345402,C24H48O3,CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=O,"InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h23,25H,2-22H2,1H3,(H,26,27)",MSUOLNSQHLHDAS,UHFFFAOYSA,N,Cerebronic acid,MSUOLNSQHLHDAS-UHFFFAOYSA-N
HMDB39541,770.226943784,C34H42O20,COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C34H42O20/c1-10-20(38)24(42)27(45)32(49-10)48-9-18-22(40)26(44)31(54-33-28(46)25(43)21(39)11(2)50-33)34(52-18)53-30-23(41)19-15(37)7-13(35)8-17(19)51-29(30)12-4-5-14(36)16(6-12)47-3/h4-8,10-11,18,20-22,24-28,31-40,42-46H,9H2,1-3H3",POMAQDQEVHXLGT,UHFFFAOYSA,N,Typhaneoside,POMAQDQEVHXLGT-UHFFFAOYSA-N
HMDB39542,858.388529802,C41H62O19,CC1OC(CC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1,"InChI=1S/C41H62O19/c1-18-35(60-37-34(51)32(49)30(47)26(59-37)16-55-36-33(50)31(48)29(46)25(14-42)58-36)24(44)12-28(56-18)57-20-3-8-39(17-43)22-4-7-38(2)21(19-11-27(45)54-15-19)6-10-41(38,53)23(22)5-9-40(39,52)13-20/h11,17-18,20-26,28-37,42,44,46-53H,3-10,12-16H2,1-2H3",NJSLEWLDVLXNKW,UHFFFAOYSA,N,Olitoriusin,NJSLEWLDVLXNKW-UHFFFAOYSA-N
HMDB39543,794.44525682,C42H66O14,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H66O14/c1-19-10-15-42(37(52)56-35-31(48)28(45)27(44)22(18-43)53-35)17-16-40(6)21(26(42)20(19)2)8-9-24-39(5)13-12-25(38(3,4)23(39)11-14-41(24,40)7)54-36-32(49)29(46)30(47)33(55-36)34(50)51/h8,19-20,22-33,35-36,43-49H,9-18H2,1-7H3,(H,50,51)",HLVIRJDEEXUEKR,UHFFFAOYSA,N,Cynarasaponin C,HLVIRJDEEXUEKR-UHFFFAOYSA-N
HMDB39544,622.44446896,C36H62O8,CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3",CKUVNOCSBYYHIS,UHFFFAOYSA,N,(20R)-Ginsenoside Rh2,CKUVNOCSBYYHIS-UHFFFAOYSA-N
HMDB39545,784.49729239,C42H72O13,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3",SWIROVJVGRGSPO,UHFFFAOYSA,N,Ginsenoside F2,SWIROVJVGRGSPO-UHFFFAOYSA-N
HMDB39546,784.49729239,C42H72O13,CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3",RWXIFXNRCLMQCD,UHFFFAOYSA,N,Ginsenoside Rg3,RWXIFXNRCLMQCD-UHFFFAOYSA-N
HMDB39547,946.55011582,C48H82O18,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-43-40(60)37(57)34(54)27(64-43)21-61-41-38(58)35(55)32(52)25(19-49)62-41)23-11-16-47(7)31(23)24(51)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)65-42-39(59)36(56)33(53)26(20-50)63-42/h10,23-43,49-60H,9,11-21H2,1-8H3",ZRBFCAALKKNCJG,UHFFFAOYSA,N,Gynosaponin S,ZRBFCAALKKNCJG-UHFFFAOYSA-N
HMDB39548,1120.60293925,C55H92O23,CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)39(63)31(75-49)23-72-47-43(67)36(60)28(59)21-71-47)26-12-17-54(8)35(26)27(58)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)37(61)29(20-56)73-50)77-48-44(68)40(64)38(62)30(74-48)22-70-25(3)57/h11,26-50,56,58-69H,10,12-23H2,1-9H3",HAJTYGKLQDXTPO,UHFFFAOYSA,N,Ginsenoside Rs1,HAJTYGKLQDXTPO-UHFFFAOYSA-N
HMDB39549,916.539551134,C47H80O17,CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)33(52)26(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3",ZTQSADJAYQOCDD,UHFFFAOYSA,N,Gynosaponin I,ZTQSADJAYQOCDD-UHFFFAOYSA-N
HMDB39550,1270.65576268,C60H102O28,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C60H102O28/c1-24(2)10-9-14-60(8,88-53-48(78)43(73)40(70)31(84-53)23-79-51-46(76)41(71)36(66)27(19-61)80-51)25-11-16-59(7)35(25)26(65)18-33-57(5)15-13-34(56(3,4)32(57)12-17-58(33,59)6)85-54-49(44(74)38(68)29(21-63)82-54)87-55-50(45(75)39(69)30(22-64)83-55)86-52-47(77)42(72)37(67)28(20-62)81-52/h10,25-55,61-78H,9,11-23H2,1-8H3",LDIAQNKCRRXZCD,UHFFFAOYSA,N,Ginsenoside RA0,LDIAQNKCRRXZCD-UHFFFAOYSA-N
HMDB39551,1240.645197994,C59H100O27,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-46(75)42(71)39(68)31(82-53)23-78-51-47(76)48(40(69)30(21-62)79-51)84-50-44(73)36(65)27(64)22-77-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-54-49(43(72)38(67)29(20-61)81-54)85-52-45(74)41(70)37(66)28(19-60)80-52/h10,25-54,60-76H,9,11-23H2,1-8H3",QUNSGRLNZDSQJC,UHFFFAOYSA,N,Ginsenoside Ra3,QUNSGRLNZDSQJC-UHFFFAOYSA-N
HMDB39552,1120.60293925,C55H92O23,CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(CCC43C)C(C)(CCC=C(C)C)OC3OC(COC4OC(CO)C(O)C4O)C(O)C(O)C3O)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)38(62)31(74-49)23-71-47-43(67)37(61)29(21-57)72-47)26-12-17-54(8)35(26)27(59)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)39(63)30(75-50)22-70-25(3)58)77-48-44(68)40(64)36(60)28(20-56)73-48/h11,26-50,56-57,59-69H,10,12-23H2,1-9H3",YLMBQJRKOKVUCP,UHFFFAOYSA,N,Ginsenoside Rs2,YLMBQJRKOKVUCP-UHFFFAOYSA-N
HMDB39553,648.372091878,C32H56O13,C\C(CC\C=C(/C)CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C32H56O13/c1-7-32(6,45-30-28(40)26(38)24(36)21(17-34)43-30)15-9-12-18(2)10-8-11-19(3)13-14-22(31(4,5)41)44-29-27(39)25(37)23(35)20(16-33)42-29/h7,11-12,20-30,33-41H,1,8-10,13-17H2,2-6H3/b18-12+,19-11+",OZHKUJVWCFTHRG,IDXRHMDNSA,N,Lyciumoside III,OZHKUJVWCFTHRG-IDXRHMDNSA-N
HMDB39554,638.439383582,C36H62O9,CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3",RAQNTCRNSXYLAH,UHFFFAOYSA,N,Ginsenoside Rh1,RAQNTCRNSXYLAH-UHFFFAOYSA-N
HMDB39555,638.439383582,C36H62O9,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C,"InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20-31,37-43H,9,11-18H2,1-8H3",XNGXWSFSJIQMNC,UHFFFAOYSA,N,Ginsenoside F1,XNGXWSFSJIQMNC-UHFFFAOYSA-N
HMDB39556,770.481642326,C41H70O13,CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C,"InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-52-35-32(49)29(46)24(44)18-51-35)21-11-15-39(6)28(21)22(42)16-26-38(5)14-12-27(45)37(3,4)34(38)23(43)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3",HJRVLGWTJSLQIG,UHFFFAOYSA,N,Ginsenoside F3,HJRVLGWTJSLQIG-UHFFFAOYSA-N
HMDB39557,376.188588628,C21H28O6,COC1=CC(C)C2CC3OC(=O)CC4C(=C)C(O)C(O)C(C34C)C2(C)C1=O,"InChI=1S/C21H28O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9,11-12,14,16-18,23-24H,2,7-8H2,1,3-5H3",CKRHSGZMMGXRKZ,UHFFFAOYSA,N,"12alpha-Hydroxy-13,18-dehydroparain",CKRHSGZMMGXRKZ-UHFFFAOYSA-N
HMDB39558,404.219888756,C23H32O6,COC1C(OC)=CC(C)C2CC3OC(=O)CC4C(C)=C(OC)C(=O)C(C34C)C12C,"InChI=1S/C23H32O6/c1-11-8-15(26-5)21(28-7)23(4)13(11)9-16-22(3)14(10-17(24)29-16)12(2)19(27-6)18(25)20(22)23/h8,11,13-14,16,20-21H,9-10H2,1-7H3",YHEQIRIWAKHQFI,UHFFFAOYSA,N,1alpha-O-Methylquassin,YHEQIRIWAKHQFI-UHFFFAOYSA-N
HMDB39559,962.545030442,C48H82O19,CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C48H82O19/c1-43(2,61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3/b13-9+",IAEZLXLDZBZQPU,UKTHLTGXSA,N,Ginsenoside M6a,IAEZLXLDZBZQPU-UKTHLTGXSA-N
HMDB39560,942.482430186,C47H74O19,CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H74O19/c1-42(2)16-21-20-8-9-25-44(5)12-11-27(63-40-36(32(55)31(54)35(64-40)37(58)59)65-38-33(56)28(51)22(49)19-61-38)43(3,4)24(44)10-13-46(25,7)45(20,6)14-15-47(21,17-26(42)50)41(60)66-39-34(57)30(53)29(52)23(18-48)62-39/h8,21-36,38-40,48-57H,9-19H2,1-7H3,(H,58,59)",WFSMZACCERKEEN,UHFFFAOYSA,N,Cynarasaponin J,WFSMZACCERKEEN-UHFFFAOYSA-N
HMDB39561,780.429606756,C41H64O14,CC1C(O)CC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O,"InChI=1S/C41H64O14/c1-18-19(2)26-20-8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,7)39(20,6)14-15-41(26,36(50)51)16-21(18)42)53-35-32(29(46)28(45)31(54-35)33(48)49)55-34-30(47)27(44)22(43)17-52-34/h8,18-19,21-32,34-35,42-47H,9-17H2,1-7H3,(H,48,49)(H,50,51)",VCNMKNJFULJAPB,UHFFFAOYSA,N,Cynarasaponin F,VCNMKNJFULJAPB-UHFFFAOYSA-N
HMDB39562,810.440171442,C42H66O15,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H66O15/c1-19-9-14-42(37(53)57-35-31(49)28(46)27(45)22(17-43)54-35)16-15-40(5)21(26(42)20(19)2)7-8-24-38(3)12-11-25(39(4,18-44)23(38)10-13-41(24,40)6)55-36-32(50)29(47)30(48)33(56-36)34(51)52/h7,19-20,22-33,35-36,43-50H,8-18H2,1-6H3,(H,51,52)",UHQNVKKALWJDQL,UHFFFAOYSA,N,Cynarasaponin E,UHQNVKKALWJDQL-UHFFFAOYSA-N
HMDB39563,942.482430186,C47H74O19,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H74O19/c1-20-9-14-47(42(60)66-40-35(57)31(53)30(52)24(17-48)62-40)16-15-45(5)22(28(47)21(20)2)7-8-26-43(3)12-11-27(44(4,19-49)25(43)10-13-46(26,45)6)63-41-37(33(55)32(54)36(64-41)38(58)59)65-39-34(56)29(51)23(50)18-61-39/h7,20-21,23-37,39-41,48-57H,8-19H2,1-6H3,(H,58,59)",QHWJYYBRVQGYAR,UHFFFAOYSA,N,Cynarasaponin D,QHWJYYBRVQGYAR-UHFFFAOYSA-N
HMDB39564,392.147117744,C20H24O8,CC1OC(OC(C)(C)C2CC3=C(O2)C=C2OC(=O)C=CC2=C3)C(O)C(O)C1O,"InChI=1S/C20H24O8/c1-9-16(22)17(23)18(24)19(25-9)28-20(2,3)14-7-11-6-10-4-5-15(21)27-12(10)8-13(11)26-14/h4-6,8-9,14,16-19,22-24H,7H2,1-3H3",HOSJGHRJSDQCPE,UHFFFAOYSA,N,Marmesin rhamnoside,HOSJGHRJSDQCPE-UHFFFAOYSA-N
HMDB39565,550.111126168,C28H22O12,CC(=O)OC1=C(OC(C)=O)C=C2C(OC3=C(OC(C)=O)C(C4=CC=C(O)C=C4)=C(OC(C)=O)C(OC(C)=O)=C23)=C1,"InChI=1S/C28H22O12/c1-12(29)35-21-10-19-20(11-22(21)36-13(2)30)40-28-24(19)27(39-16(5)33)25(37-14(3)31)23(26(28)38-15(4)32)17-6-8-18(34)9-7-17/h6-11,34H,1-5H3",BKYOIMKDXAUYEQ,UHFFFAOYSA,N,BL II,BKYOIMKDXAUYEQ-UHFFFAOYSA-N
HMDB39566,508.100561482,C26H20O11,CC(=O)OC1=CC=C(C=C1)C1=C(OC(C)=O)C(OC(C)=O)=C2C3=C(OC2=C1OC(C)=O)C=C(O)C(O)=C3,"InChI=1S/C26H20O11/c1-11(27)33-16-7-5-15(6-8-16)21-23(34-12(2)28)25(36-14(4)30)22-17-9-18(31)19(32)10-20(17)37-26(22)24(21)35-13(3)29/h5-10,31-32H,1-4H3",RCCVHCHMVALAKN,UHFFFAOYSA,N,BL III,RCCVHCHMVALAKN-UHFFFAOYSA-N
HMDB39567,424.07943211,C22H16O9,CC(=O)OC1=C(OC(C)=O)C(=C(O)C2=C1C1=C(O2)C=C(O)C(O)=C1)C1=CC=C(O)C=C1,"InChI=1S/C22H16O9/c1-9(23)29-21-17(11-3-5-12(25)6-4-11)19(28)20-18(22(21)30-10(2)24)13-7-14(26)15(27)8-16(13)31-20/h3-8,25-28H,1-2H3",YJCDGKMVAYETOP,UHFFFAOYSA,N,BL V,YJCDGKMVAYETOP-UHFFFAOYSA-N
HMDB39568,302.188194698,C19H26O3,CCC(OC(C)=O)C#CC#CCC1OC1CCCCCC=C,"InChI=1S/C19H26O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h4,17-19H,1,5-8,11,14-15H2,2-3H3",DFNOHNMHWQVJHX,UHFFFAOYSA,N,Ginsenoyne H,DFNOHNMHWQVJHX-UHFFFAOYSA-N
HMDB39569,300.172544634,C19H24O3,CC(=O)OC(C=C)C#CC#CCC1OC1CCCCCC=C,"InChI=1S/C19H24O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h4-5,17-19H,1-2,6-8,11,14-15H2,3H3",WGUFHMCIXUZUAL,UHFFFAOYSA,N,Ginsenoyne F,WGUFHMCIXUZUAL-UHFFFAOYSA-N
HMDB39570,386.15768243,C18H26O9,COC\C=C/C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1,"InChI=1S/C18H26O9/c1-23-6-4-5-10-7-11(24-2)17(12(8-10)25-3)27-18-16(22)15(21)14(20)13(9-19)26-18/h4-5,7-8,13-16,18-22H,6,9H2,1-3H3/b5-4-",KDZYNPVXUQIVAO,PLNGDYQASA,N,Methylsyringin,KDZYNPVXUQIVAO-PLNGDYQASA-N
HMDB39571,332.125988372,C18H20O6,COC1=C(O)C=C(C2COC3=C(C2)C=CC(O)=C3)C(OC)=C1OC,"InChI=1S/C18H20O6/c1-21-16-13(8-14(20)17(22-2)18(16)23-3)11-6-10-4-5-12(19)7-15(10)24-9-11/h4-5,7-8,11,19-20H,6,9H2,1-3H3",DGDBODTZBJMGDR,UHFFFAOYSA,N,5'-Hydroxy-3'-methoxysativan,DGDBODTZBJMGDR-UHFFFAOYSA-N
HMDB39572,864.190164348,C45H36O18,O[C@@H]1CC2=C(O)C=C(O)C([C@H]3[C@@H](O)[C@H](OC4=C5[C@@H]6[C@@H](O)[C@@](OC7=CC(O)=CC(O)=C67)(OC5=CC(O)=C34)C3=CC=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38-,39-,40-,41-,44-,45+/m1/s1",BYSRPHRKESMCPO,SAPOJKNTSA,N,Pavetannin B2,BYSRPHRKESMCPO-SAPOJKNTSA-N
HMDB39573,448.230847372,C21H36O10,CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7-",IEGFOTASSBZIBZ,GHXNOFRVSA,N,Geranyl arabinopyranosyl-glucoside,IEGFOTASSBZIBZ-GHXNOFRVSA-N
HMDB39574,1224.150269184,C56H40O32,OC1CC2=C(O)C=C(O)C(C3C4OC(=O)C5=C3C(O)=C(O)C(O)=C5C3=C(C=C(O)C(O)=C3O)C(=O)OC4C3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OCC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C56H40O32/c57-17-9-18(58)31(48-13(17)5-26(66)47(85-48)11-1-19(59)36(67)20(60)2-11)34-33-35-32(44(75)46(77)45(33)76)30-16(8-25(65)40(71)43(30)74)55(81)88-51(50(34)87-56(35)82)49-27(84-52(78)12-3-21(61)37(68)22(62)4-12)10-83-53(79)14-6-23(63)38(69)41(72)28(14)29-15(54(80)86-49)7-24(64)39(70)42(29)73/h1-4,6-9,26-27,34,47,49-51,57-77H,5,10H2",QJOSZTCZZUNIRY,UHFFFAOYSA,N,Guajavin A,QJOSZTCZZUNIRY-UHFFFAOYSA-N
HMDB39575,376.152203122,C20H24O7,C\C=C(/C)C(=O)OC1(C)C(O)CC2C(OC(=O)C2=C)C2C3(C)OOC12C=C3,"InChI=1S/C20H24O7/c1-6-10(2)16(22)25-19(5)13(21)9-12-11(3)17(23)24-14(12)15-18(4)7-8-20(15,19)27-26-18/h6-8,12-15,21H,3,9H2,1-2,4-5H3/b10-6+",UMHHYRUGXILZJB,UXBLZVDNSA,N,alpha-Peroxyachifolide,UMHHYRUGXILZJB-UXBLZVDNSA-N
HMDB39576,792.414350622,C38H64O17,C\C(CC\C=C(/C)COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)=C\CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C38H64O17/c1-6-38(5,55-36-33(49)30(46)27(43)24(17-40)52-36)15-9-14-21(3)11-7-10-20(2)12-8-13-22(4)19-50-37-34(31(47)28(44)25(18-41)53-37)54-35-32(48)29(45)26(42)23(16-39)51-35/h6,10,13-14,23-37,39-49H,1,7-9,11-12,15-19H2,2-5H3/b20-10-,21-14+,22-13+",QAUYGCMOBFCRSP,AFAFYZGOSA,N,Lyciumoside II,QAUYGCMOBFCRSP-AFAFYZGOSA-N
HMDB39577,630.361527192,C32H54O12,C\C(CC\C=C(/C)COC1OC(CO)C(O)C(O)C1O)=C\CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C32H54O12/c1-6-32(5,44-31-29(40)27(38)25(36)23(17-34)43-31)15-9-14-20(3)11-7-10-19(2)12-8-13-21(4)18-41-30-28(39)26(37)24(35)22(16-33)42-30/h6,10,13-14,22-31,33-40H,1,7-9,11-12,15-18H2,2-5H3/b19-10-,20-14+,21-13+",HQUVEBJUUSKUCJ,YLCPDNOISA,N,Lyciumoside I,HQUVEBJUUSKUCJ-YLCPDNOISA-N
HMDB39578,284.068473494,C16H12O5,COC1=C(O)C2=C(C=C1)C(=O)C1=C(C=CC(C)=C1O)C2=O,"InChI=1S/C16H12O5/c1-7-3-4-8-11(13(7)17)14(18)9-5-6-10(21-2)16(20)12(9)15(8)19/h3-6,17,20H,1-2H3",JJTIQZJKQCQNJK,UHFFFAOYSA,N,"1,5-Dihydroxy-2-methoxy-6-methylanthraquinone",JJTIQZJKQCQNJK-UHFFFAOYSA-N
HMDB39579,598.356441814,C28H54O13,CCCCCCCCCCCCCCCC(O)=O.OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C16H32O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h2-15H2,1H3,(H,17,18);4-11,13-20H,1-3H2",XZAGBDSOKNXTDT,UHFFFAOYSA,N,Sucrose monopalmitate,XZAGBDSOKNXTDT-UHFFFAOYSA-N
HMDB39580,626.387741942,C30H58O13,CCCCCCCCCCCCCCCCCC(O)=O.OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C18H36O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h2-17H2,1H3,(H,19,20);4-11,13-20H,1-3H2",ONAIRGOTKJCYEY,UHFFFAOYSA,N,Sucrose monostearate,ONAIRGOTKJCYEY-UHFFFAOYSA-N
HMDB39581,114.068079564,C6H10O2,CCOC(=O)\C=C/C,"InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-",ZFDIRQKJPRINOQ,HYXAFXHYSA,N,Ethyl crotonate,ZFDIRQKJPRINOQ-HYXAFXHYSA-N
HMDB39582,186.125594442,C10H18O3,CCCCCCC1COCC(=O)O1,"InChI=1S/C10H18O3/c1-2-3-4-5-6-9-7-12-8-10(11)13-9/h9H,2-8H2,1H3",DDMSZJBFTYIFQQ,UHFFFAOYSA,N,"6-Hexyl-1,4-dioxan-2-one",DDMSZJBFTYIFQQ-UHFFFAOYSA-N
HMDB39583,125.084063979,C7H11NO,CCC1=C(O)C(=N)CC1,"InChI=1S/C7H11NO/c1-2-5-3-4-6(8)7(5)9/h8-9H,2-4H2,1H3",QWYZDNYETGLKEE,UHFFFAOYSA,N,2-Ethyl-5-imino-1-cyclopenten-1-ol,QWYZDNYETGLKEE-UHFFFAOYSA-N
HMDB39584,111.068413915,C6H9NO,CC1=C(O)C(=N)CC1,"InChI=1S/C6H9NO/c1-4-2-3-5(7)6(4)8/h7-8H,2-3H2,1H3",FUWRNKPZYXVMOZ,UHFFFAOYSA,N,5-Imino-2-methyl-1-cyclopenten-1-ol,FUWRNKPZYXVMOZ-UHFFFAOYSA-N
HMDB39585,222.035064876,C11H10O3S,CC1=CC(SC(=O)C2=CC=CO2)=C(C)O1,"InChI=1S/C11H10O3S/c1-7-6-10(8(2)14-7)15-11(12)9-4-3-5-13-9/h3-6H,1-2H3",IHJDHYVSIRCWIT,UHFFFAOYSA,N,"S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate",IHJDHYVSIRCWIT-UHFFFAOYSA-N
HMDB39586,128.029585568,C6H8OS,CC(S)C1=CC=CO1,"InChI=1S/C6H8OS/c1-5(8)6-3-2-4-7-6/h2-5,8H,1H3",PIIMQPHZYYVEMS,UHFFFAOYSA,N,2-(1-Mercaptoethyl)furan,PIIMQPHZYYVEMS-UHFFFAOYSA-N
HMDB39587,186.125594442,C10H18O3,CCCCCCC1COC(=O)CO1,"InChI=1S/C10H18O3/c1-2-3-4-5-6-9-7-13-10(11)8-12-9/h9H,2-8H2,1H3",KBOAQIXMCPQXIP,UHFFFAOYSA,N,"5-Hexyl-1,4-dioxan-2-one",KBOAQIXMCPQXIP-UHFFFAOYSA-N
HMDB39588,244.18271539,C17H24O,CCCCCCC\C=C\CC#CC#CC(O)C=C,"InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10+",UGJAEDFOKNAMQD,ZHACJKMWSA,N,Panaxynol,UGJAEDFOKNAMQD-ZHACJKMWSA-N
HMDB39589,304.203844762,C19H28O3,CCCCCCCC1OC1CC#CC#CC(CC)OC(C)=O,"InChI=1S/C19H28O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h17-19H,4-8,11,14-15H2,1-3H3",UDOFLRJQZVKUBL,UHFFFAOYSA,N,Ginsenoyne G,UDOFLRJQZVKUBL-UHFFFAOYSA-N
HMDB39590,180.151415262,C12H20O,CCCCCCC\C=C\C=C\C=O,"InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+",QKTZBZWNADPFOL,BNFZFUHLSA,N,"(2E,4E)-2,4-Dodecadienal",QKTZBZWNADPFOL-BNFZFUHLSA-N
HMDB39591,778.413956692,C41H62O14,CC1(C)C(CCC2(C=O)C1CCC1(C)C2CCC2C3=CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OCC(O)C(O)C1O)C(O)=O,"InChI=1S/C41H62O14/c1-36(2)23-9-11-40(6)24(8-7-20-21-17-38(4,35(50)51)14-13-37(21,3)15-16-39(20,40)5)41(23,19-42)12-10-25(36)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h17,19-20,22-31,33-34,43-47H,7-16,18H2,1-6H3,(H,48,49)(H,50,51)",OHGFKHHCPIGSKE,UHFFFAOYSA,N,Periandrin V,OHGFKHHCPIGSKE-UHFFFAOYSA-N
HMDB39592,260.104859,C15H16O4,CC(C)=C1OC2=C(C=CC3=C2COC(C)(O)C3)C1=O,"InChI=1S/C15H16O4/c1-8(2)13-12(16)10-5-4-9-6-15(3,17)18-7-11(9)14(10)19-13/h4-5,17H,6-7H2,1-3H3",MKXDAWJZYZIEIP,UHFFFAOYSA,N,Pergillin,MKXDAWJZYZIEIP-UHFFFAOYSA-N
HMDB39593,570.39203946,C35H54O6,CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C2CCC(C)(CC(=O)C=C(C)C)OC2=C1C=O,"InChI=1S/C35H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(38)40-26-28-23-32(39-5)30-20-21-35(4,24-29(37)22-27(2)3)41-34(30)31(28)25-36/h22-23,25H,6-21,24,26H2,1-5H3",ACYSSVIUKOTZQD,UHFFFAOYSA,N,Hericenone F,ACYSSVIUKOTZQD-UHFFFAOYSA-N
HMDB39594,598.423339588,C37H58O6,CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C2CCC(C)(CC(=O)C=C(C)C)OC2=C1C=O,"InChI=1S/C37H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(40)42-28-30-25-34(41-5)32-22-23-37(4,26-31(39)24-29(2)3)43-36(32)33(30)27-38/h24-25,27H,6-23,26,28H2,1-5H3",GGXBOOLRGQUWIV,UHFFFAOYSA,N,Hericenone G,GGXBOOLRGQUWIV-UHFFFAOYSA-N
HMDB39595,594.39203946,C37H54O6,CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1=CC(OC)=C2CCC(C)(CC(=O)C=C(C)C)OC2=C1C=O,"InChI=1S/C37H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(40)42-28-30-25-34(41-5)32-22-23-37(4,26-31(39)24-29(2)3)43-36(32)33(30)27-38/h10-11,13-14,24-25,27H,6-9,12,15-23,26,28H2,1-5H3/b11-10+,14-13+",WQODVCURNLADTH,IWCZYTNJSA,N,Hericenone H,WQODVCURNLADTH-IWCZYTNJSA-N
HMDB39596,416.256274262,C25H36O5,CC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C2=C1OC(C2)C(C)(C)O,"InChI=1S/C25H36O5/c1-14(2)9-11-25(12-10-15(3)4)22(27)17-13-18(24(7,8)29)30-21(17)19(23(25)28)20(26)16(5)6/h9-10,16,18,28-29H,11-13H2,1-8H3",PJJKEFBNTHAOBF,UHFFFAOYSA,N,Colupox a,PJJKEFBNTHAOBF-UHFFFAOYSA-N
HMDB39597,432.251188884,C25H36O6,CC(C)C(=O)C1=C(O)C2(CC=C(C)C)CC(OC2=C(CC2OC2(C)C)C1=O)C(C)(C)O,"InChI=1S/C25H36O6/c1-13(2)9-10-25-12-17(23(5,6)29)30-22(25)15(11-16-24(7,8)31-16)20(27)18(21(25)28)19(26)14(3)4/h9,14,16-17,28-29H,10-12H2,1-8H3",KXYBBCKZQBTXQB,UHFFFAOYSA,N,Colupdox a,KXYBBCKZQBTXQB-UHFFFAOYSA-N
HMDB39598,416.256274262,C25H36O5,CC(C)C1CC2(CC=C(C)C)C(O1)=C(CC1OC1(C)C)C(=O)C(C(=O)C(C)C)=C2O,"InChI=1S/C25H36O5/c1-13(2)9-10-25-12-17(14(3)4)29-23(25)16(11-18-24(7,8)30-18)21(27)19(22(25)28)20(26)15(5)6/h9,14-15,17-18,28H,10-12H2,1-8H3",OIQBFSJIAYCREW,UHFFFAOYSA,N,Colupox b,OIQBFSJIAYCREW-UHFFFAOYSA-N
HMDB39599,928.169822836,C45H36O22,OC1=CC(=CC(O)=C1O)C1OC2=C(CC3=C4OC(C(CC4=C(O)C=C3O)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC(O)=C(O)C(O)=C3)C(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C45H36O22/c46-22-12-24(48)20-10-34(64-44(62)16-5-30(54)38(60)31(55)6-16)40(14-1-26(50)36(58)27(51)2-14)66-42(20)18(22)9-19-23(47)13-25(49)21-11-35(65-45(63)17-7-32(56)39(61)33(57)8-17)41(67-43(19)21)15-3-28(52)37(59)29(53)4-15/h1-8,12-13,34-35,40-41,46-61H,9-11H2",BJFGFQSYHAXQPO,UHFFFAOYSA,N,Oolonghomobisflavan A,BJFGFQSYHAXQPO-UHFFFAOYSA-N
HMDB39600,928.169822836,C45H36O22,OC1=CC(=CC(O)=C1O)C1OC2=C(CC1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=C(CC1=C3OC(C(CC3=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1)C(O)=C2,"InChI=1S/C45H36O22/c46-22-12-23(47)20-10-34(65-44(62)16-5-29(53)39(60)30(54)6-16)42(15-3-27(51)38(59)28(52)4-15)67-43(20)19(22)9-18-24(48)13-33-21(36(18)57)11-35(41(64-33)14-1-25(49)37(58)26(50)2-14)66-45(63)17-7-31(55)40(61)32(56)8-17/h1-8,12-13,34-35,41-42,46-61H,9-11H2",FKRUMFFNBGSGGM,UHFFFAOYSA,N,Oolonghomobisflavan B,FKRUMFFNBGSGGM-UHFFFAOYSA-N
HMDB39601,328.094688244,C18H16O6,OCC1C(OC2=C1C=C(\C=C/C=O)C=C2O)C1=CC(O)=C(O)C=C1,"InChI=1S/C18H16O6/c19-5-1-2-10-6-12-13(9-20)17(24-18(12)16(23)7-10)11-3-4-14(21)15(22)8-11/h1-8,13,17,20-23H,9H2/b2-1-",CGSLPFBMGQUTKF,UPHRSURJSA,N,Americanin D,CGSLPFBMGQUTKF-UPHRSURJSA-N
HMDB39602,428.329045274,C28H44O3,CC(C)C(C)\C=C\C(C)C1CC(O)C2C34CC=C5CC(O)CCC5(C)C3(CCC12C)O4,"InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-16-23(30)24-25(22,5)13-14-28-26(6)11-10-21(29)15-20(26)9-12-27(24,28)31-28/h7-9,17-19,21-24,29-30H,10-16H2,1-6H3/b8-7+",HXIUWYSJPGHECU,BQYQJAHWSA,N,"(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol",HXIUWYSJPGHECU-BQYQJAHWSA-N
HMDB39603,294.219494826,C18H30O3,CCCCCC1=C(C)C(C)=C(CCCCCCC(O)=O)O1,"InChI=1S/C18H30O3/c1-4-5-8-11-16-14(2)15(3)17(21-16)12-9-6-7-10-13-18(19)20/h4-13H2,1-3H3,(H,19,20)",RFNALLFQILGKLF,UHFFFAOYSA,N,"3,4-Dimethyl-5-pentyl-2-furanheptanoic acid",RFNALLFQILGKLF-UHFFFAOYSA-N
HMDB39604,596.465204402,C35H64O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(O)CCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3",FGLYVGRJXTUDRE,UHFFFAOYSA,N,Isoannoreticuin,FGLYVGRJXTUDRE-UHFFFAOYSA-N
HMDB39605,596.465204402,C35H64O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(O)CCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3",KMWNDWVUJGIBII,UHFFFAOYSA,N,Annoreticuin,KMWNDWVUJGIBII-UHFFFAOYSA-N
HMDB39606,194.057908808,C10H10O4,OCC1OC1C#CC#CC1OC1CO,"InChI=1S/C10H10O4/c11-5-9-7(13-9)3-1-2-4-8-10(6-12)14-8/h7-12H,5-6H2",BQWDCZPSFPXRCB,UHFFFAOYSA,N,Repandiol,BQWDCZPSFPXRCB-UHFFFAOYSA-N
HMDB39607,316.13107375,C18H20O5,CC1CCCC2=C1C1OC(=O)\C(=C/OC3OC(=O)C(C)=C3)C1C2,"InChI=1S/C18H20O5/c1-9-4-3-5-11-7-12-13(18(20)23-16(12)15(9)11)8-21-14-6-10(2)17(19)22-14/h6,8-9,12,14,16H,3-5,7H2,1-2H3/b13-8-",KHSREFIWULNDAB,JYRVWZFOSA,N,Sorgolactone,KHSREFIWULNDAB-JYRVWZFOSA-N
HMDB39608,622.480854466,C37H66O7,CCCCCCCCCCCC\C=C\CCC(O)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(39)34(40)24-25-35(41)36-26-23-32(44-36)21-18-16-17-20-31(38)28-30-27-29(2)43-37(30)42/h14-15,27,29,31-36,38-41H,3-13,16-26,28H2,1-2H3/b15-14+",LFIZQGRMDGWRQH,CCEZHUSRSA,N,Gigantetronenin,LFIZQGRMDGWRQH-CCEZHUSRSA-N
HMDB39609,336.136159128,C21H20O4,OC1=CC=C(C\C=C\C(=O)CC(=O)\C=C/CC2=CC=C(O)C=C2)C=C1,"InChI=1S/C21H20O4/c22-18-11-7-16(8-12-18)3-1-5-20(24)15-21(25)6-2-4-17-9-13-19(23)14-10-17/h1-2,5-14,22-23H,3-4,15H2/b5-1-,6-2+",YIKBSQXTKGFYHB,SOSXVSKCSA,N,Curcumin III,YIKBSQXTKGFYHB-SOSXVSKCSA-N
HMDB39610,366.146723814,C22H22O5,COC1=C(O)C=CC(C\C=C\C(=O)CC(=O)\C=C/CC2=CC=C(O)C=C2)=C1,"InChI=1S/C22H22O5/c1-27-22-14-17(10-13-21(22)26)5-3-7-20(25)15-19(24)6-2-4-16-8-11-18(23)12-9-16/h2-3,6-14,23,26H,4-5,15H2,1H3/b6-2-,7-3+",RGMADVSAJHLTDE,MFDSWNTHSA,N,Curcumin II,RGMADVSAJHLTDE-MFDSWNTHSA-N
HMDB39611,396.1572885,C23H24O6,COC1=C(O)C=CC(C\C=C\C(=O)CC(=O)\C=C/CC2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C23H24O6/c1-28-22-13-16(9-11-20(22)26)5-3-7-18(24)15-19(25)8-4-6-17-10-12-21(27)23(14-17)29-2/h3-4,7-14,26-27H,5-6,15H2,1-2H3/b7-3-,8-4+",COTOOGZUELSHJZ,KYPMKJFLSA,N,Curcumin I,COTOOGZUELSHJZ-KYPMKJFLSA-N
HMDB39612,240.07864425,C15H12O3,OC1=CC(O)=C(\C=C\C(=O)C2=CC=CC=C2)C=C1,"InChI=1S/C15H12O3/c16-13-8-6-12(15(18)10-13)7-9-14(17)11-4-2-1-3-5-11/h1-10,16,18H/b9-7+",LKNPFZQVNZFLIC,VQHVLOKHSA,N,"2,4-Dihydroxychalcone",LKNPFZQVNZFLIC-VQHVLOKHSA-N
HMDB39613,330.18310932,C20H26O4,CC(C)C1=CC(=C(C)C(O)=C1O)C1=C(C)C(O)=C(O)C(=C1)C(C)C,"InChI=1S/C20H26O4/c1-9(2)13-7-15(11(5)17(21)19(13)23)16-8-14(10(3)4)20(24)18(22)12(16)6/h7-10,21-24H,1-6H3",BUKCOURGDZTOBF,UHFFFAOYSA,N,"3,3',4,4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl",BUKCOURGDZTOBF-UHFFFAOYSA-N
HMDB39614,314.188194698,C20H26O3,CC(C)C1=CC(=C(C)C(O)=C1O)C1=CC(C(C)C)=C(O)C=C1C,"InChI=1S/C20H26O3/c1-10(2)14-8-16(12(5)7-18(14)21)17-9-15(11(3)4)20(23)19(22)13(17)6/h7-11,21-23H,1-6H3",HNHWYZDOESMBLD,UHFFFAOYSA,N,"3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl",HNHWYZDOESMBLD-UHFFFAOYSA-N
HMDB39615,468.323959896,C30H44O4,CC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O,"InChI=1S/C30H44O4/c1-19(2)11-15-29(16-12-20(3)4)26(32)24(25(31)23(9)10)27(33)30(28(29)34,17-13-21(5)6)18-14-22(7)8/h11-14,23,32H,15-18H2,1-10H3",KPPHPIMYCLGAER,UHFFFAOYSA,N,Colupone,KPPHPIMYCLGAER-UHFFFAOYSA-N
HMDB39616,260.068473494,C14H12O5,COC1=CC(=O)C2=C(C(O)=C(C(C)=O)C(C)=C2)C1=O,"InChI=1S/C14H12O5/c1-6-4-8-9(16)5-10(19-3)13(17)12(8)14(18)11(6)7(2)15/h4-5,18H,1-3H3",RRQIDDGRIQVTGM,UHFFFAOYSA,N,Orientalone,RRQIDDGRIQVTGM-UHFFFAOYSA-N
HMDB39617,384.120902994,C21H20O7,OC1C(O)C(O)(COC(=O)C2=CC=CC=C2)C=CC1OC(=O)C1=CC=CC=C1,"InChI=1S/C21H20O7/c22-17-16(28-20(25)15-9-5-2-6-10-15)11-12-21(26,18(17)23)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2",PCFGXGDGOLIQTE,UHFFFAOYSA,N,Piperenol B,PCFGXGDGOLIQTE-UHFFFAOYSA-N
HMDB39618,130.099379692,C7H14O2,CCCOC(=O)CCC,"InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3",HUAZGNHGCJGYNP,UHFFFAOYSA,N,Propyl butyrate,HUAZGNHGCJGYNP-UHFFFAOYSA-N
HMDB39619,130.099379692,C7H14O2,CCCC(=O)OC(C)C,"InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3",FFOPEPMHKILNIT,UHFFFAOYSA,N,Isopropyl butyrate,FFOPEPMHKILNIT-UHFFFAOYSA-N
HMDB39620,144.115029756,C8H16O2,CCCCOC(=O)CCC,"InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3",XUPYJHCZDLZNFP,UHFFFAOYSA,N,Butyl butyrate,XUPYJHCZDLZNFP-UHFFFAOYSA-N
HMDB39621,234.161979948,C15H22O2,C\C(=C\CCC1(C)C2CCC(C2)C1=C)C(O)=O,"InChI=1S/C15H22O2/c1-10(14(16)17)5-4-8-15(3)11(2)12-6-7-13(15)9-12/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/b10-5-",PMCPDNGTLRPFQQ,YHYXMXQVSA,N,beta-Santalic acid,PMCPDNGTLRPFQQ-YHYXMXQVSA-N
HMDB39622,348.1572885,C19H24O6,CC12CC(O)C(O)C3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-13(12(18)15(22)23)17(2,16(24)25-19)7-10(20)14(19)21/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)",ZRNQDBNUGCCKBO,UHFFFAOYSA,N,Gibberellin A90,ZRNQDBNUGCCKBO-UHFFFAOYSA-N
HMDB39623,364.152203122,C19H24O7,CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)C(O)C2O)C(=C)C5,"InChI=1S/C19H24O7/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(23)24)17(2,16(25)26-19)13(21)11(20)14(19)22/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)",PVXFGQIIGNNJHW,UHFFFAOYSA,N,Gibberellin A79,PVXFGQIIGNNJHW-UHFFFAOYSA-N
HMDB39624,916.169822836,C44H36O22,OC1=CC(O)=C(CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC(O)=C(O)C(O)=C2)C2=C(O)C3=C(OC(C(C3)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC(O)=C(O)C(O)=C3)C=C2O)C(O)=C1,"InChI=1S/C44H36O22/c45-18-9-21(46)19(22(47)10-18)11-33(65-43(62)16-5-28(53)40(60)29(54)6-16)35(14-1-24(49)38(58)25(50)2-14)36-23(48)13-32-20(37(36)57)12-34(42(64-32)15-3-26(51)39(59)27(52)4-15)66-44(63)17-7-30(55)41(61)31(56)8-17/h1-10,13,33-35,42,45-61H,11-12H2",BQUPFUJDKCDVAE,UHFFFAOYSA,N,Assamicain C,BQUPFUJDKCDVAE-UHFFFAOYSA-N
HMDB39625,332.074346732,C13H16O10,OCC1OC(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(13(21)22-7)23-12(20)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-19,21H,3H2",DZAITDYEHYKPKZ,UHFFFAOYSA,N,2-Galloylglucose,DZAITDYEHYKPKZ-UHFFFAOYSA-N
HMDB39626,1222.13461912,C56H38O32,OC1CC2=C(O)C(C3C4OC(=O)C5=C3C(O)=C(O)C(O)=C5C3=C5C(=C(O)C(O)=C3O)C3=CC(=C(O)C(O)=C3O)C(=O)OC3COC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(C=C(O)C(O)=C6O)C(=O)OC3C4OC5=O)=C(O)C=C2OC1C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C56H38O32/c57-15-7-21-10(4-20(62)48(84-21)9-1-16(58)36(66)17(59)2-9)33(63)26(15)30-29-32-28(43(73)47(77)44(29)74)27-31-23(41(71)46(76)42(27)72)11-3-14(35(65)45(75)34(11)64)54(80)85-22-8-83-52(78)12-5-18(60)37(67)39(69)24(12)25-13(6-19(61)38(68)40(25)70)53(79)86-49(22)51(88-55(31)81)50(30)87-56(32)82/h1-3,5-7,20,22,30,48-51,57-77H,4,8H2",TVSNZNUKUFVIQS,UHFFFAOYSA,N,Guajavin B,TVSNZNUKUFVIQS-UHFFFAOYSA-N
HMDB39627,1190.10840437,C55H34O31,OC1CC2=C(O)C=C(O)C3=C2OC1C1=CC(=O)C2(O)C1C1(OC2=O)C2C4=C(C3C(OC4=O)C3OC(=O)C4=C2C(O)=C(O)C(O)=C4C2=CC(=C(O)C(O)=C2O)C(=O)OC2COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC32)C1=O,"InChI=1S/C55H34O31/c56-14-6-15(57)24-25-26-29-30(55(47(26)72)46-13(5-20(61)54(46,79)53(78)86-55)41-18(60)2-8(14)42(24)82-41)28-27-21(37(68)40(71)38(28)69)9-1-12(32(63)39(70)31(9)62)50(75)81-19-7-80-48(73)10-3-16(58)33(64)35(66)22(10)23-11(4-17(59)34(65)36(23)67)49(74)83-43(19)45(85-51(27)76)44(25)84-52(29)77/h1,3-6,18-19,25,30,41,43-46,56-60,62-71,79H,2,7H2",VSPCKOOTYYLLDQ,UHFFFAOYSA,N,Psiguavin,VSPCKOOTYYLLDQ-UHFFFAOYSA-N
HMDB39628,1194.139704498,C55H38O31,OC1CC2=C(O)C=C3OC45C(C6OC(=O)C4C(=C(O)C5=O)C4=C(C=C(O)C(O)=C4O)C(=O)OC6C4OC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(C=C(O)C(O)=C5O)C(=O)OCC4OC(=O)C4=CC(O)=C(O)C(O)=C4)C3=C2OC1C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C55H38O31/c56-17-9-26-31(45-13(17)5-25(64)44(82-45)11-1-18(57)35(65)19(58)2-11)33-47-48(85-53(78)16-8-24(63)39(69)42(72)30(16)32-34(54(79)84-47)55(33,86-26)49(74)43(32)73)46-27(81-50(75)12-3-20(59)36(66)21(60)4-12)10-80-51(76)14-6-22(61)37(67)40(70)28(14)29-15(52(77)83-46)7-23(62)38(68)41(29)71/h1-4,6-9,25,27,33-34,44,46-48,56-73H,5,10H2",NIFMLTJCPJDRJC,UHFFFAOYSA,N,Psidinin C,NIFMLTJCPJDRJC-UHFFFAOYSA-N
HMDB39629,1858.230883084,C83H62O50,OC(C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=C(C(O)=C(O)C(O)=C2OC2=C(O)C(O)=CC(=C2)C(=O)OC2C(O)OC3COC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(O)C(O)=C(O)C=C4C(=O)OC3C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C(=O)OCC1O)C1=C2OC(C(O)CC2=C(O)C=C1O)C1=CC=C(O)C(O)=C1,"InChI=1S/C83H62O50/c84-26-2-1-17(3-28(26)86)66-38(96)8-20-27(85)14-29(87)47(67(20)127-66)63(111)71-72(132-81(120)25-13-37(95)55(103)60(108)45(25)44-24(80(119)130-71)12-36(94)54(102)59(44)107)68-39(97)15-123-77(116)22-10-34(92)56(104)61(109)46(22)48-49(82(121)128-68)70(65(113)64(112)62(48)110)125-40-7-19(6-32(90)51(40)99)76(115)133-74-73(131-75(114)18-4-30(88)50(98)31(89)5-18)69-41(126-83(74)122)16-124-78(117)21-9-33(91)52(100)57(105)42(21)43-23(79(118)129-69)11-35(93)53(101)58(43)106/h1-7,9-14,38-39,41,63,66,68-69,71-74,83-113,122H,8,15-16H2",YSIQEPGHPZCYPD,UHFFFAOYSA,N,Camellianin D,YSIQEPGHPZCYPD-UHFFFAOYSA-N
HMDB39630,264.20893014,C17H28O2,CC(C)=CCC\C(C)=C\CCC(C)(OC(C)=O)C=C,"InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12+",PRNJXUQTUSFYLV,NTCAYCPXSA,N,Nerolidyl acetate,PRNJXUQTUSFYLV-NTCAYCPXSA-N
HMDB39631,544.267232878,C30H40O9,CC(C1CC(C)=C(C)C(=O)O1)C12OC1C(OC(C)=O)C1(O)C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC21C,"InChI=1S/C30H40O9/c1-14-12-20(38-25(34)15(14)2)16(3)30-24(39-30)23(37-17(4)31)29(36)19-13-22(33)28(35)10-7-8-21(32)27(28,6)18(19)9-11-26(29,30)5/h7-8,16,18-20,22-24,33,35-36H,9-13H2,1-6H3",XIINLGCQYPFDPD,UHFFFAOYSA,N,Physagulin F,XIINLGCQYPFDPD-UHFFFAOYSA-N
HMDB39632,311.152143543,C19H21NO3,COC(CNC(=O)\C=C\C1=CC=CC=C1)C1=CC=C(OC)C=C1,"InChI=1S/C19H21NO3/c1-22-17-11-9-16(10-12-17)18(23-2)14-20-19(21)13-8-15-6-4-3-5-7-15/h3-13,18H,14H2,1-2H3,(H,20,21)/b13-8+",PJIOBHFHQZPYOX,MDWZMJQESA,N,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide,PJIOBHFHQZPYOX-MDWZMJQESA-N
HMDB39633,325.167793607,C20H23NO3,CCOC(CNC(=O)\C=C\C1=CC=CC=C1)C1=CC=C(OC)C=C1,"InChI=1S/C20H23NO3/c1-3-24-19(17-10-12-18(23-2)13-11-17)15-21-20(22)14-9-16-7-5-4-6-8-16/h4-14,19H,3,15H2,1-2H3,(H,21,22)/b14-9+",LXXLURHVWSXSJP,NTEUORMPSA,N,N-[2-Ethoxy-2-(4-methoxyphenyl)ethyl]cinnamide,LXXLURHVWSXSJP-NTEUORMPSA-N
HMDB39634,384.120902994,C21H20O7,OC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C2=CC=CC=C2)C1O,"InChI=1S/C21H20O7/c22-16-11-15(12-27-20(25)13-7-3-1-4-8-13)17(23)19(18(16)24)28-21(26)14-9-5-2-6-10-14/h1-11,16-19,22-24H,12H2",ZOJARMGZFXZIBH,UHFFFAOYSA,N,Piperenol A,ZOJARMGZFXZIBH-UHFFFAOYSA-N
HMDB39635,250.15689457,C15H22O3,C\C(=C/CO)\C=C\C1(O)C(C)=CC(=O)CC1(C)C,"InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,16,18H,8,10H2,1-4H3/b7-5+,11-6+",GRJFTUSJGMRSSJ,YXJPLFFZSA,N,Abscisic alcohol,GRJFTUSJGMRSSJ-YXJPLFFZSA-N
HMDB39636,412.209718,C21H32O8,C\C(=C/COC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+",PMGQCIZHFNQTAO,YTEPGLGFSA,N,Abscisic alcohol 11-glucoside,PMGQCIZHFNQTAO-YTEPGLGFSA-N
HMDB39637,218.167065326,C15H22O,CC(=C)C1CC(=C(C)C)C(=O)CC1(C)C=C,"InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3",ABLPGPHZENVRRH,UHFFFAOYSA,N,beta-Elemenone,ABLPGPHZENVRRH-UHFFFAOYSA-N
HMDB39638,174.025168892,C9H6N2S,N1C2=C(C=NS2)C2=CC=CC=C12,"InChI=1S/C9H6N2S/c1-2-4-8-6(3-1)7-5-10-12-9(7)11-8/h1-5,11H",NHMBEDDKDVIBQD,UHFFFAOYSA,N,Brassilexin,NHMBEDDKDVIBQD-UHFFFAOYSA-N
HMDB39639,526.18389718,C28H30O10,CC12OC(=O)C3CCC4C(O)(C=CC5(O)CC=CC(=O)C45C)C45OCC6C(=O)OC1CC6(C)C4C23OC5=O,"InChI=1S/C28H30O10/c1-22-11-17-24(3)27-13(19(31)37-24)6-7-15-23(2)16(29)5-4-8-25(23,33)9-10-26(15,34)28(20(22)27,21(32)38-27)35-12-14(22)18(30)36-17/h4-5,9-10,13-15,17,20,33-34H,6-8,11-12H2,1-3H3",WKKNNSSKEXVLKY,UHFFFAOYSA,N,Physalin P,WKKNNSSKEXVLKY-UHFFFAOYSA-N
HMDB39640,673.262892555,C28H43N5O12S,CCC1(C)OC2=CC(C(O)C(NC)C(=O)NC(C(C)C)C(=O)NC1C(=O)NCC(O)=O)=C(C=C2O)S(=O)CC(O)CC(N)C(O)=O,"InChI=1S/C28H43N5O12S/c1-6-28(4)23(26(41)31-10-19(36)37)33-24(39)20(12(2)3)32-25(40)21(30-5)22(38)14-8-17(45-28)16(35)9-18(14)46(44)11-13(34)7-15(29)27(42)43/h8-9,12-13,15,20-23,30,34-35,38H,6-7,10-11,29H2,1-5H3,(H,31,41)(H,32,40)(H,33,39)(H,36,37)(H,42,43)",QRLBQXQEGMBXFM,UHFFFAOYSA,N,Ustiloxin A,QRLBQXQEGMBXFM-UHFFFAOYSA-N
HMDB39641,514.293053698,C30H42O7,CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O,"InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21,23,35H,8-14H2,1-7H3,(H,36,37)",KIJCKCLHIXLFEW,UHFFFAOYSA,N,Ganoderic acid J,KIJCKCLHIXLFEW-UHFFFAOYSA-N
HMDB39642,440.36543078,C30H48O2,CC1C2C3=CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1(C)O,"InChI=1S/C30H48O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h9,19,21-22,24,32H,10-18H2,1-8H3",JGOGEYGCWRVPQA,UHFFFAOYSA,N,Rofficerone,JGOGEYGCWRVPQA-UHFFFAOYSA-N
HMDB39643,192.115029756,C12H16O2,CC(CCC(O)=O)C1=CC=C(C)C=C1,"InChI=1S/C12H16O2/c1-9-3-6-11(7-4-9)10(2)5-8-12(13)14/h3-4,6-7,10H,5,8H2,1-2H3,(H,13,14)",WSXBHPNNXXHZAP,UHFFFAOYSA,N,"11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid",WSXBHPNNXXHZAP-UHFFFAOYSA-N
HMDB39644,250.15689457,C15H22O3,CC1CCC(O)C(C)(C)OC2=C1C=C(O)C(C)=C2,"InChI=1S/C15H22O3/c1-9-5-6-14(17)15(3,4)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3",FWVBSUZWRAYTJB,UHFFFAOYSA,N,Heliannuol A,FWVBSUZWRAYTJB-UHFFFAOYSA-N
HMDB39645,604.433904274,C36H60O7,CC(C)=CC\C=C(\C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C36H60O7/c1-20(2)10-9-11-21(3)22-12-16-36(8)28(22)23(38)18-26-34(6)15-14-27(33(4,5)25(34)13-17-35(26,36)7)43-32-31(41)30(40)29(39)24(19-37)42-32/h10-11,22-32,37-41H,9,12-19H2,1-8H3/b21-11-",PHLXREOMFNVWOH,NHDPSOOVSA,N,Ginsenoside Rh3,PHLXREOMFNVWOH-NHDPSOOVSA-N
HMDB39646,654.434298204,C36H62O10,CC(=C)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C,"InChI=1S/C36H62O10/c1-18(2)20(38)10-14-36(8,46-31-29(44)28(43)27(42)23(17-37)45-31)19-9-13-34(6)26(19)21(39)15-24-33(5)12-11-25(41)32(3,4)30(33)22(40)16-35(24,34)7/h19-31,37-44H,1,9-17H2,2-8H3",YWQANVSRCZLIRL,UHFFFAOYSA,N,Ginsenoside M7cd,YWQANVSRCZLIRL-UHFFFAOYSA-N
HMDB39647,782.481642326,C42H70O13,CC(C)=CC1CC(C)(OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)O1,"InChI=1S/C42H70O13/c1-20(2)15-21-17-42(8,55-37-35(50)33(48)31(46)25(19-44)53-37)22-9-13-41(7)29(22)23(51-21)16-27-39(5)12-11-28(38(3,4)26(39)10-14-40(27,41)6)54-36-34(49)32(47)30(45)24(18-43)52-36/h15,21-37,43-50H,9-14,16-19H2,1-8H3",HXXZFHABSSZFHB,UHFFFAOYSA,N,Ginsenoside La,HXXZFHABSSZFHB-UHFFFAOYSA-N
HMDB39648,233.879374332,C3H6S6,C1SCSSSCSS1,InChI=1S/C3H6S6/c1-4-2-7-9-8-3-6-5-1/h1-3H2,ZOJCTXCAPUGEKN,UHFFFAOYSA,N,"1,2,3,5,6,8-Hexathionane",ZOJCTXCAPUGEKN-UHFFFAOYSA-N
HMDB39649,514.293053698,C30H42O7,C\C(=C/CCC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(O)=O,"InChI=1S/C30H42O7/c1-16(25(35)36)9-8-11-29(6,37)20-14-22(34)30(7)24-17(31)13-19-26(2,3)21(33)10-12-27(19,4)23(24)18(32)15-28(20,30)5/h9,19-21,33,37H,8,10-15H2,1-7H3,(H,35,36)/b16-9+",FELIGGHUKPABHF,CXUHLZMHSA,N,Ganoderic acid V1,FELIGGHUKPABHF-CXUHLZMHSA-N
HMDB39650,184.073558872,C9H12O4,C\C=C(\C=O)C(CC=O)CC(O)=O,"InChI=1S/C9H12O4/c1-2-7(6-11)8(3-4-10)5-9(12)13/h2,4,6,8H,3,5H2,1H3,(H,12,13)/b7-2-",DBMWDRVDXUPGBP,UQCOIBPSSA,N,4-Formyl-3-(formylmethyl)-4-hexenoic acid,DBMWDRVDXUPGBP-UQCOIBPSSA-N
HMDB39651,140.083729628,C8H12O2,CCCC1CCC(=O)C1=O,"InChI=1S/C8H12O2/c1-2-3-6-4-5-7(9)8(6)10/h6H,2-5H2,1H3",QBJXYRWUKSOXQY,UHFFFAOYSA,N,"3-Propyl-1,2-cyclopentanedione",QBJXYRWUKSOXQY-UHFFFAOYSA-N
HMDB39652,140.083729628,C8H12O2,CC1C(C)C(=O)C(O)=C1C,"InChI=1S/C8H12O2/c1-4-5(2)7(9)8(10)6(4)3/h4-5,10H,1-3H3",RMXYMRMUZJILGN,UHFFFAOYSA,N,"2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one",RMXYMRMUZJILGN-UHFFFAOYSA-N
HMDB39653,148.055800318,C6H12O2S,CC1OC(C)SC(C)O1,"InChI=1S/C6H12O2S/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3",WUHFWXZFUPGXHX,UHFFFAOYSA,N,"2,4,6-Trimethyl-1,3,5-dioxathiane",WUHFWXZFUPGXHX-UHFFFAOYSA-N
HMDB39654,182.025762518,C6H14S3,CCSSC(CC)SC,"InChI=1S/C6H14S3/c1-4-6(7-3)9-8-5-2/h6H,4-5H2,1-3H3",YPJBMNWGGROJKJ,UHFFFAOYSA,N,Ethyl 1-(methylthio)propyl disulfide,YPJBMNWGGROJKJ-UHFFFAOYSA-N
HMDB39655,179.094628665,C10H13NO2,C\C(O)=C1\CC(=O)C2=C1CCCN2,"InChI=1S/C10H13NO2/c1-6(12)8-5-9(13)10-7(8)3-2-4-11-10/h11-12H,2-5H2,1H3/b8-6+",BJPWZQDKNZJLFC,SOFGYWHQSA,N,"1,2,3,4,5,6-Hexahydro-5-(1-hydroxyethylidene)-7H-cyclopenta[b]pyridin-7-one",BJPWZQDKNZJLFC-SOFGYWHQSA-N
HMDB39656,203.094628665,C12H13NO2,O=C1CC(C2=C1NCCC2)C1=CC=CO1,"InChI=1S/C12H13NO2/c14-10-7-9(11-4-2-6-15-11)8-3-1-5-13-12(8)10/h2,4,6,9,13H,1,3,5,7H2",ORZSZFCROJSVII,UHFFFAOYSA,N,"5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one",ORZSZFCROJSVII-UHFFFAOYSA-N
HMDB39657,137.084063979,C8H11NO,O=C1CCC2=C1NCCC2,"InChI=1S/C8H11NO/c10-7-4-3-6-2-1-5-9-8(6)7/h9H,1-5H2",JOAMMKKZSZEDHD,UHFFFAOYSA,N,"1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one",JOAMMKKZSZEDHD-UHFFFAOYSA-N
HMDB39658,151.099714043,C9H13NO,CC1CC(=O)C2=C1CCCN2,"InChI=1S/C9H13NO/c1-6-5-8(11)9-7(6)3-2-4-10-9/h6,10H,2-5H2,1H3",VLZZXKFOOXABOV,UHFFFAOYSA,N,"1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one",VLZZXKFOOXABOV-UHFFFAOYSA-N
HMDB39659,151.099714043,C9H13NO,CC1CC2=C(NCCC2)C1=O,"InChI=1S/C9H13NO/c1-6-5-7-3-2-4-10-8(7)9(6)11/h6,10H,2-5H2,1H3",LFRLCCUBWRWDCF,UHFFFAOYSA,N,"1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one",LFRLCCUBWRWDCF-UHFFFAOYSA-N
HMDB39660,274.120509064,C16H18O4,COC1=C(O)C2=C(C=C1C)C(=CC(O)=C2C=O)C(C)C,"InChI=1S/C16H18O4/c1-8(2)10-6-13(18)12(7-17)14-11(10)5-9(3)16(20-4)15(14)19/h5-8,18-19H,1-4H3",WDKQNEBNLKMOLB,UHFFFAOYSA,N,Gossyvertin,WDKQNEBNLKMOLB-UHFFFAOYSA-N
HMDB39661,163.099714043,C10H13NO,CC1CC2=C(NCCC=C2)C1=O,"InChI=1S/C10H13NO/c1-7-6-8-4-2-3-5-11-9(8)10(7)12/h2,4,7,11H,3,5-6H2,1H3",ILPLRBRVDMHSCS,UHFFFAOYSA,N,"2,3,6,7-Tetrahydro-7-methylcyclopent[b]azepin-8(1H)-one",ILPLRBRVDMHSCS-UHFFFAOYSA-N
HMDB39662,149.084063979,C9H11NO,O=C1CCC2=C1NCCC=C2,"InChI=1S/C9H11NO/c11-8-5-4-7-3-1-2-6-10-9(7)8/h1,3,10H,2,4-6H2",HGKSXIDVUZUHNI,UHFFFAOYSA,N,"2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one",HGKSXIDVUZUHNI-UHFFFAOYSA-N
HMDB39663,151.099714043,C9H13NO,O=C1CCC2=C1NCCCC2,"InChI=1S/C9H13NO/c11-8-5-4-7-3-1-2-6-10-9(7)8/h10H,1-6H2",XZTJVKYWRODILK,UHFFFAOYSA,N,"2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one",XZTJVKYWRODILK-UHFFFAOYSA-N
HMDB39664,177.115364107,C11H15NO,CCC1CC2=C(NCCC=C2)C1=O,"InChI=1S/C11H15NO/c1-2-8-7-9-5-3-4-6-12-10(9)11(8)13/h3,5,8,12H,2,4,6-7H2,1H3",PESXRLFXJXVCHS,UHFFFAOYSA,N,"7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one",PESXRLFXJXVCHS-UHFFFAOYSA-N
HMDB39665,165.115364107,C10H15NO,CCC1CC(=O)C2=C1CCCN2,"InChI=1S/C10H15NO/c1-2-7-6-9(12)10-8(7)4-3-5-11-10/h7,11H,2-6H2,1H3",NGMCKGVAXGETLC,UHFFFAOYSA,N,"5-Ethyl-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one",NGMCKGVAXGETLC-UHFFFAOYSA-N
HMDB39666,165.115364107,C10H15NO,CCC1CC2=C(NCCC2)C1=O,"InChI=1S/C10H15NO/c1-2-7-6-8-4-3-5-11-9(8)10(7)12/h7,11H,2-6H2,1H3",GOTCNQZLHJWEAK,UHFFFAOYSA,N,"6-Ethyl-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one",GOTCNQZLHJWEAK-UHFFFAOYSA-N
HMDB39667,177.115364107,C11H15NO,CC1C(C)C2=C(NCCC=C2)C1=O,"InChI=1S/C11H15NO/c1-7-8(2)11(13)10-9(7)5-3-4-6-12-10/h3,5,7-8,12H,4,6H2,1-2H3",IWVJMIGICFUHHO,UHFFFAOYSA,N,"2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one",IWVJMIGICFUHHO-UHFFFAOYSA-N
HMDB39668,188.141244506,C10H20O3,CCCCCCC1OCC(O)CO1,"InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-7-9(11)8-13-10/h9-11H,2-8H2,1H3",ZIWLHBBLQRQFSA,UHFFFAOYSA,N,"2-Hexyl-1,3-dioxan-5-ol",ZIWLHBBLQRQFSA-UHFFFAOYSA-N
HMDB39669,188.141244506,C10H20O3,CCCCCCC1OCC(CO)O1,"InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-11H,2-8H2,1H3",TYRXGKKCQUIWGI,UHFFFAOYSA,N,"2-Hexyl-1,3-dioxolane-4-methanol",TYRXGKKCQUIWGI-UHFFFAOYSA-N
HMDB39670,230.043521072,C10H14O2S2,CC1=C(CCO1)SSC1=C(C)OCC1,"InChI=1S/C10H14O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H2,1-2H3",KMPMFKJGGUSVMW,UHFFFAOYSA,N,"3,3'-Dithiobis[4,5-dihydro-2-methylfuran]",KMPMFKJGGUSVMW-UHFFFAOYSA-N
HMDB39671,234.173213336,C14H22N2O,CC1(CC=C(N2CCCC2)C1=O)N1CCCC1,"InChI=1S/C14H22N2O/c1-14(16-10-4-5-11-16)7-6-12(13(14)17)15-8-2-3-9-15/h6H,2-5,7-11H2,1H3",LHZWOGDJILLEFO,UHFFFAOYSA,N,"5-Methyl-2,5-di-1-pyrrolidinyl-2-cyclopenten-1-one",LHZWOGDJILLEFO-UHFFFAOYSA-N
HMDB39672,1164.565765884,C66H84O18,CC1=CC=C(C=C1)C1OCC(CO)O1.CC1=CC=C(C=C1)C1OCC(O)CO1.CC1=CC(=CC=C1)C1OCC(CO)O1.CC1=CC(=CC=C1)C1OCC(O)CO1.CC1=CC=CC=C1C1OCC(CO)O1.CC1=CC=CC=C1C1OCC(O)CO1,"InChI=1S/6C11H14O3/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11;1-8-2-4-9(5-3-8)11-13-7-10(6-12)14-11;1-8-3-2-4-9(5-8)11-13-6-10(12)7-14-11;1-8-3-2-4-9(5-8)11-13-7-10(6-12)14-11;1-8-4-2-3-5-10(8)11-13-6-9(12)7-14-11;1-8-4-2-3-5-10(8)11-13-7-9(6-12)14-11/h4*2-5,10-12H,6-7H2,1H3;2*2-5,9,11-12H,6-7H2,1H3",BMZXTVAOESSPPI,UHFFFAOYSA,N,Tolualdehyde glyceryl acetal,BMZXTVAOESSPPI-UHFFFAOYSA-N
HMDB39673,140.083729628,C8H12O2,CCC1CC(=O)C(O)=C1C,"InChI=1S/C8H12O2/c1-3-6-4-7(9)8(10)5(6)2/h6,10H,3-4H2,1-2H3",FFJYTCCZZSZBGQ,UHFFFAOYSA,N,4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one,FFJYTCCZZSZBGQ-UHFFFAOYSA-N
HMDB39674,151.099714043,C9H13NO,O=C1CCC=C1N1CCCC1,"InChI=1S/C9H13NO/c11-9-5-3-4-8(9)10-6-1-2-7-10/h4H,1-3,5-7H2",ZWFIWLWLIXMBEA,UHFFFAOYSA,N,2-(1-Pyrrolidinyl)-2-cyclopenten-1-one,ZWFIWLWLIXMBEA-UHFFFAOYSA-N
HMDB39675,179.131014171,C11H17NO,CCC1=C(N2CCCC2)C(=O)CC1,"InChI=1S/C11H17NO/c1-2-9-5-6-10(13)11(9)12-7-3-4-8-12/h2-8H2,1H3",XYFITVFPQSIWES,UHFFFAOYSA,N,3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one,XYFITVFPQSIWES-UHFFFAOYSA-N
HMDB39676,179.131014171,C11H17NO,CCC1CC=C(N2CCCC2)C1=O,"InChI=1S/C11H17NO/c1-2-9-5-6-10(11(9)13)12-7-3-4-8-12/h6,9H,2-5,7-8H2,1H3",IDLBOFBAMNDNFR,UHFFFAOYSA,N,5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one,IDLBOFBAMNDNFR-UHFFFAOYSA-N
HMDB39677,179.131014171,C11H17NO,CC1CC(=O)C(N2CCCC2)=C1C,"InChI=1S/C11H17NO/c1-8-7-10(13)11(9(8)2)12-5-3-4-6-12/h8H,3-7H2,1-2H3",ASHYMNYOWDHCGV,UHFFFAOYSA,N,"3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one",ASHYMNYOWDHCGV-UHFFFAOYSA-N
HMDB39678,165.115364107,C10H15NO,CC1=C(N2CCCC2)C(=O)CC1,"InChI=1S/C10H15NO/c1-8-4-5-9(12)10(8)11-6-2-3-7-11/h2-7H2,1H3",SXIDVHLMAKILQP,UHFFFAOYSA,N,3-Methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one,SXIDVHLMAKILQP-UHFFFAOYSA-N
HMDB39679,165.115364107,C10H15NO,CC1CC=C(N2CCCC2)C1=O,"InChI=1S/C10H15NO/c1-8-4-5-9(10(8)12)11-6-2-3-7-11/h5,8H,2-4,6-7H2,1H3",OYIXGZDXSCZURQ,UHFFFAOYSA,N,5-Methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one,OYIXGZDXSCZURQ-UHFFFAOYSA-N
HMDB39680,140.083729628,C8H12O2,CC1CC(C)(C)C(=O)C1=O,"InChI=1S/C8H12O2/c1-5-4-8(2,3)7(10)6(5)9/h5H,4H2,1-3H3",GGXVKCBZJYLSCZ,UHFFFAOYSA,N,"3,5,5-Trimethyl-1,2-cyclopentanedione",GGXVKCBZJYLSCZ-UHFFFAOYSA-N
HMDB39681,140.083729628,C8H12O2,CC(C)C1CCC(=O)C1=O,"InChI=1S/C8H12O2/c1-5(2)6-3-4-7(9)8(6)10/h5-6H,3-4H2,1-2H3",QGJSBGJNGUBEKG,UHFFFAOYSA,N,"3-Isopropyl-1,2-cyclopentanedione",QGJSBGJNGUBEKG-UHFFFAOYSA-N
HMDB39682,165.115364107,C10H15NO,CC1CC2=C(NCCCC2)C1=O,"InChI=1S/C10H15NO/c1-7-6-8-4-2-3-5-11-9(8)10(7)12/h7,11H,2-6H2,1H3",RYGXXXQBRORLIJ,UHFFFAOYSA,N,"2,3,4,5,6,7-Hexahydro-7-methylcyclopent[b]azepin-8(1H)-one",RYGXXXQBRORLIJ-UHFFFAOYSA-N
HMDB39683,179.131014171,C11H17NO,CCC1CC2=C(NCCCC2)C1=O,"InChI=1S/C11H17NO/c1-2-8-7-9-5-3-4-6-12-10(9)11(8)13/h8,12H,2-7H2,1H3",RXFDRMNPYAIRFJ,UHFFFAOYSA,N,"7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one",RXFDRMNPYAIRFJ-UHFFFAOYSA-N
HMDB39684,179.131014171,C11H17NO,CC1C(C)C2=C(NCCCC2)C1=O,"InChI=1S/C11H17NO/c1-7-8(2)11(13)10-9(7)5-3-4-6-12-10/h7-8,12H,3-6H2,1-2H3",BLYRSJVTGQJCQI,UHFFFAOYSA,N,"2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one",BLYRSJVTGQJCQI-UHFFFAOYSA-N
HMDB39685,194.13067982,C12H18O2,CC(=O)OC\C(C)=C\C\C=C(/C)C=C,"InChI=1S/C12H18O2/c1-5-10(2)7-6-8-11(3)9-14-12(4)13/h5,7-8H,1,6,9H2,2-4H3/b10-7+,11-8+",RNKUOBQYBVPNSU,AMMQDNIMSA,N,8-Ocimenyl acetate,RNKUOBQYBVPNSU-AMMQDNIMSA-N
HMDB39686,179.131014171,C11H17NO,CC1C=C(N2CCCC2)C(=O)C1C,"InChI=1S/C11H17NO/c1-8-7-10(11(13)9(8)2)12-5-3-4-6-12/h7-9H,3-6H2,1-2H3",QIZMUNLEIQZDBA,UHFFFAOYSA,N,"trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one",QIZMUNLEIQZDBA-UHFFFAOYSA-N
HMDB39687,304.240230268,C20H32O2,CC1=CC2CCC3C(C)(CO)CC(O)CC3(C)C22CCC1C2,"InChI=1S/C20H32O2/c1-13-8-15-4-5-17-18(2,12-21)10-16(22)11-19(17,3)20(15)7-6-14(13)9-20/h8,14-17,21-22H,4-7,9-12H2,1-3H3",OXKYBEZXRLIPKC,UHFFFAOYSA,N,Oryzalexin S,OXKYBEZXRLIPKC-UHFFFAOYSA-N
HMDB39688,236.177630012,C15H24O2,CC(C)C1CC(O)C(=C)C2CCC(C12)C(C)=O,"InChI=1S/C15H24O2/c1-8(2)13-7-14(17)9(3)11-5-6-12(10(4)16)15(11)13/h8,11-15,17H,3,5-7H2,1-2,4H3",JNIVOKDEGVTPPC,UHFFFAOYSA,N,Tuberonone,JNIVOKDEGVTPPC-UHFFFAOYSA-N
HMDB39689,484.318874518,C30H44O5,CC12CC3(OC1=O)C1=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CCC3(C)CC2O,"InChI=1S/C30H44O5/c1-24(2)18-8-11-29(7)22(26(18,4)10-9-20(24)32)17(31)14-19-28(29,6)13-12-25(3)15-21(33)27(5)16-30(19,25)35-23(27)34/h14,18,20-22,32-33H,8-13,15-16H2,1-7H3",PTBIPWZVPOYGSK,UHFFFAOYSA,N,21-Hydroxyisoglabrolide,PTBIPWZVPOYGSK-UHFFFAOYSA-N
HMDB39690,456.360345402,C30H48O3,CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CO)CCC3(C)CCC12C,"InChI=1S/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3",JCGXIYQLRYPHDG,UHFFFAOYSA,N,Glycyrrhetol,JCGXIYQLRYPHDG-UHFFFAOYSA-N
HMDB39691,518.324353826,C30H46O7,CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3,"InChI=1S/C30H46O7/c1-16(11-18(32)12-17(2)26(36)37)20-13-24(35)30(6)19-7-8-22-27(3,10-9-23(34)28(22,4)15-31)25(19)21(33)14-29(20,30)5/h16-17,20,22-24,31,34-35H,7-15H2,1-6H3,(H,36,37)",FMQZBQQCIZBLHW,UHFFFAOYSA,N,Ganolucidic acid C,FMQZBQQCIZBLHW-UHFFFAOYSA-N
HMDB39692,474.370910088,C30H50O4,CC(O)(CO)C1CCC(C)(O1)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3CCC21C,"InChI=1S/C30H50O4/c1-25(2)21-11-16-28(5)22(26(21,3)14-12-23(25)32)9-8-19-20(10-15-27(19,28)4)30(7)17-13-24(34-30)29(6,33)18-31/h19-22,24,31,33H,8-18H2,1-7H3",LBWOQWCMNAJNNC,UHFFFAOYSA,N,"20,24-Epoxy-25,26-dihydroxydammaran-3-one",LBWOQWCMNAJNNC-UHFFFAOYSA-N
HMDB39693,706.320056308,C36H50O14,CC(C1CC(COC2OC(CO)C(O)C(O)C2O)=C(C)C(=O)O1)C1=CC(OC(C)=O)C2(O)C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,"InChI=1S/C36H50O14/c1-16-19(15-47-32-30(43)29(42)28(41)24(14-37)50-32)11-23(49-31(16)44)17(2)21-13-27(48-18(3)38)36(46)22-12-26(40)35(45)9-6-7-25(39)34(35,5)20(22)8-10-33(21,36)4/h6-7,13,17,20,22-24,26-30,32,37,40-43,45-46H,8-12,14-15H2,1-5H3",FOBLFFYOXRPILL,UHFFFAOYSA,N,Physagulin E,FOBLFFYOXRPILL-UHFFFAOYSA-N
HMDB39694,722.31497093,C36H50O15,CC(C1CC(COC2OC(CO)C(O)C(O)C2O)=C(C)C(=O)O1)C12OC1C(OC(C)=O)C1(O)C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC21C,"InChI=1S/C36H50O15/c1-15-18(14-47-31-27(43)26(42)25(41)22(13-37)50-31)11-21(49-30(15)44)16(2)36-29(51-36)28(48-17(3)38)35(46)20-12-24(40)34(45)9-6-7-23(39)33(34,5)19(20)8-10-32(35,36)4/h6-7,16,19-22,24-29,31,37,40-43,45-46H,8-14H2,1-5H3",LBNOIKRBLYMNFW,UHFFFAOYSA,N,Physagulin G,LBNOIKRBLYMNFW-UHFFFAOYSA-N
HMDB39695,508.173332494,C28H28O9,CC12OC(=O)C3(O)CCC4C(C=CC5=CC=CC(=O)C45C)C45OCC6C(=O)OC1CC6(C)C4C23OC5=O,"InChI=1S/C28H28O9/c1-23-11-18-25(3)28-20(23)27(22(32)37-28,34-12-16(23)19(30)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)21(31)36-25/h4-8,14-16,18,20,33H,9-12H2,1-3H3",KUSIVZBQAMNZCO,UHFFFAOYSA,N,"4,7-Didehydroneophysalin B",KUSIVZBQAMNZCO-UHFFFAOYSA-N
HMDB39696,510.188982558,C28H30O9,CC1C(=O)OC2CC1(C)C1C3(O)C4C=CC5=CC=CC(=O)C5(C)C4CCC4(O)C(=O)OC2(C)C14OC3=O,"InChI=1S/C28H30O9/c1-13-19(30)35-18-12-23(13,2)20-27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)21(31)36-25(18,4)28(20,26)37-22(27)32/h5-9,13,15-16,18,20,33-34H,10-12H2,1-4H3",NSFHPMKDYVTYOY,UHFFFAOYSA,N,"25,27-Dihydro-4,7-didehydro-7-deoxyphysalin A",NSFHPMKDYVTYOY-UHFFFAOYSA-N
HMDB39697,510.188982558,C28H30O9,CC12OC(=O)C3(O)CCC4C(CC=C5C=CCC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5,"InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4-5,7,14-16,18-19,33H,6,8-12H2,1-3H3",HRUAQJXBUYEBPK,UHFFFAOYSA,N,Isophysalin B,HRUAQJXBUYEBPK-UHFFFAOYSA-N
HMDB39698,526.18389718,C28H30O10,CC12OC(=O)C3(O)CCC4C(C=CC5=CC(O)CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3",JMNMXSXLYDOMTI,UHFFFAOYSA,N,Isophysalin G,JMNMXSXLYDOMTI-UHFFFAOYSA-N
HMDB39699,414.386166222,C29H50O,CC(C)C(C)CCC(C)C1CCC2(C)C3CCC4CC(=O)CCC4(C)C3CCC12C,"InChI=1S/C29H50O/c1-19(2)20(3)8-9-21(4)24-13-16-29(7)26-11-10-22-18-23(30)12-15-27(22,5)25(26)14-17-28(24,29)6/h19-22,24-26H,8-18H2,1-7H3",WOVIRZFRRNEFES,UHFFFAOYSA,N,"(5alpha,14alpha,24R)-14-Methylergostan-3-one",WOVIRZFRRNEFES-UHFFFAOYSA-N
HMDB39700,400.370516158,C28H48O,CC(C)CCCC(C)C1CCC2(C)C3CCC4CC(=O)CCC4(C)C3CCC12C,"InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h19-21,23-25H,7-18H2,1-6H3",ZMYBKDLUDWAJSA,UHFFFAOYSA,N,"(5alpha,14alpha)-14-Methylcholestan-3-one",ZMYBKDLUDWAJSA-UHFFFAOYSA-N
HMDB39701,766.486727704,C42H70O12,CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(=C)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O,"InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11,22-38,43-50H,3,10,12-19H2,1-2,4-9H3",ZVTVWDXRNMHGNY,UHFFFAOYSA,N,Ginsenoside Rg6,ZVTVWDXRNMHGNY-UHFFFAOYSA-N
HMDB39702,304.240230268,C20H32O2,[H][C@]12CCC3=C[C@@](C)(CC[C@@]3(O)[C@]1(C)CC[C@@H](O)C2(C)C)C=C,"InChI=1S/C20H32O2/c1-6-18(4)11-12-20(22)14(13-18)7-8-15-17(2,3)16(21)9-10-19(15,20)5/h6,13,15-16,21-22H,1,7-12H2,2-5H3/t15-,16-,18-,19-,20+/m1/s1",RGLTYROISYBKIW,BDUQCRIQSA,N,Oryzalexin E,RGLTYROISYBKIW-BDUQCRIQSA-N
HMDB39703,504.169034976,C18H32O16,OCC1OC(O)C(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1O,"InChI=1S/C18H32O16/c19-1-4-7(21)10(24)12(26)17(32-4)30-3-6-8(22)11(25)13(27)18(33-6)34-15-9(23)5(2-20)31-16(29)14(15)28/h4-29H,1-3H2",QNWHPAQNSLSGBO,UHFFFAOYSA,N,3-beta-Gentiobiosylglucose,QNWHPAQNSLSGBO-UHFFFAOYSA-N
HMDB39704,504.169034976,C18H32O16,OCC1OC(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-8(22)12(26)15(16(29)31-4)34-18-14(28)11(25)9(23)6(33-18)3-30-17-13(27)10(24)7(21)5(2-20)32-17/h4-29H,1-3H2",XSGDQAKVXQNLMJ,UHFFFAOYSA,N,alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose,XSGDQAKVXQNLMJ-UHFFFAOYSA-N
HMDB39705,474.15847029,C17H30O15,OCC1OC(O)C(O)C(O)C1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C17H30O15/c18-1-5-14(10(23)11(24)15(27)30-5)32-17-13(26)9(22)8(21)6(31-17)3-29-16-12(25)7(20)4(19)2-28-16/h4-27H,1-3H2",BSCUNSVAACYEAI,UHFFFAOYSA,N,alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose,BSCUNSVAACYEAI-UHFFFAOYSA-N
HMDB39706,504.169034976,C18H32O16,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(O)OC3CO)C2O)C(O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-7(22)9(24)12(27)17(31-4)34-15-8(23)5(2-20)32-18(13(15)28)33-14-6(3-21)30-16(29)11(26)10(14)25/h4-29H,1-3H2",ODDPRQJTYDIWJU,UHFFFAOYSA,N,4-beta-Laminaribiosylglucose,ODDPRQJTYDIWJU-UHFFFAOYSA-N
HMDB39707,504.169034976,C18H32O16,OCC1OC(OC2C(O)C(O)C(OCC3OC(O)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-7(21)10(24)13(27)18(32-4)34-15-5(2-20)33-17(14(28)11(15)25)30-3-6-8(22)9(23)12(26)16(29)31-6/h4-29H,1-3H2",QSESWLKFTMBIPZ,UHFFFAOYSA,N,alpha-D-Glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->6)-D-glucose,QSESWLKFTMBIPZ-UHFFFAOYSA-N
HMDB39708,504.169034976,C18H32O16,OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)OC(CO)C3O)OC2CO)C(O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)32-18(12(27)10(14)25)34-15-8(23)5(2-20)30-16(29)13(15)28/h4-29H,1-3H2",NLCKNAHSPSUVER,UHFFFAOYSA,N,3-beta-Cellobiosylglucose,NLCKNAHSPSUVER-UHFFFAOYSA-N
HMDB39709,602.360739332,C38H50O6,CC(C)=CCCC1(C)C(CC=C(C)C)CC2(CC=C(C)C)C(O)=C(C(=O)C3=CC(O)=C(O)C=C3)C(=O)C1(CC=C(C)C)C2=O,"InChI=1S/C38H50O6/c1-23(2)11-10-18-36(9)28(14-12-24(3)4)22-37(19-16-25(5)6)33(42)31(32(41)27-13-15-29(39)30(40)21-27)34(43)38(36,35(37)44)20-17-26(7)8/h11-13,15-17,21,28,39-40,42H,10,14,18-20,22H2,1-9H3",QKKRBNPMUBNTPA,UHFFFAOYSA,N,Guttiferone A,QKKRBNPMUBNTPA-UHFFFAOYSA-N
HMDB39710,184.109944378,C10H16O3,CC(=O)OC1(CCCCC1)C(C)=O,"InChI=1S/C10H16O3/c1-8(11)10(13-9(2)12)6-4-3-5-7-10/h3-7H2,1-2H3",GIFAYASOTQVRTG,UHFFFAOYSA,N,1-Acetylcyclohexyl acetate,GIFAYASOTQVRTG-UHFFFAOYSA-N
HMDB39711,220.18271539,C15H24O,CC1CCC2C1C1C(CCC22CO2)C1(C)C,"InChI=1S/C15H24O/c1-9-4-5-10-12(9)13-11(14(13,2)3)6-7-15(10)8-16-15/h9-13H,4-8H2,1-3H3",XPGWKKLDFXNBPJ,UHFFFAOYSA,N,Aromadendrene epoxide,XPGWKKLDFXNBPJ-UHFFFAOYSA-N
HMDB39712,272.250401024,C20H32,CC(C)C1=C\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\1,"InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16H,6-7,9-10,13,15H2,1-5H3/b17-8-,18-12-,19-11-,20-14-",UJUWZMUCEGGBOH,CXDHOTJMSA,N,gamma-Pinacene,UJUWZMUCEGGBOH-CXDHOTJMSA-N
HMDB39713,462.370910088,C29H50O4,CCC(C(C)C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,30,32-33H,7-15H2,1-6H3",DYENWMUXSKPFLC,UHFFFAOYSA,N,"(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one",DYENWMUXSKPFLC-UHFFFAOYSA-N
HMDB39714,1422.651465162,C63H106O35,CC(CCC1(O)OC2CC3C4CC(O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C63H106O35/c1-21(20-86-55-46(80)42(76)37(71)30(14-64)88-55)5-10-63(85)22(2)36-29(98-63)13-26-24-12-28(70)27-11-23(6-8-61(27,3)25(24)7-9-62(26,36)4)87-56-49(83)45(79)51(35(19-69)93-56)94-60-54(53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58)97-59-50(84)52(40(74)33(17-67)91-59)95-57-47(81)43(77)38(72)31(15-65)89-57/h21-60,64-85H,5-20H2,1-4H3",QYITWZRZMMUYMO,UHFFFAOYSA,N,Sativoside B1,QYITWZRZMMUYMO-UHFFFAOYSA-N
HMDB39715,240.20893014,C15H28O2,CC1C(O)CCC2(C)CCC(CC12)C(C)(C)O,"InChI=1S/C15H28O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h10-13,16-17H,5-9H2,1-4H3",XALRSJNOMCWQJW,UHFFFAOYSA,N,Auberganol,XALRSJNOMCWQJW-UHFFFAOYSA-N
HMDB39716,318.219494826,C20H30O3,CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1O,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)",DYNISIGUMYFVJW,UHFFFAOYSA,N,"12alpha-12-Hydroxy-7,13-abietadien-18-oic acid",DYNISIGUMYFVJW-UHFFFAOYSA-N
HMDB39717,760.127564092,C37H28O18,OC1C2OC3=CC(O)=CC(O)=C3C1C1=C3OC(C(CC3=C(O)C=C1O)OC(=O)C1=CC(OC3=C(O)C(O)=C(O)C=C23)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C37H28O18/c38-12-5-16(40)25-22(6-12)52-35-14-7-21(45)30(48)32(50)36(14)53-23-4-11(3-20(44)29(23)47)37(51)54-24-8-13-15(39)9-17(41)26(27(25)31(35)49)34(13)55-33(24)10-1-18(42)28(46)19(43)2-10/h1-7,9,24,27,31,33,35,38-50H,8H2",JENRLNPKDHPCHO,UHFFFAOYSA,N,Samarangenin A,JENRLNPKDHPCHO-UHFFFAOYSA-N
HMDB39718,912.138522708,C44H32O22,OC1=CC(O)=C2C3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1OC1=C(O)C(O)=CC(=C1)C(=O)OC1CC2=C(O)C=C(O)C3=C2OC1C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C44H32O22/c45-15-7-19(47)30-27(8-15)62-41-17-9-26(54)36(58)37(59)40(17)63-28-6-14(5-25(53)35(28)57)43(60)64-29-10-16-18(46)11-20(48)31(39(16)65-38(29)12-1-21(49)33(55)22(50)2-12)32(30)42(41)66-44(61)13-3-23(51)34(56)24(52)4-13/h1-9,11,29,32,38,41-42,45-59H,10H2",OLBCNYLXXLYHAI,UHFFFAOYSA,N,Samarangenin B,OLBCNYLXXLYHAI-UHFFFAOYSA-N
HMDB39719,916.169822836,C44H36O22,OC1=CC(O)=C(CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC(O)=C(O)C(O)=C2)C2=C3OC(C(CC3=C(O)C=C2O)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1,"InChI=1S/C44H36O22/c45-18-9-21(46)19(22(47)10-18)11-33(64-43(62)16-5-29(54)39(60)30(55)6-16)35(14-1-25(50)37(58)26(51)2-14)36-24(49)13-23(48)20-12-34(65-44(63)17-7-31(56)40(61)32(57)8-17)41(66-42(20)36)15-3-27(52)38(59)28(53)4-15/h1-10,13,33-35,41,45-61H,11-12H2",SKYSKYXPHIEIOH,UHFFFAOYSA,N,Assamicain A,SKYSKYXPHIEIOH-UHFFFAOYSA-N
HMDB39720,352.064175976,C12H16O12,OC1OC(C(OC2OC(=CC(O)C2O)C(O)=O)C(O)C1O)C(O)=O,"InChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)",LLVVMXFNKAHVEZ,UHFFFAOYSA,N,a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid,LLVVMXFNKAHVEZ-UHFFFAOYSA-N
HMDB39721,370.074740662,C12H18O13,OC1OC(C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O,"InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)",IGSYEZFZPOZFNC,UHFFFAOYSA,N,4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,IGSYEZFZPOZFNC-UHFFFAOYSA-N
HMDB39722,356.095476104,C12H20O12,OCC1OC(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O,"InChI=1S/C12H20O12/c13-1-2-3(14)5(16)9(11(21)22-2)24-12-7(18)4(15)6(17)8(23-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20)",BWAUGERKDLCYMO,UHFFFAOYSA,N,2-O-beta-D-Glucopyranuronosyl-D-mannose,BWAUGERKDLCYMO-UHFFFAOYSA-N
HMDB39723,326.084911418,C11H18O11,OCC1OC(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O,"InChI=1S/C11H18O11/c12-1-2-7(6(16)10(19)20-2)21-11-5(15)3(13)4(14)8(22-11)9(17)18/h2-8,10-16,19H,1H2,(H,17,18)",CWFMVLQLLUZBPE,UHFFFAOYSA,N,3-O-alpha-D-Glucopyranuronosyl-D-xylose,CWFMVLQLLUZBPE-UHFFFAOYSA-N
HMDB39724,356.095476104,C12H20O12,OCC1OC(O)C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O,"InChI=1S/C12H20O12/c13-1-2-8(5(16)6(17)11(21)22-2)23-12-7(18)3(14)4(15)9(24-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20)",KJBWXIYXECDDOT,UHFFFAOYSA,N,4-O-alpha-D-Glucopyranuronosyl-D-galactose,KJBWXIYXECDDOT-UHFFFAOYSA-N
HMDB39725,340.100561482,C12H20O11,COC1C(O)C(O)C(OC2COC(O)C(O)C2O)OC1C(O)=O,"InChI=1S/C12H20O11/c1-20-8-5(14)7(16)12(23-9(8)10(17)18)22-3-2-21-11(19)6(15)4(3)13/h3-9,11-16,19H,2H2,1H3,(H,17,18)",SCLWJHZCJVLFST,UHFFFAOYSA,N,4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose,SCLWJHZCJVLFST-UHFFFAOYSA-N
HMDB39726,356.095476104,C12H20O12,OCC1OC(O)C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C1O,"InChI=1S/C12H20O12/c13-1-2-3(14)8(7(18)11(21)22-2)23-12-6(17)4(15)5(16)9(24-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20)",GGFHJVYVXSKMOX,UHFFFAOYSA,N,3-O-beta-D-Galactopyranuronosyl-D-galactose,GGFHJVYVXSKMOX-UHFFFAOYSA-N
HMDB39727,342.116211546,C12H22O11,OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-3-12(20)10(19)7(16)5(2-14)23-12/h4-11,13-20H,1-3H2",NMXLJRHBJVMYPD,UHFFFAOYSA,N,Trehalulose,NMXLJRHBJVMYPD-UHFFFAOYSA-N
HMDB39728,516.13264947,C18H28O17,CC1OC(O)C(OC2OC(C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)C2O)C(O)=O)C(O)C1O,"InChI=1S/C18H28O17/c1-2-3(19)5(21)13(16(30)31-2)35-18-9(25)10(8(24)12(34-18)15(28)29)32-17-7(23)4(20)6(22)11(33-17)14(26)27/h2-13,16-25,30H,1H3,(H,26,27)(H,28,29)",ZQXWNXNNCNMCTA,UHFFFAOYSA,N,b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose,ZQXWNXNNCNMCTA-UHFFFAOYSA-N
HMDB39729,1014.254734254,C36H54O33,CC1OC(O)C(OC2OC(C(OC3OC(C)C(O)C(O)C3OC3OC(C(O)C(OC4OC(C(O)C(O)C4O)C(O)=O)C3O)C(O)=O)C(OC3OC(C(O)C(O)C3O)C(O)=O)C2O)C(O)=O)C(O)C1O,"InChI=1S/C36H54O33/c1-3-5(37)9(41)23(31(58)59-3)66-35-17(49)19(62-33-14(46)8(40)12(44)21(64-33)28(52)53)25(26(69-35)30(56)57)68-36-24(10(42)6(38)4(2)60-36)67-34-16(48)18(15(47)22(65-34)29(54)55)61-32-13(45)7(39)11(43)20(63-32)27(50)51/h3-26,31-49,58H,1-2H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)",GIFHBZRJNAUTFG,UHFFFAOYSA,N,b-D-Glucopyranuronosyl-(1->3)-a-D-galactopyranuronosyl-(1->2)-a-L-rhamnopyranosyl-(1->4)-[b-D-glucopyranuronosyl-(1->3)]-a-D-galactopyranuronosyl-(1->2)-L-rhamnopyranose,GIFHBZRJNAUTFG-UHFFFAOYSA-N
HMDB39730,760.127564092,C37H28O18,OC1C2C3=C(O)C=C(O)C=C3OC1(OC1=CC(O)=C3CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC3=C21)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C37H28O18/c38-14-7-17(40)27-24(8-14)54-37(13-5-22(45)32(49)23(46)6-13)35(50)29(27)28-25(55-37)10-16(39)15-9-26(52-36(51)12-3-20(43)31(48)21(44)4-12)33(53-34(15)28)11-1-18(41)30(47)19(42)2-11/h1-8,10,26,29,33,35,38-50H,9H2",WXQMTHFXSUBUEQ,UHFFFAOYSA,N,Prodelphinidin A2 3'-gallate,WXQMTHFXSUBUEQ-UHFFFAOYSA-N
HMDB39731,370.10525293,C20H18O7,CC(C)=CCC1=C(C=CC(O)=C1O)C1=C(O)C(=O)C2=C(O1)C=C(O)C(O)=C2,"InChI=1S/C20H18O7/c1-9(2)3-4-10-11(5-6-13(21)17(10)24)20-19(26)18(25)12-7-14(22)15(23)8-16(12)27-20/h3,5-8,21-24,26H,4H2,1-2H3",NACBYUYHTLUWAI,UHFFFAOYSA,N,Neouralenol,NACBYUYHTLUWAI-UHFFFAOYSA-N
HMDB39732,370.10525293,C20H18O7,CC(C)=CCC1=CC(=CC(O)=C1O)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C20H18O7/c1-9(2)3-4-10-5-11(6-14(23)17(10)24)20-19(26)18(25)16-13(22)7-12(21)8-15(16)27-20/h3,5-8,21-24,26H,4H2,1-2H3",WOMWVGHYSNATOB,UHFFFAOYSA,N,Uralenol,WOMWVGHYSNATOB-UHFFFAOYSA-N
HMDB39733,337.094370667,C11H19N3O7S,NC(CCC(=O)NC(CS)C(=O)NC(CO)C(O)=O)C(O)=O,"InChI=1S/C11H19N3O7S/c12-5(10(18)19)1-2-8(16)13-7(4-22)9(17)14-6(3-15)11(20)21/h5-7,15,22H,1-4,12H2,(H,13,16)(H,14,17)(H,18,19)(H,20,21)",QWHVIVGONDEFNH,UHFFFAOYSA,N,gamma-Glutamylcysteinylserine,QWHVIVGONDEFNH-UHFFFAOYSA-N
HMDB39734,263.944083078,C5H12O2S5,CSSCSCSCS(C)(=O)=O,"InChI=1S/C5H12O2S5/c1-8-11-4-9-3-10-5-12(2,6)7/h3-5H2,1-2H3",BHWJQDRVDKQMFE,UHFFFAOYSA,N,"2,3,5,7,9-Pentathiadecane 2,2-dioxide",BHWJQDRVDKQMFE-UHFFFAOYSA-N
HMDB39735,304.203844762,C19H28O3,CCCCCCCC(OC(C)=O)\C=C\C#CC#CC(O)CC,"InChI=1S/C19H28O3/c1-4-6-7-8-12-15-19(22-17(3)20)16-13-10-9-11-14-18(21)5-2/h13,16,18-19,21H,4-8,12,15H2,1-3H3/b16-13+",AUQPBBOKCAROLF,DTQAZKPQSA,N,"10-Acetoxy-8-heptadecene-4,6-diyn-3-ol",AUQPBBOKCAROLF-DTQAZKPQSA-N
HMDB39736,156.115029756,C9H16O2,CC(=O)\C=C(\C)CC(C)(C)O,"InChI=1S/C9H16O2/c1-7(5-8(2)10)6-9(3,4)11/h5,11H,6H2,1-4H3/b7-5-",OAHJSCYHJQJALB,ALCCZGGFSA,N,"6-Hydroxy-4,6-dimethyl-3-hepten-2-one",OAHJSCYHJQJALB-ALCCZGGFSA-N
HMDB39737,258.161979948,C17H22O2,CCCCCC(O)\C=C\C=C\C#CC#CC(O)C=C,"InChI=1S/C17H22O2/c1-3-5-10-14-17(19)15-12-9-7-6-8-11-13-16(18)4-2/h4,7,9,12,15-19H,2-3,5,10,14H2,1H3/b9-7+,15-12+",ADJNQGJVAJRCCO,KDFHGORWSA,N,"(all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol",ADJNQGJVAJRCCO-KDFHGORWSA-N
HMDB39738,373.334465003,C25H43NO,CCC\C=C/CCCCCCCCCC\C=C\C=C\C(=O)N1CCCCC1,"InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h4-5,16-17,19,22H,2-3,6-15,18,20-21,23-24H2,1H3/b5-4-,17-16+,22-19+",MKEWSYYOWWKTAK,AEPHKGLBSA,N,Pipereicosalidine,MKEWSYYOWWKTAK-AEPHKGLBSA-N
HMDB39739,654.558710856,C43H74O4,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)C2=C(O)C=C(OC)C=C2O1,"InChI=1S/C43H74O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-35-40(44)43-41(45)36-39(46-2)37-42(43)47-38/h35-37,45H,3-34H2,1-2H3",VCUFPKRXFVNKKD,UHFFFAOYSA,N,5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one,VCUFPKRXFVNKKD-UHFFFAOYSA-N
HMDB39740,330.110338308,C18H18O6,OC\C=C/C1=CC2=C(OC(CO)C(O2)C2=CC(O)=C(O)C=C2)C=C1,"InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)24-18(17(10-20)23-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1-",PPZYUSOIUGJLFB,UPHRSURJSA,N,Isoamericanol A,PPZYUSOIUGJLFB-UPHRSURJSA-N
HMDB39741,472.179205732,C18H32O14,CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(C)OC(O)C3O)C2O)C(O)C(O)C1O,"InChI=1S/C18H32O14/c1-4-7(20)10(23)11(24)17(29-4)32-15-9(22)6(3-19)30-18(13(15)26)31-14-8(21)5(2)28-16(27)12(14)25/h4-27H,3H2,1-2H3",JUZCTRWLASLKLG,UHFFFAOYSA,N,alpha-L-Rhamnopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->3)-L-fucose,JUZCTRWLASLKLG-UHFFFAOYSA-N
HMDB39742,472.142820226,C17H28O15,COC1C(O)C(O)C(OC2C(O)C(O)COC2OC2COC(O)C(O)C2O)OC1C(O)=O,"InChI=1S/C17H28O15/c1-27-11-8(21)10(23)16(32-13(11)14(24)25)31-12-6(19)4(18)2-29-17(12)30-5-3-28-15(26)9(22)7(5)20/h4-13,15-23,26H,2-3H2,1H3,(H,24,25)",XZGRJCXNJVJWKJ,UHFFFAOYSA,N,4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xylose,XZGRJCXNJVJWKJ-UHFFFAOYSA-N
HMDB39743,634.0806139,C27H22O18,OCC1OC(O)C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C27H22O18/c28-5-13-21(43-24(38)6-1-9(29)16(33)10(30)2-6)22-23(27(41)42-13)45-26(40)8-4-12(32)18(35)20(37)15(8)14-7(25(39)44-22)3-11(31)17(34)19(14)36/h1-4,13,21-23,27-37,41H,5H2",XFEDUHVHOZXTGB,UHFFFAOYSA,N,Pterocaryanin B,XFEDUHVHOZXTGB-UHFFFAOYSA-N
HMDB39744,222.198365454,C15H26O,CC1(C)CC2(O)C3(C)CCCC2(C)CCC13,"InChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3",QOXUIQMPPDIDGM,UHFFFAOYSA,N,Ginsenol,QOXUIQMPPDIDGM-UHFFFAOYSA-N
HMDB39745,238.193280076,C15H26O2,CC(C)=CC(O)C\C(C)=C\CC\C(C)=C\CO,"InChI=1S/C15H26O2/c1-12(2)10-15(17)11-14(4)7-5-6-13(3)8-9-16/h7-8,10,15-17H,5-6,9,11H2,1-4H3/b13-8+,14-7+",RAFAKSIGGWRDFJ,CCLLZULESA,N,"(2E,6E,9xi)-Farnesol",RAFAKSIGGWRDFJ-CCLLZULESA-N
HMDB39746,474.116211546,C23H22O11,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1OC(C)=O,"InChI=1S/C23H22O11/c1-9-20(32-10(2)24)18(29)19(30)23(31-9)34-22-17(28)16-14(27)7-13(26)8-15(16)33-21(22)11-3-5-12(25)6-4-11/h3-9,18-20,23,25-27,29-30H,1-2H3",AGQLGMXLTFMOAP,UHFFFAOYSA,N,4''-O-Acetylafzelin,AGQLGMXLTFMOAP-UHFFFAOYSA-N
HMDB39747,474.116211546,C23H22O11,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(OC(C)=O)C1O,"InChI=1S/C23H22O11/c1-9-17(28)21(32-10(2)24)19(30)23(31-9)34-22-18(29)16-14(27)7-13(26)8-15(16)33-20(22)11-3-5-12(25)6-4-11/h3-9,17,19,21,23,25-28,30H,1-2H3",APRVHMRKRPHQLM,UHFFFAOYSA,N,3''-O-Acetylafzelin,APRVHMRKRPHQLM-UHFFFAOYSA-N
HMDB39748,474.116211546,C23H22O11,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(C)=O)C(O)C1O,"InChI=1S/C23H22O11/c1-9-17(28)19(30)22(32-10(2)24)23(31-9)34-21-18(29)16-14(27)7-13(26)8-15(16)33-20(21)11-3-5-12(25)6-4-11/h3-9,17,19,22-23,25-28,30H,1-2H3",QGPZJURATJCKHO,UHFFFAOYSA,N,Kaempferol 3-(2''-acetylrhamnoside),QGPZJURATJCKHO-UHFFFAOYSA-N
HMDB39749,448.230847372,C21H36O10,CC(C)=CCC(COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C(C)=C,"InChI=1S/C21H36O10/c1-10(2)5-6-12(11(3)4)7-28-21-19(27)17(25)16(24)14(31-21)9-30-20-18(26)15(23)13(22)8-29-20/h5,12-27H,3,6-9H2,1-2,4H3",XOSSHORSTHFGFX,UHFFFAOYSA,N,Kenposide B,XOSSHORSTHFGFX-UHFFFAOYSA-N
HMDB39750,545.195584077,C20H35NO16,CC(=O)NC1C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C20H35NO16/c1-5(25)21-9-16(36-20-14(30)13(29)10(26)6(2-22)35-20)11(27)8(4-24)34-19(9)37-17-12(28)7(3-23)33-18(32)15(17)31/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)",CJOPBLPCFAQCNO,UHFFFAOYSA,N,Lacto-N-triose I,CJOPBLPCFAQCNO-UHFFFAOYSA-N
HMDB39751,546.10682865,C18H26O19,OC1OC(C(OC2OC(C(OC3OC(C(O)C(O)C3O)C(O)=O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O,"InChI=1S/C18H26O19/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31)",LCLHHZYHLXDRQG,UHFFFAOYSA,N,alpha-D-Galactopyranuronosyl-(1->4)-alpha-D-galactopyranuronosyl-(1->4)-D-galacturonic acid,LCLHHZYHLXDRQG-UHFFFAOYSA-N
HMDB39752,444.396730908,C30H52O2,CC(CCCC(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C30H52O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h20-24,31-32H,8-19H2,1-7H3",VUMUFIITBXMVIJ,UHFFFAOYSA,N,"3beta-Cycloartane-3,25-diol",VUMUFIITBXMVIJ-UHFFFAOYSA-N
HMDB39753,442.381080844,C30H50O2,CC(CCCC(C)(C)O)C1CCC2(C)C3CC=C4C5(CC35CCC12C)CCC(O)C4(C)C,"InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3",RLKGJYSFFCRCGQ,UHFFFAOYSA,N,"3beta-Cycloart-5-ene-3,25-diol",RLKGJYSFFCRCGQ-UHFFFAOYSA-N
HMDB39754,280.21507815,C16H28N2O2,CN1CCCC1CC(=O)CC1CCC(CC(C)=O)N1C,"InChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3",UBFAEXSSMSJTQV,UHFFFAOYSA,N,Phygrine,UBFAEXSSMSJTQV-UHFFFAOYSA-N
HMDB39755,343.141972787,C19H21NO5,COC1=CC(\C=C\C(=O)NCCC2=CC(O)=C(OC)C=C2)=CC=C1O,"InChI=1S/C19H21NO5/c1-24-17-7-4-14(11-16(17)22)9-10-20-19(23)8-5-13-3-6-15(21)18(12-13)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+",ACSWAJLDOHJFNA,VMPITWQZSA,N,N-trans-Feruloyl-4-O-methyldopamine,ACSWAJLDOHJFNA-VMPITWQZSA-N
HMDB39756,323.115758037,C19H17NO4,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(=C)CO)C=C2O,"InChI=1S/C19H17NO4/c1-10(9-21)15-7-12-16(24-15)8-14(22)17-18(12)20(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,21-22H,1,7,9H2,2H3",LTIJMFZBJZDNOD,UHFFFAOYSA,N,Gravacridonol,LTIJMFZBJZDNOD-UHFFFAOYSA-N
HMDB39757,341.045485584,C18H12ClNO4,COC1=C(OC)C2=C3C(NC(=O)C(=O)C3=C1)=C(Cl)C1=CC=CC=C21,"InChI=1S/C18H12ClNO4/c1-23-11-7-10-12-13(17(11)24-2)8-5-3-4-6-9(8)14(19)15(12)20-18(22)16(10)21/h3-7H,1-2H3,(H,20,22)",DBNFUUYMTAGFDM,UHFFFAOYSA,N,7-Chloro-6-demethylcepharadione B,DBNFUUYMTAGFDM-UHFFFAOYSA-N
HMDB39758,462.116211546,C22H22O11,COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OCC(O)C(O)C3O)C=C2O1,"InChI=1S/C22H22O11/c1-29-16-3-9(4-17(30-2)20(16)27)14-7-12(24)18-11(23)5-10(6-15(18)33-14)32-22-21(28)19(26)13(25)8-31-22/h3-7,13,19,21-23,25-28H,8H2,1-2H3",MJMGQZTXKNKYCG,UHFFFAOYSA,N,Tricin arabinoside,MJMGQZTXKNKYCG-UHFFFAOYSA-N
HMDB39759,726.200729034,C32H38O19,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C32H38O19/c1-11-19(37)22(40)24(42)29(47-11)45-8-17-20(38)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3",PXDYLXHBUIPSMK,UHFFFAOYSA,N,Kaempferol 3-(2G-apiosylrobinobioside),PXDYLXHBUIPSMK-UHFFFAOYSA-N
HMDB39760,354.255880332,C24H34O2,C(CCCCCCOC1=CC=CC=C1)CCCCCOC1=CC=CC=C1,"InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2",MGDFXJZWAHCAMS,UHFFFAOYSA,N,"1,1'-[1,12-Dodecanediylbis(oxy)]bisbenzene",MGDFXJZWAHCAMS-UHFFFAOYSA-N
HMDB39761,368.271530396,C25H36O2,C(CCCCCCOC1=CC=CC=C1)CCCCCCOC1=CC=CC=C1,"InChI=1S/C25H36O2/c1(2-4-6-8-16-22-26-24-18-12-10-13-19-24)3-5-7-9-17-23-27-25-20-14-11-15-21-25/h10-15,18-21H,1-9,16-17,22-23H2",YBKOKZOLSIXILH,UHFFFAOYSA,N,"1,1'-[1,13-Tridecanediylbis(oxy)]bisbenzene",YBKOKZOLSIXILH-UHFFFAOYSA-N
HMDB39762,340.240230268,C23H32O2,C(CCCCCOC1=CC=CC=C1)CCCCCOC1=CC=CC=C1,"InChI=1S/C23H32O2/c1(2-4-6-14-20-24-22-16-10-8-11-17-22)3-5-7-15-21-25-23-18-12-9-13-19-23/h8-13,16-19H,1-7,14-15,20-21H2",ZPWUBAJYGXZRQA,UHFFFAOYSA,N,"1,1'-[1,11-Undecanediylbis(oxy)]bisbenzene",ZPWUBAJYGXZRQA-UHFFFAOYSA-N
HMDB39763,1192.124054434,C55H36O31,OC1CC2=C3OC45C(C6OC(=O)C4C(=C(O)C5=O)C4=C5C(=C(O)C(O)=C4O)C4=C(C=C(O)C(O)=C4O)C(=O)OC4COC(=O)C7=CC(O)=C(O)C(O)=C7C7=C(C=C(O)C(O)=C7O)C(=O)OC4C6OC5=O)C3=C(O)C=C2OC1C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C55H36O31/c56-14-7-21-10(3-20(62)44(81-21)9-1-15(57)33(63)16(58)2-9)45-26(14)31-47-48-46-22(8-80-50(75)11-4-17(59)34(64)37(67)23(11)24-12(52(77)83-46)5-18(60)35(65)38(24)68)82-51(76)13-6-19(61)36(66)39(69)25(13)27-29(53(78)85-48)28(41(71)43(73)40(27)70)30-32(54(79)84-47)55(31,86-45)49(74)42(30)72/h1-2,4-7,20,22,31-32,44,46-48,56-73H,3,8H2",JWYWLEDKHVAFKH,UHFFFAOYSA,N,Psidinin B,JWYWLEDKHVAFKH-UHFFFAOYSA-N
HMDB39764,1192.124054434,C55H36O31,OC1CC2=C(O)C=C3OC45C(C6OC(=O)C4C(=C(O)C5=O)C4=C5C(=C(O)C(O)=C4O)C4=C(C=C(O)C(O)=C4O)C(=O)OC4COC(=O)C7=CC(O)=C(O)C(O)=C7C7=C(C=C(O)C(O)=C7O)C(=O)OC4C6OC5=O)C3=C2OC1C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C55H36O31/c56-14-7-21-26(45-10(14)3-20(62)44(82-45)9-1-15(57)33(63)16(58)2-9)31-47-48-46-22(8-80-50(75)11-4-17(59)34(64)37(67)23(11)24-12(52(77)83-46)5-18(60)35(65)38(24)68)81-51(76)13-6-19(61)36(66)39(69)25(13)27-29(53(78)85-48)28(41(71)43(73)40(27)70)30-32(54(79)84-47)55(31,86-21)49(74)42(30)72/h1-2,4-7,20,22,31-32,44,46-48,56-73H,3,8H2",XWKIGIQTPIVWIV,UHFFFAOYSA,N,Psidinin A,XWKIGIQTPIVWIV-UHFFFAOYSA-N
HMDB39765,317.162708229,C18H23NO4,CC1=C\C(OC1=O)=C\CCCN1CCCCC11OC(=O)C(C)=C1,"InChI=1S/C18H23NO4/c1-13-11-15(22-16(13)20)7-3-5-9-19-10-6-4-8-18(19)12-14(2)17(21)23-18/h7,11-12H,3-6,8-10H2,1-2H3/b15-7-",IMWDTVAWMRQOGN,CHHVJCJISA,N,Pandamarilactone 1,IMWDTVAWMRQOGN-CHHVJCJISA-N
HMDB39766,331.178358293,C19H25NO4,COC1(C)CC2=C(CCCN2CCC\C=C2\OC(=O)C(C)=C2)C1=O,"InChI=1S/C19H25NO4/c1-13-11-14(24-18(13)22)7-4-5-9-20-10-6-8-15-16(20)12-19(2,23-3)17(15)21/h7,11H,4-6,8-10,12H2,1-3H3/b14-7+",DJRTYVRGVQFHJR,VGOFMYFVSA,N,Pandamarilactone 31,DJRTYVRGVQFHJR-VGOFMYFVSA-N
HMDB39767,299.152143543,C18H21NO3,CC1=C\C(OC1=O)=C/CCCN1CCCC2=C1CC(=C)C2=O,"InChI=1S/C18H21NO3/c1-12-11-16-15(17(12)20)7-5-9-19(16)8-4-3-6-14-10-13(2)18(21)22-14/h6,10H,1,3-5,7-9,11H2,2H3/b14-6+",SIAHQINCBBSLKV,MKMNVTDBSA,N,Pandamarilactone 32,SIAHQINCBBSLKV-MKMNVTDBSA-N
HMDB39768,170.13067982,C10H18O2,CCCC\C=C\CCCC(O)=O,"InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,2-4,7-9H2,1H3,(H,11,12)/b6-5+",UJUXUEKQHBXUEM,AATRIKPKSA,N,5-Decenoic acid,UJUXUEKQHBXUEM-AATRIKPKSA-N
HMDB39769,126.10446507,C8H14O,C\C=C/CCCCC=O,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2-3,8H,4-7H2,1H3/b3-2-",KVNBGNGISDIZRP,IHWYPQMZSA,N,6-Octenal,KVNBGNGISDIZRP-IHWYPQMZSA-N
HMDB39770,126.10446507,C8H14O,CC\C=C\CCCC=O,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,8H,2,5-7H2,1H3/b4-3+",ZUSUVEKHEZURSD,ONEGZZNKSA,N,(Z)-5-Octenal,ZUSUVEKHEZURSD-ONEGZZNKSA-N
HMDB39771,102.05032101,C5H10S,SC1CCCC1,"InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2",WVDYBOADDMMFIY,UHFFFAOYSA,N,Cyclopentanethiol,WVDYBOADDMMFIY-UHFFFAOYSA-N
HMDB39772,898.15925815,C44H34O21,OC1=CC2=C([C@@H]([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C2=C(O)C3=C(O[C@@H]([C@@H](C3)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)C=C2O)C(O)=C1,"InChI=1S/C44H34O21/c45-18-10-22(48)33-31(11-18)63-41(15-4-24(50)37(57)25(51)5-15)42(65-44(61)17-8-28(54)39(59)29(55)9-17)35(33)34-23(49)13-30-19(36(34)56)12-32(40(62-30)14-1-2-20(46)21(47)3-14)64-43(60)16-6-26(52)38(58)27(53)7-16/h1-11,13,32,35,40-42,45-59H,12H2/t32-,35-,40-,41-,42-/m1/s1",KRHJUZZZEMFSIW,XREIVNNOSA,N,Epigallocatechin 3-O-gallate-(4beta->6)-epicatechin 3-O-gallate,KRHJUZZZEMFSIW-XREIVNNOSA-N
HMDB39773,568.28836225,C29H44O11,COC1CC2C(C)=C(OC)C(OC3OC(CO)C(O)C(O)C3O)C3C2(C)C(CC2C(C)C=C(OC)C(=O)C32C)O1,"InChI=1S/C29H44O11/c1-12-8-16(35-5)26(34)29(4)14(12)9-18-28(3)15(10-19(36-6)39-18)13(2)23(37-7)24(25(28)29)40-27-22(33)21(32)20(31)17(11-30)38-27/h8,12,14-15,17-22,24-25,27,30-33H,9-11H2,1-7H3",HVJMGXBLFUQCGE,UHFFFAOYSA,N,11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,HVJMGXBLFUQCGE-UHFFFAOYSA-N
HMDB39774,370.089996796,C16H18O10,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(=O)C=CC2=C1O,"InChI=1S/C16H18O10/c1-23-15-8(4-7-6(11(15)19)2-3-10(18)24-7)25-16-14(22)13(21)12(20)9(5-17)26-16/h2-4,9,12-14,16-17,19-22H,5H2,1H3",PIBSIXYTETZFRB,UHFFFAOYSA,N,5-Hydroxy-6-methoxycoumarin 7-glucoside,PIBSIXYTETZFRB-UHFFFAOYSA-N
HMDB39775,372.120902994,C20H20O7,COC1=C(OC(=O)C(C)C)C=CC(=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C20H20O7/c1-10(2)20(24)27-15-5-4-11(6-17(15)25-3)16-9-14(23)19-13(22)7-12(21)8-18(19)26-16/h4-8,10,16,21-22H,9H2,1-3H3",IGCZWOGVHOOOEO,UHFFFAOYSA,N,Homoeriodictyol 4'-isobutyrate,IGCZWOGVHOOOEO-UHFFFAOYSA-N
HMDB39776,666.179599635,C30H34O17,CC1OC(OC2C(O)C(O)C(COC(=O)CC(O)=O)OC2OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C30H34O17/c1-11-23(37)25(39)27(41)29(43-11)47-28-26(40)24(38)19(10-42-21(36)9-20(34)35)46-30(28)44-14-6-15(32)22-16(33)8-17(45-18(22)7-14)12-2-4-13(31)5-3-12/h2-7,11,17,19,23-32,37-41H,8-10H2,1H3,(H,34,35)",YCOQCRMFNLZUCL,UHFFFAOYSA,N,6''-O-Malonylnaringin,YCOQCRMFNLZUCL-UHFFFAOYSA-N
HMDB39777,500.158351132,C28H24N2O7,CC1=CC(O)=CC(O)=C1NC1=C(C)C2=C3C(OC2=CC1=O)=CC(=O)C(NC1=C(O)C=C(O)C=C1C)=C3C,"InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29-34H,1-4H3",VPEASJIRGSVXBF,UHFFFAOYSA,N,Orcein,VPEASJIRGSVXBF-UHFFFAOYSA-N
HMDB39778,112.0524295,C6H8O2,CC1OC(=O)C(C)=C1,"InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3",SAXRUMLUKZBSTO,UHFFFAOYSA,N,"xi-3,5-Dimethyl-2(5H)-furanone",SAXRUMLUKZBSTO-UHFFFAOYSA-N
HMDB39779,86.073164942,C5H10O,CC(O)C(C)=C,"InChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3",JEYLKNVLTAPJAF,UHFFFAOYSA,N,xi-3-Methyl-3-buten-2-ol,JEYLKNVLTAPJAF-UHFFFAOYSA-N
HMDB39780,293.147452095,C12H23NO7,CCC(C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)/t6?,7-,8+,9-,10+,12?/m1/s1",VYGRYVGDPYFVCA,MFPOTZKYSA,N,N-(1-Deoxy-1-fructosyl)isoleucine,VYGRYVGDPYFVCA-MFPOTZKYSA-N
HMDB39781,120.060885696,C5H12OS,CC(C)C(S)CO,"InChI=1S/C5H12OS/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3",QBYYSQQYPUMFOX,UHFFFAOYSA,N,xi-2-Mercapto-3-methyl-1-butanol,QBYYSQQYPUMFOX-UHFFFAOYSA-N
HMDB39782,136.088815006,C9H12O,CCC\C=C\C1=CC=CO1,"InChI=1S/C9H12O/c1-2-3-4-6-9-7-5-8-10-9/h4-8H,2-3H2,1H3/b6-4+",LKSYSJTUBQSZBS,GQCTYLIASA,N,2-(1-Pentenyl)furan,LKSYSJTUBQSZBS-GQCTYLIASA-N
HMDB39783,164.069341892,C7H16S2,CCCCCC(S)SC,"InChI=1S/C7H16S2/c1-3-4-5-6-7(8)9-2/h7-8H,3-6H2,1-2H3",RVLJKGCMYBJOLZ,UHFFFAOYSA,N,1-(Methylthio)-1-hexanethiol,RVLJKGCMYBJOLZ-UHFFFAOYSA-N
HMDB39784,181.110278729,C10H15NO2,CC1OC(C)=C(N2CCCC2)C1=O,"InChI=1S/C10H15NO2/c1-7-9(10(12)8(2)13-7)11-5-3-4-6-11/h8H,3-6H2,1-2H3",FRPGHNBHIDMQGT,UHFFFAOYSA,N,"2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone",FRPGHNBHIDMQGT-UHFFFAOYSA-N
HMDB39785,516.36621864,C28H52O8,CC(O)COC(=O)OC1CC(C)CCC1C(C)C.CC(C)C1CCC(C)CC1OC(=O)OC(C)CO,"InChI=1S/2C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15;1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15/h2*9-13,15H,5-8H2,1-4H3",JSEFYOBABBXEJJ,UHFFFAOYSA,N,Menthol propylene glycol carbonate,JSEFYOBABBXEJJ-UHFFFAOYSA-N
HMDB39786,118.008850126,C4H6O2S,SC1COCC1=O,"InChI=1S/C4H6O2S/c5-3-1-6-2-4(3)7/h4,7H,1-2H2",CBMFNAVNFZNJMZ,UHFFFAOYSA,N,Dihydro-4-mercapto-3(2H)-furanone,CBMFNAVNFZNJMZ-UHFFFAOYSA-N
HMDB39787,129.991091572,C5H6S2,CC1=C(S)C=CS1,"InChI=1S/C5H6S2/c1-4-5(6)2-3-7-4/h2-3,6H,1H3",AQXLMAYNBMTBHD,UHFFFAOYSA,N,2-Methyl-3-thiophenethiol,AQXLMAYNBMTBHD-UHFFFAOYSA-N
HMDB39788,129.991091572,C5H6S2,CC1=CC(S)=CS1,"InChI=1S/C5H6S2/c1-4-2-5(6)3-7-4/h2-3,6H,1H3",AKXPXNGITUAYOF,UHFFFAOYSA,N,5-Methyl-3-thiophenethiol,AKXPXNGITUAYOF-UHFFFAOYSA-N
HMDB39789,134.0223917,C5H10S2,CC1(S)CCCS1,"InChI=1S/C5H10S2/c1-5(6)3-2-4-7-5/h6H,2-4H2,1H3",SVPXVYCUWKYTRA,UHFFFAOYSA,N,Tetrahydro-2-methyl-2-thiophenethiol,SVPXVYCUWKYTRA-UHFFFAOYSA-N
HMDB39790,134.0223917,C5H10S2,CC1SCCC1S,"InChI=1S/C5H10S2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3",DPEXPKGKIRGPKJ,UHFFFAOYSA,N,Tetrahydro-2-methyl-3-thiophenethiol,DPEXPKGKIRGPKJ-UHFFFAOYSA-N
HMDB39791,132.006741636,C5H8S2,CC1=CC(S)CS1,"InChI=1S/C5H8S2/c1-4-2-5(6)3-7-4/h2,5-6H,3H2,1H3",XMTPGJJWJZMORB,UHFFFAOYSA,N,"2,3-Dihydro-5-methyl-3-thiophenethiol",XMTPGJJWJZMORB-UHFFFAOYSA-N
HMDB39792,132.006741636,C5H8S2,CC1=C(S)CCS1,"InChI=1S/C5H8S2/c1-4-5(6)2-3-7-4/h6H,2-3H2,1H3",SHTOTWJJNXTUDB,UHFFFAOYSA,N,"4,5-Dihydro-2-methyl-3-thiophenethiol",SHTOTWJJNXTUDB-UHFFFAOYSA-N
HMDB39793,142.099379692,C8H14O2,CCC\C=C\CCC(O)=O,"InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3,6-7H2,1H3,(H,9,10)/b5-4+",PFHBCQFBHMBAMC,SNAWJCMRSA,N,(E)-4-Octenoic acid,PFHBCQFBHMBAMC-SNAWJCMRSA-N
HMDB39794,156.115029756,C9H16O2,CCC\C=C\CCC(=O)OC,"InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+",SSPBQLGVUAXSMH,AATRIKPKSA,N,Methyl 4Z-octenoate,SSPBQLGVUAXSMH-AATRIKPKSA-N
HMDB39795,170.13067982,C10H18O2,CCC\C=C\CCC(=O)OCC,"InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+",WRUZCQAJIHSQPL,VOTSOKGWSA,N,Ethyl 4Z-octenoate,WRUZCQAJIHSQPL-VOTSOKGWSA-N
HMDB39796,132.006741636,C5H8S2,CC1CC(S)=CS1,"InChI=1S/C5H8S2/c1-4-2-5(6)3-7-4/h3-4,6H,2H2,1H3",JPJBGDKFMKAFRU,UHFFFAOYSA,N,"4,5-Dihydro-5-methyl-3-thiophenethiol",JPJBGDKFMKAFRU-UHFFFAOYSA-N
HMDB39797,148.001656258,C5H8OS2,CC1SC=C(O)C1S,"InChI=1S/C5H8OS2/c1-3-5(7)4(6)2-8-3/h2-3,5-7H,1H3",BEYGIIYBQRJTSW,UHFFFAOYSA,N,Dihydro-4-mercapto-5-methyl-3(2H)-thiophenone,BEYGIIYBQRJTSW-UHFFFAOYSA-N
HMDB39798,114.013935504,C5H6OS,CC1=CC(S)=CO1,"InChI=1S/C5H6OS/c1-4-2-5(7)3-6-4/h2-3,7H,1H3",HHVWAQYIXICMLT,UHFFFAOYSA,N,5-Methyl-3-furanthiol,HHVWAQYIXICMLT-UHFFFAOYSA-N
HMDB39799,102.068079564,C5H10O2,CC1OCCC1O,"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3",ZFVWBUVYNPLIIS,UHFFFAOYSA,N,Tetrahydro-2-methyl-3-furanol,ZFVWBUVYNPLIIS-UHFFFAOYSA-N
HMDB39800,128.029585568,C6H8OS,CC1=CC=C(CS)O1,"InChI=1S/C6H8OS/c1-5-2-3-6(4-8)7-5/h2-3,8H,4H2,1H3",MGLMZOFGBDYNMH,UHFFFAOYSA,N,5-Methyl-2-furanmethanethiol,MGLMZOFGBDYNMH-UHFFFAOYSA-N
HMDB39801,152.083729628,C9H12O2,CCCCC(=O)C1=CC=CO1,"InChI=1S/C9H12O2/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3",HTOZHTBIOGGHDJ,UHFFFAOYSA,N,1-(2-Furanyl)-1-pentanone,HTOZHTBIOGGHDJ-UHFFFAOYSA-N
HMDB39802,138.068079564,C8H10O2,CCCC(=O)C1=CC=CO1,"InChI=1S/C8H10O2/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3",GONWJZJNVDRECJ,UHFFFAOYSA,N,1-(2-Furanyl)-1-butanone,GONWJZJNVDRECJ-UHFFFAOYSA-N
HMDB39803,162.10446507,C11H14O,CC1=CC2=CC(=O)CCC2CC1,"InChI=1S/C11H14O/c1-8-2-3-9-4-5-11(12)7-10(9)6-8/h6-7,9H,2-5H2,1H3",NGSXTBFUMNXJDK,UHFFFAOYSA,N,"4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone",NGSXTBFUMNXJDK-UHFFFAOYSA-N
HMDB39804,163.136099549,C11H17N,CCCCCCC1=CN=CC=C1,"InChI=1S/C11H17N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8-10H,2-5,7H2,1H3",LWEQIZSFZFUWIE,UHFFFAOYSA,N,3-Hexylpyridine,LWEQIZSFZFUWIE-UHFFFAOYSA-N
HMDB39805,212.177630012,C13H24O2,CC(O)CCC1C(C)CC(=O)CC1(C)C,"InChI=1S/C13H24O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h9-10,12,14H,5-8H2,1-4H3",QIHMBTNCJUFMCE,UHFFFAOYSA,N,"4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone",QIHMBTNCJUFMCE-UHFFFAOYSA-N
HMDB39806,118.081621138,C6H14S,CCCCCCS,"InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",PMBXCGGQNSVESQ,UHFFFAOYSA,N,1-Hexanethiol,PMBXCGGQNSVESQ-UHFFFAOYSA-N
HMDB39807,88.034670946,C4H8S,C[C@H]1S[C@H]1C,"InChI=1S/C4H8S/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+",ZMJBHCIEMIVIFZ,ZXZARUISSA,N,"cis-2,3-Dimethylthiirane",ZMJBHCIEMIVIFZ-ZXZARUISSA-N
HMDB39808,329.199093735,C20H27NO3,O=C(CCCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1,"InChI=1S/C20H27NO3/c22-20(21-13-7-4-8-14-21)10-6-3-1-2-5-9-17-11-12-18-19(15-17)24-16-23-18/h5,9,11-12,15H,1-4,6-8,10,13-14,16H2/b9-5+",VIQYOKDVSJLKNG,WEVVVXLNSA,N,Pipertipine,VIQYOKDVSJLKNG-WEVVVXLNSA-N
HMDB39809,974.190558278,C50H38O21,OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C2=C1C=C(C=C(O)C2=O)C1OC2=CC(O)=CC(O)=C2CC1OC(=O)C1=CC2=C(C(O)=C(O)C=C2C2OC3=CC(O)=CC(O)=C3CC2O)C(=O)C(O)=C1,"InChI=1S/C50H38O21/c51-18-5-28(54)25-13-35(61)48(69-37(25)8-18)23-11-33(59)45(65)41-21(23)1-16(3-31(57)43(41)63)47-40(15-27-30(56)7-20(53)10-39(27)68-47)71-50(67)17-2-22-24(12-34(60)46(66)42(22)44(64)32(58)4-17)49-36(62)14-26-29(55)6-19(52)9-38(26)70-49/h1-12,35-36,40,47-49,51-56,59-62,65-66H,13-15H2,(H,57,63)(H,58,64)",LEZCABNDEPYEFZ,UHFFFAOYSA,N,Theadibenzotropolone A,LEZCABNDEPYEFZ-UHFFFAOYSA-N
HMDB39810,296.125988372,C15H20O6,CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(=O)C3O)C12,"InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3",OGOHSCJKRSLFLO,UHFFFAOYSA,N,Cyclocalopin A,OGOHSCJKRSLFLO-UHFFFAOYSA-N
HMDB39811,382.162767808,C19H26O8,CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(OC(C)=O)C3OC(C)=O)C12,"InChI=1S/C19H26O8/c1-9-6-7-19(16(26-12(4)21)14(9)25-11(3)20)13-10(2)8-24-17(22)15(13)27-18(19,5)23/h6,10,13-16,23H,7-8H2,1-5H3",OAMXBKFTDLDKCN,UHFFFAOYSA,N,Cyclocalopin B,OAMXBKFTDLDKCN-UHFFFAOYSA-N
HMDB39812,296.125988372,C15H20O6,CC1COC(=O)C2OC(C)(O)C3(C=CC(=C)C(O)C3O)C12,"InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4-5,8-12,16-17,19H,1,6H2,2-3H3",JCKVAXRAVFAUJA,UHFFFAOYSA,N,Cyclocalopin C1,JCKVAXRAVFAUJA-UHFFFAOYSA-N
HMDB39813,516.18429111,C23H32O13,CC1COC(=O)C2OC3(C)OC4CC3(C12)C(O)C(OC1OC(CO)C(O)C(O)C1O)=C4COC(C)=O,"InChI=1S/C23H32O13/c1-8-6-32-20(30)18-13(8)23-4-11(35-22(23,3)36-18)10(7-31-9(2)25)17(19(23)29)34-21-16(28)15(27)14(26)12(5-24)33-21/h8,11-16,18-19,21,24,26-29H,4-7H2,1-3H3",PDSOUSYYTLHECG,UHFFFAOYSA,N,Cyclocalopin D,PDSOUSYYTLHECG-UHFFFAOYSA-N
HMDB39814,296.125988372,C15H20O6,CC1COC(=O)C2OC3(C)OC4CC3(C12)C(O)C(=O)C4C,"InChI=1S/C15H20O6/c1-6-5-19-13(18)11-9(6)15-4-8(20-14(15,3)21-11)7(2)10(16)12(15)17/h6-9,11-12,17H,4-5H2,1-3H3",HQXFOQULVCDQQO,UHFFFAOYSA,N,Cyclocalopin E,HQXFOQULVCDQQO-UHFFFAOYSA-N
HMDB39815,315.100330438,C16H15F2N3Si,C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1,"InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3",FQKUGOMFVDPBIZ,UHFFFAOYSA,N,Flusilazole,FQKUGOMFVDPBIZ-UHFFFAOYSA-N
HMDB39816,152.120115134,C10H16O,CCCCCCC1=CC=CO1,"InChI=1S/C10H16O/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3",XBLCAKKYMZVLPU,UHFFFAOYSA,N,2-Hexylfuran,XBLCAKKYMZVLPU-UHFFFAOYSA-N
HMDB39817,149.033290737,C5H11NS2,CC1NC(C)SCS1,"InChI=1S/C5H11NS2/c1-4-6-5(2)8-3-7-4/h4-6H,3H2,1-2H3",SORBXLXSXNAVRV,UHFFFAOYSA,N,"Dihydro-4,6-dimethyl-4H-1,3,5-dithiazine",SORBXLXSXNAVRV-UHFFFAOYSA-N
HMDB39818,474.15847029,C17H30O15,OCC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O,"InChI=1S/C17H30O15/c18-1-4-7(20)10(23)13(26)16(30-4)28-3-6-9(22)11(24)14(15(27)29-6)32-17-12(25)8(21)5(2-19)31-17/h4-27H,1-3H2",KXPJZDSXKZWJBT,UHFFFAOYSA,N,a-L-Arabinofuranosyl-(1->2)-[a-D-mannopyranosyl-(1->6)]-D-mannose,KXPJZDSXKZWJBT-UHFFFAOYSA-N
HMDB39819,128.083729628,C7H12O2,CC(C)\C=C(/C)C(O)=O,"InChI=1S/C7H12O2/c1-5(2)4-6(3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+",DMHLGGQHOSTMJG,GQCTYLIASA,N,"2,4-Dimethyl-2-pentenoic acid",DMHLGGQHOSTMJG-GQCTYLIASA-N
HMDB39820,220.037173366,C11H8O5,COC1=C2OC(=O)C=CC2=CC2=C1OCO2,"InChI=1S/C11H8O5/c1-13-11-9-6(2-3-8(12)16-9)4-7-10(11)15-5-14-7/h2-4H,5H2,1H3",GDJFGAQXNUYMPM,UHFFFAOYSA,N,"8-Methoxy-6,7-methylenedioxycoumarin",GDJFGAQXNUYMPM-UHFFFAOYSA-N
HMDB39821,320.198759384,C19H28O4,CCCCCCCC(OC(C)=O)C(O)CC#CC#CC(O)C=C,"InChI=1S/C19H28O4/c1-4-6-7-8-12-15-19(23-16(3)20)18(22)14-11-9-10-13-17(21)5-2/h5,17-19,21-22H,2,4,6-8,12,14-15H2,1,3H3",PNELZYLPPYPWTP,UHFFFAOYSA,N,10-Acetylpanaxytriol,PNELZYLPPYPWTP-UHFFFAOYSA-N
HMDB39822,428.36543078,C29H48O2,CCC(CCC(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-20,22-26H,7-17H2,1-6H3",HMMVBUVVQLUGQA,UHFFFAOYSA,N,"Stigmastane-3,6-dione",HMMVBUVVQLUGQA-UHFFFAOYSA-N
HMDB39823,452.13186161,C21H24O11,OC[C@H]1OC([C@H](O)[C@@H](O)[C@H]1O)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC=C(O)C(O)=C1,"InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16+,17+,18-,19-,21?/m1/s1",XWDHVYPMZCGHNM,SIYXLXDSSA,N,(-)-Epicatechin 8-C-galactoside,XWDHVYPMZCGHNM-SIYXLXDSSA-N
HMDB39824,338.136553058,C17H22O7,CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(=O)C3OC(C)=O)C12,"InChI=1S/C17H22O7/c1-8-5-6-17(14(12(8)19)23-10(3)18)11-9(2)7-22-15(20)13(11)24-16(17,4)21/h5,9,11,13-14,21H,6-7H2,1-4H3",RFOIMKJJHPMORA,UHFFFAOYSA,N,O-Acetylcyclocalopin A,RFOIMKJJHPMORA-UHFFFAOYSA-N
HMDB39825,294.110338308,C15H18O6,CC1COC(=O)C2OC3(C)OC4CC3(C12)C(O)C(=O)C4=C,"InChI=1S/C15H18O6/c1-6-5-19-13(18)11-9(6)15-4-8(20-14(15,3)21-11)7(2)10(16)12(15)17/h6,8-9,11-12,17H,2,4-5H2,1,3H3",UGWYLYUJRHPKJY,UHFFFAOYSA,N,Cyclocalopin F,UGWYLYUJRHPKJY-UHFFFAOYSA-N
HMDB39826,118.045235632,C5H10OS,CC1OCCCS1,"InChI=1S/C5H10OS/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3",VKZBKCJAWXBYBF,UHFFFAOYSA,N,"xi-2-Methyl-1,3-oxathiane",VKZBKCJAWXBYBF-UHFFFAOYSA-N
HMDB39827,290.26096571,C20H34O,CC(C)C1(O)CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/C1,"InChI=1S/C20H34O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,21H,6-7,9-10,13-15H2,1-5H3/b17-8-,18-12-,19-11-",ZVWXZFYWLABNOW,XBMWAWDJSA,N,Serratol,ZVWXZFYWLABNOW-XBMWAWDJSA-N
HMDB39828,145.986006194,C5H6OS2,CC1=C(S)C(=O)CS1,"InChI=1S/C5H6OS2/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3",PQKQGARVVUSJKY,UHFFFAOYSA,N,4-Mercapto-5-methyl-3(2H)-thiophenone,PQKQGARVVUSJKY-UHFFFAOYSA-N
HMDB39829,1196.582597738,C56H92O27,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C56H92O27/c1-21-7-12-56(73-19-21)22(2)34-29(83-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)74-50-43(70)40(67)45(33(18-60)78-50)79-53-48(47(38(65)32(17-59)77-53)81-49-41(68)35(62)28(61)20-72-49)82-52-44(71)46(37(64)31(16-58)76-52)80-51-42(69)39(66)36(63)30(15-57)75-51/h21-53,57-71H,5-20H2,1-4H3",QERHBVOJJKVACB,UHFFFAOYSA,N,Sativoside R2,QERHBVOJJKVACB-UHFFFAOYSA-N
HMDB39830,1376.645985854,C62H104O33,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(OC2OCC(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C62H104O33/c1-22(20-83-54-46(78)42(74)38(70)31(15-63)86-54)7-12-62(82)23(2)36-30(95-62)14-28-26-6-5-24-13-25(8-10-60(24,3)27(26)9-11-61(28,36)4)85-57-49(81)52(93-55-45(77)37(69)29(68)21-84-55)50(35(19-67)90-57)91-59-53(44(76)40(72)33(17-65)89-59)94-58-48(80)51(41(73)34(18-66)88-58)92-56-47(79)43(75)39(71)32(16-64)87-56/h22-59,63-82H,5-21H2,1-4H3",ALCDRHDQCMYPMK,UHFFFAOYSA,N,Sativoside R1,ALCDRHDQCMYPMK-UHFFFAOYSA-N
HMDB39831,148.100048394,C9H12N2,CC1CCC2=C1N=CC(C)=N2,"InChI=1S/C9H12N2/c1-6-3-4-8-9(6)10-5-7(2)11-8/h5-6H,3-4H2,1-2H3",CTFGVWCFSGCLHZ,UHFFFAOYSA,N,"6,7-Dihydro-2,5-dimethyl-5H-cyclopentapyrazine",CTFGVWCFSGCLHZ-UHFFFAOYSA-N
HMDB39832,148.100048394,C9H12N2,CC1CC2=C(C1)N=C(C)C=N2,"InChI=1S/C9H12N2/c1-6-3-8-9(4-6)11-7(2)5-10-8/h5-6H,3-4H2,1-2H3",FKMPZHRHBYPYIZ,UHFFFAOYSA,N,"6,7-Dihydro-2,6-dimethyl-5H-cyclopentapyrazine",FKMPZHRHBYPYIZ-UHFFFAOYSA-N
HMDB39833,155.131014171,C9H17NO,CCC(N1CCCC1)C(C)=O,"InChI=1S/C9H17NO/c1-3-9(8(2)11)10-6-4-5-7-10/h9H,3-7H2,1-2H3",RDPXXKUWQXFOHG,UHFFFAOYSA,N,3-(1-Pyrrolidinyl)-2-pentanone,RDPXXKUWQXFOHG-UHFFFAOYSA-N
HMDB39834,155.131014171,C9H17NO,CCC(=O)C(C)N1CCCC1,"InChI=1S/C9H17NO/c1-3-9(11)8(2)10-6-4-5-7-10/h8H,3-7H2,1-2H3",URXJQXJRZXGXTQ,UHFFFAOYSA,N,2-(1-Pyrrolidinyl)-3-pentanone,URXJQXJRZXGXTQ-UHFFFAOYSA-N
HMDB39835,151.099714043,C9H13NO,C1CCC(NC1)C1=CC=CO1,"InChI=1S/C9H13NO/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5,7-8,10H,1-2,4,6H2",MIJFUNGHFNXZGN,UHFFFAOYSA,N,2-(2-Furanyl)piperidine,MIJFUNGHFNXZGN-UHFFFAOYSA-N
HMDB39836,165.115364107,C10H15NO,CC1=CC=C(O1)C1CCCCN1,"InChI=1S/C10H15NO/c1-8-5-6-10(12-8)9-4-2-3-7-11-9/h5-6,9,11H,2-4,7H2,1H3",PAHYJZIMPANAIV,UHFFFAOYSA,N,2-(5-Methyl-2-furanyl)piperidine,PAHYJZIMPANAIV-UHFFFAOYSA-N
HMDB39837,167.094628665,C9H13NO2,OC1CCCNC1C1=CC=CO1,"InChI=1S/C9H13NO2/c11-7-3-1-5-10-9(7)8-4-2-6-12-8/h2,4,6-7,9-11H,1,3,5H2",KPVVMDIEDRJBAF,UHFFFAOYSA,N,2-(2-Furanyl)-3-piperidinol,KPVVMDIEDRJBAF-UHFFFAOYSA-N
HMDB39838,181.110278729,C10H15NO2,CC1=CC=C(O1)C1NCCCC1O,"InChI=1S/C10H15NO2/c1-7-4-5-9(13-7)10-8(12)3-2-6-11-10/h4-5,8,10-12H,2-3,6H2,1H3",KHCYBVSLKKTRRJ,UHFFFAOYSA,N,2-(5-Methyl-2-furanyl)-3-piperidinol,KHCYBVSLKKTRRJ-UHFFFAOYSA-N
HMDB39839,141.115364107,C8H15NO,CCC(=O)CN1CCCC1,"InChI=1S/C8H15NO/c1-2-8(10)7-9-5-3-4-6-9/h2-7H2,1H3",FKJHJSJBXISMIR,UHFFFAOYSA,N,1-(1-Pyrrolidinyl)-2-butanone,FKJHJSJBXISMIR-UHFFFAOYSA-N
HMDB39840,141.115364107,C8H15NO,CC(N1CCCC1)C(C)=O,"InChI=1S/C8H15NO/c1-7(8(2)10)9-5-3-4-6-9/h7H,3-6H2,1-2H3",IXYTUYCLJBLYKD,UHFFFAOYSA,N,3-(1-Pyrrolidinyl)-2-butanone,IXYTUYCLJBLYKD-UHFFFAOYSA-N
HMDB39841,192.115029756,C12H16O2,CC1OC(CC2=CC=CC=C2)OC1C,"InChI=1S/C12H16O2/c1-9-10(2)14-12(13-9)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3",VMVFTCHLZRRVDJ,UHFFFAOYSA,N,"2-Benzyl-4,5-dimethyl-1,3-dioxolane",VMVFTCHLZRRVDJ-UHFFFAOYSA-N
HMDB39842,499.803251156,C15H8Cl8O2,CC(C)(C1=C(Cl)C(Cl)=C(O)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(O)C(Cl)=C1Cl,"InChI=1S/C15H8Cl8O2/c1-15(2,3-5(16)9(20)13(24)10(21)6(3)17)4-7(18)11(22)14(25)12(23)8(4)19/h24-25H,1-2H3",OJTHLNYBRBMCBW,UHFFFAOYSA,N,Butter acids,OJTHLNYBRBMCBW-UHFFFAOYSA-N
HMDB39843,132.060885696,C6H12OS,CSC(=O)CC(C)C,"InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3",MPLWTJZAFOVXKP,UHFFFAOYSA,N,S-Methyl 3-methylthiobutyrate,MPLWTJZAFOVXKP-UHFFFAOYSA-N
HMDB39844,124.088815006,C8H12O,C\C=C\CC\C=C\C=O,"InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3/b3-2+,7-6+",CBXNRMOWVZUZQA,BLWKUPHCSA,N,"(E,E)-2,6-Octadienal",CBXNRMOWVZUZQA-BLWKUPHCSA-N
HMDB39845,249.133813404,C11H21O6,OCC(O)CO.CCCCCC(=O)CC([O-])=O,"InChI=1S/C8H14O3.C3H8O3/c1-2-3-4-5-7(9)6-8(10)11;4-1-3(6)2-5/h2-6H2,1H3,(H,10,11);3-6H,1-2H2/p-1",MGCDWHRMOGSFGG,UHFFFAOYSA,M,3-Oxooctanoic acid glycerides,MGCDWHRMOGSFGG-UHFFFAOYSA-M
HMDB39846,277.165113532,C13H25O6,OCC(O)CO.CCCCCCCC(=O)CC([O-])=O,"InChI=1S/C10H18O3.C3H8O3/c1-2-3-4-5-6-7-9(11)8-10(12)13;4-1-3(6)2-5/h2-8H2,1H3,(H,12,13);3-6H,1-2H2/p-1",CJVZCBQCJRTPTD,UHFFFAOYSA,M,3-Oxodecanoic acid glycerides,CJVZCBQCJRTPTD-UHFFFAOYSA-M
HMDB39847,305.19641366,C15H29O6,OCC(O)CO.CCCCCCCCCC(=O)CC([O-])=O,"InChI=1S/C12H22O3.C3H8O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15;4-1-3(6)2-5/h2-10H2,1H3,(H,14,15);3-6H,1-2H2/p-1",CVKKYCUFKRXUJN,UHFFFAOYSA,M,3-Oxododecanoic acid glycerides,CVKKYCUFKRXUJN-UHFFFAOYSA-M
HMDB39848,333.227713788,C17H33O6,OCC(O)CO.CCCCCCCCCCCC(=O)CC([O-])=O,"InChI=1S/C14H26O3.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17;4-1-3(6)2-5/h2-12H2,1H3,(H,16,17);3-6H,1-2H2/p-1",OBUIJXGSLHKGIH,UHFFFAOYSA,M,3-Oxotetradecanoic acid glycerides,OBUIJXGSLHKGIH-UHFFFAOYSA-M
HMDB39849,361.259013916,C19H37O6,OCC(O)CO.CCCCCCCCCCCCCC(=O)CC([O-])=O,"InChI=1S/C16H30O3.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19;4-1-3(6)2-5/h2-14H2,1H3,(H,18,19);3-6H,1-2H2/p-1",HHAVRMJJTUPTJX,UHFFFAOYSA,M,3-Oxohexadecanoic acid glycerides,HHAVRMJJTUPTJX-UHFFFAOYSA-M
HMDB39850,770.226943784,C34H42O20,COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-15(37)7-13(35)8-17(19)51-29(31)12-4-5-14(36)16(6-12)47-3/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3",JWHAWYQFMISEEO,UHFFFAOYSA,N,Isorhamnetin 3-O-[a-L-rhamnopyranosyl-(1->3)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside],JWHAWYQFMISEEO-UHFFFAOYSA-N
HMDB39851,926.487515564,C47H74O18,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-32(54)30(52)29(51)24(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)35(33(55)36(64-40)37(57)58)63-38-31(53)28(50)23(49)20-60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)",BAJBCZHVQXVBMJ,UHFFFAOYSA,N,Quinoside D,BAJBCZHVQXVBMJ-UHFFFAOYSA-N
HMDB39852,458.178811802,C21H30O11,CC1=CC2OC3C(CC(C)(C33CO3)C2(CO)C(O)C1=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3",PUMXWMGECQIOGB,UHFFFAOYSA,N,Deoxynivalenol 3-glucoside,PUMXWMGECQIOGB-UHFFFAOYSA-N
HMDB39853,196.920196812,C5H2Cl3NO,OC1=NC(Cl)=C(Cl)C=C1Cl,"InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)",WCYYAQFQZQEUEN,UHFFFAOYSA,N,"3,5,6-Trichloro-2-pyridinol",WCYYAQFQZQEUEN-UHFFFAOYSA-N
HMDB39854,156.151415262,C10H20O,CCCCCCCC(O)C=C,"InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h4,10-11H,2-3,5-9H2,1H3",NSFWLHKFTGZFBP,UHFFFAOYSA,N,1-Decen-3-ol,NSFWLHKFTGZFBP-UHFFFAOYSA-N
HMDB39855,578.163555668,C27H30O14,CC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O2)C(C2OC(CO)C(O)C(O)C2O)=C(O)C=C3O)C(O)C(O)C1O,"InChI=1S/C27H30O14/c1-9-19(32)21(34)24(37)27(38-9)39-11-4-2-10(3-5-11)15-7-14(31)17-12(29)6-13(30)18(25(17)40-15)26-23(36)22(35)20(33)16(8-28)41-26/h2-7,9,16,19-24,26-30,32-37H,8H2,1H3",ZIIBNXKQZAUBRD,UHFFFAOYSA,N,Vitexin 4'-O-alpha-L-Rhamnopyranoside,ZIIBNXKQZAUBRD-UHFFFAOYSA-N
HMDB39856,608.174120354,C28H32O15,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1,"InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3",VCCNKWWXYVWTLT,UHFFFAOYSA,N,Diosmetin 7-neohesperidoside,VCCNKWWXYVWTLT-UHFFFAOYSA-N
HMDB39857,449.231456495,C26H31N3O4,COC1=CC=C2C=C1OC1=CC=C(C=C1)\C=C\C(=O)NCCCNCCCCNC(=O)\C=C\2,"InChI=1S/C26H31N3O4/c1-32-23-12-7-21-9-14-26(31)28-17-3-2-15-27-16-4-18-29-25(30)13-8-20-5-10-22(11-6-20)33-24(23)19-21/h5-14,19,27H,2-4,15-18H2,1H3,(H,28,31)(H,29,30)/b13-8+,14-9+",IXYCICGPUOJVOW,UQNWOCKMSA,N,Cadabicine methyl ether,IXYCICGPUOJVOW-UQNWOCKMSA-N
HMDB39858,288.136159128,C17H20O4,CCC(OC(=O)C(\C)=C\C)\C=C1\OC(=O)C2=C1CCC=C2,"InChI=1S/C17H20O4/c1-4-11(3)16(18)20-12(5-2)10-15-13-8-6-7-9-14(13)17(19)21-15/h4,7,9-10,12H,5-6,8H2,1-3H3/b11-4+,15-10+",JZZIVNUYKVAAGC,JZFHRPHZSA,N,Angeloylsenkyunolide F,JZZIVNUYKVAAGC-JZFHRPHZSA-N
HMDB39859,248.141244506,C15H20O3,CC(CC\C=C(/C)C=O)C1=CC(=O)C(C)=CC1O,"InChI=1S/C15H20O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11,15,18H,4,6H2,1-3H3/b10-5+",UZLYFZDXWGWUGA,BJMVGYQFSA,N,Glandulone C,UZLYFZDXWGWUGA-BJMVGYQFSA-N
HMDB39860,440.152990982,C17H28O13,COC1OC(C(OC2OC(C(C)C(O)C2O)C(=O)OCC(C)O)C(O)C1O)C(O)=O,"InChI=1S/C17H28O13/c1-5(18)4-27-15(25)11-6(2)7(19)9(21)17(28-11)29-12-8(20)10(22)16(26-3)30-13(12)14(23)24/h5-13,16-22H,4H2,1-3H3,(H,23,24)",HDSBZMRLPLPFLQ,UHFFFAOYSA,N,Propylene glycol alginate,HDSBZMRLPLPFLQ-UHFFFAOYSA-N
HMDB39861,708.169034976,C35H32O16,OC1COC(OC2C3C4=C(O)C=C(O)C=C4OC2(OC2=CC(O)=C4CC(O)C(OC4=C32)C2=CC=C(O)C(O)=C2)C2=CC=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C35H32O16/c36-14-7-21(42)26-24(8-14)50-35(13-2-4-17(38)20(41)6-13)33(49-34-30(46)29(45)23(44)11-47-34)28(26)27-25(51-35)10-18(39)15-9-22(43)31(48-32(15)27)12-1-3-16(37)19(40)5-12/h1-8,10,22-23,28-31,33-34,36-46H,9,11H2",SFVJFSIQKBXNPZ,UHFFFAOYSA,N,3-O-alpha-L-Arabinopyranosylproanthocyanidin A5',SFVJFSIQKBXNPZ-UHFFFAOYSA-N
HMDB39862,738.179599662,C36H34O17,OCC1OC(OC2C3C4=C(O)C=C(O)C=C4OC2(OC2=CC(O)=C4CC(O)C(OC4=C32)C2=CC=C(O)C(O)=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C36H34O17/c37-11-25-29(46)30(47)31(48)35(49-25)51-34-28-26-21(44)7-14(38)8-23(26)52-36(34,13-2-4-17(40)20(43)6-13)53-24-10-18(41)15-9-22(45)32(50-33(15)27(24)28)12-1-3-16(39)19(42)5-12/h1-8,10,22,25,28-32,34-35,37-48H,9,11H2",JUIIUJBWZYKSEP,UHFFFAOYSA,N,3-O-beta-D-Galactopyranosylproanthocyanidin A5',JUIIUJBWZYKSEP-UHFFFAOYSA-N
HMDB39863,996.232423092,C50H44O22,OC1COC(OC2C3C4=C(OC2(OC2=C3C3=C(C(C(O)C(O3)C3=CC=C(O)C(O)=C3)C3=C(O)C=C(O)C5=C3OC(C(O)C5)C3=CC=C(O)C(O)=C3)C(O)=C2)C2=CC=C(O)C(O)=C2)C=C(O)C=C4O)C(O)C1O,"InChI=1S/C50H44O22/c51-19-10-28(59)35-33(11-19)71-50(18-3-6-23(54)27(58)9-18)48(70-49-43(66)41(64)32(63)15-67-49)40(35)38-34(72-50)14-30(61)37-39(42(65)45(69-47(37)38)17-2-5-22(53)26(57)8-17)36-29(60)13-24(55)20-12-31(62)44(68-46(20)36)16-1-4-21(52)25(56)7-16/h1-11,13-14,31-32,39-45,48-49,51-66H,12,15H2",QWIMQWJUSBZQGZ,UHFFFAOYSA,N,3-O-alpha-L-Arabinopyranosylcinnamtannin B1,QWIMQWJUSBZQGZ-UHFFFAOYSA-N
HMDB39864,1026.242987778,C51H46O23,OCC1OC(OC2C3C4=C(OC2(OC2=C3C3=C(C(C(O)C(O3)C3=CC=C(O)C(O)=C3)C3=C(O)C=C(O)C5=C3OC(C(O)C5)C3=CC=C(O)C(O)=C3)C(O)=C2)C2=CC=C(O)C(O)=C2)C=C(O)C=C4O)C(O)C(O)C1O,"InChI=1S/C51H46O23/c52-15-34-41(65)43(67)44(68)50(69-34)72-49-40-35-28(61)10-19(53)11-32(35)73-51(49,18-3-6-23(56)27(60)9-18)74-33-14-30(63)37-39(42(66)46(71-48(37)38(33)40)17-2-5-22(55)26(59)8-17)36-29(62)13-24(57)20-12-31(64)45(70-47(20)36)16-1-4-21(54)25(58)7-16/h1-11,13-14,31,34,39-46,49-50,52-68H,12,15H2",XIFRPUIQXADIQI,UHFFFAOYSA,N,3-O-beta-D-Galactopyranosylcinnamtannin B1,XIFRPUIQXADIQI-UHFFFAOYSA-N
HMDB39865,374.318480588,C25H42O2,CCCCCCCC\C=C\CCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h9-10,20-22,26-27H,2-8,11-19H2,1H3/b10-9+",KQGVEZGOGSMUMX,MDZDMXLPSA,N,"5-(10-Nonadecenyl)-1,3-benzenediol",KQGVEZGOGSMUMX-MDZDMXLPSA-N
HMDB39866,374.318480588,C25H42O2,CCCCCC\C=C\CCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h7-8,20-22,26-27H,2-6,9-19H2,1H3/b8-7+",IFIOXWORGZJDKV,BQYQJAHWSA,N,"5-(12-Nonadecenyl)-1,3-benzenediol",IFIOXWORGZJDKV-BQYQJAHWSA-N
HMDB39867,372.302830524,C25H40O2,CCCCC\C=C\C\C=C\CCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h6-7,9-10,20-22,26-27H,2-5,8,11-19H2,1H3/b7-6+,10-9+",QEMSHYYBCNAAQA,AVQMFFATSA,N,"5-(10,13-Nonadecadienyl)-1,3-benzenediol",QEMSHYYBCNAAQA-AVQMFFATSA-N
HMDB39868,402.349780716,C27H46O2,CCCCCCCC\C=C/CCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h9-10,22-24,28-29H,2-8,11-21H2,1H3/b10-9-",IUDPZEISCKIKPI,KTKRTIGZSA,N,"5-(12-Heneicosenyl)-1,3-benzenediol",IUDPZEISCKIKPI-KTKRTIGZSA-N
HMDB39869,402.349780716,C27H46O2,CCCCCC\C=C\CCCCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h7-8,22-24,28-29H,2-6,9-21H2,1H3/b8-7+",XCCWOQKGKACPQL,BQYQJAHWSA,N,"5-(14-Heneicosenyl)-1,3-benzenediol",XCCWOQKGKACPQL-BQYQJAHWSA-N
HMDB39870,402.349780716,C27H46O2,CCCC\C=C\CCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h5-6,22-24,28-29H,2-4,7-21H2,1H3/b6-5+",CJTCBXDFRDMBJW,AATRIKPKSA,N,"5-(16-Heneicosenyl)-1,3-benzenediol",CJTCBXDFRDMBJW-AATRIKPKSA-N
HMDB39871,400.334130652,C27H44O2,CCCCC\C=C/C\C=C/CCCCCCCCCCCC1=CC(O)=CC(O)=C1,"InChI=1S/C27H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h6-7,9-10,22-24,28-29H,2-5,8,11-21H2,1H3/b7-6-,10-9-",CFGQZPIKGWYREM,HZJYTTRNSA,N,"5-(12,15-Heneicosadienyl)-1,3-benzenediol",CFGQZPIKGWYREM-HZJYTTRNSA-N
HMDB39872,142.099379692,C8H14O2,CCCC\C=C\C(=O)OC,"InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h6-7H,3-5H2,1-2H3/b7-6+",IQQDLHGWGKEQDS,VOTSOKGWSA,N,Methyl 2-heptenoate,IQQDLHGWGKEQDS-VOTSOKGWSA-N
HMDB39873,263.094628665,C17H13NO2,NC1=CC=CC=C1C(=O)OC1=CC2=CC=CC=C2C=C1,"InChI=1S/C17H13NO2/c18-16-8-4-3-7-15(16)17(19)20-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,18H2",YJFCKXVXEKHSEC,UHFFFAOYSA,N,2-Naphthalenol 2-aminobenzoate,YJFCKXVXEKHSEC-UHFFFAOYSA-N
HMDB39874,182.094294314,C10H14O3,CC(C)CC(=O)OCC1=CC=CO1,"InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3",FKGUIBCHHSHJNQ,UHFFFAOYSA,N,Furfuryl isovalerate,FKGUIBCHHSHJNQ-UHFFFAOYSA-N
HMDB39875,142.045235632,C7H10OS,CCSCC1=CC=CO1,"InChI=1S/C7H10OS/c1-2-9-6-7-4-3-5-8-7/h3-5H,2,6H2,1H3",WGQJSONNMGREEA,UHFFFAOYSA,N,2-[(Ethylthio)methyl]furan,WGQJSONNMGREEA-UHFFFAOYSA-N
HMDB39876,342.116211546,C12H22O11,OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2",VCWMRQDBPZKXKG,UHFFFAOYSA,N,Fagopyritol A1,VCWMRQDBPZKXKG-UHFFFAOYSA-N
HMDB39877,274.0913342,C9H14N4O6,NC1=NC(O)=C(OC2OCC(O)C(O)C2O)C(N)=N1,"InChI=1S/C9H14N4O6/c10-6-5(7(17)13-9(11)12-6)19-8-4(16)3(15)2(14)1-18-8/h2-4,8,14-16H,1H2,(H5,10,11,12,13,17)",VSPBJCAGAJBGKS,UHFFFAOYSA,N,Charine,VSPBJCAGAJBGKS-UHFFFAOYSA-N
HMDB39878,626.148299534,C27H30O17,OCC1OC(OC2=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O17/c28-6-12-15(32)18(35)20(37)26(41-12)43-24-17(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-23(14)25(22(24)39)44-27-21(38)19(36)16(33)13(7-29)42-27/h1-5,12-13,15-16,18-21,26-30,32-39H,6-7H2",CSNXTSWTBUEIJB,UHFFFAOYSA,N,Vicinin 2,CSNXTSWTBUEIJB-UHFFFAOYSA-N
HMDB39879,299.115758037,C17H17NO4,CC(=O)OCN1C(=O)C2=C(OC(C)(C)C=C2)C2=CC=CC=C12,"InChI=1S/C17H17NO4/c1-11(19)21-10-18-14-7-5-4-6-12(14)15-13(16(18)20)8-9-17(2,3)22-15/h4-9H,10H2,1-3H3",JXPDGNCKRXEJET,UHFFFAOYSA,N,N-Acetoxymethylflindersine,JXPDGNCKRXEJET-UHFFFAOYSA-N
HMDB39880,356.23514489,C23H32O3,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(C)C(C=O)=CC(O)=C1O,"InChI=1S/C23H32O3/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)20(15-24)14-22(25)23(21)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+",ZLQKZPMAXCSTJG,VZRGJMDUSA,N,1-Formylneogrifolin,ZLQKZPMAXCSTJG-VZRGJMDUSA-N
HMDB39881,1120.566553744,C54H88O24,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C54H88O24/c1-49(2)14-15-54(48(69)70)23(16-49)22-8-9-29-51(5)12-11-31(50(3,4)28(51)10-13-52(29,6)53(22,7)17-30(54)59)75-47-43(78-45-39(67)37(65)33(61)25(19-56)72-45)42(35(63)27(21-58)74-47)77-46-40(68)41(34(62)26(20-57)73-46)76-44-38(66)36(64)32(60)24(18-55)71-44/h8,23-47,55-68H,9-21H2,1-7H3,(H,69,70)",OTHFLJIHGAFUCO,UHFFFAOYSA,N,Congmunoside XV,OTHFLJIHGAFUCO-UHFFFAOYSA-N
HMDB39883,414.26175357,C22H38O7,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O,"InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3",QAQJMLQRFWZOBN,UHFFFAOYSA,N,Ascorbyl palmitate,QAQJMLQRFWZOBN-UHFFFAOYSA-N
HMDB39884,208.18271539,C14H24O,O=C1CCCCCCCCCCC\C=C\1,"InChI=1S/C14H24O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h10,12H,1-9,11,13H2/b12-10+",RYRDADIPPFMIQM,ZRDIBKRKSA,N,2-Cyclotetradecen-1-one,RYRDADIPPFMIQM-ZRDIBKRKSA-N
HMDB39885,344.23514489,C22H32O3,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=C(O)C=C1C,"InChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)14-20(23)22(25)21(19)24/h8,10,12,14,23-25H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+",BACDZNLMIXNCOG,JTCWOHKRSA,N,3-Hydroxyneogrifolin,BACDZNLMIXNCOG-JTCWOHKRSA-N
HMDB39886,404.219888756,C23H32O6,COC1CC2C(C)=C(OC)C(=O)C3C2(C)C(CC2C(C)C=C(OC)C(=O)C32C)O1,"InChI=1S/C23H32O6/c1-11-8-15(26-5)21(25)23(4)13(11)9-16-22(3)14(10-17(27-6)29-16)12(2)19(28-7)18(24)20(22)23/h8,11,13-14,16-17,20H,9-10H2,1-7H3",MSXBIQMJEOYRDV,UHFFFAOYSA,N,16-Methyl-epi-nigakihemiacetal B,MSXBIQMJEOYRDV-UHFFFAOYSA-N
HMDB39887,726.309885552,C35H50O16,COC(=O)CC(OC(C)=O)C1(C)C(CC(=O)C2(C)C1CCC(C)(C(OC1OC(CO)C(O)C(O)C1O)C1=COC=C1)C21OC1C(O)=O)C(C)(C)O,"InChI=1S/C35H50O16/c1-16(37)48-22(13-23(39)46-7)33(5)19-8-10-32(4,35(28(51-35)29(43)44)34(19,6)21(38)12-20(33)31(2,3)45)27(17-9-11-47-15-17)50-30-26(42)25(41)24(40)18(14-36)49-30/h9,11,15,18-20,22,24-28,30,36,40-42,45H,8,10,12-14H2,1-7H3,(H,43,44)",UWQVYSUHQUNHFN,UHFFFAOYSA,N,Methyl nomilinate 17-glucoside,UWQVYSUHQUNHFN-UHFFFAOYSA-N
HMDB39888,340.100561482,C12H20O11,COC1C(O)C(O)C(OC2C(CO)OC(O)C2O)OC1C(O)=O,"InChI=1S/C12H20O11/c1-20-8-4(14)5(15)12(23-9(8)10(17)18)22-7-3(2-13)21-11(19)6(7)16/h3-9,11-16,19H,2H2,1H3,(H,17,18)",OEOHLRSMFNNTBF,UHFFFAOYSA,N,3-O-(4-O-Methyl-a-D-glucopyranuronosyl)-L-arabinose,OEOHLRSMFNNTBF-UHFFFAOYSA-N
HMDB39889,340.100561482,C12H20O11,CC1OC(O)C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O,"InChI=1S/C12H20O11/c1-2-8(5(15)6(16)11(20)21-2)22-12-7(17)3(13)4(14)9(23-12)10(18)19/h2-9,11-17,20H,1H3,(H,18,19)",AVNZRZCQPHKKAQ,UHFFFAOYSA,N,4-O-beta-D-Glucopyranuronosyl-L-fucose,AVNZRZCQPHKKAQ-UHFFFAOYSA-N
HMDB39890,866.169428906,C44H34O19,OC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C2OC(C(CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C44H34O19/c45-20-4-1-16(2-5-20)40-42(63-44(59)19-10-30(54)38(57)31(55)11-19)36(34-26(50)12-21(46)13-32(34)60-40)35-27(51)15-24(48)22-14-33(61-43(58)18-8-28(52)37(56)29(53)9-18)39(62-41(22)35)17-3-6-23(47)25(49)7-17/h1-13,15,33,36,39-40,42,45-57H,14H2",OLRSODFNPBNPAH,UHFFFAOYSA,N,"Epiafzelechin-(4b->8)-epicatechin 3,3'-digallate",OLRSODFNPBNPAH-UHFFFAOYSA-N
HMDB39891,368.147117744,C18H24O8,CC(C)=CCC1=CC(=CC=C1OC1OC(CO)C(O)C(O)C1O)C(O)=O,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)",ZTHSABILDCCHJR,UHFFFAOYSA,N,4-Hydroxy-3-prenylbenzoic acid glucoside,ZTHSABILDCCHJR-UHFFFAOYSA-N
HMDB39892,632.39243339,C36H56O9,CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(=O)C1,"InChI=1S/C36H56O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-22,24-28,30,37,39-41H,9-18H2,1-7H3,(H,42,43)",CBJRVPYJFXDQDY,UHFFFAOYSA,N,Cloversaponin I,CBJRVPYJFXDQDY-UHFFFAOYSA-N
HMDB39893,188.141244506,C10H20O3,CC(C)(O)C1CCC(C)(O)C(O)C1,"InChI=1S/C10H20O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h7-8,11-13H,4-6H2,1-3H3",KANCZQSRUGHECB,UHFFFAOYSA,N,"(1R,2R,4S)-p-Menthane-1,2,8-triol",KANCZQSRUGHECB-UHFFFAOYSA-N
HMDB39894,350.194067936,C16H30O8,CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(C)(O)C(O)C1,"InChI=1S/C16H30O8/c1-15(2,8-4-5-16(3,22)10(18)6-8)24-14-13(21)12(20)11(19)9(7-17)23-14/h8-14,17-22H,4-7H2,1-3H3",RPCUMNYZTIHHPA,UHFFFAOYSA,N,"(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside",RPCUMNYZTIHHPA-UHFFFAOYSA-N
HMDB39895,407.037843345,C11H21NO9S3,OCC1OC(S\C(CCCCS)=N\OS(O)(=O)=O)C(O)C(O)C1O,"InChI=1S/C11H21NO9S3/c13-5-6-8(14)9(15)10(16)11(20-6)23-7(3-1-2-4-22)12-21-24(17,18)19/h6,8-11,13-16,22H,1-5H2,(H,17,18,19)/b12-7+",KQCBSBJKABPMAT,KPKJPENVSA,N,4-Mercaptobutyl glucosinolate,KQCBSBJKABPMAT-KPKJPENVSA-N
HMDB39896,389.126322723,C23H19NO5,CN1C(CC(C)=O)C2=C(C=CC3=C2OCO3)C2=C1C1=CC3=C(OCO3)C=C1C=C2,"InChI=1S/C23H19NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-6,8-9,17H,7,10-11H2,1-2H3",ONEHMWWDDDSJBB,UHFFFAOYSA,N,xi-8-Acetonyldihydrosanguinarine,ONEHMWWDDDSJBB-UHFFFAOYSA-N
HMDB39897,623.389413697,C31H53N5O8,CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)(C)O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)CC)N(C)C1=O,"InChI=1S/C31H53N5O8/c1-10-18(3)24-29(41)35(9)25(19(4)11-2)30(42)34(8)20(5)26(38)32-15-14-23(37)44-22(17-31(6,7)43)28(40)36-16-12-13-21(36)27(39)33-24/h18-22,24-25,43H,10-17H2,1-9H3,(H,32,38)(H,33,39)",XRVWELKGJFSFHT,UHFFFAOYSA,N,Hydroxyhomodestruxin B,XRVWELKGJFSFHT-UHFFFAOYSA-N
HMDB39898,696.180268364,C33H32N2O15,OC1C(O)C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(O)C=C3CC(C([O-])=O)\[N+](=C/C=C4\CC(NC(=C4)C(O)=O)C(O)=O)C3=C2)C1O,"InChI=1S/C33H32N2O15/c36-18-4-1-15(2-5-18)3-6-26(38)48-14-25-27(39)28(40)29(41)33(50-25)49-24-13-21-17(12-23(24)37)11-22(32(46)47)35(21)8-7-16-9-19(30(42)43)34-20(10-16)31(44)45/h1-9,12-13,20,22,25,27-29,33,39-41H,10-11,14H2,(H5,36,37,38,42,43,44,45,46,47)",DZZRFXSVXQHJLV,UHFFFAOYSA,N,Gomphrenin II,DZZRFXSVXQHJLV-UHFFFAOYSA-N
HMDB39899,858.233091794,C39H42N2O20,COC1=C([O-])C=CC(\C=C\C(=O)OC2(CO)COC(OC3C(O)C(O)C(CO)OC3OC3=C(O)C=C4C(CC(C(O)=O)\[N+]4=C\C=C4/CC(NC(=C4)C(O)=O)C(O)=O)=C3)C2O)=C1,"InChI=1S/C39H42N2O20/c1-56-26-10-17(2-4-24(26)44)3-5-29(46)61-39(15-43)16-57-38(33(39)49)60-32-31(48)30(47)28(14-42)59-37(32)58-27-12-19-11-23(36(54)55)41(22(19)13-25(27)45)7-6-18-8-20(34(50)51)40-21(9-18)35(52)53/h2-8,10,12-13,21,23,28,30-33,37-38,42-43,47-49H,9,11,14-16H2,1H3,(H5,44,45,46,50,51,52,53,54,55)",TWFHWAJPRJAJTL,UHFFFAOYSA,N,15-Epibetanidin 5-[E-feruloyl-(->3)-apiosyl-(1->2)-glucoside],TWFHWAJPRJAJTL-UHFFFAOYSA-N
HMDB39900,449.204966973,C23H31NO8,OCC1OC(OC2=CC=C(\C=C\C(=O)OCC3CCN4CCCC34)C=C2)C(O)C(O)C1O,"InChI=1S/C23H31NO8/c25-12-18-20(27)21(28)22(29)23(32-18)31-16-6-3-14(4-7-16)5-8-19(26)30-13-15-9-11-24-10-1-2-17(15)24/h3-8,15,17-18,20-23,25,27-29H,1-2,9-13H2/b8-5+",VRWXOVDCMDXQDO,VMPITWQZSA,N,Thesinine 4'-O-glucoside,VRWXOVDCMDXQDO-VMPITWQZSA-N
HMDB39901,640.163949598,C28H32O17,COC1=C(OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C28H32O17/c1-40-26-19(35)17-13(33)5-10(6-14(17)42-24(26)9-2-3-11(31)12(32)4-9)41-27-23(39)21(37)25(16(8-30)44-27)45-28-22(38)20(36)18(34)15(7-29)43-28/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3",ZEFAZHUPULGHQG,UHFFFAOYSA,N,3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],ZEFAZHUPULGHQG-UHFFFAOYSA-N
HMDB39902,418.126382302,C21H22O9,OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C(CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H22O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,14,16,18-23,25-27H,8-9H2/t14?,16-,18-,19+,20-,21-/m1/s1",KKJXSJGKUZBVIH,RGHIGTIISA,N,Dihydrodaidzin,KKJXSJGKUZBVIH-RGHIGTIISA-N
HMDB39903,462.204238692,C28H30O6,CC(C)=CCC1=C2OC3=C(C(O)=C4C=CC(C)(C)OC4=C3)C(=O)C2=C2CCC(C)(C)OC2=C1O,"InChI=1S/C28H30O6/c1-14(2)7-8-17-23(30)26-16(10-12-28(5,6)34-26)20-24(31)21-19(32-25(17)20)13-18-15(22(21)29)9-11-27(3,4)33-18/h7,9,11,13,29-30H,8,10,12H2,1-6H3",CTTYZRNOKDZJRY,UHFFFAOYSA,N,Mangostenone B,CTTYZRNOKDZJRY-UHFFFAOYSA-N
HMDB39904,492.090390726,C22H20O13,COC1=CC(=CC(O)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1,"InChI=1S/C22H20O13/c1-32-14-3-7(2-11(25)16(14)26)12-6-10(24)15-9(23)4-8(5-13(15)34-12)33-22-19(29)17(27)18(28)20(35-22)21(30)31/h2-6,17-20,22-23,25-29H,1H3,(H,30,31)",VIYRBNJECSXYSN,UHFFFAOYSA,N,3'-Methoxytricetin 7-glucuronide,VIYRBNJECSXYSN-UHFFFAOYSA-N
HMDB39905,828.174908214,C38H36O21,COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3OC3OC(C(O)C(O)C3OC(=O)\C=C\C3=CC=C(O)C=C3)C(O)=O)C(O)=O)C=C2O1,"InChI=1S/C38H36O21/c1-52-22-9-15(10-23(53-2)26(22)43)20-13-19(41)25-18(40)11-17(12-21(25)55-20)54-37-34(30(47)28(45)31(57-37)35(48)49)59-38-33(29(46)27(44)32(58-38)36(50)51)56-24(42)8-5-14-3-6-16(39)7-4-14/h3-13,27-34,37-40,43-47H,1-2H3,(H,48,49)(H,50,51)/b8-5+",NBUOZEVVFWDVHF,VMPITWQZSA,N,Tricin 7-[p-coumaroyl-(->2)-glucuronyl-(1->2)-glucuronide],NBUOZEVVFWDVHF-VMPITWQZSA-N
HMDB39906,858.1854729,C39H38O22,COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3OC3OC(C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C(O)=O)C(O)=O)C=C2O1,"InChI=1S/C39H38O22/c1-53-21-8-14(4-6-17(21)40)5-7-25(43)58-34-30(47)28(45)33(37(51)52)60-39(34)61-35-31(48)29(46)32(36(49)50)59-38(35)56-16-11-18(41)26-19(42)13-20(57-22(26)12-16)15-9-23(54-2)27(44)24(10-15)55-3/h4-13,28-35,38-41,44-48H,1-3H3,(H,49,50)(H,51,52)/b7-5+",JYRTYJUTHIUANS,FNORWQNLSA,N,Tricin 7-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide],JYRTYJUTHIUANS-FNORWQNLSA-N
HMDB39907,888.196037586,C40H40O23,COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC(O)=C5C(=O)C=C(OC5=C4)C4=CC(OC)=C(O)C(OC)=C4)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=CC(OC)=C1O,"InChI=1S/C40H40O23/c1-54-21-7-14(8-22(55-2)27(21)44)5-6-25(43)60-35-31(48)29(46)34(38(52)53)62-40(35)63-36-32(49)30(47)33(37(50)51)61-39(36)58-16-11-17(41)26-18(42)13-19(59-20(26)12-16)15-9-23(56-3)28(45)24(10-15)57-4/h5-13,29-36,39-41,44-49H,1-4H3,(H,50,51)(H,52,53)/b6-5+",TUGAMOQNDVOVML,AATRIKPKSA,N,Tricin 7-[sinapoyl-(->2)-glucuronyl-(1->2)-glucuronide],TUGAMOQNDVOVML-AATRIKPKSA-N
HMDB39908,1034.217560888,C45H46O28,COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(OC4OC(C(O)C(O)C4O)C(O)=O)C3OC3OC(C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C(O)=O)C(O)=O)C=C2O1,"InChI=1S/C45H46O28/c1-63-21-8-14(4-6-17(21)46)5-7-25(49)68-38-31(54)30(53)36(41(59)60)71-44(38)73-39-34(69-43-32(55)28(51)29(52)35(70-43)40(57)58)33(56)37(42(61)62)72-45(39)66-16-11-18(47)26-19(48)13-20(67-22(26)12-16)15-9-23(64-2)27(50)24(10-15)65-3/h4-13,28-39,43-47,50-56H,1-3H3,(H,57,58)(H,59,60)(H,61,62)/b7-5+",WGCKHCXOSWSOKS,FNORWQNLSA,N,Tricin 7-[feruloyl-(->2)-glucuronyl-(1->2)-[glucuronyl-(1->3)]-glucuronide],WGCKHCXOSWSOKS-FNORWQNLSA-N
HMDB39909,608.174120354,C28H32O15,COC1=C(OC2OC(C)C(O)C(O)C2O)C=C(O)C2=C1OC=C(C2=O)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C28H32O15/c1-10-18(31)21(34)23(36)27(40-10)42-15-7-14(30)17-19(32)13(9-39-26(17)25(15)38-2)11-3-5-12(6-4-11)41-28-24(37)22(35)20(33)16(8-29)43-28/h3-7,9-10,16,18,20-24,27-31,33-37H,8H2,1-2H3",SVRABECZTWRKCD,UHFFFAOYSA,N,Isotectorigenin 4'-glucoside 7-rhamnoside,SVRABECZTWRKCD-UHFFFAOYSA-N
HMDB39910,552.18429111,C26H32O13,OCC1OC(OC2=CC=C(\C=C/C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O,"InChI=1S/C26H32O13/c27-10-17-19(30)21(32)23(34)25(38-17)36-15-5-3-12(4-6-15)1-2-13-7-14(29)9-16(8-13)37-26-24(35)22(33)20(31)18(11-28)39-26/h1-9,17-35H,10-11H2/b2-1-",YGQPMDDXSJHKJT,UPHRSURJSA,N,"(Z)-Resveratrol 3,4'-diglucoside",YGQPMDDXSJHKJT-UPHRSURJSA-N
HMDB39911,918.26411715,C39H50O25,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C39H50O25/c1-10-21(45)26(50)29(53)36(57-10)56-9-19-24(48)28(52)35(64-38-31(55)33(22(46)11(2)58-38)62-37-30(54)27(51)23(47)18(8-40)60-37)39(61-19)63-34-25(49)20-16(44)6-13(41)7-17(20)59-32(34)12-3-4-14(42)15(43)5-12/h3-7,10-11,18-19,21-24,26-31,33,35-48,50-55H,8-9H2,1-2H3",CBSLALAKOKYDBZ,UHFFFAOYSA,N,Hyperin 2''-[glucosyl-(1->3)-rhamnoside] 6''-rhamnoside,CBSLALAKOKYDBZ-UHFFFAOYSA-N
HMDB39912,426.167853186,C24H26O7,COC1=C(O)C=C2OC3=C(C(O)=C(CC(O)C(C)=C)C(O)=C3)C(=O)C2=C1CC=C(C)C,"InChI=1S/C24H26O7/c1-11(2)6-7-13-20-18(10-17(27)24(13)30-5)31-19-9-16(26)14(8-15(25)12(3)4)22(28)21(19)23(20)29/h6,9-10,15,25-28H,3,7-8H2,1-2,4-5H3",ATOPEAUOJODWMN,UHFFFAOYSA,N,Mangostenol,ATOPEAUOJODWMN-UHFFFAOYSA-N
HMDB39913,438.167853186,C25H26O7,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC(=O)C(C)=C)C(OC)=C(O)C=C1O2,"InChI=1S/C25H26O7/c1-12(2)7-8-14-18(30-5)11-20-22(23(14)28)24(29)21-15(9-16(26)13(3)4)25(31-6)17(27)10-19(21)32-20/h7,10-11,27-28H,3,8-9H2,1-2,4-6H3",CTHBSTBJHULKMD,UHFFFAOYSA,N,"1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(2-oxo-3-methyl-3-butenyl)-xanthone",CTHBSTBJHULKMD-UHFFFAOYSA-N
HMDB39914,440.18350325,C25H28O7,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(\C=C\C(C)(C)O)C(OC)=C(O)C=C1O2,"InChI=1S/C25H28O7/c1-13(2)7-8-14-17(30-5)12-19-21(22(14)27)23(28)20-15(9-10-25(3,4)29)24(31-6)16(26)11-18(20)32-19/h7,9-12,26-27,29H,8H2,1-6H3/b10-9+",QXRLQTRFEMAPRP,MDZDMXLPSA,N,"1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone",QXRLQTRFEMAPRP-MDZDMXLPSA-N
HMDB39915,440.18350325,C25H28O7,COC1=CC2=C(C(O)=C1CC(O)C(C)=C)C(=O)C1=C(CC=C(C)C)C(OC)=C(O)C=C1O2,"InChI=1S/C25H28O7/c1-12(2)7-8-14-21-19(10-17(27)25(14)31-6)32-20-11-18(30-5)15(9-16(26)13(3)4)23(28)22(20)24(21)29/h7,10-11,16,26-28H,3,8-9H2,1-2,4-6H3",IJQRCAZPGFDXPF,UHFFFAOYSA,N,"1,6-Dihydroxy-3,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone",IJQRCAZPGFDXPF-UHFFFAOYSA-N
HMDB39916,440.18350325,C25H28O7,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC(O)C(C)=C)C(OC)=C(O)C=C1O2,"InChI=1S/C25H28O7/c1-12(2)7-8-14-18(30-5)11-20-22(23(14)28)24(29)21-15(9-16(26)13(3)4)25(31-6)17(27)10-19(21)32-20/h7,10-11,16,26-28H,3,8-9H2,1-2,4-6H3",OHGAQNFIUCKPAY,UHFFFAOYSA,N,"1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone",OHGAQNFIUCKPAY-UHFFFAOYSA-N
HMDB39917,440.18350325,C25H28O7,COC1=C(OC)C(CC=C(C)C)=C2C(=O)C3=C(OC2=C1)C=C(O)C(CC(O)C(C)=C)=C3O,"InChI=1S/C25H28O7/c1-12(2)7-8-14-21-19(11-20(30-5)25(14)31-6)32-18-10-17(27)15(9-16(26)13(3)4)23(28)22(18)24(21)29/h7,10-11,16,26-28H,3,8-9H2,1-2,4-6H3",WLIFKNBFUXEMLY,UHFFFAOYSA,N,"1,3-Dihydroxy-6,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone",WLIFKNBFUXEMLY-UHFFFAOYSA-N
HMDB39918,454.199153314,C26H30O7,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(\C=C\C(C)(C)O)C(OC)=C(OC)C=C1O2,"InChI=1S/C26H30O7/c1-14(2)8-9-15-17(30-5)12-19-22(23(15)27)24(28)21-16(10-11-26(3,4)29)25(32-7)20(31-6)13-18(21)33-19/h8,10-13,27,29H,9H2,1-7H3/b11-10+",SPRXFHBMQQEVDG,ZHACJKMWSA,N,"1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone",SPRXFHBMQQEVDG-ZHACJKMWSA-N
HMDB39919,454.199153314,C26H30O7,COC1=CC2=C(C(O)=C1CC(O)C(C)=C)C(=O)C1=C(CC=C(C)C)C(OC)=C(OC)C=C1O2,"InChI=1S/C26H30O7/c1-13(2)8-9-15-22-19(12-21(31-6)26(15)32-7)33-20-11-18(30-5)16(10-17(27)14(3)4)24(28)23(20)25(22)29/h8,11-12,17,27-28H,3,9-10H2,1-2,4-7H3",ZIXGZQVFRYTLJJ,UHFFFAOYSA,N,"1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone",ZIXGZQVFRYTLJJ-UHFFFAOYSA-N
HMDB39920,454.199153314,C26H30O7,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC(O)C(C)=C)C(OC)=C(OC)C=C1O2,"InChI=1S/C26H30O7/c1-13(2)8-9-15-18(30-5)11-20-23(24(15)28)25(29)22-16(10-17(27)14(3)4)26(32-7)21(31-6)12-19(22)33-20/h8,11-12,17,27-28H,3,9-10H2,1-2,4-7H3",IUZNOAOULJFDJI,UHFFFAOYSA,N,"1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone",IUZNOAOULJFDJI-UHFFFAOYSA-N
HMDB39921,602.127170162,C28H26O15,OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)C1O,"InChI=1S/C28H26O15/c29-13-2-1-10(3-14(13)30)19-8-16(32)22-15(31)6-12(7-20(22)42-19)41-28-26(38)25(37)24(36)21(43-28)9-40-27(39)11-4-17(33)23(35)18(34)5-11/h1-7,19,21,24-26,28-31,33-38H,8-9H2",SHPCBRSOJXQRDY,UHFFFAOYSA,N,Eriodictyol 7-(6-galloylglucoside),SHPCBRSOJXQRDY-UHFFFAOYSA-N
HMDB39922,596.152990982,C30H28O13,OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C30H28O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-27(37)28(38)29(39)30(43-24)41-17-10-20(34)26-21(35)12-22(42-23(26)11-17)15-4-7-18(32)19(33)9-15/h1-11,22,24,27-34,37-39H,12-13H2/b8-3+",OGVBUVNWHBXNFL,FPYGCLRLSA,N,Eriodictyol 7-(6-trans-p-coumaroylglucoside),OGVBUVNWHBXNFL-FPYGCLRLSA-N
HMDB39923,506.10604079,C23H22O13,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(C)=O,"InChI=1S/C23H22O13/c1-7-20(34-8(2)24)18(31)19(32)23(33-7)36-22-17(30)15-11(26)5-10(25)6-14(15)35-21(22)9-3-12(27)16(29)13(28)4-9/h3-7,18-20,23,25-29,31-32H,1-2H3",SYFGHPIRFKVZAG,UHFFFAOYSA,N,4''-O-Acetylmyricitrin,SYFGHPIRFKVZAG-UHFFFAOYSA-N
HMDB39924,626.148299534,C27H30O17,OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H30O17/c28-6-12-15(31)19(35)22(38)26(42-12)41-11-5-10-14(17(33)21(37)24(40-10)8-1-3-9(30)4-2-8)18(34)25(11)44-27-23(39)20(36)16(32)13(7-29)43-27/h1-5,12-13,15-16,19-20,22-23,26-32,34-39H,6-7H2",GPJHFDIXJWVQRA,UHFFFAOYSA,N,"6-Hydroxykaempferol 6,7-diglucoside",GPJHFDIXJWVQRA-UHFFFAOYSA-N
HMDB39925,514.147511674,C26H26O11,COC1=CC=C(C=C1)C1=COC2=C(C=CC(OC3OC(COC(C)=O)C(O)C(O)C3OC(C)=O)=C2)C1=O,"InChI=1S/C26H26O11/c1-13(27)33-12-21-23(30)24(31)25(35-14(2)28)26(37-21)36-17-8-9-18-20(10-17)34-11-19(22(18)29)15-4-6-16(32-3)7-5-15/h4-11,21,23-26,30-31H,12H2,1-3H3",WAYQNCRYBDCMOP,UHFFFAOYSA,N,"2'',6''-Di-O-acetylononin",WAYQNCRYBDCMOP-UHFFFAOYSA-N
HMDB39926,500.135232428,C22H28O11S,COC1=CC(=CC(OC)=C1O)C1C(COS(O)(=O)=O)C(CO)CC2=CC(OC)=C(O)C(OC)=C12,"InChI=1S/C22H28O11S/c1-29-15-7-12(8-16(30-2)20(15)24)18-14(10-33-34(26,27)28)13(9-23)5-11-6-17(31-3)21(25)22(32-4)19(11)18/h6-8,13-14,18,23-25H,5,9-10H2,1-4H3,(H,26,27,28)",RRBNWWDPKOJFOA,UHFFFAOYSA,N,Lyoniresinol 9'-sulfate,RRBNWWDPKOJFOA-UHFFFAOYSA-N
HMDB39927,432.142032366,C22H24O9,COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C=C2,"InChI=1S/C22H24O9/c1-28-12-4-2-11(3-5-12)16-9-15(24)14-7-6-13(8-17(14)30-16)29-22-21(27)20(26)19(25)18(10-23)31-22/h2-8,16,18-23,25-27H,9-10H2,1H3",SBKZROAYFHGDCO,UHFFFAOYSA,N,4'-O-Methylglucoliquiritigenin,SBKZROAYFHGDCO-UHFFFAOYSA-N
HMDB39928,724.179205732,C39H32O14,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O,"InChI=1S/C39H32O14/c1-20-33(47)36(51-30(45)16-6-21-2-10-24(40)11-3-21)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-34(48)32-28(44)18-27(43)19-29(32)50-35(37)23-8-14-26(42)15-9-23/h2-20,33,36,38-44,47H,1H3/b16-6+,17-7+",HKZIBACORRUGAC,KGMKFKQSSA,N,"2'',3''-Di-O-p-coumaroylafzelin",HKZIBACORRUGAC-KGMKFKQSSA-N
HMDB39929,652.163949598,C29H32O17,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC(C)=O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(42-9)41-8-17-20(36)23(39)27(43-10(2)30)29(45-17)46-26-21(37)18-15(34)6-12(31)7-16(18)44-25(26)11-3-4-13(32)14(33)5-11/h3-7,9,17,19-20,22-24,27-29,31-36,38-40H,8H2,1-2H3",OTLZRRUHHNDQIU,UHFFFAOYSA,N,2''-O-Acetylrutin,OTLZRRUHHNDQIU-UHFFFAOYSA-N
HMDB39930,504.18429111,C22H32O13,CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C22H32O13/c1-3-9(2)15(26)14-11(25)4-10(24)5-12(14)34-20-18(29)17(28)16(27)13(35-20)6-32-21-19(30)22(31,7-23)8-33-21/h4-5,9,13,16-21,23-25,27-31H,3,6-8H2,1-2H3",MXXCYHQPSVRPOP,UHFFFAOYSA,N,(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],MXXCYHQPSVRPOP-UHFFFAOYSA-N
HMDB39931,652.127564092,C28H28O18,COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1,"InChI=1S/C28H28O18/c1-41-14-4-8(2-3-12(14)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-7,17-24,27-29,31-36H,1H3,(H,37,38)(H,39,40)",XGVYZZQNJZYTNO,UHFFFAOYSA,N,"Chrysoeriol 4',7-diglucuronide",XGVYZZQNJZYTNO-UHFFFAOYSA-N
HMDB39932,828.174908214,C38H36O21,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC(O)=C5C(=O)C=C(OC5=C4)C4=CC(OC)=C(O)C=C4)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=C1,"InChI=1S/C38H36O21/c1-52-22-9-14(3-6-17(22)39)4-8-25(43)56-33-29(46)27(44)32(36(50)51)58-38(33)59-34-30(47)28(45)31(35(48)49)57-37(34)54-16-11-19(41)26-20(42)13-21(55-24(26)12-16)15-5-7-18(40)23(10-15)53-2/h3-13,27-34,37-41,44-47H,1-2H3,(H,48,49)(H,50,51)/b8-4+",CQSOKHCNRZFEOH,XBXARRHUSA,N,Chrysoeriol 7-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide],CQSOKHCNRZFEOH-XBXARRHUSA-N
HMDB39933,1004.206996202,C44H44O27,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4C(O)C(OC5=CC(O)=C6C(=O)C=C(OC6=C5)C5=CC(OC)=C(O)C=C5)OC(C4O)C(O)=O)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=C1,"InChI=1S/C44H44O27/c1-62-22-9-14(3-6-17(22)45)4-8-25(49)66-37-29(52)27(50)34(39(56)57)69-43(37)71-38-30(53)28(51)35(40(58)59)70-44(38)67-33-31(54)36(41(60)61)68-42(32(33)55)64-16-11-19(47)26-20(48)13-21(65-24(26)12-16)15-5-7-18(46)23(10-15)63-2/h3-13,27-38,42-47,50-55H,1-2H3,(H,56,57)(H,58,59)(H,60,61)/b8-4+",LTLVGBOSZMAIHB,XBXARRHUSA,N,Chrysoeriol 7-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronyl-(1->3)-glucuronide],LTLVGBOSZMAIHB-XBXARRHUSA-N
HMDB39934,562.168641046,C27H30O13,CC1OC(OC2C(CO)OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=CC=C3)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O13/c1-11-20(31)21(32)23(34)26(36-11)40-25-18(10-28)39-27(24(35)22(25)33)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-9,11,18,20-29,31-35H,10H2,1H3",LFECMQHDADBFMC,UHFFFAOYSA,N,Chrysin 7-[rhamnosyl-(1->4)-glucoside],LFECMQHDADBFMC-UHFFFAOYSA-N
HMDB39935,434.121296924,C21H22O10,OCC1OC(OC2=CC(O)=C3C(=O)C(COC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H22O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,12,15,18-24,26-28H,7-8H2",HZFUHKPAKUYSOB,UHFFFAOYSA,N,Dihydrogenistin,HZFUHKPAKUYSOB-UHFFFAOYSA-N
HMDB39936,593.077874246,C25H21O17,OC1C(COC(=O)C(=O)OC(=O)C(O)=O)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C25H20O17/c26-9-4-12(28)10-6-15(20(39-14(10)5-9)8-1-2-11(27)13(29)3-8)40-25-19(32)18(31)17(30)16(41-25)7-38-23(36)24(37)42-22(35)21(33)34/h1-6,16-19,25,30-32H,7H2,(H4-,26,27,28,29,33,34,36,37)/p+1",NVVPFBWPZCYUJK,UHFFFAOYSA,O,Cyanidin 3-(6''-dioxalylglucoside),NVVPFBWPZCYUJK-UHFFFAOYSA-O
HMDB39937,349.334465003,C23H43NO,CCCCCCCCCCCCCCC\C=C\C(=O)N1CCCCC1,"InChI=1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+",PPSREOHNKFETQU,LVZFUZTISA,N,Pipercitine,PPSREOHNKFETQU-LVZFUZTISA-N
HMDB39938,713.156518496,C30H33O20,OC[C@H]1O[C@@H](OC2=CC(O)=CC3=C2C=C(O[C@@H]2O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C(=[O+]3)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C30H32O20/c31-7-17-22(39)24(41)26(43)29(49-17)47-15-4-10(32)3-14-11(15)5-16(28(46-14)9-1-12(33)21(38)13(34)2-9)48-30-27(44)25(42)23(40)18(50-30)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/p+1/t17-,18-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1",KKMPMQKPBOCHRG,YEQKKNNOSA,O,Delphinidin 3-(6''-malonylglucoside) 5-glucoside,KKMPMQKPBOCHRG-YEQKKNNOSA-O
HMDB39939,207.125928793,C12H17NO2,CN1CC(OC1(C)C)C1=CC=C(O)C=C1,"InChI=1S/C12H17NO2/c1-12(2)13(3)8-11(15-12)9-4-6-10(14)7-5-9/h4-7,11,14H,8H2,1-3H3",JJIWDWMLQCSXFB,UHFFFAOYSA,N,Synephrine acetonide,JJIWDWMLQCSXFB-UHFFFAOYSA-N
HMDB39940,178.012220944,C6H10O2S2,C=CCSS(=O)(=O)CC=C,"InChI=1S/C6H10O2S2/c1-3-5-9-10(7,8)6-4-2/h3-4H,1-2,5-6H2",FKSYNVLOSJKCKH,UHFFFAOYSA,N,S-2-Propenyl 2-propene-1-sulfonothioate,FKSYNVLOSJKCKH-UHFFFAOYSA-N
HMDB39941,902.248073156,C42H46O22,CC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C42H46O22/c1-16-28(48)34(54)39(64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-7-19(44)8-3-17)42(58-16)63-38-31(51)27-22(46)12-21(59-40-35(55)32(52)29(49)24(14-43)61-40)13-23(27)60-37(38)18-5-9-20(45)10-6-18/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+",GFXMZXPRAAYHIX,NYYWCZLTSA,N,Kaempferol 3-[2''-(6'''-coumaroylglucosyl)-rhamnoside] 7-glucoside,GFXMZXPRAAYHIX-NYYWCZLTSA-N
HMDB39942,1078.592374564,C53H90O22,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-42(66)38(62)35(59)27(19-54)70-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-41(65)34(58)26(57)21-68-46/h10,24-48,54-67H,9,11-22H2,1-8H3",MGEVFIHLEFXNMC,UHFFFAOYSA,N,Notoginsenoside L,MGEVFIHLEFXNMC-UHFFFAOYSA-N
HMDB39943,636.423733518,C36H60O9,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C,"InChI=1S/C36H60O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20,22-31,37,39-43H,9,11-18H2,1-8H3",VGJOYFZLAIERID,UHFFFAOYSA,N,Ginsenoside Rh8,VGJOYFZLAIERID-UHFFFAOYSA-N
HMDB39944,962.545030442,C48H82O19,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-39(61)35(57)32(54)26(19-50)65-43)22-11-15-46(6)30(22)23(51)16-28-45(5)14-12-29(52)44(3,4)40(45)24(17-47(28,46)7)63-42-38(60)36(58)33(55)27(66-42)20-62-41-37(59)34(56)31(53)25(18-49)64-41/h10,22-43,49-61H,9,11-20H2,1-8H3",SXNNDEIXKBANEP,UHFFFAOYSA,N,Notoginsenoside M,SXNNDEIXKBANEP-UHFFFAOYSA-N
HMDB39945,962.545030442,C48H82O19,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-37(60)34(57)32(55)26(19-50)64-43)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-41-38(61)35(58)39(27(20-51)65-41)66-42-36(59)33(56)31(54)25(18-49)63-42/h10,22-43,49-61H,9,11-20H2,1-8H3",XYDGLABNHGXTRN,UHFFFAOYSA,N,Notoginsenoside N,XYDGLABNHGXTRN-UHFFFAOYSA-N
HMDB39946,958.513730314,C48H78O19,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5C(O)CC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C48H78O19/c1-19-11-12-48(14-13-46(7)22(28(48)20(19)2)9-10-27-45(6)15-24(51)39(60)44(4,5)38(45)23(50)16-47(27,46)8)43(61)67-42-35(58)32(55)30(53)26(65-42)18-62-40-36(59)33(56)37(25(17-49)64-40)66-41-34(57)31(54)29(52)21(3)63-41/h9,19-21,23-42,49-60H,10-18H2,1-8H3",SOOVZDUBVGGAAJ,UHFFFAOYSA,N,Centellasaponin C,SOOVZDUBVGGAAJ-UHFFFAOYSA-N
HMDB39947,404.204632622,C19H32O9,CC(=O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H32O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,11-16,20,22-26H,7-9H2,1-4H3/b6-5+",PASRVRCWYGWSDQ,AATRIKPKSA,N,Pisumionoside,PASRVRCWYGWSDQ-AATRIKPKSA-N
HMDB39948,204.11100701,C8H16N2O4,NC(=O)CCN1CC(O)C(O)C1CO,"InChI=1S/C8H16N2O4/c9-7(13)1-2-10-3-6(12)8(14)5(10)4-11/h5-6,8,11-12,14H,1-4H2,(H2,9,13)",ARJIGPTXXUGWDZ,UHFFFAOYSA,N,"3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide",ARJIGPTXXUGWDZ-UHFFFAOYSA-N
HMDB39949,290.151809192,C17H22O4,CO\C=C(\C(C)C(OC)\C=C/C1=CC=CC=C1)C(=O)OC,"InChI=1S/C17H22O4/c1-13(15(12-19-2)17(18)21-4)16(20-3)11-10-14-8-6-5-7-9-14/h5-13,16H,1-4H3/b11-10-,15-12-",COBDENJOXQSLKO,MRZBGHJPSA,N,Oudemansin A,COBDENJOXQSLKO-MRZBGHJPSA-N
HMDB39950,888.4718655,C44H72O18,CC(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C44H72O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-8-26-19(2)31-28(59-26)12-23-21-7-6-20-11-27(24(46)13-44(20,4)22(21)9-10-43(23,31)3)60-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)25(47)16-57-40/h18,20-25,27-42,45-55H,5-17H2,1-4H3",AALVUUMVCUHIRJ,UHFFFAOYSA,N,Trigoneoside VIII,AALVUUMVCUHIRJ-UHFFFAOYSA-N
HMDB39951,756.21129372,C33H40O20,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)47-9-17-21(40)25(44)30(53-32-27(46)24(43)20(39)16(8-34)50-32)33(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3",VNLOLXSJMINBIS,UHFFFAOYSA,N,Kaempferol 3-(6''-rhamnosylsophoroside),VNLOLXSJMINBIS-UHFFFAOYSA-N
HMDB39952,394.147511674,C16H26O11,CC(C)=CC(=O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C16H26O11/c1-7(2)3-9(18)27-14-12(21)11(20)10(19)8(26-14)4-24-15-13(22)16(23,5-17)6-25-15/h3,8,10-15,17,19-23H,4-6H2,1-2H3",MVLVZZLLWUAMRM,UHFFFAOYSA,N,1-(3-Methyl-2-butenoyl)-6-apiosylglucose,MVLVZZLLWUAMRM-UHFFFAOYSA-N
HMDB39953,396.163161738,C16H28O11,CC(C)CC(=O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C16H28O11/c1-7(2)3-9(18)27-14-12(21)11(20)10(19)8(26-14)4-24-15-13(22)16(23,5-17)6-25-15/h7-8,10-15,17,19-23H,3-6H2,1-2H3",ZIEQNJFDWXPCBV,UHFFFAOYSA,N,1-(3-Methylbutanoyl)-6-apiosylglucose,ZIEQNJFDWXPCBV-UHFFFAOYSA-N
HMDB39954,345.303164875,C23H39NO,CCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1,"InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,24,25)",MLGPKWUKOQAAGI,UHFFFAOYSA,N,Macamide B,MLGPKWUKOQAAGI-UHFFFAOYSA-N
HMDB39955,271.095691297,C14H13N3O3,NC1=CC=C(C=C1)C(=O)NC1=CC=C(C(O)=O)C(N)=C1,"InChI=1S/C14H13N3O3/c15-9-3-1-8(2-4-9)13(18)17-10-5-6-11(14(19)20)12(16)7-10/h1-7H,15-16H2,(H,17,18)(H,19,20)",GGUOSFAJMKBDFW,UHFFFAOYSA,N,Carotamine,GGUOSFAJMKBDFW-UHFFFAOYSA-N
HMDB39956,152.083729628,C9H12O2,CCOCC1=CC=C(O)C=C1,"InChI=1S/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3",UWQZVUQKBWZNLN,UHFFFAOYSA,N,4-(Ethoxymethyl)phenol,UWQZVUQKBWZNLN-UHFFFAOYSA-N
HMDB39957,180.115029756,C11H16O2,CCCCOCC1=CC=C(O)C=C1,"InChI=1S/C11H16O2/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,12H,2-3,8-9H2,1H3",GGPCJIKQXDNJJY,UHFFFAOYSA,N,4-(Butoxymethyl)phenol,GGPCJIKQXDNJJY-UHFFFAOYSA-N
HMDB39958,310.10525293,C15H18O7,CC1OC(OC2=CC=C(C=O)C=C2)C(O)C(O)C1OC(C)=O,"InChI=1S/C15H18O7/c1-8-14(21-9(2)17)12(18)13(19)15(20-8)22-11-5-3-10(7-16)4-6-11/h3-8,12-15,18-19H,1-2H3",YHVJUTOZYWQYSQ,UHFFFAOYSA,N,1-Pentadecanecarboxylic acid,YHVJUTOZYWQYSQ-UHFFFAOYSA-N
HMDB39959,368.110732238,C17H20O9,COC1(CC(O)C(O)C(C1)OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3-",NRRBIAVXVIGMKC,HYXAFXHYSA,N,3-O-Caffeoyl-1-O-methylquinic acid,NRRBIAVXVIGMKC-HYXAFXHYSA-N
HMDB39960,368.110732238,C17H20O9,COC1=C(O)C=CC(\C=C/C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=C1,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3-",RAGZUCNPTLULOL,HYXAFXHYSA,N,3-O-Caffeoyl-4-O-methylquinic acid,RAGZUCNPTLULOL-HYXAFXHYSA-N
HMDB39961,295.105587281,C14H17NO6,OCC1OC(OC(C#N)C2=CC=CC=C2)C(O)C(O)C1O,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2",ZKSZEJFBGODIJW,UHFFFAOYSA,N,(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside,ZKSZEJFBGODIJW-UHFFFAOYSA-N
HMDB39962,640.32608516,C37H44N4O6,NCCCN(CCCCN(CCCNC(=O)\C=C\C1=CC=C(O)C=C1)C(=O)\C=C\C1=CC=C(O)C=C1)C(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C37H44N4O6/c38-23-3-27-40(36(46)21-12-30-7-16-33(43)17-8-30)25-1-2-26-41(37(47)22-13-31-9-18-34(44)19-10-31)28-4-24-39-35(45)20-11-29-5-14-32(42)15-6-29/h5-22,42-44H,1-4,23-28,38H2,(H,39,45)/b20-11+,21-12+,22-13+",ZCAPOTKWNMCAIB,YUXOBOFSSA,N,"N1,N5,N10-Tris-trans-p-coumaroylspermine",ZCAPOTKWNMCAIB-YUXOBOFSSA-N
HMDB39963,786.362864596,C46H50N4O8,OC1=CC=C(\C=C\C(=O)NCCCN(CCCCN(CCCNC(=O)\C=C\C2=CC=C(O)C=C2)C(=O)\C=C\C2=CC=C(O)C=C2)C(=O)\C=C\C2=CC=C(O)C=C2)C=C1,"InChI=1S/C46H50N4O8/c51-39-17-5-35(6-18-39)13-25-43(55)47-29-3-33-49(45(57)27-15-37-9-21-41(53)22-10-37)31-1-2-32-50(46(58)28-16-38-11-23-42(54)24-12-38)34-4-30-48-44(56)26-14-36-7-19-40(52)20-8-36/h5-28,51-54H,1-4,29-34H2,(H,47,55)(H,48,56)/b25-13+,26-14+,27-15+,28-16+",KKJYIHSXTUGJLP,BRJCPHQQSA,N,"N1,N5,N10,N14-Tetra-trans-p-coumaroylspermine",KKJYIHSXTUGJLP-BRJCPHQQSA-N
HMDB39964,388.173332494,C18H28O9,CC(OC1OC(CO)C(O)C(O)C1O)\C=C\CC1C(CC(O)=O)CCC1=O,"InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2+",LAYQBSCEPAXXNJ,NSCUHMNNSA,N,beta-D-Glucopyranosyl-11-hydroxyjasmonic acid,LAYQBSCEPAXXNJ-NSCUHMNNSA-N
HMDB39965,164.032956386,C6H12OS2,CCCSS(=O)CC=C,"InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4H,2-3,5-6H2,1H3",WIZBTKYLPUKXNY,UHFFFAOYSA,N,S-Propyl 2-propene-1-sulfinothioate,WIZBTKYLPUKXNY-UHFFFAOYSA-N
HMDB39966,639.1713807,C32H31O14,COC1=CC(=CC=C1O)C1=CC2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=[O+]C3=C2C(O1)=CC(O)=C3)C1=CC(OC)=C(O)C(OC)=C1,"InChI=1S/C32H30O14/c1-40-19-6-13(4-5-17(19)35)18-11-16-25-20(43-18)9-15(34)10-21(25)44-30(14-7-22(41-2)26(36)23(8-14)42-3)31(16)46-32-29(39)28(38)27(37)24(12-33)45-32/h4-11,24,27-29,32-33,37-39H,12H2,1-3H3,(H2-,34,35,36)/p+1/t24-,27-,28+,29-,32+/m1/s1",QARRSDFIUQJIHX,QPZIMESWSA,O,Malvidin 3-glucoside-4-vinylguaiacol,QARRSDFIUQJIHX-QPZIMESWSA-O
HMDB39967,1243.705236251,C67H105NO18S,CCCCCCCCCCCCC\C(O)=N\C(CS(=O)CC(CO)CC1CC(O)C2(C)OC3CC4OC5CC6(C)OC7(C)CCC8OC9CC%10(C)OC%11C(CC%10OC9CC(C)C8OC7CC6OC5(C)C\C=C/C4OC3CC2O1)OC(=O)C=C%11C)C(O)=O,"InChI=1S/C67H105NO18S/c1-9-10-11-12-13-14-15-16-17-18-19-22-58(71)68-43(62(73)74)38-87(75)37-41(36-69)28-42-29-52(70)67(8)56(76-42)31-48-49(83-67)30-47-44(77-48)21-20-24-63(4)57(80-47)35-66(7)55(84-63)33-54-64(5,86-66)25-23-45-60(82-54)39(2)26-46-51(78-45)34-65(6)53(79-46)32-50-61(85-65)40(3)27-59(72)81-50/h20-21,27,39,41-57,60-61,69-70H,9-19,22-26,28-38H2,1-8H3,(H,68,71)(H,73,74)/b21-20-",KYAFYTFKYPFMOV,MRCUWXFGSA,N,Brevetoxin B4a,KYAFYTFKYPFMOV-MRCUWXFGSA-N
HMDB39968,1271.736536379,C69H109NO18S,CCCCCCCCCCCCCCC\C(O)=N\C(CS(=O)CC(CO)CC1CC(O)C2(C)OC3CC4OC5CC6(C)OC7(C)CCC8OC9CC%10(C)OC%11C(CC%10OC9CC(C)C8OC7CC6OC5(C)C\C=C/C4OC3CC2O1)OC(=O)C=C%11C)C(O)=O,"InChI=1S/C69H109NO18S/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-24-60(73)70-45(64(75)76)40-89(77)39-43(38-71)30-44-31-54(72)69(8)58(78-44)33-50-51(85-69)32-49-46(79-50)23-22-26-65(4)59(82-49)37-68(7)57(86-65)35-56-66(5,88-68)27-25-47-62(84-56)41(2)28-48-53(80-47)36-67(6)55(81-48)34-52-63(87-67)42(3)29-61(74)83-52/h22-23,29,41,43-59,62-63,71-72H,9-21,24-28,30-40H2,1-8H3,(H,70,73)(H,75,76)/b23-22-",SZLQDAWKHKBNOD,FCQUAONHSA,N,Brevetoxin B4b,SZLQDAWKHKBNOD-FCQUAONHSA-N
HMDB39969,696.199547244,C42H32O10,OC1=CC=C(C=C1)C1OC2=CC3=C(C(C(O3)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C3=C2C1C1=C(C(C3)C2=CC=C(O)C=C2O)C(O)=CC(O)=C1,"InChI=1S/C42H32O10/c43-22-5-1-19(2-6-22)41-36(21-11-25(46)13-26(47)12-21)38-31-17-29(28-10-9-24(45)15-32(28)49)37-30(14-27(48)16-33(37)50)40-39(31)35(18-34(38)51-41)52-42(40)20-3-7-23(44)8-4-20/h1-16,18,29,36,40-50H,17H2",UEEKKINQMNKIGR,UHFFFAOYSA,N,Gnemonol A,UEEKKINQMNKIGR-UHFFFAOYSA-N
HMDB39970,724.433904274,C46H60O7,COC1=CC=C(C=C1)C(=O)OCC1(C)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(OC(=O)C2=CC=C(OC)C=C2)C(C)(C)C1CC4=O,"InChI=1S/C46H60O7/c1-41(2)35-26-34(47)38-33(44(35,5)20-19-37(41)53-40(49)30-12-16-32(51-9)17-13-30)18-21-45(6)36-27-42(3,22-23-43(36,4)24-25-46(38,45)7)28-52-39(48)29-10-14-31(50-8)15-11-29/h10-17,35-37H,18-28H2,1-9H3",XIPDKLJUGQQUJU,UHFFFAOYSA,N,"Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one",XIPDKLJUGQQUJU-UHFFFAOYSA-N
HMDB39971,406.199153314,C22H30O7,C\C=C(\C)C(=O)OC(CC=C(C)C)C(=C)C1C(O)C2OC2(C)C(=O)C1OC(C)=O,"InChI=1S/C22H30O7/c1-8-12(4)21(26)28-15(10-9-11(2)3)13(5)16-17(24)20-22(7,29-20)19(25)18(16)27-14(6)23/h8-9,15-18,20,24H,5,10H2,1-4,6-7H3/b12-8-",NTVBUJOKRXFMAK,WQLSENKSSA,N,"(1R,3R,4R,5S,6S,8x)-1-Acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxy-7(14),10-bisaboladien-2-one",NTVBUJOKRXFMAK-WQLSENKSSA-N
HMDB39972,590.136553058,C38H22O7,OC1=CC=C(C=C1)C1=C2C(=O)C3(O)OC4=CC=C5C=CC(C6=CC=CC=C6)=C6C(=O)C7(O)OC8=C(C3C7C4=C56)C2=C(C=C8)C=C1,"InChI=1S/C38H22O7/c39-22-12-6-19(7-13-22)24-15-9-21-11-17-26-32-28(21)30(24)36(41)38(43)34(32)33-31-25(45-38)16-10-20-8-14-23(18-4-2-1-3-5-18)29(27(20)31)35(40)37(33,42)44-26/h1-17,33-34,39,42-43H",XZCJFUARCWOJON,UHFFFAOYSA,N,4'-Hydroxyanigorootin,XZCJFUARCWOJON-UHFFFAOYSA-N
HMDB39973,606.13146768,C38H22O8,OC1=CC=C(C=C1)C1=C2C(=O)C3(O)OC4=C5C6C3C3=C2C(C=C1)=CC=C3OC6(O)C(=O)C1=C(C=CC(C=C4)=C51)C1=CC=C(O)C=C1,"InChI=1S/C38H22O8/c39-21-9-1-17(2-10-21)23-13-5-19-7-15-25-31-27(19)29(23)35(41)37(43)33(31)34-32-26(45-37)16-8-20-6-14-24(18-3-11-22(40)12-4-18)30(28(20)32)36(42)38(34,44)46-25/h1-16,33-34,39-40,43-44H",MQHLUOTXEDJGPU,UHFFFAOYSA,N,"4',4''-Dihydroxyanigorootin",MQHLUOTXEDJGPU-UHFFFAOYSA-N
HMDB39974,204.136159128,C10H20O4,CC(O)(CO)C1CCC(C)(O)C(O)C1,"InChI=1S/C10H20O4/c1-9(13)4-3-7(5-8(9)12)10(2,14)6-11/h7-8,11-14H,3-6H2,1-2H3",QEFNQQRVZDFDIJ,UHFFFAOYSA,N,"(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol",QEFNQQRVZDFDIJ-UHFFFAOYSA-N
HMDB39975,366.188982558,C16H30O9,CC(O)(CO)C1CCC(C)(O)C(C1)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H30O9/c1-15(22)4-3-8(16(2,23)7-18)5-10(15)25-14-13(21)12(20)11(19)9(6-17)24-14/h8-14,17-23H,3-7H2,1-2H3",HKSOQIVAOUMKMF,UHFFFAOYSA,N,"(1S,2S,4R,8S)-p-Menthane-1,2,8,9-tetrol 2-glucoside",HKSOQIVAOUMKMF-UHFFFAOYSA-N
HMDB39976,366.188982558,C16H30O9,CC(O)(COC1OC(CO)C(O)C(O)C1O)C1CCC(C)(O)C(O)C1,"InChI=1S/C16H30O9/c1-15(22)4-3-8(5-10(15)18)16(2,23)7-24-14-13(21)12(20)11(19)9(6-17)25-14/h8-14,17-23H,3-7H2,1-2H3",OUUOFMUQJUUKQQ,UHFFFAOYSA,N,"(1R*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol 9-glucoside",OUUOFMUQJUUKQQ-UHFFFAOYSA-N
HMDB39977,350.194067936,C16H30O8,CC1CCC(CC1OC1OC(CO)C(O)C(O)C1O)C(C)(O)CO,"InChI=1S/C16H30O8/c1-8-3-4-9(16(2,22)7-18)5-10(8)23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3",SNALOKSNSOHGKY,UHFFFAOYSA,N,"(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside",SNALOKSNSOHGKY-UHFFFAOYSA-N
HMDB39978,350.194067936,C16H30O8,CC1CCC(CC1O)C(C)(O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H30O8/c1-8-3-4-9(5-10(8)18)16(2,22)7-23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3",KRTKKVIKRTZKGY,UHFFFAOYSA,N,"(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside",KRTKKVIKRTZKGY-UHFFFAOYSA-N
HMDB39979,164.131348522,C10H16N2,CCC1=NC(C)=C(CC)N=C1C,"InChI=1S/C10H16N2/c1-5-9-7(3)12-10(6-2)8(4)11-9/h5-6H2,1-4H3",WOKWCTYNOKUPRA,UHFFFAOYSA,N,"2,5-Diethyl-3,6-dimethylpyrazine",WOKWCTYNOKUPRA-UHFFFAOYSA-N
HMDB39980,164.131348522,C10H16N2,CCC1=C(CC)N=C(C)C(C)=N1,"InChI=1S/C10H16N2/c1-5-9-10(6-2)12-8(4)7(3)11-9/h5-6H2,1-4H3",YAGSHZPMYHTMPZ,UHFFFAOYSA,N,"2,3-Diethyl-5,6-dimethylpyrazine",YAGSHZPMYHTMPZ-UHFFFAOYSA-N
HMDB39981,164.131348522,C10H16N2,CCC1=NC(CC)=C(C)N=C1C,"InChI=1S/C10H16N2/c1-5-9-7(3)11-8(4)10(6-2)12-9/h5-6H2,1-4H3",LQIGIQZSHAYEKN,UHFFFAOYSA,N,"2,6-Diethyl-3,5-dimethylpyrazine",LQIGIQZSHAYEKN-UHFFFAOYSA-N
HMDB39982,162.115698458,C10H14N2,CC1=NC(C)=C(CC=C)N=C1C,"InChI=1S/C10H14N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5H,1,6H2,2-4H3",ZFPORMYSWAHSAQ,UHFFFAOYSA,N,Trimethyl-2-propenylpyrazine,ZFPORMYSWAHSAQ-UHFFFAOYSA-N
HMDB39983,148.100048394,C9H12N2,CC1=NC(CC=C)=C(C)N=C1,"InChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4,6H,1,5H2,2-3H3",GHMVLFIPIFJTOS,UHFFFAOYSA,N,"2,5-Dimethyl-3-(2-propenyl)pyrazine",GHMVLFIPIFJTOS-UHFFFAOYSA-N
HMDB39984,148.100048394,C9H12N2,CC1=NC(C)=C(CC=C)N=C1,"InChI=1S/C9H12N2/c1-4-5-9-8(3)11-7(2)6-10-9/h4,6H,1,5H2,2-3H3",HZYLCLJYQDFDEA,UHFFFAOYSA,N,"3,5-Dimethyl-2-(2-propenyl)pyrazine",HZYLCLJYQDFDEA-UHFFFAOYSA-N
HMDB39985,148.100048394,C9H12N2,CC1=C(C)N=C(CC=C)C=N1,"InChI=1S/C9H12N2/c1-4-5-9-6-10-7(2)8(3)11-9/h4,6H,1,5H2,2-3H3",WBJYPKOZOKJWSD,UHFFFAOYSA,N,"2,3-Dimethyl-5-(2-propenyl)pyrazine",WBJYPKOZOKJWSD-UHFFFAOYSA-N
HMDB39986,148.100048394,C9H12N2,C\C=C\C1=C(C)N=CC(C)=N1,"InChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4-6H,1-3H3/b5-4+",UPGLIDCBHZSEJE,SNAWJCMRSA,N,"2,5-Dimethyl-3-(1-propenyl)pyrazine",UPGLIDCBHZSEJE-SNAWJCMRSA-N
HMDB39987,148.100048394,C9H12N2,C\C=C\C1=C(C)N=C(C)C=N1,"InChI=1S/C9H12N2/c1-4-5-9-8(3)11-7(2)6-10-9/h4-6H,1-3H3/b5-4+",NDDMVJXHROIJBV,SNAWJCMRSA,N,"3,5-Dimethyl-2-(1-propenyl)pyrazine",NDDMVJXHROIJBV-SNAWJCMRSA-N
HMDB39988,148.100048394,C9H12N2,C\C=C\C1=NC(C)=C(C)N=C1,"InChI=1S/C9H12N2/c1-4-5-9-6-10-7(2)8(3)11-9/h4-6H,1-3H3/b5-4+",BNYRAFHQRSHWGQ,SNAWJCMRSA,N,"2,3-Dimethyl-5-(1-propenyl)pyrazine",BNYRAFHQRSHWGQ-SNAWJCMRSA-N
HMDB39989,120.068748266,C7H8N2,CC1=C(C=C)N=CC=N1,"InChI=1S/C7H8N2/c1-3-7-6(2)8-4-5-9-7/h3-5H,1H2,2H3",QNTVHLKUWSRHIO,UHFFFAOYSA,N,2-Methyl-3-vinylpyrazine,QNTVHLKUWSRHIO-UHFFFAOYSA-N
HMDB39990,134.08439833,C8H10N2,C\C=C\C1=CN=CC(C)=N1,"InChI=1S/C8H10N2/c1-3-4-8-6-9-5-7(2)10-8/h3-6H,1-2H3/b4-3+",NOBVHXZAVPKZQU,ONEGZZNKSA,N,2-Methyl-6-(1-propenyl)pyrazine,NOBVHXZAVPKZQU-ONEGZZNKSA-N
HMDB39991,134.08439833,C8H10N2,C\C=C\C1=C(C)N=CC=N1,"InChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3-6H,1-2H3/b4-3+",ZCGRXTTWRNXLQZ,ONEGZZNKSA,N,2-Methyl-3-(1-propenyl)pyrazine,ZCGRXTTWRNXLQZ-ONEGZZNKSA-N
HMDB39992,134.08439833,C8H10N2,CC1=NC(CC=C)=CN=C1,"InChI=1S/C8H10N2/c1-3-4-8-6-9-5-7(2)10-8/h3,5-6H,1,4H2,2H3",QMVGUEIAPNPNMZ,UHFFFAOYSA,N,2-Methyl-6-(2-propenyl)pyrazine,QMVGUEIAPNPNMZ-UHFFFAOYSA-N
HMDB39993,134.08439833,C8H10N2,CC1=CN=C(CC=C)C=N1,"InChI=1S/C8H10N2/c1-3-4-8-6-9-7(2)5-10-8/h3,5-6H,1,4H2,2H3",JCZDTOUEQCNMKI,UHFFFAOYSA,N,2-Methyl-5-(2-propenyl)pyrazine,JCZDTOUEQCNMKI-UHFFFAOYSA-N
HMDB39994,134.08439833,C8H10N2,CC1=C(CC=C)N=CC=N1,"InChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3,5-6H,1,4H2,2H3",AQCVFCFCPBWGSY,UHFFFAOYSA,N,2-Methyl-3-(2-propenyl)pyrazine,AQCVFCFCPBWGSY-UHFFFAOYSA-N
HMDB39995,150.115698458,C9H14N2,CCCC1=C(C)N=C(C)C=N1,"InChI=1S/C9H14N2/c1-4-5-9-8(3)11-7(2)6-10-9/h6H,4-5H2,1-3H3",UTRAUCDSVCDVIW,UHFFFAOYSA,N,"3,5-Dimethyl-2-propylpyrazine",UTRAUCDSVCDVIW-UHFFFAOYSA-N
HMDB39996,150.115698458,C9H14N2,CCCC1=NC(C)=C(C)N=C1,"InChI=1S/C9H14N2/c1-4-5-9-6-10-7(2)8(3)11-9/h6H,4-5H2,1-3H3",RHCYSZMTNWMCOO,UHFFFAOYSA,N,"2,3-Dimethyl-5-propylpyrazine",RHCYSZMTNWMCOO-UHFFFAOYSA-N
HMDB39997,134.08439833,C8H10N2,C\C=C\C1=NC=C(C)N=C1,"InChI=1S/C8H10N2/c1-3-4-8-6-9-7(2)5-10-8/h3-6H,1-2H3/b4-3+",KFZIJPOISUVMAW,ONEGZZNKSA,N,2-Methyl-5-(1-propenyl)pyrazine,KFZIJPOISUVMAW-ONEGZZNKSA-N
HMDB39998,150.079312952,C8H10N2O,CC(=O)C1=C(C)N=CC(C)=N1,"InChI=1S/C8H10N2O/c1-5-4-9-6(2)8(10-5)7(3)11/h4H,1-3H3",JFUVDGXTDCVGHA,UHFFFAOYSA,N,"2-Acetyl-3,6-dimethylpyrazine",JFUVDGXTDCVGHA-UHFFFAOYSA-N
HMDB39999,150.079312952,C8H10N2O,CC(=O)C1=C(C)N=C(C)C=N1,"InChI=1S/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3",UCGOSAWBWFUKDT,UHFFFAOYSA,N,"2-Acetyl-3,5-dimethylpyrazine",UCGOSAWBWFUKDT-UHFFFAOYSA-N
HMDB40000,136.100048394,C8H12N2,CCCC1=NC=C(C)N=C1,"InChI=1S/C8H12N2/c1-3-4-8-6-9-7(2)5-10-8/h5-6H,3-4H2,1-2H3",DAOYAWODBHNYDA,UHFFFAOYSA,N,2-Methyl-5-propylpyrazine,DAOYAWODBHNYDA-UHFFFAOYSA-N
HMDB40001,164.131348522,C10H16N2,CCCC1=C(C)N=C(C)C(C)=N1,"InChI=1S/C10H16N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5-6H2,1-4H3",GEPYSCIASYXPCY,UHFFFAOYSA,N,Trimethylpropylpyrazine,GEPYSCIASYXPCY-UHFFFAOYSA-N
HMDB40002,154.008850126,C7H6O2S,CC(=O)C(=O)C1=CC=CS1,"InChI=1S/C7H6O2S/c1-5(8)7(9)6-3-2-4-10-6/h2-4H,1H3",FDYDDUUWFJQMQC,UHFFFAOYSA,N,"1-(2-Thienyl)-1,2-propanedione",FDYDDUUWFJQMQC-UHFFFAOYSA-N
HMDB40003,176.05071494,C7H12O3S,CCC(=O)OC(C)C(=O)SC,"InChI=1S/C7H12O3S/c1-4-6(8)10-5(2)7(9)11-3/h5H,4H2,1-3H3",VCLWCQBHEOFVMO,UHFFFAOYSA,N,Methylthio 2-(propanoyloxy)propanoate,VCLWCQBHEOFVMO-UHFFFAOYSA-N
HMDB40004,228.172544634,C13H24O3,CC(C)C1CCC(C)CC11OCC(O)CO1,"InChI=1S/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-7-11(14)8-16-13/h9-12,14H,4-8H2,1-3H3",GECFTYLLVUKXOY,UHFFFAOYSA,N,"Menthone 1,3-glyceryl ketal",GECFTYLLVUKXOY-UHFFFAOYSA-N
HMDB40005,224.13471934,C12H20N2S,CSCCCCC1=C(C)N=C(C)C(C)=N1,"InChI=1S/C12H20N2S/c1-9-10(2)14-12(11(3)13-9)7-5-6-8-15-4/h5-8H2,1-4H3",KGBPITFLJDEWLV,UHFFFAOYSA,N,"2,3,5-Trimethyl-6-[4-(methylthio)butyl]pyrazine",KGBPITFLJDEWLV-UHFFFAOYSA-N
HMDB40006,219.125928793,C13H17NO2,CC(=O)CCC(=O)C1=C(C)C=C2CCCN12,"InChI=1S/C13H17NO2/c1-9-8-11-4-3-7-14(11)13(9)12(16)6-5-10(2)15/h8H,3-7H2,1-2H3",NLJUZIDVCBWHAK,UHFFFAOYSA,N,"1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1,4-pentanedione",NLJUZIDVCBWHAK-UHFFFAOYSA-N
HMDB40007,201.115364107,C13H15NO,CC1=CC=C(O1)C1=C(C)C=C2CCCN12,"InChI=1S/C13H15NO/c1-9-8-11-4-3-7-14(11)13(9)12-6-5-10(2)15-12/h5-6,8H,3-4,7H2,1-2H3",LDTMEECXWUGWBZ,UHFFFAOYSA,N,"2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizine",LDTMEECXWUGWBZ-UHFFFAOYSA-N
HMDB40008,135.068413915,C8H9NO,O=CC1=CC=C2CCCN12,"InChI=1S/C8H9NO/c10-6-8-4-3-7-2-1-5-9(7)8/h3-4,6H,1-2,5H2",XDRGCZAFSAFSLR,UHFFFAOYSA,N,"2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde",XDRGCZAFSAFSLR-UHFFFAOYSA-N
HMDB40009,147.068413915,C9H9NO,C1C\C(=C\C2=CC=CO2)C=N1,"InChI=1S/C9H9NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-2,5-7H,3-4H2/b8-6-",UEGNEKZXKDRCHZ,VURMDHGXSA,N,"4-(2-Furanylmethylene)-3,4-dihydro-2H-pyrrole",UEGNEKZXKDRCHZ-VURMDHGXSA-N
HMDB40010,207.125928793,C12H17NO2,CC(O)C(=O)C1=C(C)C(C)=C2CCCN12,"InChI=1S/C12H17NO2/c1-7-8(2)11(12(15)9(3)14)13-6-4-5-10(7)13/h9,14H,4-6H2,1-3H3",ZCNNVEPQSPOCJM,UHFFFAOYSA,N,"1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-propanone",ZCNNVEPQSPOCJM-UHFFFAOYSA-N
HMDB40011,147.068413915,C9H9NO,C(C1=CC=CO1)C1=CNC=C1,"InChI=1S/C9H9NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-5,7,10H,6H2",JDTQSHKXSIWHGV,UHFFFAOYSA,N,3-(2-Furanylmethyl)-1H-pyrrole,JDTQSHKXSIWHGV-UHFFFAOYSA-N
HMDB40012,187.099714043,C12H13NO,CC1=CC=C(O1)C1=CC=C2CCCN12,"InChI=1S/C12H13NO/c1-9-4-7-12(14-9)11-6-5-10-3-2-8-13(10)11/h4-7H,2-3,8H2,1H3",SEBQZNHXPWYZSW,UHFFFAOYSA,N,"2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine",SEBQZNHXPWYZSW-UHFFFAOYSA-N
HMDB40013,135.068413915,C8H9NO,C1CN=C(C1)C1=CC=CO1,"InChI=1S/C8H9NO/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6H,1,3,5H2",RSWIYWDWUHQXIZ,UHFFFAOYSA,N,"5-(2-Furanyl)-3,4-dihydro-2H-pyrrole",RSWIYWDWUHQXIZ-UHFFFAOYSA-N
HMDB40014,177.115364107,C11H15NO,CCCC(=O)C1=CC=C2CCCN12,"InChI=1S/C11H15NO/c1-2-4-11(13)10-7-6-9-5-3-8-12(9)10/h6-7H,2-5,8H2,1H3",UDBBNHVKMDHCPL,UHFFFAOYSA,N,"1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone",UDBBNHVKMDHCPL-UHFFFAOYSA-N
HMDB40015,163.099714043,C10H13NO,CC1=CC=C(O1)C1=NCCCC1,"InChI=1S/C10H13NO/c1-8-5-6-10(12-8)9-4-2-3-7-11-9/h5-6H,2-4,7H2,1H3",WARIRIKWLUUAPJ,UHFFFAOYSA,N,"2,3,4,5-Tetrahydro-6-(5-methyl-2-furanyl)pyridine",WARIRIKWLUUAPJ-UHFFFAOYSA-N
HMDB40016,149.084063979,C9H11NO,C1CCC(=NC1)C1=CC=CO1,"InChI=1S/C9H11NO/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5,7H,1-2,4,6H2",RGIWMFASVSUDLJ,UHFFFAOYSA,N,"2-(2-Furanyl)-3,4,5,6-tetrahydropyridine",RGIWMFASVSUDLJ-UHFFFAOYSA-N
HMDB40017,177.115364107,C11H15NO,CCC(=O)C1=CC(C)=C2CCCN12,"InChI=1S/C11H15NO/c1-3-11(13)10-7-8(2)9-5-4-6-12(9)10/h7H,3-6H2,1-2H3",COEUIAKZDWIIQD,UHFFFAOYSA,N,"2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine",COEUIAKZDWIIQD-UHFFFAOYSA-N
HMDB40018,177.115364107,C11H15NO,CCC(=O)C1=C(C)C=C2CCCN12,"InChI=1S/C11H15NO/c1-3-10(13)11-8(2)7-9-5-4-6-12(9)11/h7H,3-6H2,1-2H3",GYZWTVCWHXRANZ,UHFFFAOYSA,N,"2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine",GYZWTVCWHXRANZ-UHFFFAOYSA-N
HMDB40019,177.115364107,C11H15NO,CCC1=CC(C(C)=O)=C2CCCN12,"InChI=1S/C11H15NO/c1-3-9-7-10(8(2)13)11-5-4-6-12(9)11/h7H,3-6H2,1-2H3",ZBWDGLUDPXAPPN,UHFFFAOYSA,N,"1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone",ZBWDGLUDPXAPPN-UHFFFAOYSA-N
HMDB40020,177.115364107,C11H15NO,CC(=O)C1=C(C)C(C)=C2CCCN12,"InChI=1S/C11H15NO/c1-7-8(2)11(9(3)13)12-6-4-5-10(7)12/h4-6H2,1-3H3",DFFVSJCTDBAPFY,UHFFFAOYSA,N,"5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine",DFFVSJCTDBAPFY-UHFFFAOYSA-N
HMDB40021,179.094628665,C10H13NO2,OCCC(=O)C1=CC=C2CCCN12,"InChI=1S/C10H13NO2/c12-7-5-10(13)9-4-3-8-2-1-6-11(8)9/h3-4,12H,1-2,5-7H2",DLLQYHQNPSDCSK,UHFFFAOYSA,N,"2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine",DLLQYHQNPSDCSK-UHFFFAOYSA-N
HMDB40022,163.099714043,C10H13NO,CCC(=O)C1=CC=C2CCCN12,"InChI=1S/C10H13NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h5-6H,2-4,7H2,1H3",WOCOJSXECLIQIX,UHFFFAOYSA,N,"2,3-Dihydro-5-propanoyl-1H-pyrrolizine",WOCOJSXECLIQIX-UHFFFAOYSA-N
HMDB40023,163.099714043,C10H13NO,CC(=O)C1=CC(C)=C2CCCN12,"InChI=1S/C10H13NO/c1-7-6-10(8(2)12)11-5-3-4-9(7)11/h6H,3-5H2,1-2H3",GEURXEPGCAPDNA,UHFFFAOYSA,N,"5-Acetyl-2,3-dihydro-7-methyl-1H-pyrrolizine",GEURXEPGCAPDNA-UHFFFAOYSA-N
HMDB40024,163.099714043,C10H13NO,CC(=O)C1=C(C)C=C2CCCN12,"InChI=1S/C10H13NO/c1-7-6-9-4-3-5-11(9)10(7)8(2)12/h6H,3-5H2,1-2H3",FEOYYZKCVVLICI,UHFFFAOYSA,N,"5-Acetyl-2,3-dihydro-6-methyl-1H-pyrrolizine",FEOYYZKCVVLICI-UHFFFAOYSA-N
HMDB40025,163.099714043,C10H13NO,CC(=O)C1=C2CCCN2C(C)=C1,"InChI=1S/C10H13NO/c1-7-6-9(8(2)12)10-4-3-5-11(7)10/h6H,3-5H2,1-2H3",DJAGDEJXGVMMGJ,UHFFFAOYSA,N,"1-(2,3-Dihydro-5-methyl-1H-pyrrolizin-7-yl)ethanone",DJAGDEJXGVMMGJ-UHFFFAOYSA-N
HMDB40026,163.099714043,C10H13NO,CC1=C(C)C(C=O)=C2CCCN12,"InChI=1S/C10H13NO/c1-7-8(2)11-5-3-4-10(11)9(7)6-12/h6H,3-5H2,1-2H3",MBJGXSSIUJRGNO,UHFFFAOYSA,N,"2,3-Dihydro-5,6-dimethyl-1H-pyrrolizine-7-carboxaldehyde",MBJGXSSIUJRGNO-UHFFFAOYSA-N
HMDB40027,177.115364107,C11H15NO,CC(=O)C1=C2CCCN2C(C)=C1C,"InChI=1S/C11H15NO/c1-7-8(2)12-6-4-5-10(12)11(7)9(3)13/h4-6H2,1-3H3",BJTRWJSVQKOMJY,UHFFFAOYSA,N,"1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone",BJTRWJSVQKOMJY-UHFFFAOYSA-N
HMDB40028,161.084063979,C10H11NO,C=CC(=O)C1=CC=C2CCCN12,"InChI=1S/C10H11NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h2,5-6H,1,3-4,7H2",WDGGKRGJJOBJCZ,UHFFFAOYSA,N,"1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-2-propen-1-one",WDGGKRGJJOBJCZ-UHFFFAOYSA-N
HMDB40029,149.084063979,C9H11NO,CC1=CC(C=O)=C2CCCN12,"InChI=1S/C9H11NO/c1-7-5-8(6-11)9-3-2-4-10(7)9/h5-6H,2-4H2,1H3",LNXCMFJNJNUFNW,UHFFFAOYSA,N,"2,3-Dihydro-5-methyl-1H-pyrrolizine-7-carboxaldehyde",LNXCMFJNJNUFNW-UHFFFAOYSA-N
HMDB40030,127.099714043,C7H13NO,CC(=O)CN1CCCC1,"InChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h2-6H2,1H3",YZZYFRBPGIXHPD,UHFFFAOYSA,N,1-(1-Pyrrolidinyl)-2-propanone,YZZYFRBPGIXHPD-UHFFFAOYSA-N
HMDB40031,191.076870111,C11H13NS,CCCCC1=NC2=CC=CC=C2S1,"InChI=1S/C11H13NS/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3",TUCSLJFYSQXGEV,UHFFFAOYSA,N,2-Butylbenzothiazole,TUCSLJFYSQXGEV-UHFFFAOYSA-N
HMDB40032,219.108170239,C13H17NS,CCCCCCC1=NC2=CC=CC=C2S1,"InChI=1S/C13H17NS/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h6-9H,2-5,10H2,1H3",XETMGEVGSLTKRW,UHFFFAOYSA,N,2-Hexylbenzothiazole,XETMGEVGSLTKRW-UHFFFAOYSA-N
HMDB40033,233.123820303,C14H19NS,CCCCCCCC1=NC2=CC=CC=C2S1,"InChI=1S/C14H19NS/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3",SJZWEHXSUIPACF,UHFFFAOYSA,N,2-Heptylbenzothiazole,SJZWEHXSUIPACF-UHFFFAOYSA-N
HMDB40034,163.045569983,C9H9NS,CCC1=NC2=CC=CC=C2S1,"InChI=1S/C9H9NS/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3",CVULGJIRGZVJHQ,UHFFFAOYSA,N,2-Ethylbenzothiazole,CVULGJIRGZVJHQ-UHFFFAOYSA-N
HMDB40035,155.076870111,C8H13NS,CCCCCC1=NC=CS1,"InChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3",QFYWDJHDOCZKRF,UHFFFAOYSA,N,2-Pentylthiazole,QFYWDJHDOCZKRF-UHFFFAOYSA-N
HMDB40036,113.029919919,C5H7NS,CCC1=NC=CS1,"InChI=1S/C5H7NS/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3",CGZDWVZMOMDGBN,UHFFFAOYSA,N,2-Ethylthiazole,CGZDWVZMOMDGBN-UHFFFAOYSA-N
HMDB40037,151.099714043,C9H13NO,C(N1CCCC1)C1=CC=CO1,"InChI=1S/C9H13NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h3-4,7H,1-2,5-6,8H2",OTCUCAGXTNHLEI,UHFFFAOYSA,N,1-Furfurylpyrrolidine,OTCUCAGXTNHLEI-UHFFFAOYSA-N
HMDB40038,181.110278729,C10H15NO2,OCC1=CC=C(CN2CCCC2)O1,"InChI=1S/C10H15NO2/c12-8-10-4-3-9(13-10)7-11-5-1-2-6-11/h3-4,12H,1-2,5-8H2",POLAFJCRVYXYDM,UHFFFAOYSA,N,5-(1-Pyrrolidinylmethyl)-2-furanmethanol,POLAFJCRVYXYDM-UHFFFAOYSA-N
HMDB40039,151.099714043,C9H13NO,C\C=C1\CCCN=C1C(C)=O,"InChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h3H,4-6H2,1-2H3/b8-3-",GAEQLABCUJPAHA,BAQGIRSFSA,N,"2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine",GAEQLABCUJPAHA-BAQGIRSFSA-N
HMDB40040,118.053098202,C7H6N2,C1C=CC2=C1N=CC=N2,"InChI=1S/C7H6N2/c1-2-6-7(3-1)9-5-4-8-6/h1-2,4-5H,3H2",RNVGIKWJGFOBOF,UHFFFAOYSA,N,5H-Cyclopentapyrazine,RNVGIKWJGFOBOF-UHFFFAOYSA-N
HMDB40041,121.089149357,C8H11N,CCC1=NC=C(C)C=C1,"InChI=1S/C8H11N/c1-3-8-5-4-7(2)6-9-8/h4-6H,3H2,1-2H3",COHDGTRFTKHYSJ,UHFFFAOYSA,N,2-Ethyl-5-methylpyridine,COHDGTRFTKHYSJ-UHFFFAOYSA-N
HMDB40042,161.084063979,C10H11NO,CC1=CC=C(CC2=CNC=C2)O1,"InChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-5,7,11H,6H2,1H3",WKJYTIFWOMZIGZ,UHFFFAOYSA,N,3-[(5-Methyl-2-furanyl)methyl]-1H-pyrrole,WKJYTIFWOMZIGZ-UHFFFAOYSA-N
HMDB40043,149.084063979,C9H11NO,C1C\C(CN1)=C\C1=CC=CO1,"InChI=1S/C9H11NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-2,5-6,10H,3-4,7H2/b8-6-",PNXWYJGINUMYJQ,VURMDHGXSA,N,3-(2-Furanylmethylene)pyrrolidine,PNXWYJGINUMYJQ-VURMDHGXSA-N
HMDB40044,151.099714043,C9H13NO,CC1=CC=C(O1)C1CCCN1,"InChI=1S/C9H13NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3",LGGXPKQFJZIICN,UHFFFAOYSA,N,2-(5-Methyl-2-furanyl)pyrrolidine,LGGXPKQFJZIICN-UHFFFAOYSA-N
HMDB40045,177.078978601,C10H11NO2,OCC1=CC=C(O1)\C=C1\CCN=C1,"InChI=1S/C10H11NO2/c12-7-10-2-1-9(13-10)5-8-3-4-11-6-8/h1-2,5-6,12H,3-4,7H2/b8-5-",JOWOWIZUAITHGQ,YVMONPNESA,N,5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol,JOWOWIZUAITHGQ-YVMONPNESA-N
HMDB40046,205.110278729,C12H15NO2,CC(=O)CCC(=O)C1=CC=C2CCCN12,"InChI=1S/C12H15NO2/c1-9(14)4-7-12(15)11-6-5-10-3-2-8-13(10)11/h5-6H,2-4,7-8H2,1H3",BDWPPPWPSZSWII,UHFFFAOYSA,N,"1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1,4-pentanedione",BDWPPPWPSZSWII-UHFFFAOYSA-N
HMDB40047,149.084063979,C9H11NO,CC1=C(C=O)N2CCCC2=C1,"InChI=1S/C9H11NO/c1-7-5-8-3-2-4-10(8)9(7)6-11/h5-6H,2-4H2,1H3",NWFQKPJYEJRQRI,UHFFFAOYSA,N,"2,3-Dihydro-6-methyl-1H-pyrrolizine-5-carboxaldehyde",NWFQKPJYEJRQRI-UHFFFAOYSA-N
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HMDB40049,165.115364107,C10H15NO,CC1=CC=C(CN2CCCC2)O1,"InChI=1S/C10H15NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3",IETSEKPJTAMXGM,UHFFFAOYSA,N,1-[(5-Methyl-2-furanyl)methyl]pyrrolidine,IETSEKPJTAMXGM-UHFFFAOYSA-N
HMDB40050,149.084063979,C9H11NO,CC1=CC=C(O1)C1=NCCC1,"InChI=1S/C9H11NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5H,2-3,6H2,1H3",FCHSRBDFHOMGQE,UHFFFAOYSA,N,"3,4-Dihydro-5-(5-methyl-2-furanyl)-2H-pyrrole",FCHSRBDFHOMGQE-UHFFFAOYSA-N
HMDB40051,149.084063979,C9H11NO,CC(=O)C1=CC=C2CCCN12,"InChI=1S/C9H11NO/c1-7(11)9-5-4-8-3-2-6-10(8)9/h4-5H,2-3,6H2,1H3",NWSCEJHRUVCUSX,UHFFFAOYSA,N,"5-Acetyl-2,3-dihydro-1H-pyrrolizine",NWSCEJHRUVCUSX-UHFFFAOYSA-N
HMDB40052,152.094963016,C8H12N2O,COC1=NC=C(N=C1)C(C)C,"InChI=1S/C8H12N2O/c1-6(2)7-4-10-8(11-3)5-9-7/h4-6H,1-3H3",GSVQZEKWEURMLP,UHFFFAOYSA,N,2-Isopropyl-5-methoxypyrazine,GSVQZEKWEURMLP-UHFFFAOYSA-N
HMDB40053,152.094963016,C8H12N2O,COC1=CN=CC(=N1)C(C)C,"InChI=1S/C8H12N2O/c1-6(2)7-4-9-5-8(10-7)11-3/h4-6H,1-3H3",QFGMXPJWRJAIMB,UHFFFAOYSA,N,2-Isopropyl-6-methoxypyrazine,QFGMXPJWRJAIMB-UHFFFAOYSA-N
HMDB40054,138.079312952,C7H10N2O,CCC1=C(OC)N=CC=N1,"InChI=1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3",DPCILIMHENXHQX,UHFFFAOYSA,N,3-Ethyl-2-methoxypyrazine,DPCILIMHENXHQX-UHFFFAOYSA-N
HMDB40055,214.066365004,C10H14O3S,CCOC(=O)CCSCC1=CC=CO1,"InChI=1S/C10H14O3S/c1-2-12-10(11)5-7-14-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3",ZKCVVCLCYIXCOD,UHFFFAOYSA,N,Ethyl 3-[(2-furanylmethyl)thio]propanoate,ZKCVVCLCYIXCOD-UHFFFAOYSA-N
HMDB40056,150.053691828,C6H14S2,CCCSC(S)CC,"InChI=1S/C6H14S2/c1-3-5-8-6(7)4-2/h6-7H,3-5H2,1-2H3",STQMMGQDGYHHII,UHFFFAOYSA,N,xi-1-(Propylthio)-1-propanethiol,STQMMGQDGYHHII-UHFFFAOYSA-N
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HMDB40059,137.084063979,C8H11NO,C1CNC(C1)C1=CC=CO1,"InChI=1S/C8H11NO/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2",LIFJPSLQRGQNMM,UHFFFAOYSA,N,(±)-2-(2-Furanyl)pyrrolidine,LIFJPSLQRGQNMM-UHFFFAOYSA-N
HMDB40060,140.040818956,C6H8N2S,CSC1=NC=C(C)N=C1,"InChI=1S/C6H8N2S/c1-5-3-8-6(9-2)4-7-5/h3-4H,1-2H3",DNBQBSWEJGAAIY,UHFFFAOYSA,N,2-Methyl-5-(methylthio)pyrazine,DNBQBSWEJGAAIY-UHFFFAOYSA-N
HMDB40061,140.040818956,C6H8N2S,CSC1=CN=CC(C)=N1,"InChI=1S/C6H8N2S/c1-5-3-7-4-6(8-5)9-2/h3-4H,1-2H3",UWZQTYQYHJLIRS,UHFFFAOYSA,N,2-Methyl-6-(methylthio)pyrazine,UWZQTYQYHJLIRS-UHFFFAOYSA-N
HMDB40062,127.045569983,C6H9NS,CCC1=C(C)SC=N1,"InChI=1S/C6H9NS/c1-3-6-5(2)8-4-7-6/h4H,3H2,1-2H3",QCIOXFPPEGZRFY,UHFFFAOYSA,N,4-Ethyl-5-methylthiazole,QCIOXFPPEGZRFY-UHFFFAOYSA-N
HMDB40063,155.076870111,C8H13NS,CCCCC1=C(C)SC=N1,"InChI=1S/C8H13NS/c1-3-4-5-8-7(2)10-6-9-8/h6H,3-5H2,1-2H3",FOBITDGBIATDTQ,UHFFFAOYSA,N,4-Butyl-5-methylthiazole,FOBITDGBIATDTQ-UHFFFAOYSA-N
HMDB40064,155.076870111,C8H13NS,CCCC1=C(CC)N=CS1,"InChI=1S/C8H13NS/c1-3-5-8-7(4-2)9-6-10-8/h6H,3-5H2,1-2H3",RXMRQNDYNJNUQS,UHFFFAOYSA,N,4-Ethyl-5-propylthiazole,RXMRQNDYNJNUQS-UHFFFAOYSA-N
HMDB40065,169.092520175,C9H15NS,CCCCC1=C(CC)SC=N1,"InChI=1S/C9H15NS/c1-3-5-6-8-9(4-2)11-7-10-8/h7H,3-6H2,1-2H3",VBXZROKMYYWPEZ,UHFFFAOYSA,N,4-Butyl-5-ethylthiazole,VBXZROKMYYWPEZ-UHFFFAOYSA-N
HMDB40066,169.092520175,C9H15NS,CCCCC1=C(CC)N=CS1,"InChI=1S/C9H15NS/c1-3-5-6-9-8(4-2)10-7-11-9/h7H,3-6H2,1-2H3",KVROJLRQGAGSOL,UHFFFAOYSA,N,5-Butyl-4-ethylthiazole,KVROJLRQGAGSOL-UHFFFAOYSA-N
HMDB40067,183.108170239,C10H17NS,CCCCC1=C(CCC)SC=N1,"InChI=1S/C10H17NS/c1-3-5-7-9-10(6-4-2)12-8-11-9/h8H,3-7H2,1-2H3",AHPGPUJQEGRVBS,UHFFFAOYSA,N,4-Butyl-5-propylthiazole,AHPGPUJQEGRVBS-UHFFFAOYSA-N
HMDB40068,141.061220047,C7H11NS,CCC1=NC(C)=C(C)S1,"InChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3",BVOKJOZBJOWZNJ,UHFFFAOYSA,N,"2-Ethyl-4,5-dimethylthiazole",BVOKJOZBJOWZNJ-UHFFFAOYSA-N
HMDB40069,141.061220047,C7H11NS,CCC1=C(C)SC(C)=N1,"InChI=1S/C7H11NS/c1-4-7-5(2)9-6(3)8-7/h4H2,1-3H3",ZJGXJKFDKNNBTK,UHFFFAOYSA,N,"4-Ethyl-2,5-dimethylthiazole",ZJGXJKFDKNNBTK-UHFFFAOYSA-N
HMDB40070,141.061220047,C7H11NS,CCC1=C(C)N=C(C)S1,"InChI=1S/C7H11NS/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3",DALUCNUGMDNXET,UHFFFAOYSA,N,"5-Ethyl-2,4-dimethylthiazole",DALUCNUGMDNXET-UHFFFAOYSA-N
HMDB40071,155.076870111,C8H13NS,CCCC1=C(C)N=C(C)S1,"InChI=1S/C8H13NS/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3",BNONKJGVAXAEFW,UHFFFAOYSA,N,"2,4-Dimethyl-5-propylthiazole",BNONKJGVAXAEFW-UHFFFAOYSA-N
HMDB40072,155.076870111,C8H13NS,CCCC1=C(C)SC(C)=N1,"InChI=1S/C8H13NS/c1-4-5-8-6(2)10-7(3)9-8/h4-5H2,1-3H3",VIWROTZGLFXXMS,UHFFFAOYSA,N,"2,5-Dimethyl-4-propylthiazole",VIWROTZGLFXXMS-UHFFFAOYSA-N
HMDB40073,155.076870111,C8H13NS,CCCC1=NC(C)=C(C)S1,"InChI=1S/C8H13NS/c1-4-5-8-9-6(2)7(3)10-8/h4-5H2,1-3H3",VCGGTZJUUXVOOJ,UHFFFAOYSA,N,"4,5-Dimethyl-2-propylthiazole",VCGGTZJUUXVOOJ-UHFFFAOYSA-N
HMDB40074,155.076870111,C8H13NS,CC(C)C1=NC(C)=C(C)S1,"InChI=1S/C8H13NS/c1-5(2)8-9-6(3)7(4)10-8/h5H,1-4H3",GDYKEHYOOVICQZ,UHFFFAOYSA,N,"4,5-Dimethyl-2-(1-methylethyl)thiazole",GDYKEHYOOVICQZ-UHFFFAOYSA-N
HMDB40075,155.076870111,C8H13NS,CCC1=NC(C)=C(CC)S1,"InChI=1S/C8H13NS/c1-4-7-6(3)9-8(5-2)10-7/h4-5H2,1-3H3",AEVBKBWVXISVBJ,UHFFFAOYSA,N,"2,5-Diethyl-4-methylthiazole",AEVBKBWVXISVBJ-UHFFFAOYSA-N
HMDB40076,169.092520175,C9H15NS,CCCCC1=C(C)SC(C)=N1,"InChI=1S/C9H15NS/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H2,1-3H3",RNDHWFULLIRXAI,UHFFFAOYSA,N,"4-Butyl-2,5-dimethylthiazole",RNDHWFULLIRXAI-UHFFFAOYSA-N
HMDB40077,169.092520175,C9H15NS,CCCC1=C(CC)N=C(C)S1,"InChI=1S/C9H15NS/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3",JDGOETBULMDHIE,UHFFFAOYSA,N,4-Ethyl-2-methyl-5-propylthiazole,JDGOETBULMDHIE-UHFFFAOYSA-N
HMDB40078,169.092520175,C9H15NS,CCCC1=C(CC)SC(C)=N1,"InChI=1S/C9H15NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4-6H2,1-3H3",YTFYPHBAFRPICF,UHFFFAOYSA,N,5-Ethyl-2-methyl-4-propylthiazole,YTFYPHBAFRPICF-UHFFFAOYSA-N
HMDB40079,169.092520175,C9H15NS,CCCC1=NC(CC)=C(C)S1,"InChI=1S/C9H15NS/c1-4-6-9-10-8(5-2)7(3)11-9/h4-6H2,1-3H3",QHXZAOWOVRYQIR,UHFFFAOYSA,N,4-Ethyl-5-methyl-2-propylthiazole,QHXZAOWOVRYQIR-UHFFFAOYSA-N
HMDB40080,169.092520175,C9H15NS,CCCC1=NC(C)=C(CC)S1,"InChI=1S/C9H15NS/c1-4-6-9-10-7(3)8(5-2)11-9/h4-6H2,1-3H3",UFXPDSABYOPQLE,UHFFFAOYSA,N,5-Ethyl-4-methyl-2-propylthiazole,UFXPDSABYOPQLE-UHFFFAOYSA-N
HMDB40081,169.092520175,C9H15NS,CCC1=C(C)SC(=N1)C(C)C,"InChI=1S/C9H15NS/c1-5-8-7(4)11-9(10-8)6(2)3/h6H,5H2,1-4H3",CMIKRIOXEPLAGU,UHFFFAOYSA,N,4-Ethyl-5-methyl-2-(1-methylethyl)thiazole,CMIKRIOXEPLAGU-UHFFFAOYSA-N
HMDB40082,169.092520175,C9H15NS,CCC1=C(C)N=C(S1)C(C)C,"InChI=1S/C9H15NS/c1-5-8-7(4)10-9(11-8)6(2)3/h6H,5H2,1-4H3",AYEGWZGUAQDVNB,UHFFFAOYSA,N,5-Ethyl-4-methyl-2-(1-methylethyl)thiazole,AYEGWZGUAQDVNB-UHFFFAOYSA-N
HMDB40083,183.108170239,C10H17NS,CCCCCC1=C(C)N=C(C)S1,"InChI=1S/C10H17NS/c1-4-5-6-7-10-8(2)11-9(3)12-10/h4-7H2,1-3H3",ZJMMSQRLEOPYKC,UHFFFAOYSA,N,"2,4-Dimethyl-5-pentylthiazole",ZJMMSQRLEOPYKC-UHFFFAOYSA-N
HMDB40084,183.108170239,C10H17NS,CCCCCC1=NC(C)=C(C)S1,"InChI=1S/C10H17NS/c1-4-5-6-7-10-11-8(2)9(3)12-10/h4-7H2,1-3H3",VKEZOMGNMKPHCY,UHFFFAOYSA,N,"4,5-Dimethyl-2-pentylthiazole",VKEZOMGNMKPHCY-UHFFFAOYSA-N
HMDB40085,183.108170239,C10H17NS,CCCC1=NC(C)=C(CCC)S1,"InChI=1S/C10H17NS/c1-4-6-9-8(3)11-10(12-9)7-5-2/h4-7H2,1-3H3",VAEQRSTWJQPJLA,UHFFFAOYSA,N,"2,5-Dipropyl-4-methylthiazole",VAEQRSTWJQPJLA-UHFFFAOYSA-N
HMDB40086,183.108170239,C10H17NS,CCCCC1=NC(C)=C(CC)S1,"InChI=1S/C10H17NS/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3",DLQAOPSTXFKJFN,UHFFFAOYSA,N,2-Butyl-5-ethyl-4-methylthiazole,DLQAOPSTXFKJFN-UHFFFAOYSA-N
HMDB40087,183.108170239,C10H17NS,CCCCC1=C(C)SC(CC)=N1,"InChI=1S/C10H17NS/c1-4-6-7-9-8(3)12-10(5-2)11-9/h4-7H2,1-3H3",MMIJPCYXLZBTSY,UHFFFAOYSA,N,4-Butyl-2-ethyl-5-methylthiazole,MMIJPCYXLZBTSY-UHFFFAOYSA-N
HMDB40088,183.108170239,C10H17NS,CCCC1=C(CC)N=C(CC)S1,"InChI=1S/C10H17NS/c1-4-7-9-8(5-2)11-10(6-3)12-9/h4-7H2,1-3H3",PLNOQQXXGQYCKQ,UHFFFAOYSA,N,"2,4-Diethyl-5-propylthiazole",PLNOQQXXGQYCKQ-UHFFFAOYSA-N
HMDB40089,183.108170239,C10H17NS,CCCC1=C(CC)SC(CC)=N1,"InChI=1S/C10H17NS/c1-4-7-8-9(5-2)12-10(6-3)11-8/h4-7H2,1-3H3",CNHZSCGZZKCROX,UHFFFAOYSA,N,"2,5-Diethyl-4-propylthiazole",CNHZSCGZZKCROX-UHFFFAOYSA-N
HMDB40090,197.123820303,C11H19NS,CCCCCC1=NC(C)=C(CC)S1,"InChI=1S/C11H19NS/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3",YHXYVNQEOGPEKA,UHFFFAOYSA,N,5-Ethyl-4-methyl-2-pentylthiazole,YHXYVNQEOGPEKA-UHFFFAOYSA-N
HMDB40091,197.123820303,C11H19NS,CCCCCCC1=NC(C)=C(C)S1,"InChI=1S/C11H19NS/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3",KVNSTYMROSOFEA,UHFFFAOYSA,N,"2-Hexyl-4,5-dimethylthiazole",KVNSTYMROSOFEA-UHFFFAOYSA-N
HMDB40092,211.139470367,C12H21NS,CCCCCCCC1=NC(C)=C(C)S1,"InChI=1S/C12H21NS/c1-4-5-6-7-8-9-12-13-10(2)11(3)14-12/h4-9H2,1-3H3",PSZGSWWQPRJONL,UHFFFAOYSA,N,"2-Heptyl-4,5-dimethylthiazole",PSZGSWWQPRJONL-UHFFFAOYSA-N
HMDB40093,225.155120431,C13H23NS,CCCCCCCCC1=NC(C)=C(C)S1,"InChI=1S/C13H23NS/c1-4-5-6-7-8-9-10-13-14-11(2)12(3)15-13/h4-10H2,1-3H3",HGRFDZGIRVFJRV,UHFFFAOYSA,N,"4,5-Dimethyl-2-octylthiazole",HGRFDZGIRVFJRV-UHFFFAOYSA-N
HMDB40094,225.155120431,C13H23NS,CCCCCCCC1=NC(CC)=C(C)S1,"InChI=1S/C13H23NS/c1-4-6-7-8-9-10-13-14-12(5-2)11(3)15-13/h4-10H2,1-3H3",SSLICXPSYONSAZ,UHFFFAOYSA,N,4-Ethyl-2-heptyl-5-methylthiazole,SSLICXPSYONSAZ-UHFFFAOYSA-N
HMDB40095,239.170770495,C14H25NS,CCCCCCCCC1=NC(C)=C(CC)S1,"InChI=1S/C14H25NS/c1-4-6-7-8-9-10-11-14-15-12(3)13(5-2)16-14/h4-11H2,1-3H3",KABDBXXFTIHONZ,UHFFFAOYSA,N,5-Ethyl-4-methyl-2-octylthiazole,KABDBXXFTIHONZ-UHFFFAOYSA-N
HMDB40096,127.045569983,C6H9NS,CCC1=CN=C(C)S1,"InChI=1S/C6H9NS/c1-3-6-4-7-5(2)8-6/h4H,3H2,1-2H3",JIZHATVFRZONHT,UHFFFAOYSA,N,5-Ethyl-2-methylthiazole,JIZHATVFRZONHT-UHFFFAOYSA-N
HMDB40097,141.061220047,C7H11NS,CCC1=CN=C(CC)S1,"InChI=1S/C7H11NS/c1-3-6-5-8-7(4-2)9-6/h5H,3-4H2,1-2H3",PATFUZGQWONVOC,UHFFFAOYSA,N,"2,5-Diethylthiazole",PATFUZGQWONVOC-UHFFFAOYSA-N
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HMDB40099,169.092520175,C9H15NS,CCCCCC1=NC=C(C)S1,"InChI=1S/C9H15NS/c1-3-4-5-6-9-10-7-8(2)11-9/h7H,3-6H2,1-2H3",NEZJGDWWXKETPZ,UHFFFAOYSA,N,5-Methyl-2-pentylthiazole,NEZJGDWWXKETPZ-UHFFFAOYSA-N
HMDB40100,141.061220047,C7H11NS,CC(C)C1=CSC(C)=N1,"InChI=1S/C7H11NS/c1-5(2)7-4-9-6(3)8-7/h4-5H,1-3H3",SRTOJEUVLKLAGK,UHFFFAOYSA,N,2-Methyl-4-(1-methylethyl)thiazole,SRTOJEUVLKLAGK-UHFFFAOYSA-N
HMDB40101,141.061220047,C7H11NS,CCC1=NC(CC)=CS1,"InChI=1S/C7H11NS/c1-3-6-5-9-7(4-2)8-6/h5H,3-4H2,1-2H3",IAEOVWDULPWPSJ,UHFFFAOYSA,N,"2,4-Diethylthiazole",IAEOVWDULPWPSJ-UHFFFAOYSA-N
HMDB40102,155.076870111,C8H13NS,CCCCC1=NC(C)=CS1,"InChI=1S/C8H13NS/c1-3-4-5-8-9-7(2)6-10-8/h6H,3-5H2,1-2H3",HVRMJTCTZVGJDO,UHFFFAOYSA,N,2-Butyl-4-methylthiazole,HVRMJTCTZVGJDO-UHFFFAOYSA-N
HMDB40103,155.076870111,C8H13NS,CCCCC1=CSC(C)=N1,"InChI=1S/C8H13NS/c1-3-4-5-8-6-10-7(2)9-8/h6H,3-5H2,1-2H3",FKIYIWVSAZOGLP,UHFFFAOYSA,N,4-Butyl-2-methylthiazole,FKIYIWVSAZOGLP-UHFFFAOYSA-N
HMDB40104,155.076870111,C8H13NS,CCCC1=CSC(CC)=N1,"InChI=1S/C8H13NS/c1-3-5-7-6-10-8(4-2)9-7/h6H,3-5H2,1-2H3",DDNSNWZYKNNLRJ,UHFFFAOYSA,N,2-Ethyl-4-propylthiazole,DDNSNWZYKNNLRJ-UHFFFAOYSA-N
HMDB40105,155.076870111,C8H13NS,CCCC1=NC(CC)=CS1,"InChI=1S/C8H13NS/c1-3-5-8-9-7(4-2)6-10-8/h6H,3-5H2,1-2H3",PMIYYESQWZHQKJ,UHFFFAOYSA,N,4-Ethyl-2-propylthiazole,PMIYYESQWZHQKJ-UHFFFAOYSA-N
HMDB40106,169.092520175,C9H15NS,CCCCCC1=NC(C)=CS1,"InChI=1S/C9H15NS/c1-3-4-5-6-9-10-8(2)7-11-9/h7H,3-6H2,1-2H3",FLCKZQLXJGGADB,UHFFFAOYSA,N,4-Methyl-2-pentylthiazole,FLCKZQLXJGGADB-UHFFFAOYSA-N
HMDB40107,169.092520175,C9H15NS,CCCC1=NC(CCC)=CS1,"InChI=1S/C9H15NS/c1-3-5-8-7-11-9(10-8)6-4-2/h7H,3-6H2,1-2H3",WPDYXNPBUUNZHA,UHFFFAOYSA,N,"2,4-Dipropylthiazole",WPDYXNPBUUNZHA-UHFFFAOYSA-N
HMDB40108,169.092520175,C9H15NS,CCCC1=CSC(=N1)C(C)C,"InChI=1S/C9H15NS/c1-4-5-8-6-11-9(10-8)7(2)3/h6-7H,4-5H2,1-3H3",RQVTUZSNNLPWLJ,UHFFFAOYSA,N,2-(1-Methylethyl)-4-propylthiazole,RQVTUZSNNLPWLJ-UHFFFAOYSA-N
HMDB40109,183.108170239,C10H17NS,CCCCCC1=NC(CC)=CS1,"InChI=1S/C10H17NS/c1-3-5-6-7-10-11-9(4-2)8-12-10/h8H,3-7H2,1-2H3",ZHOPDZKIOONDFF,UHFFFAOYSA,N,4-Ethyl-2-pentylthiazole,ZHOPDZKIOONDFF-UHFFFAOYSA-N
HMDB40110,183.108170239,C10H17NS,CCCCC1=NC(CCC)=CS1,"InChI=1S/C10H17NS/c1-3-5-7-10-11-9(6-4-2)8-12-10/h8H,3-7H2,1-2H3",GWOBPIKTIDWALS,UHFFFAOYSA,N,2-Butyl-4-propylthiazole,GWOBPIKTIDWALS-UHFFFAOYSA-N
HMDB40111,197.123820303,C11H19NS,CCCCCCC1=NC(CC)=CS1,"InChI=1S/C11H19NS/c1-3-5-6-7-8-11-12-10(4-2)9-13-11/h9H,3-8H2,1-2H3",GEAVQUKRDITJTP,UHFFFAOYSA,N,4-Ethyl-2-hexylthiazole,GEAVQUKRDITJTP-UHFFFAOYSA-N
HMDB40112,197.123820303,C11H19NS,CCCCCC1=NC(CCC)=CS1,"InChI=1S/C11H19NS/c1-3-5-6-8-11-12-10(7-4-2)9-13-11/h9H,3-8H2,1-2H3",HZWDDRTWBCHNGJ,UHFFFAOYSA,N,2-Pentyl-4-propylthiazole,HZWDDRTWBCHNGJ-UHFFFAOYSA-N
HMDB40113,211.139470367,C12H21NS,CCCCCCCC1=NC(CC)=CS1,"InChI=1S/C12H21NS/c1-3-5-6-7-8-9-12-13-11(4-2)10-14-12/h10H,3-9H2,1-2H3",JZJXNTRMKYXHRJ,UHFFFAOYSA,N,4-Ethyl-2-heptylthiazole,JZJXNTRMKYXHRJ-UHFFFAOYSA-N
HMDB40114,239.170770495,C14H25NS,CCCCCCCCC1=NC(CCC)=CS1,"InChI=1S/C14H25NS/c1-3-5-6-7-8-9-11-14-15-13(10-4-2)12-16-14/h12H,3-11H2,1-2H3",CPGDWBVMCYVDOC,UHFFFAOYSA,N,2-Octyl-4-propylthiazole,CPGDWBVMCYVDOC-UHFFFAOYSA-N
HMDB40115,225.155120431,C13H23NS,CCCCCCCCC1=NC(CC)=CS1,"InChI=1S/C13H23NS/c1-3-5-6-7-8-9-10-13-14-12(4-2)11-15-13/h11H,3-10H2,1-2H3",ZUKSKAIZUYAFJE,UHFFFAOYSA,N,4-Ethyl-2-octylthiazole,ZUKSKAIZUYAFJE-UHFFFAOYSA-N
HMDB40116,145.092520175,C7H15NS,CCCCC1NCCS1,"InChI=1S/C7H15NS/c1-2-3-4-7-8-5-6-9-7/h7-8H,2-6H2,1H3",BOOIWYNDUXYILL,UHFFFAOYSA,N,(±)-2-Butylthiazolidine,BOOIWYNDUXYILL-UHFFFAOYSA-N
HMDB40117,145.092520175,C7H15NS,CC(C)CC1NCCS1,"InChI=1S/C7H15NS/c1-6(2)5-7-8-3-4-9-7/h6-8H,3-5H2,1-2H3",OLVZVPBWPSBRNF,UHFFFAOYSA,N,(±)-2-(2-Methylpropyl)thiazolidine,OLVZVPBWPSBRNF-UHFFFAOYSA-N
HMDB40118,442.323565966,C32H42O,CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=O,"InChI=1S/C32H42O/c1-27(2)15-10-18-30(5)21-13-23-31(6)22-11-19-28(3)16-8-9-17-29(4)20-12-24-32(7)25-14-26-33/h8-9,11-17,19-26H,10,18H2,1-7H3/b9-8+,19-11+,20-12+,23-13+,25-14+,28-16+,29-17+,30-21+,31-22+,32-24+",ZXEPHOYZDSLBJV,CQOAVJQGSA,N,(all-E)-6'-Apo-y-caroten-6'-al,ZXEPHOYZDSLBJV-CQOAVJQGSA-N
HMDB40119,264.136159128,C15H20O4,CC1=CC2=C(C=C1O)C1(C)C(O)CC(O)(O2)C1(C)C,"InChI=1S/C15H20O4/c1-8-5-11-9(6-10(8)16)14(4)12(17)7-15(18,19-11)13(14,2)3/h5-6,12,16-18H,7H2,1-4H3",DHKFEYFQGRWJNR,UHFFFAOYSA,N,Enokipodin C,DHKFEYFQGRWJNR-UHFFFAOYSA-N
HMDB40120,958.513730314,C48H78O19,CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4=C4CCC6C7(C)CC(O)C(O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O,"InChI=1S/C48H78O19/c1-21-29(52)31(54)34(57)40(63-21)66-37-25(18-49)64-39(36(59)33(37)56)62-19-26-30(53)32(55)35(58)41(65-26)67-42(61)48-14-12-43(2,3)16-23(48)22-8-9-28-44(4)17-24(51)38(60)45(5,20-50)27(44)10-11-47(28,7)46(22,6)13-15-48/h21,24-41,49-60H,8-20H2,1-7H3",UKZNRIQOGQPWHP,UHFFFAOYSA,N,Centellasaponin A,UKZNRIQOGQPWHP-UHFFFAOYSA-N
HMDB40121,398.15768243,C19H26O9,COC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C(CC=C(C)C)=C1,"InChI=1S/C19H26O9/c1-9(2)4-5-10-6-11(18(25)26-3)7-12(14(10)21)27-19-17(24)16(23)15(22)13(8-20)28-19/h4,6-7,13,15-17,19-24H,5,8H2,1-3H3",OZKMIACEGRRXQA,UHFFFAOYSA,N,"Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside",OZKMIACEGRRXQA-UHFFFAOYSA-N
HMDB40122,974.508644936,C48H78O20,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3",BNMGUJRJUUDLHW,UHFFFAOYSA,N,Madecassoside,BNMGUJRJUUDLHW-UHFFFAOYSA-N
HMDB40123,828.450736128,C42H68O16,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C42H68O16/c1-18-9-10-42(37(54)58-36-32(52)30(50)28(48)24(57-36)16-55-35-31(51)29(49)27(47)23(15-43)56-35)12-11-40(5)20(26(42)19(18)2)7-8-25-38(3)13-22(46)34(53)39(4,17-44)33(38)21(45)14-41(25,40)6/h7,18-19,21-36,43-53H,8-17H2,1-6H3",JSQCMNXZFPMWES,UHFFFAOYSA,N,Centellasaponin B,JSQCMNXZFPMWES-UHFFFAOYSA-N
HMDB40124,120.068748266,C7H8N2,C\C=C\C1=CN=CC=N1,"InChI=1S/C7H8N2/c1-2-3-7-6-8-4-5-9-7/h2-6H,1H3/b3-2+",ZBHYPERRXYKXGT,NSCUHMNNSA,N,1-Propenylpyrazine,ZBHYPERRXYKXGT-NSCUHMNNSA-N
HMDB40125,612.169034976,C27H32O16,OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H32O16/c28-7-15-18(32)21(35)23(37)26(41-15)40-14-6-13-17(11(31)5-12(39-13)9-1-3-10(30)4-2-9)20(34)25(14)43-27-24(38)22(36)19(33)16(8-29)42-27/h1-4,6,12,15-16,18-19,21-24,26-30,32-38H,5,7-8H2",YIVXUBJSZSRYMU,UHFFFAOYSA,N,"Carthamidin 6,7-diglucoside",YIVXUBJSZSRYMU-UHFFFAOYSA-N
HMDB40126,566.163555668,C26H30O14,OCC1OC(OC2=CC3=C(C=C(O3)C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O,"InChI=1S/C26H30O14/c27-8-17-19(30)21(32)23(34)25(39-17)36-13-2-1-10-5-15(38-16(10)7-13)11-3-12(29)6-14(4-11)37-26-24(35)22(33)20(31)18(9-28)40-26/h1-7,17-35H,8-9H2",YPMOTUXWPXDQDJ,UHFFFAOYSA,N,Mulberroside F,YPMOTUXWPXDQDJ-UHFFFAOYSA-N
HMDB40127,842.257456052,C48H42O14,OCC1OC(OC2=CC(C3C(OC4=C3C(\C=C\C3=CC=C(O)C=C3)=CC(O)=C4)C3=CC=C(O)C=C3)=C3C(C(OC3=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C(O)C(O)C1O,"InChI=1S/C48H42O14/c49-22-38-43(56)44(57)45(58)48(62-38)59-34-20-35(41-37(21-34)61-46(24-5-11-29(51)12-6-24)40(41)27-16-31(53)18-32(54)17-27)42-39-26(4-1-23-2-9-28(50)10-3-23)15-33(55)19-36(39)60-47(42)25-7-13-30(52)14-8-25/h1-21,38,40,42-58H,22H2/b4-1+",LIMXEMROHIJDBW,DAFODLJHSA,N,Foeniculoside II,LIMXEMROHIJDBW-DAFODLJHSA-N
HMDB40128,1166.363102912,C60H62O24,OCC1OC(OC2=CC(C3C(OC4=C3C(\C=C\C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C4)C3=CC=C(O)C=C3)=C3C(C(OC3=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O,"InChI=1S/C60H62O24/c61-22-40-47(68)50(71)53(74)58(82-40)77-34-17-29(15-33(67)18-34)44-45-37(19-36(79-60-55(76)52(73)49(70)42(24-63)84-60)21-39(45)81-56(44)26-5-11-31(65)12-6-26)46-43-28(4-1-25-2-9-30(64)10-3-25)16-35(78-59-54(75)51(72)48(69)41(23-62)83-59)20-38(43)80-57(46)27-7-13-32(66)14-8-27/h1-21,40-42,44,46-76H,22-24H2/b4-1+",OERCOQRGXRNZRU,DAFODLJHSA,N,Foeniculoside IV,OERCOQRGXRNZRU-DAFODLJHSA-N
HMDB40129,460.136946988,C23H24O10,COC1=CC=CC=C1C1=COC2=CC(OC3OC(C)C(O)C(O)C3O)=C(OC)C(O)=C2C1=O,"InChI=1S/C23H24O10/c1-10-17(24)20(27)21(28)23(32-10)33-15-8-14-16(19(26)22(15)30-3)18(25)12(9-31-14)11-6-4-5-7-13(11)29-2/h4-10,17,20-21,23-24,26-28H,1-3H3",WNIHYNZJOPCHOA,UHFFFAOYSA,N,"5,7-Dihydroxy-2',6-dimethoxyisoflavone 7-rhamnoside",WNIHYNZJOPCHOA-UHFFFAOYSA-N
HMDB40130,1188.484480374,C56H84O23S2,CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(CC=C)C(O)=O,"InChI=1S/C56H84O23S2/c1-9-11-30(51(58)59)13-16-52(4,60)50-29(3)20-39-38(74-50)26-46-56(8,77-39)49(57)48-42(73-46)24-41-47(75-48)28(2)12-17-54(6)44(72-41)27-43-55(7,79-54)18-14-31-32(71-43)21-34-33(68-31)22-35-36(69-34)23-40-37(70-35)25-45(78-81(64,65)66)53(5,76-40)15-10-19-67-80(61,62)63/h9,13,16,28,30-50,57,60H,1,3,10-12,14-15,17-27H2,2,4-8H3,(H,58,59)(H,61,62,63)(H,64,65,66)/b16-13+",NWJHPOGGOSFSPA,DTQAZKPQSA,N,Carboxyhomoyessotoxin,NWJHPOGGOSFSPA-DTQAZKPQSA-N
HMDB40132,565.507009637,C35H67NO4,CCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)\C=C\CC\C=C(/C)CCCCCCCCC,"InChI=1S/C35H67NO4/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-34(39)35(40)36-32(30-37)33(38)28-25-21-23-27-31(3)26-22-19-17-11-9-7-5-2/h25,27-28,32-34,37-39H,4-24,26,29-30H2,1-3H3,(H,36,40)/b28-25+,31-27+",ZVEQCJWYRWKARO,YUEFSBGFSA,N,"N-(2R-Hydroxyhexadecanoyl)-2S-amino-9-methyl-4E,8E-octadecadiene-1,3R-diol",ZVEQCJWYRWKARO-YUEFSBGFSA-N
HMDB40133,876.487121634,C47H72O15,CC(CC1(C)CCC(O1)C12CCC(C)(CC(O1)C1OC(C)(CC1=O)C(O)C1CCC3(CCCC(O3)C(C)C(O)=O)O1)O2)\C=C(/C)\C=C\C1OC(CC1O)C1(O)OCCC(C)C1O,"InChI=1S/C47H72O15/c1-26(10-11-33-30(48)22-37(56-33)47(54)39(50)28(3)14-20-55-47)21-27(2)23-42(5)16-13-36(60-42)46-19-18-43(6,62-46)25-35(59-46)38-31(49)24-44(7,61-38)40(51)34-12-17-45(58-34)15-8-9-32(57-45)29(4)41(52)53/h10-11,21,27-30,32-40,48,50-51,54H,8-9,12-20,22-25H2,1-7H3,(H,52,53)/b11-10+,26-21+",DGIMWLBARADZNP,UGXWGHHOSA,N,Pectenotoxin 2 secoacid,DGIMWLBARADZNP-UGXWGHHOSA-N
HMDB40134,384.120902994,C21H20O7,COC1=C(O)C=CC(\C=C\C(=O)COC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+",UYEWRTKHKAVRDI,ASVGJQBISA,N,Calebin A,UYEWRTKHKAVRDI-ASVGJQBISA-N
HMDB40135,609.373763633,C30H51N5O8,CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)(C)O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O,"InChI=1S/C30H51N5O8/c1-10-18(4)23-28(40)34(9)24(17(2)3)29(41)33(8)19(5)25(37)31-14-13-22(36)43-21(16-30(6,7)42)27(39)35-15-11-12-20(35)26(38)32-23/h17-21,23-24,42H,10-16H2,1-9H3,(H,31,37)(H,32,38)",COCZASXGUADHMT,UHFFFAOYSA,N,Hydroxydestruxin B,COCZASXGUADHMT-UHFFFAOYSA-N
HMDB40136,771.426587063,C36H61N5O13,CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)(C)OC2OC(CO)C(O)C(O)C2O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O,"InChI=1S/C36H61N5O13/c1-10-19(4)25-33(50)40(9)26(18(2)3)34(51)39(8)20(5)30(47)37-14-13-24(43)52-22(32(49)41-15-11-12-21(41)31(48)38-25)16-36(6,7)54-35-29(46)28(45)27(44)23(17-42)53-35/h18-23,25-29,35,42,44-46H,10-17H2,1-9H3,(H,37,47)(H,38,48)",XPPQPHQJYKEZRT,UHFFFAOYSA,N,beta-D-Glucosyloxydestruxin B,XPPQPHQJYKEZRT-UHFFFAOYSA-N
HMDB40137,352.080117586,C9H16N6O7S,OCC1NC(=N)N2CC(OS(O)(=O)=O)C(O)(O)C22NC(=N)NC12,"InChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)",AJLCXXKDNUGKKH,UHFFFAOYSA,N,Decarbamoylgonyautoxin III,AJLCXXKDNUGKKH-UHFFFAOYSA-N
HMDB40138,516.126776232,C25H24O12,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(C)=O)C(O)C1OC(C)=O,"InChI=1S/C25H24O12/c1-10-21(34-11(2)26)20(32)24(35-12(3)27)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3",VWQNZPASHLNLEM,UHFFFAOYSA,N,"2'',4''-Diacetylafzelin",VWQNZPASHLNLEM-UHFFFAOYSA-N
HMDB40139,516.126776232,C25H24O12,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3",SXOZSDJHGMAEGZ,UHFFFAOYSA,N,"3'',4''-Diacetylafzelin",SXOZSDJHGMAEGZ-UHFFFAOYSA-N
HMDB40140,592.15807636,C31H28O12,O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C(CC1=C(O)C=C(O)C3=C1O[C@@H]([C@@H](O)C3)C1=CC=C(O)C(O)=C1)=C(O)C=C2O,"InChI=1S/C31H28O12/c32-18-3-1-12(5-24(18)38)28-26(40)8-16-22(36)10-20(34)14(30(16)42-28)7-15-21(35)11-23(37)17-9-27(41)29(43-31(15)17)13-2-4-19(33)25(39)6-13/h1-6,10-11,26-29,32-41H,7-9H2/t26-,27-,28+,29+/m0/s1",KATSZCAOGZFWJD,QUAHOIDUSA,N,"8,8'-Methylenebiscatechin",KATSZCAOGZFWJD-QUAHOIDUSA-N
HMDB40141,124.063662888,C6H8N2O,COC1=NC=C(C)N=C1,"InChI=1S/C6H8N2O/c1-5-3-8-6(9-2)4-7-5/h3-4H,1-2H3",OHQNWZNVCSEVEQ,UHFFFAOYSA,N,2-Methoxy-5-methylpyrazine,OHQNWZNVCSEVEQ-UHFFFAOYSA-N
HMDB40142,138.079312952,C7H10N2O,CCOC1=NC=C(C)N=C1,"InChI=1S/C7H10N2O/c1-3-10-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3",MGDMTRSONRZXOH,UHFFFAOYSA,N,2-Ethoxy-5-methylpyrazine,MGDMTRSONRZXOH-UHFFFAOYSA-N
HMDB40143,124.063662888,C6H8N2O,COC1=CN=CC(C)=N1,"InChI=1S/C6H8N2O/c1-5-3-7-4-6(8-5)9-2/h3-4H,1-2H3",MYDVJLOKNIAHPH,UHFFFAOYSA,N,2-Methoxy-6-methylpyrazine,MYDVJLOKNIAHPH-UHFFFAOYSA-N
HMDB40144,138.079312952,C7H10N2O,CCOC1=CN=CC(C)=N1,"InChI=1S/C7H10N2O/c1-3-10-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3",XBLZVFYOCZVABA,UHFFFAOYSA,N,2-Ethoxy-6-methylpyrazine,XBLZVFYOCZVABA-UHFFFAOYSA-N
HMDB40145,98.036779436,C5H6O2,O=C1CCC=CO1,"InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h2,4H,1,3H2",VEFDLKXOSOFUIN,UHFFFAOYSA,N,5-Hydroxy-4-pentenoic acid d-lactone,VEFDLKXOSOFUIN-UHFFFAOYSA-N
HMDB40146,126.10446507,C8H14O,CC\C=C\C\C=C/CO,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,6-7,9H,2,5,8H2,1H3/b4-3+,7-6-",INXWZSVGTHMNEU,FDTUMDBZSA,N,"2,5-Octadien-1-ol",INXWZSVGTHMNEU-FDTUMDBZSA-N
HMDB40147,222.963276466,C9H6BrNO,BrC1=C(C=O)C2=CC=CC=C2N1,"InChI=1S/C9H6BrNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H",WIRLVLFYTTULCM,UHFFFAOYSA,N,2-Bromo-1H-indole-3-carboxaldehyde,WIRLVLFYTTULCM-UHFFFAOYSA-N
HMDB40148,111.068413915,C6H9NO,CC1=NC(C)=C(C)O1,InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3,ZRLDBDZSLLGDOX,UHFFFAOYSA,N,Trimethyloxazole,ZRLDBDZSLLGDOX-UHFFFAOYSA-N
HMDB40149,126.10446507,C8H14O,CC\C=C\C=C\CCO,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-6,9H,2,7-8H2,1H3/b4-3+,6-5+",ZVVFQUSSYQVVJC,VNKDHWASSA,N,"(3E,5Z)-3,5-Octadien-1-ol",ZVVFQUSSYQVVJC-VNKDHWASSA-N
HMDB40150,116.029585568,C5H8OS,CC1CCC(=O)S1,"InChI=1S/C5H8OS/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3",BNHNVGAUODLKKT,UHFFFAOYSA,N,Dihydro-5-methyl-2(3H)-thiophenone,BNHNVGAUODLKKT-UHFFFAOYSA-N
HMDB40151,126.10446507,C8H14O,CCC\C=C\C=C/CO,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h4-7,9H,2-3,8H2,1H3/b5-4+,7-6-",LMBAOEUOOJDUBP,DEQVHDEQSA,N,"(2E,4E)-2,4-Octadien-1-ol",LMBAOEUOOJDUBP-DEQVHDEQSA-N
HMDB40152,134.07653576,C6H14OS,CCCC(S)CCO,"InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3",TYZFMFVWHZKYSE,UHFFFAOYSA,N,3-Mercapto-1-hexanol,TYZFMFVWHZKYSE-UHFFFAOYSA-N
HMDB40153,148.092185824,C7H16OS,CCCC(CCO)SC,"InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3",JSASXSHMJYRPCM,UHFFFAOYSA,N,R-3-(Methylthio)-1-hexanol,JSASXSHMJYRPCM-UHFFFAOYSA-N
HMDB40154,326.121296924,C12H22O10,OCC1OC(CO)(OCC2OC(O)CC(O)C2O)C(O)C1O,"InChI=1S/C12H22O10/c13-2-6-10(18)11(19)12(4-14,22-6)20-3-7-9(17)5(15)1-8(16)21-7/h5-11,13-19H,1-4H2",SMVQCONTAPZYQB,UHFFFAOYSA,N,6-O-b-D-Fructofuranosyl-2-deoxy-D-glucose,SMVQCONTAPZYQB-UHFFFAOYSA-N
HMDB40155,726.304012301,C42H46O11,C\C(CCC(O)C(C)(C)O)=C/COC1=C2C=COC2=CC2=C1C=CC1(OC(CC\C(C)=C\COC3=C4C=COC4=CC4=C3C=CC(=O)O4)C(C)(C)O1)O2,"InChI=1S/C42H46O11/c1-25(7-10-35(43)40(3,4)45)14-19-49-39-28-13-18-42(51-34(28)24-32-30(39)17-22-47-32)52-36(41(5,6)53-42)11-8-26(2)15-20-48-38-27-9-12-37(44)50-33(27)23-31-29(38)16-21-46-31/h9,12-18,21-24,35-36,43,45H,7-8,10-11,19-20H2,1-6H3/b25-14+,26-15+",XJFYVHQSQCXVIW,LVSXPEEVSA,N,Paradisin C,XJFYVHQSQCXVIW-LVSXPEEVSA-N
HMDB40157,172.146329884,C10H20O2,CCC(C)C(=O)OCCC(C)C,"InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3",VGIRHYHLQKDEPP,UHFFFAOYSA,N,3-Methylbutyl 2-methylbutanoate,VGIRHYHLQKDEPP-UHFFFAOYSA-N
HMDB40158,198.161979948,C12H22O2,CCCCCCOC(=O)C(C)\C=C/C,"InChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,9,11H,4,6-8,10H2,1-3H3/b9-5-",BSKRYZBCMPUFRS,UITAMQMPSA,N,Hexyl 2-methyl-3-pentenoate,BSKRYZBCMPUFRS-UITAMQMPSA-N
HMDB40159,340.100561482,C12H20O11,CC1OC(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O,"InChI=1S/C12H20O11/c1-2-3(13)5(15)9(11(20)21-2)23-12-7(17)4(14)6(16)8(22-12)10(18)19/h2-9,11-17,20H,1H3,(H,18,19)",SILSJWQOMSRYIY,UHFFFAOYSA,N,2-O-a-D-Galactopyranuronosyl-L-rhamnose,SILSJWQOMSRYIY-UHFFFAOYSA-N
HMDB40162,568.428031036,C40H56O2,O[C@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C1,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1",JKQXZKUSFCKOGQ,ANDPMPNWSA,N,"(3S,3'S,all-E)-Zeaxanthin",JKQXZKUSFCKOGQ-ANDPMPNWSA-N
HMDB40163,198.161979948,C12H22O2,CCCCCCOC(=O)C(C)CC=C,"InChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,11H,2,4,6-10H2,1,3H3",GEDRGVNPMIOGRX,UHFFFAOYSA,N,Hexyl 2-methyl-4-pentenoate,GEDRGVNPMIOGRX-UHFFFAOYSA-N
HMDB40164,198.05032101,C13H10S,CC1=C2SC3=CC=CC=C3C2=CC=C1,"InChI=1S/C13H10S/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3",NICUQYHIOMMFGV,UHFFFAOYSA,N,4-Methyldibenzothiophene,NICUQYHIOMMFGV-UHFFFAOYSA-N
HMDB40165,172.109944378,C9H16O3,CCCCOC(=O)CCC(C)=O,"InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3",ISBWNEKJSSLXOD,UHFFFAOYSA,N,Butyl levulinate,ISBWNEKJSSLXOD-UHFFFAOYSA-N
HMDB40166,200.177630012,C12H24O2,CCCCCCCCCCOC(C)=O,"InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3",NUPSHWCALHZGOV,UHFFFAOYSA,N,Decyl acetate,NUPSHWCALHZGOV-UHFFFAOYSA-N
HMDB40167,172.146329884,C10H20O2,CCCCCC(CC)OC(C)=O,"InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3",STZUZYMKSMSTOU,UHFFFAOYSA,N,(±)-3-Octyl acetate,STZUZYMKSMSTOU-UHFFFAOYSA-N
HMDB40168,290.20932407,C15H30O5,CCCCCCCC(O)CCCC(=O)OCC(O)CO,"InChI=1S/C15H30O5/c1-2-3-4-5-6-8-13(17)9-7-10-15(19)20-12-14(18)11-16/h13-14,16-18H,2-12H2,1H3",KCEQGTJBAICOKH,UHFFFAOYSA,N,Glycerol 1-(5-hydroxydodecanoate),KCEQGTJBAICOKH-UHFFFAOYSA-N
HMDB40169,216.172544634,C12H24O3,CCCCCCCC(O)CCCC(O)=O,"InChI=1S/C12H24O3/c1-2-3-4-5-6-8-11(13)9-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)",LXNOENXQFNYMGT,UHFFFAOYSA,N,xi-5-Hydroxydodecanoic acid,LXNOENXQFNYMGT-UHFFFAOYSA-N
HMDB40170,104.029585568,C4H8OS,CSCC(C)=O,"InChI=1S/C4H8OS/c1-4(5)3-6-2/h3H2,1-2H3",UKFADLGENFFWHR,UHFFFAOYSA,N,(Methylthio)acetone,UKFADLGENFFWHR-UHFFFAOYSA-N
HMDB40171,186.161979948,C11H22O2,CCCCCCCOC(=O)C(C)C,"InChI=1S/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3",RFDUMBPGZUIKOG,UHFFFAOYSA,N,Heptyl 2-methylpropanoate,RFDUMBPGZUIKOG-UHFFFAOYSA-N
HMDB40172,514.405581034,C30H58O4S,CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,"InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",GHKOFFNLGXMVNJ,UHFFFAOYSA,N,Didodecyl thiobispropanoate,GHKOFFNLGXMVNJ-UHFFFAOYSA-N
HMDB40173,83.073499293,C5H9N,CCCCC#N,"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3",RFFFKMOABOFIDF,UHFFFAOYSA,N,Pentanenitrile,RFFFKMOABOFIDF-UHFFFAOYSA-N
HMDB40174,138.068079564,C8H10O2,CCC1=CC(O)=C(O)C=C1,"InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3",HFLGBNBLMBSXEM,UHFFFAOYSA,N,"4-Ethyl-1,2-benzenediol",HFLGBNBLMBSXEM-UHFFFAOYSA-N
HMDB40175,152.083729628,C9H12O2,CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3",CHWNEIVBYREQRF,UHFFFAOYSA,N,4-Ethyl-2-methoxyphenol,CHWNEIVBYREQRF-UHFFFAOYSA-N
HMDB40176,166.099379692,C10H14O2,CCC1=CC(OC)=C(OC)C=C1,"InChI=1S/C10H14O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h5-7H,4H2,1-3H3",NEBQMYHKOREVAL,UHFFFAOYSA,N,"4-Ethyl-1,2-dimethoxybenzene",NEBQMYHKOREVAL-UHFFFAOYSA-N
HMDB40177,138.068079564,C8H10O2,CCC1=C(O)C(O)=CC=C1,"InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3",UUCQGNWZASKXNN,UHFFFAOYSA,N,"3-Ethyl-1,2-benzenediol",UUCQGNWZASKXNN-UHFFFAOYSA-N
HMDB40178,222.161979948,C14H22O2,CC(C)(C)C1=CC(O)=CC(=C1O)C(C)(C)C,"InChI=1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3",JFGVTUJBHHZRAB,UHFFFAOYSA,N,"2,6-Di-tert-butyl-1,4-benzenediol",JFGVTUJBHHZRAB-UHFFFAOYSA-N
HMDB40179,234.198365454,C16H26O,CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3",BVUXDWXKPROUDO,UHFFFAOYSA,N,"2,6-Di-tert-butyl-4-ethylphenol",BVUXDWXKPROUDO-UHFFFAOYSA-N
HMDB40180,288.281701152,C21H36,CCCCCCCCCCCCCCCC1=CC=CC=C1,"InChI=1S/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3",JIRNEODMTPGRGV,UHFFFAOYSA,N,Pentadecylbenzene,JIRNEODMTPGRGV-UHFFFAOYSA-N
HMDB40181,504.169034976,C18H32O16,OCC1OC(OCC2OC(OC3C(O)C(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-3-5(20)7(22)14(29)17(32-3)31-2-4-6(21)8(23)15(30)18(33-4)34-16-12(27)10(25)9(24)11(26)13(16)28/h3-30H,1-2H2",MWNCPUNLDATDBW,UHFFFAOYSA,N,Fagopyritol A2,MWNCPUNLDATDBW-UHFFFAOYSA-N
HMDB40182,666.221858406,C24H42O21,OCC1OC(OCC2OC(OCC3OC(OC4C(O)C(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C24H42O21/c25-1-4-7(26)10(29)18(37)22(42-4)40-2-5-8(27)11(30)19(38)23(43-5)41-3-6-9(28)12(31)20(39)24(44-6)45-21-16(35)14(33)13(32)15(34)17(21)36/h4-39H,1-3H2",XCUQINBMYSWRHJ,UHFFFAOYSA,N,Fagopyritol A3,XCUQINBMYSWRHJ-UHFFFAOYSA-N
HMDB40184,79.975441508,CH4S2,SCS,"InChI=1S/CH4S2/c2-1-3/h2-3H,1H2",INBDPOJZYZJUDA,UHFFFAOYSA,N,Methanedithiol,INBDPOJZYZJUDA-UHFFFAOYSA-N
HMDB40185,106.045235632,C4H10OS,CC(O)C(C)S,"InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3",MJQWABQELVFQJL,UHFFFAOYSA,N,3-Mercapto-2-butanol,MJQWABQELVFQJL-UHFFFAOYSA-N
HMDB40186,146.07653576,C7H14OS,CCCC(CC=O)SC,"InChI=1S/C7H14OS/c1-3-4-7(9-2)5-6-8/h6-7H,3-5H2,1-2H3",VIVJHDGDCOQORO,UHFFFAOYSA,N,3-(Methylthio)hexanal,VIVJHDGDCOQORO-UHFFFAOYSA-N
HMDB40187,247.823917719,C3H3Br2ClO,CC(=O)C(Cl)(Br)Br,"InChI=1S/C3H3Br2ClO/c1-2(7)3(4,5)6/h1H3",DKJGWIKRAGVVKN,UHFFFAOYSA,N,"1,1-Dibromo-1-chloro-2-propanone",DKJGWIKRAGVVKN-UHFFFAOYSA-N
HMDB40188,213.862890044,C3H4Br2O,CC(=O)C(Br)Br,"InChI=1S/C3H4Br2O/c1-2(6)3(4)5/h3H,1H3",ZABBFAHZPHMIJC,UHFFFAOYSA,N,"1,1-Dibromo-2-propanone",ZABBFAHZPHMIJC-UHFFFAOYSA-N
HMDB40189,339.759533432,C3H3Br2IO,BrC(Br)C(=O)CI,"InChI=1S/C3H3Br2IO/c4-3(5)2(7)1-6/h3H,1H2",UDPFVNCNMONXIZ,UHFFFAOYSA,N,"1,1-Dibromo-3-iodo-2-propanone",UDPFVNCNMONXIZ-UHFFFAOYSA-N
HMDB40190,261.849020817,C3H4BrIO,BrCC(=O)CI,InChI=1S/C3H4BrIO/c4-1-3(6)2-5/h1-2H2,YMHCIXGATYNJNH,UHFFFAOYSA,N,1-Bromo-3-iodoacetone,YMHCIXGATYNJNH-UHFFFAOYSA-N
HMDB40191,114.10446507,C7H14O,CCCCC(C)C=O,"InChI=1S/C7H14O/c1-3-4-5-7(2)6-8/h6-7H,3-5H2,1-2H3",BHVGMUDWABJNRC,UHFFFAOYSA,N,(±)-2-Methylhexanal,BHVGMUDWABJNRC-UHFFFAOYSA-N
HMDB40192,162.009912758,C4H6N2O3S,OC(=O)C1CSCN1N=O,"InChI=1S/C4H6N2O3S/c7-4(8)3-1-10-2-6(3)5-9/h3H,1-2H2,(H,7,8)",LGLMHMRNPVACGS,UHFFFAOYSA,N,N-Nitrosothiazolidine-4-carboxylic acid,LGLMHMRNPVACGS-UHFFFAOYSA-N
HMDB40193,186.161979948,C11H22O2,CCCCCCCCC(=O)OCC,"InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3",BYEVBITUADOIGY,UHFFFAOYSA,N,Ethyl nonanoate,BYEVBITUADOIGY-UHFFFAOYSA-N
HMDB40194,170.13067982,C10H18O2,CCCCCC\C=C/C(=O)OC,"InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8-",ZWNPUELCBZVMDA,HJWRWDBZSA,N,Methyl 2-nonenoate,ZWNPUELCBZVMDA-HJWRWDBZSA-N
HMDB40195,172.146329884,C10H20O2,CCCCCCCC(=O)OCC,"InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3",YYZUSRORWSJGET,UHFFFAOYSA,N,Ethyl octanoate,YYZUSRORWSJGET-UHFFFAOYSA-N
HMDB40196,202.120509064,C10H18O4,CCCCOC(=O)C(=O)OCCCC,"InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3",JKRZOJADNVOXPM,UHFFFAOYSA,N,Oxalic acid dibutyl ester,JKRZOJADNVOXPM-UHFFFAOYSA-N
HMDB40197,128.029585568,C6H8OS,CC1=CC(S)=C(C)O1,"InChI=1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3",DBBHCZMXKBCICL,UHFFFAOYSA,N,"2,5-Dimethyl-3-furanthiol",DBBHCZMXKBCICL-UHFFFAOYSA-N
HMDB40198,142.045235632,C7H10OS,CSC1=C(C)OC(C)=C1,"InChI=1S/C7H10OS/c1-5-4-7(9-3)6(2)8-5/h4H,1-3H3",DWAOFMNMQUXUGG,UHFFFAOYSA,N,"2,5-Dimethyl-3-(methylthio)furan",DWAOFMNMQUXUGG-UHFFFAOYSA-N
HMDB40199,160.001656258,C6H8OS2,CSSC1=C(C)OC=C1,"InChI=1S/C6H8OS2/c1-5-6(9-8-2)3-4-7-5/h3-4H,1-2H3",SRUTWBWLFKSTIS,UHFFFAOYSA,N,2-Methyl-3-(methyldithio)furan,SRUTWBWLFKSTIS-UHFFFAOYSA-N
HMDB40200,174.017306322,C7H10OS2,CSSC1=C(C)OC(C)=C1,"InChI=1S/C7H10OS2/c1-5-4-7(10-9-3)6(2)8-5/h4H,1-3H3",ZZXDUGZYDILQMO,UHFFFAOYSA,N,"2,5-Dimethyl-3-(methyldithio)furan",ZZXDUGZYDILQMO-UHFFFAOYSA-N
HMDB40201,226.012220944,C10H10O2S2,CC1=C(SSC2=C(C)OC=C2)C=CO1,"InChI=1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3",OHDFENKFSKIFBJ,UHFFFAOYSA,N,"3,3'-Dithiobis[2-methylfuran]",OHDFENKFSKIFBJ-UHFFFAOYSA-N
HMDB40202,172.109944378,C9H16O3,CCCCOC(=O)C(=C)C(C)O,"InChI=1S/C9H16O3/c1-4-5-6-12-9(11)7(2)8(3)10/h8,10H,2,4-6H2,1,3H3",BGBNIHUXOLZWIB,UHFFFAOYSA,N,Butyl 3-hydroxy-2-methylidenebutanoate,BGBNIHUXOLZWIB-UHFFFAOYSA-N
HMDB40203,172.109944378,C9H16O3,CC(C)COC(=O)C(=C)C(C)O,"InChI=1S/C9H16O3/c1-6(2)5-12-9(11)7(3)8(4)10/h6,8,10H,3,5H2,1-2,4H3",YWLLUDSCDSOEDO,UHFFFAOYSA,N,2-Methylpropyl 3-hydroxy-2-methylidenebutanoate,YWLLUDSCDSOEDO-UHFFFAOYSA-N
HMDB40204,186.125594442,C10H18O3,CCC(C)COC(=O)C(=C)C(C)O,"InChI=1S/C10H18O3/c1-5-7(2)6-13-10(12)8(3)9(4)11/h7,9,11H,3,5-6H2,1-2,4H3",BAAJXLRVWJHRQH,UHFFFAOYSA,N,2-Methylbutyl 3-hydroxy-2-methylidenebutanoate,BAAJXLRVWJHRQH-UHFFFAOYSA-N
HMDB40205,186.125594442,C10H18O3,CC(C)CCOC(=O)C(=C)C(C)O,"InChI=1S/C10H18O3/c1-7(2)5-6-13-10(12)8(3)9(4)11/h7,9,11H,3,5-6H2,1-2,4H3",URBTVTZTLQVLCO,UHFFFAOYSA,N,3-Methylbutyl 3-hydroxy-2-methylidenebutanoate,URBTVTZTLQVLCO-UHFFFAOYSA-N
HMDB40206,196.146329884,C12H20O2,C=CCOC(=O)CCC1CCCCC1,"InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2",TWXUTZNBHUWMKJ,UHFFFAOYSA,N,Allyl 3-cyclohexylpropionate,TWXUTZNBHUWMKJ-UHFFFAOYSA-N
HMDB40207,144.042258744,C6H8O4,CCOC(=O)\C=C/C(O)=O,"InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3-",XLYMOEINVGRTEX,ARJAWSKDSA,N,Ethyl hydrogen fumarate,XLYMOEINVGRTEX-ARJAWSKDSA-N
HMDB40208,170.13067982,C10H18O2,CCCCCCC(=O)OCC=C,"InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3",SJWKGDGUQTWDRV,UHFFFAOYSA,N,2-Propenyl heptanoate,SJWKGDGUQTWDRV-UHFFFAOYSA-N
HMDB40209,144.115029756,C8H16O2,CCCCCC(=O)OCC,"InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3",SHZIWNPUGXLXDT,UHFFFAOYSA,N,Ethyl hexanoate,SHZIWNPUGXLXDT-UHFFFAOYSA-N
HMDB40210,156.115029756,C9H16O2,CCCCCC(=O)OCC=C,"InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3",RCSBILYQLVXLJG,UHFFFAOYSA,N,2-Propenyl hexanoate,RCSBILYQLVXLJG-UHFFFAOYSA-N
HMDB40211,172.146329884,C10H20O2,CCCCCC(=O)OCCCC,"InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3",RPRPDTXKGSIXMD,UHFFFAOYSA,N,Butyl hexanoate,RPRPDTXKGSIXMD-UHFFFAOYSA-N
HMDB40212,142.099379692,C8H14O2,CCC\C=C\COC(C)=O,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+",HRHOWZHRCRZVCU,AATRIKPKSA,N,2-Hexenyl acetate,HRHOWZHRCRZVCU-AATRIKPKSA-N
HMDB40213,170.13067982,C10H18O2,CC\C=C/CCOC(=O)C(C)C,"InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-",OSMAJVWUIUORGC,WAYWQWQTSA,N,cis-3-Hexenyl isobutyrate,OSMAJVWUIUORGC-WAYWQWQTSA-N
HMDB40214,128.083729628,C7H12O2,CC\C=C/CCOC=O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-",XJHQVZQZUGLZLS,ARJAWSKDSA,N,cis-3-Hexenyl formate,XJHQVZQZUGLZLS-ARJAWSKDSA-N
HMDB40215,142.099379692,C8H14O2,CC\C=C/CCOC(C)=O,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-",NPFVOOAXDOBMCE,PLNGDYQASA,N,cis-3-Hexenyl acetate,NPFVOOAXDOBMCE-PLNGDYQASA-N
HMDB40216,152.083729628,C9H12O2,CC1=CC(=O)CC(C)(C)C1=O,"InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3",AYJXHIDNNLJQDT,UHFFFAOYSA,N,"2,6,6-Trimethyl-2-cyclohexene-1,4-dione",AYJXHIDNNLJQDT-UHFFFAOYSA-N
HMDB40217,220.146329884,C14H20O2,CC1=C(O)C(C)=C2CCC(C)(C)OC2=C1C,"InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3",SEBPXHSZHLFWRL,UHFFFAOYSA,N,"3,4-Dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-ol",SEBPXHSZHLFWRL-UHFFFAOYSA-N
HMDB40218,208.109944378,C12H16O3,CC(C)C(=O)OCCOC1=CC=CC=C1,"InChI=1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",MJTPMXWJHPOWGH,UHFFFAOYSA,N,2-Phenoxyethyl isobutyrate,MJTPMXWJHPOWGH-UHFFFAOYSA-N
HMDB40219,218.188194698,C12H26O3,COC(CC(C)CCCC(C)(C)O)OC,"InChI=1S/C12H26O3/c1-10(9-11(14-4)15-5)7-6-8-12(2,3)13/h10-11,13H,6-9H2,1-5H3",QCJVKUULZGKQDG,UHFFFAOYSA,N,"8,8-Dimethoxy-2,6-dimethyl-2-octanol",QCJVKUULZGKQDG-UHFFFAOYSA-N
HMDB40220,190.084123558,C8H14O5,CCOC(=O)CC(O)C(=O)OCC,"InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3",VKNUORWMCINMRB,UHFFFAOYSA,N,Diethyl L-malate,VKNUORWMCINMRB-UHFFFAOYSA-N
HMDB40221,158.13067982,C9H18O2,CCCC(=O)OCCC(C)C,"InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3",PQLMXFQTAMDXIZ,UHFFFAOYSA,N,Isoamyl butyrate,PQLMXFQTAMDXIZ-UHFFFAOYSA-N
HMDB40222,135.068413915,C8H9NO,CC(=O)C1=NC=C(C)C=C1,"InChI=1S/C8H9NO/c1-6-3-4-8(7(2)10)9-5-6/h3-5H,1-2H3",SBFBKLLKNHMBOH,UHFFFAOYSA,N,2-Acetyl-5-methylpyridine,SBFBKLLKNHMBOH-UHFFFAOYSA-N
HMDB40223,135.068413915,C8H9NO,CC(=O)C1=CC=NC(C)=C1,"InChI=1S/C8H9NO/c1-6-5-8(7(2)10)3-4-9-6/h3-5H,1-2H3",NIGBUKPEJHINOG,UHFFFAOYSA,N,4-Acetyl-2-methylpyridine,NIGBUKPEJHINOG-UHFFFAOYSA-N
HMDB40224,135.068413915,C8H9NO,CC(=O)C1=CC=NC=C1C,"InChI=1S/C8H9NO/c1-6-5-9-4-3-8(6)7(2)10/h3-5H,1-2H3",MWTAIRKNMHLZBS,UHFFFAOYSA,N,4-Acetyl-3-methylpyridine,MWTAIRKNMHLZBS-UHFFFAOYSA-N
HMDB40225,208.109944378,C12H16O3,CC(C)CCOC(=O)C1=CC=CC=C1O,"InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3",PMGCQNGBLMMXEW,UHFFFAOYSA,N,Isoamyl salicylate,PMGCQNGBLMMXEW-UHFFFAOYSA-N
HMDB40226,220.146329884,C14H20O2,CCCC(=O)OC(C)(C)CC1=CC=CC=C1,"InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3",SHSGYHAHMQLYRB,UHFFFAOYSA,N,2-Methyl-1-phenyl-2-propanyl butyrate,SHSGYHAHMQLYRB-UHFFFAOYSA-N
HMDB40227,196.146329884,C12H20O2,C[C@@H]1CC[C@H]([C@@H](C1)OC(C)=O)C(C)=C,"InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12-/m1/s1",HLHIVJRLODSUCI,ADEWGFFLSA,N,Isopulegol acetate,HLHIVJRLODSUCI-ADEWGFFLSA-N
HMDB40228,226.193280076,C14H26O2,CCOC(OCC)\C=C(\C)CCC=C(C)C,"InChI=1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11-",NTXGFKWLJFHGGJ,QBFSEMIESA,N,"1,1-Diethoxy-3,7-dimethyl-2,6-octadiene",NTXGFKWLJFHGGJ-QBFSEMIESA-N
HMDB40229,137.029919919,C7H7NS,C1SC=CN2C=CC=C12,"InChI=1S/C7H7NS/c1-2-7-6-9-5-4-8(7)3-1/h1-5H,6H2",LMFZCLWJOUSWGP,UHFFFAOYSA,N,"1H-Pyrrolo[2,1-c][1,4]thiazine",LMFZCLWJOUSWGP-UHFFFAOYSA-N
HMDB40230,148.001656258,C5H8OS2,CC(=O)C1CCSS1,"InChI=1S/C5H8OS2/c1-4(6)5-2-3-7-8-5/h5H,2-3H2,1H3",OEBJHVCWENCTLE,UHFFFAOYSA,N,"3-Acetyl-1,2-dithiolane",OEBJHVCWENCTLE-UHFFFAOYSA-N
HMDB40231,154.045235632,C8H10OS,CCC(=O)C1=CC=C(C)S1,"InChI=1S/C8H10OS/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3",ROPOMQPSWIOWSN,UHFFFAOYSA,N,1-(5-Methyl-2-thienyl)-1-propanone,ROPOMQPSWIOWSN-UHFFFAOYSA-N
HMDB40232,210.161979948,C13H22O2,CC1CCC2C(C)(C)CC(=O)CC2(C)O1,"InChI=1S/C13H22O2/c1-9-5-6-11-12(2,3)7-10(14)8-13(11,4)15-9/h9,11H,5-8H2,1-4H3",VXIZSNZJQJVFMK,UHFFFAOYSA,N,"Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one",VXIZSNZJQJVFMK-UHFFFAOYSA-N
HMDB40233,208.146329884,C13H20O2,CC1CC=C2C(C)(C)CC(=O)CC2(C)O1,"InChI=1S/C13H20O2/c1-9-5-6-11-12(2,3)7-10(14)8-13(11,4)15-9/h6,9H,5,7-8H2,1-4H3",PYUYJSFTZPYHDW,UHFFFAOYSA,N,"2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one",PYUYJSFTZPYHDW-UHFFFAOYSA-N
HMDB40234,114.05032101,C6H10S,C\C=C\S\C=C\C,"InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-6H,1-2H3/b5-3+,6-4+",RJDJXOBGMMKPMH,GGWOSOGESA,N,Di-1-propenyl sulfide,RJDJXOBGMMKPMH-GGWOSOGESA-N
HMDB40235,182.025762518,C6H14S3,CCC(S)SC(S)CC,"InChI=1S/C6H14S3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3",MPDULAQZHPFPOG,UHFFFAOYSA,N,"1,1'-Thiobis-1-propanethiol",MPDULAQZHPFPOG-UHFFFAOYSA-N
HMDB40236,140.065971074,C8H12S,CCC1=CSC=C1CC,"InChI=1S/C8H12S/c1-3-7-5-9-6-8(7)4-2/h5-6H,3-4H2,1-2H3",KWMRVTDUWMBHRV,UHFFFAOYSA,N,"3,4-Diethylthiophene",KWMRVTDUWMBHRV-UHFFFAOYSA-N
HMDB40237,146.040150254,C6H10O2S,COC1(C)SCCC1=O,"InChI=1S/C6H10O2S/c1-6(8-2)5(7)3-4-9-6/h3-4H2,1-2H3",FCDCVDDFZHJGKZ,UHFFFAOYSA,N,Dihydro-2-methoxy-2-methyl-3(2H)-thiophenone,FCDCVDDFZHJGKZ-UHFFFAOYSA-N
HMDB40238,130.045235632,C6H10OS,CCC1SCCC1=O,"InChI=1S/C6H10OS/c1-2-6-5(7)3-4-8-6/h6H,2-4H2,1H3",KNYBAJCQHFBMOP,UHFFFAOYSA,N,2-Ethyldihydro-3(2H)-thiophenone,KNYBAJCQHFBMOP-UHFFFAOYSA-N
HMDB40239,153.99446239,C4H10S3,CC(S)SC(C)S,"InChI=1S/C4H10S3/c1-3(5)7-4(2)6/h3-6H,1-2H3",PAEMPWLDXSJQRU,UHFFFAOYSA,N,"1,1'-Thiobisethanethiol",PAEMPWLDXSJQRU-UHFFFAOYSA-N
HMDB40240,154.081621138,C9H14S,CCCCCC1=CC=CS1,"InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",NOYVOSGVFSEKPR,UHFFFAOYSA,N,2-Pentylthiophene,NOYVOSGVFSEKPR-UHFFFAOYSA-N
HMDB40241,196.092185824,C11H16OS,CCCCCCC(=O)C1=CC=CS1,"InChI=1S/C11H16OS/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3",BDNFJEMAAFFMFH,UHFFFAOYSA,N,1-(2-Thienyl)-1-heptanone,BDNFJEMAAFFMFH-UHFFFAOYSA-N
HMDB40242,208.041412582,C8H16S3,CCCCCC1SSC(C)S1,"InChI=1S/C8H16S3/c1-3-4-5-6-8-9-7(2)10-11-8/h7-8H,3-6H2,1-2H3",MLOZURMZWJZSCN,UHFFFAOYSA,N,"3-Methyl-5-pentyl-1,2,4-trithiolane",MLOZURMZWJZSCN-UHFFFAOYSA-N
HMDB40243,222.057062646,C9H18S3,CC1(C)SC(C)(C)SC(C)(C)S1,"InChI=1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3",NBNWHQAWKFYFKI,UHFFFAOYSA,N,"2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane",NBNWHQAWKFYFKI-UHFFFAOYSA-N
HMDB40244,116.065971074,C6H12S,CCCS\C=C\C,"InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+",RKVNNVDQIVWRNA,HWKANZROSA,N,1-Propenyl propyl sulfide,RKVNNVDQIVWRNA-HWKANZROSA-N
HMDB40245,162.10446507,C11H14O,CC(CC1=CC=CC=C1C)C=O,"InChI=1S/C11H14O/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-6,8-9H,7H2,1-2H3",PFTIYHYMOUKOHA,UHFFFAOYSA,N,(±)-2-Methyl-3-(2-methylphenyl)propanal,PFTIYHYMOUKOHA-UHFFFAOYSA-N
HMDB40246,124.088815006,C8H12O,CC1=CC(=O)C(C)(C)C1,"InChI=1S/C8H12O/c1-6-4-7(9)8(2,3)5-6/h4H,5H2,1-3H3",AVXVDNJFGZNVAB,UHFFFAOYSA,N,"3,5,5-Trimethyl-2-cyclopenten-1-one",AVXVDNJFGZNVAB-UHFFFAOYSA-N
HMDB40247,168.151415262,C11H20O,CCCCCCCC\C=C\C=O,"InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+",PANBRUWVURLWGY,MDZDMXLPSA,N,2-Undecenal,PANBRUWVURLWGY-MDZDMXLPSA-N
HMDB40248,242.101504956,C9H14N4O4,NC(CN1C=NC(CC(N)C(O)=O)=C1)C(O)=O,"InChI=1S/C9H14N4O4/c10-6(8(14)15)1-5-2-13(4-12-5)3-7(11)9(16)17/h2,4,6-7H,1,3,10-11H2,(H,14,15)(H,16,17)",IZQGEZGZCIIKOP,UHFFFAOYSA,N,"(S,S)-Nt-Histidinylalanine",IZQGEZGZCIIKOP-UHFFFAOYSA-N
HMDB40249,242.101504956,C9H14N4O4,NC(CN1C=NC=C1CC(N)C(O)=O)C(O)=O,"InChI=1S/C9H14N4O4/c10-6(8(14)15)1-5-2-12-4-13(5)3-7(11)9(16)17/h2,4,6-7H,1,3,10-11H2,(H,14,15)(H,16,17)",MYLPOAPVPIJSGR,UHFFFAOYSA,N,"(S,S)-Np-Histidinylalanine",MYLPOAPVPIJSGR-UHFFFAOYSA-N
HMDB40250,120.006741636,C4H8S2,SC1CCCS1,"InChI=1S/C4H8S2/c5-4-2-1-3-6-4/h4-5H,1-3H2",MBURDTXKYKCZEZ,UHFFFAOYSA,N,xi-Tetrahydro-2-thiophenethiol,MBURDTXKYKCZEZ-UHFFFAOYSA-N
HMDB40251,144.115029756,C8H16O2,CCCCOC(=O)C(C)C,"InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3",JSLCOZYBKYHZNL,UHFFFAOYSA,N,Butyl isobutyrate,JSLCOZYBKYHZNL-UHFFFAOYSA-N
HMDB40252,144.115029756,C8H16O2,CC(C)COC(=O)C(C)C,"InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3",RXGUIWHIADMCFC,UHFFFAOYSA,N,Isobutyl isobutyrate,RXGUIWHIADMCFC-UHFFFAOYSA-N
HMDB40253,88.0524295,C4H8O2,CCCOC=O,"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3",KFNNIILCVOLYIR,UHFFFAOYSA,N,Propyl formate,KFNNIILCVOLYIR-UHFFFAOYSA-N
HMDB40254,146.094294314,C7H14O3,CCCCOC(=O)C(C)O,"InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3",MRABAEUHTLLEML,UHFFFAOYSA,N,Butyl lactate,MRABAEUHTLLEML-UHFFFAOYSA-N
HMDB40256,196.073558872,C10H12O4,COC1=CC=C(OC(C)C(O)=O)C=C1,"InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12)",MIEKOFWWHVOKQX,UHFFFAOYSA,N,(S)-2-(4-Methoxyphenoxy)propanoic acid,MIEKOFWWHVOKQX-UHFFFAOYSA-N
HMDB40258,116.029585568,C5H8OS,CC(=O)C1CCS1,"InChI=1S/C5H8OS/c1-4(6)5-2-3-7-5/h5H,2-3H2,1H3",LHLNSXFHEGETML,UHFFFAOYSA,N,xi-2-Acetylthietane,LHLNSXFHEGETML-UHFFFAOYSA-N
HMDB40259,144.006741636,C6H8S2,CSC1=CC=C(C)S1,"InChI=1S/C6H8S2/c1-5-3-4-6(7-2)8-5/h3-4H,1-2H3",VSUGUKXAAPOFPQ,UHFFFAOYSA,N,2-Methyl-5-(methylthio)thiophene,VSUGUKXAAPOFPQ-UHFFFAOYSA-N
HMDB40260,112.0524295,C6H8O2,CC1(C)OC(=O)C=C1,"InChI=1S/C6H8O2/c1-6(2)4-3-5(7)8-6/h3-4H,1-2H3",YNKQMZRTPPVLLL,UHFFFAOYSA,N,"5,5-Dimethyl-2(5H)-furanone",YNKQMZRTPPVLLL-UHFFFAOYSA-N
HMDB40261,88.016043994,C3H4O3,OC(C=O)C=O,"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H",NVXLIZQNSVLKPO,UHFFFAOYSA,N,Glucosereductone,NVXLIZQNSVLKPO-UHFFFAOYSA-N
HMDB40262,222.057062646,C9H18S3,CCC1SC(CC)SC(CC)S1,"InChI=1S/C9H18S3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3",PHQSYHLEPPMJSU,UHFFFAOYSA,N,"2,4,6-Triethyl-1,3,5-trithiane",PHQSYHLEPPMJSU-UHFFFAOYSA-N
HMDB40263,134.040150254,C5H10O2S,CCOC(=O)CSC,"InChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3",MDIAKIHKBBNYHF,UHFFFAOYSA,N,Ethyl 2-(methylthio)acetate,MDIAKIHKBBNYHF-UHFFFAOYSA-N
HMDB40264,98.073164942,C6H10O,CCC\C=C/C=O,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4-",MBDOYVRWFFCFHM,PLNGDYQASA,N,(Z)-2-Hexenal,MBDOYVRWFFCFHM-PLNGDYQASA-N
HMDB40266,186.161979948,C11H22O2,CCCCCCCCCOC(C)=O,"InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3",GJQIMXVRFNLMTB,UHFFFAOYSA,N,Nonyl acetate,GJQIMXVRFNLMTB-UHFFFAOYSA-N
HMDB40267,174.161979948,C10H22O2,CCCCCCCC(OC)OC,"InChI=1S/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3",BZOOCKAFKVYAOZ,UHFFFAOYSA,N,"1,1-Dimethoxyoctane",BZOOCKAFKVYAOZ-UHFFFAOYSA-N
HMDB40268,192.07864425,C11H12O3,CCOC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",GKKZMYDNDDMXSE,UHFFFAOYSA,N,Ethyl 3-oxo-3-phenylpropanoate,GKKZMYDNDDMXSE-UHFFFAOYSA-N
HMDB40269,253.116151967,C9H19NO7,C[N+](C)(C)CCO.OC(C(O)C([O-])=O)C(O)=O,"InChI=1S/C5H14NO.C4H6O6/c1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1",QWJSAWXRUVVRLH,UHFFFAOYSA,M,Choline bitartrate,QWJSAWXRUVVRLH-UHFFFAOYSA-M
HMDB40270,370.308309832,C22H42O4,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,"InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3",SAOKZLXYCUGLFA,UHFFFAOYSA,N,Diethylhexyl adipate,SAOKZLXYCUGLFA-UHFFFAOYSA-N
HMDB40271,98.073164942,C6H10O,C\C=C\CCC=O,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2+",DPCMFIRORYQTCL,NSCUHMNNSA,N,(Z)-4-Hexenal,DPCMFIRORYQTCL-NSCUHMNNSA-N
HMDB40272,124.088815006,C8H12O,CCCCC1=CC=CO1,"InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3",NWZIYQNUCXUJJJ,UHFFFAOYSA,N,2-Butylfuran,NWZIYQNUCXUJJJ-UHFFFAOYSA-N
HMDB40273,238.193280076,C15H26O2,CC(C)CC(=O)OC(C)(C)C1CCC(C)=CC1,"InChI=1S/C15H26O2/c1-11(2)10-14(16)17-15(4,5)13-8-6-12(3)7-9-13/h6,11,13H,7-10H2,1-5H3",XRADSECIALQFFY,UHFFFAOYSA,N,Terpenyl isovalerate,XRADSECIALQFFY-UHFFFAOYSA-N
HMDB40275,202.047738052,C8H10O6,CCOC(=O)\C=C(\CC(O)=O)C(O)=O,"InChI=1S/C8H10O6/c1-2-14-7(11)4-5(8(12)13)3-6(9)10/h4H,2-3H2,1H3,(H,9,10)(H,12,13)/b5-4-",ANIDMCPGEUWERH,PLNGDYQASA,N,Ethyl aconitate,ANIDMCPGEUWERH-PLNGDYQASA-N
HMDB40276,254.188194698,C15H26O3,CC1CCC2(O1)C(C)(C)CCCC2(C)OC(C)=O,"InChI=1S/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3",LTAWGWRPOGXHBD,UHFFFAOYSA,N,5-Acetoxydihydrotheaespirane,LTAWGWRPOGXHBD-UHFFFAOYSA-N
HMDB40277,110.073164942,C7H10O,CCCC1=CC=CO1,"InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3",CPLJMYOQYRCCBY,UHFFFAOYSA,N,2-Propylfuran,CPLJMYOQYRCCBY-UHFFFAOYSA-N
HMDB40278,110.073164942,C7H10O,CC(C)C1=CC=CO1,"InChI=1S/C7H10O/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3",AFOPCURQYRRFRQ,UHFFFAOYSA,N,2-Isopropylfuran,AFOPCURQYRRFRQ-UHFFFAOYSA-N
HMDB40279,116.083729628,C6H12O2,CC1OC(C)C(C)O1,"InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3",HLEXJAVJCZLRTH,UHFFFAOYSA,N,"2,4,5-Trimethyl-1,3-dioxolane",HLEXJAVJCZLRTH-UHFFFAOYSA-N
HMDB40280,124.0524295,C7H8O2,CCC(=O)C1=CC=CO1,"InChI=1S/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3",HCPORNAVHSWTOJ,UHFFFAOYSA,N,1-(2-Furanyl)-1-propanone,HCPORNAVHSWTOJ-UHFFFAOYSA-N
HMDB40281,238.193280076,C15H26O2,CCCCC(=O)OC\C=C(\C)CCC=C(C)C,"InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11-",CVSWGLSBJFKWMW,KAMYIIQDSA,N,Geranyl valerate,CVSWGLSBJFKWMW-KAMYIIQDSA-N
HMDB40282,830.320844168,C38H54O20,COC1=C(O)C=CC(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C38H54O20/c1-38(51,12-28(42)43)13-29(44)54-17-27-31(46)33(48)35(50)37(58-27)56-16-21(9-19-5-7-23(41)25(11-19)53-3)20(8-18-4-6-22(40)24(10-18)52-2)15-55-36-34(49)32(47)30(45)26(14-39)57-36/h4-7,10-11,20-21,26-27,30-37,39-41,45-51H,8-9,12-17H2,1-3H3,(H,42,43)",VGZBSVLZAQPYAD,UHFFFAOYSA,N,6'-HMG SDG,VGZBSVLZAQPYAD-UHFFFAOYSA-N
HMDB40283,974.363102912,C44H62O24,COC1=C(O)C=CC(CC(COC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)C(COC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C44H62O24/c1-43(59,13-31(47)48)15-33(51)63-19-29-35(53)37(55)39(57)41(67-29)65-17-23(9-21-5-7-25(45)27(11-21)61-3)24(10-22-6-8-26(46)28(12-22)62-4)18-66-42-40(58)38(56)36(54)30(68-42)20-64-34(52)16-44(2,60)14-32(49)50/h5-8,11-12,23-24,29-30,35-42,45-46,53-60H,9-10,13-20H2,1-4H3,(H,47,48)(H,49,50)",CGAGPGOQPRKZLJ,UHFFFAOYSA,N,"(8R,8'R)-Secoisolariciresinol 9,9'-bis-[4-carboxy-3-hydroxy-3-methylbutanoyl-(->6)-glucoside]",CGAGPGOQPRKZLJ-UHFFFAOYSA-N
HMDB40284,172.125200512,C13H16,CC1=CC2=C(C=C1)C(C)(C)CC=C2,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",RTUMCNDCAVLXEP,UHFFFAOYSA,N,"1,2-Dihydro-1,1,6-trimethylnaphthalene",RTUMCNDCAVLXEP-UHFFFAOYSA-N
HMDB40285,154.099379692,C9H14O2,COC(=O)CC\C=C\CC=C,"InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3,5-6H,1,4,7-8H2,2H3/b6-5+",WUNJOFRDOLDAOY,AATRIKPKSA,N,Anapear,WUNJOFRDOLDAOY-AATRIKPKSA-N
HMDB40286,238.099379692,C16H14O2,O=C(OCC1=CC=CC=C1)\C=C/C1=CC=CC=C1,"InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11-",NGHOLYJTSCBCGC,QXMHVHEDSA,N,Benzyl cinnamate,NGHOLYJTSCBCGC-QXMHVHEDSA-N
HMDB40287,178.099379692,C11H14O2,CCC(=O)OC(C)C1=CC=CC=C1,"InChI=1S/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",WCIQNYOXLZQQMU,UHFFFAOYSA,N,1-Phenylethyl propanoate,WCIQNYOXLZQQMU-UHFFFAOYSA-N
HMDB40288,257.072178663,C11H15NO4S,CCS(=O)(=O)CC1=C(OC(=O)NC)C=CC=C1,"InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",IOPTXXRNXCPJGO,UHFFFAOYSA,N,2-(Ethylsulfonylmethyl)phenyl methylcarbamate,IOPTXXRNXCPJGO-UHFFFAOYSA-N
HMDB40289,241.077264041,C11H15NO3S,CCS(=O)CC1=C(OC(=O)NC)C=CC=C1,"InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",OMOLDRXZKFFGJI,UHFFFAOYSA,N,2-(Ethylsulfinylmethyl)phenyl methylcarbamate,OMOLDRXZKFFGJI-UHFFFAOYSA-N
HMDB40290,340.334130652,C22H44O2,CCCCCCCCCCCCCCCCCC(=O)OCCCC,"InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3",ULBTUVJTXULMLP,UHFFFAOYSA,N,Butyl octadecanoate,ULBTUVJTXULMLP-UHFFFAOYSA-N
HMDB40291,432.251188884,C25H36O6,CC(C)C1=C2C3=CC=C(CC(OC4OCC(O)C(O)C4O)C3(C)CCC2(C)CC1)C=O,"InChI=1S/C25H36O6/c1-14(2)16-7-8-24(3)9-10-25(4)17(20(16)24)6-5-15(12-26)11-19(25)31-23-22(29)21(28)18(27)13-30-23/h5-6,12,14,18-19,21-23,27-29H,7-11,13H2,1-4H3",LPPCHLAEVDUIIW,UHFFFAOYSA,N,Erinacine A,LPPCHLAEVDUIIW-UHFFFAOYSA-N
HMDB40292,255.0523023,C9H10ClN5O2,[O-][N+](=O)\N=C1/NCCN1CC1=CC=C(Cl)N=C1,"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)",YWTYJOPNNQFBPC,UHFFFAOYSA,N,Imidacloprid,YWTYJOPNNQFBPC-UHFFFAOYSA-N
HMDB40293,472.100561482,C23H20O11,COC1=C(O)C=C(C=C1O)C(=O)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C23H20O11/c1-32-22-16(28)4-10(5-17(22)29)23(31)34-19-8-12-13(25)6-11(24)7-18(12)33-21(19)9-2-14(26)20(30)15(27)3-9/h2-7,19,21,24-30H,8H2,1H3/t19-,21-/m1/s1",BMJHAAZDURGGSC,TZIWHRDSSA,N,(-)-Epigallocatechin 3-(4-methyl-gallate),BMJHAAZDURGGSC-TZIWHRDSSA-N
HMDB40294,756.21129372,C33H40O20,CC1OC(OC2C(O)C(O)C(C)OC2OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)53-30-25(44)20(39)10(2)49-33(30)47-8-17-21(40)24(43)27(46)32(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3",ZKLZXRYXKRWGQP,UHFFFAOYSA,N,Quercetin 3-[rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside],ZKLZXRYXKRWGQP-UHFFFAOYSA-N
HMDB40295,158.13067982,C9H18O2,CCCCOC(=O)CCCC,"InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3",OKJADYKTJJGKDX,UHFFFAOYSA,N,Butyl pentanoate,OKJADYKTJJGKDX-UHFFFAOYSA-N
HMDB40296,144.115029756,C8H16O2,CCCCC(=O)OCCC,"InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3",ROJKPKOYARNFNB,UHFFFAOYSA,N,Propyl pentanoate,ROJKPKOYARNFNB-UHFFFAOYSA-N
HMDB40297,130.099379692,C7H14O2,CCCCC(=O)OCC,"InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3",ICMAFTSLXCXHRK,UHFFFAOYSA,N,Ethyl pentanoate,ICMAFTSLXCXHRK-UHFFFAOYSA-N
HMDB40298,144.115029756,C8H16O2,CCOC(=O)C(CC)CC,"InChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3",MJGSLNIPTRPYJV,UHFFFAOYSA,N,Ethyl 2-ethylbutanoate,MJGSLNIPTRPYJV-UHFFFAOYSA-N
HMDB40299,136.100048394,C8H12N2,CCC1=C(C)N=C(C)C=N1,"InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3",JZBCTZLGKSYRSF,UHFFFAOYSA,N,"2-Ethyl-3,5-dimethylpyrazine",JZBCTZLGKSYRSF-UHFFFAOYSA-N
HMDB40300,227.117095441,C12H13N5,CN1C(N)=NC2=CC3=C(N=C(C)C=N3)C(C)=C12,"InChI=1S/C12H13N5/c1-6-5-14-8-4-9-11(7(2)10(8)15-6)17(3)12(13)16-9/h4-5H,1-3H3,(H2,13,16)",ZSISUTCDDLFJLH,UHFFFAOYSA,N,"2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline",ZSISUTCDDLFJLH-UHFFFAOYSA-N
HMDB40303,328.094688244,C18H16O6,COC1=CC=C(\C=C2\OC3=CC(OC)=C(O)C(OC)=C3C2=O)C=C1,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)8-14-16(19)15-12(24-14)9-13(22-2)17(20)18(15)23-3/h4-9,20H,1-3H3/b14-8+",SDBGODOJRLLNSU,RIYZIHGNSA,N,"5-Hydroxy-4,4',6-trimethoxyaurone",SDBGODOJRLLNSU-RIYZIHGNSA-N
HMDB40304,352.094688244,C20H16O6,CC(C)=CC1OC2=C(C=CC(O)=C2)C2=C1C(=O)C1=C(O)C=C(O)C=C1O2,"InChI=1S/C20H16O6/c1-9(2)5-15-18-19(24)17-13(23)6-11(22)8-16(17)26-20(18)12-4-3-10(21)7-14(12)25-15/h3-8,15,21-23H,1-2H3",VHNPAPHWKVLGHG,UHFFFAOYSA,N,Cyclocommunol,VHNPAPHWKVLGHG-UHFFFAOYSA-N
HMDB40305,396.193674006,C24H28O5,CC(C)CC\C(C)=C\CC1=C(C=CC(O)=C1O)C1CC(=O)C2=C(O1)C=C(O)C=C2,"InChI=1S/C24H28O5/c1-14(2)4-5-15(3)6-8-18-17(10-11-20(26)24(18)28)23-13-21(27)19-9-7-16(25)12-22(19)29-23/h6-7,9-12,14,23,25-26,28H,4-5,8,13H2,1-3H3/b15-6+",XCUBCLPUFODHKK,GIDUJCDVSA,N,"(S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone",XCUBCLPUFODHKK-GIDUJCDVSA-N
HMDB40306,340.13107375,C20H20O5,CC(C)=CCC1=C(O)C=CC(C(=O)\C=C\C2=C(O)C=C(O)C=C2)=C1O,"InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+",NXBYIJSAISXPKJ,WEVVVXLNSA,N,Morachalcone A,NXBYIJSAISXPKJ-WEVVVXLNSA-N
HMDB40307,724.221464476,C33H40O18,CC1OC(OCC2OC(OC3=C(OC4=CC=CC=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O18/c1-11-19(36)23(40)26(43)31(46-11)45-10-18-22(39)25(42)30(51-32-27(44)24(41)20(37)12(2)47-32)33(49-18)50-29-21(38)14-5-3-4-6-17(14)48-28(29)13-7-8-15(34)16(35)9-13/h3-9,11-12,18-20,22-27,30-37,39-44H,10H2,1-2H3",ZOLZRMBQJLBHSS,UHFFFAOYSA,N,"3,3',4'-Trihydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->2)[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside]",ZOLZRMBQJLBHSS-UHFFFAOYSA-N
HMDB40308,332.125988372,C18H20O6,COC1=CC(=CC(O)=C1OC)C1CCC2=C(O1)C(O)=C(OC)C=C2,"InChI=1S/C18H20O6/c1-21-14-7-5-10-4-6-13(24-17(10)16(14)20)11-8-12(19)18(23-3)15(9-11)22-2/h5,7-9,13,19-20H,4,6H2,1-3H3",GOKBMBGIUIOXRB,UHFFFAOYSA,N,"5',8-Dihydroxy-3',4',7-trimethoxyflavan",GOKBMBGIUIOXRB-UHFFFAOYSA-N
HMDB40309,346.141638436,C19H22O6,COC1=CC(=CC(OC)=C1OC)C1CCC2=C(O1)C(O)=C(OC)C=C2,"InChI=1S/C19H22O6/c1-21-14-8-6-11-5-7-13(25-18(11)17(14)20)12-9-15(22-2)19(24-4)16(10-12)23-3/h6,8-10,13,20H,5,7H2,1-4H3",SAGNKCOQTWVSNK,UHFFFAOYSA,N,"8-Hydroxy-3',4',5',7-tetramethoxyflavan",SAGNKCOQTWVSNK-UHFFFAOYSA-N
HMDB40310,346.141638436,C19H22O6,COC1=CC(=CC(O)=C1OC)C1CCC2=C(O1)C(OC)=C(OC)C=C2,"InChI=1S/C19H22O6/c1-21-15-8-6-11-5-7-14(25-17(11)19(15)24-4)12-9-13(20)18(23-3)16(10-12)22-2/h6,8-10,14,20H,5,7H2,1-4H3",YZRKAZJVZYMSAE,UHFFFAOYSA,N,"5'-Hydroxy-3',4',7,8-tetramethoxyflavan",YZRKAZJVZYMSAE-UHFFFAOYSA-N
HMDB40311,360.1572885,C20H24O6,COC1=CC(=CC(OC)=C1OC)C1CCC2=C(O1)C(OC)=C(OC)C=C2,"InChI=1S/C20H24O6/c1-21-15-9-7-12-6-8-14(26-18(12)20(15)25-5)13-10-16(22-2)19(24-4)17(11-13)23-3/h7,9-11,14H,6,8H2,1-5H3",PAGHIDUEYGMXRM,UHFFFAOYSA,N,"3',4',5',7,8-Pentamethoxyflavan",PAGHIDUEYGMXRM-UHFFFAOYSA-N
HMDB40312,396.193674006,C24H28O5,CC(C)CC\C(C)=C/CC1=C2OC(CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1,"InChI=1S/C24H28O5/c1-14(2)4-5-15(3)6-11-18-19(26)12-20(27)23-21(28)13-22(29-24(18)23)16-7-9-17(25)10-8-16/h6-10,12,14,22,25-27H,4-5,11,13H2,1-3H3/b15-6-",UUTNYYVTIPFXOI,UUASQNMZSA,N,"(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4',5,7-trihydroxyflavanone",UUTNYYVTIPFXOI-UUASQNMZSA-N
HMDB40313,326.115423686,C19H18O5,CC(C)(O)C1CC2=C(O1)C=C1OC(=CC1=C2)C1=CC(O)=CC(O)=C1,"InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3",HMTMYIWMPJSCAZ,UHFFFAOYSA,N,Moracin O,HMTMYIWMPJSCAZ-UHFFFAOYSA-N
HMDB40314,288.063388116,C15H12O6,OC1=CC=C(C=C1)C1(O)CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)15(20)7-12(19)14-11(18)5-10(17)6-13(14)21-15/h1-6,16-18,20H,7H2",NFENYLPEYDNIMO,UHFFFAOYSA,N,"2,4',5,7-Tetrahydroxyflavanone",NFENYLPEYDNIMO-UHFFFAOYSA-N
HMDB40315,326.115423686,C19H18O5,CC1(C)OC2=C(CC1O)C=C1C=C(OC1=C2)C1=CC(O)=CC(O)=C1,"InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3",QFUCSEIKNTUPPA,UHFFFAOYSA,N,Moracin P,QFUCSEIKNTUPPA-UHFFFAOYSA-N
HMDB40316,302.07903818,C16H14O6,COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC(O)=CC(O)=C1,"InChI=1S/C16H14O6/c1-21-11-5-12(19)16-13(20)7-14(22-15(16)6-11)8-2-9(17)4-10(18)3-8/h2-6,14,17-19H,7H2,1H3",YEYLMQKEGSQNGZ,UHFFFAOYSA,N,Blumeatin,YEYLMQKEGSQNGZ-UHFFFAOYSA-N
HMDB40317,408.193674006,C25H28O5,CC(C)=CCC\C(C)=C/CC1=C(C=CC(O)=C1O)C1CC(=O)C2=C(O1)C=C(O)C=C2,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-9-19-18(11-12-21(27)25(19)29)24-14-22(28)20-10-8-17(26)13-23(20)30-24/h5,7-8,10-13,24,26-27,29H,4,6,9,14H2,1-3H3/b16-7-",RCYMAXCAVMNZBM,APSNUPSMSA,N,"(E)-2'-Geranyl-3',4',7-trihydroxyflavanone",RCYMAXCAVMNZBM-APSNUPSMSA-N
HMDB40318,662.23632668,C36H38O12,COC1=CC(=CC(O)=C1OC)C1CCC2=C(O1)C(O)=C(OC)C=C2C1=CC(OC)=C(O)C2=C1CCC(O2)C1=CC(O)=C(OC)C(OC)=C1,"InChI=1S/C36H38O12/c1-41-27-15-21(19-7-9-25(47-33(19)31(27)39)17-11-23(37)35(45-5)29(13-17)43-3)22-16-28(42-2)32(40)34-20(22)8-10-26(48-34)18-12-24(38)36(46-6)30(14-18)44-4/h11-16,25-26,37-40H,7-10H2,1-6H3",GBQSWSKEZIAPTN,UHFFFAOYSA,N,"5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan",GBQSWSKEZIAPTN-UHFFFAOYSA-N
HMDB40319,676.251976744,C37H40O12,COC1=CC(=CC(O)=C1OC)C1CCC2=C(O1)C(O)=C(OC)C=C2C1=CC(OC)=C(O)C2=C1CCC(O2)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C37H40O12/c1-41-27-16-22(20-8-10-25(48-34(20)32(27)39)18-12-24(38)36(46-6)29(13-18)43-3)23-17-28(42-2)33(40)35-21(23)9-11-26(49-35)19-14-30(44-4)37(47-7)31(15-19)45-5/h12-17,25-26,38-40H,8-11H2,1-7H3",BXMDPVWZQNENII,UHFFFAOYSA,N,"5',8,8''-Trihydroxy-3',3''',4',4''',5''',7',7''-heptamethoxy-5,5''-biflavan",BXMDPVWZQNENII-UHFFFAOYSA-N
HMDB40320,332.089602866,C17H16O7,COC1=CC=C(C=C1)C1OC2=C(C(=O)C1O)C(O)=C(OC)C(O)=C2,"InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,15-16,18,20-21H,1-2H3",MEROIHPPFMVPPD,UHFFFAOYSA,N,"3,5,7-Trihydroxy-4',6-dimethoxyflavanone",MEROIHPPFMVPPD-UHFFFAOYSA-N
HMDB40321,344.089602866,C18H16O7,COC1=CC(=CC(O)=C1OC)C1=CC(=O)C2=C(O1)C(O)=C(OC)C=C2,"InChI=1S/C18H16O7/c1-22-13-5-4-10-11(19)8-14(25-17(10)16(13)21)9-6-12(20)18(24-3)15(7-9)23-2/h4-8,20-21H,1-3H3",RHXKHTYRDAJUEZ,UHFFFAOYSA,N,"3',8-Dihydroxy-4',5',7-trimethoxyflavone",RHXKHTYRDAJUEZ-UHFFFAOYSA-N
HMDB40322,358.10525293,C19H18O7,COC1=CC(=CC(O)=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2,"InChI=1S/C19H18O7/c1-22-14-6-5-11-12(20)9-15(26-17(11)19(14)25-4)10-7-13(21)18(24-3)16(8-10)23-2/h5-9,21H,1-4H3",LCFAQXHDTREUOX,UHFFFAOYSA,N,"3'-Hydroxy-4',5',7,8-tetramethoxyflavone",LCFAQXHDTREUOX-UHFFFAOYSA-N
HMDB40323,372.120902994,C20H20O7,COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2,"InChI=1S/C20H20O7/c1-22-14-7-6-12-13(21)10-15(27-18(12)20(14)26-5)11-8-16(23-2)19(25-4)17(9-11)24-3/h6-10H,1-5H3",IQXUAKMLDBLFJK,UHFFFAOYSA,N,"3',4',5',7,8-Pentamethoxyflavone",IQXUAKMLDBLFJK-UHFFFAOYSA-N
HMDB40324,364.152203122,C19H24O7,COC1=C(O)C=CC(=C1)C(O)C(CO)OC1=C(O)C=C(CCCO)C=C1,"InChI=1S/C19H24O7/c1-25-17-10-13(5-6-14(17)22)19(24)18(11-21)26-16-7-4-12(3-2-8-20)9-15(16)23/h4-7,9-10,18-24H,2-3,8,11H2,1H3",KMYQEVOSRSCASE,UHFFFAOYSA,N,"(7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan",KMYQEVOSRSCASE-UHFFFAOYSA-N
HMDB40325,496.194461866,C24H32O11,COC1=C(OC2OCC(O)C(O)C2O)C=CC(=C1)C(O)C(CO)OC1=C(O)C=C(CCCO)C=C1,"InChI=1S/C24H32O11/c1-32-19-10-14(5-7-18(19)35-24-23(31)22(30)16(28)12-33-24)21(29)20(11-26)34-17-6-4-13(3-2-8-25)9-15(17)27/h4-7,9-10,16,20-31H,2-3,8,11-12H2,1H3",XBHWAKRDNVCHEC,UHFFFAOYSA,N,"(7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan 4-xyloside",XBHWAKRDNVCHEC-UHFFFAOYSA-N
HMDB40326,190.062994186,C11H10O3,CC1=CC(=O)C2=C(O1)C=C(O)C=C2C,"InChI=1S/C11H10O3/c1-6-3-8(12)5-10-11(6)9(13)4-7(2)14-10/h3-5,12H,1-2H3",CRNGFKXWIYTEPH,UHFFFAOYSA,N,"7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one",CRNGFKXWIYTEPH-UHFFFAOYSA-N
HMDB40327,116.083729628,C6H12O2,CCCCCOC=O,"InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3",DIQMPQMYFZXDAX,UHFFFAOYSA,N,Pentyl formate,DIQMPQMYFZXDAX-UHFFFAOYSA-N
HMDB40328,114.068079564,C6H10O2,COC(=O)CCC=C,"InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H3",SHCSFZHSNSGTOP,UHFFFAOYSA,N,Methyl 4-pentenoate,SHCSFZHSNSGTOP-UHFFFAOYSA-N
HMDB40329,188.141244506,C10H20O3,CCCCCC(O)CCCC(O)=O,"InChI=1S/C10H20O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)",LMHJFKYQYDSOQO,UHFFFAOYSA,N,xi-5-Hydroxydecanoic acid,LMHJFKYQYDSOQO-UHFFFAOYSA-N
HMDB40330,170.13067982,C10H18O2,CC(C)C1CCC(C)CC(=O)O1,"InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3",GGAXPLCKKANQED,UHFFFAOYSA,N,Menthone lactone,GGAXPLCKKANQED-UHFFFAOYSA-N
HMDB40331,115.045569983,C5H9NS,CC1SCC(C)=N1,"InChI=1S/C5H9NS/c1-4-3-7-5(2)6-4/h5H,3H2,1-2H3",PLOCKLWJINZHTI,UHFFFAOYSA,N,"xi-2,5-Dihydro-2,4-dimethylthiazole",PLOCKLWJINZHTI-UHFFFAOYSA-N
HMDB40332,191.080240929,C8H17NS2,CC(C)C1NC(C)SC(C)S1,"InChI=1S/C8H17NS2/c1-5(2)8-9-6(3)10-7(4)11-8/h5-9H,1-4H3",NOOYZCFJVKLILW,UHFFFAOYSA,N,"Dihydro-6-isopropyl-2,4-dimethyl-4H-1,3,5-dithiazine",NOOYZCFJVKLILW-UHFFFAOYSA-N
HMDB40333,191.080240929,C8H17NS2,CC(C)C1SC(C)NC(C)S1,"InChI=1S/C8H17NS2/c1-5(2)8-10-6(3)9-7(4)11-8/h5-9H,1-4H3",ZNOHVVXGIQIPAU,UHFFFAOYSA,N,"Dihydro-4,6-dimethyl-2-(1-methylethyl)-4H-1,3,5-dithiazine",ZNOHVVXGIQIPAU-UHFFFAOYSA-N
HMDB40334,205.095890993,C9H19NS2,CC(C)CC1NC(C)SC(C)S1,"InChI=1S/C9H19NS2/c1-6(2)5-9-10-7(3)11-8(4)12-9/h6-10H,5H2,1-4H3",TWYULKMKVIUSSQ,UHFFFAOYSA,N,"Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazine",TWYULKMKVIUSSQ-UHFFFAOYSA-N
HMDB40335,205.095890993,C9H19NS2,CC(C)CC1SC(C)NC(C)S1,"InChI=1S/C9H19NS2/c1-6(2)5-9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3",FVPPILNIVWRBNY,UHFFFAOYSA,N,"Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine",FVPPILNIVWRBNY-UHFFFAOYSA-N
HMDB40336,205.095890993,C9H19NS2,CCC(C)C1NC(C)SC(C)S1,"InChI=1S/C9H19NS2/c1-5-6(2)9-10-7(3)11-8(4)12-9/h6-10H,5H2,1-4H3",WONMKWKUDGYZEA,UHFFFAOYSA,N,"Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine",WONMKWKUDGYZEA-UHFFFAOYSA-N
HMDB40337,205.095890993,C9H19NS2,CCC(C)C1SC(C)NC(C)S1,"InChI=1S/C9H19NS2/c1-5-6(2)9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3",BLDFHTPIEUHZJY,UHFFFAOYSA,N,"Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4H-1,3,5-dithiazine",BLDFHTPIEUHZJY-UHFFFAOYSA-N
HMDB40338,138.10446507,C9H14O,CC1=CC(C)(C)CC(=O)C1,"InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3",LKOKKQDYMZUSCG,UHFFFAOYSA,N,"3,5,5-Trimethyl-3-cyclohexen-1-one",LKOKKQDYMZUSCG-UHFFFAOYSA-N
HMDB40339,112.088815006,C7H12O,C\C=C/C\C=C\CO,"InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,5-6,8H,4,7H2,1H3/b3-2-,6-5+",ZKKRKBOEKNOTPX,NDEAWQBTSA,N,"2,5-Heptadien-1-ol",ZKKRKBOEKNOTPX-NDEAWQBTSA-N
HMDB40340,152.094963016,C8H12N2O,COC1=NC=CN=C1C(C)C,"InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3",NTOPKICPEQUPPH,UHFFFAOYSA,N,2-Isopropyl-3-methoxypyrazine,NTOPKICPEQUPPH-UHFFFAOYSA-N
HMDB40341,756.247679226,C34H44O19,CC1OC(OC2C(O)C(OCCC3=CC(O)=C(O)C=C3)OC(CO)C2OC(=O)\C=C/C2=CC(O)=C(O)C=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O,"InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4-",UDHCHDJLZGYDDM,DAXSKMNVSA,N,Lavandulifolioside,UDHCHDJLZGYDDM-DAXSKMNVSA-N
HMDB40342,770.26332929,C35H46O19,COC1=C(O)C=CC(\C=C/C(=O)OC2C(CO)OC(OCCC3=CC(O)=C(O)C=C3)C(O)C2OC2OC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)=C1,"InChI=1S/C35H46O19/c1-15-25(42)27(44)32(54-33-28(45)26(43)21(40)14-49-33)35(50-15)53-31-29(46)34(48-10-9-17-3-6-18(37)20(39)11-17)51-23(13-36)30(31)52-24(41)8-5-16-4-7-19(38)22(12-16)47-2/h3-8,11-12,15,21,23,25-40,42-46H,9-10,13-14H2,1-2H3/b8-5-",ZPJGTPAAEPXBQT,YVMONPNESA,N,Leonoside A,ZPJGTPAAEPXBQT-YVMONPNESA-N
HMDB40343,784.278979354,C36H48O19,COC1=C(O)C=C(CCOC2OC(CO)C(OC(=O)\C=C/C3=CC(OC)=C(O)C=C3)C(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C=C1,"InChI=1S/C36H48O19/c1-16-26(42)28(44)33(55-34-29(45)27(43)21(40)15-50-34)36(51-16)54-32-30(46)35(49-11-10-18-5-8-22(47-2)20(39)12-18)52-24(14-37)31(32)53-25(41)9-6-17-4-7-19(38)23(13-17)48-3/h4-9,12-13,16,21,24,26-40,42-46H,10-11,14-15H2,1-3H3/b9-6-",ZIPURHYPGUGDEP,TWGQIWQCSA,N,Leonoside B,ZIPURHYPGUGDEP-TWGQIWQCSA-N
HMDB40344,360.084517488,C18H16O8,COC1=C(O)C(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C18H16O8/c1-23-9-5-4-8(6-10(9)24-2)18-17(22)16(21)13-11(26-18)7-12(25-3)14(19)15(13)20/h4-7,19-20,22H,1-3H3",CZPFBNZMODZHIK,UHFFFAOYSA,N,"3,5,6-Trihydroxy-3',4',7-trimethoxyflavone",CZPFBNZMODZHIK-UHFFFAOYSA-N
HMDB40345,74.019020882,C3H6S,C\C=C\S,"InChI=1S/C3H6S/c1-2-3-4/h2-4H,1H3/b3-2+",RIZGKEIRSQLIBK,NSCUHMNNSA,N,1-Propene-1-thiol,RIZGKEIRSQLIBK-NSCUHMNNSA-N
HMDB40346,90.013935504,C3H6OS,CCC=S=O,"InChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3",BAZSXBOAXJLRNH,UHFFFAOYSA,N,Thial-1-Propene-1-thiol S-oxide,BAZSXBOAXJLRNH-UHFFFAOYSA-N
HMDB40347,102.05032101,C5H10S,CC\C(C)=C\S,"InChI=1S/C5H10S/c1-3-5(2)4-6/h4,6H,3H2,1-2H3/b5-4+",JNZXLHOIKNISCY,SNAWJCMRSA,N,2-Methyl-1-propenethiol,JNZXLHOIKNISCY-SNAWJCMRSA-N
HMDB40348,178.084991956,C8H18S2,SCCCCCCCCS,"InChI=1S/C8H18S2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2",PGTWZHXOSWQKCY,UHFFFAOYSA,N,"1,8-Octanedithiol",PGTWZHXOSWQKCY-UHFFFAOYSA-N
HMDB40350,378.146723814,C23H22O5,CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C(O)=C2)C(=O)C2=C(O1)C(O)=CC=C2,"InChI=1S/C23H22O5/c1-13(2)6-5-10-23(3)11-9-14-18(28-23)12-17(25)19-20(26)15-7-4-8-16(24)21(15)27-22(14)19/h4,6-9,11-12,24-25H,5,10H2,1-3H3",LVANTWLBTIEHSX,UHFFFAOYSA,N,"6,11-Dihydroxy-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2,3-c]xanthen-7-one",LVANTWLBTIEHSX-UHFFFAOYSA-N
HMDB40351,380.162373878,C23H24O5,CC(C)=CCC\C(C)=C/CC1=C2OC3=C(C=CC=C3O)C(=O)C2=C(O)C=C1O,"InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19(26)20-21(27)16-8-5-9-17(24)22(16)28-23(15)20/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10-",PCKHKINJZFNYEO,UVTDQMKNSA,N,"(E)-4-(3,7-Dimethyl-2,6-octadienyl)-1,3,5-trihydroxyxanthone",PCKHKINJZFNYEO-UVTDQMKNSA-N
HMDB40352,256.13107375,C13H20O5,COC1=CC(CCCO)=CC=C1OC(CO)CO,"InChI=1S/C13H20O5/c1-17-13-7-10(3-2-6-14)4-5-12(13)18-11(8-15)9-16/h4-5,7,11,14-16H,2-3,6,8-9H2,1H3",WAPGRPJEBCULTQ,UHFFFAOYSA,N,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol",WAPGRPJEBCULTQ-UHFFFAOYSA-N
HMDB40353,418.18389718,C19H30O10,COC1=C(OC(CO)COC2OC(CO)C(O)C(O)C2O)C=CC(CCCO)=C1,"InChI=1S/C19H30O10/c1-26-14-7-11(3-2-6-20)4-5-13(14)28-12(8-21)10-27-19-18(25)17(24)16(23)15(9-22)29-19/h4-5,7,12,15-25H,2-3,6,8-10H2,1H3",LRRKTNFBBSNZEN,UHFFFAOYSA,N,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside",LRRKTNFBBSNZEN-UHFFFAOYSA-N
HMDB40354,312.099773622,C18H16O5,CC(C)=CCC1=CC(O)=C2C(=O)C3=C(OC2=C1O)C(O)=CC=C3,"InChI=1S/C18H16O5/c1-9(2)6-7-10-8-13(20)14-16(22)11-4-3-5-12(19)17(11)23-18(14)15(10)21/h3-6,8,19-21H,7H2,1-2H3",BRVVGOBMRRGKCK,UHFFFAOYSA,N,"1,4,5-Trihydroxy-3-prenylxanthone",BRVVGOBMRRGKCK-UHFFFAOYSA-N
HMDB40355,386.136553058,C21H22O7,COC1=C(O)C=CC(\C=C/C(=O)CC(=O)CC(O)C2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C21H22O7/c1-27-20-9-13(4-7-17(20)24)3-6-15(22)11-16(23)12-19(26)14-5-8-18(25)21(10-14)28-2/h3-10,19,24-26H,11-12H2,1-2H3/b6-3-",NKDVMZOMVJQUDC,UTCJRWHESA,N,"7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione",NKDVMZOMVJQUDC-UTCJRWHESA-N
HMDB40356,178.099379692,C11H14O2,COC1=CC(OC)=C(CC=C)C=C1,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)8-11(9)13-3/h4,6-8H,1,5H2,2-3H3",HZLYHZSHPUFYAR,UHFFFAOYSA,N,Osmorhizole,HZLYHZSHPUFYAR-UHFFFAOYSA-N
HMDB40357,310.084123558,C18H14O5,CC1(C)OC2=C3OC4=C(C=CC=C4O)C(=O)C3=C(O)C=C2C=C1,"InChI=1S/C18H14O5/c1-18(2)7-6-9-8-12(20)13-14(21)10-4-3-5-11(19)16(10)22-17(13)15(9)23-18/h3-8,19-20H,1-2H3",FPDAJKRMMGCXCC,UHFFFAOYSA,N,"6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one",FPDAJKRMMGCXCC-UHFFFAOYSA-N
HMDB40358,218.094294314,C13H14O3,CC(=O)C1=CC2=C(OC(C2)C(=C)CO)C=C1,"InChI=1S/C13H14O3/c1-8(7-14)13-6-11-5-10(9(2)15)3-4-12(11)16-13/h3-5,13-14H,1,6-7H2,2H3",JRWKMIYLVXKKAN,UHFFFAOYSA,N,(R)-Bitalin A,JRWKMIYLVXKKAN-UHFFFAOYSA-N
HMDB40359,164.083729628,C10H12O2,COC1=C(OC)C=C(C=C)C=C1,"InChI=1S/C10H12O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h4-7H,1H2,2-3H3",NJXYTXADXSRFTJ,UHFFFAOYSA,N,"1,2-Dimethoxy-4-vinylbenzene",NJXYTXADXSRFTJ-UHFFFAOYSA-N
HMDB40360,123.068413915,C7H9NO,CN1C=CC=C1C(C)=O,"InChI=1S/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H3",NZFLWVDXYUGFAV,UHFFFAOYSA,N,2-Acetyl-1-methylpyrrole,NZFLWVDXYUGFAV-UHFFFAOYSA-N
HMDB40361,198.161979948,C12H22O2,COC(OC)\C=C(\C)CCC=C(C)C,"InChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9-",ZSKAJFSSXURRGL,LUAWRHEFSA,N,"1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene",ZSKAJFSSXURRGL-LUAWRHEFSA-N
HMDB40367,308.116092388,C18H16N2O3,CN1C2=CN=CC=C2C(=O)C2=C1C1=C(OC(C)(C)C=C1)C=C2O,"InChI=1S/C18H16N2O3/c1-18(2)6-4-11-14(23-18)8-13(21)15-16(11)20(3)12-9-19-7-5-10(12)17(15)22/h4-9,21H,1-3H3",GSYTWFSUSXURDO,UHFFFAOYSA,N,Azacridone A,GSYTWFSUSXURDO-UHFFFAOYSA-N
HMDB40368,309.172878985,C20H23NO2,CN1C(=O)C2=C(OC(C)(CCC=C(C)C)C=C2)C2=CC=CC=C12,"InChI=1S/C20H23NO2/c1-14(2)8-7-12-20(3)13-11-16-18(23-20)15-9-5-6-10-17(15)21(4)19(16)22/h5-6,8-11,13H,7,12H2,1-4H3",VMCDFWKTDCXEJZ,UHFFFAOYSA,N,Zanthosimuline,VMCDFWKTDCXEJZ-UHFFFAOYSA-N
HMDB40369,325.167793607,C20H23NO3,CC(C)C(=O)CCC1(C)OC2=C(C=C1)C(=O)N(C)C1=CC=CC=C21,"InChI=1S/C20H23NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13H,10,12H2,1-4H3",NYATVLNHGXEKDI,UHFFFAOYSA,N,Huajiaosimuline,NYATVLNHGXEKDI-UHFFFAOYSA-N
HMDB40370,624.247166138,C36H36N2O8,COC1=CC(\C=C\C(=O)NCCC2=CC=C(O)C=C2)=CC2=C1OC(C2C(=O)NCCC1=CC=C(O)C=C1)C1=CC(OC)=C(O)C=C1,"InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+",DROXVBRNXCRUHP,VGOFMYFVSA,N,Grossamide,DROXVBRNXCRUHP-VGOFMYFVSA-N
HMDB40371,626.148299534,C27H30O17,OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O,"InChI=1S/C27H30O17/c28-6-12-15(33)18(36)20(38)26(40-12)43-23-11(32)5-10(31)14-17(35)25(22(42-24(14)23)8-1-3-9(30)4-2-8)44-27-21(39)19(37)16(34)13(7-29)41-27/h1-5,12-13,15-16,18-21,26-34,36-39H,6-7H2",VMOKZQAQPBUNRW,UHFFFAOYSA,N,"Herbacetin 3,8-diglucoside",VMOKZQAQPBUNRW-UHFFFAOYSA-N
HMDB40372,756.247679226,C34H44O19,COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1,"InChI=1S/C34H44O19/c1-11-23(38)26(41)29(44)32(48-11)47-10-21-25(40)28(43)31(53-33-30(45)27(42)24(39)12(2)49-33)34(52-21)50-14-7-16(36)22-17(37)9-19(51-20(22)8-14)13-4-5-18(46-3)15(35)6-13/h4-8,11-12,19,21,23-36,38-45H,9-10H2,1-3H3",LMWHBZYEUQWDBE,UHFFFAOYSA,N,"Hesperetin 7-(2,6-dirhamnosylglucoside)",LMWHBZYEUQWDBE-UHFFFAOYSA-N
HMDB40373,246.198365454,C17H26O,CCCCCCC\C=C\CC#C\C=C\C(O)C=C,"InChI=1S/C17H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,15-18H,2-3,5-9,12H2,1H3/b11-10+,16-15+",AZYMFOSYSFSUMW,QLJIQFCGSA,N,Ginsenoyne J,AZYMFOSYSFSUMW-QLJIQFCGSA-N
HMDB40374,262.193280076,C17H26O2,CCCCCCCC1OC1CC#C\C=C/C(O)C=C,"InChI=1S/C17H26O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,9,12,15-18H,2-3,5-7,10,13-14H2,1H3/b12-9-",AOXSLJSDFVRCQA,XFXZXTDPSA,N,Ginsenoyne I,AOXSLJSDFVRCQA-XFXZXTDPSA-N
HMDB40375,276.172544634,C17H24O3,CCCCCCCC(OO)\C=C\C#CC#CC(O)C=C,"InChI=1S/C17H24O3/c1-3-5-6-7-11-14-17(20-19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12+",SYNBBWLEYQBFQT,NTCAYCPXSA,N,Ginsenoyne K,SYNBBWLEYQBFQT-NTCAYCPXSA-N
HMDB40376,198.23475096,C14H30,CCCCCCCCC(C)CC(C)C,"InChI=1S/C14H30/c1-5-6-7-8-9-10-11-14(4)12-13(2)3/h13-14H,5-12H2,1-4H3",AFELDWXNIFIYOC,UHFFFAOYSA,N,"2,4-Dimethyldodecane",AFELDWXNIFIYOC-UHFFFAOYSA-N
HMDB40377,224.214015518,C15H28O,CCCCCCCCCCC\C=C\CC=O,"InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h12-13,15H,2-11,14H2,1H3/b13-12+",CLUQHDODXPPERO,OUKQBFOZSA,N,3-Pentadecenal,CLUQHDODXPPERO-OUKQBFOZSA-N
HMDB40378,914.190558278,C45H38O21,O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C([C@H]1[C@H](O)[C@H](OC3=C1C(O)=CC(O)=C3[C@H]1[C@H](O)[C@H](OC3=C1C(O)=CC(O)=C3)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O,"InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34-,35+,39-,40-,41+,42+,43+/m0/s1",NVTLDVSBUJGIAD,QHBXHTPSSA,N,Gallocatechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin,NVTLDVSBUJGIAD-QHBXHTPSSA-N
HMDB40379,618.236601452,C37H34N2O7,COC1=CC=CC2=C1N(C)C(=O)C1=C2OC(C)(CC2N(C)C3=C(C=CC4=CC5=C(OCO5)C=C34)C3=C2C(OC)=C(OC)C=C3)C=C1,"InChI=1S/C37H34N2O7/c1-37(15-14-24-34(46-37)23-8-7-9-27(41-4)33(23)39(3)36(24)40)18-26-31-21(12-13-28(42-5)35(31)43-6)22-11-10-20-16-29-30(45-19-44-29)17-25(20)32(22)38(26)2/h7-17,26H,18-19H2,1-6H3",NUVWARFQHKLGOS,UHFFFAOYSA,N,Simulanoquinoline,NUVWARFQHKLGOS-UHFFFAOYSA-N
HMDB40380,241.110278729,C15H15NO2,COC1=C(\C=C\C(C)=C)C(=O)NC2=C1C=CC=C2,"InChI=1S/C15H15NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-9H,1H2,2-3H3,(H,16,17)/b9-8+",KOFVUVJGUULEKJ,CMDGGOBGSA,N,Schinifoline,KOFVUVJGUULEKJ-CMDGGOBGSA-N
HMDB40381,255.125928793,C16H17NO2,COC1=C(\C=C\C(C)=C)C(=O)N(C)C2=CC=CC=C12,"InChI=1S/C16H17NO2/c1-11(2)9-10-13-15(19-4)12-7-5-6-8-14(12)17(3)16(13)18/h5-10H,1H2,2-4H3/b10-9+",KUJRJLUCKWRGPV,MDZDMXLPSA,N,N-Methylschinifoline,KUJRJLUCKWRGPV-MDZDMXLPSA-N
HMDB40382,271.084457909,C15H13NO4,COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1)N2C,"InChI=1S/C15H13NO4/c1-16-11-5-8(17)3-4-10(11)15(19)14-12(16)6-9(20-2)7-13(14)18/h3-7,17-18H,1-2H3",ULFQWNWPHHCZAJ,UHFFFAOYSA,N,Pummeline,ULFQWNWPHHCZAJ-UHFFFAOYSA-N
HMDB40383,315.194677059,C18H25N3O2,CC1=C\C(NC1=O)=C/CCCN1CCCCC11NC(=O)C(C)=C1,"InChI=1S/C18H25N3O2/c1-13-11-15(19-16(13)22)7-3-5-9-21-10-6-4-8-18(21)12-14(2)17(23)20-18/h7,11-12H,3-6,8-10H2,1-2H3,(H,19,22)(H,20,23)/b15-7+",YMXRBZVJOJYAFJ,VIZOYTHASA,N,(±)-Pandamarine,YMXRBZVJOJYAFJ-VIZOYTHASA-N
HMDB40384,681.293781979,C40H43NO9,COC1=C(OC)C2=C(C=C1)C(=O)C1=C(N2)C(C2CC(C)(C)OC3=C2C(O)=C2C=C(C(=O)OC2=C3C(C)(C)C=C)C(C)(C)C=C)=C(OC)C=C1O,"InChI=1S/C40H43NO9/c1-12-38(3,4)22-16-20-33(44)27-21(18-40(7,8)50-36(27)29(39(5,6)13-2)34(20)49-37(22)45)26-25(47-10)17-23(42)28-31(26)41-30-19(32(28)43)14-15-24(46-9)35(30)48-11/h12-17,21,42,44H,1-2,18H2,3-11H3,(H,41,43)",MHPPNTXKFWUDIA,UHFFFAOYSA,N,Neoacrimarine A,MHPPNTXKFWUDIA-UHFFFAOYSA-N
HMDB40385,667.278131915,C39H41NO9,COC1=C(C2CC(C)(C)OC3=C2C(O)=C2C=C(C(=O)OC2=C3C(C)(C)C=C)C(C)(C)C=C)C2=C(C(O)=C1)C(=O)C1=C(N2)C(OC)=C(O)C=C1,"InChI=1S/C39H41NO9/c1-11-37(3,4)21-15-19-32(44)26-20(17-39(7,8)49-35(26)28(38(5,6)12-2)33(19)48-36(21)45)25-24(46-9)16-23(42)27-30(25)40-29-18(31(27)43)13-14-22(41)34(29)47-10/h11-16,20,41-42,44H,1-2,17H2,3-10H3,(H,40,43)",LOTKMARBSZKWMQ,UHFFFAOYSA,N,Neoacrimarine B,LOTKMARBSZKWMQ-UHFFFAOYSA-N
HMDB40386,595.220617037,C35H33NO8,COC1=C(C=C2C=CC(=O)OC2=C1)C(C=C(C)C)C1=C(O)C2=C(N(C)C3=C(C=CC(O)=C3OC)C2=O)C2=C1OC(C)(C)C=C2,"InChI=1S/C35H33NO8/c1-17(2)14-22(21-15-18-8-11-26(38)43-24(18)16-25(21)41-6)27-32(40)28-29(20-12-13-35(3,4)44-33(20)27)36(5)30-19(31(28)39)9-10-23(37)34(30)42-7/h8-16,22,37,40H,1-7H3",ZWXOIPZATSFFPY,UHFFFAOYSA,N,Acrimarine J,ZWXOIPZATSFFPY-UHFFFAOYSA-N
HMDB40387,565.210052351,C34H31NO7,COC1=C(C=C2C=CC(=O)OC2=C1)C(C=C(C)C)C1=C(O)C2=C(N(C)C3=C(C=CC=C3O)C2=O)C2=C1OC(C)(C)C=C2,"InChI=1S/C34H31NO7/c1-17(2)14-22(21-15-18-10-11-26(37)41-24(18)16-25(21)40-6)27-32(39)28-30(20-12-13-34(3,4)42-33(20)27)35(5)29-19(31(28)38)8-7-9-23(29)36/h7-16,22,36,39H,1-6H3",GSUYTELQWICLMF,UHFFFAOYSA,N,Acrimarine I,GSUYTELQWICLMF-UHFFFAOYSA-N
HMDB40388,344.162373878,C20H24O5,CC(C)C1=C(O)C(=O)C2=C(C3CC4C(C)(C)CCCC24C(=O)O3)C1=O,"InChI=1S/C20H24O5/c1-9(2)12-15(21)13-10-8-11-19(3,4)6-5-7-20(11,18(24)25-10)14(13)17(23)16(12)22/h9-11,22H,5-8H2,1-4H3",ZGIOOTXNBWWRKD,UHFFFAOYSA,N,Columbaridione,ZGIOOTXNBWWRKD-UHFFFAOYSA-N
HMDB40389,434.266838948,C25H38O6,CC(C)C1=C2C3CC=C(CO)C4OC5C(O)C(O)COC5OC4C3(C)CCC2(C)CC1,"InChI=1S/C25H38O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,13,16-17,19-23,26-28H,6-12H2,1-4H3",DMPGFSQMXITJPT,UHFFFAOYSA,N,Erinacine C,DMPGFSQMXITJPT-UHFFFAOYSA-N
HMDB40390,432.251188884,C25H36O6,CC(C)C1=C2C3CC=C(C=O)C4OC5C(O)C(O)COC5OC4C3(C)CCC2(C)CC1,"InChI=1S/C25H36O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,11,13,16-17,19-23,27-28H,6-10,12H2,1-4H3",BEECYWPPXWUPIT,UHFFFAOYSA,N,Erinacine B,BEECYWPPXWUPIT-UHFFFAOYSA-N
HMDB40391,488.350174646,C30H48O5,CC(C)(O)C1C2CC3(C1C1CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CC3O)C(=O)O2,"InChI=1S/C30H48O5/c1-25(2)18-10-13-28(6)19(27(18,5)12-11-20(25)31)9-8-16-22-23(26(3,4)34)17-14-30(22,24(33)35-17)21(32)15-29(16,28)7/h16-23,31-32,34H,8-15H2,1-7H3",TUGGKIJIUJBTCO,UHFFFAOYSA,N,16beta-Hydroxystellatogenin,TUGGKIJIUJBTCO-UHFFFAOYSA-N
HMDB40392,270.255880332,C17H34O2,CCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3",AXISYYRBXTVTFY,UHFFFAOYSA,N,Isopropyl tetradecanoate,AXISYYRBXTVTFY-UHFFFAOYSA-N
HMDB40397,196.146329884,C12H20O2,CC(=O)O[C@@H]1CC2CC[C@@]1(C)C2(C)C,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12-/m1/s1",KGEKLUUHTZCSIP,GTFYECCDSA,N,(-)-Bornyl acetate,KGEKLUUHTZCSIP-GTFYECCDSA-N
HMDB40398,784.424521378,C40H64O15,CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C40H64O15/c1-17(18(2)36(51)55-38-35(50)33(48)31(46)28(16-42)54-38)12-26(43)19(3)23-8-9-24-22-7-6-20-13-21(52-37-34(49)32(47)30(45)27(15-41)53-37)14-29(44)40(20,5)25(22)10-11-39(23,24)4/h6,19,21-35,37-38,41-50H,7-16H2,1-5H3/b18-17-",JPXWUHUTNQDPDE,ZCXUNETKSA,N,"1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-b-D-glucosyl ester",JPXWUHUTNQDPDE-ZCXUNETKSA-N
HMDB40399,946.477344808,C46H74O20,CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C46H74O20/c1-18(19(2)41(60)66-44-40(37(57)34(54)30(17-49)64-44)65-43-39(59)36(56)33(53)29(16-48)63-43)12-27(50)20(3)24-8-9-25-23-7-6-21-13-22(61-42-38(58)35(55)32(52)28(15-47)62-42)14-31(51)46(21,5)26(23)10-11-45(24,25)4/h6,20,22-40,42-44,47-59H,7-17H2,1-5H3/b19-18-",SLKLMANSFWXKFP,HNENSFHCSA,N,"1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester",SLKLMANSFWXKFP-HNENSFHCSA-N
HMDB40400,988.487909494,C48H76O21,CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H76O21/c1-19(20(2)43(62)69-46-42(39(59)36(56)32(67-46)18-63-22(4)51)68-45-41(61)38(58)35(55)31(17-50)66-45)13-29(52)21(3)26-9-10-27-25-8-7-23-14-24(64-44-40(60)37(57)34(54)30(16-49)65-44)15-33(53)48(23,6)28(25)11-12-47(26,27)5/h7,21,24-42,44-46,49-50,52-61H,8-18H2,1-6H3/b20-19-",CBKQGELSNULPLY,VXPUYCOJSA,N,"1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-6-acetyl-b-D-glucosyl] ester",CBKQGELSNULPLY-VXPUYCOJSA-N
HMDB40401,1150.540732924,C54H86O26,CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C54H86O26/c1-20(13-30(59)22(3)27-9-10-28-26-8-7-24-14-25(73-49-43(68)39(64)36(61)31(16-55)74-49)15-35(60)54(24,6)29(26)11-12-53(27,28)5)21(2)48(71)80-52-47(41(66)38(63)34(77-52)19-72-23(4)58)79-51-45(70)42(67)46(33(18-57)76-51)78-50-44(69)40(65)37(62)32(17-56)75-50/h7,22,25-47,49-52,55-57,59-70H,8-19H2,1-6H3/b21-20-",TWYKVNVZQJGURA,MRCUWXFGSA,N,"1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->4)-b-D-glucosyl-(1->2)-6-acetyl-b-D-glucosyl] ester",TWYKVNVZQJGURA-MRCUWXFGSA-N
HMDB40402,1192.55129761,C56H88O27,CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(COC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C56H88O27/c1-21(14-32(61)23(3)29-10-11-30-28-9-8-26-15-27(76-51-45(70)41(66)38(63)33(17-57)77-51)16-37(62)56(26,7)31(28)12-13-55(29,30)6)22(2)50(73)83-54-49(43(68)40(65)35(79-54)19-74-24(4)59)82-53-47(72)44(69)48(36(80-53)20-75-25(5)60)81-52-46(71)42(67)39(64)34(18-58)78-52/h8,23,27-49,51-54,57-58,61-72H,9-20H2,1-7H3/b22-21-",HVFSJXUIRWUHRG,DQRAZIAOSA,N,"1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->4)-6-acetyl-b-D-glucosyl-(1->2)-6-acetyl-b-D-glucosyl] ester",HVFSJXUIRWUHRG-DQRAZIAOSA-N
HMDB40403,1192.55129761,C56H88O27,CC(C(C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC(C)=O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C56H88O27/c1-21(22(2)50(73)83-54-49(43(68)40(65)36(80-54)20-74-24(4)60)82-53-47(72)44(69)48(35(19-59)79-53)81-52-46(71)42(67)39(64)34(18-58)78-52)14-32(75-25(5)61)23(3)29-10-11-30-28-9-8-26-15-27(76-51-45(70)41(66)38(63)33(17-57)77-51)16-37(62)56(26,7)31(28)12-13-55(29,30)6/h8,23,27-49,51-54,57-59,62-72H,9-20H2,1-7H3/b22-21-",VGFQIQCRTFAIEC,DQRAZIAOSA,N,"22R-Acetoxy-1alpha,3beta-dihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->4)-b-D-glucosyl-(1->2)-6-acetyl-b-D-glucosyl] ester",VGFQIQCRTFAIEC-DQRAZIAOSA-N
HMDB40404,1234.561862296,C58H90O28,CC(C(C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(COC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC(C)=O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C58H90O28/c1-22(15-34(78-27(6)63)24(3)31-11-12-32-30-10-9-28-16-29(79-53-47(72)43(68)40(65)35(18-59)80-53)17-39(64)58(28,8)33(30)13-14-57(31,32)7)23(2)52(75)86-56-51(45(70)42(67)37(82-56)20-76-25(4)61)85-55-49(74)46(71)50(38(83-55)21-77-26(5)62)84-54-48(73)44(69)41(66)36(19-60)81-54/h9,24,29-51,53-56,59-60,64-74H,10-21H2,1-8H3/b23-22-",WROICLPHNFHHKX,FCQUAONHSA,N,"22R-Acetoxy-1alpha,3beta-dihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->4)-6-acetyl-b-D-glucosyl-(1->2)-6-acetyl-b-D-glucosyl] ester",WROICLPHNFHHKX-FCQUAONHSA-N
HMDB40405,638.36661257,C34H54O11,CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C,"InChI=1S/C34H54O11/c1-15(16(2)31(43)45-32-30(42)29(41)28(40)25(14-35)44-32)10-23(37)17(3)21-8-9-22-20-7-6-18-11-19(36)12-26(39)34(18,5)27(20)24(38)13-33(21,22)4/h6,17,19-30,32,35-42H,7-14H2,1-5H3/b16-15-",PKYGFGNTTYORCF,NXVVXOECSA,N,"26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate",PKYGFGNTTYORCF-NXVVXOECSA-N
HMDB40406,842.430000686,C42H66O17,CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C,"InChI=1S/C42H66O17/c1-17(11-26(46)19(3)24-9-10-25-23-8-7-21-12-22(45)13-30(48)42(21,6)31(23)27(47)14-41(24,25)5)18(2)38(54)59-40-37(35(52)33(50)29(57-40)16-55-20(4)44)58-39-36(53)34(51)32(49)28(15-43)56-39/h7,19,22-37,39-40,43,45-53H,8-16H2,1-6H3/b18-17-",CRRPFFTZRFACDM,ZCXUNETKSA,N,"26-(2-Glucosyl-6-acetylglucosyl]-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate",CRRPFFTZRFACDM-ZCXUNETKSA-N
HMDB40407,236.068473494,C12H12O5,CC1CC(=O)C2=C(O1)C=C(O)C=C2CC(O)=O,"InChI=1S/C12H12O5/c1-6-2-9(14)12-7(4-11(15)16)3-8(13)5-10(12)17-6/h3,5-6,13H,2,4H2,1H3,(H,15,16)",MONKQYHCNQSQHL,UHFFFAOYSA,N,"(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid",MONKQYHCNQSQHL-UHFFFAOYSA-N
HMDB40408,234.05282343,C12H10O5,CC1=CC(=O)C2=C(O1)C=C(O)C=C2CC(O)=O,"InChI=1S/C12H10O5/c1-6-2-9(14)12-7(4-11(15)16)3-8(13)5-10(12)17-6/h2-3,5,13H,4H2,1H3,(H,15,16)",AWGUDSPRBOCEJK,UHFFFAOYSA,N,7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid,AWGUDSPRBOCEJK-UHFFFAOYSA-N
HMDB40409,132.07864425,C6H12O3,CCOC(=O)CC(C)O,"InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3",OMSUIQOIVADKIM,UHFFFAOYSA,N,Ethyl (±)-3-hydroxybutyrate,OMSUIQOIVADKIM-UHFFFAOYSA-N
HMDB40410,134.040150254,C5H10O2S,CCOC(=O)CCS,"InChI=1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3",CJQWLNNCQIHKHP,UHFFFAOYSA,N,Ethyl 3-mercaptopropanoic acid,CJQWLNNCQIHKHP-UHFFFAOYSA-N
HMDB40411,178.099379692,C11H14O2,CCOC(=O)CCC1=CC=CC=C1,"InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",JAGZUIGGHGTFHO,UHFFFAOYSA,N,Ethyl 3-phenylpropanoate,JAGZUIGGHGTFHO-UHFFFAOYSA-N
HMDB40412,284.104859,C17H16O4,CC(COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1,"InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3",UMVMVEZHMZTUHD,UHFFFAOYSA,N,DL-Propylene glycol dibenzoate,UMVMVEZHMZTUHD-UHFFFAOYSA-N
HMDB40413,148.055800318,C6H12O2S,CCOC(=O)CCSC,"InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3",YSNWHRKJEKWJNY,UHFFFAOYSA,N,Ethyl 3-(methylthio)propanoate,YSNWHRKJEKWJNY-UHFFFAOYSA-N
HMDB40414,454.41746635,C32H54O,C\C=C(\CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C)C(C)C,"InChI=1S/C32H54O/c1-10-23(21(2)3)12-11-22(4)24-15-19-32(9)26-13-14-27-29(5,6)28(33)17-18-30(27,7)25(26)16-20-31(24,32)8/h10,16,21-22,24,26-28,33H,11-15,17-20H2,1-9H3/b23-10-",RFLJAFOWXRXKGY,RMORIDSASA,N,"(3beta,24(241)Z)-24-Ethylidenelanost-9(11)-en-3-ol",RFLJAFOWXRXKGY-RMORIDSASA-N
HMDB40415,470.33960996,C30H46O4,CC(CC\C=C(\C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)CO,"InChI=1S/C30H46O4/c1-19(7-6-8-20(2)25(33)34)21-11-13-28(5)23-10-9-22-26(3,18-31)24(32)12-14-29(22)17-30(23,29)16-15-27(21,28)4/h8,19,21-23,31H,6-7,9-18H2,1-5H3,(H,33,34)/b20-8-",JRQCOSMCTGXCGO,ZBKNUEDVSA,N,28-Hydroxymangiferonic acid,JRQCOSMCTGXCGO-ZBKNUEDVSA-N
HMDB40416,800.492207012,C42H72O14,CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C3(C)CCC(O3)C(C)(C)O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O,"InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3",JBGYSAVRIDZNKA,UHFFFAOYSA,N,Ginsenoside A1,JBGYSAVRIDZNKA-UHFFFAOYSA-N
HMDB40417,816.487121634,C42H72O15,CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C42H72O15/c1-37(2)25(46)10-12-39(5)24-15-20(45)27-19(42(8)14-11-26(57-42)38(3,4)52)9-13-40(27,6)41(24,7)16-21(34(37)39)53-36-33(31(50)29(48)23(18-44)55-36)56-35-32(51)30(49)28(47)22(17-43)54-35/h19-36,43-52H,9-18H2,1-8H3",TVWNWTCNFUZDDJ,UHFFFAOYSA,N,Majonoside R1,TVWNWTCNFUZDDJ-UHFFFAOYSA-N
HMDB40418,786.476556948,C41H70O14,CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3",UGMDQWNVJMIQKD,UHFFFAOYSA,N,Majonoside R2,UGMDQWNVJMIQKD-UHFFFAOYSA-N
HMDB40419,948.529380378,C47H80O19,CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(50)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-22(38(42)44)61-41-37(34(56)31(53)24(18-49)63-41)65-39-35(57)32(54)25(19-60-39)64-40-36(58)33(55)30(52)23(17-48)62-40/h20-41,48-59H,9-19H2,1-8H3",KJYLEUAWRQFTNS,UHFFFAOYSA,N,Vinaginsenoside R5,KJYLEUAWRQFTNS-UHFFFAOYSA-N
HMDB40420,948.529380378,C47H80O19,CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(49)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-23(38(42)44)62-41-37(65-40-35(57)30(52)22(50)18-60-40)34(56)32(54)25(64-41)19-61-39-36(58)33(55)31(53)24(17-48)63-39/h20-41,48-59H,9-19H2,1-8H3",MGROSLQKCJXSBT,UHFFFAOYSA,N,Vinaginsenoside R6,MGROSLQKCJXSBT-UHFFFAOYSA-N
HMDB40421,344.162373878,C20H24O5,CC(C)C1=C(O)C2=C(C(C=O)=C1)C1(CCCC(C)(C)C1C(=O)O2)C=O,"InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)14-16(15(13)23)25-18(24)17-19(3,4)6-5-7-20(14,17)10-22/h8-11,17,23H,5-7H2,1-4H3",VBEKTSBYXBBXEO,UHFFFAOYSA,N,Safficinolide,VBEKTSBYXBBXEO-UHFFFAOYSA-N
HMDB40422,222.198365454,C15H26O,[H][C@@]12CCC(C)=C[C@]1([H])[C@](O)(CC[C@H]2C)C(C)C,"InChI=1S/C15H26O/c1-10(2)15(16)8-7-12(4)13-6-5-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m1/s1",MUROKQYXIPVTGD,QPSCCSFWSA,N,Chamomillol,MUROKQYXIPVTGD-QPSCCSFWSA-N
HMDB40424,220.109944378,C13H16O3,CCOC(=O)C(CC1=CC=CC=C1)C(C)=O,"InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3",XDWQYMXQMNUWID,UHFFFAOYSA,N,Ethyl 2-benzylacetoacetate,XDWQYMXQMNUWID-UHFFFAOYSA-N
HMDB40425,178.099379692,C11H14O2,CCCOC(=O)CC1=CC=CC=C1,"InChI=1S/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",GXXFZZLGPFNITM,UHFFFAOYSA,N,Propyl phenylacetate,GXXFZZLGPFNITM-UHFFFAOYSA-N
HMDB40426,178.099379692,C11H14O2,CC(C)OC(=O)CC1=CC=CC=C1,"InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",SSMBXPJYHMZLOJ,UHFFFAOYSA,N,Isopropyl phenylacetate,SSMBXPJYHMZLOJ-UHFFFAOYSA-N
HMDB40427,192.115029756,C12H16O2,CCCCOC(=O)CC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",LDOXTQYWWYXYSQ,UHFFFAOYSA,N,Butyl phenylacetate,LDOXTQYWWYXYSQ-UHFFFAOYSA-N
HMDB40428,150.068079564,C9H10O2,O=COCCC1=CC=CC=C1,"InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2",IKDIJXDZEYHZSD,UHFFFAOYSA,N,2-Phenylethyl formate,IKDIJXDZEYHZSD-UHFFFAOYSA-N
HMDB40429,258.18310932,C14H26O4,CCOC(=O)CCCCCCCCC(=O)OCC,"InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3",ONKUXPIBXRRIDU,UHFFFAOYSA,N,Diethyl decanedioate,ONKUXPIBXRRIDU-UHFFFAOYSA-N
HMDB40430,158.13067982,C9H18O2,CCCCCC(=O)OC(C)C,"InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3",JSHDAORXSNJOBA,UHFFFAOYSA,N,Isopropyl hexanoate,JSHDAORXSNJOBA-UHFFFAOYSA-N
HMDB40431,206.13067982,C13H18O2,CCCCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3",UUGLJVMIFJNVFH,UHFFFAOYSA,N,Hexyl benzoate,UUGLJVMIFJNVFH-UHFFFAOYSA-N
HMDB40432,160.146329884,C9H20O2,CCCCCCC(OC)OC,"InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3",BBMCNYFBAIUERL,UHFFFAOYSA,N,"1,1-Dimethoxyheptane",BBMCNYFBAIUERL-UHFFFAOYSA-N
HMDB40433,144.07864425,C7H12O3,CCOC(=O)CCC(C)=O,"InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3",GMEONFUTDYJSNV,UHFFFAOYSA,N,Ethyl levulinate,GMEONFUTDYJSNV-UHFFFAOYSA-N
HMDB40434,800.143608086,C36H32O21,OC1CC(O)(CC(C1O)C(=O)OC1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1C1OC2=C(CC1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C2)C(O)=O,"InChI=1S/C36H32O21/c37-11-3-15(38)12-6-23(57-33(50)10-1-16(39)27(45)17(40)2-10)32(55-21(12)4-11)13-5-18(41)28(46)30(48)24(13)25-22(7-19(42)29(47)31(25)49)56-34(51)14-8-36(54,35(52)53)9-20(43)26(14)44/h1-5,7,14,20,23,26,32,37-49,54H,6,8-9H2,(H,52,53)",QULCNHZMLDVYJM,UHFFFAOYSA,N,Theogallinin,QULCNHZMLDVYJM-UHFFFAOYSA-N
HMDB40435,312.11100701,C17H16N2O4,COC1=CC2=C(C=C1)N=CN(C2=O)C1=CC=C(OC)C=C1CO,"InChI=1S/C17H16N2O4/c1-22-12-4-6-16(11(7-12)9-20)19-10-18-15-5-3-13(23-2)8-14(15)17(19)21/h3-8,10,20H,9H2,1-2H3",SHUSJJZZTZAKPD,UHFFFAOYSA,N,Dictyoquinazol A,SHUSJJZZTZAKPD-UHFFFAOYSA-N
HMDB40436,546.393376864,C34H50N4O2,CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)CC2=CC=CC=C2)=CC1=O)CC1=CC=CC=C1,"InChI=1S/C34H48N4O2/c1-5-37(6-2,27-29-17-11-9-12-18-29)23-15-21-35-31-25-34(40)32(26-33(31)39)36-22-16-24-38(7-3,8-4)28-30-19-13-10-14-20-30/h9-14,17-20,25-26H,5-8,15-16,21-24,27-28H2,1-4H3/p+2",YERABYSOHUZTPQ,UHFFFAOYSA,P,"endo-1,4-beta-Xylanase",YERABYSOHUZTPQ-UHFFFAOYSA-P
HMDB40439,194.13067982,C12H18O2,CCCCCCCC(=O)C1=CC=CO1,"InChI=1S/C12H18O2/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3",OQMUCISCOICEGC,UHFFFAOYSA,N,1-(2-Furanyl)-1-octanone,OQMUCISCOICEGC-UHFFFAOYSA-N
HMDB40441,328.142307138,C18H20N2O4,COC1=CC=C(N2CN(C=O)C3=CC=C(OC)C=C3C2)C(CO)=C1,"InChI=1S/C18H20N2O4/c1-23-15-3-5-17-13(7-15)9-19(11-20(17)12-22)18-6-4-16(24-2)8-14(18)10-21/h3-8,12,21H,9-11H2,1-2H3",ZPMNGXXERQAMJD,UHFFFAOYSA,N,Dictyoquinazol B,ZPMNGXXERQAMJD-UHFFFAOYSA-N
HMDB40442,342.121571696,C18H18N2O5,COC1=CC2=C(C=C1)N(CN(C2=O)C1=CC=C(OC)C=C1CO)C=O,"InChI=1S/C18H18N2O5/c1-24-13-3-5-16(12(7-13)9-21)20-10-19(11-22)17-6-4-14(25-2)8-15(17)18(20)23/h3-8,11,21H,9-10H2,1-2H3",RFAIUXGESYTSKG,UHFFFAOYSA,N,Dictyoquinazol C,RFAIUXGESYTSKG-UHFFFAOYSA-N
HMDB40443,199.085795313,C10H9N5,CN1C(N)=NC2=C1C=CC1=C2N=CC=N1,"InChI=1S/C10H9N5/c1-15-7-3-2-6-8(13-5-4-12-6)9(7)14-10(15)11/h2-5H,1H3,(H2,11,14)",HKZZYGFWIFKKIR,UHFFFAOYSA,N,"3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amine",HKZZYGFWIFKKIR-UHFFFAOYSA-N
HMDB40445,126.068079564,C7H10O2,CCOCC1=CC=CO1,"InChI=1S/C7H10O2/c1-2-8-6-7-4-3-5-9-7/h3-5H,2,6H2,1H3",BHGBNDNKYPEAAT,UHFFFAOYSA,N,2-(Ethoxymethyl)furan,BHGBNDNKYPEAAT-UHFFFAOYSA-N
HMDB40446,192.07864425,C11H12O3,CC(=O)CC(=O)OCC1=CC=CC=C1,"InChI=1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",WOFAGNLBCJWEOE,UHFFFAOYSA,N,Benzyl acetoacetate,WOFAGNLBCJWEOE-UHFFFAOYSA-N
HMDB40447,158.094294314,C8H14O3,CCCCOC(=O)CC(C)=O,"InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3",REIYHFWZISXFKU,UHFFFAOYSA,N,Butyl acetoacetate,REIYHFWZISXFKU-UHFFFAOYSA-N
HMDB40448,154.135765198,C10H18O,CCC(C)C1CCCCC1=O,"InChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3",RQXTZKGDMNIWJF,UHFFFAOYSA,N,2-(1-Methylpropyl)cyclohexanone,RQXTZKGDMNIWJF-UHFFFAOYSA-N
HMDB40449,152.083729628,C9H12O2,CCOCC1=CC=CC=C1O,"InChI=1S/C9H12O2/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3",GNNUWFUVNWRCEO,UHFFFAOYSA,N,2-(Ethoxymethyl)phenol,GNNUWFUVNWRCEO-UHFFFAOYSA-N
HMDB40450,277.862653253,C7H3Cl5O,OCC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,"InChI=1S/C7H3Cl5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2",RVCKCEDKBVEEHL,UHFFFAOYSA,N,"2,3,4,5,6-Pentachlorobenzyl alcohol",RVCKCEDKBVEEHL-UHFFFAOYSA-N
HMDB40451,212.177630012,C13H24O2,O=C1CCCCCCCCCCCCO1,InChI=1S/C13H24O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h1-12H2,IUDIJIVSWGWJNV,UHFFFAOYSA,N,Oxacyclotetradecan-2-one,IUDIJIVSWGWJNV-UHFFFAOYSA-N
HMDB40452,137.963162262,C3H6S3,C1CSSSC1,InChI=1S/C3H6S3/c1-2-4-6-5-3-1/h1-3H2,BVOMRRWJQOJMPA,UHFFFAOYSA,N,"1,2,3-Trithiane",BVOMRRWJQOJMPA-UHFFFAOYSA-N
HMDB40453,936.15965208,C43H36O24,OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C2OC3=C(CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=CC(O)=C3)C(O)C(O)C1O,"InChI=1S/C43H36O24/c44-10-26-33(56)37(60)38(61)43(66-26)67-41-36(59)29-18(48)4-13(46)6-24(29)64-40(41)16-8-22(52)32(55)35(58)28(16)27-15(7-21(51)31(54)34(27)57)39-25(9-14-17(47)3-12(45)5-23(14)63-39)65-42(62)11-1-19(49)30(53)20(50)2-11/h1-8,25-26,33,37-39,43-58,60-61H,9-10H2",LUYANQLLUZLLRS,UHFFFAOYSA,N,Theaflavonin,LUYANQLLUZLLRS-UHFFFAOYSA-N
HMDB40454,454.344695338,C30H46O3,CC(CC\C=C(/C)C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O,"InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,24-25,33H,8,10-17H2,1-7H3/b19-9+",PIOYBULRRJNPSG,DJKKODMXSA,N,Lucidal,PIOYBULRRJNPSG-DJKKODMXSA-N
HMDB40455,456.360345402,C30H48O3,CC(CC\C=C(/C)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O,"InChI=1S/C30H48O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24-25,31,33H,8,10-18H2,1-7H3/b19-9+",AZPOACUDFJKUHJ,DJKKODMXSA,N,Lucidadiol,AZPOACUDFJKUHJ-DJKKODMXSA-N
HMDB40456,456.360345402,C30H48O3,CC(CC\C=C(\C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,"InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24-25,31H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-",KGELVXQPIUKGCO,JMIUGGIZSA,N,Ganoderic acid Z,KGELVXQPIUKGCO-JMIUGGIZSA-N
HMDB40457,197.935012805,C4H7BrO2S,BrC1CCS(=O)(=O)C1,"InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2",IPOKQKBJDASROB,UHFFFAOYSA,N,3-Bromosulfolane,IPOKQKBJDASROB-UHFFFAOYSA-N
HMDB40458,120.093900384,C9H12,C=C1CCC(=C)C(=C)C1,InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h1-6H2,AMBNQWVPTPHADI,UHFFFAOYSA,N,"1,2,4-Tris(methylene)cyclohexane",AMBNQWVPTPHADI-UHFFFAOYSA-N
HMDB40459,270.18310932,C15H26O4,O=C1CCCCCCCCCCCC(=O)OCCO1,InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2,XRHCAGNSDHCHFJ,UHFFFAOYSA,N,Ethylene brassylate,XRHCAGNSDHCHFJ-UHFFFAOYSA-N
HMDB40460,164.083729628,C10H12O2,CC(=O)OCC1=CC=C(C)C=C1,"InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3",WDCUPFMSLUIQBH,UHFFFAOYSA,N,4-Methylbenzyl alcohol acetate,WDCUPFMSLUIQBH-UHFFFAOYSA-N
HMDB40461,334.162767808,C15H26O8,CCCCOC(=O)CC(O)(C(O)C(=O)OCCCC)C(=O)OC,"InChI=1S/C15H26O8/c1-4-6-8-22-11(16)10-15(20,14(19)21-3)12(17)13(18)23-9-7-5-2/h12,17,20H,4-10H2,1-3H3",JRMBFEKUMNWOIE,UHFFFAOYSA,N,"1,5-Dibutyl methyl hydroxycitrate",JRMBFEKUMNWOIE-UHFFFAOYSA-N
HMDB40462,302.136553058,C14H22O7,CCCCOC(=O)CC1(O)C(OC1=O)C(=O)OCCCC,"InChI=1S/C14H22O7/c1-3-5-7-19-10(15)9-14(18)11(21-13(14)17)12(16)20-8-6-4-2/h11,18H,3-9H2,1-2H3",TYDSJOYVIREIOH,UHFFFAOYSA,N,Garcinia lactone dibutyl ester,TYDSJOYVIREIOH-UHFFFAOYSA-N
HMDB40463,140.083729628,C8H12O2,CCOC(=O)\C=C\C=C\C,"InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+",OZZYKXXGCOLLLO,TWTPFVCWSA,N,Ethyl sorbate,OZZYKXXGCOLLLO-TWTPFVCWSA-N
HMDB40464,192.055109585,C12H9NaO,[Na+].[O-]C1=CC=CC=C1C1=CC=CC=C1,"InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1",KSQXVLVXUFHGJQ,UHFFFAOYSA,M,Dowicide A,KSQXVLVXUFHGJQ-UHFFFAOYSA-M
HMDB40465,328.152203122,C16H24O7,CC(=C)C1CCC(=CC1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H24O7/c1-8(2)9-3-5-10(6-4-9)15(21)23-16-14(20)13(19)12(18)11(7-17)22-16/h5,9,11-14,16-20H,1,3-4,6-7H2,2H3",CDSQRAACZGXZNE,UHFFFAOYSA,N,Perilloside B,CDSQRAACZGXZNE-UHFFFAOYSA-N
HMDB40466,1240.645197994,C59H100O27,CC(C)=CCCC(C)(OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-48(76)43(71)40(68)31(83-53)23-79-51-46(74)42(70)39(67)30(82-51)22-78-50-45(73)36(64)27(63)21-77-50)25-11-16-58(7)35(25)26(62)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)84-54-49(44(72)38(66)29(20-61)81-54)85-52-47(75)41(69)37(65)28(19-60)80-52/h10,25-54,60-76H,9,11-23H2,1-8H3",IWDYQBDCEDNTDP,UHFFFAOYSA,N,Notoginsenoside R4,IWDYQBDCEDNTDP-UHFFFAOYSA-N
HMDB40467,988.560680506,C50H84O19,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C50H84O19/c1-23(2)11-10-15-50(9,69-44-41(62)37(58)34(55)27(20-51)64-44)25-12-17-49(8)33(25)26(54)19-31-47(6)16-14-32(46(4,5)30(47)13-18-48(31,49)7)67-45-42(39(60)35(56)28(21-52)65-45)68-43-40(61)38(59)36(57)29(66-43)22-63-24(3)53/h11,25-45,51-52,54-62H,10,12-22H2,1-9H3",LBEQBAUYSPUYAY,UHFFFAOYSA,N,Pseudoginsenoside Rc1,LBEQBAUYSPUYAY-UHFFFAOYSA-N
HMDB40468,926.52390107,C48H78O17,CC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CCC3C5C6(CC43CO6)OC(CC5(C)OC3OC(C)C(O)C(O)C3O)C=C(C)C)C2(C)C)C(O)C(O)C1O,"InChI=1S/C48H78O17/c1-21(2)16-24-17-46(9,65-41-37(57)34(54)31(51)23(4)60-41)39-25-10-11-28-44(7)14-13-29(43(5,6)27(44)12-15-45(28,8)47(25)19-48(39,64-24)58-20-47)62-42-38(35(55)32(52)26(18-49)61-42)63-40-36(56)33(53)30(50)22(3)59-40/h16,22-42,49-57H,10-15,17-20H2,1-9H3",FJESIUXDUUJRCG,UHFFFAOYSA,N,Saponin D,FJESIUXDUUJRCG-UHFFFAOYSA-N
HMDB40469,780.465992262,C42H68O13,CC1OC(OC2(C)CC(OC34CC5(CO3)C(CCC3C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC53C)C24)C=C(C)C)C(O)C(O)C1O,"InChI=1S/C42H68O13/c1-20(2)15-22-16-40(8,55-36-33(49)30(46)28(44)21(3)51-36)34-23-9-10-26-38(6)13-12-27(53-35-32(48)31(47)29(45)24(17-43)52-35)37(4,5)25(38)11-14-39(26,7)41(23)18-42(34,54-22)50-19-41/h15,21-36,43-49H,9-14,16-19H2,1-8H3",AIQVSZGMSMEENK,UHFFFAOYSA,N,Saponin G,AIQVSZGMSMEENK-UHFFFAOYSA-N
HMDB40470,626.18468504,C28H34O16,COC1=C2C(=O)CC(OC2=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C28H34O16/c1-39-16-5-11(6-17-20(16)14(33)7-15(41-17)10-2-3-12(31)13(32)4-10)40-27-25(38)23(36)26(19(9-30)43-27)44-28-24(37)22(35)21(34)18(8-29)42-28/h2-6,15,18-19,21-32,34-38H,7-9H2,1H3",CEJOKNKJINIMGF,UHFFFAOYSA,N,5-Methyleriodictyol 7-[glucosyl-(1->4)-galactoside],CEJOKNKJINIMGF-UHFFFAOYSA-N
HMDB40471,522.21011193,C26H34O11,COC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C26H34O11/c1-34-19-7-13-5-14(9-27)16(10-28)22(15(13)8-17(19)30)12-3-4-18(20(6-12)35-2)36-26-25(33)24(32)23(31)21(11-29)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3",LLUBKLPJYIQJPI,UHFFFAOYSA,N,Isolariciresinol 4'-O-beta-D-glucoside,LLUBKLPJYIQJPI-UHFFFAOYSA-N
HMDB40472,360.084517488,C18H16O8,COC1=C2OCOC2=CC(=C1)C1CC(=O)C2=C(O1)C=C(O)C(OC)=C2O,"InChI=1S/C18H16O8/c1-22-13-3-8(4-14-18(13)25-7-24-14)11-5-9(19)15-12(26-11)6-10(20)17(23-2)16(15)21/h3-4,6,11,20-21H,5,7H2,1-2H3",OPMVFPLFBRWXER,UHFFFAOYSA,N,Agamanone,OPMVFPLFBRWXER-UHFFFAOYSA-N
HMDB40473,594.137340918,C30H26O13,OCC1OC(OC2=C(OC3=CC(OC(=O)\C=C\C4=CC=C(O)C=C4)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C30H26O13/c31-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(40-22(35)10-3-14-1-6-16(32)7-2-14)12-20(23)41-28(29)15-4-8-17(33)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+",CAHLQXBTMALBQE,XCVCLJGOSA,N,7-O-(4-Hydroxycinnamoyl) astragalin,CAHLQXBTMALBQE-XCVCLJGOSA-N
HMDB40474,652.163949598,C29H32O17,CC(=O)OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C29H32O17/c1-10(31)41-9-17-20(36)22(38)24(40)28(44-17)46-27-23(39)19(35)16(8-30)43-29(27)45-26-21(37)18-14(34)6-13(33)7-15(18)42-25(26)11-2-4-12(32)5-3-11/h2-7,16-17,19-20,22-24,27-30,32-36,38-40H,8-9H2,1H3",CDTNLNYMZSMCGJ,UHFFFAOYSA,N,2''-(6-Acetylglucosyl)astragalin,CDTNLNYMZSMCGJ-UHFFFAOYSA-N
HMDB40475,594.15847029,C27H30O15,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C27H30O15/c1-9-17(32)21(36)25(42-26-22(37)20(35)18(33)15(8-28)40-26)27(38-9)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3",BCNBWICEIXAVQF,UHFFFAOYSA,N,Kaempferol 3-O-glucosyl-(1->2)-rhamnoside,BCNBWICEIXAVQF-UHFFFAOYSA-N
HMDB40476,902.248073156,C42H46O22,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C42H46O22/c1-16-28(48)34(54)39(42(58-16)63-38-31(51)27-22(46)12-20(45)13-23(27)60-37(38)18-5-7-19(44)8-6-18)64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-9-21(10-3-17)59-40-35(55)32(52)29(49)24(14-43)61-40/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+",IYWSDKILEAGLBX,NYYWCZLTSA,N,Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside,IYWSDKILEAGLBX-NYYWCZLTSA-N
HMDB40477,594.137340918,C30H26O13,OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C(O)C1O,"InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(34)40-13-21-24(35)26(37)28(39)30(43-21)41-18-11-19(33)23-20(12-18)42-29(27(38)25(23)36)15-4-8-17(32)9-5-15/h1-12,21,24,26,28,30-33,35,37-39H,13H2/b10-3+",GVLNXQDHAFPPFW,XCVCLJGOSA,N,Buddlenoid A,GVLNXQDHAFPPFW-XCVCLJGOSA-N
HMDB40478,464.095476104,C21H20O12,OCC1OC(OC2=C(OC3=C(C(O)=C(O)C(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O12/c22-6-11-14(26)17(29)18(30)21(32-11)33-20-16(28)12-10(5-9(24)13(25)15(12)27)31-19(20)7-1-3-8(23)4-2-7/h1-5,11,14,17-18,21-27,29-30H,6H2",DIYGQKBUNSAYQA,UHFFFAOYSA,N,6-Hydroxykaempferol 3-glucoside,DIYGQKBUNSAYQA-UHFFFAOYSA-N
HMDB40479,492.126776232,C23H24O12,COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C(OC)C=C2O,"InChI=1S/C23H24O12/c1-31-14-5-9(3-4-10(14)25)13-6-11(26)17-12(27)7-15(32-2)21(22(17)33-13)35-23-20(30)19(29)18(28)16(8-24)34-23/h3-7,16,18-20,23-25,27-30H,8H2,1-2H3",HAANPBPCWSXUMK,UHFFFAOYSA,N,"3',7-Dimethoxy-4',5,8-trihydroxyflavone 8-glucoside",HAANPBPCWSXUMK-UHFFFAOYSA-N
HMDB40480,420.1572885,C25H24O6,CC(C)\C=C\C1=C(O)C=C2OC3=C(C(OC4=CC(O)=CC=C34)C=C(C)C)C(=O)C2=C1O,"InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-20-21(23(15)28)24(29)22-19(9-13(3)4)30-18-10-14(26)6-8-16(18)25(22)31-20/h5-12,19,26-28H,1-4H3/b7-5+",AXHZIEAQVMBUKO,FNORWQNLSA,N,Cyclocommunin,AXHZIEAQVMBUKO-FNORWQNLSA-N
HMDB40481,450.167853186,C26H26O7,COC1=C(O)C=C2OC(C=C(C)C)C3=C(OC4=C(CC=C(C)C)C(O)=CC(O)=C4C3=O)C2=C1,"InChI=1S/C26H26O7/c1-12(2)6-7-14-16(27)10-18(29)22-24(30)23-21(8-13(3)4)32-19-11-17(28)20(31-5)9-15(19)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3",JFHXTPDDKBBGNW,UHFFFAOYSA,N,Dihydroisocycloartomunin,JFHXTPDDKBBGNW-UHFFFAOYSA-N
HMDB40482,332.089602866,C17H16O7,COC1=CC(C2OC3=CC(OC)=CC(O)=C3C(=O)C2O)=C(O)C=C1,"InChI=1S/C17H16O7/c1-22-8-3-4-11(18)10(5-8)17-16(21)15(20)14-12(19)6-9(23-2)7-13(14)24-17/h3-7,16-19,21H,1-2H3",IDHBLUADTOWECE,UHFFFAOYSA,N,"2',3,5-Trihydroxy-5',7-dimethoxyflavanone",IDHBLUADTOWECE-UHFFFAOYSA-N
HMDB40483,934.259031772,C39H50O26,CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C39H50O26/c1-10-21(46)26(51)30(55)36(57-10)58-12-5-15(45)20-16(6-12)59-32(11-2-3-13(43)14(44)4-11)33(25(20)50)63-38-35(29(54)24(49)18(8-41)61-38)65-39-34(28(53)23(48)19(9-42)62-39)64-37-31(56)27(52)22(47)17(7-40)60-37/h2-6,10,17-19,21-24,26-31,34-49,51-56H,7-9H2,1H3",KVPHQBGTGFAPTB,UHFFFAOYSA,N,Quercetin 3-sophorotrioside 7-rhamnoside,KVPHQBGTGFAPTB-UHFFFAOYSA-N
HMDB40484,918.242987778,C42H46O23,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C42H46O23/c1-15-28(49)34(55)39(42(59-15)64-38-31(52)27-22(47)11-18(44)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17)65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-19(7-3-16)60-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+",SENXSEXWQKRDKG,RUDMXATFSA,N,Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside,SENXSEXWQKRDKG-RUDMXATFSA-N
HMDB40485,918.242987778,C42H46O23,CC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16)42(59-15)64-38-31(52)27-22(47)11-19(60-40-35(56)32(53)29(50)24(13-43)62-40)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+",SHRUKDVTMUBNTL,RUDMXATFSA,N,Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside 7-glucoside,SHRUKDVTMUBNTL-RUDMXATFSA-N
HMDB40486,610.153384912,C27H30O16,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C27H30O16/c1-8-17(33)21(37)25(43-26-22(38)20(36)18(34)15(7-28)41-26)27(39-8)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3",DFNXNCCYQRPZMD,UHFFFAOYSA,N,Quercetin 3-(2-glucosylrhamnoside),DFNXNCCYQRPZMD-UHFFFAOYSA-N
HMDB40487,788.201122964,C33H40O22,OCC1OC(OCC2OC(OCC3OC(OC4=C(OC5=CC(O)=CC(O)=C5C4=O)C4=CC(O)=C(O)C=C4)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-7-16-20(40)24(44)27(47)32(53-16)50-8-17-21(41)25(45)28(48)33(54-17)55-30-22(42)18-13(38)4-10(35)5-14(18)51-29(30)9-1-2-11(36)12(37)3-9/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2",XXHSUYNZCSBPBG,UHFFFAOYSA,N,Moracetin,XXHSUYNZCSBPBG-UHFFFAOYSA-N
HMDB40488,596.137734848,C26H28O16,OC1COC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2",YNMFDPCLPIMRFD,UHFFFAOYSA,N,Quercetin 3-xylosyl-(1->6)-glucoside,YNMFDPCLPIMRFD-UHFFFAOYSA-N
HMDB40489,610.153384912,C27H30O16,CC1OC(OC2C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O16/c1-8-17(33)19(35)21(37)26(39-8)42-24-15(7-28)41-27(22(38)20(24)36)43-25-18(34)16-13(32)5-10(29)6-14(16)40-23(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-22,24,26-33,35-38H,7H2,1H3",SKOCCRDVSSOREC,UHFFFAOYSA,N,Isoquercitrin 4''-rhamnoside,SKOCCRDVSSOREC-UHFFFAOYSA-N
HMDB40490,610.153384912,C27H30O16,COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)29)24-25(20(34)17-12(30)5-10(28)6-15(17)41-24)43-27-23(37)21(35)19(33)16(42-27)8-40-26-22(36)18(32)13(31)7-39-26/h2-6,13,16,18-19,21-23,26-33,35-37H,7-8H2,1H3",HIRWMGZVIYIRJM,UHFFFAOYSA,N,Isorhamnetin 3-O-[b-D-xylopyranosyl-(1->6)-b-D-glucopyranoside],HIRWMGZVIYIRJM-UHFFFAOYSA-N
HMDB40491,770.481642326,C41H70O13,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OCC(O)C(O)C1O,"InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(18-42)53-36)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3",QIVXKAIEVIJKLD,UHFFFAOYSA,N,Pseudoginsenoside RT3,QIVXKAIEVIJKLD-UHFFFAOYSA-N
HMDB40492,962.545030442,C48H82O19,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-39(61)36(58)33(55)27(66-43)20-62-41-37(59)34(56)31(53)25(18-49)64-41)22-11-15-46(6)30(22)23(51)16-28-45(5)14-12-29(52)44(3,4)40(45)24(17-47(28,46)7)63-42-38(60)35(57)32(54)26(19-50)65-42/h10,22-43,49-61H,9,11-20H2,1-8H3",YPUHYSBFIMWSEC,UHFFFAOYSA,N,Notoginsenoside R6,YPUHYSBFIMWSEC-UHFFFAOYSA-N
HMDB40493,930.555201198,C48H82O17,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C48H82O17/c1-23(2)10-9-16-48(8,65-42-39(59)36(56)33(53)27(21-50)61-42)25-13-18-46(6)24(25)11-12-30-45(5)17-15-31(44(3,4)29(45)14-19-47(30,46)7)63-43-40(37(57)34(54)28(22-51)62-43)64-41-38(58)35(55)32(52)26(20-49)60-41/h10,24-43,49-59H,9,11-22H2,1-8H3",NJPDRQDELKMUTI,UHFFFAOYSA,N,Vinaginsenoside R3,NJPDRQDELKMUTI-UHFFFAOYSA-N
HMDB40494,470.33960996,C30H46O4,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)",LLLYZDPEYDHSHM,UHFFFAOYSA,N,2-Hydroxy-3-oxo-12-oleanen-28-oic acid,LLLYZDPEYDHSHM-UHFFFAOYSA-N
HMDB40495,618.39203946,C39H54O6,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(C)C5CCC34C)C2C1C)C(O)=O,"InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44)/b15-10+",FEVUQLLYZLSRLB,XNTDXEJSSA,N,cis-p-Coumaroylcorosolic acid,FEVUQLLYZLSRLB-XNTDXEJSSA-N
HMDB40496,648.402604146,C40H56O7,COC1=CC(\C=C\C(=O)OC2CC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)CCC5(CCC43C)C(O)=O)C(C)(C)C2O)=CC=C1O,"InChI=1S/C40H56O7/c1-23-15-18-40(35(44)45)20-19-38(6)26(33(40)24(23)2)11-13-31-37(5)22-29(34(43)36(3,4)30(37)16-17-39(31,38)7)47-32(42)14-10-25-9-12-27(41)28(21-25)46-8/h9-12,14,21,23-24,29-31,33-34,41,43H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+",QVWRWMJXTWVRCW,GXDHUFHOSA,N,trans-3-Feruloylcorosolic acid,QVWRWMJXTWVRCW-GXDHUFHOSA-N
HMDB40497,884.476950878,C45H72O17,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h6,19-21,23-42,46-54H,7-18H2,1-5H3",DAIAMOGGSOXZSO,UHFFFAOYSA,N,Melongoside H,DAIAMOGGSOXZSO-UHFFFAOYSA-N
HMDB40498,604.397518768,C35H56O8,CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(O)=O)C(C)(C)C3CCC2(C)C2(C)CCC(C12)C1(C)CCC(O1)C(C)(C)O,"InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)",RLVAVWQAAQFUOP,UHFFFAOYSA,N,3-Epipapyriferic acid,RLVAVWQAAQFUOP-UHFFFAOYSA-N
HMDB40499,486.334524582,C30H46O5,CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C1(C)CCC1(C)CCC(C)(CC21O)C(O)=O,"InChI=1S/C30H46O5/c1-24(2)19-8-11-29(7)22(27(19,5)10-9-21(24)32)18(31)16-20-28(29,6)15-14-26(4)13-12-25(3,23(33)34)17-30(20,26)35/h16,19,21-22,32,35H,8-15,17H2,1-7H3,(H,33,34)",FCVHQYZUEPQNJU,UHFFFAOYSA,N,18alpha-Hydroxyglycyrrhetic acid,FCVHQYZUEPQNJU-UHFFFAOYSA-N
HMDB40500,787.229683438,C34H43O21,COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C34H42O21/c1-48-17-4-11(2-3-14(17)39)30-18(7-13-15(49-30)5-12(38)6-16(13)50-32-28(46)25(43)22(40)19(8-35)52-32)51-34-31(27(45)24(42)21(10-37)54-34)55-33-29(47)26(44)23(41)20(9-36)53-33/h2-7,19-29,31-37,40-47H,8-10H2,1H3,(H-,38,39)/p+1/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1",JRZVFIAPPQXNCE,HRTNZEMOSA,O,Peonidin 3-sophoroside 5-glucoside,JRZVFIAPPQXNCE-HRTNZEMOSA-O
HMDB40501,949.261377496,C43H49O24,COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1,"InChI=1S/C43H48O24/c1-59-25-9-17(4-6-21(25)48)39-26(12-19-23(61-39)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41)63-43-40(67-42-38(58)35(55)32(52)28(14-45)65-42)36(56)33(53)29(66-43)15-60-30(50)7-3-16-2-5-20(47)22(49)8-16/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1",DGVPBUDMTNUREK,UHFFFAOYSA,O,YGM 5B,DGVPBUDMTNUREK-UHFFFAOYSA-O
HMDB40502,438.152597052,C21H26O10,C\C(CO)=C/CC1=C(O)C2=C(OC(C)=CC2=O)C=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H26O10/c1-9(7-22)3-4-11-13(6-14-16(17(11)25)12(24)5-10(2)29-14)30-21-20(28)19(27)18(26)15(8-23)31-21/h3,5-6,15,18-23,25-28H,4,7-8H2,1-2H3/b9-3+",VAWXDOOFPWDVPC,YCRREMRBSA,N,Cnidimol 7-glucoside,VAWXDOOFPWDVPC-YCRREMRBSA-N
HMDB40503,432.142032366,C22H24O9,COC1=CC2=C(C(=O)CC(O2)C2=CC=CC=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C22H24O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-8,14,17,19-23,25-27H,9-10H2,1H3",PKWCARAECWHBCL,UHFFFAOYSA,N,Pinostrobin 5-glucoside,PKWCARAECWHBCL-UHFFFAOYSA-N
HMDB40504,578.163555668,C27H30O14,CC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C=C(O4)C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O14/c1-10-20(32)21(33)23(35)26(37-10)41-25-18(9-28)40-27(24(36)22(25)34)39-17-7-13(30)6-16-19(17)14(31)8-15(38-16)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3",LRFDUPNLCDXZOE,UHFFFAOYSA,N,Camellianin B,LRFDUPNLCDXZOE-UHFFFAOYSA-N
HMDB40505,1054.534859686,C53H82O21,CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1,"InChI=1S/C53H82O21/c1-23-34(58)26(56)17-33(68-23)70-32-19-48(2,3)18-25-24-9-10-30-50(5)13-12-31(51(6,22-55)29(50)11-14-53(30,8)52(24,7)16-15-49(25,32)4)71-47-43(39(63)38(62)41(72-47)44(65)66)74-46-42(35(59)27(57)21-67-46)73-45-40(64)37(61)36(60)28(20-54)69-45/h9,25,27-33,35-43,45-47,54-55,57-64H,10-22H2,1-8H3,(H,65,66)",AKVKZWDTBCHBPM,UHFFFAOYSA,N,Soyasaponin aa,AKVKZWDTBCHBPM-UHFFFAOYSA-N
HMDB40506,552.147905604,C25H28O14,COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(OC)C(OC)=C(O)C(OC)=C2O1,"InChI=1S/C25H28O14/c1-33-11-7-9(5-6-10(11)27)19-24(39-25-17(31)16(30)14(28)12(8-26)37-25)15(29)13-20(34-2)22(35-3)18(32)23(36-4)21(13)38-19/h5-7,12,14,16-17,25-28,30-32H,8H2,1-4H3",HGPJRAPODVOCLC,UHFFFAOYSA,N,"3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-glucoside",HGPJRAPODVOCLC-UHFFFAOYSA-N
HMDB40507,580.179205732,C27H32O14,COC1=C(OC)C=C(C=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1,"InChI=1S/C27H32O14/c1-33-12-8-7-11(9-13(12)34-2)20-23(41-27-19(32)18(31)16(29)14(10-28)39-27)17(30)15-21(35-3)24(36-4)26(38-6)25(37-5)22(15)40-20/h7-9,14,16,18-19,27-29,31-32H,10H2,1-6H3",MSTIUVOQDAVXIA,UHFFFAOYSA,N,Natsudaidain 3-glucoside,MSTIUVOQDAVXIA-UHFFFAOYSA-N
HMDB40508,454.344695338,C30H46O3,CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C,"InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+",VOYZLKWKVLYJHD,KEBDBYFISA,N,Masticadienonic acid,VOYZLKWKVLYJHD-KEBDBYFISA-N
HMDB40509,478.111126168,C22H22O12,COC1=C(O)C2=C(OC(=CC2=O)C2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2)C=C1O,"InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-12(32-14)8-2-3-9(24)13(4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3",VYKCLUAGIMQEER,UHFFFAOYSA,N,6-Methoxyluteolin 3'-glucoside,VYKCLUAGIMQEER-UHFFFAOYSA-N
HMDB40510,478.111126168,C22H22O12,COC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C=C1O,"InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-13(32-14)8-2-3-12(9(24)4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3",FKEFURJFBYTFMP,UHFFFAOYSA,N,Eupafolin 4'-glucoside,FKEFURJFBYTFMP-UHFFFAOYSA-N
HMDB40511,446.121296924,C22H22O10,COC1=CC2=C(C(=O)C3=C(C=C(C)C=C3O)C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C22H22O10/c1-8-3-10-15(12(24)4-8)19(27)16-11(17(10)25)5-9(30-2)6-13(16)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3",POMKXWCJRHNLRP,UHFFFAOYSA,N,Physcionin,POMKXWCJRHNLRP-UHFFFAOYSA-N
HMDB40512,490.147511674,C24H26O11,COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1,"InChI=1S/C24H26O11/c1-30-12-6-4-11(5-7-12)14-8-13(26)18-15(33-14)9-16(22(31-2)23(18)32-3)34-24-21(29)20(28)19(27)17(10-25)35-24/h4-9,17,19-21,24-25,27-29H,10H2,1-3H3",GCAYMASOWMSYII,UHFFFAOYSA,N,"4',5,6-Trimethylscutellarein 7-glucoside",GCAYMASOWMSYII-UHFFFAOYSA-N
HMDB40513,480.10564686,C25H20O10,COC1=C(O)C=CC(=C1)C1OC2=C(OC1CO)C=CC(=C2)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-29,31H,10H2,1H3",BVKQRAYKLBRNIK,UHFFFAOYSA,N,"2,3-Dehydrosilybin",BVKQRAYKLBRNIK-UHFFFAOYSA-N
HMDB40514,480.10564686,C25H20O10,COC1=C(O)C=CC(=C1)C1OC2=C(C=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)C1CO,"InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3",SFNRHEPTJDJBPD,UHFFFAOYSA,N,"2,3-Dehydrosilychristin",SFNRHEPTJDJBPD-UHFFFAOYSA-N
HMDB40515,301.090999849,C11H15N3O7,NC(CCC(=O)NC(CN1OC(=O)C=C1)C(O)=O)C(O)=O,"InChI=1S/C11H15N3O7/c12-6(10(17)18)1-2-8(15)13-7(11(19)20)5-14-4-3-9(16)21-14/h3-4,6-7H,1-2,5,12H2,(H,13,15)(H,17,18)(H,19,20)",XXZPYJHULCBZPT,UHFFFAOYSA,N,gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine,XXZPYJHULCBZPT-UHFFFAOYSA-N
HMDB40516,468.396730908,C32H52O2,CC1CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4CCC3(C)C2C1C)OC(C)=O,"InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h10,20-21,23,25-27H,11-19H2,1-9H3",DTHUXXMWYWKQKX,UHFFFAOYSA,N,Bauerenyl acetate,DTHUXXMWYWKQKX-UHFFFAOYSA-N
HMDB40517,440.401816286,C31H52O,COC1CCC2(C)C3CCC4(C)C5C(C)C(C)CCC5(C)CCC4(C)C3=CCC2C1(C)C,"InChI=1S/C31H52O/c1-20-12-15-28(5)18-19-30(7)23-10-11-24-27(3,4)25(32-9)14-16-29(24,6)22(23)13-17-31(30,8)26(28)21(20)2/h10,20-22,24-26H,11-19H2,1-9H3",HMTYXVQACLXYEQ,UHFFFAOYSA,N,Methoxybauerenol,HMTYXVQACLXYEQ-UHFFFAOYSA-N
HMDB40518,99.068413915,C5H9NO,CC1OCC(C)=N1,"InChI=1S/C5H9NO/c1-4-3-7-5(2)6-4/h5H,3H2,1-2H3",XHHACWPFKDHDGD,UHFFFAOYSA,N,"2,5-Dihydro-2,4-dimethyloxazole",XHHACWPFKDHDGD-UHFFFAOYSA-N
HMDB40519,312.187800768,C24H24,C(CC1=CC=CC=C1)C1CCC(C2=CC=CC=C2)C2=CC=CC=C12,"InChI=1S/C24H24/c1-3-9-19(10-4-1)15-16-21-17-18-23(20-11-5-2-6-12-20)24-14-8-7-13-22(21)24/h1-14,21,23H,15-18H2",ILCNDBNTTSAFLO,UHFFFAOYSA,N,"1,2,3,4-Tetrahydro-1-phenyl-4-(2-phenylethyl)naphthalene",ILCNDBNTTSAFLO-UHFFFAOYSA-N
HMDB40520,312.187800768,C24H24,CC(C1CCC(C2=CC=CC=C2)C2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C24H24/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h2-15,18,21-22H,16-17H2,1H3",GJJWHYDGEZUFOW,UHFFFAOYSA,N,"1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene",GJJWHYDGEZUFOW-UHFFFAOYSA-N
HMDB40521,596.288637022,C36H40N2O6,O=C(\C=C\C1C(\C=C\C2=CC3=C(OCO3)C=C2)C(\C=C\C2=CC3=C(OCO3)C=C2)C1C(=O)N1CCCCC1)N1CCCCC1,"InChI=1S/C36H40N2O6/c39-34(37-17-3-1-4-18-37)16-13-29-27(11-7-25-9-14-30-32(21-25)43-23-41-30)28(35(29)36(40)38-19-5-2-6-20-38)12-8-26-10-15-31-33(22-26)44-24-42-31/h7-16,21-22,27-29,35H,1-6,17-20,23-24H2/b11-7+,12-8+,16-13+",ZWDCRRZEPLDPMM,DSBBEBOLSA,N,Dipiperamide D,ZWDCRRZEPLDPMM-DSBBEBOLSA-N
HMDB40522,570.272986958,C34H38N2O6,O=C(\C=C\C1C(\C=C\C2=CC3=C(OCO3)C=C2)C(C1C1=CC=C2OCOC2=C1)C(=O)N1CCCCC1)N1CCCCC1,"InChI=1S/C34H38N2O6/c37-31(35-15-3-1-4-16-35)14-11-25-26(10-7-23-8-12-27-29(19-23)41-21-39-27)33(34(38)36-17-5-2-6-18-36)32(25)24-9-13-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,32-33H,1-6,15-18,21-22H2/b10-7+,14-11+",MWYIPUPDBMGRSR,APBFJCRLSA,N,Dipiperamide E,MWYIPUPDBMGRSR-APBFJCRLSA-N
HMDB40523,792.465992262,C43H68O13,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(OC(C)=O)C1O,"InChI=1S/C43H68O13/c1-21-11-16-43(38(51)56-37-34(50)35(53-23(3)45)32(48)26(19-44)54-37)18-17-41(7)24(30(43)22(21)2)9-10-28-40(6)14-13-29(39(4,5)27(40)12-15-42(28,41)8)55-36-33(49)31(47)25(46)20-52-36/h9,21-22,25-37,44,46-50H,10-20H2,1-8H3",SWZMTTVYUGMJST,UHFFFAOYSA,N,Sanguisorbin E,SWZMTTVYUGMJST-UHFFFAOYSA-N
HMDB40524,588.402604146,C35H56O7,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(O)=O,"InChI=1S/C35H56O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19-20,22-29,36-38H,9-18H2,1-7H3,(H,39,40)",GZQIINDHMUJEAM,UHFFFAOYSA,N,Sanguisorbin B,GZQIINDHMUJEAM-UHFFFAOYSA-N
HMDB40525,374.20932407,C22H30O5,COC1=C(C=C2C(O)C3OC(=O)C4(CCCC(C)(C)C34)C2=C1OC)C(C)C,"InChI=1S/C22H30O5/c1-11(2)12-10-13-14(17(26-6)16(12)25-5)22-9-7-8-21(3,4)19(22)18(15(13)23)27-20(22)24/h10-11,15,18-19,23H,7-9H2,1-6H3",WLRZIPVGEMNPES,UHFFFAOYSA,N,"11,12-Dimethylrosmanol",WLRZIPVGEMNPES-UHFFFAOYSA-N
HMDB40526,140.083729628,C8H12O2,CC1=C(O)C(=O)CC1(C)C,"InChI=1S/C8H12O2/c1-5-7(10)6(9)4-8(5,2)3/h10H,4H2,1-3H3",LTRJTLUJZFBIEN,UHFFFAOYSA,N,"3,4,4-Trimethyl-1,2-cyclopentanedione",LTRJTLUJZFBIEN-UHFFFAOYSA-N
HMDB40527,364.406901664,C26H52,CCCCCCCCCCCCCCCCCCCCCCCCC=C,"InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3",OMXANELYEWRDAW,UHFFFAOYSA,N,1-Hexacosene,OMXANELYEWRDAW-UHFFFAOYSA-N
HMDB40528,150.031694058,C8H6O3,O=C1COC2=CC=CC=C2O1,"InChI=1S/C8H6O3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2",ULEKGOXADQVOIF,UHFFFAOYSA,N,"1,4-Benzodioxin-2(3H)-one",ULEKGOXADQVOIF-UHFFFAOYSA-N
HMDB40529,172.146329884,C10H20O2,CCCCC(=O)OCCC(C)C,"InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3",UBLAMKHIFZBBSS,UHFFFAOYSA,N,3-Methylbutyl pentanoate,UBLAMKHIFZBBSS-UHFFFAOYSA-N
HMDB40530,170.13067982,C10H18O2,CC(C)CCOC(=O)C=C(C)C,"InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3",DBGLRAHCYJTYEH,UHFFFAOYSA,N,Isopentyl 3-methyl-2-butenoate,DBGLRAHCYJTYEH-UHFFFAOYSA-N
HMDB40531,132.042258744,C5H8O4,CC(=O)CC(O)C(O)=O,"InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h4,7H,2H2,1H3,(H,8,9)",QTSNVMMGKAPSRT,UHFFFAOYSA,N,2-Hydroxy-4-oxopentanoic acid,QTSNVMMGKAPSRT-UHFFFAOYSA-N
HMDB40532,444.199547244,C21H32O10,CC1C(CC2C1C1OC(=O)C(O)(CO)C1CCC2=C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C21H32O10/c1-8-3-4-11-18(31-20(27)21(11,28)7-23)14-9(2)12(5-10(8)14)29-19-17(26)16(25)15(24)13(6-22)30-19/h9-19,22-26,28H,1,3-7H2,2H3",MVSPYXAIGOWGGA,UHFFFAOYSA,N,Cynaroside A,MVSPYXAIGOWGGA-UHFFFAOYSA-N
HMDB40533,462.13146768,C26H22O8,COC1=CC(=O)C23OC4(C=C(C2C1=O)C(C)=C)C3OC1=C(C(O)=CC2=C1C=CC(C)(C)O2)C4=O,"InChI=1S/C26H22O8/c1-11(2)13-10-25-22(30)18-14(27)8-15-12(6-7-24(3,4)33-15)21(18)32-23(25)26(34-25)17(28)9-16(31-5)20(29)19(13)26/h6-10,19,23,27H,1H2,2-5H3",NDLOJOBMSNOREU,UHFFFAOYSA,N,Artomunoxanthentrione epoxide,NDLOJOBMSNOREU-UHFFFAOYSA-N
HMDB40534,316.13107375,C18H20O5,COC1=CC2=C(CCC(O2)C2=CC(O)=C(OC)C(OC)=C2)C=C1,"InChI=1S/C18H20O5/c1-20-13-6-4-11-5-7-15(23-16(11)10-13)12-8-14(19)18(22-3)17(9-12)21-2/h4,6,8-10,15,19H,5,7H2,1-3H3",NOBIKWFGKRXGGQ,UHFFFAOYSA,N,"5'-Hydroxy-3',4',7-trimethoxyflavan",NOBIKWFGKRXGGQ-UHFFFAOYSA-N
HMDB40535,884.476950878,C45H72O17,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-41-37(54)34(51)39(29(17-47)59-41)61-40-36(53)33(50)38(21(3)56-40)60-42-35(52)32(49)31(48)28(16-46)58-42/h6,19-21,23-42,46-54H,7-18H2,1-5H3",YIINVROKKFPIQD,UHFFFAOYSA,N,Diosgenin 3-[glucosyl-(1->4)-rhamnosyl-(1->4)-glucoside],YIINVROKKFPIQD-UHFFFAOYSA-N
HMDB40536,434.121296924,C21H22O10,CC1OC(OC2=CC3=C(C=C2)C(=O)C(O)C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H22O10/c1-8-15(24)17(26)19(28)21(29-8)30-10-3-4-11-14(7-10)31-20(18(27)16(11)25)9-2-5-12(22)13(23)6-9/h2-8,15,17-24,26-28H,1H3",BNNJPJKHDDIDLD,UHFFFAOYSA,N,"(2R,3R)-3,3',4',7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside",BNNJPJKHDDIDLD-UHFFFAOYSA-N
HMDB40537,662.163555668,C34H30O14,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(C)=O)C(OC(C)=O)C1OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C34H30O14/c1-16-29(47-26(41)13-6-19-4-9-21(37)10-5-19)32(44-17(2)35)33(45-18(3)36)34(43-16)48-31-28(42)27-24(40)14-23(39)15-25(27)46-30(31)20-7-11-22(38)12-8-20/h4-16,29,32-34,37-40H,1-3H3/b13-6+",NEYRFFHYUHAXKD,AWNIVKPZSA,N,"Kaempferol 3-(2'',3''-diacetyl-4''-p-coumaroylrhamnoside)",NEYRFFHYUHAXKD-AWNIVKPZSA-N
HMDB40538,740.195249726,C36H36O17,C[C@@H]1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O[C@@H]2O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23+,26-,27+,29-,30+,31+,34+,35-,36?/m0/s1",KAJMZANRKFVVKV,CAUJCIISSA,N,Kaempferol 3-[2''-(p-coumaroylglucosyl)rhamnoside],KAJMZANRKFVVKV-CAUJCIISSA-N
HMDB40539,636.169034976,C29H32O16,CC1OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O,"InChI=1S/C29H32O16/c1-10-19(33)22(36)24(38)28(41-10)42-14-7-15(32)18-16(8-14)43-26(12-3-5-13(31)6-4-12)27(21(18)35)45-29-25(39)23(37)20(34)17(44-29)9-40-11(2)30/h3-8,10,17,19-20,22-25,28-29,31-34,36-39H,9H2,1-2H3",GMYLPJSOUAYAGD,UHFFFAOYSA,N,Kaempferol 3-(6''-acetylgalactoside) 7-rhamnoside,GMYLPJSOUAYAGD-UHFFFAOYSA-N
HMDB40540,740.195249726,C36H36O17,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C36H36O17/c1-15-32(52-36-30(46)28(44)26(42)23(51-36)14-48-24(41)11-4-16-2-7-18(37)8-3-16)29(45)31(47)35(49-15)53-34-27(43)25-21(40)12-20(39)13-22(25)50-33(34)17-5-9-19(38)10-6-17/h2-13,15,23,26,28-32,35-40,42,44-47H,14H2,1H3/b11-4+",VZCQGYCHGJQNAD,NYYWCZLTSA,N,Kaempferol 3-[4''-(p-coumaroylglucosyl)rhamnoside],VZCQGYCHGJQNAD-NYYWCZLTSA-N
HMDB40541,782.226943784,C35H42O20,CC1OC(OC2C(O)C(O)C(COC(C)=O)OC2OC2=C(OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C35H42O20/c1-11-21(39)25(43)28(46)33(49-11)51-16-8-17(38)20-18(9-16)52-30(14-4-6-15(37)7-5-14)31(24(20)42)54-35-32(27(45)23(41)19(53-35)10-48-13(3)36)55-34-29(47)26(44)22(40)12(2)50-34/h4-9,11-12,19,21-23,25-29,32-35,37-41,43-47H,10H2,1-3H3",PWWMGQJEFDUFKG,UHFFFAOYSA,N,Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside,PWWMGQJEFDUFKG-UHFFFAOYSA-N
HMDB40542,432.10564686,C21H20O10,CC(O)C1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C21H20O10/c1-8(22)18-16(27)17(28)21(30-18)31-20-15(26)14-12(25)6-11(24)7-13(14)29-19(20)9-2-4-10(23)5-3-9/h2-8,16-18,21-25,27-28H,1H3",FFFIPDPCGREKEW,UHFFFAOYSA,N,Kaempferol 3-O-alpha-L-rhamnofuranoside,FFFIPDPCGREKEW-UHFFFAOYSA-N
HMDB40543,756.21129372,C33H40O20,CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-13(49-32-27(45)24(42)20(38)16(8-34)51-32)7-15(18)50-29(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3",SCEPATPTKMFDSR,UHFFFAOYSA,N,Kaempferol 7-galactoside 3-rutinoside,SCEPATPTKMFDSR-UHFFFAOYSA-N
HMDB40544,550.168641046,C26H30O13,OCC1OC(OC2=CC3=C(C=C2)C(=O)CC(O3)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O,"InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-5-6-15-16(30)8-17(37-18(15)7-14)12-1-3-13(29)4-2-12/h1-7,17,19-25,27-29,31-34H,8-11H2",NLALNSGFXCKLLY,UHFFFAOYSA,N,Neoliquiritin 2''-apioside,NLALNSGFXCKLLY-UHFFFAOYSA-N
HMDB40545,416.147117744,C22H24O8,COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(C)C(O)C(O)C1O)C=C2,"InChI=1S/C22H24O8/c1-11-19(24)20(25)21(26)22(28-11)29-14-7-8-15-16(23)10-17(30-18(15)9-14)12-3-5-13(27-2)6-4-12/h3-9,11,17,19-22,24-26H,10H2,1-2H3",NWKQVQSCGKFWMB,UHFFFAOYSA,N,4'-Methylliquiritigenin 7-rhamnoside,NWKQVQSCGKFWMB-UHFFFAOYSA-N
HMDB40546,361.127385355,C17H19N3O6,CO\N=C(/C)C1=C(C(=O)OC)C(OC2=NC(OC)=CC(OC)=N2)=CC=C1,"InChI=1S/C17H19N3O6/c1-10(20-25-5)11-7-6-8-12(15(11)16(21)24-4)26-17-18-13(22-2)9-14(19-17)23-3/h6-9H,1-5H3/b20-10+",USSIUIGPBLPCDF,KEBDBYFISA,N,Pyriminobac-methyl,USSIUIGPBLPCDF-KEBDBYFISA-N
HMDB40548,784.148693464,C36H32O20,OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C2OC3=C(CC2O)C(O)=CC(O)=C3)C(O)C(O)C1O,"InChI=1S/C36H32O20/c37-8-21-27(47)31(51)32(52)36(55-21)56-35-30(50)24-15(41)2-10(39)4-20(24)54-34(35)13-7-17(43)26(46)29(49)23(13)22-12(6-16(42)25(45)28(22)48)33-18(44)5-11-14(40)1-9(38)3-19(11)53-33/h1-4,6-7,18,21,27,31-33,36-49,51-52H,5,8H2",KJHVUKFVUVEKRC,UHFFFAOYSA,N,Degalloyltheaflavonin,KJHVUKFVUVEKRC-UHFFFAOYSA-N
HMDB40549,118.041864814,C8H6O,OCC=C=CC#CC#C,"InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h1,5,7,9H,8H2",MFQBYQJLDHIYCH,UHFFFAOYSA,N,"xi-2,3-Octadiene-5,7-diyn-1-ol",MFQBYQJLDHIYCH-UHFFFAOYSA-N
HMDB40551,196.121177766,C10H16N2O2,NC(CCCCN1C=CC=C1)C(O)=O,"InChI=1S/C10H16N2O2/c11-9(10(13)14)5-1-2-6-12-7-3-4-8-12/h3-4,7-9H,1-2,5-6,11H2,(H,13,14)",KVCPIDDKLUDCQJ,UHFFFAOYSA,N,L-alpha-Amino-1H-pyrrole-1-hexanoic acid,KVCPIDDKLUDCQJ-UHFFFAOYSA-N
HMDB40552,399.131802031,C21H21NO7,CN(C)CCC1=CC2=C(OCO2)C=C1CC(=O)C1=C(C(O)=O)C2=C(OCO2)C=C1,"InChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25)",ZWRGIDKDYJXLHP,UHFFFAOYSA,N,Adlumidiceine,ZWRGIDKDYJXLHP-UHFFFAOYSA-N
HMDB40553,458.375995466,C30H50O3,CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C,"InChI=1S/C30H50O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-22,24,32-33H,8-18H2,1-7H3",JCGYBQRUVSZLCH,UHFFFAOYSA,N,"(3b,24x)-Cycloartane-3-oxo-24,25-diol",JCGYBQRUVSZLCH-UHFFFAOYSA-N
HMDB40555,406.126382302,C20H22O9,OCC1OC(OC2=CC(\C=C/C3=C(O)C=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-14-6-10(5-13(23)7-14)1-2-11-3-4-12(22)8-15(11)24/h1-8,16-27H,9H2/b2-1-",GGQVPULXXVQLRT,UPHRSURJSA,N,(E)-Oxyresveratrol 3'-O-b-D-glucoside,GGQVPULXXVQLRT-UPHRSURJSA-N
HMDB40556,400.115817616,C21H20O8,OCC1OC(OC2=CC=CC3=C2C(=O)C=C(O3)C2=CC=CC=C2)C(O)C(O)C1O,"InChI=1S/C21H20O8/c22-10-16-18(24)19(25)20(26)21(29-16)28-14-8-4-7-13-17(14)12(23)9-15(27-13)11-5-2-1-3-6-11/h1-9,16,18-22,24-26H,10H2",KCTFPBYBZISAEX,UHFFFAOYSA,N,5-Hydroxyflavone,KCTFPBYBZISAEX-UHFFFAOYSA-N
HMDB40557,290.093642386,C11H18N2O5S,C\C=C\SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,5,7-8H,3-4,6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b5-2+/t7-,8-/m0/s1",MUFSTXJBHAEIBT,ZASJQLQOSA,N,N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine,MUFSTXJBHAEIBT-ZASJQLQOSA-N
HMDB40558,356.147117744,C17H24O8,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(CCC(C)=O)=C1,"InChI=1S/C17H24O8/c1-9(19)3-4-10-5-6-11(12(7-10)23-2)24-17-16(22)15(21)14(20)13(8-18)25-17/h5-7,13-18,20-22H,3-4,8H2,1-2H3",GXSGZLLXMDVQAS,UHFFFAOYSA,N,Zingerone glucoside,GXSGZLLXMDVQAS-UHFFFAOYSA-N
HMDB40559,612.169034976,C27H32O16,OCC1OC(OC2C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H32O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-33,35-38H,7-8H2",LYZCSBKUDSHVOD,UHFFFAOYSA,N,"Aromadendrin 3,7-diglucoside",LYZCSBKUDSHVOD-UHFFFAOYSA-N
HMDB40560,302.07903818,C16H14O6,COC1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1,"InChI=1S/C16H14O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,15-19H,1H3",JRLDUAGSJUMVDP,UHFFFAOYSA,N,"4',5,7-Trihydroxy-3-methoxyflavanone",JRLDUAGSJUMVDP-UHFFFAOYSA-N
HMDB40561,448.136946988,C22H24O10,COC1=CC=C(C=C1)C1OC2=CC(OC3OC(C)C(O)C(O)C3O)=CC(O)=C2C(=O)C1O,"InChI=1S/C22H24O10/c1-9-16(24)18(26)20(28)22(30-9)31-12-7-13(23)15-14(8-12)32-21(19(27)17(15)25)10-3-5-11(29-2)6-4-10/h3-9,16,18-24,26-28H,1-2H3",KDOAIGQCYMINEB,UHFFFAOYSA,N,Aromadendrin 4'-methyl ether 7-rhamnoside,KDOAIGQCYMINEB-UHFFFAOYSA-N
HMDB40562,740.216379098,C33H40O19,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3",WRXVPTMENPZUIZ,UHFFFAOYSA,N,Mauritianin,WRXVPTMENPZUIZ-UHFFFAOYSA-N
HMDB40563,316.188588628,C16H28O6,CC(=C)C1CCC(COC2OC(CO)C(O)C(O)C2O)CC1,"InChI=1S/C16H28O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h10-20H,1,3-8H2,2H3",MONAHUOUARCHLM,UHFFFAOYSA,N,Perilloside C,MONAHUOUARCHLM-UHFFFAOYSA-N
HMDB40565,396.142032366,C19H24O9,CC(O)CC1=CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C=C2C,"InChI=1S/C19H24O9/c1-8-3-10(27-19-18(25)17(24)16(23)14(7-20)28-19)6-13-15(8)12(22)5-11(26-13)4-9(2)21/h3,5-6,9,14,16-21,23-25H,4,7H2,1-2H3",OUFZAUOJAQUDOD,UHFFFAOYSA,N,Aloesol 7-glucoside,OUFZAUOJAQUDOD-UHFFFAOYSA-N
HMDB40566,338.20932407,C19H30O5,CCCCCC(O)CC(CCC1=CC(OC)=C(O)C=C1)OC(C)=O,"InChI=1S/C19H30O5/c1-4-5-6-7-16(21)13-17(24-14(2)20)10-8-15-9-11-18(22)19(12-15)23-3/h9,11-12,16-17,21-22H,4-8,10,13H2,1-3H3",OEGIGAPIFHYJOL,UHFFFAOYSA,N,[6]-Gingerdiol 3-acetate,OEGIGAPIFHYJOL-UHFFFAOYSA-N
HMDB40567,338.20932407,C19H30O5,CCCCCC(CC(O)CCC1=CC(OC)=C(O)C=C1)OC(C)=O,"InChI=1S/C19H30O5/c1-4-5-6-7-17(24-14(2)20)13-16(21)10-8-15-9-11-18(22)19(12-15)23-3/h9,11-12,16-17,21-22H,4-8,10,13H2,1-3H3",SLEAGHNVFZTGGH,UHFFFAOYSA,N,[6]-Gingerdiol 5-acetate,SLEAGHNVFZTGGH-UHFFFAOYSA-N
HMDB40568,380.219888756,C21H32O6,CCCCCC(CC(CCC1=CC(OC)=C(O)C=C1)OC(C)=O)OC(C)=O,"InChI=1S/C21H32O6/c1-5-6-7-8-18(26-15(2)22)14-19(27-16(3)23)11-9-17-10-12-20(24)21(13-17)25-4/h10,12-13,18-19,24H,5-9,11,14H2,1-4H3",PXBFKEHWQRAQQD,UHFFFAOYSA,N,"[6]-Gingerdiol 3,5-diacetate",PXBFKEHWQRAQQD-UHFFFAOYSA-N
HMDB40569,394.23553882,C22H34O6,CCCCCC(CC(CCC1=CC(OC)=C(OC)C=C1)OC(C)=O)OC(C)=O,"InChI=1S/C22H34O6/c1-6-7-8-9-19(27-16(2)23)15-20(28-17(3)24)12-10-18-11-13-21(25-4)22(14-18)26-5/h11,13-14,19-20H,6-10,12,15H2,1-5H3",QCJKXQWAFFZFLJ,UHFFFAOYSA,N,"3'-Methoxy-[6]-Gingerdiol 3,5-diacetate",QCJKXQWAFFZFLJ-UHFFFAOYSA-N
HMDB40570,354.058696668,C15H14O10,OC(=O)CC(O)(C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O)C(O)=O,"InChI=1S/C15H14O10/c16-9-4-1-8(2-5-9)3-6-11(19)25-12(13(20)21)15(24,14(22)23)7-10(17)18/h1-6,12,16,24H,7H2,(H,17,18)(H,20,21)(H,22,23)/b6-3+",ZHUVVSHTKJAVQB,ZZXKWVIFSA,N,2-O-p-Coumaroylhydroxycitric acid,ZHUVVSHTKJAVQB-ZZXKWVIFSA-N
HMDB40571,384.069261354,C16H16O11,COC1=C(O)C=CC(\C=C\C(=O)OC(C(O)=O)C(O)(CC(O)=O)C(O)=O)=C1,"InChI=1S/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+",QAEWENIBBUMYIB,HWKANZROSA,N,2-O-Feruloylhydroxycitric acid,QAEWENIBBUMYIB-HWKANZROSA-N
HMDB40572,370.05361129,C15H14O11,OC(=O)CC(O)(C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)C(O)=O,"InChI=1S/C15H14O11/c16-8-3-1-7(5-9(8)17)2-4-11(20)26-12(13(21)22)15(25,14(23)24)6-10(18)19/h1-5,12,16-17,25H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+",OUWOVSUGDPWIBY,DUXPYHPUSA,N,2-O-Caffeoylhydroxycitric acid,OUWOVSUGDPWIBY-DUXPYHPUSA-N
HMDB40573,228.11100701,C10H16N2O4,CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O,"InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3",BGRWYDHXPHLNKA,UHFFFAOYSA,N,Tetraacetylethylenediamine,BGRWYDHXPHLNKA-UHFFFAOYSA-N
HMDB40575,102.068079564,C5H10O2,CCCCOC=O,"InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3",NMJJFJNHVMGPGM,UHFFFAOYSA,N,Butyl formate,NMJJFJNHVMGPGM-UHFFFAOYSA-N
HMDB40576,90.05032101,C4H10S,CSC(C)C,"InChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3",ROSSIHMZZJOVOU,UHFFFAOYSA,N,2-(Methylthio)propane,ROSSIHMZZJOVOU-UHFFFAOYSA-N
HMDB40577,162.068079564,C10H10O2,O=COC\C=C/C1=CC=CC=C1,"InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4-",LBHJXKYRYCUGPD,DAXSKMNVSA,N,Cinnamyl formate,LBHJXKYRYCUGPD-DAXSKMNVSA-N
HMDB40578,151.009184477,C7H5NOS,OC1=CC=C(SC#N)C=C1,"InChI=1S/C7H5NOS/c8-5-10-7-3-1-6(9)2-4-7/h1-4,9H",FMRRFPFZGPDDLZ,UHFFFAOYSA,N,4-Thiocyanatophenol,FMRRFPFZGPDDLZ-UHFFFAOYSA-N
HMDB40579,88.0524295,C4H8O2,CC(C)OC=O,"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3",RMOUBSOVHSONPZ,UHFFFAOYSA,N,Isopropyl formate,RMOUBSOVHSONPZ-UHFFFAOYSA-N
HMDB40580,116.029585568,C5H8OS,CC1=C(S)CCO1,"InChI=1S/C5H8OS/c1-4-5(7)2-3-6-4/h7H,2-3H2,1H3",IHRSRTFITLMUQC,UHFFFAOYSA,N,Dihydro-2-methyl-3(2H)-furanthione,IHRSRTFITLMUQC-UHFFFAOYSA-N
HMDB40581,142.135765198,C9H18O,CC\C=C/CCCCCO,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h3-4,10H,2,5-9H2,1H3/b4-3-",XJHRZBIBSSVCEL,ARJAWSKDSA,N,(Z)-6-Nonen-1-ol,XJHRZBIBSSVCEL-ARJAWSKDSA-N
HMDB40582,109.052763851,C6H7NO,CN1C=CC=C1C=O,"InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3",OUKQTRFCDKSEPL,UHFFFAOYSA,N,1-Methyl-2-pyrrolecarboxaldehyde,OUKQTRFCDKSEPL-UHFFFAOYSA-N
HMDB40583,178.099379692,C11H14O2,CC(C)COC(=O)C1=CC=CC=C1,"InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",KYZHGEFMXZOSJN,UHFFFAOYSA,N,2-Methylpropyl benzoate,KYZHGEFMXZOSJN-UHFFFAOYSA-N
HMDB40584,84.057514878,C5H8O,CC1=COCC1,"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3",FWGYRFWKBWPRJD,UHFFFAOYSA,N,"2,3-Dihydro-4-methylfuran",FWGYRFWKBWPRJD-UHFFFAOYSA-N
HMDB40585,197.983423236,C4H6O7S,OC(=O)CC(C(O)=O)S(O)(=O)=O,"InChI=1S/C4H6O7S/c5-3(6)1-2(4(7)8)12(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)",ULUAUXLGCMPNKK,UHFFFAOYSA,N,(±)-Sulfobutanedioic acid,ULUAUXLGCMPNKK-UHFFFAOYSA-N
HMDB40586,412.370516158,C29H48O,CCC(CCC(C)C1CCC2\C(CCCC12C)=C/C=C1/CC(O)CCC1=C)C(C)C,"InChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13-,25-14-",RMDJVOZETBHEAR,YQTKFLBZSA,N,Vitamin D5,RMDJVOZETBHEAR-YQTKFLBZSA-N
HMDB40587,96.057514878,C6H8O,CCC1=CC=CO1,"InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3",HLPIHRDZBHXTFJ,UHFFFAOYSA,N,2-Ethylfuran,HLPIHRDZBHXTFJ-UHFFFAOYSA-N
HMDB40588,96.057514878,C6H8O,CCC1=COC=C1,"InChI=1S/C6H8O/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3",RPCHNECSJGMRGP,UHFFFAOYSA,N,3-Ethylfuran,RPCHNECSJGMRGP-UHFFFAOYSA-N
HMDB40589,154.045235632,C8H10OS,CC(=O)C1=C(C)SC(C)=C1,"InChI=1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3",PUSJAEJRDNPYKM,UHFFFAOYSA,N,"3-Acetyl-2,5-dimethylthiophene",PUSJAEJRDNPYKM-UHFFFAOYSA-N
HMDB40590,170.0223917,C8H10S2,CSSCC1=CC=CC=C1,"InChI=1S/C8H10S2/c1-9-10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",NWYGPVZOBBHKLI,UHFFFAOYSA,N,Benzyl methyl disulfide,NWYGPVZOBBHKLI-UHFFFAOYSA-N
HMDB40591,128.083729628,C7H12O2,CCCC(=O)OCC=C,"InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3",RMZIOVJHUJAAEY,UHFFFAOYSA,N,Allyl butyrate,RMZIOVJHUJAAEY-UHFFFAOYSA-N
HMDB40592,162.068079564,C10H10O2,C=CCOC(=O)C1=CC=CC=C1,"InChI=1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7H,1,8H2",LYJHVEDILOKZCG,UHFFFAOYSA,N,Allyl benzoate,LYJHVEDILOKZCG-UHFFFAOYSA-N
HMDB40593,184.146329884,C11H20O2,CCCCCCCC(=O)OCC=C,"InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3",PZGMUSDNQDCNAG,UHFFFAOYSA,N,2-Propenyl octanoate,PZGMUSDNQDCNAG-UHFFFAOYSA-N
HMDB40594,128.047344122,C6H8O3,CC1OC(C)=C(O)C1=O,"InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3",INAXVXBDKKUCGI,UHFFFAOYSA,N,(±)-Furaneol,INAXVXBDKKUCGI-UHFFFAOYSA-N
HMDB40595,182.13067982,C11H18O2,C=CCOC(=O)CC1CCCCC1,"InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2",UECFOOSFSUDPOR,UHFFFAOYSA,N,Allyl cyclohexylacetate,UECFOOSFSUDPOR-UHFFFAOYSA-N
HMDB40597,265.110278729,C17H15NO2,COC1=CC2=C(C=C1)N(C)C(=CC2=O)C1=CC=CC=C1,"InChI=1S/C17H15NO2/c1-18-15-9-8-13(20-2)10-14(15)17(19)11-16(18)12-6-4-3-5-7-12/h3-11H,1-2H3",GFUAPSNFZWUMBP,UHFFFAOYSA,N,Eduline,GFUAPSNFZWUMBP-UHFFFAOYSA-N
HMDB40598,270.255880332,C17H34O2,CCCCCC(C)CCCCCCCCCC(O)=O,"InChI=1S/C17H34O2/c1-3-4-10-13-16(2)14-11-8-6-5-7-9-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)",AOKNWGQMRWJWFS,UHFFFAOYSA,N,(±)-11-Methylhexadecanoic acid,AOKNWGQMRWJWFS-UHFFFAOYSA-N
HMDB40599,330.03266843,C17H12Cl2N2O,OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl,"InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H",NHOWDZOIZKMVAI,UHFFFAOYSA,N,(±)-Fenarimol,NHOWDZOIZKMVAI-UHFFFAOYSA-N
HMDB40600,376.136946988,C16H24O10,COC1=C(O)C=CC(=C1)C(O)C(O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H24O10/c1-24-10-4-7(2-3-8(10)18)12(20)9(19)6-25-16-15(23)14(22)13(21)11(5-17)26-16/h2-4,9,11-23H,5-6H2,1H3",JUYHDXTVLYGGTJ,UHFFFAOYSA,N,"(1x,2x)-Guaiacylglycerol 3-glucoside",JUYHDXTVLYGGTJ-UHFFFAOYSA-N
HMDB40601,346.126382302,C15H22O9,OCC(OC1OC(CO)C(O)C(O)C1O)C(O)C1=CC=C(O)C=C1,"InChI=1S/C15H22O9/c16-5-9(11(19)7-1-3-8(18)4-2-7)23-15-14(22)13(21)12(20)10(6-17)24-15/h1-4,9-22H,5-6H2",NHBYOQPNAVRZAE,UHFFFAOYSA,N,"(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside",NHBYOQPNAVRZAE-UHFFFAOYSA-N
HMDB40602,346.126382302,C15H22O9,OCC1OC(OCC(O)C(O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C15H22O9/c16-5-10-12(20)13(21)14(22)15(24-10)23-6-9(18)11(19)7-1-3-8(17)4-2-7/h1-4,9-22H,5-6H2",PUGXDKPZBZICDX,UHFFFAOYSA,N,"(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranoside",PUGXDKPZBZICDX-UHFFFAOYSA-N
HMDB40603,184.073558872,C9H12O4,OCC(O)C(O)C1=CC=C(O)C=C1,"InChI=1S/C9H12O4/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-13H,5H2",DGMSJCVOBYTYTE,UHFFFAOYSA,N,"(±)-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol",DGMSJCVOBYTYTE-UHFFFAOYSA-N
HMDB40604,578.127170162,C26H26O15,COC1=CC2=C(OCO2)C=C1C1COC2=CC(OC3OC(COC(=O)CC(O)=O)C(O)C(O)C3O)=CC(O)=C2C1=O,"InChI=1S/C26H26O15/c1-35-14-5-16-15(38-9-39-16)4-11(14)12-7-36-17-3-10(2-13(27)21(17)22(12)31)40-26-25(34)24(33)23(32)18(41-26)8-37-20(30)6-19(28)29/h2-5,12,18,23-27,32-34H,6-9H2,1H3,(H,28,29)",LTKZEZHCMRVAQG,UHFFFAOYSA,N,Cicerin 7-(6-malonylglucoside),LTKZEZHCMRVAQG-UHFFFAOYSA-N
HMDB40605,422.20932407,C26H30O5,COC1=C2CC(COC2=CC2=C1CCC(C)(C)O2)C1=C2OC(C)(C)C=CC2=C(O)C=C1,"InChI=1S/C26H30O5/c1-25(2)11-9-18-22(30-25)13-21-19(23(18)28-5)12-15(14-29-21)16-6-7-20(27)17-8-10-26(3,4)31-24(16)17/h6-8,10,13,15,27H,9,11-12,14H2,1-5H3",POHNDGZXXXCXFF,UHFFFAOYSA,N,Kanzonol J,POHNDGZXXXCXFF-UHFFFAOYSA-N
HMDB40606,436.224974134,C27H32O5,COC1=CC2=C(CC(CO2)C2=C3OC(C)(C)C=CC3=C(O)C=C2)C(OC)=C1CC=C(C)C,"InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3",RVKDAOFCDAPVGX,UHFFFAOYSA,N,Kanzonol I,RVKDAOFCDAPVGX-UHFFFAOYSA-N
HMDB40607,424.224974134,C26H32O5,COC1=C2CC(COC2=CC2=C1CCC(C)(C)O2)C1=C(O)C(CC=C(C)C)=C(O)C=C1,"InChI=1S/C26H32O5/c1-15(2)6-7-18-21(27)9-8-17(24(18)28)16-12-20-22(30-14-16)13-23-19(25(20)29-5)10-11-26(3,4)31-23/h6,8-9,13,16,27-28H,7,10-12,14H2,1-5H3",JRVDUBFSQWHYRJ,UHFFFAOYSA,N,Kanzonol H,JRVDUBFSQWHYRJ-UHFFFAOYSA-N
HMDB40608,420.193674006,C26H28O5,COC1=C(CC=C(C)C)C(O)=CC2=C1C1OC3=C(C=C4C=CC(C)(C)OC4=C3)C1CO2,"InChI=1S/C26H28O5/c1-14(2)6-7-16-19(27)11-22-23(24(16)28-5)25-18(13-29-22)17-10-15-8-9-26(3,4)31-20(15)12-21(17)30-25/h6,8-12,18,25,27H,7,13H2,1-5H3",SVHCNENPWOPFOI,UHFFFAOYSA,N,Kanzonol F,SVHCNENPWOPFOI-UHFFFAOYSA-N
HMDB40609,428.074346732,C21H16O10,OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C2=C1C=C(C=C(O)C2=O)C(O)=O,"InChI=1S/C21H16O10/c22-8-3-12(23)11-6-15(26)20(31-16(11)4-8)10-5-14(25)19(28)17-9(10)1-7(21(29)30)2-13(24)18(17)27/h1-5,15,20,22-23,25-26,28H,6H2,(H,24,27)(H,29,30)",SDSXQESYQIRNNR,UHFFFAOYSA,N,Theaflavic acid,SDSXQESYQIRNNR-UHFFFAOYSA-N
HMDB40610,580.085305348,C28H20O14,OC(=O)C1=CC2=C(C(O)=C(O)C=C2C2OC3=CC(O)=CC(O)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(=O)C(O)=C1,"InChI=1S/C28H20O14/c29-11-5-15(30)14-8-21(42-28(40)10-3-16(31)23(35)17(32)4-10)26(41-20(14)6-11)13-7-19(34)25(37)22-12(13)1-9(27(38)39)2-18(33)24(22)36/h1-7,21,26,29-32,34-35,37H,8H2,(H,33,36)(H,38,39)",RQTWDINIJYBFNS,UHFFFAOYSA,N,Epitheaflavic acid 3'-gallate,RQTWDINIJYBFNS-UHFFFAOYSA-N
HMDB40611,328.224974134,C18H32O5,CCCCC\C=C\CC(O)C(O)C(=O)CCCCCCC(O)=O,"InChI=1S/C18H32O5/c1-2-3-4-5-6-9-12-15(19)18(23)16(20)13-10-7-8-11-14-17(21)22/h6,9,15,18-19,23H,2-5,7-8,10-14H2,1H3,(H,21,22)/b9-6+",NIOKCFABUMZUDL,RMKNXTFCSA,N,"(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid",NIOKCFABUMZUDL-RMKNXTFCSA-N
HMDB40612,177.042593095,C9H7NO3,CC(=O)C1=C2NC(=O)OC2=CC=C1,"InChI=1S/C9H7NO3/c1-5(11)6-3-2-4-7-8(6)10-9(12)13-7/h2-4H,1H3,(H,10,12)",FZAQRVWPQCXSPC,UHFFFAOYSA,N,4-Acetyl-2(3H)-benzoxazolone,FZAQRVWPQCXSPC-UHFFFAOYSA-N
HMDB40613,438.204238692,C26H30O6,COC1=CC2=C(C(=O)C(CO2)C2=C(O)C(CC=C(C)C)=C(O)C=C2)C(O)=C1CC=C(C)C,"InChI=1S/C26H30O6/c1-14(2)6-8-17-20(27)11-10-16(24(17)28)19-13-32-22-12-21(31-5)18(9-7-15(3)4)25(29)23(22)26(19)30/h6-7,10-12,19,27-29H,8-9,13H2,1-5H3",OWVFKLIUBOKWCT,UHFFFAOYSA,N,Kanzonol G,OWVFKLIUBOKWCT-UHFFFAOYSA-N
HMDB40614,388.209718,C19H32O8,CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(=O)CC1(C)C,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+",QFTPTUOKFIIFJH,AATRIKPKSA,N,Dihydroroseoside,QFTPTUOKFIIFJH-AATRIKPKSA-N
HMDB40615,226.15689457,C13H22O3,CC(O)\C=C\C1(O)C(C)CC(=O)CC1(C)C,"InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+",IHDJYDVWNNFPHR,AATRIKPKSA,N,"4,5-Dihydrovomifoliol",IHDJYDVWNNFPHR-AATRIKPKSA-N
HMDB40616,1060.545424372,C52H84O22,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C52H84O22/c1-47(2)14-15-52(46(66)74-44-40(65)37(62)35(60)27(71-44)21-69-42-38(63)32(57)24(54)19-67-42)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(33(58)25(55)20-68-45)73-43-39(64)36(61)34(59)26(18-53)70-43/h8,23-45,53-65H,9-21H2,1-7H3",NWNUTSZTAUGIGA,UHFFFAOYSA,N,Dulcin,NWNUTSZTAUGIGA-UHFFFAOYSA-N
HMDB40617,1190.608418558,C58H94O25,CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(O)CC43C)C(=O)OC3OCC(O)C(O)C3OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2(C)C)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C58H94O25/c1-23-44(80-47-40(69)34(63)27(60)21-74-47)38(67)42(71)48(76-23)79-33-13-14-55(7)30(54(33,5)6)12-15-56(8)31(55)11-10-25-26-18-53(3,4)16-17-58(26,32(62)19-57(25,56)9)52(73)83-51-46(35(64)28(61)22-75-51)82-49-43(72)39(68)45(24(2)77-49)81-50-41(70)37(66)36(65)29(20-59)78-50/h10,23-24,26-51,59-72H,11-22H2,1-9H3",PLKRAHMPROXVOQ,UHFFFAOYSA,N,Helianthoside B,PLKRAHMPROXVOQ-UHFFFAOYSA-N
HMDB40618,470.33960996,C30H46O4,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C30H46O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-21,23,32H,9-17H2,1-7H3,(H,33,34)",NMCMUIZIKSPDCX,UHFFFAOYSA,N,16-Hydroxy-3-oxo-12-oleanen-28-oic acid,NMCMUIZIKSPDCX-UHFFFAOYSA-N
HMDB40619,358.214409448,C22H30O4,CC(C)=CCC\C(C)=C/CC\C(C)=C\CC1=CC(=CC(O)=C1O)C(O)=O,"InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9-,17-11+",VWHKYMBCXCSQEZ,KKYJLSSQSA,N,Piperoic acid,VWHKYMBCXCSQEZ-KKYJLSSQSA-N
HMDB40620,418.126382302,C21H22O9,OC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=CC=C3)=C2C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H22O9/c22-10-15-17(24)18(25)19(26)21(30-15)29-14-9-13(23)8-12(16(14)20(27)28)7-6-11-4-2-1-3-5-11/h1-9,15,17-19,21-26H,10H2,(H,27,28)/b7-6+/t15-,17-,18+,19-,21-/m1/s1",GQIUCJBQLDCVPS,BNVRZUOOSA,N,Gaylussacin,GQIUCJBQLDCVPS-BNVRZUOOSA-N
HMDB40621,330.095082174,C14H18O9,CC(=O)C1=C(O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C=C1O,"InChI=1S/C14H18O9/c1-4(16)8-5(17)2-6(18)9(11(8)20)14-13(22)12(21)10(19)7(3-15)23-14/h2,7,10,12-15,17-22H,3H2,1H3",IWMUXTZLTOTAQO,UHFFFAOYSA,N,"3'-Glucosyl-2',4',6'-trihydroxyacetophenone",IWMUXTZLTOTAQO-UHFFFAOYSA-N
HMDB40622,482.10604079,C21H22O13,CC(=O)C1=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O,"InChI=1S/C21H22O13/c1-6(23)13-8(24)4-9(25)14(17(13)30)19-20(18(31)16(29)12(5-22)33-19)34-21(32)7-2-10(26)15(28)11(27)3-7/h2-4,12,16,18-20,22,24-31H,5H2,1H3",ABXKUABLJLHDAO,UHFFFAOYSA,N,3'-(2''-Galloylglucosyl)-phloroacetophenone,ABXKUABLJLHDAO-UHFFFAOYSA-N
HMDB40623,482.10604079,C21H22O13,CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O)C=C1O,"InChI=1S/C21H22O13/c1-6(22)13-8(23)4-9(24)14(17(13)29)20-19(31)18(30)16(28)12(34-20)5-33-21(32)7-2-10(25)15(27)11(26)3-7/h2-4,12,16,18-20,23-31H,5H2,1H3",OSPSKZAEYSNSGH,UHFFFAOYSA,N,3'-(6''-Galloylglucosyl)-phloroacetophenone,OSPSKZAEYSNSGH-UHFFFAOYSA-N
HMDB40624,634.116999406,C28H26O17,CC(=O)C1=C(O)C(C2OC(CO)C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O,"InChI=1S/C28H26O17/c1-8(30)18-11(31)6-12(32)19(23(18)40)24-26(45-28(42)10-4-15(35)21(38)16(36)5-10)25(22(39)17(7-29)43-24)44-27(41)9-2-13(33)20(37)14(34)3-9/h2-6,17,22,24-26,29,31-40H,7H2,1H3",NJYDDAGEVQMOBI,UHFFFAOYSA,N,"3'-(2'',3''-Digalloylglucosyl)-phloroacetophenone",NJYDDAGEVQMOBI-UHFFFAOYSA-N
HMDB40625,634.116999406,C28H26O17,CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O,"InChI=1S/C28H26O17/c1-8(29)18-11(30)6-12(31)19(23(18)39)25-26(45-28(42)10-4-15(34)21(37)16(35)5-10)24(40)22(38)17(44-25)7-43-27(41)9-2-13(32)20(36)14(33)3-9/h2-6,17,22,24-26,30-40H,7H2,1H3",OERBJDHTUNHWHD,UHFFFAOYSA,N,"3'-(2'',6''-Digalloylglucosyl)-phloroacetophenone",OERBJDHTUNHWHD-UHFFFAOYSA-N
HMDB40626,786.127958022,C35H30O21,CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O,"InChI=1S/C35H30O21/c1-10(36)23-14(37)8-15(38)24(29(23)49)30-32(56-35(52)13-6-20(43)27(47)21(44)7-13)31(55-34(51)12-4-18(41)26(46)19(42)5-12)28(48)22(54-30)9-53-33(50)11-2-16(39)25(45)17(40)3-11/h2-8,22,28,30-32,37-49H,9H2,1H3",AAXKOSGKHIOTGK,UHFFFAOYSA,N,"2'',3'',6''-Tris-O-(3,4,5-trihydroxybenzoyl)-3'-Glucosyl-2',4',6'-trihydroxyacetophenone",AAXKOSGKHIOTGK-UHFFFAOYSA-N
HMDB40627,938.138916638,C42H34O25,CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O,"InChI=1S/C42H34O25/c1-12(43)28-17(44)10-18(45)29(34(28)58)36-38(67-42(62)16-8-25(52)33(57)26(53)9-16)37(66-41(61)15-6-23(50)32(56)24(51)7-15)35(65-40(60)14-4-21(48)31(55)22(49)5-14)27(64-36)11-63-39(59)13-2-19(46)30(54)20(47)3-13/h2-10,27,35-38,44-58H,11H2,1H3",GAJWEROGFQRXSF,UHFFFAOYSA,N,"3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone",GAJWEROGFQRXSF-UHFFFAOYSA-N
HMDB40628,936.123266574,C42H32O25,CC(=O)C1=C(O)C=C(O)C(C2OC3COC(=O)C4=C(O)C(O)=C(O)C=C4C4=C(C(O)=C(O)C(O)=C4)C(=O)OC3C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O,"InChI=1S/C42H32O25/c1-10(43)24-15(44)8-16(45)27(32(24)56)36-38(67-40(60)12-4-19(48)29(53)20(49)5-12)37(66-39(59)11-2-17(46)28(52)18(47)3-11)35-23(64-36)9-63-41(61)25-13(6-21(50)30(54)33(25)57)14-7-22(51)31(55)34(58)26(14)42(62)65-35/h2-8,23,35-38,44-58H,9H2,1H3",MSGAMBMKPONZHA,UHFFFAOYSA,N,"3'-(2'',3''-Digalloyl-4'',6''-hexahydroxydiphenoylglucosyl)-phloroacetophenone",MSGAMBMKPONZHA-UHFFFAOYSA-N
HMDB40629,224.104859,C12H16O4,CCC(=O)C1=CC(OC)=C(OC)C=C1OC,"InChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3",KUQHFNICKXWOBZ,UHFFFAOYSA,N,Isoacoramone,KUQHFNICKXWOBZ-UHFFFAOYSA-N
HMDB40630,260.068473494,C14H12O5,CC1(O)OC(=O)C=C1C1=COC2=C(C1)C=CC(O)=C2,"InChI=1S/C14H12O5/c1-14(17)11(6-13(16)19-14)9-4-8-2-3-10(15)5-12(8)18-7-9/h2-3,5-7,15,17H,4H2,1H3",AICICGKRUHSXCE,UHFFFAOYSA,N,Pratenol A,AICICGKRUHSXCE-UHFFFAOYSA-N
HMDB40631,304.058302738,C15H12O7,OC(=O)CC(=O)C(=C\C(O)=O)\C1=CC2=C(OC1)C=C(O)C=C2,"InChI=1S/C15H12O7/c16-10-2-1-8-3-9(7-22-13(8)4-10)11(5-14(18)19)12(17)6-15(20)21/h1-5,16H,6-7H2,(H,18,19)(H,20,21)/b11-5+",WKBLWDNPQQYILN,VZUCSPMQSA,N,Pratenol B,WKBLWDNPQQYILN-VZUCSPMQSA-N
HMDB40632,354.095082174,C16H18O9,CC1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(O)C=C2O,"InChI=1S/C16H18O9/c1-5-2-6(18)10-7(19)3-8(20)11(15(10)24-5)16-14(23)13(22)12(21)9(4-17)25-16/h2-3,9,12-14,16-17,19-23H,4H2,1H3",UDTUCCXZNVRBEJ,UHFFFAOYSA,N,Isobiflorin,UDTUCCXZNVRBEJ-UHFFFAOYSA-N
HMDB40633,506.10604079,C23H22O13,CC1=CC(=O)C2=C(O1)C(C1OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C1O)=C(O)C=C2O,"InChI=1S/C23H22O13/c1-7-2-9(24)15-10(25)5-11(26)16(21(15)35-7)22-20(32)19(31)18(30)14(36-22)6-34-23(33)8-3-12(27)17(29)13(28)4-8/h2-5,14,18-20,22,25-32H,6H2,1H3",LEHONRZMEVUGDI,UHFFFAOYSA,N,Isobiflorin 6''-gallate,LEHONRZMEVUGDI-UHFFFAOYSA-N
HMDB40634,356.198759384,C22H28O4,CC(C)=CCC\C(C)=C/CCC1OC2=C(O)C=C(C=C2CC1=C)C(O)=O,"InChI=1S/C22H28O4/c1-14(2)7-5-8-15(3)9-6-10-20-16(4)11-17-12-18(22(24)25)13-19(23)21(17)26-20/h7,9,12-13,20,23H,4-6,8,10-11H2,1-3H3,(H,24,25)/b15-9-",XBOKPWYVDNVFMX,DHDCSXOGSA,N,Piperochromanoic acid,XBOKPWYVDNVFMX-DHDCSXOGSA-N
HMDB40635,340.203844762,C22H28O3,CC(C)=CCC\C(C)=C\CCC1(C)OC2=CC=C(C=C2C=C1)C(O)=O,"InChI=1S/C22H28O3/c1-16(2)7-5-8-17(3)9-6-13-22(4)14-12-18-15-19(21(23)24)10-11-20(18)25-22/h7,9-12,14-15H,5-6,8,13H2,1-4H3,(H,23,24)/b17-9+",MSDAWPKHHPLFBC,RQZCQDPDSA,N,Piperochromenoic acid,MSDAWPKHHPLFBC-RQZCQDPDSA-N
HMDB40636,520.194461866,C26H32O11,COC1=CC(\C=C/CO)=CC2=C1OC(C2CO)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1,"InChI=1S/C26H32O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h3-6,8-10,16,20-24,26-32H,7,11-12H2,1-2H3/b4-3-",SPWHQAUMLDQOFU,ARJAWSKDSA,N,"(7'S,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside",SPWHQAUMLDQOFU-ARJAWSKDSA-N
HMDB40637,196.073558872,C10H12O4,CCCC(=O)C1=C(O)C=C(C)OC1=O,"InChI=1S/C10H12O4/c1-3-4-7(11)9-8(12)5-6(2)14-10(9)13/h5,12H,3-4H2,1-2H3",CVTPSMRXSUPVPJ,UHFFFAOYSA,N,4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one,CVTPSMRXSUPVPJ-UHFFFAOYSA-N
HMDB40638,136.0524295,C8H8O2,C\C(C=O)=C\C1=COC=C1,"InChI=1S/C8H8O2/c1-7(5-9)4-8-2-3-10-6-8/h2-6H,1H3/b7-4-",WHDVHEXMVPUJNI,DAXSKMNVSA,N,3-(3-Furanyl)-2-methyl-2-propenal,WHDVHEXMVPUJNI-DAXSKMNVSA-N
HMDB40639,168.115029756,C10H16O2,CC\C=C/CCC1CCC(=O)O1,"InChI=1S/C10H16O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3-",NKNGVPNCSFZRSM,ARJAWSKDSA,N,(xi)-(Z)-5-(3-Hexenyl)dihydro-2(3H)-furanone,NKNGVPNCSFZRSM-ARJAWSKDSA-N
HMDB40640,306.219494826,C19H30O3,CCCCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h12,14-15,21H,3-11,13H2,1-2H3",TYQRTQZWHUXDLG,UHFFFAOYSA,N,[8]-Paradol,TYQRTQZWHUXDLG-UHFFFAOYSA-N
HMDB40641,348.230059512,C21H32O4,CCCCCCCCCC(=O)CCC1=CC(OC)=C(OC(C)=O)C=C1,"InChI=1S/C21H32O4/c1-4-5-6-7-8-9-10-11-19(23)14-12-18-13-15-20(25-17(2)22)21(16-18)24-3/h13,15-16H,4-12,14H2,1-3H3",JYCJDSPNULQUKV,UHFFFAOYSA,N,[8]-Paradyl acetate,JYCJDSPNULQUKV-UHFFFAOYSA-N
HMDB40642,334.250794954,C21H34O3,CCCCCCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h14,16-17,23H,3-13,15H2,1-2H3",XNBUKRQGYHYOOP,UHFFFAOYSA,N,[10]-Paradol,XNBUKRQGYHYOOP-UHFFFAOYSA-N
HMDB40643,282.198365454,C20H26O,COC1=CC=C(\C=C/CC(C=C(C)C)\C=C(\C)C=C)C=C1,"InChI=1S/C20H26O/c1-6-17(4)15-19(14-16(2)3)9-7-8-18-10-12-20(21-5)13-11-18/h6-8,10-15,19H,1,9H2,2-5H3/b8-7-,17-15-",FNNVIJKTAGXPFS,DMMNKWGDSA,N,Juvocimene 1,FNNVIJKTAGXPFS-DMMNKWGDSA-N
HMDB40644,298.193280076,C20H26O2,COC1=CC=C(\C=C/CC(\C=C(\C)C=C)C2OC2(C)C)C=C1,"InChI=1S/C20H26O2/c1-6-15(2)14-17(19-20(3,4)22-19)9-7-8-16-10-12-18(21-5)13-11-16/h6-8,10-14,17,19H,1,9H2,2-5H3/b8-7-,15-14-",JVHUDTINIJAQHA,XWUSKMMESA,N,Juvocimene 2,JVHUDTINIJAQHA-XWUSKMMESA-N
HMDB40645,166.062994186,C9H10O3,OCCC(=O)C1=CC=C(O)C=C1,"InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2",LTEPZFZSPZASKJ,UHFFFAOYSA,N,3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone,LTEPZFZSPZASKJ-UHFFFAOYSA-N
HMDB40646,294.18310932,C17H26O4,CCCCCCCCCCCC1=CC(=O)C(O)=C(O)C1=O,"InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(18)16(20)17(21)15(13)19/h12,20-21H,2-11H2,1H3",JPFXYNDBKFIYLX,UHFFFAOYSA,N,Myrsinone,JPFXYNDBKFIYLX-UHFFFAOYSA-N
HMDB40647,528.220676616,C25H36O12,CC12C3C(C(O)=O)C45CC(CCC4C3(CCC1O)OC2=O)C(O)(COC1OC(CO)C(O)C(O)C1O)C5,"InChI=1S/C25H36O12/c1-22-13(27)4-5-25(37-21(22)33)12-3-2-10-6-23(12,14(18(22)25)19(31)32)8-24(10,34)9-35-20-17(30)16(29)15(28)11(7-26)36-20/h10-18,20,26-30,34H,2-9H2,1H3,(H,31,32)",XKXOQMAKWNRIFD,UHFFFAOYSA,N,"16,17-Dihydro-16a,17-dihydroxygibberellin A4 17-glucoside",XKXOQMAKWNRIFD-UHFFFAOYSA-N
HMDB40648,346.141638436,C19H22O6,CC12C=CC(O)C3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)6-3-10(17)19-11(20)4-5-16(2,15(23)25-19)13(19)12(17)14(21)22/h4-5,10-13,20,24H,1,3,6-8H2,2H3,(H,21,22)",NYKKBHKMCOFCSE,UHFFFAOYSA,N,Gibberellin A92,NYKKBHKMCOFCSE-UHFFFAOYSA-N
HMDB40649,526.205026552,C25H34O12,CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C=CC2O)C(O)(COC1OC(CO)C(O)C(O)C1O)C5,"InChI=1S/C25H34O12/c1-22-13(27)4-5-25(37-21(22)33)12-3-2-10-6-23(12,14(18(22)25)19(31)32)8-24(10,34)9-35-20-17(30)16(29)15(28)11(7-26)36-20/h4-5,10-18,20,26-30,34H,2-3,6-9H2,1H3,(H,31,32)",MYDOPTAGDBJRRW,UHFFFAOYSA,N,"16,17-Dihydro-16a,17-dihydroxygibberellin A7 17-glucoside",MYDOPTAGDBJRRW-UHFFFAOYSA-N
HMDB40650,650.381868704,C39H54O8,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)\C=C\C6=CC=C(O)C(O)=C6)C(C)(C)C5CCC34C)C2C1(C)O)C(O)=O,"InChI=1S/C39H54O8/c1-22-14-17-39(33(44)45)19-18-36(5)24(31(39)38(22,7)46)10-12-29-35(4)21-27(42)32(34(2,3)28(35)15-16-37(29,36)6)47-30(43)13-9-23-8-11-25(40)26(41)20-23/h8-11,13,20,22,27-29,31-32,40-42,46H,12,14-19,21H2,1-7H3,(H,44,45)/b13-9+",MFPIVTNHMCQSEM,UKTHLTGXSA,N,3-trans-Caffeoyltormentic acid,MFPIVTNHMCQSEM-UKTHLTGXSA-N
HMDB40651,364.152203122,C19H24O7,CC12CC(O)C(O)C3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-12(11(17)14(22)23)16(2,15(24)26-19)6-9(20)13(19)21/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)",VDQMXBWLDLPSSR,UHFFFAOYSA,N,Gibberellin A91,VDQMXBWLDLPSSR-UHFFFAOYSA-N
HMDB40652,456.360345402,C30H48O3,CC(C)C1CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC45C)(OC2=O)C13,"InChI=1S/C30H48O3/c1-18(2)19-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,23(19)29)33-24(29)32/h18-23,31H,8-17H2,1-7H3",WWTOMNCQRGHYPI,UHFFFAOYSA,N,"3-Hydroxy-28,13-lupanolide",WWTOMNCQRGHYPI-UHFFFAOYSA-N
HMDB40653,792.429606756,C42H64O14,[H][C@]12CCC3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)C(=O)OCC1=C2C(=O)O[C@@H]1CC=C(C)C,"InChI=1S/C42H64O14/c1-19(2)9-11-23-21-17-52-38(50)42(8)22(28(21)35(49)54-23)10-12-26-40(6)15-14-27(39(4,5)25(40)13-16-41(26,42)7)56-37-34(48)32(46)30(44)24(55-37)18-51-36-33(47)31(45)29(43)20(3)53-36/h9,20,22-27,29-34,36-37,43-48H,10-18H2,1-8H3/t20-,22+,23+,24+,25?,26?,27-,29-,30+,31+,32-,33+,34+,36+,37-,40-,41+,42-/m0/s1",MRRXLUATSGZGMZ,BDLJIMIMSA,N,Mabioside C,MRRXLUATSGZGMZ-BDLJIMIMSA-N
HMDB40654,1038.47054487,C48H78O22S,CC1OC(OC2C(O)C(OC3OC(CO)C(O)C(O)C3O)C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)OS(O)(=O)=O)C(O)C(C)=C)C3(C)C)OC2CO)C(O)C(O)C1O,"InChI=1S/C48H78O22S/c1-20(2)29(51)23-15-46(8,70-71(59,60)61)39-22-9-10-27-44(6)13-12-28(43(4,5)26(44)11-14-45(27,7)47(22)18-48(39,69-23)62-19-47)66-42-38(68-41-35(57)33(55)31(53)24(16-49)64-41)36(58)37(25(17-50)65-42)67-40-34(56)32(54)30(52)21(3)63-40/h21-42,49-58H,1,9-19H2,2-8H3,(H,59,60,61)",WESPIIDSVYCNKJ,UHFFFAOYSA,N,Mabioside E,WESPIIDSVYCNKJ-UHFFFAOYSA-N
HMDB40655,798.476556948,C42H70O14,CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(C)(O)C(CC=C(C)C)OC6(O)C(O)C54C)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C42H70O14/c1-19(2)10-13-26-41(9,50)33-21-11-12-24-38(6)16-15-25(37(4,5)23(38)14-17-39(24,7)40(21,8)36(49)42(33,51)56-26)55-35-32(48)30(46)28(44)22(54-35)18-52-34-31(47)29(45)27(43)20(3)53-34/h10,20-36,43-51H,11-18H2,1-9H3",ORJZPSXCNAQWIV,UHFFFAOYSA,N,Mabioside D,ORJZPSXCNAQWIV-UHFFFAOYSA-N
HMDB40656,598.402210216,C40H54O4,C\C(\C=C/C=C(/C)\C=C\C1=C(C)C(O)C(O)CC1(C)C)=C/C=C/C=C(/C)\C=C/C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C,"InChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13-,18-14-,23-21+,24-22+,27-15+,28-16-,29-19-,30-20-",DNKQGUYVWUAYIE,BNNCDEBLSA,N,Idoxanthin,DNKQGUYVWUAYIE-BNNCDEBLSA-N
HMDB40657,566.412380972,C40H54O2,C\C(\C=C\C=C(/C)\C=C/C(=O)C1(C)CC(=O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24-,30-16+,31-17+,32-20+,33-21+",UUXLNVZUEHNBBR,XFFFSCILSA,N,Cryptocapsone,UUXLNVZUEHNBBR-XFFFSCILSA-N
HMDB40658,784.460906884,C41H68O14,CC(C)(O)\C=C\CC(C)(O)C1C2CCC3C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC3(C)C2(COC2OC(CO)C(O)C(O)C2O)CC1=O,"InChI=1S/C41H68O14/c1-36(2,50)13-8-14-40(7,51)28-21-9-10-26-38(5)15-12-27(55-34-32(48)29(45)23(44)19-52-34)37(3,4)25(38)11-16-39(26,6)41(21,17-22(28)43)20-53-35-33(49)31(47)30(46)24(18-42)54-35/h8,13,21,23-35,42,44-51H,9-12,14-20H2,1-7H3/b13-8+",VBKOGDDRGMIPNJ,MDWZMJQESA,N,Hoduloside VI,VBKOGDDRGMIPNJ-MDWZMJQESA-N
HMDB40659,930.518815692,C47H78O18,CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C(C(=O)CC43COC3OC(CO)C(O)C(O)C3O)C(C)(O)C\C=C\C(C)(C)O)C2(C)C)C(O)C(O)C1O,"InChI=1S/C47H78O18/c1-22-31(51)34(54)37(57)40(62-22)65-38-32(52)25(50)20-60-41(38)64-29-13-16-44(6)27(43(29,4)5)12-17-45(7)28(44)11-10-23-30(46(8,59)15-9-14-42(2,3)58)24(49)18-47(23,45)21-61-39-36(56)35(55)33(53)26(19-48)63-39/h9,14,22-23,25-41,48,50-59H,10-13,15-21H2,1-8H3/b14-9+",YAFOSOWHFJFSLN,NTEUORMPSA,N,Hoduloside VII,YAFOSOWHFJFSLN-NTEUORMPSA-N
HMDB40660,916.503165628,C46H76O18,CC(C)(O)\C=C\CC(C)(O)C1C2CCC3C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC3(C)C2(COC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)CC1=O,"InChI=1S/C46H76O18/c1-41(2,57)13-8-14-45(7,58)30-22-9-10-28-43(5)15-12-29(64-39-36(55)32(51)25(49)19-60-39)42(3,4)27(43)11-16-44(28,6)46(22,17-23(30)47)21-62-40-37(56)34(53)33(52)26(63-40)20-61-38-35(54)31(50)24(48)18-59-38/h8,13,22,24-40,48-58H,9-12,14-21H2,1-7H3/b13-8+",RDSYZBZVCGNHLV,MDWZMJQESA,N,Hoduloside VIII,RDSYZBZVCGNHLV-MDWZMJQESA-N
HMDB40661,1062.561074436,C52H86O22,CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C(C(=O)CC43COC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C(C)(O)C\C=C\C(C)(C)O)C2(C)C)C(O)C(O)C1O,"InChI=1S/C52H86O22/c1-23-33(56)37(60)41(64)45(71-23)74-42-35(58)27(55)20-68-46(42)73-31-13-16-49(6)29(48(31,4)5)12-17-50(7)30(49)11-10-24-32(51(8,66)15-9-14-47(2,3)65)25(53)18-52(24,50)22-70-44-40(63)38(61)36(59)28(72-44)21-69-43-39(62)34(57)26(54)19-67-43/h9,14,23-24,26-46,54-66H,10-13,15-22H2,1-8H3/b14-9+",APVZJAWOWWMSMG,NTEUORMPSA,N,Hoduloside IX,APVZJAWOWWMSMG-NTEUORMPSA-N
HMDB40662,1092.571639122,C53H88O23,CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C(C(=O)CC43COC3OC(CO)C(O)C(O)C3O)C(C)(O)C\C=C\C(C)(C)O)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C53H88O23/c1-23-33(58)39(64)43(75-45-41(66)38(63)36(61)28(20-55)73-45)47(71-23)76-42-34(59)26(57)21-69-46(42)74-31-13-16-50(6)29(49(31,4)5)12-17-51(7)30(50)11-10-24-32(52(8,68)15-9-14-48(2,3)67)25(56)18-53(24,51)22-70-44-40(65)37(62)35(60)27(19-54)72-44/h9,14,23-24,26-47,54-55,57-68H,10-13,15-22H2,1-8H3/b14-9+",MCLHEEFYPPASJO,NTEUORMPSA,N,Hoduloside X,MCLHEEFYPPASJO-NTEUORMPSA-N
HMDB40663,342.13146768,C16H22O8,COCC1(O)C2CC3(C(C)CCC3(O)C11COC1=O)C(O)C(=O)O2,"InChI=1S/C16H22O8/c1-8-3-4-16(21)13(8)5-9(24-11(18)10(13)17)15(20,7-22-2)14(16)6-23-12(14)19/h8-10,17,20-21H,3-7H2,1-2H3",LXPKORXZVZPYLY,UHFFFAOYSA,N,Veranisatin A,LXPKORXZVZPYLY-UHFFFAOYSA-N
HMDB40664,356.110732238,C16H20O9,COC(=O)C1(O)C2CC3(C(C)CCC3(O)C11COC1=O)C(O)C(=O)O2,"InChI=1S/C16H20O9/c1-7-3-4-15(21)13(7)5-8(25-10(18)9(13)17)16(22,12(20)23-2)14(15)6-24-11(14)19/h7-9,17,21-22H,3-6H2,1-2H3",BPDHZCGFGOWILW,UHFFFAOYSA,N,Veranisatin B,BPDHZCGFGOWILW-UHFFFAOYSA-N
HMDB40665,1112.561468366,C52H88O25,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C,"InChI=1S/C52H88O25/c1-20(19-69-46-41(65)37(61)34(58)29(15-53)71-46)8-11-52(68-5)21(2)33-28(77-52)13-25-23-7-6-22-12-27(26(57)14-51(22,4)24(23)9-10-50(25,33)3)70-47-43(67)40(64)44(32(18-56)74-47)75-49-45(39(63)36(60)31(17-55)73-49)76-48-42(66)38(62)35(59)30(16-54)72-48/h20-49,53-67H,6-19H2,1-5H3",CKNKYVMVZPUAOQ,UHFFFAOYSA,N,Capsicoside C,CKNKYVMVZPUAOQ-UHFFFAOYSA-N
HMDB40666,1274.614291796,C58H98O30,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C,"InChI=1S/C58H98O30/c1-21(20-78-51-44(73)40(69)36(65)30(15-59)80-51)8-11-58(77-5)22(2)35-29(88-58)13-26-24-7-6-23-12-28(27(64)14-57(23,4)25(24)9-10-56(26,35)3)79-52-47(76)43(72)48(34(19-63)84-52)85-55-50(87-54-46(75)42(71)38(67)32(17-61)82-54)49(39(68)33(18-62)83-55)86-53-45(74)41(70)37(66)31(16-60)81-53/h21-55,59-76H,6-20H2,1-5H3",XWRUXKJSSDFCCN,UHFFFAOYSA,N,Capsicoside B,XWRUXKJSSDFCCN-UHFFFAOYSA-N
HMDB40667,634.386954082,C39H54O7,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(CO)C5CCC34C)C2C1(C)O)C(O)=O,"InChI=1S/C39H54O7/c1-24-15-20-39(33(43)44)22-21-36(4)27(32(39)38(24,6)45)12-13-29-34(2)18-17-30(35(3,23-40)28(34)16-19-37(29,36)5)46-31(42)14-9-25-7-10-26(41)11-8-25/h7-12,14,24,28-30,32,40-41,45H,13,15-23H2,1-6H3,(H,43,44)/b14-9+",WSWPNGAODCKAHB,NTEUORMPSA,N,3-trans-p-Coumaroylrotundic acid,WSWPNGAODCKAHB-NTEUORMPSA-N
HMDB40668,372.214803378,C19H32O7,CC(CCC1C(C)=CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3",NYLNHNDMNOPWAZ,UHFFFAOYSA,N,Blumenol C glucoside,NYLNHNDMNOPWAZ-UHFFFAOYSA-N
HMDB40669,844.300108726,C38H52O21,COC1=C(O)C=CC(=C1)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C38H52O21/c1-50-20-7-14(3-5-18(20)41)33-16-11-53-34(17(16)12-52-33)15-4-6-19(21(8-15)51-2)55-38-35(59-37-32(49)29(46)26(43)23(10-40)57-37)30(47)27(44)24(58-38)13-54-36-31(48)28(45)25(42)22(9-39)56-36/h3-8,16-17,22-49H,9-13H2,1-2H3",VICAQHYHEATZHF,UHFFFAOYSA,N,(+)-Pinoresinol 4-O-[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside],VICAQHYHEATZHF-UHFFFAOYSA-N
HMDB40670,328.13107375,C19H20O5,C\C=C(\C)C(=O)OC1CC2=C(OC1(C)C)C=C1OC(=O)C=CC1=C2,"InChI=1S/C19H20O5/c1-5-11(2)18(21)23-16-9-13-8-12-6-7-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/b11-5-",AGABNGOXUSXQDD,WZUFQYTHSA,N,Acutilobin,AGABNGOXUSXQDD-WZUFQYTHSA-N
HMDB40671,602.345483198,C34H50O9,CCCCOC12CC=CC(=O)C1(C)C1CCC3(C)C(O)(CCC3(O)C(C)(O)C3CC(C)=C(C)C(=O)O3)C1CC2OC(C)=O,"InChI=1S/C34H50O9/c1-8-9-17-41-33-13-10-11-25(36)30(33,6)23-12-14-29(5)32(39,24(23)19-27(33)42-22(4)35)15-16-34(29,40)31(7,38)26-18-20(2)21(3)28(37)43-26/h10-11,23-24,26-27,38-40H,8-9,12-19H2,1-7H3",BUTLOLBCWDNVGA,UHFFFAOYSA,N,Physapruin B,BUTLOLBCWDNVGA-UHFFFAOYSA-N
HMDB40672,502.241412058,C24H38O11,CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+",DQQUPMXQGJRNAW,AATRIKPKSA,N,3-Oxo-alpha-ionol 9-[apiosyl-(1->6)-glucoside],DQQUPMXQGJRNAW-AATRIKPKSA-N
HMDB40673,382.10525293,C21H18O7,COC1=CC2=C(C(O)=C1)C(=O)C1=C(O2)C2=C3C(C1)C(C)(C)OC3=C(O)C=C2O,"InChI=1S/C21H18O7/c1-21(2)10-6-9-18(25)16-11(22)4-8(26-3)5-14(16)27-19(9)17-12(23)7-13(24)20(28-21)15(10)17/h4-5,7,10,22-24H,6H2,1-3H3",NMKFZSNRHNHWLX,UHFFFAOYSA,N,Artonin K,NMKFZSNRHNHWLX-UHFFFAOYSA-N
HMDB40674,396.120902994,C22H20O7,COC1=CC2=C(C(O)=C1)C(=O)C1=C(O2)C2=C3C(C1)C(C)(C)OC3=C(O)C=C2OC,"InChI=1S/C22H20O7/c1-22(2)11-7-10-19(25)17-12(23)5-9(26-3)6-15(17)28-20(10)18-14(27-4)8-13(24)21(29-22)16(11)18/h5-6,8,11,23-24H,7H2,1-4H3",LDQNIBPJKBVZEF,UHFFFAOYSA,N,Artonin L,LDQNIBPJKBVZEF-UHFFFAOYSA-N
HMDB40675,436.152203122,C25H24O7,CC(C)=CCC1=C(O)C2=C3C(CC4=C2OC2=CC(O)=CC(O)=C2C4=O)C(C)(C)OC3=C1O,"InChI=1S/C25H24O7/c1-10(2)5-6-12-20(28)19-17-14(25(3,4)32-24(17)22(12)30)9-13-21(29)18-15(27)7-11(26)8-16(18)31-23(13)19/h5,7-8,14,26-28,30H,6,9H2,1-4H3",WQIPFMCXBWXUAV,UHFFFAOYSA,N,Artonin J,WQIPFMCXBWXUAV-UHFFFAOYSA-N
HMDB40676,560.13186161,C30H24O11,OC1CC2=C(OC1C1=CC(O)=CC(O)=C1)C1=C(OC3(OC4=C(C1C3O)C(O)=CC(O)=C4)C1=CC=C(O)C=C1)C=C2O,"InChI=1S/C30H24O11/c31-14-3-1-13(2-4-14)30-29(38)26(24-20(36)8-17(34)9-22(24)40-30)25-23(41-30)11-19(35)18-10-21(37)27(39-28(18)25)12-5-15(32)7-16(33)6-12/h1-9,11,21,26-27,29,31-38H,10H2",FCJSPNBYCRWDHZ,UHFFFAOYSA,N,"(2S,2'R,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,3',5,5',7-pentahydroxyflavan",FCJSPNBYCRWDHZ-UHFFFAOYSA-N
HMDB40677,612.169034976,C27H32O16,OCC1OC(C(O)C(O)C1O)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)\C=C/C2=CC=C(O)C=C2)C1=O,"InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-41H,7-8H2/b6-3-",LIPJRCGLQNIXGO,UTCJRWHESA,N,Hydroxysafflor yellow A,LIPJRCGLQNIXGO-UTCJRWHESA-N
HMDB40678,576.126776232,C30H24O12,OC1CC2=C3OC4(OC5=C(C(C4O)C3=C(O)C=C2OC1C1=CC(O)=C(O)C=C1)C(O)=CC(O)=C5)C1=CC=C(O)C(O)=C1,"InChI=1S/C30H24O12/c31-13-7-19(36)24-23(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-20(37)10-22-14(28(25)42-30)9-21(38)27(40-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26-27,29,31-39H,9H2",SHYPVJZSIOEHJY,UHFFFAOYSA,N,"Epicatechin-(2beta->5,4beta->6)-ent-epicatechin",SHYPVJZSIOEHJY-UHFFFAOYSA-N
HMDB40679,258.089208936,C15H14O4,OC1C(O)C2=CC=CC=C2OC1C1=CC=C(O)C=C1,"InChI=1S/C15H14O4/c16-10-7-5-9(6-8-10)15-14(18)13(17)11-3-1-2-4-12(11)19-15/h1-8,13-18H",HGNZPAIPVKRUKE,UHFFFAOYSA,N,"(2S,3R,4R)-3,4,4'-Trihydroxyflavan",HGNZPAIPVKRUKE-UHFFFAOYSA-N
HMDB40680,520.100561482,C27H20O11,OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC2=C(O\C(=C/C3=CC(O)=C(O)C=C3)C(=O)O2)C=C1,"InChI=1S/C27H20O11/c28-17-5-1-15(9-19(17)30)12-23(26(33)34)37-25(32)8-4-14-3-7-21-22(11-14)38-27(35)24(36-21)13-16-2-6-18(29)20(31)10-16/h1-11,13,23,28-31H,12H2,(H,33,34)/b8-4+,24-13-",QKDZPQYDQYXJCV,YIZZYABDSA,N,Melitric acid B,QKDZPQYDQYXJCV-YIZZYABDSA-N
HMDB40681,538.111126168,C27H22O12,OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(O\C(=C/C2=CC(O)=C(O)C=C2)C(O)=O)C=C1,"InChI=1S/C27H22O12/c28-17-5-1-15(10-19(17)30)12-23(26(34)35)38-22-7-3-14(9-21(22)32)4-8-25(33)39-24(27(36)37)13-16-2-6-18(29)20(31)11-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-",MZSGWZGPESCJAN,JKXXRSRDSA,N,Melitric acid A,MZSGWZGPESCJAN-JKXXRSRDSA-N
HMDB40682,650.381868704,C39H54O8,CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COC(=O)\C=C\C6=CC=C(O)C=C6)C5CCC34C)C2C1(C)O)C(O)=O,"InChI=1S/C39H54O8/c1-23-15-18-39(33(44)45)20-19-36(4)26(31(39)38(23,6)46)12-13-29-34(2)21-27(41)32(43)35(3,28(34)16-17-37(29,36)5)22-47-30(42)14-9-24-7-10-25(40)11-8-24/h7-12,14,23,27-29,31-32,40-41,43,46H,13,15-22H2,1-6H3,(H,44,45)/b14-9+",SWEBUECVVVXRRV,NTEUORMPSA,N,23-trans-p-Coumaroyloxytormentic acid,SWEBUECVVVXRRV-NTEUORMPSA-N
HMDB40683,287.079372531,C15H13NO5,COC1=C(O)C=CC2=C1N(C)C1=C(C(O)=CC(O)=C1)C2=O,"InChI=1S/C15H13NO5/c1-16-9-5-7(17)6-11(19)12(9)14(20)8-3-4-10(18)15(21-2)13(8)16/h3-6,17-19H,1-2H3",QNXGBYOUHGRJCI,UHFFFAOYSA,N,Grandisine III,QNXGBYOUHGRJCI-UHFFFAOYSA-N
HMDB40684,569.350508997,C37H47NO4,CC(=C)C1OC2CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5CC6C(=CC(C)(C)OC6(C)C)C5=C4)CCC3(O)C2=CC1O,"InChI=1S/C37H47NO4/c1-19(2)31-29(39)17-27-30(41-31)10-11-35(7)36(8)21(9-12-37(27,35)40)15-24-23-13-20-14-26-25(18-33(3,4)42-34(26,5)6)22(20)16-28(23)38-32(24)36/h13,16-18,21,26,29-31,38-40H,1,9-12,14-15H2,2-8H3",HVLXXQDJGPKVMK,UHFFFAOYSA,N,Janthitrem C,HVLXXQDJGPKVMK-UHFFFAOYSA-N
HMDB40685,252.172544634,C15H24O3,CC(CCO)\C=C\C1(O)C(C)=CC(=O)CC1(C)C,"InChI=1S/C15H24O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5,7,9,11,16,18H,6,8,10H2,1-4H3/b7-5+",JIXIFPSGUSMCIL,FNORWQNLSA,N,"2,3-Dihydroabscisic alcohol",JIXIFPSGUSMCIL-FNORWQNLSA-N
HMDB40686,218.167065326,C15H22O,CC(=C)C1=C(CC(C)(O)C=C)C=C(C)CC1,"InChI=1S/C15H22O/c1-6-15(5,16)10-13-9-12(4)7-8-14(13)11(2)3/h6,9,16H,1-2,7-8,10H2,3-5H3",ZIVKTIMZADKFSV,UHFFFAOYSA,N,Isohumbertiol,ZIVKTIMZADKFSV-UHFFFAOYSA-N
HMDB40687,818.39361518,C39H62O18,CC1OC(OCC2OC(OC(C)(CC3=C(CCC(C)=C3)C(C)=C)C=C)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C39H62O18/c1-9-39(8,13-20-12-16(4)10-11-21(20)15(2)3)57-38-34(28(45)25(42)22(54-38)14-50-35-30(47)26(43)23(40)17(5)51-35)56-37-32(49)29(46)33(19(7)53-37)55-36-31(48)27(44)24(41)18(6)52-36/h9,12,17-19,22-38,40-49H,1-2,10-11,13-14H2,3-8H3",BFNFFYBOJHJTBC,UHFFFAOYSA,N,"(3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside]",BFNFFYBOJHJTBC-UHFFFAOYSA-N
HMDB40688,994.440959302,C49H70O21,COC1=C(O)C=CC(\C=C/C(=O)OC2C(C)OC(OCC3OC(OC(C)(CC4=C(CCC(C)=C4)C(C)=C)C=C)C(OC4OC(C)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)=C1,"InChI=1S/C49H70O21/c1-10-49(8,19-27-17-22(4)11-14-28(27)21(2)3)70-48-44(69-47-41(60)38(57)43(25(7)65-47)68-46-39(58)35(54)33(52)23(5)63-46)36(55)34(53)31(66-48)20-62-45-40(59)37(56)42(24(6)64-45)67-32(51)16-13-26-12-15-29(50)30(18-26)61-9/h10,12-13,15-18,23-25,31,33-48,50,52-60H,1-2,11,14,19-20H2,3-9H3/b16-13-",UGYZEBXYEVENGE,SSZFMOIBSA,N,"(3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnopyranosyl-(1->4)-rhamnopyranosyl-(1->2)-[(E)-feruloyl-(->4)-rhamnosyl-(1->6)]-glucoside]",UGYZEBXYEVENGE-SSZFMOIBSA-N
HMDB40689,594.137340918,C30H26O13,OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+",DVGGLGXQSFURLP,XCVCLJGOSA,N,6''-O-p-Coumaroyltrifolin,DVGGLGXQSFURLP-XCVCLJGOSA-N
HMDB40690,354.095082174,C16H18O9,OC1CC(O)(CC(OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C1O)C(O)=O,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+",CWVRJTMFETXNAD,DUXPYHPUSA,N,5Z-Caffeoylquinic acid,CWVRJTMFETXNAD-DUXPYHPUSA-N
HMDB40691,428.18350325,C24H28O7,C\C=C(\C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)CC(C)C,"InChI=1S/C24H28O7/c1-7-14(4)23(27)30-21-19-16(10-8-15-9-11-17(25)29-20(15)19)28-22(21)24(5,6)31-18(26)12-13(2)3/h7-11,13,21-22H,12H2,1-6H3/b14-7-",HQKAYCHMYMSSEQ,AUWJEWJLSA,N,3'-(1''-(3-Methylbutanoyl))-angeloyl vaginidiol,HQKAYCHMYMSSEQ-AUWJEWJLSA-N
HMDB40692,308.089602866,C15H16O7,CC1=C(C(=O)OC2C(O)C(O)C=C(CO)C2=O)C(O)=CC=C1,"InChI=1S/C15H16O7/c1-7-3-2-4-9(17)11(7)15(21)22-14-12(19)8(6-16)5-10(18)13(14)20/h2-5,10,13-14,16-18,20H,6H2,1H3",ZJIDZZXKQOJXMR,UHFFFAOYSA,N,"4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)",ZJIDZZXKQOJXMR-UHFFFAOYSA-N
HMDB40693,281.101170605,C12H15N3O5,NC(CCC(=O)NNC1=CC=C(C=C1)C(O)=O)C(O)=O,"InChI=1S/C12H15N3O5/c13-9(12(19)20)5-6-10(16)15-14-8-3-1-7(2-4-8)11(17)18/h1-4,9,14H,5-6,13H2,(H,15,16)(H,17,18)(H,19,20)",GCENCHHONAGMNP,UHFFFAOYSA,N,N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,GCENCHHONAGMNP-UHFFFAOYSA-N
HMDB40694,265.106255983,C12H15N3O4,NC(CCC(=O)NNC1=CC=C(C=O)C=C1)C(O)=O,"InChI=1S/C12H15N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,7,10,14H,5-6,13H2,(H,15,17)(H,18,19)",OLPOUQMVOMXOGV,UHFFFAOYSA,N,Agaritinal,OLPOUQMVOMXOGV-UHFFFAOYSA-N
HMDB40695,899.417753711,C45H57N9O11,CCC(C)C1NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C2CCCN2C(=O)C2CCC(=O)N2)N2C=C(CC(NC1=O)C(O)=O)C1=C2C=CC=C1)C(C)C,"InChI=1S/C45H57N9O11/c1-5-24(4)37-42(61)49-31(45(64)65)20-26-22-54(32-10-7-6-9-28(26)32)38(43(62)51-36(23(2)3)41(60)46-21-35(57)50-37)52-39(58)30(19-25-12-14-27(55)15-13-25)48-40(59)33-11-8-18-53(33)44(63)29-16-17-34(56)47-29/h6-7,9-10,12-15,22-24,29-31,33,36-38,55H,5,8,11,16-21H2,1-4H3,(H,46,60)(H,47,56)(H,48,59)(H,49,61)(H,50,57)(H,51,62)(H,52,58)(H,64,65)",HAUPTKIUBJOOOL,UHFFFAOYSA,N,Lyciumin D,HAUPTKIUBJOOOL-UHFFFAOYSA-N
HMDB40696,963.412668333,C49H57N9O12,CC(C)C1NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C2CCCN2C(=O)C2CCC(=O)N2)N2C=C(CC(NC(=O)C(CO)NC(=O)C(CC3=CC=CC=C3)NC1=O)C(O)=O)C1=C2C=CC=C1,"InChI=1S/C49H57N9O12/c1-26(2)40-46(66)52-33(21-27-9-4-3-5-10-27)42(62)54-36(25-59)44(64)53-35(49(69)70)23-29-24-58(37-12-7-6-11-31(29)37)41(47(67)55-40)56-43(63)34(22-28-14-16-30(60)17-15-28)51-45(65)38-13-8-20-57(38)48(68)32-18-19-39(61)50-32/h3-7,9-12,14-17,24,26,32-36,38,40-41,59-60H,8,13,18-23,25H2,1-2H3,(H,50,61)(H,51,65)(H,52,66)(H,53,64)(H,54,62)(H,55,67)(H,56,63)(H,69,70)",JJVYOOBAXDVVNT,UHFFFAOYSA,N,Lyciumin C,JJVYOOBAXDVVNT-UHFFFAOYSA-N
HMDB40697,314.175618639,C19H24NO3,COC1=C(O)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1,"InChI=1S/C19H23NO3/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16H,10-12H2,1-3H3,(H-,21,22)/p+1",POJZOQWVMMYVBU,UHFFFAOYSA,O,Oblongine,POJZOQWVMMYVBU-UHFFFAOYSA-O
HMDB40698,363.219829177,C24H29NO2,COC1=CC2=C(C=C1C)C1=C(N2)C(C\C=C(/C)CCC=C(C)C)=C(O)C=C1,"InChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-22(26)12-11-18-20-13-17(4)23(27-5)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3/b16-9+",RTEIBQDXHHQYRJ,CXUHLZMHSA,N,Murrayanol,RTEIBQDXHHQYRJ-CXUHLZMHSA-N
HMDB40699,287.152143543,C17H21NO3,COC1=C(O)C=CC(\C=C/C=C/C(=O)N2CCCCC2)=C1,"InChI=1S/C17H21NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3/b7-3-,8-4+",IUGIGWWOEYFTDM,KYPMKJFLSA,N,Feruperine,IUGIGWWOEYFTDM-KYPMKJFLSA-N
HMDB40700,289.167793607,C17H23NO3,COC1=CC(\C=C/C=C/C(=O)N2CCCCC2)=CCC1O,"InChI=1S/C17H23NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-9,13,15,19H,2,5-6,10-12H2,1H3/b7-3-,8-4+",PUYWOMGLUNDEFM,KYPMKJFLSA,N,Dihydroferuperine,PUYWOMGLUNDEFM-KYPMKJFLSA-N
HMDB40701,372.214803378,C19H32O7,CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1C(C)CC(=O)CC1(C)C,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,10-11,13-18,20,22-24H,7-9H2,1-4H3/b6-5+",NLPBBNGDXNHAJP,AATRIKPKSA,N,9-Hydroxy-7-megastigmen-3-one glucoside,NLPBBNGDXNHAJP-AATRIKPKSA-N
HMDB40702,378.204238692,C21H30O6,CC1C(CC2C(OC(C)=O)C3=C(C)C(CC13C2(C)C)OC(C)=O)OC(C)=O,"InChI=1S/C21H30O6/c1-10-17(26-13(4)23)9-21-11(2)16(25-12(3)22)8-15(20(21,6)7)19(18(10)21)27-14(5)24/h11,15-17,19H,8-9H2,1-7H3",LCYMMMXHRHJXJB,UHFFFAOYSA,N,Sugetriol triacetate,LCYMMMXHRHJXJB-UHFFFAOYSA-N
HMDB40703,539.190379541,C27H29N3O9,NC(CC1=CC=C(OC2=CC(CC(N)C(O)=O)=CC(=C2O)C2=C(O)C=CC(CC(N)C(O)=O)=C2)C=C1)C(O)=O,"InChI=1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)",YLKSMWKXSSBSNR,UHFFFAOYSA,N,Pulcherosine,YLKSMWKXSSBSNR-UHFFFAOYSA-N
HMDB40704,655.366666882,C30H51N6O10,NC(CCCCC(CCC(N)C(O)=O)C1=C(CCC(N)C(O)=O)C=[N+](CCCCC(N)C(O)=O)C=C1CCC(N)C(O)=O)C(O)=O,"InChI=1S/C30H50N6O10/c31-20(26(37)38)6-2-1-5-17(8-11-22(33)28(41)42)25-18(9-12-23(34)29(43)44)15-36(14-4-3-7-21(32)27(39)40)16-19(25)10-13-24(35)30(45)46/h15-17,20-24H,1-14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1",IQEPQBCFQPLNCF,UHFFFAOYSA,O,Allodesmosine,IQEPQBCFQPLNCF-UHFFFAOYSA-O
HMDB40705,226.120509064,C12H18O4,CCCCCC1=C(O)C(=O)C(OC)=C(C)O1,"InChI=1S/C12H18O4/c1-4-5-6-7-9-10(13)11(14)12(15-3)8(2)16-9/h13H,4-7H2,1-3H3",OHRPDNHRQKOLGN,UHFFFAOYSA,N,Allixin,OHRPDNHRQKOLGN-UHFFFAOYSA-N
HMDB40706,388.173332494,C18H28O9,OCC1OC(OCC\C=C\CC2C(CC(O)=O)CCC2=O)C(O)C(O)C1O,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1+",JFDNMLUPLXZXGV,OWOJBTEDSA,N,7-Epi-12-hydroxyjasmonic acid glucoside,JFDNMLUPLXZXGV-OWOJBTEDSA-N
HMDB40707,380.198759384,C24H28O4,CCC\C=C1/OC(=O)C2=C1CCC1C2C23CCC=CC12C(=O)O\C3=C\CCC,"InChI=1S/C24H28O4/c1-3-5-9-17-15-11-12-16-20(19(15)21(25)27-17)24-14-8-7-13-23(16,24)22(26)28-18(24)10-6-4-2/h7,9-10,13,16,20H,3-6,8,11-12,14H2,1-2H3/b17-9-,18-10+",UHSPLLCHEOVMGH,BUOZRGFLSA,N,Tokinolide A,UHSPLLCHEOVMGH-BUOZRGFLSA-N
HMDB40708,594.449554338,C35H62O7,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28(36)25-27-24-26(2)40-35(27)39/h24,26,28-34,36-38H,3-23,25H2,1-2H3",YVZIPERWMPDEIZ,UHFFFAOYSA,N,Parviflorin,YVZIPERWMPDEIZ-UHFFFAOYSA-N
HMDB40709,280.31300128,C20H40,CCCCCCCCC\C=C\CCCCCCCCC,"InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/b20-19+",LGDBXSABFKXCSX,FMQUCBEESA,N,10-Eicosene,LGDBXSABFKXCSX-FMQUCBEESA-N
HMDB40710,428.401816286,C30H52O,CC(C)CCCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCCC4(C)CO,"InChI=1S/C30H52O/c1-21(2)9-7-10-22(3)23-13-16-28(6)25-12-11-24-26(4,20-31)14-8-15-29(24)19-30(25,29)18-17-27(23,28)5/h21-25,31H,7-20H2,1-6H3",KBRQGRJBDVDSBP,UHFFFAOYSA,N,Cycloartan-29-ol,KBRQGRJBDVDSBP-UHFFFAOYSA-N
HMDB40711,468.323959896,C30H44O4,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)C=CC(=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C30H44O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,11-12,19-21,23,32H,9-10,13-17H2,1-7H3,(H,33,34)",DFSIQVYXMRYQGI,UHFFFAOYSA,N,"16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid",DFSIQVYXMRYQGI-UHFFFAOYSA-N
HMDB40712,236.177630012,C15H24O2,CC12CCC3OC3(C)C\C=C/C(C)(C)CC1O2,"InChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(16-14)6-9-15(4)12(10-13)17-15/h5,7,11-12H,6,8-10H2,1-4H3/b7-5-",UFBUQKAQYQDEOE,ALCCZGGFSA,N,Humulene diepoxide A,UFBUQKAQYQDEOE-ALCCZGGFSA-N
HMDB40713,410.194067936,C21H30O8,CC1C2CC(OC3OC(CO)C(O)C(O)C3O)C(=C)C3CCC(=C)C3C2OC1=O,"InChI=1S/C21H30O8/c1-8-4-5-11-9(2)13(6-12-10(3)20(26)29-19(12)15(8)11)27-21-18(25)17(24)16(23)14(7-22)28-21/h10-19,21-25H,1-2,4-7H2,3H3",RCMFOCNCKTYXQN,UHFFFAOYSA,N,Scorzoside,RCMFOCNCKTYXQN-UHFFFAOYSA-N
HMDB40714,802.086487138,C34H26O23,OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC2COC(=O)C3=CC(=O)C4(O)OC5=C(O)C(O)=CC(=C5C3C4(O)O)C(=O)OC2C1OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)41)28(45)55-27-24(44)32(56-29(46)9-3-14(37)22(42)15(38)4-9)53-17-7-52-30(47)11-6-18(40)34(51)33(49,50)20(11)19-10(31(48)54-25(17)27)5-16(39)23(43)26(19)57-34/h1-6,17,20,24-25,27,32,35-39,41-44,49-51H,7H2",XPOXLICDNPVKBQ,UHFFFAOYSA,N,Vitilagin,XPOXLICDNPVKBQ-UHFFFAOYSA-N
HMDB40715,610.153384912,C27H30O16,OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)C3(O)C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O16/c28-6-13-17(31)20(34)22(36)24(41-13)27(40)9-2-1-3-12(42-26-23(37)21(35)18(32)14(7-29)43-26)16(9)19(33)15-10(27)4-8(25(38)39)5-11(15)30/h1-5,13-14,17-18,20-24,26,28-32,34-37,40H,6-7H2,(H,38,39)",OJZWDOKDQBCANR,UHFFFAOYSA,N,Rheinoside A,OJZWDOKDQBCANR-UHFFFAOYSA-N
HMDB40716,288.07864425,C19H12O3,OC1=CC=C(C=C1)C1=C2C=C(O)C(=O)C3=CC=CC(C=C1)=C23,"InChI=1S/C19H12O3/c20-13-7-4-11(5-8-13)14-9-6-12-2-1-3-15-18(12)16(14)10-17(21)19(15)22/h1-10,20-21H",UQMKPTIDKHEGFW,UHFFFAOYSA,N,Irenolone,UQMKPTIDKHEGFW-UHFFFAOYSA-N
HMDB40717,1690.536393683,C66H100NO49,CO[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@@H]([C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](OC)[C@H](OC(C)=O)[C@@H]8O)[C@H](OC(C)=O)[C@@H]7O)[C@H](OC(C)=O)[C@@H]6O)C([O-])=O)[C@H](OC(C)=O)[C@@H]5O)[C@H](O)[C@@H]4NC(C)=O)[C@H](OC(C)=O)[C@@H]3O)[C@H](OC(C)=O)[C@@H]2O)[C@H](OC(C)=O)[C@@H]1O,"InChI=1S/C66H101NO49/c1-18(75)67-33-34(83)42(26(11-68)102-59(33)110-44-29(14-71)106-63(38(87)51(44)97-21(4)78)113-46-30(15-72)107-64(39(88)53(46)99-23(6)80)111-45-28(13-70)103-60(94-10)35(84)50(45)96-20(3)77)109-61-37(86)52(98-22(5)79)48(32(17-74)105-61)114-66-41(90)55(101-25(8)82)56(57(116-66)58(91)92)115-65-40(89)54(100-24(7)81)47(31(16-73)108-65)112-62-36(85)49(95-19(2)76)43(93-9)27(12-69)104-62/h26-57,59-66,68-74,83-90H,11-17H2,1-10H3,(H,67,75)(H,91,92)/p-1/t26-,27-,28-,29-,30-,31-,32-,33+,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,59-,60+,61-,62-,63-,64-,65-,66+/m1/s1",XOYXESIZZFUVRD,UVSAJTFZSA,M,Acemannan,XOYXESIZZFUVRD-UVSAJTFZSA-M
HMDB40718,162.017306322,C6H10OS2,CC1C2SC(C1C)S2=O,"InChI=1S/C6H10OS2/c1-3-4(2)6-8-5(3)9(6)7/h3-6H,1-2H3",MDLUYFYDCNUJHX,UHFFFAOYSA,N,Zwiebelane B,MDLUYFYDCNUJHX-UHFFFAOYSA-N
HMDB40719,328.094688244,C18H16O6,COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(OC)C=C2OC,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(22-2)9-15(23-3)17(20)18(16)24-13/h4-9,20H,1-3H3",AGCLYKVLFZSTJI,UHFFFAOYSA,N,"8-Hydroxy-4',5,7-trimethoxyflavone",AGCLYKVLFZSTJI-UHFFFAOYSA-N
HMDB40720,314.100167552,C14H18O8,CC(=O)OC1C(O)C(O)C(CO)OC1OC1=CC=C(O)C=C1,"InChI=1S/C14H18O8/c1-7(16)20-13-12(19)11(18)10(6-15)22-14(13)21-9-4-2-8(17)3-5-9/h2-5,10-15,17-19H,6H2,1H3",QLDACILJKOVPDG,UHFFFAOYSA,N,2-O-Acetylarbutin,QLDACILJKOVPDG-UHFFFAOYSA-N
HMDB40721,478.147511674,C23H26O11,COC1=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=CC(CC=C)=C1,"InChI=1S/C23H26O11/c1-3-4-11-5-6-15(16(7-11)31-2)33-23-21(29)20(28)19(27)17(34-23)10-32-22(30)12-8-13(24)18(26)14(25)9-12/h3,5-9,17,19-21,23-29H,1,4,10H2,2H3",MXIGGCCKAQLWPD,UHFFFAOYSA,N,"Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside]",MXIGGCCKAQLWPD-UHFFFAOYSA-N
HMDB40722,388.115817616,C20H20O8,COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(O)C(OC)=C2O1,"InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-17(25-3)19(26-4)16(22)20(27-5)18(15)28-13/h6-9,22H,1-5H3",XGOWVPRWNRKCSL,UHFFFAOYSA,N,"7-Hydroxy-3',4',5,6,8-pentamethoxyflavone",XGOWVPRWNRKCSL-UHFFFAOYSA-N
HMDB40723,518.194067936,C30H30O8,CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=O)C(O)=C1O)C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C,"InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3",QBKSWRVVCFFDOT,UHFFFAOYSA,N,(-)-Gossypol,QBKSWRVVCFFDOT-UHFFFAOYSA-N
HMDB40724,358.10525293,C19H18O7,COC1=C(OC)C(OC)=C2C(=O)C=C(OC2=C1OC)C1=CC=C(O)C=C1,"InChI=1S/C19H18O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-9,20H,1-4H3",IECRXMSGDFIOEY,UHFFFAOYSA,N,"4'-Hydroxy-5,6,7,8-tetramethoxyflavone",IECRXMSGDFIOEY-UHFFFAOYSA-N
HMDB40725,196.146329884,C12H20O2,CC(=O)O[C@H]1[C@@]2(C)CC[C@H](C2)C1(C)C,"InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1",JUWUWIGZUVEFQB,FOGDFJRCSA,N,Fenchyl acetate,JUWUWIGZUVEFQB-FOGDFJRCSA-N
HMDB40726,170.13067982,C10H18O2,CC(C)(O)[C@H]1CC[C@](C)(O1)C=C,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1",BRHDDEIRQPDPMG,PSASIEDQSA,N,(±)-cis-Linalyl oxide,BRHDDEIRQPDPMG-PSASIEDQSA-N
HMDB40727,170.13067982,C10H18O2,CC(C)(O)[C@@H]1CC[C@](C)(O1)C=C,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1",BRHDDEIRQPDPMG,WCBMZHEXSA,N,(±)-trans-Linalyl oxide,BRHDDEIRQPDPMG-WCBMZHEXSA-N
HMDB40728,550.168641046,C26H30O13,OCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O,"InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+",VMMVZVPAYFZNBM,FPYGCLRLSA,N,Neolicuroside,VMMVZVPAYFZNBM-FPYGCLRLSA-N
HMDB40729,402.188982558,C19H30O9,CC(C)=CCCC(C)(OC1OC(COC(=O)CC(O)=O)C(O)C(O)C1O)C=C,"InChI=1S/C19H30O9/c1-5-19(4,8-6-7-11(2)3)28-18-17(25)16(24)15(23)12(27-18)10-26-14(22)9-13(20)21/h5,7,12,15-18,23-25H,1,6,8-10H2,2-4H3,(H,20,21)",CPXNGRILBNEVQL,UHFFFAOYSA,N,D-Linalool 3-(6''-malonylglucoside),CPXNGRILBNEVQL-UHFFFAOYSA-N
HMDB40730,194.094294314,C11H14O3,CCCCOC(=O)C1=CC=CC=C1O,"InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3",YFDUWSBGVPBWKF,UHFFFAOYSA,N,Butyl salicylate,YFDUWSBGVPBWKF-UHFFFAOYSA-N
HMDB40731,190.062994186,C11H10O3,OC(=O)\C=C\C=C\C1=CC=C(O)C=C1,"InChI=1S/C11H10O3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8,12H,(H,13,14)/b3-1+,4-2+",CYYTUYSFBHDJRH,ZPUQHVIOSA,N,Avenalumic acid,CYYTUYSFBHDJRH-ZPUQHVIOSA-N
HMDB40732,128.047344122,C6H8O3,O=C1CCCCC(=O)O1,InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2,JPSKCQCQZUGWNM,UHFFFAOYSA,N,"2,7-Oxepanedione",JPSKCQCQZUGWNM-UHFFFAOYSA-N
HMDB40733,136.0524295,C8H8O2,CC(=O)OC1=CC=CC=C1,"InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3",IPBVNPXQWQGGJP,UHFFFAOYSA,N,Phenyl acetate,IPBVNPXQWQGGJP-UHFFFAOYSA-N
HMDB40734,244.08479226,C13H12N2O3,O=C1C=C2N3CCCOC3CC3=CNC(=C23)C1=O,"InChI=1S/C13H12N2O3/c16-9-5-8-11-7(6-14-12(11)13(9)17)4-10-15(8)2-1-3-18-10/h5-6,10,14H,1-4H2",GTVMGUBGOSWMOJ,UHFFFAOYSA,N,Haematopodin,GTVMGUBGOSWMOJ-UHFFFAOYSA-N
HMDB40735,118.062994186,C5H10O3,CCOC(=O)C(C)O,"InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3",LZCLXQDLBQLTDK,UHFFFAOYSA,N,Ethyl lactate,LZCLXQDLBQLTDK-UHFFFAOYSA-N
HMDB40736,524.422945658,C35H56O3,CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(OC)C2=C1C\C(C)=C/CC\C(C)=C/C2,"InChI=1S/C35H56O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35(36)38-34-27-26-33(37-4)31-25-24-29(2)21-20-22-30(3)28-32(31)34/h22,24,26-27H,5-21,23,25,28H2,1-4H3/b29-24-,30-22-",KEQNDOBNCIQHAL,QFMQDTALSA,N,Flavidulol D,KEQNDOBNCIQHAL-QFMQDTALSA-N
HMDB40737,326.084911418,C11H18O11,OC1COC(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C1O,"InChI=1S/C11H18O11/c12-2-1-20-10(19)8(3(2)13)22-11-6(16)4(14)5(15)7(21-11)9(17)18/h2-8,10-16,19H,1H2,(H,17,18)",KPPOIQPQTVLBFD,UHFFFAOYSA,N,Aldobiouronic acid D3,KPPOIQPQTVLBFD-UHFFFAOYSA-N
HMDB40742,310.15689457,C20H22O3,CC(C)C1=C(O)C(=O)C2=C(C=CC(C)=C2C\C=C/C(C)=C)C1=O,"InChI=1S/C20H22O3/c1-11(2)7-6-8-14-13(5)9-10-15-17(14)20(23)19(22)16(12(3)4)18(15)21/h6-7,9-10,12,22H,1,8H2,2-5H3/b7-6-",DRAMPMNRCNQDOE,SREVYHEPSA,N,"2,3-Dehydrosalvipisone",DRAMPMNRCNQDOE-SREVYHEPSA-N
HMDB40743,566.412380972,C40H54O2,C\C(\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)C(C)(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H54O2/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38(41)40(9,10)42)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26-29,42H,16,25,30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,29-27+,31-17+,32-18+,33-21+,34-23+,35-24+",XSEQEJQPEDASKY,RCMIEKQSSA,N,2'-Dehydroplectaniaxanthin,XSEQEJQPEDASKY-RCMIEKQSSA-N
HMDB40744,738.41904207,C39H62O13,CC(C1CCC2C3=CC(=O)C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CCC(C)C(OC2OC(C)C(O)C(O)C2O)O1,"InChI=1S/C39H62O13/c1-17-6-9-27(50-35(17)52-36-33(46)31(44)29(42)19(3)48-36)18(2)22-7-8-23-21-15-26(41)25-14-20(10-12-39(25,5)24(21)11-13-38(22,23)4)49-37-34(47)32(45)30(43)28(16-40)51-37/h15,17-20,22-25,27-37,40,42-47H,6-14,16H2,1-5H3",DMRIOWKDQLGGAP,UHFFFAOYSA,N,Polypodoside B,DMRIOWKDQLGGAP-UHFFFAOYSA-N
HMDB40745,752.434692134,C40H64O13,COC1C(O)C(C)OC(OC2OC(CCC2C)C(C)C2CCC3C4=CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)C1O,"InChI=1S/C40H64O13/c1-18-7-10-28(51-36(18)53-38-34(47)35(48-6)30(43)20(3)49-38)19(2)23-8-9-24-22-16-27(42)26-15-21(11-13-40(26,5)25(22)12-14-39(23,24)4)50-37-33(46)32(45)31(44)29(17-41)52-37/h16,18-21,23-26,28-38,41,43-47H,7-15,17H2,1-6H3",NDAYDFGEXFEFMC,UHFFFAOYSA,N,Polypodoside C,NDAYDFGEXFEFMC-UHFFFAOYSA-N
HMDB40746,314.188194698,C20H26O3,CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C=O)C1CC2=O,"InChI=1S/C20H26O3/c1-12(2)13-8-14-15(9-16(13)22)20(4)7-5-6-19(3,11-21)18(20)10-17(14)23/h8-9,11-12,18,22H,5-7,10H2,1-4H3",WWTJTTLCNJCBCJ,UHFFFAOYSA,N,"12-Hydroxy-7-oxo-8,11,13-abietatrien-18-al",WWTJTTLCNJCBCJ-UHFFFAOYSA-N
HMDB40747,424.224974134,C26H32O5,COC1=C(O)C(C=O)=C2C(=O)C3CC(CCC=C(C)C)=CCC3(C)C(=O)C2=C1C(C)C,"InChI=1S/C26H32O5/c1-14(2)8-7-9-16-10-11-26(5)18(12-16)23(29)20-17(13-27)22(28)24(31-6)19(15(3)4)21(20)25(26)30/h8,10,13,15,18,28H,7,9,11-12H2,1-6H3",FGQZFAWOAMMXKN,UHFFFAOYSA,N,Heliocide B2,FGQZFAWOAMMXKN-UHFFFAOYSA-N
HMDB40748,440.292659768,C28H40O4,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC1=C(O)C=CC(O)=C1OC(C)=O,"InChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-26(30)18-19-27(31)28(25)32-24(6)29/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16-",VLLSMOKWYCNDEY,DCVNSYBLSA,N,"2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene",VLLSMOKWYCNDEY-DCVNSYBLSA-N
HMDB40749,412.297745146,C27H40O3,COC1=C(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=C(O)C=C1,"InChI=1S/C27H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-24-26(30-6)19-18-25(28)27(24)29/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16-",JGFQHGDOQGIOND,DCVNSYBLSA,N,"4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene",JGFQHGDOQGIOND-DCVNSYBLSA-N
HMDB40750,1202.572033052,C58H90O26,C\C=C(/C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(O)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C=O)C4CCC3(C)C1(C)CC2O,"InChI=1S/C58H90O26/c1-9-24(2)48(75)77-23-58-26(16-53(3,4)17-32(58)63)25-10-11-31-54(5)14-13-34(55(6,22-61)30(54)12-15-56(31,7)57(25,8)18-33(58)64)80-52-46(84-50-41(71)39(69)37(67)29(20-60)79-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(62)21-76-51)83-49-40(70)38(68)36(66)28(19-59)78-49/h9-10,22,26-46,49-52,59-60,62-72H,11-21,23H2,1-8H3,(H,73,74)/b24-9+",YJHRQOHLZPTSKZ,PGGKNCGUSA,N,Camelliasaponin B1,YJHRQOHLZPTSKZ-PGGKNCGUSA-N
HMDB40751,1202.572033052,C58H90O26,C\C=C(/C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO,"InChI=1S/C58H90O26/c1-9-24(2)48(75)79-34-18-53(3,4)16-26-25-10-11-31-54(5)14-13-33(55(6,22-61)30(54)12-15-56(31,7)57(25,8)17-32(64)58(26,34)23-62)80-52-46(84-50-41(71)39(69)37(67)29(20-60)78-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(63)21-76-51)83-49-40(70)38(68)36(66)28(19-59)77-49/h9-10,22,26-46,49-52,59-60,62-72H,11-21,23H2,1-8H3,(H,73,74)/b24-9+",MGTOPLIWMNGFCQ,PGGKNCGUSA,N,Camelliasaponin B2,MGTOPLIWMNGFCQ-PGGKNCGUSA-N
HMDB40752,1204.587683116,C58H92O26,C\C=C(/C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO,"InChI=1S/C58H92O26/c1-9-24(2)48(75)79-34-18-53(3,4)16-26-25-10-11-31-54(5)14-13-33(55(6,22-61)30(54)12-15-56(31,7)57(25,8)17-32(64)58(26,34)23-62)80-52-46(84-50-41(71)39(69)37(67)29(20-60)78-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(63)21-76-51)83-49-40(70)38(68)36(66)28(19-59)77-49/h9-10,26-46,49-52,59-72H,11-23H2,1-8H3,(H,73,74)/b24-9+",KRGSIOSNSSCAMH,PGGKNCGUSA,N,Camelliasaponin C1,KRGSIOSNSSCAMH-PGGKNCGUSA-N
HMDB40753,444.396730908,C30H52O2,CC(C)CCCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)CO,"InChI=1S/C30H52O2/c1-20(2)8-7-9-21(3)22-12-14-28(6)24-11-10-23-26(4,19-31)25(32)13-15-29(23)18-30(24,29)17-16-27(22,28)5/h20-25,31-32H,7-19H2,1-6H3",HWVWXEOIUCFPQJ,UHFFFAOYSA,N,"3beta-Cycloartane-3,29-diol",HWVWXEOIUCFPQJ-UHFFFAOYSA-N
HMDB40754,250.15689457,C15H22O3,CC1C(O)CCC2CC3OC(=O)C(C)=C3CC12C,"InChI=1S/C15H22O3/c1-8-11-7-15(3)9(2)12(16)5-4-10(15)6-13(11)18-14(8)17/h9-10,12-13,16H,4-7H2,1-3H3",CIYRSZQQVYGESH,UHFFFAOYSA,N,"(3beta,8beta)-3-Hydroxy-7(11)-eremophilen-12,8-olide",CIYRSZQQVYGESH-UHFFFAOYSA-N
HMDB40755,280.167459256,C16H24O4,COC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C,"InChI=1S/C16H24O4/c1-8-13-12(20-15(8)18)7-10-5-6-11(17)9(2)16(10,3)14(13)19-4/h9-12,14,17H,5-7H2,1-4H3",OBOOZVIHEDVWHF,UHFFFAOYSA,N,"3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide",OBOOZVIHEDVWHF-UHFFFAOYSA-N
HMDB40756,310.178023942,C17H26O5,COC1C2=C(C)C(=O)OC2(CC2CCC(O)C(C)C12C)OC,"InChI=1S/C17H26O5/c1-9-13-14(20-4)16(3)10(2)12(18)7-6-11(16)8-17(13,21-5)22-15(9)19/h10-12,14,18H,6-8H2,1-5H3",JCGMJARSAZGXHM,UHFFFAOYSA,N,"3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide",JCGMJARSAZGXHM-UHFFFAOYSA-N
HMDB40757,364.188588628,C20H28O6,C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C12C,"InChI=1S/C20H28O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-14,16,21,24H,7-9H2,1-5H3/b10-6+",YOQIGAVHLYFIAF,UXBLZVDNSA,N,"3b,8a-Dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8-olide",YOQIGAVHLYFIAF-UXBLZVDNSA-N
HMDB40758,364.188588628,C20H28O6,C\C=C(\C)C(=O)OC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C12C,"InChI=1S/C20H28O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-14,16,21,24H,7-9H2,1-5H3/b10-6-",YOQIGAVHLYFIAF,POHAHGRESA,N,"3b,8b-Dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8-olide",YOQIGAVHLYFIAF-POHAHGRESA-N
HMDB40759,362.172938564,C20H26O6,C\C=C(\C)C(=O)OC1C2=C(C)C(=O)OC2(O)CC2CCC(=O)C(C)C12C,"InChI=1S/C20H26O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-13,16,24H,7-9H2,1-5H3/b10-6-",WKMBTXJFBQEZHO,POHAHGRESA,N,"3-Oxo-6b-angeloyloxy-8b-hydroxy-7(11)-eremophilen-12,8-olide",WKMBTXJFBQEZHO-POHAHGRESA-N
HMDB40760,328.167459256,C20H24O4,CC(C)C1=C(O)C=C(C)C(=C1)C1=C(C)C(=O)C(O)=C(C(C)C)C1=O,"InChI=1S/C20H24O4/c1-9(2)13-8-14(11(5)7-15(13)21)17-12(6)18(22)20(24)16(10(3)4)19(17)23/h7-10,21,24H,1-6H3",LCYBFRVRIDYNSS,UHFFFAOYSA,N,"4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione",LCYBFRVRIDYNSS-UHFFFAOYSA-N
HMDB40761,312.172544634,C20H24O3,CC(C)C1=CC(=C(C)C(=O)C1=O)C1=CC(C(C)C)=C(O)C=C1C,"InChI=1S/C20H24O3/c1-10(2)14-8-16(12(5)7-18(14)21)17-9-15(11(3)4)20(23)19(22)13(17)6/h7-11,21H,1-6H3",SFQOHOOISXSOPJ,UHFFFAOYSA,N,"4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone",SFQOHOOISXSOPJ-UHFFFAOYSA-N
HMDB40762,326.151809192,C20H22O4,CC(C)C1=CC(=C(C)C(=O)C1=O)C1=C(C)C(=O)C(=O)C(=C1)C(C)C,"InChI=1S/C20H22O4/c1-9(2)13-7-15(11(5)17(21)19(13)23)16-8-14(10(3)4)20(24)18(22)12(16)6/h7-10H,1-6H3",OTCZINUTVRBSEL,UHFFFAOYSA,N,"5,5-Diisopropyl-2,2'-dimethylbiphenyl-3,3',4,4'-tetrone",OTCZINUTVRBSEL-UHFFFAOYSA-N
HMDB40763,220.18271539,C15H24O,CC1CCC2C(C)(C)OC3C=C(C)CCC123,"InChI=1S/C15H24O/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)16-13(15)9-10/h9,11-13H,5-8H2,1-4H3",JGKMDLIITSKWAD,UHFFFAOYSA,N,Italicene ether,JGKMDLIITSKWAD-UHFFFAOYSA-N
HMDB40764,440.292659768,C28H40O4,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(O)=CC(O)=C1OC(C)=O,"InChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-18-26(30)19-27(31)28(25)32-24(6)29/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+",MZWQVUHXBWQZLY,MLAGYPMBSA,N,Bolegrevilol,MZWQVUHXBWQZLY-MLAGYPMBSA-N
HMDB40765,412.297745146,C27H40O3,COC1=C(O)C=C(O)C=C1C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C27H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-24-18-25(28)19-26(29)27(24)30-6/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+",IYYFMQHGUZBMKD,MLAGYPMBSA,N,"4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol",IYYFMQHGUZBMKD-MLAGYPMBSA-N
HMDB40766,152.120115134,C10H16O,CC1OCC2C=C(C)CCC12,"InChI=1S/C10H16O/c1-7-3-4-10-8(2)11-6-9(10)5-7/h5,8-10H,3-4,6H2,1-2H3",DBDSRLQPJKTGQF,UHFFFAOYSA,N,Anethofuran,DBDSRLQPJKTGQF-UHFFFAOYSA-N
HMDB40767,613.231181723,C35H35NO9,COC1=C(OC)C2=C(C=C1)C(=O)C1=C(N2)C(C2CC(C)(C)OC3=C2C(O)=C2C=CC(=O)OC2=C3C(C)(C)C=C)=C(OC)C=C1O,"InChI=1S/C35H35NO9/c1-9-34(2,3)26-31-17(11-13-22(38)44-31)30(40)24-18(15-35(4,5)45-33(24)26)23-21(42-7)14-19(37)25-28(23)36-27-16(29(25)39)10-12-20(41-6)32(27)43-8/h9-14,18,37,40H,1,15H2,2-8H3,(H,36,39)",XFTQVQSYVLDGDM,UHFFFAOYSA,N,Neoacrimarine E,XFTQVQSYVLDGDM-UHFFFAOYSA-N
HMDB40768,188.071153569,C11H10NO2,OC1=CC(=C(O)C=C1)[N+]1=CC=CC=C1,"InChI=1S/C11H9NO2/c13-9-4-5-11(14)10(8-9)12-6-2-1-3-7-12/h1-8H,(H-,13,14)/p+1",BYQQTWROSPBRIU,UHFFFAOYSA,O,"N-(2,5-Dihydroxyphenyl)pyridinium(1+)",BYQQTWROSPBRIU-UHFFFAOYSA-O
HMDB40769,513.142366717,C29H23NO8,COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C2=C(OC(C)(CO2)\C=C\C2=C(O)C=CC3=C2OC(=O)C=C3)C=C1,"InChI=1S/C29H23NO8/c1-29(11-10-17-20(31)7-4-15-5-9-23(33)37-27(15)17)14-36-28-22(38-29)8-6-18-25(28)30(2)19-12-16(35-3)13-21(32)24(19)26(18)34/h4-13,31-32H,14H2,1-3H3/b11-10+",AEXHLHGCDOTWGS,ZHACJKMWSA,N,Dioxinoacrimarine A,AEXHLHGCDOTWGS-ZHACJKMWSA-N
HMDB40770,428.401816286,C30H52O,CC(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12,"InChI=1S/C30H52O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-25,31H,9-18H2,1-8H3",UBLNLUPLUKPSPP,UHFFFAOYSA,N,3beta-3-Lupanol,UBLNLUPLUKPSPP-UHFFFAOYSA-N
HMDB40771,792.39322125,C41H60O15,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C41H60O15/c1-35(2)14-16-40(32(47)48)17-15-38(6)20(21(40)18-35)8-9-23-37(5)12-11-24(36(3,4)22(37)10-13-39(23,38)7)53-31-26(44)27-28(29(54-31)30(45)46)56-41(51,33(49)50)34(55-27)52-19-25(42)43/h8,21-24,26-29,31,34,44,51H,9-19H2,1-7H3,(H,42,43)(H,45,46)(H,47,48)(H,49,50)",JZICHZJWNUYONS,UHFFFAOYSA,N,Betavulgaroside II,JZICHZJWNUYONS-UHFFFAOYSA-N
HMDB40772,504.345089268,C30H48O6,CC1CCC2(CCC3(C)C(=CCC4C3(C)CC(O)C3(O)C(C)(CO)C(O)CCC43C)C2C1C)C(O)=O,"InChI=1S/C30H48O6/c1-17-9-12-29(24(34)35)14-13-25(3)19(23(29)18(17)2)7-8-20-26(4)11-10-21(32)28(6,16-31)30(26,36)22(33)15-27(20,25)5/h7,17-18,20-23,31-33,36H,8-16H2,1-6H3,(H,34,35)",BMPKVVLYKVNDQD,UHFFFAOYSA,N,Isothankunic acid,BMPKVVLYKVNDQD-UHFFFAOYSA-N
HMDB40773,692.361408034,C46H48N2O4,CC(C)=CCCC1(C)OC2=C(C)C=C3C(NC4=CC(O)=C(C=C34)C3=C(O)C=CC4=C3NC3=C5C=CC(C)(CCC=C(C)C)OC5=C(C)C=C43)=C2C=C1,"InChI=1S/C46H48N2O4/c1-25(2)11-9-17-45(7)19-15-30-40-34(22-28(6)43(30)51-45)32-23-35(38(50)24-36(32)47-40)39-37(49)14-13-29-33-21-27(5)44-31(41(33)48-42(29)39)16-20-46(8,52-44)18-10-12-26(3)4/h11-16,19-24,47-50H,9-10,17-18H2,1-8H3",DUWZYYIUQUHQBX,UHFFFAOYSA,N,Bismahanine,DUWZYYIUQUHQBX-UHFFFAOYSA-N
HMDB40774,420.11100701,C26H16N2O4,CC1=C(C(=O)C2=C(C3=CC=CC=C3N2)C1=O)C1=C(C)C(=O)C2=C(NC3=CC=CC=C23)C1=O,"InChI=1S/C26H16N2O4/c1-11-17(25(31)21-19(23(11)29)13-7-3-5-9-15(13)27-21)18-12(2)24(30)20-14-8-4-6-10-16(14)28-22(20)26(18)32/h3-10,27-28H,1-2H3",FKJFKIPTKQPIFB,UHFFFAOYSA,N,Bismurrayaquinone A,FKJFKIPTKQPIFB-UHFFFAOYSA-N
HMDB40775,365.199093735,C23H27NO3,COC(CNC(=O)\C=C/C1=CC=CC=C1)C1=CC=C(OCC=C(C)C)C=C1,"InChI=1S/C23H27NO3/c1-18(2)15-16-27-21-12-10-20(11-13-21)22(26-3)17-24-23(25)14-9-19-7-5-4-6-8-19/h4-15,22H,16-17H2,1-3H3,(H,24,25)/b14-9-",MLCNANOYWKNAAF,ZROIWOOFSA,N,Aegle marmelos Alkaloid C,MLCNANOYWKNAAF-ZROIWOOFSA-N
HMDB40776,392.152477894,C26H20N2O2,CC1=CC2=C(NC3=CC=CC=C23)C(=C1O)C1=C(O)C(C)=CC2=C1NC1=CC=CC=C21,"InChI=1S/C26H20N2O2/c1-13-11-17-15-7-3-5-9-19(15)27-23(17)21(25(13)29)22-24-18(12-14(2)26(22)30)16-8-4-6-10-20(16)28-24/h3-12,27-30H,1-2H3",BZVSIHKEOLSGNL,UHFFFAOYSA,N,"1,1'-Bis(2-hydroxy-3-methylcarbazole)",BZVSIHKEOLSGNL-UHFFFAOYSA-N
HMDB40777,426.386166222,C30H50O,CC(C)=CCCC1(C)CCC2(C)C(C1)=CCC1C3(C)CCC(O)C(C)(C)C3CCC21C,"InChI=1S/C30H50O/c1-21(2)10-9-15-27(5)18-19-29(7)22(20-27)11-12-24-28(6)16-14-25(31)26(3,4)23(28)13-17-30(24,29)8/h10-11,23-25,31H,9,12-20H2,1-8H3",PLCSXUZKJJNYDO,UHFFFAOYSA,N,"3beta-12,21-Baccharadien-3-ol",PLCSXUZKJJNYDO-UHFFFAOYSA-N
HMDB40778,236.141244506,C14H20O3,CC1C(O)CCC2CC(=O)C(=CC12C)C(C)=O,"InChI=1S/C14H20O3/c1-8-12(16)5-4-10-6-13(17)11(9(2)15)7-14(8,10)3/h7-8,10,12,16H,4-6H2,1-3H3",ZKOZDFWTXYIUDZ,UHFFFAOYSA,N,Eremopetasidione,ZKOZDFWTXYIUDZ-UHFFFAOYSA-N
HMDB40779,802.47147157,C41H70O15,CC(O)(CO)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C41H70O15/c1-36(2)25(46)9-11-37(3)24-14-20(44)27-19(41(7)13-10-26(56-41)40(6,51)18-43)8-12-38(27,4)39(24,5)15-22(33(36)37)53-35-32(30(49)29(48)23(16-42)54-35)55-34-31(50)28(47)21(45)17-52-34/h19-35,42-51H,8-18H2,1-7H3",OIKCVRSUBPKDNH,UHFFFAOYSA,N,Vinaginsenoside R14,OIKCVRSUBPKDNH-UHFFFAOYSA-N
HMDB40780,802.47147157,C41H70O15,CC(O)(CO)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C41H70O15/c1-36(2)25(46)9-11-37(3)24-14-20(44)27-19(41(7)13-10-26(56-41)40(6,51)18-43)8-12-38(27,4)39(24,5)15-22(33(36)37)53-35-32(30(49)29(48)23(16-42)54-35)55-34-31(50)28(47)21(45)17-52-34/h19-35,42-51H,8-18H2,1-7H3",OIKCVRSUBPKDNH,UHFFFAOYSA,N,Vinaginsenoside R10,OIKCVRSUBPKDNH-UHFFFAOYSA-N
HMDB40781,786.476556948,C41H70O14,CC12CCC(C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O)C1(C)CCC(O)C(C)(C)O1,"InChI=1S/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(46)37(3,4)55-41)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(49)29(48)23(17-42)53-35)54-34-31(50)28(47)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3",WCBZNUPCGKYBTN,UHFFFAOYSA,N,Vinaginsenoside R11,WCBZNUPCGKYBTN-UHFFFAOYSA-N
HMDB40782,672.44486289,C36H64O11,CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H64O11/c1-31(2)23(39)10-12-33(5)22-15-19(38)25-18(36(8,45)14-11-24(40)32(3,4)44)9-13-34(25,6)35(22,7)16-20(29(31)33)46-30-28(43)27(42)26(41)21(17-37)47-30/h18-30,37-45H,9-17H2,1-8H3",NUGXFAXZOUMRFJ,UHFFFAOYSA,N,Vinaginsenoside R12,NUGXFAXZOUMRFJ-UHFFFAOYSA-N
HMDB40783,980.555595128,C48H84O20,CC(C)(O)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C48H84O20/c1-43(2)26-10-15-46(6)27(45(26,5)13-12-29(43)66-42-39(36(59)33(56)25(20-51)65-42)67-40-37(60)34(57)31(54)23(18-49)63-40)17-22(52)30-21(9-14-47(30,46)7)48(8,16-11-28(53)44(3,4)62)68-41-38(61)35(58)32(55)24(19-50)64-41/h21-42,49-62H,9-20H2,1-8H3",IXHBKLVSPJTPAA,UHFFFAOYSA,N,Vinaginsenoside R13,IXHBKLVSPJTPAA-UHFFFAOYSA-N
HMDB40784,504.345089268,C30H48O6,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(CO)(CO)C5CCC34C)C2C1O)C(O)=O,"InChI=1S/C30H48O6/c1-25(2)12-14-29(24(35)36)15-13-27(4)18(22(29)23(25)34)6-7-19-26(3)10-9-21(33)30(16-31,17-32)20(26)8-11-28(19,27)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)",SWKIMTSJFCDAEL,UHFFFAOYSA,N,"(3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid",SWKIMTSJFCDAEL-UHFFFAOYSA-N
HMDB40785,265.146664235,C18H19NO,CC(C)=CCC1=C2NC3=CC=CC=C3C2=CC(C)=C1O,"InChI=1S/C18H19NO/c1-11(2)8-9-14-17-15(10-12(3)18(14)20)13-6-4-5-7-16(13)19-17/h4-8,10,19-20H,9H2,1-3H3",PURITTXNCHNYEP,UHFFFAOYSA,N,Mukoenine A,PURITTXNCHNYEP-UHFFFAOYSA-N
HMDB40786,362.126657074,C21H18N2O4,CN1C(=O)C(CC2=C(O)C3=CC=CC=C3N(C)C2=O)=C(O)C2=CC=CC=C12,"InChI=1S/C21H18N2O4/c1-22-16-9-5-3-7-12(16)18(24)14(20(22)26)11-15-19(25)13-8-4-6-10-17(13)23(2)21(15)27/h3-10,24-25H,11H2,1-2H3",JCLGYGPWVWEPSU,UHFFFAOYSA,N,Zanthobisquinolone,JCLGYGPWVWEPSU-UHFFFAOYSA-N
HMDB40787,420.183778022,C28H24N2O2,COC1=CC(C)=CC2=C1N(C1=CC=CC=C21)C1=C2C(NC3=CC=CC=C23)=C(OC)C=C1C,"InChI=1S/C28H24N2O2/c1-16-13-20-18-9-6-8-12-22(18)30(28(20)24(14-16)32-4)27-17(2)15-23(31-3)26-25(27)19-10-5-7-11-21(19)29-26/h5-15,29H,1-4H3",OBQIZMYFDVTSTF,UHFFFAOYSA,N,Murrastifoline F,OBQIZMYFDVTSTF-UHFFFAOYSA-N
HMDB40788,347.188529049,C23H25NO2,CC(C)=CCC\C(C)=C/CC1=C2NC3=CC=CC=C3C2=CC(C=O)=C1O,"InChI=1S/C23H25NO2/c1-15(2)7-6-8-16(3)11-12-19-22-20(13-17(14-25)23(19)26)18-9-4-5-10-21(18)24-22/h4-5,7,9-11,13-14,24,26H,6,8,12H2,1-3H3/b16-11-",HYKYGURKMDNXGG,WJDWOHSUSA,N,Mukoenine B,HYKYGURKMDNXGG-WJDWOHSUSA-N
HMDB40789,420.147392516,C27H20N2O3,COC1=C2NC3=CC=CC=C3C2=C(C(C)=C1)C1=C(C)C(=O)C2=C(NC3=CC=CC=C23)C1=O,"InChI=1S/C27H20N2O3/c1-13-12-19(32-3)24-22(15-8-4-6-10-17(15)28-24)20(13)21-14(2)26(30)23-16-9-5-7-11-18(16)29-25(23)27(21)31/h4-12,28-29H,1-3H3",WNIJCVSAQYOBMV,UHFFFAOYSA,N,Bikoeniquinone A,WNIJCVSAQYOBMV-UHFFFAOYSA-N
HMDB40790,266.05475446,C12H14N2OS2,COC1=CC=CC2=C1C(CNC(=S)SC)=CN2,"InChI=1S/C12H14N2OS2/c1-15-10-5-3-4-9-11(10)8(6-13-9)7-14-12(16)17-2/h3-6,13H,7H2,1-2H3,(H,14,16)",JVKOHVNWMQYCIN,UHFFFAOYSA,N,4-Methoxybrassinin,JVKOHVNWMQYCIN-UHFFFAOYSA-N
HMDB40791,557.204966973,C32H31NO8,COC1=C(OC)C2=C(C=C1)C(=O)C1=C(O)C(C(C=C(C)C)C3=C(OC)C=C4OC(=O)C=CC4=C3)=C(OC)C=C1N2C,"InChI=1S/C32H31NO8/c1-16(2)12-20(19-13-17-8-11-26(34)41-23(17)15-24(19)38-5)27-25(39-6)14-21-28(31(27)36)30(35)18-9-10-22(37-4)32(40-7)29(18)33(21)3/h8-15,20,36H,1-7H3",DRQKNTLMXYUGTO,UHFFFAOYSA,N,Acrimarine N,DRQKNTLMXYUGTO-UHFFFAOYSA-N
HMDB40792,427.235873171,C25H33NO5,C\C(=C/COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1)C(O)CC(O)C(C)(C)O,"InChI=1S/C25H33NO5/c1-18(22(27)17-23(28)25(2,3)30)14-16-31-21-11-9-19(10-12-21)13-15-26-24(29)20-7-5-4-6-8-20/h4-12,14,22-23,27-28,30H,13,15-17H2,1-3H3,(H,26,29)/b18-14+",GDCAKUNBXRNADM,NBVRZTHBSA,N,Dihydroxyacidissiminol,GDCAKUNBXRNADM-NBVRZTHBSA-N
HMDB40793,409.225308485,C25H31NO4,C\C(=C/COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1)C(O)CC1OC1(C)C,"InChI=1S/C25H31NO4/c1-18(22(27)17-23-25(2,3)30-23)14-16-29-21-11-9-19(10-12-21)13-15-26-24(28)20-7-5-4-6-8-20/h4-12,14,22-23,27H,13,15-17H2,1-3H3,(H,26,28)/b18-14+",QQKKFVXSQXUHPI,NBVRZTHBSA,N,Acidissiminol epoxide,QQKKFVXSQXUHPI-NBVRZTHBSA-N
HMDB40794,282.064056818,C15H10N2O4,COC1=C(O)C(=O)N2C3=CC=CC=C3C3=C2C1=N(=O)C=C3,"InChI=1S/C15H10N2O4/c1-21-14-12-11-9(6-7-16(12)20)8-4-2-3-5-10(8)17(11)15(19)13(14)18/h2-7,18H,1H3",BACBQAVGXGDIMD,UHFFFAOYSA,N,5-Hydroxy-4-methoxy-6-canthinone 3-N-oxide,BACBQAVGXGDIMD-UHFFFAOYSA-N
HMDB40795,346.178023942,C20H26O5,COC(C)(C)C(O)CC\C(C)=C\COC1=CC=C2C=CC(=O)OC2=C1,"InChI=1S/C20H26O5/c1-14(5-9-18(21)20(2,3)23-4)11-12-24-16-8-6-15-7-10-19(22)25-17(15)13-16/h6-8,10-11,13,18,21H,5,9,12H2,1-4H3/b14-11+",HODOWBFKRLQCBH,SDNWHVSQSA,N,7'-O-Methylmarmin,HODOWBFKRLQCBH-SDNWHVSQSA-N
HMDB40796,360.1572885,C20H24O6,C\C(CCC(OC=O)C(C)(C)O)=C/COC1=CC=C2C=CC(=O)OC2=C1,"InChI=1S/C20H24O6/c1-14(4-8-18(25-13-21)20(2,3)23)10-11-24-16-7-5-15-6-9-19(22)26-17(15)12-16/h5-7,9-10,12-13,18,23H,4,8,11H2,1-3H3/b14-10+",DDOGXGOJGIHGOH,GXDHUFHOSA,N,6'-O-Formylmarmin,DDOGXGOJGIHGOH-GXDHUFHOSA-N
HMDB40797,354.13146768,C17H22O8,COC(=O)CCC#CC#C\C=C/COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C17H22O8/c1-23-13(19)9-7-5-3-2-4-6-8-10-24-17-16(22)15(21)14(20)12(11-18)25-17/h6,8,12,14-18,20-22H,7,9-11H2,1H3/b8-6-",KMCLOJYUKASTFN,VURMDHGXSA,N,Methyl helianthenoate F glucoside,KMCLOJYUKASTFN-VURMDHGXSA-N
HMDB40798,296.079706882,C16H12N2O4,COC1=C(O)C(=O)N2C3=CC=CC=C3C3=CC(=O)N(C)C1=C23,"InChI=1S/C16H12N2O4/c1-17-11(19)7-9-8-5-3-4-6-10(8)18-12(9)13(17)15(22-2)14(20)16(18)21/h3-7,20H,1-2H3",CQFOPDQAOBCODL,UHFFFAOYSA,N,"5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione",CQFOPDQAOBCODL-UHFFFAOYSA-N
HMDB40799,340.178692644,C20H24N2O3,CCC1C2N3CCC22C(NC4=C2C=CC(O)=C4)=C(C1CC3)C(=O)OC,"InChI=1S/C20H24N2O3/c1-3-12-13-6-8-22-9-7-20(18(12)22)14-5-4-11(23)10-15(14)21-17(20)16(13)19(24)25-2/h4-5,10,12-13,18,21,23H,3,6-9H2,1-2H3",ILEBWSZOKJHVSX,UHFFFAOYSA,N,11-Hydroxytubotaiwine,ILEBWSZOKJHVSX-UHFFFAOYSA-N
HMDB40800,178.099379692,C11H14O2,CCOC1=C(O)C=C(\C=C\C)C=C1,"InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+",RADIRXJQODWKGQ,HWKANZROSA,N,2-Ethoxy-5-(1-propenyl)phenol,RADIRXJQODWKGQ-HWKANZROSA-N
HMDB40801,948.253552464,C43H48O24,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=C1,"InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)48)3-9-27(50)65-39-34(56)30(52)25(14-45)63-42(39)67-40-35(57)31(53)26(15-46)64-43(40)66-38-32(54)28-21(49)11-19(60-41-36(58)33(55)29(51)24(13-44)62-41)12-23(28)61-37(38)17-4-6-18(47)7-5-17/h2-12,24-26,29-31,33-36,39-49,51-53,55-58H,13-15H2,1H3/b9-3+",QHJVKUDIQWLPMG,YCRREMRBSA,N,Kaempferol 3-(2-feruloylsophoroside) 7-glucoside,QHJVKUDIQWLPMG-YCRREMRBSA-N
HMDB40802,918.242987778,C42H46O23,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C42H46O23/c43-13-23-28(50)32(54)35(57)40(60-23)58-20-11-21(48)27-22(12-20)59-36(17-4-8-19(47)9-5-17)37(31(27)53)64-42-39(34(56)30(52)25(15-45)62-42)65-41-38(33(55)29(51)24(14-44)61-41)63-26(49)10-3-16-1-6-18(46)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+",CSGSYHAZGDVQGA,XCVCLJGOSA,N,Kaempferol 3-(2-p-coumaroylsophoroside) 7-glucoside,CSGSYHAZGDVQGA-XCVCLJGOSA-N
HMDB40803,446.121296924,C22H22O10,COC1=CC=C(C=C1)C1=C(OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C22H22O10/c1-9-16(25)18(27)19(28)22(30-9)32-21-17(26)15-13(24)7-11(23)8-14(15)31-20(21)10-3-5-12(29-2)6-4-10/h3-9,16,18-19,22-25,27-28H,1-2H3",NUFNGCDVYZKSKE,UHFFFAOYSA,N,Kaempferide 3-rhamnoside,NUFNGCDVYZKSKE-UHFFFAOYSA-N
HMDB40804,754.232029162,C34H42O19,COC1=CC=C(C=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1,"InChI=1S/C34H42O19/c1-11-20(36)24(40)27(43)32(48-11)47-10-18-22(38)26(42)29(45)34(52-18)53-31-23(39)19-16(35)8-15(50-33-28(44)25(41)21(37)12(2)49-33)9-17(19)51-30(31)13-4-6-14(46-3)7-5-13/h4-9,11-12,18,20-22,24-29,32-38,40-45H,10H2,1-3H3",SUZMJMMFSPJQFB,UHFFFAOYSA,N,Kaempferide 3-[rhamnopyranosyl-(1->6)-glucoside] 7-rhamnoside,SUZMJMMFSPJQFB-UHFFFAOYSA-N
HMDB40805,1078.592374564,C53H90O22,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-46-42(67)38(63)35(60)27(19-54)69-46)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)72-47-43(39(64)36(61)28(20-55)70-47)74-48-44(40(65)37(62)29(21-56)71-48)73-45-41(66)34(59)26(58)22-68-45/h10,24-48,54-67H,9,11-22H2,1-8H3",ZXPNUZXGLAHYEE,UHFFFAOYSA,N,Vinaginsenoside R7,ZXPNUZXGLAHYEE-UHFFFAOYSA-N
HMDB40806,292.203844762,C18H28O3,CCCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-16(19)12-10-15-11-13-17(20)18(14-15)21-2/h11,13-14,20H,3-10,12H2,1-2H3",CNKCFVAEACZBPL,UHFFFAOYSA,N,[7]-Paradol,CNKCFVAEACZBPL-UHFFFAOYSA-N
HMDB40807,588.41786028,C39H56O4,CC(CCC=C(C)C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C4(C)C,"InChI=1S/C39H56O4/c1-25(2)9-8-10-26(3)28-17-19-37(7)32-15-14-31-35(4,5)33(18-20-38(31)24-39(32,38)22-21-36(28,37)6)43-34(42)16-12-27-11-13-29(40)30(41)23-27/h9,11-13,16,23,26,28,31-33,40-41H,8,10,14-15,17-22,24H2,1-7H3/b16-12+",QKNCKSQAXGWPIK,FOWTUZBSSA,N,Caffeoylcycloartenol,QKNCKSQAXGWPIK-FOWTUZBSSA-N
HMDB40808,1090.555989058,C53H86O23,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(COC6OC(CO)C(O)C(O)C6O)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,"InChI=1S/C53H86O23/c1-48(2)13-15-53(47(68)76-44-41(67)42(25(57)21-69-44)75-46-40(66)37(63)34(60)28(20-56)73-46)16-14-51(5)23(24(53)17-48)7-8-30-49(3)11-10-31(74-45-39(65)36(62)33(59)27(19-55)72-45)50(4,29(49)9-12-52(30,51)6)22-70-43-38(64)35(61)32(58)26(18-54)71-43/h7,24-46,54-67H,8-22H2,1-6H3",UCOFFSFKNNIOHI,UHFFFAOYSA,N,Quinoside A,UCOFFSFKNNIOHI-UHFFFAOYSA-N
HMDB40809,384.1572885,C22H24O6,COC1=C(OC)C(CC=C(C)C)=CC(=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C22H24O6/c1-12(2)5-6-13-7-14(8-20(26-3)22(13)27-4)18-11-17(25)21-16(24)9-15(23)10-19(21)28-18/h5,7-10,18,23-24H,6,11H2,1-4H3",LMJYCCOYYJEVOW,UHFFFAOYSA,N,"5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone",LMJYCCOYYJEVOW-UHFFFAOYSA-N
HMDB40810,942.482430186,C47H74O19,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(CCC5(CCC43C)C(O)=O)C(O)=O)C2(C)CO)C(O)C(O)C1O,"InChI=1S/C47H74O19/c1-21-29(51)32(54)34(56)37(62-21)65-36-33(55)31(53)25(18-48)63-39(36)66-35-30(52)24(50)19-61-38(35)64-28-10-11-43(3)26(44(28,4)20-49)9-12-46(6)27(43)8-7-22-23-17-42(2,40(57)58)13-15-47(23,41(59)60)16-14-45(22,46)5/h7,21,23-39,48-56H,8-20H2,1-6H3,(H,57,58)(H,59,60)",ZIGYVPCMVRRVNL,UHFFFAOYSA,N,Phytolaccoside I,ZIGYVPCMVRRVNL-UHFFFAOYSA-N
HMDB40811,339.183443671,C21H25NO3,O=C(\C=C\C=C\CC\C=C\C1=CC=C2OCOC2=C1)N1CCCCC1,"InChI=1S/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2+,10-6+,11-7+",KAYVDASZRFLFRZ,PQECNABGSA,N,Dehydropipernonaline,KAYVDASZRFLFRZ-PQECNABGSA-N
HMDB40812,724.221464476,C33H40O18,COC1=C(OC)C=C(C=C1)C1=C(OC2OC(CO)C(OC(=O)CC(C)(O)CC(O)=O)C(O)C2O)C(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1,"InChI=1S/C33H40O18/c1-33(41,11-18(35)36)12-19(37)49-25-17(13-34)48-32(23(40)22(25)39)51-28-21(38)20-26(44-4)29(45-5)31(47-7)30(46-6)27(20)50-24(28)14-8-9-15(42-2)16(10-14)43-3/h8-10,17,22-23,25,32,34,39-41H,11-13H2,1-7H3,(H,35,36)",CVXKGASPLHAFDX,UHFFFAOYSA,N,Natsudaidain 3-(4-O-3-hydroxy-3-methylglutaroylglucoside),CVXKGASPLHAFDX-UHFFFAOYSA-N
HMDB40813,384.120902994,C21H20O7,COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C(CC=C(C)C)=C2O,"InChI=1S/C21H20O7/c1-10(2)4-6-12-14(23)9-16-17(18(12)24)19(25)20(26)21(28-16)11-5-7-13(22)15(8-11)27-3/h4-5,7-9,22-24,26H,6H2,1-3H3",UXTFKMCFQVSJLL,UHFFFAOYSA,N,3'-O-Methylgancaonin P,UXTFKMCFQVSJLL-UHFFFAOYSA-N
HMDB40814,534.194855796,C23H34O14,COC1=CC(\C=C/COC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C23H34O14/c1-32-11-6-10(4-3-5-34-22-19(30)17(28)15(26)13(8-24)35-22)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(9-25)36-23/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3-",RYVGCUJETSKZDU,ARJAWSKDSA,N,Isosyringinoside,RYVGCUJETSKZDU-ARJAWSKDSA-N
HMDB40815,398.329713976,C26H42N2O,CCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2,"InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(29)27-21-20-23-22-28-25-18-16-15-17-24(23)25/h15-18,22,28H,2-14,19-21H2,1H3,(H,27,29)",YZWBXGMMZOEBAN,UHFFFAOYSA,N,Nb-Palmitoyltryptamine,YZWBXGMMZOEBAN-UHFFFAOYSA-N
HMDB40816,426.361014104,C28H46N2O,CCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2,"InChI=1S/C28H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(31)29-23-22-25-24-30-27-20-18-17-19-26(25)27/h17-20,24,30H,2-16,21-23H2,1H3,(H,29,31)",AIIVCXFBTONHDU,UHFFFAOYSA,N,Nb-Stearoyltryptamine,AIIVCXFBTONHDU-UHFFFAOYSA-N
HMDB40817,454.392314232,C30H50N2O,CCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2,"InChI=1S/C30H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(33)31-25-24-27-26-32-29-22-20-19-21-28(27)29/h19-22,26,32H,2-18,23-25H2,1H3,(H,31,33)",PMYMGHIVWFOOOS,UHFFFAOYSA,N,Nb-Arachidoyltryptamine,PMYMGHIVWFOOOS-UHFFFAOYSA-N
HMDB40818,496.439264424,C33H56N2O,CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2,"InChI=1S/C33H56N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33(36)34-28-27-30-29-35-32-25-23-22-24-31(30)32/h22-25,29,35H,2-21,26-28H2,1H3,(H,34,36)",XJUYJAIYKWBPLY,UHFFFAOYSA,N,Nb-Tricosanoyltryptamine,XJUYJAIYKWBPLY-UHFFFAOYSA-N
HMDB40819,510.454914488,C34H58N2O,CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2,"InChI=1S/C34H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-34(37)35-29-28-31-30-36-33-26-24-23-25-32(31)33/h23-26,30,36H,2-22,27-29H2,1H3,(H,35,37)",LQPINJBBNVSTDE,UHFFFAOYSA,N,Nb-Lignoceroyltryptamine,LQPINJBBNVSTDE-UHFFFAOYSA-N
HMDB40820,524.470564552,C35H60N2O,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2,"InChI=1S/C35H60N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35(38)36-30-29-32-31-37-34-27-25-24-26-33(32)34/h24-27,31,37H,2-23,28-30H2,1H3,(H,36,38)",CMFSUURRQYFHDN,UHFFFAOYSA,N,Nb-Pentacosanoyltryptamine,CMFSUURRQYFHDN-UHFFFAOYSA-N
HMDB40821,538.486214616,C36H62N2O,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2,"InChI=1S/C36H62N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-36(39)37-31-30-33-32-38-35-28-26-25-27-34(33)35/h25-28,32,38H,2-24,29-31H2,1H3,(H,37,39)",RBGZJJPNEDSXQH,UHFFFAOYSA,N,Nb-Hexacosanoyltryptamine,RBGZJJPNEDSXQH-UHFFFAOYSA-N
HMDB40822,252.120902994,C10H20O7,CC(O)C(C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C10H20O7/c1-4(12)5(2)16-10-9(15)8(14)7(13)6(3-11)17-10/h4-15H,3H2,1-2H3",ZLXYJEYKAQYNPV,UHFFFAOYSA,N,"2,3-Butanediol glucoside",ZLXYJEYKAQYNPV-UHFFFAOYSA-N
HMDB40823,174.10446507,C12H14O,CC1CCC(=O)C2=CC(C)=CC=C12,"InChI=1S/C12H14O/c1-8-3-5-10-9(2)4-6-12(13)11(10)7-8/h3,5,7,9H,4,6H2,1-2H3",SQESYXTWWGWCFK,UHFFFAOYSA,N,"(S)-11,12,13-Trinor-7-calamenone",SQESYXTWWGWCFK-UHFFFAOYSA-N
HMDB40824,374.230453442,C19H34O7,CC(O)CCC1=C(C)CC(CC1(C)C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3",UJRMJTIXXKZFGB,UHFFFAOYSA,N,Tsangane L 3-glucoside,UJRMJTIXXKZFGB-UHFFFAOYSA-N
HMDB40825,455.179146153,C21H29NO10,OC1COC(OCC2OC(OCCC3=CNC4=CC=CC=C34)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C21H29NO10/c23-13-8-30-20(18(27)15(13)24)31-9-14-16(25)17(26)19(28)21(32-14)29-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,13-28H,5-6,8-9H2",ONVGARFWQRCLML,UHFFFAOYSA,N,Tryptophol [xylosyl-(1->6)-glucoside],ONVGARFWQRCLML-UHFFFAOYSA-N
HMDB40826,1104.571639122,C54H88O23,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C54H88O23/c1-22-31(59)34(62)39(67)45(70-22)75-41-35(63)32(60)25(19-55)71-46(41)76-42-36(64)33(61)26(20-56)72-47(42)77-43-38(66)37(65)40(44(68)69)74-48(43)73-30-12-13-51(5)27(52(30,6)21-57)11-14-54(8)28(51)10-9-23-24-17-49(2,3)18-29(58)50(24,4)15-16-53(23,54)7/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)",MKVWMTXPXIMJMK,UHFFFAOYSA,N,Medinoside E,MKVWMTXPXIMJMK-UHFFFAOYSA-N
HMDB40827,638.111914028,C27H26O18,OC1C(O)C(OC2C(O)C(O)C(OC2OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)=O)OC(C1O)C(O)=O,"InChI=1S/C27H26O18/c28-8-3-1-7(2-4-8)10-5-9(29)13-11(41-10)6-12(14(30)15(13)31)42-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-28,30-36H,(H,37,38)(H,39,40)",IBLZNWWZRXJQAK,UHFFFAOYSA,N,Scutellarein 7-glucuronosyl-(1->2)-glucuronide,IBLZNWWZRXJQAK-UHFFFAOYSA-N
HMDB40828,274.084123558,C15H14O5,OC1C(O)C2=CC=C(O)C=C2OC1C1=CC=C(O)C=C1,"InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,13-19H",NTLUSUFJOUMRLA,UHFFFAOYSA,N,"(2S,3S,4R)-3,4,4',7-Tetrahydroxyflavan",NTLUSUFJOUMRLA-UHFFFAOYSA-N
HMDB40829,339.098787343,C12H21NO8S,OC1COC(O)(CNC(CS(=O)CC=C)C(O)=O)C(O)C1O,"InChI=1S/C12H21NO8S/c1-2-3-22(20)5-7(11(17)18)13-6-12(19)10(16)9(15)8(14)4-21-12/h2,7-10,13-16,19H,1,3-6H2,(H,17,18)",HXMZQSGMNGTGGB,UHFFFAOYSA,N,N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin,HXMZQSGMNGTGGB-UHFFFAOYSA-N
HMDB40830,309.084851839,C14H15NO7,COC1=CC(\C=C\C(=O)NC(CC(O)=O)C(O)=O)=CC=C1O,"InChI=1S/C14H15NO7/c1-22-11-6-8(2-4-10(11)16)3-5-12(17)15-9(14(20)21)7-13(18)19/h2-6,9,16H,7H2,1H3,(H,15,17)(H,18,19)(H,20,21)/b5-3+",SLAOOTKASUKZIE,HWKANZROSA,N,N-Feruloylaspartic acid,SLAOOTKASUKZIE-HWKANZROSA-N
HMDB40831,594.15847029,C27H30O15,OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)C3C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O15/c28-6-13-18(31)21(34)23(36)25(40-13)15-9-2-1-3-12(41-27-24(37)22(35)19(32)14(7-29)42-27)17(9)20(33)16-10(15)4-8(26(38)39)5-11(16)30/h1-5,13-15,18-19,21-25,27-32,34-37H,6-7H2,(H,38,39)",GLHYGFIHRKNBBP,UHFFFAOYSA,N,Rheinoside C,GLHYGFIHRKNBBP-UHFFFAOYSA-N
HMDB40832,434.121296924,C21H22O10,OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=CC(CO)=C2)C(=O)C2=C(O)C=CC(O)=C12,"InChI=1S/C21H22O10/c22-5-7-3-8-13(11(26)4-7)18(28)16-10(25)2-1-9(24)15(16)14(8)21-20(30)19(29)17(27)12(6-23)31-21/h1-4,12,14,17,19-27,29-30H,5-6H2",LJCDCYLYUCZUGL,UHFFFAOYSA,N,5-Hydroxyaloin A,LJCDCYLYUCZUGL-UHFFFAOYSA-N
HMDB40833,216.115029756,C14H16O2,CC(C)=CCC1=C(O)C=CC(\C=C\C=O)=C1,"InChI=1S/C14H16O2/c1-11(2)5-7-13-10-12(4-3-9-15)6-8-14(13)16/h3-6,8-10,16H,7H2,1-2H3/b4-3+",FNDJBOATFIWAJR,ONEGZZNKSA,N,3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal,FNDJBOATFIWAJR-ONEGZZNKSA-N
HMDB40834,384.1572885,C22H24O6,CCOC1OCC(CC2=CC3=C(OCO3)C=C2)C1CC1=CC2=C(OCO2)C=C1,"InChI=1S/C22H24O6/c1-2-23-22-17(8-15-4-6-19-21(10-15)28-13-26-19)16(11-24-22)7-14-3-5-18-20(9-14)27-12-25-18/h3-6,9-10,16-17,22H,2,7-8,11-13H2,1H3",DPOGOONVHHNDDP,UHFFFAOYSA,N,O-Ethylcubebin,DPOGOONVHHNDDP-UHFFFAOYSA-N
HMDB40835,450.167853186,C26H26O7,COC1=C(O)C=C2C(OC(C=C(C)C)C3=C2OC2=C(CC=C(C)C)C(O)=CC(O)=C2C3=O)=C1,"InChI=1S/C26H26O7/c1-12(2)6-7-14-16(27)10-18(29)22-24(30)23-21(8-13(3)4)32-19-11-20(31-5)17(28)9-15(19)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3",RVJOJRVPGYKMQS,UHFFFAOYSA,N,Cycloaltilisin,RVJOJRVPGYKMQS-UHFFFAOYSA-N
HMDB40836,428.18350325,C24H28O7,COC1=CC(OC)=C(C2CC(=O)C3=C(O2)C(CC=C(C)C)=C(OC)C=C3O)C(OC)=C1,"InChI=1S/C24H28O7/c1-13(2)7-8-15-18(28-4)11-16(25)22-17(26)12-21(31-24(15)22)23-19(29-5)9-14(27-3)10-20(23)30-6/h7,9-11,21,25H,8,12H2,1-6H3",CQHDMUSZBYPHBO,UHFFFAOYSA,N,Heteroflavanone B,CQHDMUSZBYPHBO-UHFFFAOYSA-N
HMDB40837,384.120902994,C21H20O7,COC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C(CC=C(C)C)=C1,"InChI=1S/C21H20O7/c1-10(2)4-5-11-6-12(7-15(24)18(11)25)20-21(27-3)19(26)17-14(23)8-13(22)9-16(17)28-20/h4,6-9,22-25H,5H2,1-3H3",VCKYLOIMXUHPDA,UHFFFAOYSA,N,3-O-Methyluralenol,VCKYLOIMXUHPDA-UHFFFAOYSA-N
HMDB40838,754.232029162,C34H42O19,COC1=CC(\C=C\C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C(OC)=C3)C(O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+",FHIJMQWMMZEFBL,KQQUZDAGSA,N,"3',6-Disinapoylsucrose",FHIJMQWMMZEFBL-KQQUZDAGSA-N
HMDB40839,638.475769088,C37H66O8,CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-19-29(38)16-13-10-9-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3",DDFDZKSKODBLSR,UHFFFAOYSA,N,Purpureacin 2,DDFDZKSKODBLSR-UHFFFAOYSA-N
HMDB40840,810.440171442,C42H66O15,[H][C@@]12C(=O)O[C@H](CC=C(C)C)[C@]1(CO)OC(=O)[C@]1(C)[C@]2([H])CCC2[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)C3CC[C@@]12C,"InChI=1S/C42H66O15/c1-19(2)9-12-26-42(18-43)27(34(50)55-26)21-10-11-24-39(6)15-14-25(38(4,5)23(39)13-16-40(24,7)41(21,8)37(51)57-42)56-36-33(49)31(47)29(45)22(54-36)17-52-35-32(48)30(46)28(44)20(3)53-35/h9,20-33,35-36,43-49H,10-18H2,1-8H3/t20-,21+,22+,23?,24?,25-,26+,27+,28-,29+,30+,31-,32+,33+,35+,36-,39-,40+,41-,42-/m0/s1",XSSCNYMOFYTAGP,PEFDFOJDSA,N,15-Oxo-21-hydroxymabiogenin 3-[rhamnosyl-(1->6)-glucoside],XSSCNYMOFYTAGP-PEFDFOJDSA-N
HMDB40841,950.232817022,C42H46O25,OCC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC(=O)\C=C\C4=CC(O)=C(O)C=C4)C3=O)=C2)C(O)C(O)C1O,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+",QBXRXORKIXERDE,QHHAFSJGSA,N,Quercetin 3-(2-caffeoylsophoroside) 7-glucoside,QBXRXORKIXERDE-QHHAFSJGSA-N
HMDB40842,964.248467086,C43H48O25,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(O)C(O)C6O)=CC(O)=C5C4=O)C4=CC(O)=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=C1,"InChI=1S/C43H48O25/c1-60-22-8-15(2-5-19(22)48)3-7-27(51)66-39-34(57)30(53)25(13-45)64-42(39)68-40-35(58)31(54)26(14-46)65-43(40)67-38-32(55)28-21(50)10-17(61-41-36(59)33(56)29(52)24(12-44)63-41)11-23(28)62-37(38)16-4-6-18(47)20(49)9-16/h2-11,24-26,29-31,33-36,39-50,52-54,56-59H,12-14H2,1H3/b7-3+",CBQWFAOISQNPIK,XVNBXDOJSA,N,Quercetin 3-(2-feruloylsophoroside) 7-glucoside,CBQWFAOISQNPIK-XVNBXDOJSA-N
HMDB40843,962.545030442,C48H82O19,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3C(O)CC21C,"InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)63-42)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(44(3,4)40(45)24(53)17-47(28,46)7)65-43-39(36(59)33(56)27(20-51)64-43)66-41-37(60)34(57)31(54)25(18-49)62-41/h10,22-43,49-61H,9,11-20H2,1-8H3",UOJAEODBOCLNBU,UHFFFAOYSA,N,Vinaginsenoside R4,UOJAEODBOCLNBU-UHFFFAOYSA-N
HMDB40844,530.309097692,C27H46O10,CC1OC(OC2C(O)C(O)C(CO)OC2OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C1O,"InChI=1S/C27H46O10/c1-7-27(6,13-9-12-16(4)11-8-10-15(2)3)37-26-24(22(32)20(30)18(14-28)35-26)36-25-23(33)21(31)19(29)17(5)34-25/h7,10,12,17-26,28-33H,1,8-9,11,13-14H2,2-6H3/b16-12+",ATWXTQLIHDYQCP,FOWTUZBSSA,N,(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside],ATWXTQLIHDYQCP-FOWTUZBSSA-N
HMDB40845,676.3670065,C33H56O14,CC1OC(OC2C(C)OC(OC3C(O)C(O)C(CO)OC3OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-29(24(38)22(36)20(15-34)44-32)46-31-27(41)25(39)28(19(6)43-31)45-30-26(40)23(37)21(35)18(5)42-30/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+",NLQYAUOYHNMEPR,GHRIWEEISA,N,(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside],NLQYAUOYHNMEPR-GHRIWEEISA-N
HMDB40846,676.3670065,C33H56O14,CC1OC(OC2C(C)OC(OCC3OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-27(40)24(37)22(35)20(45-32)15-42-30-28(41)25(38)29(19(6)44-30)46-31-26(39)23(36)21(34)18(5)43-31/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+",HIAIQDVRFUXFLS,GHRIWEEISA,N,(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside],HIAIQDVRFUXFLS-GHRIWEEISA-N
HMDB40847,822.424915308,C39H66O18,CC1OC(OCC2OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",RTDSIIMUYUALQO,NBVRZTHBSA,N,(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside],RTDSIIMUYUALQO-NBVRZTHBSA-N
HMDB40848,998.47225943,C49H74O21,COC1=CC(\C=C\C(=O)OC2C(C)OC(OCC3OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(OC4OC(C)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)=CC=C1O,"InChI=1S/C49H74O21/c1-10-49(8,20-12-15-24(4)14-11-13-23(2)3)70-48-44(69-47-41(60)38(57)43(27(7)65-47)68-46-39(58)35(54)33(52)25(5)63-46)36(55)34(53)31(66-48)22-62-45-40(59)37(56)42(26(6)64-45)67-32(51)19-17-28-16-18-29(50)30(21-28)61-9/h10,13,15-19,21,25-27,31,33-48,50,52-60H,1,11-12,14,20,22H2,2-9H3/b19-17+,24-15+",MMELJFGHYBXHPP,ZNPGHRJPSA,N,(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-[4-(4-hydroxy-3-methoxycinnamoyl)-(E)-a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside],MMELJFGHYBXHPP-ZNPGHRJPSA-N
HMDB40849,1044.55050975,C52H84O21,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3",MLIQJRVPWRKGIO,UHFFFAOYSA,N,Caraganoside A,MLIQJRVPWRKGIO-UHFFFAOYSA-N
HMDB40850,1104.571639122,C54H88O23,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-40(67)37(64)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-41(68)43(76-45-39(66)36(63)33(60)26(20-56)71-45)42(28(22-58)73-47)75-44-38(65)35(62)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3",MUJBUNJXXCRGGT,UHFFFAOYSA,N,Araloside G,MUJBUNJXXCRGGT-UHFFFAOYSA-N
HMDB40851,632.39243339,C36H56O9,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)",IUCHKMAZAWJNBJ,UHFFFAOYSA,N,Calenduloside E,IUCHKMAZAWJNBJ-UHFFFAOYSA-N
HMDB40852,882.49768632,C46H74O16,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)60-39-36(62-37-33(53)30(50)24(48)20-57-37)35(25(49)21-58-39)61-38-34(54)32(52)31(51)26(19-47)59-38/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)",QISCHUABGXFSHX,UHFFFAOYSA,N,Elatoside E,QISCHUABGXFSHX-UHFFFAOYSA-N
HMDB40853,1088.540338994,C53H84O23,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)31(58)25(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-40(74-44-36(63)33(60)30(57)24(19-54)69-44)38(65)39(41(75-46)42(66)67)73-43-35(62)32(59)26(21-56)70-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)",XYCUSPPPIYQSLD,UHFFFAOYSA,N,Tarasaponin IV,XYCUSPPPIYQSLD-UHFFFAOYSA-N
HMDB40854,1088.540338994,C53H84O23,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-41(75-43-35(62)30(57)24(56)21-69-43)39(38(65)40(74-46)42(66)67)73-44-36(63)33(60)31(58)25(19-54)70-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)",CAVHSWOJPOOWEG,UHFFFAOYSA,N,Elatoside K,CAVHSWOJPOOWEG-UHFFFAOYSA-N
HMDB40855,1088.540338994,C53H84O23,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)31(58)25(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-38(65)39(73-44-36(63)33(60)30(57)24(19-54)69-44)40(41(75-46)42(66)67)74-43-35(62)32(59)26(21-56)70-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)",ZVGISQJHCGILNM,UHFFFAOYSA,N,Stipuleanoside R2,ZVGISQJHCGILNM-UHFFFAOYSA-N
HMDB40856,926.487515564,C47H74O18,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OCC(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-33(55)34(63-39-32(54)30(52)29(51)24(19-48)61-39)35(36(65-40)37(56)57)64-38-31(53)28(50)23(49)20-60-38/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)",LCTCCRXVCJMLTE,UHFFFAOYSA,N,Tarasaponin I,LCTCCRXVCJMLTE-UHFFFAOYSA-N
HMDB40857,956.49808025,C48H76O19,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O,"InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-34(57)31(54)32(55)37(66-40)38(59)60)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(29(52)24(20-50)63-41)65-39-33(56)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)",ZUBCYPGJTYQRFX,UHFFFAOYSA,N,28-Glucuronyloleanolic acid 3-[galactosyl-(1->3)-glucoside],ZUBCYPGJTYQRFX-UHFFFAOYSA-N
HMDB40858,1118.55090368,C54H86O24,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)",YSCJAYPKBYRXEZ,UHFFFAOYSA,N,Elatoside D,YSCJAYPKBYRXEZ-UHFFFAOYSA-N
HMDB40859,1116.535253616,C54H84O24,CC1OC(OC2C(O)C(O)C(OC2OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C)OC(C2O)C(O)=O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C54H84O24/c1-21-28(56)30(58)34(62)44(71-21)77-41-33(61)32(60)39(42(66)67)76-47(41)74-38-36(64)40(43(68)69)75-46(37(38)65)73-27-12-13-51(6)25(50(27,4)5)11-14-53(8)26(51)10-9-22-23-19-49(2,3)15-17-54(23,18-16-52(22,53)7)48(70)78-45-35(63)31(59)29(57)24(20-55)72-45/h9,21,23-41,44-47,55-65H,10-20H2,1-8H3,(H,66,67)(H,68,69)",IMPZGAYJJGGWNV,UHFFFAOYSA,N,28-Glucosyloleanolic acid 3-[rhamnosyl-(1->2)-galactosyl-(1->3)-glucuronide],IMPZGAYJJGGWNV-UHFFFAOYSA-N
HMDB40860,926.52390107,C48H78O17,CC1OC(OC2C(O)C(O)C(OCC3OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(CCC65C)C(O)=O)C4(C)C)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O,"InChI=1S/C48H78O17/c1-22-30(50)32(52)35(55)40(61-22)65-38-25(20-49)62-39(37(57)34(38)54)60-21-26-31(51)33(53)36(56)41(63-26)64-29-12-13-45(6)27(44(29,4)5)11-14-47(8)28(45)10-9-23-24-19-43(2,3)15-17-48(24,42(58)59)18-16-46(23,47)7/h9,22,24-41,49-57H,10-21H2,1-8H3,(H,58,59)",NOVVFAYZUXDXOX,UHFFFAOYSA,N,Oleanolic acid 3-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside],NOVVFAYZUXDXOX-UHFFFAOYSA-N
HMDB40861,626.148299534,C27H30O17,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3",QCIILLDRJZPUDI,UHFFFAOYSA,N,Myricetin 3-robinobioside,QCIILLDRJZPUDI-UHFFFAOYSA-N
HMDB40862,558.137340918,C27H26O13,OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O,"InChI=1S/C27H26O13/c28-15-5-13(6-16(29)10-15)2-1-12-3-4-20(17(30)7-12)39-27-25(36)24(35)23(34)21(40-27)11-38-26(37)14-8-18(31)22(33)19(32)9-14/h1-10,21,23-25,27-36H,11H2/b2-1-",WBKDRBRGYHZWCT,UPHRSURJSA,N,Piceatannol 4'-galloylglucoside,WBKDRBRGYHZWCT-UPHRSURJSA-N
HMDB40863,406.126382302,C20H22O9,OCC1OC(OC2=C(O)C=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C(O)C1O,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-4-3-10(7-14(15)24)1-2-11-5-12(22)8-13(23)6-11/h1-8,16-27H,9H2/b2-1-",OLCVEOSSVCAFGR,UPHRSURJSA,N,Piceatannol 4'-glucoside,OLCVEOSSVCAFGR-UPHRSURJSA-N
HMDB40864,288.172544634,C18H24O3,COC1=C(OC\C=C(/C)CCC=C(C)C)C=CC(C=O)=C1,"InChI=1S/C18H24O3/c1-14(2)6-5-7-15(3)10-11-21-17-9-8-16(13-19)12-18(17)20-4/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+",SRLAFDUAEAXGBA,XNTDXEJSSA,N,O-Geranylvanillin,SRLAFDUAEAXGBA-XNTDXEJSSA-N
HMDB40865,370.126382302,C17H22O9,COC(=O)\C=C/C1=CC(OC)=CC(OC2OC(CO)C(O)C(O)C2O)=C1,"InChI=1S/C17H22O9/c1-23-10-5-9(3-4-13(19)24-2)6-11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3-7,12,14-18,20-22H,8H2,1-2H3/b4-3-",USFDIQKRDRIDPN,ARJAWSKDSA,N,Linusitamarin,USFDIQKRDRIDPN-ARJAWSKDSA-N
HMDB40866,356.110732238,C16H20O9,COC1=CC(O)=C(\C=C\C(=O)OC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C16H20O9/c1-23-9-4-2-8(10(18)6-9)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+",VUSUWXXWRAWGIH,HWKANZROSA,N,1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose,VUSUWXXWRAWGIH-HWKANZROSA-N
HMDB40867,308.198759384,C18H28O4,CCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O,"InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3",KHBJLRRAMCJZLZ,UHFFFAOYSA,N,5-O-Methylembelin,KHBJLRRAMCJZLZ-UHFFFAOYSA-N
HMDB40868,270.089208936,C16H14O4,COC1=CC(O)=C(C(O)=O)C(\C=C\C2=CC=CC=C2)=C1,"InChI=1S/C16H14O4/c1-20-13-9-12(15(16(18)19)14(17)10-13)8-7-11-5-3-2-4-6-11/h2-10,17H,1H3,(H,18,19)/b8-7+",PICDNGANOHNCPT,BQYQJAHWSA,N,4-O-Methylpinosylvic acid,PICDNGANOHNCPT-BQYQJAHWSA-N
HMDB40869,282.037567296,C12H10O8,OC(=O)C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C12H10O8/c13-7-3-1-6(5-8(7)14)2-4-9(15)20-10(11(16)17)12(18)19/h1-5,10,13-14H,(H,16,17)(H,18,19)/b4-2+",URLZWXXTZHVFBD,DUXPYHPUSA,N,2-O-Caffeoyltartronic acid,URLZWXXTZHVFBD-DUXPYHPUSA-N
HMDB40870,580.47028978,C35H64O6,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC1=C(C)COC1=O,"InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-21-29(36)20-15-12-11-13-16-22-30-28(2)27-40-35(30)39/h29,31-34,36-38H,3-27H2,1-2H3",KIVFDUPDPLNWSU,UHFFFAOYSA,N,Corossoline,KIVFDUPDPLNWSU-UHFFFAOYSA-N
HMDB40871,1376.645985854,C62H104O33,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C62H104O33/c1-22(20-83-54-46(78)41(73)38(70)31(15-63)86-54)7-12-62(82)23(2)36-30(95-62)14-28-26-6-5-24-13-25(8-10-60(24,3)27(26)9-11-61(28,36)4)85-56-48(80)43(75)51(35(19-67)89-56)92-59-53(52(40(72)33(17-65)88-59)93-55-45(77)37(69)29(68)21-84-55)94-58-49(81)44(76)50(34(18-66)90-58)91-57-47(79)42(74)39(71)32(16-64)87-57/h22-59,63-82H,5-21H2,1-4H3",LBLYBYTZXWQUGX,UHFFFAOYSA,N,Capsicoside D,LBLYBYTZXWQUGX-UHFFFAOYSA-N
HMDB40872,1214.593162424,C56H94O28,CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C56H94O28/c1-21(19-74-49-43(70)39(66)36(63)30(15-57)77-49)7-12-56(73)22(2)34-29(84-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)76-51-45(72)41(68)46(33(18-60)80-51)81-53-48(83-52-44(71)40(67)37(64)31(16-58)78-52)47(38(65)32(17-59)79-53)82-50-42(69)35(62)28(61)20-75-50/h21-53,57-73H,5-20H2,1-4H3",FJLUJBDSFBGOPL,UHFFFAOYSA,N,Protodegalactotigonin,FJLUJBDSFBGOPL-UHFFFAOYSA-N
HMDB40873,296.104859,C18H16O4,COC1=CC2=C(C(=O)C=C(O2)C2=CC=CC=C2)C(OC)=C1C,"InChI=1S/C18H16O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-10H,1-3H3",LDGCKWYSZUGWHS,UHFFFAOYSA,N,Dimethylstrobochrysin,LDGCKWYSZUGWHS-UHFFFAOYSA-N
HMDB40874,1150.613503936,C56H94O24,CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C56H94O24/c1-24(2)11-10-15-56(9,80-50-46(71)42(67)39(64)31(77-50)23-73-48-44(69)40(65)36(61)28(20-57)74-48)26-12-17-55(8)35(26)27(60)19-33-53(6)16-14-34(52(4,5)32(53)13-18-54(33,55)7)78-51-47(43(68)37(62)29(21-58)75-51)79-49-45(70)41(66)38(63)30(76-49)22-72-25(3)59/h11,26-51,57-58,60-71H,10,12-23H2,1-9H3",SNHCPECPLQRJNL,UHFFFAOYSA,N,Quinquenoside R1,SNHCPECPLQRJNL-UHFFFAOYSA-N
HMDB40875,726.200729034,C32H38O19,OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O)C(C4OCC(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C(O)C(O)C1O,"InChI=1S/C32H38O19/c33-6-14-20(38)24(42)27(45)31(50-14)18-23(41)17(30-26(44)19(37)12(36)8-47-30)22(40)16-11(35)5-13(49-29(16)18)9-1-3-10(4-2-9)48-32-28(46)25(43)21(39)15(7-34)51-32/h1-5,12,14-15,19-21,24-28,30-34,36-46H,6-8H2",JUJNPKAGUBZERG,UHFFFAOYSA,N,Isoschaftoside 4'-glucoside,JUJNPKAGUBZERG-UHFFFAOYSA-N
HMDB40876,244.073558872,C14H12O4,CC(=C)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2,"InChI=1S/C14H12O4/c1-7(2)10-6-9-5-8-3-4-11(15)18-13(8)12(16)14(9)17-10/h3-5,10,16H,1,6H2,2H3",VIUKEEZPYOJNOJ,UHFFFAOYSA,N,(R)-Apiumetin,VIUKEEZPYOJNOJ-UHFFFAOYSA-N
HMDB40877,360.084517488,C18H16O8,COC1=C(O)C2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C18H16O8/c1-23-10-5-4-8(6-11(10)24-2)17-16(22)15(21)13-9(19)7-12(25-3)14(20)18(13)26-17/h4-7,19-20,22H,1-3H3",WQQCLPYPEXSIFI,UHFFFAOYSA,N,"3,5,8-Trihydroxy-3',4',7-trimethoxyflavone",WQQCLPYPEXSIFI-UHFFFAOYSA-N
HMDB40878,726.200729034,C32H38O19,OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OCC(O)C(O)C4O)=C3O2)C(O)C(O)C1O,"InChI=1S/C32H38O19/c33-6-14-20(38)24(42)27(45)31(50-14)17-22(40)16-11(35)5-13(49-29(16)18(23(17)41)30-26(44)19(37)12(36)8-47-30)9-1-3-10(4-2-9)48-32-28(46)25(43)21(39)15(7-34)51-32/h1-5,12,14-15,19-21,24-28,30-34,36-46H,6-8H2",RQNICSULQVIVER,UHFFFAOYSA,N,Schaftoside 4'-glucoside,RQNICSULQVIVER-UHFFFAOYSA-N
HMDB40879,810.440171442,C42H66O15,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)56-34-32(28(46)23(45)19-54-34)57-33-31(49)30(48)29(47)24(18-43)55-33/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)",CTWMGJMDAUJZDO,UHFFFAOYSA,N,Phytolaccoside D2,CTWMGJMDAUJZDO-UHFFFAOYSA-N
HMDB40880,956.49808025,C48H76O19,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C48H76O19/c1-22-30(52)33(55)35(57)38(63-22)66-37-34(56)32(54)26(19-49)64-40(37)67-36-31(53)25(51)20-62-39(36)65-29-11-12-44(3)27(45(29,4)21-50)10-13-47(6)28(44)9-8-23-24-18-43(2,42(60)61-7)14-16-48(24,41(58)59)17-15-46(23,47)5/h8,22,24-40,49-57H,9-21H2,1-7H3,(H,58,59)",GSUHSCPABMCWMK,UHFFFAOYSA,N,Phytolaccoside F,GSUHSCPABMCWMK-UHFFFAOYSA-N
HMDB40881,1306.598247802,C65H94O27,CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(O)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC23C)C2CC(C)(C)C(OC(=O)\C=C\C3=CC=CC=C3)C(OC(C)=O)C12CO,"InChI=1S/C65H94O27/c1-29(68)84-40-24-64(9)32(33-23-60(3,4)53(54(85-30(2)69)65(33,40)28-67)88-41(72)18-15-31-13-11-10-12-14-31)16-17-38-62(7)21-20-39(61(5,6)37(62)19-22-63(38,64)8)87-59-52(92-57-47(78)45(76)44(75)36(25-66)86-57)49(48(79)50(90-59)55(80)81)89-58-51(43(74)35(71)27-83-58)91-56-46(77)42(73)34(70)26-82-56/h10-16,18,33-40,42-54,56-59,66-67,70-71,73-79H,17,19-28H2,1-9H3,(H,80,81)/b18-15+",DTIRRQKBWVMPSW,OBGWFSINSA,N,Theasaponin B1,DTIRRQKBWVMPSW-OBGWFSINSA-N
HMDB40882,1062.52468893,C51H82O23,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(COC2OC(CO)C(O)C(O)C2O)CO1,"InChI=1S/C51H82O23/c1-20-32-28(74-51(20)12-7-22(19-66-51)18-65-45-39(61)37(59)34(56)29(15-52)69-45)14-27-25-6-5-23-13-24(8-10-49(23,3)26(25)9-11-50(27,32)4)68-48-44(73-46-40(62)36(58)33(55)21(2)67-46)42(64)43(31(17-54)71-48)72-47-41(63)38(60)35(57)30(16-53)70-47/h5,20-22,24-48,52-64H,6-19H2,1-4H3",YPCSVWREJGHDEO,UHFFFAOYSA,N,Deltoside,YPCSVWREJGHDEO-UHFFFAOYSA-N
HMDB40883,184.109944378,C10H16O3,OC(=O)CCCCCC\C=C\C=O,"InChI=1S/C10H16O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,9H,1-4,6,8H2,(H,12,13)/b7-5+",YUAQBOMIASXPQW,FNORWQNLSA,N,(E)-10-Oxo-8-decenoic acid,YUAQBOMIASXPQW-FNORWQNLSA-N
HMDB40884,422.448766478,C29H58O,CCCCCCCCCCCCCCCCCCCC(O)CCCC1CCCCC1,"InChI=1S/C29H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-29(30)27-22-25-28-23-19-18-20-24-28/h28-30H,2-27H2,1H3",NOUDABILYBTVKT,UHFFFAOYSA,N,(-)-1-Cyclohexyl-4-tricosanol,NOUDABILYBTVKT-UHFFFAOYSA-N
HMDB40885,424.428031036,C28H56O2,CCCCCCCCCCCCCCCCC(O)\C=C\CCCCCCCCCO,"InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-22-25-28(30)26-23-20-17-14-12-15-18-21-24-27-29/h23,26,28-30H,2-22,24-25,27H2,1H3/b26-23+",APNXBSZKFIAFGU,WNAAXNPUSA,N,"10-Octacosene-1,12-diol",APNXBSZKFIAFGU-WNAAXNPUSA-N
HMDB40886,450.480066606,C31H62O,CCCCCCCCCC(=O)CCCCCCCCCCCCCCC(C)CCCCC,"InChI=1S/C31H62O/c1-4-6-8-9-16-20-24-28-31(32)29-25-21-18-15-13-11-10-12-14-17-19-23-27-30(3)26-22-7-5-2/h30H,4-29H2,1-3H3",BRSOYKIAEJTKCP,UHFFFAOYSA,N,25-Methyl-10-triacontanone,BRSOYKIAEJTKCP-UHFFFAOYSA-N
HMDB40887,368.36543078,C24H48O2,CCC\C=C\CC(O)CCCCCCCCCCCCCCCCCO,"InChI=1S/C24H48O2/c1-2-3-4-18-21-24(26)22-19-16-14-12-10-8-6-5-7-9-11-13-15-17-20-23-25/h4,18,24-26H,2-3,5-17,19-23H2,1H3/b18-4+",JYZDOSWMZPZDMV,JJPRUIFNSA,N,"20-Tetracosene-1,18-diol",JYZDOSWMZPZDMV-JJPRUIFNSA-N
HMDB40888,268.240230268,C17H32O2,CCCCCCCCCCCCCC(=O)CC(C)=O,"InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16(2)18/h3-15H2,1-2H3",VZRNDOSIHXJXCH,UHFFFAOYSA,N,"2,4-Heptadecanedione",VZRNDOSIHXJXCH-UHFFFAOYSA-N
HMDB40889,292.109944378,C19H16O3,OC1=CC=C(\C=C\C=C\C(=O)\C=C/C2=CC=C(O)C=C2)C=C1,"InChI=1S/C19H16O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-14,21-22H/b3-1+,4-2+,10-7-",PALMCMYYFAHUGA,ZRFKDBLFSA,N,"(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one",PALMCMYYFAHUGA-ZRFKDBLFSA-N
HMDB40890,224.104859,C12H16O4,COC1=CC(\C=C/CO)=CC(OC)=C1OC,"InChI=1S/C12H16O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h4-5,7-8,13H,6H2,1-3H3/b5-4-",HZDDMDAKGIRCPP,PLNGDYQASA,N,"3',4',5'-Trimethoxycinnamyl alcohol",HZDDMDAKGIRCPP-PLNGDYQASA-N
HMDB40891,266.115423686,C14H18O5,COC1=CC(\C=C/COC(C)=O)=CC(OC)=C1OC,"InChI=1S/C14H18O5/c1-10(15)19-7-5-6-11-8-12(16-2)14(18-4)13(9-11)17-3/h5-6,8-9H,7H2,1-4H3/b6-5-",IMLQOKDTSYBFHF,WAYWQWQTSA,N,"3',4',5'-Trimethoxycinnamyl alcohol acetate",IMLQOKDTSYBFHF-WAYWQWQTSA-N
HMDB40892,208.073558872,C11H12O4,COC1=C2OCOC2=CC(\C=C/CO)=C1,"InChI=1S/C11H12O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-3,5-6,12H,4,7H2,1H3/b3-2-",QSGMKFMIYYKIKX,IHWYPQMZSA,N,"3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol",QSGMKFMIYYKIKX-IHWYPQMZSA-N
HMDB40893,264.151415262,C19H20O,OC(CCC1=CC=CC=C1)\C=C\C=C/C1=CC=CC=C1,"InChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14,19-20H,15-16H2/b13-7-,14-8+",OVURIZIJDDTXJS,MFUUIURDSA,N,"(E,E)-1,7-Diphenyl-4,6-heptadien-3-ol",OVURIZIJDDTXJS-MFUUIURDSA-N
HMDB40894,454.141638436,C28H22O6,OC1=CC=C(\C=C2\C(C(C3=C2C=C(O)C=C3O)C2=CC(O)=CC(O)=C2)C2=CC=C(O)C=C2)C=C1,"InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(17-10-20(31)12-21(32)11-17)26(23)16-3-7-19(30)8-4-16/h1-14,26-27,29-34H/b23-9+",NJFRRNXUFGQUEK,NUGSKGIGSA,N,Ampelopsin D,NJFRRNXUFGQUEK-NUGSKGIGSA-N
HMDB40895,368.147117744,C18H24O8,COC(=O)CCCC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C18H24O8/c1-3-12(9-7-5-4-6-8-10-14(20)24-2)25-18-17(23)16(22)15(21)13(11-19)26-18/h3,12-13,15-19,21-23H,1,6,8,10-11H2,2H3",XCRGUWJZEOHKGC,UHFFFAOYSA,N,"Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside",XCRGUWJZEOHKGC-UHFFFAOYSA-N
HMDB40896,398.15768243,C19H26O9,COC(=O)CC(O)CCC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C19H26O9/c1-3-13(9-7-5-4-6-8-12(21)10-15(22)26-2)27-19-18(25)17(24)16(23)14(11-20)28-19/h3,12-14,16-21,23-25H,1,6,8,10-11H2,2H3",UOPMCWHYLKOBAX,UHFFFAOYSA,N,"Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside",UOPMCWHYLKOBAX-UHFFFAOYSA-N
HMDB40897,396.142032366,C19H24O9,COC(=O)CC(O)\C=C\C#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C19H24O9/c1-3-13(9-7-5-4-6-8-12(21)10-15(22)26-2)27-19-18(25)17(24)16(23)14(11-20)28-19/h3,6,8,12-14,16-21,23-25H,1,10-11H2,2H3/b8-6+",CDSGJPSZVQMWJQ,SOFGYWHQSA,N,"Methyl (3x,4E,10R)-3,10-dihydroxy-4,11-dodecadiene-6,8-diynoate 10-glucoside",CDSGJPSZVQMWJQ-SOFGYWHQSA-N
HMDB40898,354.13146768,C17H22O8,COC(=O)CCC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C17H22O8/c1-3-11(8-6-4-5-7-9-13(19)23-2)24-17-16(22)15(21)14(20)12(10-18)25-17/h3,11-12,14-18,20-22H,1,7,9-10H2,2H3",AVPBONMPAMZUKG,UHFFFAOYSA,N,"Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside",AVPBONMPAMZUKG-UHFFFAOYSA-N
HMDB40899,380.147117744,C19H24O8,COC(=O)C\C=C/CC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C,"InChI=1S/C19H24O8/c1-3-13(10-8-6-4-5-7-9-11-15(21)25-2)26-19-18(24)17(23)16(22)14(12-20)27-19/h3,7,9,13-14,16-20,22-24H,1,5,11-12H2,2H3/b9-7-",MBJLYSAPIVPYNP,CLFYSBASSA,N,Methyl helianthenoate A glucoside,MBJLYSAPIVPYNP-CLFYSBASSA-N
HMDB40900,312.230059512,C18H32O4,CCCCCC(O)\C=C\C(=O)CCCCCCCCC(O)=O,"InChI=1S/C18H32O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h14-16,19H,2-13H2,1H3,(H,21,22)/b15-14+",CZGIUGHMJZYXNX,CCEZHUSRSA,N,(±)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid,CZGIUGHMJZYXNX-CCEZHUSRSA-N
HMDB40901,342.240624198,C19H34O5,CCCCCC(O)\C=C\C(=O)C(CCCCCCCC(O)=O)OC,"InChI=1S/C19H34O5/c1-3-4-8-11-16(20)14-15-17(21)18(24-2)12-9-6-5-7-10-13-19(22)23/h14-16,18,20H,3-13H2,1-2H3,(H,22,23)/b15-14+",VFSWPXFUIZSPGW,CCEZHUSRSA,N,13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid,VFSWPXFUIZSPGW-CCEZHUSRSA-N
HMDB40902,232.146329884,C15H20O2,CC(C)=CC(=O)C\C(C)=C\CCC1=COC=C1,"InChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h5,7-9,11H,4,6,10H2,1-3H3/b13-5+",UFGQHNWFUWHNSS,WLRTZDKTSA,N,"(E)-9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one",UFGQHNWFUWHNSS-WLRTZDKTSA-N
HMDB40903,246.125594442,C15H18O3,CC1=COC(CC2(C)CCC(O2)C2=COC=C2)=C1,"InChI=1S/C15H18O3/c1-11-7-13(17-9-11)8-15(2)5-3-14(18-15)12-4-6-16-10-12/h4,6-7,9-10,14H,3,5,8H2,1-2H3",LMSPQIDVRZANSJ,UHFFFAOYSA,N,Ipomeabisfuran,LMSPQIDVRZANSJ-UHFFFAOYSA-N
HMDB40904,256.203844762,C15H28O3,CC(C)CC(=O)CC1(C)CCC(O1)C(C)CCO,"InChI=1S/C15H28O3/c1-11(2)9-13(17)10-15(4)7-5-14(18-15)12(3)6-8-16/h11-12,14,16H,5-10H2,1-4H3",NQUGBBCWSQRMST,UHFFFAOYSA,N,Ipomeatetrahydrofuran,NQUGBBCWSQRMST-UHFFFAOYSA-N
HMDB40905,266.151809192,C15H22O4,CC(C)CC(=O)CC1(C)CCC(O1)C1=CCOC1=O,"InChI=1S/C15H22O4/c1-10(2)8-11(16)9-15(3)6-4-13(19-15)12-5-7-18-14(12)17/h5,10,13H,4,6-9H2,1-3H3",WZUJTFLPWFXBST,UHFFFAOYSA,N,Ipomeamaronolide,WZUJTFLPWFXBST-UHFFFAOYSA-N
HMDB40906,234.089208936,C13H14O4,COC1=CC(O)(C(C)=O)C2=C1C=C(OC)C=C2,"InChI=1S/C13H14O4/c1-8(14)13(15)7-12(17-3)10-6-9(16-2)4-5-11(10)13/h4-7,15H,1-3H3",BIUULCNWWFDCPG,UHFFFAOYSA,N,Coixinden B,BIUULCNWWFDCPG-UHFFFAOYSA-N
HMDB40907,366.386166222,C25H50O,CCCCCCCCCCCCCCCCCCC(=O)CCCCCC,"InChI=1S/C25H50O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-25(26)23-21-8-6-4-2/h3-24H2,1-2H3",ZKISAEBFBKQQID,UHFFFAOYSA,N,7-Pentacosanone,ZKISAEBFBKQQID-UHFFFAOYSA-N
HMDB40908,422.485151984,C30H62,CCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCC,"InChI=1S/C30H62/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30(3)28-5-2/h30H,4-29H2,1-3H3",INYZHMFILKJYAJ,UHFFFAOYSA,N,4-Methylnonacosane,INYZHMFILKJYAJ-UHFFFAOYSA-N
HMDB40909,398.375995466,C25H50O3,CCC(C)CCCCCCCCCCCCCCCCCCCC(O)C(O)=O,"InChI=1S/C25H50O3/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(26)25(27)28/h23-24,26H,3-22H2,1-2H3,(H,27,28)",IJYLBYZUFMZUOS,UHFFFAOYSA,N,2-Hydroxy-22-methyltetracosanoic acid,IJYLBYZUFMZUOS-UHFFFAOYSA-N
HMDB40910,360.120902994,C19H20O7,COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=C(OC)C=C(OC)C=C1OC,"InChI=1S/C19H20O7/c1-22-10-5-12(20)18-13(21)9-17(26-16(18)8-10)19-14(24-3)6-11(23-2)7-15(19)25-4/h5-8,17,20H,9H2,1-4H3",JEXUYOSYJIRTIF,UHFFFAOYSA,N,Heteroflavanone A,JEXUYOSYJIRTIF-UHFFFAOYSA-N
HMDB40911,138.079312952,C7H10N2O,COC1=C(C)N=C(C)C=N1,"InChI=1S/C7H10N2O/c1-5-4-8-7(10-3)6(2)9-5/h4H,1-3H3",BXKLSVWRSUPMBO,UHFFFAOYSA,N,"2-Methoxy-3,5-dimethylpyrimidine",BXKLSVWRSUPMBO-UHFFFAOYSA-N
HMDB40912,374.133867716,C16H18N6O5,OCC1OC(C(O)C1O)N1C=NC2=C(NCC3=NC=C(O)C=C3)N=CN=C12,"InChI=1S/C16H18N6O5/c23-5-10-12(25)13(26)16(27-10)22-7-21-11-14(19-6-20-15(11)22)18-3-8-1-2-9(24)4-17-8/h1-2,4,6-7,10,12-13,16,23-26H,3,5H2,(H,18,19,20)",IRZNDKKKFMEHTG,UHFFFAOYSA,N,N-[(5-Hydroxy-2-pyridinyl)methyl]adenosine,IRZNDKKKFMEHTG-UHFFFAOYSA-N
HMDB40913,1012.378239888,C60H56N2O13,CC(C)C1=C(O)C(=O)C2=C3NC(OC4=C2C1=CC(C)=C4C1=C(O)C2=C(C=N)C(O)=C(O)C(C(C)C)=C2C=C1C)=C1C(=O)C(O)=C(C(C)C)C2=CC(C)=C(C(O3)=C12)C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C,"InChI=1S/C60H56N2O13/c1-19(2)33-27-13-23(9)37(49(66)41(27)31(17-61)47(64)51(33)68)39-25(11)15-29-35(21(5)6)53(70)55(72)45-43(29)57(39)74-59-46-44-30(36(22(7)8)54(71)56(46)73)16-26(12)40(58(44)75-60(45)62-59)38-24(10)14-28-34(20(3)4)52(69)48(65)32(18-63)42(28)50(38)67/h13-22,61-62,64-71H,1-12H3",UGHAANNLJNAXPH,UHFFFAOYSA,N,Gossypurpurin,UGHAANNLJNAXPH-UHFFFAOYSA-N
HMDB40914,1159.650213259,C56H85N15O12,CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(N)=O,"InChI=1S/C56H85N15O12/c1-30(2)25-38(46(59)74)65-48(76)37(15-10-22-62-56(60)61)64-52(80)44-17-12-24-71(44)55(83)42(28-35-18-20-36(72)21-19-35)69-47(75)33(6)63-49(77)39(26-31(3)4)66-50(78)40(27-34-13-8-7-9-14-34)67-51(79)41(29-45(58)73)68-53(81)43-16-11-23-70(43)54(82)32(5)57/h7-9,13-14,18-21,30-33,37-44,72H,10-12,15-17,22-29,57H2,1-6H3,(H2,58,73)(H2,59,74)(H,63,77)(H,64,80)(H,65,76)(H,66,78)(H,67,79)(H,68,81)(H,69,75)(H4,60,61,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1",KGNBMVHUZCHPPM,RSOQHMFVSA,N,Mytilus Small cardioactive peptide,KGNBMVHUZCHPPM-RSOQHMFVSA-N
HMDB40915,288.115029756,C20H16O2,CC(C)=C\C=C/C1=CC2=C(C=C1)C(=O)C1=CC=CC=C1C2=O,"InChI=1S/C20H16O2/c1-13(2)6-5-7-14-10-11-17-18(12-14)20(22)16-9-4-3-8-15(16)19(17)21/h3-12H,1-2H3/b7-5-",BIHNBOKNHXYFQJ,ALCCZGGFSA,N,"2-(4-Methyl-1,3-pentadienyl)anthraquinone",BIHNBOKNHXYFQJ-ALCCZGGFSA-N
HMDB40916,290.13067982,C20H18O2,CC(C)=CCCC1=CC2=C(C=C1)C(=O)C1=CC=CC=C1C2=O,"InChI=1S/C20H18O2/c1-13(2)6-5-7-14-10-11-17-18(12-14)20(22)16-9-4-3-8-15(16)19(17)21/h3-4,6,8-12H,5,7H2,1-2H3",NQVBCGTZRWHVSY,UHFFFAOYSA,N,2-(4-Methyl-3-pentenyl)anthraquinone,NQVBCGTZRWHVSY-UHFFFAOYSA-N
HMDB40917,630.268964212,C34H38N4O8,CC1=C(C=C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(N1)C1C(C(O)=O)C(=O)C2=C1NC(CC1=C(CCO)C(C)=C(N1)C=O)=C2C,"InChI=1S/C34H38N4O8/c1-6-18-14(2)22(38-33(18)44)11-21-16(4)20(7-8-26(41)42)30(36-21)28-29(34(45)46)32(43)27-17(5)23(37-31(27)28)12-24-19(9-10-39)15(3)25(13-40)35-24/h6,13,22,28-29,35-37,39H,1,7-12H2,2-5H3,(H,38,44)(H,41,42)(H,45,46)",YPLJVRLRZHFNIJ,UHFFFAOYSA,N,Brassica napus non-fluorescent chlorophyll catabolite 3,YPLJVRLRZHFNIJ-UHFFFAOYSA-N
HMDB40918,560.44407503,C35H60O5,CCCCCCCCCCCCC1OC1CCC1OC1CCCCC(=O)CCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H60O5/c1-3-4-5-6-7-8-9-10-14-17-23-31-33(39-31)25-26-34-32(40-34)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)38-35(29)37/h27-28,31-34H,3-26H2,1-2H3",HNFUHWXJCCMXEW,UHFFFAOYSA,N,Corepoxylone,HNFUHWXJCCMXEW-UHFFFAOYSA-N
HMDB40919,596.465204402,C35H64O7,CCCCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCC2CC(CC(C)=O)C(=O)O2)O1,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32(38)22-23-33(39)34-24-21-29(41-34)18-15-14-16-19-30-26-28(25-27(2)36)35(40)42-30/h28-34,37-39H,3-26H2,1-2H3",QVMZZZFJAWBQSP,UHFFFAOYSA,N,Gigantetrocinone,QVMZZZFJAWBQSP-UHFFFAOYSA-N
HMDB40920,530.46989585,C35H62O3,CCCCCCCCCCCC\C=C/CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33-34(38-33)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)37-35(32)36/h19,22,30-31,33-34H,3-18,20-21,23-29H2,1-2H3/b22-19-",BUQYQSMGNYBXDM,QOCHGBHMSA,N,Epoxymurin A,BUQYQSMGNYBXDM-QOCHGBHMSA-N
HMDB40921,546.464810472,C35H62O4,CCCCCCCCCCCCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O4/c1-3-4-5-6-7-8-12-15-18-21-24-31-33(38-31)26-27-34-32(39-34)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)37-35(30)36/h28-29,31-34H,3-27H2,1-2H3",MYTQYFDNFPLMAI,UHFFFAOYSA,N,Diepomuricanin A,MYTQYFDNFPLMAI-UHFFFAOYSA-N
HMDB40922,530.46989585,C35H62O3,CCCCCCCCCCCCC1OC1CC\C=C/CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O3/c1-3-4-5-6-7-8-16-19-22-25-28-33-34(38-33)29-26-23-20-17-14-12-10-9-11-13-15-18-21-24-27-32-30-31(2)37-35(32)36/h20,23,30-31,33-34H,3-19,21-22,24-29H2,1-2H3/b23-20-",PTXDXCCEDUBSJA,ATJXCDBQSA,N,Epoxymurin B,PTXDXCCEDUBSJA-ATJXCDBQSA-N
HMDB40923,530.46989585,C35H62O3,CCCCCCCCCCCCCC\C=C\CCC1OC1CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-33-34(38-33)29-26-23-20-17-16-18-21-24-27-32-30-31(2)37-35(32)36/h19,22,30-31,33-34H,3-18,20-21,23-29H2,1-2H3/b22-19+",INAWEXWDPOFSPN,ZBJSNUHESA,N,Epomuricenin B,INAWEXWDPOFSPN-ZBJSNUHESA-N
HMDB40924,276.024633148,C6H13O10P,OCC(O)(C(O)C(O)COP(O)(O)=O)C(O)=O,"InChI=1S/C6H13O10P/c7-2-6(12,5(10)11)4(9)3(8)1-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)",FCQQRWFREZXSMK,UHFFFAOYSA,N,2-Carboxyarabinitol 5-phosphate,FCQQRWFREZXSMK-UHFFFAOYSA-N
HMDB40925,150.068079564,C9H10O2,CC(C)=C(C=O)C1=CC=CO1,"InChI=1S/C9H10O2/c1-7(2)8(6-10)9-4-3-5-11-9/h3-6H,1-2H3",JWRBBXQUYVJOLN,UHFFFAOYSA,N,2-(2-Furanyl)-3-methyl-2-butenal,JWRBBXQUYVJOLN-UHFFFAOYSA-N
HMDB40926,274.15689457,C17H22O3,CCCCC1=CC=C(CCC2=CC(OC)=C(O)C=C2)O1,"InChI=1S/C17H22O3/c1-3-4-5-14-9-10-15(20-14)8-6-13-7-11-16(18)17(12-13)19-2/h7,9-12,18H,3-6,8H2,1-2H3",VFYKGOGEJRZWKU,UHFFFAOYSA,N,2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan,VFYKGOGEJRZWKU-UHFFFAOYSA-N
HMDB40927,302.188194698,C19H26O3,CCCCCCC1=CC=C(CCC2=CC(OC)=C(O)C=C2)O1,"InChI=1S/C19H26O3/c1-3-4-5-6-7-16-11-12-17(22-16)10-8-15-9-13-18(20)19(14-15)21-2/h9,11-14,20H,3-8,10H2,1-2H3",WZHSIDQBPQYZNL,UHFFFAOYSA,N,2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan,WZHSIDQBPQYZNL-UHFFFAOYSA-N
HMDB40928,330.219494826,C21H30O3,CCCCCCCCC1=CC=C(CCC2=CC(OC)=C(O)C=C2)O1,"InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-18-13-14-19(24-18)12-10-17-11-15-20(22)21(16-17)23-2/h11,13-16,22H,3-10,12H2,1-2H3",LUISKKSBOJYGAL,UHFFFAOYSA,N,2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran,LUISKKSBOJYGAL-UHFFFAOYSA-N
HMDB40929,274.120509064,C16H18O4,COC1=C(OC)C(O)=C(O)C(CCC2=CC=CC=C2)=C1,"InChI=1S/C16H18O4/c1-19-13-10-12(14(17)15(18)16(13)20-2)9-8-11-6-4-3-5-7-11/h3-7,10,17-18H,8-9H2,1-2H3",CWSITSYPUXRHCS,UHFFFAOYSA,N,Batatasin II,CWSITSYPUXRHCS-UHFFFAOYSA-N
HMDB40930,326.115423686,C19H18O5,COC1=C(O)C=CC(\C=C/C(=O)/C=C\C2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3-,8-4-",ISIMGBQRFXXNON,VHOZIDCHSA,N,"1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one",ISIMGBQRFXXNON-VHOZIDCHSA-N
HMDB40931,296.104859,C18H16O4,COC1=C(O)C=CC(\C=C/C(=O)/C=C\C2=CC=C(O)C=C2)=C1,"InChI=1S/C18H16O4/c1-22-18-12-14(6-11-17(18)21)5-10-16(20)9-4-13-2-7-15(19)8-3-13/h2-12,19,21H,1H3/b9-4-,10-5-",QVRYUUYYIWAQHV,AVWDGMTFSA,N,"1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one",QVRYUUYYIWAQHV-AVWDGMTFSA-N
HMDB40932,200.024021861,C9H9ClO3,COC1=CC(C=O)=CC(OC)=C1Cl,"InChI=1S/C9H9ClO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3",GTEZQOCVTNORJP,UHFFFAOYSA,N,"4-Chloro-3,5-dimethoxybenzaldehyde",GTEZQOCVTNORJP-UHFFFAOYSA-N
HMDB40933,202.039671925,C9H11ClO3,COC1=CC(CO)=CC(OC)=C1Cl,"InChI=1S/C9H11ClO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-4,11H,5H2,1-2H3",NEORIYMPRMFPGM,UHFFFAOYSA,N,"4-Chloro-3,5-dimethoxybenzyl alcohol",NEORIYMPRMFPGM-UHFFFAOYSA-N
HMDB40934,384.120902994,C21H20O7,COC1=C(OC2=C(C(O)=C(O)C=C2)C1=O)C1=CC(O)=C(O)C=C1CC=C(C)C,"InChI=1S/C21H20O7/c1-10(2)4-5-11-8-14(23)15(24)9-12(11)20-21(27-3)19(26)17-16(28-20)7-6-13(22)18(17)25/h4,6-9,22-25H,5H2,1-3H3",QSIXTSXIETZHGN,UHFFFAOYSA,N,Uralene,QSIXTSXIETZHGN-UHFFFAOYSA-N
HMDB40935,328.094688244,C18H16O6,COC(=O)C1=C(OC2=C1C=CC(OC)=C2)C1=C(OC)C=C(O)C=C1,"InChI=1S/C18H16O6/c1-21-11-5-7-12-15(9-11)24-17(16(12)18(20)23-3)13-6-4-10(19)8-14(13)22-2/h4-9,19H,1-3H3",FFAIKFRIUGUDRP,UHFFFAOYSA,N,Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate,FFAIKFRIUGUDRP-UHFFFAOYSA-N
HMDB40936,314.115423686,C18H18O5,COC1=CC(OC)=C(\C(O)=C\C(=O)C2=CC=CC=C2)C(O)=C1C,"InChI=1S/C18H18O5/c1-11-15(22-2)10-16(23-3)17(18(11)21)14(20)9-13(19)12-7-5-4-6-8-12/h4-10,20-21H,1-3H3/b14-9-",VDTALNHKFXTASW,ZROIWOOFSA,N,"beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone",VDTALNHKFXTASW-ZROIWOOFSA-N
HMDB40937,344.13186161,C12H24O11,OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,"InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2",VQHSOMBJVWLPSR,UHFFFAOYSA,N,Lactitol,VQHSOMBJVWLPSR-UHFFFAOYSA-N
HMDB40938,190.062994186,C11H10O3,COC1=CC(=O)C2=C1C=C(OC)C=C2,"InChI=1S/C11H10O3/c1-13-7-3-4-8-9(5-7)11(14-2)6-10(8)12/h3-6H,1-2H3",XYQHDIQOTJVFDF,UHFFFAOYSA,N,Coixinden A,XYQHDIQOTJVFDF-UHFFFAOYSA-N
HMDB40939,156.006741636,C7H8S2,CSSC1=CC=CC=C1,"InChI=1S/C7H8S2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3",LMSQHVXHZCNJEP,UHFFFAOYSA,N,Methyl phenyl disulfide,LMSQHVXHZCNJEP-UHFFFAOYSA-N
HMDB40940,269.271864747,C17H35NO,CC(C)CCCCCCCCCCCC\N=C(\C)O,"InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)",AMLDBWWQKYLAHJ,UHFFFAOYSA,N,Capsiamide,AMLDBWWQKYLAHJ-UHFFFAOYSA-N
HMDB40941,650.402998076,C36H58O10,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)",ZOUJKJNUAOXJGL,UHFFFAOYSA,N,Arjunolic acid 3-glucoside,ZOUJKJNUAOXJGL-UHFFFAOYSA-N
HMDB40942,958.513730314,C48H78O19,[H][C@@]12C(=O)O[C@H](CC=C(C)C)[C@]1(C)O[C@H](O)[C@]1(C)[C@]2([H])CCC2[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)C3CC[C@@]12C,"InChI=1S/C48H78O19/c1-20(2)10-13-28-48(9)29(39(58)64-28)22-11-12-26-45(6)16-15-27(44(4,5)25(45)14-17-46(26,7)47(22,8)43(59)67-48)65-42-38(66-41-37(57)34(54)31(51)23(18-49)62-41)35(55)32(52)24(63-42)19-60-40-36(56)33(53)30(50)21(3)61-40/h10,21-38,40-43,49-57,59H,11-19H2,1-9H3/t21-,22+,23+,24+,25?,26?,27-,28+,29+,30-,31+,32+,33+,34-,35-,36+,37+,38+,40+,41-,42-,43-,45-,46+,47-,48-/m0/s1",NJXHMMCRCDCKNH,UZTDFSENSA,N,Mabiogenin 3-[rhamnosyl-(1->6)-[glucosyl-(1->2)]-glucoside],NJXHMMCRCDCKNH-UZTDFSENSA-N
HMDB40943,796.460906884,C42H68O14,[H][C@@]12C(=O)O[C@H](CC=C(C)C)[C@]1(C)O[C@H](O)[C@]1(C)[C@]2([H])CCC2[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)C3CC[C@@]12C,"InChI=1S/C42H68O14/c1-19(2)10-13-26-42(9)27(34(49)54-26)21-11-12-24-39(6)16-15-25(38(4,5)23(39)14-17-40(24,7)41(21,8)37(50)56-42)55-36-33(48)31(46)29(44)22(53-36)18-51-35-32(47)30(45)28(43)20(3)52-35/h10,20-33,35-37,43-48,50H,11-18H2,1-9H3/t20-,21+,22+,23?,24?,25-,26+,27+,28-,29+,30+,31-,32+,33+,35+,36-,37-,39-,40+,41-,42-/m0/s1",DJTBMSMWOCJLIX,CFRPBXSBSA,N,Mabiogenin 3-[rhamnosyl-(1->6)-glucoside],DJTBMSMWOCJLIX-CFRPBXSBSA-N
HMDB40944,348.1572885,C19H24O6,CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(CCC1O)OC2=O,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",JLJLRLWOEMWYQK,UHFFFAOYSA,N,3-Epigibberellin A1,JLJLRLWOEMWYQK-UHFFFAOYSA-N
HMDB40945,1058.566159814,C53H86O21,CC1OC(OC2C(C)OC(OC3C(O)C(COC4OCC(O)C(O)C4O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(O)CC65C)C(O)=O)C4(C)C)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C53H86O21/c1-22-32(56)35(59)38(62)44(69-22)73-41-23(2)70-45(39(63)36(41)60)74-42-34(58)27(21-68-43-37(61)33(57)26(54)20-67-43)71-46(40(42)64)72-31-13-14-50(7)28(49(31,5)6)12-15-51(8)29(50)11-10-24-25-18-48(3,4)16-17-53(25,47(65)66)30(55)19-52(24,51)9/h10,22-23,25-46,54-64H,11-21H2,1-9H3,(H,65,66)",URWTWFXFHITMQC,UHFFFAOYSA,N,Helianthoside A,URWTWFXFHITMQC-UHFFFAOYSA-N
HMDB40946,796.460906884,C42H68O14,CC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CCC3C5C6(C)OC(CC6OC55CC43CO5)C(C)(C)O)C2(C)C)C(O)C(O)C1O,"InChI=1S/C42H68O14/c1-19-27(44)29(46)31(48)34(51-19)54-32-30(47)28(45)21(16-43)52-35(32)53-24-12-13-38(6)22(36(24,2)3)11-14-39(7)23(38)10-9-20-33-40(8)26(15-25(55-40)37(4,5)49)56-42(33)17-41(20,39)18-50-42/h19-35,43-49H,9-18H2,1-8H3",UVECFACYEYHBAX,UHFFFAOYSA,N,Jujubasaponin VI,UVECFACYEYHBAX-UHFFFAOYSA-N
HMDB40947,1208.582597738,C57H92O27,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C57H92O27/c1-21-8-13-57(73-20-21)22(2)34-29(84-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)75-54-49(83-53-45(72)41(68)47(33(19-61)79-53)81-52-43(70)39(66)36(63)31(17-59)77-52)48(37(64)32(18-60)78-54)82-50-44(71)40(67)46(23(3)74-50)80-51-42(69)38(65)35(62)30(16-58)76-51/h6,21-23,25-54,58-72H,7-20H2,1-5H3",FFTWIVOEQHKWJW,UHFFFAOYSA,N,Melongoside M,FFTWIVOEQHKWJW-UHFFFAOYSA-N
HMDB40948,1046.529774308,C51H82O22,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C51H82O22/c1-20-8-13-51(64-19-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)66-48-44(43(35(57)30(17-53)68-48)71-45-39(61)36(58)33(55)22(3)65-45)72-47-41(63)38(60)42(31(18-54)69-47)70-46-40(62)37(59)34(56)29(16-52)67-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3",AENUWGNJANYUDQ,UHFFFAOYSA,N,Melongoside K,AENUWGNJANYUDQ-UHFFFAOYSA-N
HMDB40949,738.41904207,C39H62O13,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3",SOSXYUIKBSZONB,UHFFFAOYSA,N,Melongoside F,SOSXYUIKBSZONB-UHFFFAOYSA-N
HMDB40950,870.461300814,C44H70O17,CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(52)33(50)37(29(16-46)58-40)59-41-36(53)38(32(49)28(15-45)57-41)60-39-34(51)31(48)26(47)18-54-39/h5,19-20,22-41,45-53H,6-18H2,1-4H3",OKFUWWZDPLSBLG,UHFFFAOYSA,N,Capsicoside C3,OKFUWWZDPLSBLG-UHFFFAOYSA-N
HMDB40951,928.503165628,C47H76O18,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-39-36(58)34(56)32(54)26(19-49)62-39)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-37(30(52)24(51)20-60-40)64-38-35(57)33(55)31(53)25(18-48)61-38/h7,23-40,48-58H,8-21H2,1-6H3",KOQPPOSSMNKJPO,UHFFFAOYSA,N,Medicoside F,KOQPPOSSMNKJPO-UHFFFAOYSA-N
HMDB40952,928.503165628,C47H76O18,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-35(57)33(55)31(53)26(19-49)62-40)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-38-36(58)37(24(51)20-60-38)64-39-34(56)32(54)30(52)25(18-48)61-39/h7,23-40,48-58H,8-21H2,1-6H3",OEFVOSBEQLVVEZ,UHFFFAOYSA,N,Medicoside E,OEFVOSBEQLVVEZ-UHFFFAOYSA-N
HMDB40953,390.240624198,C23H34O5,CC\C(C)=C\C(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)OC(C)=O)C1=C,"InChI=1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+",CFUPNMDNSQIWBB,UKTHLTGXSA,N,Tussilagone,CFUPNMDNSQIWBB-UKTHLTGXSA-N
HMDB40954,348.230059512,C21H32O4,CC\C(C)=C\C(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)O)C1=C,"InChI=1S/C21H32O4/c1-7-12(4)8-19(24)25-18-10-15(11(2)3)21-16(13(18)5)9-17(23)20(21)14(6)22/h8,11,14-16,18,20-22H,5,7,9-10H2,1-4,6H3/b12-8+",AIZCSTFUIXPHFD,XYOKQWHBSA,N,9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one,AIZCSTFUIXPHFD-XYOKQWHBSA-N
HMDB40955,376.224974134,C22H32O5,C\C=C(\C)C(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)OC(C)=O)C1=C,"InChI=1S/C22H32O5/c1-8-12(4)22(25)27-19-10-16(11(2)3)21-17(13(19)5)9-18(24)20(21)14(6)26-15(7)23/h8,11,14,16-17,19-21H,5,9-10H2,1-4,6-7H3/b12-8-",ZYTJBCOGBFUTOP,WQLSENKSSA,N,9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate,ZYTJBCOGBFUTOP-WQLSENKSSA-N
HMDB40956,376.224974134,C22H32O5,CC(C)C1CC(OC(=O)C=C(C)C)C(=C)C2CC(=O)C(C(C)OC(C)=O)C12,"InChI=1S/C22H32O5/c1-11(2)8-20(25)27-19-10-16(12(3)4)22-17(13(19)5)9-18(24)21(22)14(6)26-15(7)23/h8,12,14,16-17,19,21-22H,5,9-10H2,1-4,6-7H3",VUQPPZBQPRNJCH,UHFFFAOYSA,N,9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate,VUQPPZBQPRNJCH-UHFFFAOYSA-N
HMDB40957,838.435086064,C43H66O16,COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C43H66O16/c1-38(2)23-10-13-42(6)24(40(23,4)12-11-25(38)57-35-31(50)28(47)29(48)32(58-35)33(51)52)9-8-20-21-18-39(3,36(53)55-7)14-16-43(21,17-15-41(20,42)5)37(54)59-34-30(49)27(46)26(45)22(19-44)56-34/h8,21-32,34-35,44-50H,9-19H2,1-7H3,(H,51,52)",MUEUOXPTUMGVJS,UHFFFAOYSA,N,Talinumoside I,MUEUOXPTUMGVJS-UHFFFAOYSA-N
HMDB40958,1212.57751236,C56H92O28,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C56H92O28/c1-20-7-10-56(74-18-20)21(2)34-29(84-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)75-50-43(71)39(67)46(33(17-60)78-50)81-53-48(47(37(65)31(15-58)77-53)82-49-41(69)35(63)27(62)19-73-49)83-52-44(72)40(68)45(32(16-59)79-52)80-51-42(70)38(66)36(64)30(14-57)76-51/h20-53,57-72H,5-19H2,1-4H3",RZEWAXXMZGDUBB,UHFFFAOYSA,N,Capsicoside E1,RZEWAXXMZGDUBB-UHFFFAOYSA-N
HMDB40959,872.476950878,C44H72O17,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(52)33(50)37(29(16-46)58-40)59-41-36(53)38(32(49)28(15-45)57-41)60-39-34(51)31(48)26(47)18-54-39/h19-41,45-53H,5-18H2,1-4H3",FZHRIKWBCQRSRD,UHFFFAOYSA,N,Capsicoside C2,FZHRIKWBCQRSRD-UHFFFAOYSA-N
HMDB40960,740.434692134,C39H64O13,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h18-36,40-46H,5-17H2,1-4H3",GUSVHVVOABZHAH,UHFFFAOYSA,N,Capsicoside B2,GUSVHVVOABZHAH-UHFFFAOYSA-N
HMDB40961,886.492600942,C45H74O17,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3",GVSGITAPQDRRJB,UHFFFAOYSA,N,Melongoside G,GVSGITAPQDRRJB-UHFFFAOYSA-N
HMDB40962,1210.598247802,C57H94O27,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C57H94O27/c1-21-8-13-57(73-20-21)22(2)34-29(84-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)75-54-49(83-53-45(72)41(68)47(33(19-61)79-53)81-52-43(70)39(66)36(63)31(17-59)77-52)48(37(64)32(18-60)78-54)82-50-44(71)40(67)46(23(3)74-50)80-51-42(69)38(65)35(62)30(16-58)76-51/h21-54,58-72H,6-20H2,1-5H3",QUIDADXDQQWNCN,UHFFFAOYSA,N,Melongoside L,QUIDADXDQQWNCN-UHFFFAOYSA-N
HMDB40963,1058.566159814,C53H86O21,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C53H86O21/c1-22-11-16-53(48(66)74-46-41(65)38(62)35(59)28(20-55)70-46)18-17-51(7)25(32(53)23(22)2)9-10-30-50(6)14-13-31(49(4,5)29(50)12-15-52(30,51)8)71-47-43(73-44-39(63)36(60)33(57)24(3)68-44)42(26(56)21-67-47)72-45-40(64)37(61)34(58)27(19-54)69-45/h9,22-24,26-47,54-65H,10-21H2,1-8H3",ZGNBKNDOCCHRSM,UHFFFAOYSA,N,Matesaponin 2,ZGNBKNDOCCHRSM-UHFFFAOYSA-N
HMDB40964,1074.561074436,C53H86O22,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C53H86O22/c1-22-10-15-53(48(67)75-47-41(65)38(62)35(59)28(72-47)21-69-44-39(63)36(60)33(57)26(18-54)70-44)17-16-51(6)24(32(53)23(22)2)8-9-30-50(5)13-12-31(49(3,4)29(50)11-14-52(30,51)7)73-45-42(66)43(25(56)20-68-45)74-46-40(64)37(61)34(58)27(19-55)71-46/h8,22-23,25-47,54-66H,9-21H2,1-7H3",OOTPRIVIWDPPAS,UHFFFAOYSA,N,Matesaponin 3,OOTPRIVIWDPPAS-UHFFFAOYSA-N
HMDB40965,1220.618983244,C59H96O26,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C59H96O26/c1-23-11-16-59(54(75)85-52-46(74)42(70)38(66)30(81-52)22-77-49-43(71)40(68)36(64)28(19-60)79-49)18-17-57(7)26(34(59)24(23)2)9-10-32-56(6)14-13-33(55(4,5)31(56)12-15-58(32,57)8)82-53-48(84-50-44(72)39(67)35(63)25(3)78-50)47(27(62)21-76-53)83-51-45(73)41(69)37(65)29(20-61)80-51/h9,23-25,27-53,60-74H,10-22H2,1-8H3",KIDKFTVXSGGWRY,UHFFFAOYSA,N,Matesaponin 4,KIDKFTVXSGGWRY-UHFFFAOYSA-N
HMDB40966,110.109550448,C8H14,CCCC\C=C\C=C,"InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7H,1,4,6,8H2,2H3/b7-5+",QTYUSOHYEPOHLV,FNORWQNLSA,N,"1,3-Octadiene",QTYUSOHYEPOHLV-FNORWQNLSA-N
HMDB40967,705.393555601,C34H59NO14,CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCCCC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)",CPCRJSQNWHCGOP,UHFFFAOYSA,N,Fumonisin B3,CPCRJSQNWHCGOP-UHFFFAOYSA-N
HMDB40968,689.398640979,C34H59NO13,CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCCCC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)",WYYKRDVIBOEORL,UHFFFAOYSA,N,Fumonisin B4,WYYKRDVIBOEORL-UHFFFAOYSA-N
HMDB40969,740.216379098,C33H40O19,CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)48-14-7-15(36)18-16(8-14)49-28(12-3-5-13(35)6-4-12)29(22(18)40)51-33-30(25(43)21(39)17(9-34)50-33)52-32-27(45)24(42)20(38)11(2)47-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3",DDELFAUOHDSZJL,UHFFFAOYSA,N,Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside,DDELFAUOHDSZJL-UHFFFAOYSA-N
HMDB40970,564.396730908,C40H52O2,C\C(\C=C\C=C(/C)\C=C/C1C(C)=CC(=O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1C(C)=CC(=O)CC1(C)C,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,37-38H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21-,24-22+,29-15-,30-16+,31-19+,32-20-",IMFOMPZKWQBDLQ,DLYKBUTRSA,N,"(6S,6'S)-epsilon,epsilon-Carotene-3,3'-dione",IMFOMPZKWQBDLQ-DLYKBUTRSA-N
HMDB40971,740.174120354,C39H32O15,OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+",NFSCOXCDAAETPI,IAGONARPSA,N,"3'',6''-Di-O-p-coumaroyltrifolin",NFSCOXCDAAETPI-IAGONARPSA-N
HMDB40972,175.063328537,C10H9NO2,CON1C=C(C=O)C2=CC=CC=C12,"InChI=1S/C10H9NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3",NFGIENSPALNOON,UHFFFAOYSA,N,1-Methoxy-1H-indole-3-carboxaldehyde,NFGIENSPALNOON-UHFFFAOYSA-N
HMDB40973,186.079312952,C11H10N2O,CON1C=C(CC#N)C2=CC=CC=C12,"InChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3",LIJIPBYXIXTNLE,UHFFFAOYSA,N,1-Methoxy-1H-indole-3-acetonitrile,LIJIPBYXIXTNLE-UHFFFAOYSA-N
HMDB40974,313.131408101,C18H19NO4,COC1=C(O)C=C2CC3NCCC4=CC(O)=C(OC)C(C2=C1)=C34,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",KYVJVURXKAZJRK,UHFFFAOYSA,N,Laurolitsine,KYVJVURXKAZJRK-UHFFFAOYSA-N
HMDB40975,740.195249726,C36H36O17,CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+",KAJMZANRKFVVKV,NYYWCZLTSA,N,Kaempferol 3-[6'''-p-coumarylglucosyl-(1->2)-rhamnoside],KAJMZANRKFVVKV-NYYWCZLTSA-N
HMDB40976,456.360345402,C30H48O3,CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C,"InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+",UILQHUKSFUOOLH,KEBDBYFISA,N,3-Epimasticadienolic acid,UILQHUKSFUOOLH-KEBDBYFISA-N
HMDB40977,220.067033706,C11H12N2OS,CSC(=O)NCC1=CNC2=C1C=CC=C2,"InChI=1S/C11H12N2OS/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)",GHGDPZHQDKPWOJ,UHFFFAOYSA,N,Brassitin,GHGDPZHQDKPWOJ-UHFFFAOYSA-N
HMDB40978,451.235873171,C27H33NO5,CC(C)(O)C1OC2(O)CCC3(C)C4(C)C(CC5=C4NC4=C5C=CC=C4)CCC3(O)C2=CC1=O,"InChI=1S/C27H33NO5/c1-23(2,30)22-19(29)14-20-26(31)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,32)33-22/h5-8,14-15,22,28,30-32H,9-13H2,1-4H3",ROIDNUNHRGMTMG,UHFFFAOYSA,N,14alpha-Hydroxypaxilline,ROIDNUNHRGMTMG-UHFFFAOYSA-N
HMDB40979,435.240958549,C27H33NO4,CC(C)(O)C1OC2(O)CCC3(C)C(CCC4CC5=C(NC6=CC=CC=C56)C34C)C2=CC1=O,"InChI=1S/C27H33NO4/c1-24(2,30)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,31)32-23/h5-8,14-15,18,23,28,30-31H,9-13H2,1-4H3",JFVYPWSFDLYZKB,UHFFFAOYSA,N,14alpha-Hydroxy-4beta-deoxypaxilline,JFVYPWSFDLYZKB-UHFFFAOYSA-N
HMDB40980,310.178023942,C17H26O5,CC(C)CC(=O)OC1OC=C(COC(C)=O)C2CCC(C)C12,"InChI=1S/C17H26O5/c1-10(2)7-15(19)22-17-16-11(3)5-6-14(16)13(9-21-17)8-20-12(4)18/h9-11,14,16-17H,5-8H2,1-4H3",XXZPXRQPWFAXCK,UHFFFAOYSA,N,Valdiate,XXZPXRQPWFAXCK-UHFFFAOYSA-N
HMDB40981,232.146329884,C15H20O2,CC(C)C1CC(=O)C(C)C2=CC(O)=C(C)C=C12,"InChI=1S/C15H20O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5,7-8,10-11,16H,6H2,1-4H3",QPXQUILITXIQFA,UHFFFAOYSA,N,"(7b,10a)-3-Hydroxy-1,3,5-cadinatrien-9-one",QPXQUILITXIQFA-UHFFFAOYSA-N
HMDB40982,314.318480588,C20H42O2,OCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C20H42O2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h21-22H,1-20H2",PGMMMHFNKZSYEP,UHFFFAOYSA,N,"1,20-Eicosanediol",PGMMMHFNKZSYEP-UHFFFAOYSA-N
HMDB40983,272.271530396,C17H36O2,OCCCCCCCCCCCCCCCCCO,"InChI=1S/C17H36O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h18-19H,1-17H2",WNZVVHVYAKZZBU,UHFFFAOYSA,N,"1,17-Heptadecanediol",WNZVVHVYAKZZBU-UHFFFAOYSA-N
HMDB40984,504.169034976,C18H32O16,OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C18H32O16/c19-1-4-8(23)11(26)14(16(29)30-4)33-18-15(12(27)9(24)6(3-21)32-18)34-17-13(28)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2",UQBIAGWOJDEOMN,UHFFFAOYSA,N,Sophorotriose,UQBIAGWOJDEOMN-UHFFFAOYSA-N
HMDB40985,324.105391966,C10H28Cl2N2OP2,[Cl-].[Cl-].C[N+](C)(CCP)CC[N+](C)(C)CCOP,"InChI=1S/C10H28N2OP2.2ClH/c1-11(2,7-9-13-15)5-6-12(3,4)8-10-14;;/h5-10,14-15H2,1-4H3;2*1H/q+2;;/p-2",MYYHRFFZGSQEIT,UHFFFAOYSA,L,Polixetonium chloride,MYYHRFFZGSQEIT-UHFFFAOYSA-L
HMDB40986,148.0524295,C9H8O2,OC1=CC=C(\C=C\C=O)C=C1,"InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+",CJXMVKYNVIGQBS,OWOJBTEDSA,N,(E)-3-(4-Hydroxyphenyl)-2-propenal,CJXMVKYNVIGQBS-OWOJBTEDSA-N
HMDB40987,285.136493479,C17H19NO3,CN1CCC23C4OC5=C(O)C=CC(CC1C2C=CC4O)=C35,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3",BQJCRHHNABKAKU,UHFFFAOYSA,N,(-)-Morphine,BQJCRHHNABKAKU-UHFFFAOYSA-N
HMDB40988,238.095356946,C11H14N2O4,CCCOC1=C(NC(C)=O)C=C(C=C1)N(=O)=O,"InChI=1S/C11H14N2O4/c1-3-6-17-11-5-4-9(13(15)16)7-10(11)12-8(2)14/h4-5,7H,3,6H2,1-2H3,(H,12,14)",OPTZOXDYEFIPJZ,UHFFFAOYSA,N,Falimint,OPTZOXDYEFIPJZ-UHFFFAOYSA-N
HMDB40989,348.193674006,C20H28O5,C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C,"InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-16-11(3)19(23)24-15(16)9-13-7-8-14(21)12(4)20(13,17)5/h6,12-15,17,21H,7-9H2,1-5H3/b10-6+",VHVVIDFLXPOQAK,UXBLZVDNSA,N,"3b-Hydroxy-6b-tigloyloxy-7(11)-eremophilen-12,8b-olide",VHVVIDFLXPOQAK-UXBLZVDNSA-N
HMDB40990,430.23553882,C25H34O6,C\C=C(\C)C(=O)OC1CCC2CC3OC(=O)C(C)=C3C(OC(=O)C(\C)=C/C)C2(C)C1C,"InChI=1S/C25H34O6/c1-8-13(3)22(26)29-18-11-10-17-12-19-20(15(5)24(28)30-19)21(25(17,7)16(18)6)31-23(27)14(4)9-2/h8-9,16-19,21H,10-12H2,1-7H3/b13-8-,14-9-",GNUFDZISEWLEOG,QKPPEBSVSA,N,"3b,6b-Diangeloyloxy-7(11)-eremophilen-12,8b-olide",GNUFDZISEWLEOG-QKPPEBSVSA-N
HMDB40991,737.505112155,C37H67N7O8,CCC(C)C1NC(=O)C(NC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C)N(C)C1=O)C(O)C(C)C,"InChI=1S/C37H67N7O8/c1-16-22(8)28-37(52)43(14)25(11)35(50)44(15)27(18-20(4)5)32(47)38-26(17-19(2)3)36(51)42(13)24(10)34(49)41(12)23(9)31(46)40-29(33(48)39-28)30(45)21(6)7/h19-30,45H,16-18H2,1-15H3,(H,38,47)(H,39,48)(H,40,46)",ZMFVAIFXJWEOMH,UHFFFAOYSA,N,Ternatin,ZMFVAIFXJWEOMH-UHFFFAOYSA-N
HMDB40992,333.209264491,C23H27NO,CC(C)=CCC\C(C)=C/CC1=C2NC3=CC=CC=C3C2=CC(C)=C1O,"InChI=1S/C23H27NO/c1-15(2)8-7-9-16(3)12-13-19-22-20(14-17(4)23(19)25)18-10-5-6-11-21(18)24-22/h5-6,8,10-12,14,24-25H,7,9,13H2,1-4H3/b16-12-",JSSIAXXILAGJKE,VBKFSLOCSA,N,Mahanimbinol,JSSIAXXILAGJKE-VBKFSLOCSA-N
HMDB40993,448.282489012,C26H40O6,CCC(C)C(=O)OC1C2C(C(C(C)O)C1=O)C(CC(OC(=O)\C=C(/C)CC)C2=C)C(C)C,"InChI=1S/C26H40O6/c1-9-14(5)11-20(28)31-19-12-18(13(3)4)23-21(16(19)7)25(24(29)22(23)17(8)27)32-26(30)15(6)10-2/h11,13,15,17-19,21-23,25,27H,7,9-10,12H2,1-6,8H3/b14-11+",YTOWGNDHXAGFBR,SDNWHVSQSA,N,"(ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate)",YTOWGNDHXAGFBR-SDNWHVSQSA-N
HMDB40994,430.271924326,C26H38O5,CCC(C)C(=O)OC1C2C(C(CC(OC(=O)\C=C(/C)CC)C2=C)C(C)C)\C(=C\C)C1=O,"InChI=1S/C26H38O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h11-12,14,16,19-20,22-23,25H,8-10,13H2,1-7H3/b15-12+,18-11-",XTQQLVJPORCMAK,XIMUYODMSA,N,"2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one",XTQQLVJPORCMAK-XIMUYODMSA-N
HMDB40995,470.33960996,C30H46O4,CC(=C)C1CC=C2C(CCC3(C)C4CC(C)(CCC4(C)CCC23C)C(O)=O)C1(C)CCC(O)=O,"InChI=1S/C30H46O4/c1-19(2)20-8-9-22-21(28(20,5)12-11-24(31)32)10-13-30(7)23-18-27(4,25(33)34)15-14-26(23,3)16-17-29(22,30)6/h9,20-21,23H,1,8,10-18H2,2-7H3,(H,31,32)(H,33,34)",NTFLZJIEKFOVHF,UHFFFAOYSA,N,Secoisobryononic acid,NTFLZJIEKFOVHF-UHFFFAOYSA-N
HMDB40996,470.33960996,C30H46O4,CC(=C)C1CCC2=C(CCC3(C)C4CC(C)(CCC4(C)CCC23C)C(O)=O)C1(C)CCC(O)=O,"InChI=1S/C30H46O4/c1-19(2)20-8-9-22-21(28(20,5)12-11-24(31)32)10-13-30(7)23-18-27(4,25(33)34)15-14-26(23,3)16-17-29(22,30)6/h20,23H,1,8-18H2,2-7H3,(H,31,32)(H,33,34)",GVBMRRFNKPJHKN,UHFFFAOYSA,N,Secobryononic acid,GVBMRRFNKPJHKN-UHFFFAOYSA-N
HMDB40997,240.20893014,C15H28O2,CCC1CC(CC(C)CCCC(C)C)OC1=O,"InChI=1S/C15H28O2/c1-5-13-10-14(17-15(13)16)9-12(4)8-6-7-11(2)3/h11-14H,5-10H2,1-4H3",ULLOYADYWAAQIV,UHFFFAOYSA,N,"15,5-Farnesanolide",ULLOYADYWAAQIV-UHFFFAOYSA-N
HMDB40998,242.224580204,C15H30O2,CCC(C)CCCC(=C)CC(O)CC(C)CO,"InChI=1S/C15H30O2/c1-5-12(2)7-6-8-13(3)9-15(17)10-14(4)11-16/h12,14-17H,3,5-11H2,1-2,4H3",VBYQXYSSKALZIL,UHFFFAOYSA,N,"7(14)-Farnesene-9,12-diol",VBYQXYSSKALZIL-UHFFFAOYSA-N
HMDB40999,446.33960996,C28H46O4,CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC5OC5CC4(C)C3CCC12C,"InChI=1S/C28H46O4/c1-14(2)15(3)25(30)26(31)16(4)18-7-8-19-17-11-22(29)21-12-23-24(32-23)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-31H,7-13H2,1-6H3",WDGGOKUICSKRHH,UHFFFAOYSA,N,Secasterone,WDGGOKUICSKRHH-UHFFFAOYSA-N
HMDB41000,166.099379692,C10H14O2,CC1(C)C2CCC(=C)C1C(=O)O2,"InChI=1S/C10H14O2/c1-6-4-5-7-10(2,3)8(6)9(11)12-7/h7-8H,1,4-5H2,2-3H3",LASOZNWHPDFLML,UHFFFAOYSA,N,Karahana lactone,LASOZNWHPDFLML-UHFFFAOYSA-N
HMDB41001,346.250794954,C22H34O3,COC12CCC3(C)C(CCC3C1=CC(=O)O2)C(C)\C=C\C(C)C(C)C,"InChI=1S/C22H34O3/c1-14(2)15(3)7-8-16(4)17-9-10-18-19-13-20(23)25-22(19,24-6)12-11-21(17,18)5/h7-8,13-18H,9-12H2,1-6H3/b8-7+",FCFUSYHGZLEMJM,BQYQJAHWSA,N,Volemolide,FCFUSYHGZLEMJM-BQYQJAHWSA-N
HMDB41002,378.167853186,C20H26O7,CCC(C)C(=O)OC1CC(C)(O)\C=C/C(=O)/C(CO)=C\C2OC(=O)C(=C)C12,"InChI=1S/C20H26O7/c1-5-11(2)18(23)27-16-9-20(4,25)7-6-14(22)13(10-21)8-15-17(16)12(3)19(24)26-15/h6-8,11,15-17,21,25H,3,5,9-10H2,1-2,4H3/b7-6-,13-8-",CUICTWWBLRZLES,DGOUITMESA,N,"(1E,4Z,6a,8b,10a)-8-(2-Methylbutanoyloxy)-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide",CUICTWWBLRZLES-DGOUITMESA-N
HMDB41003,280.13107375,C15H20O5,CC12CCC(O)OC1C1OC(=O)C(=C)C1CCC(=O)C2,"InChI=1S/C15H20O5/c1-8-10-4-3-9(16)7-15(2)6-5-11(17)19-13(15)12(10)20-14(8)18/h10-13,17H,1,3-7H2,2H3",LBKCMFUBEOROEX,UHFFFAOYSA,N,Vulgarolide,LBKCMFUBEOROEX-UHFFFAOYSA-N
HMDB41004,440.459331164,C29H60O2,CCCCCCCCCCCC(O)CCCCCCCCCCCCCCCCCO,"InChI=1S/C29H60O2/c1-2-3-4-5-6-14-17-20-23-26-29(31)27-24-21-18-15-12-10-8-7-9-11-13-16-19-22-25-28-30/h29-31H,2-28H2,1H3",BCSKSPASEHRYJF,UHFFFAOYSA,N,"(+)-1,18-Nonacosanediol",BCSKSPASEHRYJF-UHFFFAOYSA-N
HMDB41005,234.089208936,C13H14O4,CC(=O)OC(C=C)C1=CC=C(OC(C)=O)C=C1,"InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3",JAMQIUWGGBSIKZ,UHFFFAOYSA,N,1'-Acetoxychavicol acetate,JAMQIUWGGBSIKZ-UHFFFAOYSA-N
HMDB41006,234.089208936,C13H14O4,CC(=O)O[C@@H](C=C)C1=CC=C(OC(C)=O)C=C1,"InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1",JAMQIUWGGBSIKZ,ZDUSSCGKSA,N,1'-Acetoxychavicol,JAMQIUWGGBSIKZ-ZDUSSCGKSA-N
HMDB41007,192.07864425,C11H12O3,CC(=O)OC1=CC=C(C=C1)C(O)C=C,"InChI=1S/C11H12O3/c1-3-11(13)9-4-6-10(7-5-9)14-8(2)12/h3-7,11,13H,1H2,2H3",GKYVDAMMLMMJGZ,UHFFFAOYSA,N,1'-Hydroxychavicol acetate,GKYVDAMMLMMJGZ-UHFFFAOYSA-N
HMDB41008,224.106196404,C13H12N4,CN1C(N)=NC2=NC=C(C=C12)C1=CC=CC=C1,"InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)",UQVKZNNCIHJZLS,UHFFFAOYSA,N,"1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine",UQVKZNNCIHJZLS-UHFFFAOYSA-N
HMDB41009,160.0524295,C10H8O2,CC1=C2OC(C=O)=CC2=CC=C1,"InChI=1S/C10H8O2/c1-7-3-2-4-8-5-9(6-11)12-10(7)8/h2-6H,1H3",JXPVJVSXZDJGIZ,UHFFFAOYSA,N,7-Methyl-2-benzofurancarboxaldehyde,JXPVJVSXZDJGIZ-UHFFFAOYSA-N
HMDB41010,104.065971074,C5H12S,CCCC(C)S,"InChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",QUSTYFNPKBDELJ,UHFFFAOYSA,N,(±)-2-Pentanethiol,QUSTYFNPKBDELJ-UHFFFAOYSA-N
HMDB41011,152.120115134,C10H16O,CC1=C(C=O)C(C)(C)CCC1,"InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3",MOQGCGNUWBPGTQ,UHFFFAOYSA,N,beta-Cyclocitral,MOQGCGNUWBPGTQ-UHFFFAOYSA-N
HMDB41012,170.13067982,C10H18O2,CCC\C=C\CCCCC(O)=O,"InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5H,2-3,6-9H2,1H3,(H,11,12)/b5-4+",IZOFWCYKCWUJBY,SNAWJCMRSA,N,6-Decenoic acid,IZOFWCYKCWUJBY-SNAWJCMRSA-N
HMDB41013,152.120115134,C10H16O,CC1CC(C)=CC(C)C1C=O,"InChI=1S/C10H16O/c1-7-4-8(2)10(6-11)9(3)5-7/h4,6,8-10H,5H2,1-3H3",YJSUCBQWLKRPDL,UHFFFAOYSA,N,Isocyclocitral,YJSUCBQWLKRPDL-UHFFFAOYSA-N
HMDB41014,154.135765198,C10H18O,CCCCC\C=C/CCC=O,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6-",CWRKZMLUDFBPAO,SREVYHEPSA,N,4-Decenal,CWRKZMLUDFBPAO-SREVYHEPSA-N
HMDB41015,104.029585568,C4H8OS,CC(=O)CCS,"InChI=1S/C4H8OS/c1-4(5)2-3-6/h6H,2-3H2,1H3",LBFXPJUFQGXMJY,UHFFFAOYSA,N,4-Mercapto-2-butanone,LBFXPJUFQGXMJY-UHFFFAOYSA-N
HMDB41016,244.073558872,C14H12O4,COC1=C(O)C(OC)=C2OC3=CC=CC=C3C2=C1,"InChI=1S/C14H12O4/c1-16-11-7-9-8-5-3-4-6-10(8)18-13(9)14(17-2)12(11)15/h3-7,15H,1-2H3",IPAVEOUAXMIIKX,UHFFFAOYSA,N,Eriobofuran,IPAVEOUAXMIIKX-UHFFFAOYSA-N
HMDB41017,778.450342198,C42H66O13,COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(O)=O)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O,"InChI=1S/C42H66O13/c1-37(2)15-17-42(36(49)50)18-16-40(6)21(22(42)19-37)9-10-25-39(5)13-12-26(38(3,4)24(39)11-14-41(25,40)7)53-35-30(47)31(29(46)32(55-35)33(48)51-8)54-34-28(45)27(44)23(43)20-52-34/h9,22-32,34-35,43-47H,10-20H2,1-8H3,(H,49,50)",YLACYPLYIMKUHI,UHFFFAOYSA,N,Momordin Ia,YLACYPLYIMKUHI-UHFFFAOYSA-N
HMDB41018,808.460906884,C43H68O14,COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(O)=O)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,"InChI=1S/C43H68O14/c1-38(2)15-17-43(37(51)52)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-31(49)32(30(48)33(57-36)34(50)53-8)56-35-29(47)28(46)27(45)23(20-44)54-35/h9,22-33,35-36,44-49H,10-20H2,1-8H3,(H,51,52)",LZWQMJKDWBMYDJ,UHFFFAOYSA,N,Calenduloside G methyl ester,LZWQMJKDWBMYDJ-UHFFFAOYSA-N
HMDB41019,940.503165628,C48H76O18,COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O,"InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-33(55)31(53)30(52)25(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)36(34(56)37(65-41)38(58)60-8)64-39-32(54)29(51)24(50)21-61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3",JYARCYFXDPRTFI,UHFFFAOYSA,N,Momordin IIa,JYARCYFXDPRTFI-UHFFFAOYSA-N
HMDB41020,896.476950878,C46H72O17,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C46H72O17/c1-41(2)14-16-46(40(56)57)17-15-44(6)21(22(46)18-41)8-9-26-43(5)12-11-27(42(3,4)25(43)10-13-45(26,44)7)60-39-35(63-38-31(52)29(50)24(48)20-59-38)33(32(53)34(62-39)36(54)55)61-37-30(51)28(49)23(47)19-58-37/h8,22-35,37-39,47-53H,9-20H2,1-7H3,(H,54,55)(H,56,57)",XQGKHFSVPNPHAB,UHFFFAOYSA,N,Momordin Ie,XQGKHFSVPNPHAB-UHFFFAOYSA-N
HMDB41021,970.513730314,C49H78O19,COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,"InChI=1S/C49H78O19/c1-44(2)15-17-49(43(61)68-41-34(57)32(55)30(53)25(21-51)64-41)18-16-47(6)22(23(49)19-44)9-10-27-46(5)13-12-28(45(3,4)26(46)11-14-48(27,47)7)65-42-36(59)37(35(58)38(67-42)39(60)62-8)66-40-33(56)31(54)29(52)24(20-50)63-40/h9,23-38,40-42,50-59H,10-21H2,1-8H3",FBNHNCMZFHURCE,UHFFFAOYSA,N,Calenduloside H methyl ester,FBNHNCMZFHURCE-UHFFFAOYSA-N
HMDB41022,1058.529774308,C52H82O22,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C52H82O22/c1-47(2)14-16-52(46(66)74-44-36(62)33(59)32(58)26(19-53)69-44)17-15-50(6)22(23(52)18-47)8-9-28-49(5)12-11-29(48(3,4)27(49)10-13-51(28,50)7)70-45-40(73-43-35(61)31(57)25(55)21-68-43)38(37(63)39(72-45)41(64)65)71-42-34(60)30(56)24(54)20-67-42/h8,23-40,42-45,53-63H,9-21H2,1-7H3,(H,64,65)",JGWOUOSRJOOXAL,UHFFFAOYSA,N,Hemsloside Ma 2,JGWOUOSRJOOXAL-UHFFFAOYSA-N
HMDB41023,534.501195978,C35H66O3,CCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H66O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-34(36)30-27-24-21-18-15-14-16-19-22-25-28-33-31-32(2)38-35(33)37/h31-32,34,36H,3-30H2,1-2H3",IWBHCLOBTQKEFG,UHFFFAOYSA,N,Reticulatamol,IWBHCLOBTQKEFG-UHFFFAOYSA-N
HMDB41024,316.115817616,C14H20O8,OCC1OC(OCCC2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2",PQQITYGQJLPDFC,UHFFFAOYSA,N,Hydroxytyrosol 1-O-glucoside,PQQITYGQJLPDFC-UHFFFAOYSA-N
HMDB41025,624.205420482,C29H36O15,CC1OC(OC2C(O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)OC(OCCC3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O,"InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+",FNMHEHXNBNCPCI,QPJJXVBHSA,N,Isoacteoside,FNMHEHXNBNCPCI-QPJJXVBHSA-N
HMDB41026,186.05282343,C8H10O5,CC(O)C12OC1OC(CO)=CC2=O,"InChI=1S/C8H10O5/c1-4(10)8-6(11)2-5(3-9)12-7(8)13-8/h2,4,7,9-10H,3H2,1H3",ZXCJKDVKXCEBEI,UHFFFAOYSA,N,Erinapyrone C,ZXCJKDVKXCEBEI-UHFFFAOYSA-N
HMDB41027,544.34000389,C32H48O7,CC(C(CC1OC(=O)C(C)=C1)OC(C)=O)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C11COC(=O)C1,"InChI=1S/C32H48O7/c1-18-14-21(39-28(18)36)15-23(38-20(3)33)19(2)22-8-9-25-30(6)12-11-26(34)29(4,5)24(30)10-13-31(25,7)32(22)16-27(35)37-17-32/h14,19,21-26,34H,8-13,15-17H2,1-7H3",CMKWUYXJKXGQMH,UHFFFAOYSA,N,Hovenidulcigenin A,CMKWUYXJKXGQMH-UHFFFAOYSA-N
HMDB41028,852.450736128,C44H68O16,CC(C(CC1OC(=O)C(C)=C1)OC(C)=O)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1,"InChI=1S/C44H68O16/c1-20-15-24(57-38(20)53)16-26(56-23(4)46)21(2)25-9-10-29-42(7)13-12-30(41(5,6)28(42)11-14-43(29,8)44(25)17-31(47)54-19-44)59-40-37(35(51)33(49)27(18-45)58-40)60-39-36(52)34(50)32(48)22(3)55-39/h15,21-22,24-30,32-37,39-40,45,48-52H,9-14,16-19H2,1-8H3",ODNHLYCLMUNJRG,UHFFFAOYSA,N,Hovenidulcioside A1,ODNHLYCLMUNJRG-UHFFFAOYSA-N
HMDB41029,706.39282732,C38H58O12,CC(C(CC1OC(=O)C(C)=C1)OC(C)=O)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1,"InChI=1S/C38H58O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h14,20,22-28,30-32,34,39,42-44H,8-13,15-18H2,1-7H3",QYJNHCJKVKCJTN,UHFFFAOYSA,N,Hovenidulcioside A2,QYJNHCJKVKCJTN-UHFFFAOYSA-N
HMDB41030,942.518815692,C48H78O18,CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(C)(O)C(CC=C(C)C)OC66CC54CO6)C3(C)C)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C48H78O18/c1-21(2)9-12-29-46(8,58)39-23-10-11-27-44(6)15-14-28(43(4,5)26(44)13-16-45(27,7)47(23)19-48(39,66-29)59-20-47)63-42-38(65-40-35(56)33(54)30(51)22(3)60-40)37(32(53)25(18-50)62-42)64-41-36(57)34(55)31(52)24(17-49)61-41/h9,22-42,49-58H,10-20H2,1-8H3",WBZFXTIEMCPGMN,UHFFFAOYSA,N,Jujubasaponin IV,WBZFXTIEMCPGMN-UHFFFAOYSA-N
HMDB41031,204.063388116,C8H12O6,COC1=C(O)CC(O)(CO)C(O)C1=O,"InChI=1S/C8H12O6/c1-14-6-4(10)2-8(13,3-9)7(12)5(6)11/h7,9-10,12-13H,2-3H2,1H3",OPIUUJWCOWMEJN,UHFFFAOYSA,N,"3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one",OPIUUJWCOWMEJN-UHFFFAOYSA-N
HMDB41032,524.516846042,C34H68O3,CCCCCCCCC(C)CC\C=C\CCCCCCCCCC(O)CC(O)CCCCCCCCO,"InChI=1S/C34H68O3/c1-3-4-5-6-16-21-26-32(2)27-22-17-12-10-8-7-9-11-13-18-23-28-33(36)31-34(37)29-24-19-14-15-20-25-30-35/h12,17,32-37H,3-11,13-16,18-31H2,1-2H3/b17-12+",BOYBJOZTRHQFNM,SFQUDFHCSA,N,"25-Methyl-21-tritriacontene-1,9,11-triol",BOYBJOZTRHQFNM-SFQUDFHCSA-N
HMDB41033,504.527016798,C35H68O,CCCCCCCCCCCCCCCCCCCCCCCCC(O)CC\C=C\CCCCC=C,"InChI=1S/C35H68O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-35(36)33-31-29-27-12-10-8-6-4-2/h4,27,29,35-36H,2-3,5-26,28,30-34H2,1H3/b29-27+",MUCYVLDLUUTKSG,ORIPQNMZSA,N,"1,7-Pentatriacontadien-11-ol",MUCYVLDLUUTKSG-ORIPQNMZSA-N
HMDB41034,154.135765198,C10H18O,CC\C=C\C\C=C/CCCO,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-7,11H,2,5,8-10H2,1H3/b4-3+,7-6-",NKODDQZVUPANMP,FDTUMDBZSA,N,"(4Z,7Z)-4,7-Decadien-1-ol",NKODDQZVUPANMP-FDTUMDBZSA-N
HMDB41035,596.465204402,C35H64O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3",DGQPZGGOYKKJLX,UHFFFAOYSA,N,Isoannonacin A,DGQPZGGOYKKJLX-UHFFFAOYSA-N
HMDB41036,234.161979948,C15H22O2,CC1CCC2C(O)C3=C(C)C(=O)CC13C2(C)C,"InChI=1S/C15H22O2/c1-8-5-6-10-13(17)12-9(2)11(16)7-15(8,12)14(10,3)4/h8,10,13,17H,5-7H2,1-4H3",BOBZQUWDNGGBHD,UHFFFAOYSA,N,Sugeonol,BOBZQUWDNGGBHD-UHFFFAOYSA-N
HMDB41037,298.097186803,C15H19ClO4,CC1C2C(CC1=O)C(=C)CCC1C2OC(=O)C1(O)CCl,"InChI=1S/C15H19ClO4/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,19H,1,3-6H2,2H3",RXUIKPFKVDKIDO,UHFFFAOYSA,N,8-Deoxy-11-hydroxy-13-chlorogrosheimin,RXUIKPFKVDKIDO-UHFFFAOYSA-N
HMDB41038,232.146329884,C15H20O2,CC1(C)CC2C1CC=C(C=O)C1C(=O)CC21C,"InChI=1S/C15H20O2/c1-14(2)6-11-10(14)5-4-9(8-16)13-12(17)7-15(11,13)3/h4,8,10-11,13H,5-7H2,1-3H3",HMBNCKSBZMIUGA,UHFFFAOYSA,N,Collybial,HMBNCKSBZMIUGA-UHFFFAOYSA-N
HMDB41039,488.350174646,C30H48O5,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O,"InChI=1S/C30H48O5/c1-25(2)15-19-18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-29(21,6)28(18,5)13-14-30(19,24(34)35)16-23(25)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)",SQDDCZCCYJZMCV,UHFFFAOYSA,N,21beta-Hydroxyhederagenin,SQDDCZCCYJZMCV-UHFFFAOYSA-N
HMDB41040,650.402998076,C36H58O10,CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O,"InChI=1S/C36H58O10/c1-31(2)15-20-19-7-8-23-32(3)11-10-25(46-29-28(42)27(41)26(40)21(17-37)45-29)33(4,18-38)22(32)9-12-35(23,6)34(19,5)13-14-36(20,30(43)44)16-24(31)39/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)",JAJHTUPNVRLALX,UHFFFAOYSA,N,Lucyoside N,JAJHTUPNVRLALX-UHFFFAOYSA-N
HMDB41041,486.334524582,C30H46O5,CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O,"InChI=1S/C30H46O5/c1-25(2)15-19-18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-29(21,6)28(18,5)13-14-30(19,24(34)35)16-23(25)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)",MFGKQCGZFKURGT,UHFFFAOYSA,N,Lucyin A,MFGKQCGZFKURGT-UHFFFAOYSA-N
HMDB41042,1082.529774308,C54H82O22,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC6CC(=O)C(O)=C(C)O6)C5(CCC43C)C=O)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C54H82O22/c1-23-34(59)27(58)17-33(69-23)72-32-19-49(3,4)18-26-25-9-10-30-50(5)13-12-31(51(6,21-56)29(50)11-14-53(30,8)52(25,7)15-16-54(26,32)22-57)73-48-44(40(65)39(64)42(74-48)45(67)68)76-47-43(38(63)36(61)28(20-55)71-47)75-46-41(66)37(62)35(60)24(2)70-46/h9,22,24,26,28-33,35-44,46-48,55-56,59-66H,10-21H2,1-8H3,(H,67,68)",HTYROAGMQCIQGD,UHFFFAOYSA,N,Lablabsaponin I,HTYROAGMQCIQGD-UHFFFAOYSA-N
HMDB41043,472.355260024,C30H48O4,CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1C,"InChI=1S/C30H48O4/c1-17-10-12-26(3)14-15-28(5)19(23(26)18(17)2)8-9-21-27(4)16-20(31)24(32)30(7,25(33)34)22(27)11-13-29(21,28)6/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CAQINDLNYJDVHH,UHFFFAOYSA,N,3alpha-Corosolic acid,CAQINDLNYJDVHH-UHFFFAOYSA-N
HMDB41044,356.219888756,C19H32O6,CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C19H32O6/c1-11-6-5-9-19(3,4)13(11)8-7-12(2)24-18-17(23)16(22)15(21)14(10-20)25-18/h7-8,12,14-18,20-23H,5-6,9-10H2,1-4H3/b8-7+",JGUNLOSHGIQYCT,BQYQJAHWSA,N,"5,7-Megastigmadien-9-ol glucoside",JGUNLOSHGIQYCT-BQYQJAHWSA-N
HMDB41045,458.170745675,C22H31ClO8,CC(C)CC(=O)OC1C=C2C(C(OC(=O)CC(C)C)OC=C2COC(C)=O)C1(O)CCl,"InChI=1S/C22H31ClO8/c1-12(2)6-18(25)30-17-8-16-15(9-28-14(5)24)10-29-21(20(16)22(17,27)11-23)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,27H,6-7,9,11H2,1-5H3",HHVCVAIASNFMBE,UHFFFAOYSA,N,Valechlorin,HHVCVAIASNFMBE-UHFFFAOYSA-N
HMDB41046,355.141972787,C20H21NO5,COC1=C(CC(O)C(C)=C)C2=C(C(O)=C1)C(=O)C1=C(N2C)C(O)=CC=C1,"InChI=1S/C20H21NO5/c1-10(2)14(23)8-12-16(26-4)9-15(24)17-19(12)21(3)18-11(20(17)25)6-5-7-13(18)22/h5-7,9,14,22-24H,1,8H2,2-4H3",DBEWENVYSYATOB,UHFFFAOYSA,N,Marshmine,DBEWENVYSYATOB-UHFFFAOYSA-N
HMDB41047,510.26175357,C30H38O7,CC(C1CC(C)=C(C)C(=O)O1)C1=CC(OC(C)=O)C2(O)C3CC4OC44CC=CC(=O)C4(C)C3CCC12C,"InChI=1S/C30H38O7/c1-15-12-22(36-26(33)16(15)2)17(3)20-13-25(35-18(4)31)30(34)21-14-24-29(37-24)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,13,17,19,21-22,24-25,34H,9-12,14H2,1-6H3",GPTVOZHQPZXWDW,UHFFFAOYSA,N,Physagulin A,GPTVOZHQPZXWDW-UHFFFAOYSA-N
HMDB41048,546.238431309,C30H39ClO7,CC(C1CC(C)=C(C)C(=O)O1)C1=CC(OC(C)=O)C2(O)C3CC(O)C4(Cl)CC=CC(=O)C4(C)C3CCC12C,"InChI=1S/C30H39ClO7/c1-15-12-22(38-26(35)16(15)2)17(3)20-14-25(37-18(4)32)30(36)21-13-24(34)29(31)10-7-8-23(33)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,34,36H,9-13H2,1-6H3",YTYRPIHQJLEEEG,UHFFFAOYSA,N,Physagulin B,YTYRPIHQJLEEEG-UHFFFAOYSA-N
HMDB41049,620.356047884,C34H52O10,CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CC(C)=C(CO)C(=O)O1,"InChI=1S/C34H52O10/c1-16-11-25(43-31(41)21(16)14-35)17(2)22-7-8-23-20-6-5-18-12-19(42-32-30(40)29(39)28(38)26(15-36)44-32)13-27(37)34(18,4)24(20)9-10-33(22,23)3/h5,17,19-20,22-30,32,35-40H,6-15H2,1-4H3",KRHHFPJGGBLAAH,UHFFFAOYSA,N,Physagulin D,KRHHFPJGGBLAAH-UHFFFAOYSA-N
HMDB41050,394.323565966,C28H42O,CC(C)C(C)\C=C\C(C)C1CCC2=C3C=CC4=CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,22,24,26,29H,11-16H2,1-6H3/b8-7+",SHHHPKBCWIDXJY,BQYQJAHWSA,N,"(3beta,22E,24R)-Ergosta-4,6,8(14),22-tetraen-3-ol",SHHHPKBCWIDXJY-BQYQJAHWSA-N
HMDB41051,888.4718655,C44H72O18,CC(CCC1(O)OC2CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C44H72O18/c1-18(16-56-39-36(53)35(52)33(50)28(15-45)59-39)8-11-44(55)19(2)30-27(62-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)60-41-38(32(49)26(47)17-57-41)61-40-37(54)34(51)31(48)20(3)58-40/h6,18-20,22-41,45-55H,7-17H2,1-5H3",HWYCRLFVQVFKPD,UHFFFAOYSA,N,Alliofuroside A,HWYCRLFVQVFKPD-UHFFFAOYSA-N
HMDB41052,281.021405421,C9H15NO3S3,NC(CSS\C=C\CS(=O)CC=C)C(O)=O,"InChI=1S/C9H15NO3S3/c1-2-5-16(13)6-3-4-14-15-7-8(10)9(11)12/h2-4,8H,1,5-7,10H2,(H,11,12)/b4-3+",URBPKPSYQPHFAT,ONEGZZNKSA,N,Ajocysteine,URBPKPSYQPHFAT-ONEGZZNKSA-N
HMDB41053,558.199564018,C23H34N4O10S,CCC1(C)OC2=CC(C(O)C(NC)C(=O)NC(C)C(=O)NC1C(=O)NCC(O)=O)=C(C=C2O)S(=O)CCO,"InChI=1S/C23H34N4O10S/c1-5-23(3)19(22(35)25-10-16(30)31)27-20(33)11(2)26-21(34)17(24-4)18(32)12-8-14(37-23)13(29)9-15(12)38(36)7-6-28/h8-9,11,17-19,24,28-29,32H,5-7,10H2,1-4H3,(H,25,35)(H,26,34)(H,27,33)(H,30,31)",GLUWKRSBTMPQNR,UHFFFAOYSA,N,Ustiloxin C,GLUWKRSBTMPQNR-UHFFFAOYSA-N
HMDB41054,494.237664084,C23H34N4O8,CCC1(C)OC2=CC(=CC=C2O)C(O)C(NC)C(=O)NC(C(C)C)C(=O)NC1C(=O)NCC(O)=O,"InChI=1S/C23H34N4O8/c1-6-23(4)19(22(34)25-10-15(29)30)27-20(32)16(11(2)3)26-21(33)17(24-5)18(31)12-7-8-13(28)14(9-12)35-23/h7-9,11,16-19,24,28,31H,6,10H2,1-5H3,(H,25,34)(H,26,33)(H,27,32)(H,29,30)",GDXLZSYACWZHOC,UHFFFAOYSA,N,Ustiloxin D,GDXLZSYACWZHOC-UHFFFAOYSA-N
HMDB41055,334.214409448,C20H30O4,CC1C2CCC3C(C)(C)C(O)C(O)C(O)C3(C)C2C(=O)C=C1C=C,"InChI=1S/C20H30O4/c1-6-11-9-13(21)15-12(10(11)2)7-8-14-19(3,4)17(23)16(22)18(24)20(14,15)5/h6,9-10,12,14-18,22-24H,1,7-8H2,2-5H3",XFRCVLKGZMPUFQ,UHFFFAOYSA,N,Phytocassane B,XFRCVLKGZMPUFQ-UHFFFAOYSA-N
HMDB41056,316.203844762,C20H28O3,CC1C2CCC3C(C)(C)C(=O)C(O)CC3(C)C2C(=O)C=C1C=C,"InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-17,22H,1,7-8,10H2,2-5H3",XVEOIKIXOSKAFL,UHFFFAOYSA,N,Phytocassane A,XVEOIKIXOSKAFL-UHFFFAOYSA-N
HMDB41057,316.203844762,C20H28O3,CC1C2CCC3C(C)(C)C(O)C(=O)CC3(C)C2C(=O)C=C1C=C,"InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,16-18,23H,1,7-8,10H2,2-5H3",DGUIKAVSMBLZCL,UHFFFAOYSA,N,Phytocassane D,DGUIKAVSMBLZCL-UHFFFAOYSA-N
HMDB41058,318.219494826,C20H30O3,CC1C2CCC3C(C)(C)C(O)CC(O)C3(C)C2C(=O)C=C1C=C,"InChI=1S/C20H30O3/c1-6-12-9-14(21)18-13(11(12)2)7-8-15-19(3,4)16(22)10-17(23)20(15,18)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3",YQESGDRIAQDEQE,UHFFFAOYSA,N,Phytocassane C,YQESGDRIAQDEQE-UHFFFAOYSA-N
HMDB41059,296.065319146,C13H16N2O2S2,COC1N(OC)C2=CC=CC=C2C11CN=C(SC)S1,"InChI=1S/C13H16N2O2S2/c1-16-11-13(8-14-12(18-3)19-13)9-6-4-5-7-10(9)15(11)17-2/h4-7,11H,8H2,1-3H3",KJSKSCBVIGFOKZ,UHFFFAOYSA,N,N-Methoxyspirobrassinol methyl ether,KJSKSCBVIGFOKZ-UHFFFAOYSA-N
HMDB41060,262.023454332,C12H10N2OS2,COC1=CC=CC2=C1C1=CN=C(SC)SC1=N2,"InChI=1S/C12H10N2OS2/c1-15-9-5-3-4-8-10(9)7-6-13-12(16-2)17-11(7)14-8/h3-6H,1-2H3",JDYSKRAQSOYTDY,UHFFFAOYSA,N,Dehydro-4-methoxycyclobrassinin,JDYSKRAQSOYTDY-UHFFFAOYSA-N
HMDB41061,294.13682783,C18H18N2O2,CC1=CC2=C(C(C3=CC=C(O)C=C3)=[N+]3CCCCN23)C([O-])=C1,"InChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)",BYNDPWUDABJNCH,UHFFFAOYSA,N,Nigellidine,BYNDPWUDABJNCH-UHFFFAOYSA-N
HMDB41062,232.146329884,C15H20O2,CC1=CC=C2C(=C1)C1CCC2(C)OOC1(C)C,"InChI=1S/C15H20O2/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)17-16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3",ALXPNLYWXCZUCG,UHFFFAOYSA,N,"10,11-Epidioxycalamene",ALXPNLYWXCZUCG-UHFFFAOYSA-N
HMDB41063,347.115758037,C21H17NO4,COC1=C(OC)C2=C(C)N=C3C4=CC5=C(OCO5)C=C4C=CC3=C2C=C1,"InChI=1S/C21H17NO4/c1-11-19-13(6-7-16(23-2)21(19)24-3)14-5-4-12-8-17-18(26-10-25-17)9-15(12)20(14)22-11/h4-9H,10H2,1-3H3",FYDZPRHXTQYOIW,UHFFFAOYSA,N,"1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine",FYDZPRHXTQYOIW-UHFFFAOYSA-N
HMDB41064,250.074227574,C15H10N2O2,COC1=NC2=C3N(C4=CC=CC=C4C3=C1)C(=O)C=C2,"InChI=1S/C15H10N2O2/c1-19-13-8-10-9-4-2-3-5-12(9)17-14(18)7-6-11(16-13)15(10)17/h2-8H,1H3",CDWAXMGQLZGHDU,UHFFFAOYSA,N,2-Methoxycanthin-6-one,CDWAXMGQLZGHDU-UHFFFAOYSA-N
HMDB41065,157.935232952,C2H6S4,CSSSSC,InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3,NPNIZCVKXVRCHF,UHFFFAOYSA,N,Dimethyl tetrasulfide,NPNIZCVKXVRCHF-UHFFFAOYSA-N
HMDB41066,155.991485502,C3H8O3S2,CCCSS(O)(=O)=O,"InChI=1S/C3H8O3S2/c1-2-3-7-8(4,5)6/h2-3H2,1H3,(H,4,5,6)",XXRSQNIODUGKPF,UHFFFAOYSA,N,S-Propyl thiosulfate,XXRSQNIODUGKPF-UHFFFAOYSA-N
HMDB41067,440.459331164,C29H60O2,CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C29H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-29(31)27-28(30)25-23-6-4-2/h28-31H,3-27H2,1-2H3",DAGYDJHSDMRWJX,UHFFFAOYSA,N,"erythro-6,8-Nonacosanediol",DAGYDJHSDMRWJX-UHFFFAOYSA-N
HMDB41068,468.490631292,C31H64O2,CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C31H64O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31(33)29-30(32)27-25-6-4-2/h30-33H,3-29H2,1-2H3",QNOXEINYPHZJBN,UHFFFAOYSA,N,"erythro-6,8-Hentriacontanediol",QNOXEINYPHZJBN-UHFFFAOYSA-N
HMDB41069,454.474981228,C30H62O2,CCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C30H62O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(32)28-29(31)26-24-6-4-2/h29-32H,3-28H2,1-2H3",QJKICUPQKNEBFJ,UHFFFAOYSA,N,"erythro-6,8-Triacontanediol",QJKICUPQKNEBFJ-UHFFFAOYSA-N
HMDB41070,356.36543078,C23H48O2,CCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C23H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23(25)21-22(24)19-17-6-4-2/h22-25H,3-21H2,1-2H3",UTABNNBRPUDDNU,UHFFFAOYSA,N,"erythro-6,8-Tricosanediol",UTABNNBRPUDDNU-UHFFFAOYSA-N
HMDB41071,412.428031036,C27H56O2,CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C27H56O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h26-29H,3-25H2,1-2H3",VOOVQMDKNDAOJU,UHFFFAOYSA,N,"erythro-6,8-Heptacosanediol",VOOVQMDKNDAOJU-UHFFFAOYSA-N
HMDB41072,496.52193142,C33H68O2,CCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C33H68O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-33(35)31-32(34)29-27-6-4-2/h32-35H,3-31H2,1-2H3",KEXVEKKEEPRUMX,UHFFFAOYSA,N,"erythro-6,8-Tritriacontanediol",KEXVEKKEEPRUMX-UHFFFAOYSA-N
HMDB41073,510.537581484,C34H70O2,CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C34H70O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-34(36)32-33(35)30-28-6-4-2/h33-36H,3-32H2,1-2H3",QRVPXJSEKKWYDP,UHFFFAOYSA,N,"(6R*,8S*)-6,8-Tetratriacontanediol",QRVPXJSEKKWYDP-UHFFFAOYSA-N
HMDB41074,524.553231548,C35H72O2,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C35H72O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-35(37)33-34(36)31-29-6-4-2/h34-37H,3-33H2,1-2H3",ALIQGMLANZVJJZ,UHFFFAOYSA,N,"erythro-6,8-Pentatriacontanediol",ALIQGMLANZVJJZ-UHFFFAOYSA-N
HMDB41075,384.396730908,C25H52O2,CCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C25H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h24-27H,3-23H2,1-2H3",HGYIREHUWCLKJM,UHFFFAOYSA,N,"erythro-6,8-Pentacosanediol",HGYIREHUWCLKJM-UHFFFAOYSA-N
HMDB41076,426.4436811,C28H58O2,CCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C28H58O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(30)26-27(29)24-22-6-4-2/h27-30H,3-26H2,1-2H3",YLQMTWQFHUFYEG,UHFFFAOYSA,N,"erythro-6,8-Octacosanediol",YLQMTWQFHUFYEG-UHFFFAOYSA-N
HMDB41077,328.334130652,C21H44O2,CCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C21H44O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(23)19-20(22)17-15-6-4-2/h20-23H,3-19H2,1-2H3",OGWWHCZGFKSJBF,UHFFFAOYSA,N,"erythro-6,8-Heneicosanediol",OGWWHCZGFKSJBF-UHFFFAOYSA-N
HMDB41078,482.506281356,C32H66O2,CCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC,"InChI=1S/C32H66O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-32(34)30-31(33)28-26-6-4-2/h31-34H,3-30H2,1-2H3",WTYSXXNRDGTOIT,UHFFFAOYSA,N,"erythro-6,8-Dotriacontanediol",WTYSXXNRDGTOIT-UHFFFAOYSA-N
HMDB41079,153.975835438,C3H6O3S2,C\C=C\SS(O)(=O)=O,"InChI=1S/C3H6O3S2/c1-2-3-7-8(4,5)6/h2-3H,1H3,(H,4,5,6)/b3-2+",RUVGQUCSWPRGRF,NSCUHMNNSA,N,(E)-S-1-Propenyl thiosulfate,RUVGQUCSWPRGRF-NSCUHMNNSA-N
HMDB41080,538.532496106,C35H70O3,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC(O)CCCC,"InChI=1S/C35H70O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-32-35(37)38-33-29-26-23-22-24-27-31-34(36)30-6-4-2/h34,36H,3-33H2,1-2H3",SOELRCQALJYJGU,UHFFFAOYSA,N,9-Hydroxytridecyl docosanoate,SOELRCQALJYJGU-UHFFFAOYSA-N
HMDB41081,180.187800768,C13H24,CCCCCCC\C=C\CCC=C,"InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,9,11H,1,4-8,10,12-13H2,2H3/b11-9+",ODMNOSMBBUQPGW,PKNBQFBNSA,N,"(Z)-1,5-Tridecadiene",ODMNOSMBBUQPGW-PKNBQFBNSA-N
HMDB41082,234.23475096,C17H30,CCCCCCCC\C=C\C\C=C\CCC=C,"InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,9,11,15,17H,1,4-8,10,12-14,16H2,2H3/b11-9+,17-15+",MYHCPULNJBZGRM,HFPDKQRBSA,N,"(5Z,8Z)-1,5,8-Heptadecatriene",MYHCPULNJBZGRM-HFPDKQRBSA-N
HMDB41083,159.017640673,C6H9NS2,CS\C=C1\CCNC1=S,"InChI=1S/C6H9NS2/c1-9-4-5-2-3-7-6(5)8/h4H,2-3H2,1H3,(H,7,8)/b5-4-",BVYUPEKENRMVJK,PLNGDYQASA,N,(E)-Raphanusanin,BVYUPEKENRMVJK-PLNGDYQASA-N
HMDB41084,143.040484605,C6H9NOS,CO\C=C1\CCNC1=S,"InChI=1S/C6H9NOS/c1-8-4-5-2-3-7-6(5)9/h4H,2-3H2,1H3,(H,7,9)/b5-4-",FXKRKZYGKOWUNE,PLNGDYQASA,N,Raphanusamide,FXKRKZYGKOWUNE-PLNGDYQASA-N
HMDB41085,453.287908741,C28H39NO4,CCC(C)CC(C)\C=C(/C)C1OC(CCC1C)C1=C(O)C(=CN(C)C1=O)C1=CC=C(O)C=C1,"InChI=1S/C28H39NO4/c1-7-17(2)14-18(3)15-20(5)27-19(4)8-13-24(33-27)25-26(31)23(16-29(6)28(25)32)21-9-11-22(30)12-10-21/h9-12,15-19,24,27,30-31H,7-8,13-14H2,1-6H3/b20-15+",FVYDVAOTXPELMH,HMMYKYKNSA,N,Sambutoxin,FVYDVAOTXPELMH-HMMYKYKNSA-N
HMDB41086,640.205695254,C35H32N2O10,COC1=C(OC)C2=C(C=C1)C(=O)C1=C(O)C(C3C(OC4=C3C3=C(C(O)=C4)C(=O)C4=C(N3C)C(O)=CC=C4)C(C)(C)O)=C(OC)C=C1N2,"InChI=1S/C35H32N2O10/c1-35(2,43)34-26(24-21(47-34)13-18(39)23-29(24)37(3)28-15(31(23)41)8-7-9-17(28)38)25-20(45-5)12-16-22(32(25)42)30(40)14-10-11-19(44-4)33(46-6)27(14)36-16/h7-13,26,34,38-39,42-43H,1-6H3,(H,36,40)",FTTSBKFANOKIKQ,UHFFFAOYSA,N,Citbismine A,FTTSBKFANOKIKQ-UHFFFAOYSA-N
HMDB41087,311.079372531,C17H13NO5,COC1=C(O)C=CC2=C1N(C)C1=C(C(O)=CC3=C1C=CO3)C2=O,"InChI=1S/C17H13NO5/c1-18-14-8-5-6-23-12(8)7-11(20)13(14)16(21)9-3-4-10(19)17(22-2)15(9)18/h3-7,19-20H,1-2H3",YVQYEEOGMKSXAW,UHFFFAOYSA,N,Furoparadine,YVQYEEOGMKSXAW-UHFFFAOYSA-N
HMDB41088,465.178752223,C26H27NO7,COC1=CC(\C=C(/C(=O)NCCC2=CC=C(O)C=C2)C2=CC(OC)=C(O)C(OC)=C2)=CC=C1O,"InChI=1S/C26H27NO7/c1-32-22-13-17(6-9-21(22)29)12-20(18-14-23(33-2)25(30)24(15-18)34-3)26(31)27-11-10-16-4-7-19(28)8-5-16/h4-9,12-15,28-30H,10-11H2,1-3H3,(H,27,31)/b20-12-",VEUGFVRUMOLGFJ,NDENLUEZSA,N,(E)-Squamosamide,VEUGFVRUMOLGFJ-NDENLUEZSA-N
HMDB41089,298.15689457,C19H22O3,OC(CC\C=C\C1=CC=CC=C1)CCC1=CC(O)=C(O)C=C1,"InChI=1S/C19H22O3/c20-17(9-5-4-8-15-6-2-1-3-7-15)12-10-16-11-13-18(21)19(22)14-16/h1-4,6-8,11,13-14,17,20-22H,5,9-10,12H2/b8-4+",OELWYQGRQUQQPD,XBXARRHUSA,N,"4-(3-Hydroxy-7-phenyl-6-heptenyl)-1,2-benzenediol",OELWYQGRQUQQPD-XBXARRHUSA-N
HMDB41090,282.161979948,C19H22O2,OC(CC\C=C\C1=CC=CC=C1)CCC1=CC=C(O)C=C1,"InChI=1S/C19H22O2/c20-18(13-10-17-11-14-19(21)15-12-17)9-5-4-8-16-6-2-1-3-7-16/h1-4,6-8,11-12,14-15,18,20-21H,5,9-10,13H2/b8-4+",PXPIJNMPDAFWSF,XBXARRHUSA,N,(-)-(E)-1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol,PXPIJNMPDAFWSF-XBXARRHUSA-N
HMDB41091,406.199153314,C22H30O7,COC1=CC(CCC(O)CC(O)CCC2=CC(OC)=C(O)C=C2)=CC(OC)=C1O,"InChI=1S/C22H30O7/c1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h6,9-12,16-17,23-26H,4-5,7-8,13H2,1-3H3",UEKHBUNMFZUBFK,UHFFFAOYSA,N,"1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol",UEKHBUNMFZUBFK-UHFFFAOYSA-N
HMDB41092,588.475375158,C37H64O5,CCCCCCCCCCC1OC1CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3",KCYRZEFVHDREPK,UHFFFAOYSA,N,Tripoxyrollin,KCYRZEFVHDREPK-UHFFFAOYSA-N
HMDB41093,676.3670065,C33H56O14,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-",MPSGDHOYFIUPSO,PDBXOOCHSA,N,Gingerglycolipid A,MPSGDHOYFIUPSO-PDBXOOCHSA-N
HMDB41094,678.382656564,C33H58O14,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h6-7,9-10,22-24,26-35,37-42H,2-5,8,11-21H2,1H3/b7-6-,10-9-",UHISGSDYAIIBMO,HZJYTTRNSA,N,Gingerglycolipid B,UHISGSDYAIIBMO-HZJYTTRNSA-N
HMDB41095,680.398306628,C33H60O14,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C33H60O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h9-10,22-24,26-35,37-42H,2-8,11-21H2,1H3/b10-9-",VROZOADUAPWACT,KTKRTIGZSA,N,Gingerglycolipid C,VROZOADUAPWACT-KTKRTIGZSA-N
HMDB41096,322.089996796,C12H18O10,CC1OC(O)C(OC2OC(=CC(O)C2O)C(O)=O)C(O)C1O,"InChI=1S/C12H18O10/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18/h2-4,6-9,11-16,19H,1H3,(H,17,18)",PBUKNNGDHZLXKG,UHFFFAOYSA,N,Lepidimoic acid,PBUKNNGDHZLXKG-UHFFFAOYSA-N
HMDB41097,312.063388116,C17H12O6,OC1=CC(\C=C2\C=C(OC2=O)C2=CC(O)=C(O)C=C2)=CC(O)=C1,"InChI=1S/C17H12O6/c18-12-4-9(5-13(19)8-12)3-11-7-16(23-17(11)22)10-1-2-14(20)15(21)6-10/h1-8,18-21H/b11-3-",NKCVEROYQKLTRJ,JYOAFUTRSA,N,(E)-Antibiotic BE 23372M,NKCVEROYQKLTRJ-JYOAFUTRSA-N
HMDB41098,418.126382302,C21H22O9,CC1=C(OC2OC(COC(=O)\C=C\C3=CC=CC=C3)C(O)C(O)C2O)OC=CC1=O,"InChI=1S/C21H22O9/c1-12-14(22)9-10-27-20(12)30-21-19(26)18(25)17(24)15(29-21)11-28-16(23)8-7-13-5-3-2-4-6-13/h2-10,15,17-19,21,24-26H,11H2,1H3/b8-7+",JRUMXTPQUYPUHC,BQYQJAHWSA,N,2-Hydroxy-3-methyl-4H-pyran-4-one O-(6E-cinnamoyl-b-D-glucoside),JRUMXTPQUYPUHC-BQYQJAHWSA-N
HMDB41099,370.178023942,C22H26O5,COC1=C(CC=C(C)C)C(O)=C(C=C1)C1COC2=CC(O)=CC(OC)=C2C1,"InChI=1S/C22H26O5/c1-13(2)5-6-17-19(25-3)8-7-16(22(17)24)14-9-18-20(26-4)10-15(23)11-21(18)27-12-14/h5,7-8,10-11,14,23-24H,6,9,12H2,1-4H3",RRBCXJUMJUPDST,UHFFFAOYSA,N,Kanzonol R,RRBCXJUMJUPDST-UHFFFAOYSA-N
HMDB41100,384.1572885,C22H24O6,COC1=C2CC(COC2=C(C=O)C(O)=C1)C1=C(O)C(CC=C(C)C)=C(O)C=C1,"InChI=1S/C22H24O6/c1-12(2)4-5-15-18(24)7-6-14(21(15)26)13-8-16-20(27-3)9-19(25)17(10-23)22(16)28-11-13/h4,6-7,9-10,13,24-26H,5,8,11H2,1-3H3",ANRYVYXUTFJPOR,UHFFFAOYSA,N,Kanzonol N,ANRYVYXUTFJPOR-UHFFFAOYSA-N
HMDB41101,398.172938564,C23H26O6,COC1=C(CC=C(C)C)C(O)=C(C=C1)C1COC2=C(C=O)C(O)=CC(OC)=C2C1,"InChI=1S/C23H26O6/c1-13(2)5-6-16-20(27-3)8-7-15(22(16)26)14-9-17-21(28-4)10-19(25)18(11-24)23(17)29-12-14/h5,7-8,10-11,14,25-26H,6,9,12H2,1-4H3",KZQAGRHRFKIERV,UHFFFAOYSA,N,Kanzonol M,KZQAGRHRFKIERV-UHFFFAOYSA-N
HMDB41102,382.141638436,C22H22O6,COC1=C2CC(COC2=C(C=O)C(O)=C1)C1=C2OC(C)(C)C=CC2=C(O)C=C1,"InChI=1S/C22H22O6/c1-22(2)7-6-14-17(24)5-4-13(21(14)28-22)12-8-15-19(26-3)9-18(25)16(10-23)20(15)27-11-12/h4-7,9-10,12,24-25H,8,11H2,1-3H3",KSXQVRGDUCBPNX,UHFFFAOYSA,N,Kanzonol O,KSXQVRGDUCBPNX-UHFFFAOYSA-N
HMDB41103,380.292659768,C23H40O4,CCCCC\C=C/C\C=C/CCCCCCCC(=O)CC(O)COC(C)=O,"InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h7-8,10-11,23,26H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-",IBDVBNUJEGRVQN,NQLNTKRDSA,N,Persin,IBDVBNUJEGRVQN-NQLNTKRDSA-N
HMDB41105,254.297351216,C18H38,CCCCCCCCCCCC(C)CCCCC,"InChI=1S/C18H38/c1-4-6-8-9-10-11-12-13-15-17-18(3)16-14-7-5-2/h18H,4-17H2,1-3H3",RLXHXVUABXKBOE,UHFFFAOYSA,N,6-Methylheptadecane,RLXHXVUABXKBOE-UHFFFAOYSA-N
HMDB41106,278.297351216,C20H38,CCCCCCCCCCCCCCCCC#CCC,"InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-5,7,9-20H2,1-2H3",AQBXRWJMJJJCLI,UHFFFAOYSA,N,3-Eicosyne,AQBXRWJMJJJCLI-UHFFFAOYSA-N
HMDB41107,278.297351216,C20H38,CCCCCCCCCCCCCCC#CCCCC,"InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-9,11,13-20H2,1-2H3",ZPJDHJXVUOPHKD,UHFFFAOYSA,N,5-Eicosyne,ZPJDHJXVUOPHKD-UHFFFAOYSA-N
HMDB41108,278.297351216,C20H38,CCCCCCCCCCC#CCCCCCCCC,"InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-17,19H2,1-2H3",ARULVMGJDAAVBD,UHFFFAOYSA,N,9-Icosyne,ARULVMGJDAAVBD-UHFFFAOYSA-N
HMDB41109,180.089877638,C9H12N2O2,C\C=C1\NC(=O)C2CCCN2C1=O,"InChI=1S/C9H12N2O2/c1-2-6-9(13)11-5-3-4-7(11)8(12)10-6/h2,7H,3-5H2,1H3,(H,10,12)/b6-2+",ZNFUNIIHSUSXNE,QHHAFSJGSA,N,"(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione",ZNFUNIIHSUSXNE-QHHAFSJGSA-N
HMDB41110,486.26175357,C28H38O7,CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC(=O)C1C1C(CCC(C)=O)C1(C)C,"InChI=1S/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3",KGPNGYABEKLGJP,UHFFFAOYSA,N,Eucalyptone,KGPNGYABEKLGJP-UHFFFAOYSA-N
HMDB41111,414.349780716,C28H46O2,CC(CCC=C(C)C)C1CCC2(C)C3C(O)CC4CC(O)CCC4(C)C3=CCC12C,"InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)22-11-15-28(6)25-23(12-14-27(22,28)5)26(4)13-10-21(29)16-20(26)17-24(25)30/h8,12,19-22,24-25,29-30H,7,9-11,13-17H2,1-6H3",GVYKPOLJSCOPHA,UHFFFAOYSA,N,"(3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol",GVYKPOLJSCOPHA-UHFFFAOYSA-N
HMDB41112,428.36543078,C29H48O2,CC(C)C(=C)CCC(C)C1CCC2(C)C3C(O)CC4CC(O)CCC4(C)C3=CCC12C,"InChI=1S/C29H48O2/c1-18(2)19(3)8-9-20(4)23-11-15-29(7)26-24(12-14-28(23,29)6)27(5)13-10-22(30)16-21(27)17-25(26)31/h12,18,20-23,25-26,30-31H,3,8-11,13-17H2,1-2,4-7H3",XCSSKRDLJIUVCE,UHFFFAOYSA,N,"(3alpha,5alpha,7alpha)-14-Methylergosta-9(11),24(28)-dien-3,7-diol",XCSSKRDLJIUVCE-UHFFFAOYSA-N
HMDB41113,352.13107375,C21H20O5,COC1=C(CC=C(C)C)C2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=C(O)C=C1,"InChI=1S/C21H20O5/c1-12(2)4-9-15-19(25-3)11-17(24)20-16(23)10-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10-11,22,24H,9H2,1-3H3",BSZYNZDGUZYMDL,UHFFFAOYSA,N,Artonin U,BSZYNZDGUZYMDL-UHFFFAOYSA-N
HMDB41114,438.167853186,C25H26O7,CC(C)=CCC1=C2OC(=C(CC=C(C)C)C(=O)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1O,"InChI=1S/C25H26O7/c1-12(2)5-7-14-17(26)11-21(30)22-23(31)15(8-6-13(3)4)24(32-25(14)22)16-9-19(28)20(29)10-18(16)27/h5-6,9-11,26-30H,7-8H2,1-4H3",HZQCZAYJXNCOSH,UHFFFAOYSA,N,Artonin V,HZQCZAYJXNCOSH-UHFFFAOYSA-N
HMDB41115,370.126382302,C17H22O9,COC1=C(OC2OC(CO)C(O)C(O)C2O)C2=C(OCO2)C=C1CC=C,"InChI=1S/C17H22O9/c1-3-4-8-5-9-15(24-7-23-9)16(14(8)22-2)26-17-13(21)12(20)11(19)10(6-18)25-17/h3,5,10-13,17-21H,1,4,6-7H2,2H3",TUDSCAUWKFENRC,UHFFFAOYSA,N,Perilloside E,TUDSCAUWKFENRC-UHFFFAOYSA-N
HMDB41116,488.219888756,C30H32O6,CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC=C(C(=O)C2=C1O)C1=C2OC(C)(C)C=CC2=C(O)C=C1,"InChI=1S/C30H32O6/c1-16(2)7-9-20-25(32)21(10-8-17(3)4)29-24(26(20)33)27(34)22(15-35-29)18-11-12-23(31)19-13-14-30(5,6)36-28(18)19/h7-8,11-15,31-33H,9-10H2,1-6H3",CLXMHBYPZWNJQI,UHFFFAOYSA,N,Kanzonol L,CLXMHBYPZWNJQI-UHFFFAOYSA-N
HMDB41117,1026.13383126,C48H34O26,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C1=C(OC34C1C1OC(=O)C3C(=C(O)C4=O)C3=C(O)C(O)=C(O)C=C3C(=O)OC1C1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OCC1O)C=C2O,"InChI=1S/C48H34O26/c49-15-2-1-10(3-17(15)51)38-21(55)4-11-16(50)8-23-27(39(11)70-38)29-41-42(73-46(67)14-7-20(54)33(59)36(62)26(14)28-30(47(68)72-41)48(29,74-23)43(64)37(28)63)40-22(56)9-69-44(65)12-5-18(52)31(57)34(60)24(12)25-13(45(66)71-40)6-19(53)32(58)35(25)61/h1-3,5-8,21-22,29-30,38,40-42,49-63H,4,9H2",QVQMITBCNKWSNM,UHFFFAOYSA,N,Camelliatannin F,QVQMITBCNKWSNM-UHFFFAOYSA-N
HMDB41118,1086.118575126,C49H34O29,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C1=C(OC34C1C1OC(=O)C3=C(C3=C(O)C(O)=C(O)C=C3C(=O)OC1C1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OCC1O)C(O)(OC4=O)C(O)=O)C=C2O,"InChI=1S/C49H34O29/c50-15-2-1-10(3-17(15)52)37-21(56)4-11-16(51)8-23-27(38(11)73-37)29-40-41(39-22(57)9-72-42(64)12-5-18(53)31(58)34(61)24(12)25-13(43(65)74-39)6-19(54)32(59)35(25)62)76-44(66)14-7-20(55)33(60)36(63)26(14)28-30(45(67)75-40)48(29,77-23)47(70)78-49(28,71)46(68)69/h1-3,5-8,21-22,29,37,39-41,50-63,71H,4,9H2,(H,68,69)",MMIYRWRTSJNIBU,UHFFFAOYSA,N,Camelliatannin G,MMIYRWRTSJNIBU-UHFFFAOYSA-N
HMDB41119,1568.151844904,C68H48O44,OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=CC2=C(C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OC1C(OC2=O)C(O)OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC12,"InChI=1S/C68H48O44/c69-20-1-12(2-21(70)37(20)77)59(92)109-55-53-29(10-102-60(93)13-3-22(71)38(78)45(85)31(13)33-15(62(95)107-53)5-24(73)40(80)47(33)87)105-67(100)57(55)112-66(99)19-8-27(76)43(83)51(91)52(19)104-28-9-18-36(50(90)44(28)84)35-17(7-26(75)42(82)49(35)89)64(97)110-56-54-30(106-68(101)58(56)111-65(18)98)11-103-61(94)14-4-23(72)39(79)46(86)32(14)34-16(63(96)108-54)6-25(74)41(81)48(34)88/h1-9,29-30,53-58,67-91,100-101H,10-11H2",ZBMOTLSIXHTGAG,UHFFFAOYSA,N,Camelliatannin H,ZBMOTLSIXHTGAG-UHFFFAOYSA-N
HMDB41120,274.062994186,C18H10O3,O=C1OC(=O)C2=C(C=CC3=C2C1=CC=C3)C1=CC=CC=C1,InChI=1S/C18H10O3/c19-17-14-8-4-7-12-9-10-13(11-5-2-1-3-6-11)16(15(12)14)18(20)21-17/h1-10H,ISOSGRNBACDIEA,UHFFFAOYSA,N,"4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione",ISOSGRNBACDIEA-UHFFFAOYSA-N
HMDB41121,290.057908808,C18H10O4,OC1=CC=C(C=C1)C1=C2C(=O)OC(=O)C3=CC=CC(C=C1)=C23,"InChI=1S/C18H10O4/c19-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(21)22-17(14)20/h1-9,19H",YFQUGKAERRJRCN,UHFFFAOYSA,N,2-(4-Hydroxyphenyl)naphthalic anhydride,YFQUGKAERRJRCN-UHFFFAOYSA-N
HMDB41122,190.062994186,C11H10O3,CC1CC(=O)C2=C(C=CC=C2O)C1=O,"InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3",ALPCEXCHMFUSAN,UHFFFAOYSA,N,"(S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone",ALPCEXCHMFUSAN-UHFFFAOYSA-N
HMDB41123,356.125988372,C20H20O6,COC1=CC(=C\C=C\C=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O,"InChI=1S/C20H20O6/c1-23-15-9-13(10-16(24-2)19(15)21)7-5-6-8-14-11-17(25-3)20(22)18(12-14)26-4/h5-12H,1-4H3/b6-5+",KQTQOJWCKLPTGL,AATRIKPKSA,N,Kinobeon A,KQTQOJWCKLPTGL-AATRIKPKSA-N
HMDB41124,530.194067936,C31H30O8,COC(=O)C1(O)CC(=O)C2=C1C(=CC1=C2OC2=C(C(O)=C3C=CC(C)(C)OC3=C2CC=C(C)C)C1=O)C(C)=C,"InChI=1S/C31H30O8/c1-14(2)8-9-17-26-16(10-11-30(5,6)39-26)24(33)22-25(34)19-12-18(15(3)4)23-21(28(19)38-27(17)22)20(32)13-31(23,36)29(35)37-7/h8,10-12,33,36H,3,9,13H2,1-2,4-7H3",RYPVESRWZADKJR,UHFFFAOYSA,N,Artonin Q,RYPVESRWZADKJR-UHFFFAOYSA-N
HMDB41125,562.18389718,C31H30O10,COC(=O)C1(O)CC(=O)C2=C1C(=CC1=C2OC2=C(C(O)=C3C=CC(C)(C)OC3=C2\C=C\C(C)(C)OO)C1=O)C(C)=C,"InChI=1S/C31H30O10/c1-14(2)17-12-18-24(34)21-23(33)15-8-10-29(3,4)40-25(15)16(9-11-30(5,6)41-37)26(21)39-27(18)20-19(32)13-31(36,22(17)20)28(35)38-7/h8-12,33,36-37H,1,13H2,2-7H3/b11-9+",DHSZUELPJXKISQ,PKNBQFBNSA,N,Artonin R,DHSZUELPJXKISQ-PKNBQFBNSA-N
HMDB41126,408.230059512,C26H32O4,COC1=CC(OC)=C2CC3C(CC2=C1CC=C(C)C)C(C)(C)OC1=C3C=CC(O)=C1,"InChI=1S/C26H32O4/c1-15(2)7-9-17-19-13-22-20(12-21(19)24(29-6)14-23(17)28-5)18-10-8-16(27)11-25(18)30-26(22,3)4/h7-8,10-11,14,20,22,27H,9,12-13H2,1-6H3",VDNFSSVVXBUKRX,UHFFFAOYSA,N,Heterophylol,VDNFSSVVXBUKRX-UHFFFAOYSA-N
HMDB41127,960.28993797,C45H52O23,COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C(OC)=C3)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O,"InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)50)7-10-32(47)66-42-40(55)38(53)30(19-46)64-44(42)63-20-31-39(54)41(56)43(67-33(48)11-8-22-15-26(59-3)36(51)27(16-22)60-4)45(65-31)68-34(49)12-9-23-17-28(61-5)37(52)29(18-23)62-6/h7-18,30-31,38-46,50-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+",HVHNDGOZMSAQDC,SRDSWEMOSA,N,"1,2,2'-Trisinapoylgentiobioside",HVHNDGOZMSAQDC-SRDSWEMOSA-N
HMDB41128,592.449160408,C39H60O4,CC[C@@H](C(C)C)CC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C\C1=CC(OC)=C(O)C=C1,"InChI=1S/C39H60O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,17-18,23,25-26,28-34,40H,8-9,12-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,29+,30+,31?,32-,33?,34?,38+,39-/m1/s1",RAKOKKNCCBUUMP,OCZIXQBLSA,N,Feruloyldihydro-beta-sitosterol,RAKOKKNCCBUUMP-OCZIXQBLSA-N
HMDB41129,592.142820226,C27H28O15,CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32)",ZALWWUJLKFBCQF,UHFFFAOYSA,N,6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin,ZALWWUJLKFBCQF-UHFFFAOYSA-N
HMDB41130,480.345089268,C28H48O6,CC(C)C(C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3",IXVMHGVQKLDRKH,UHFFFAOYSA,N,24-Epibrassinolide,IXVMHGVQKLDRKH-UHFFFAOYSA-N
HMDB41131,662.36661257,C36H54O11,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C36H54O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,17,19-27,29,38-41H,8-16H2,1-6H3,(H,42,43)(H,44,45)",PIGTXFOGKFOFTO,UHFFFAOYSA,N,Prosapogenin,PIGTXFOGKFOFTO-UHFFFAOYSA-N
HMDB41132,648.387348012,C36H56O10,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C36H56O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,18,20-29,37,39-42H,8-17H2,1-6H3,(H,43,44)",UMZJDWXXVAQSPZ,UHFFFAOYSA,N,2a-Hydroxygypsogenin 3-O-b-D-glucoside,UMZJDWXXVAQSPZ-UHFFFAOYSA-N
HMDB41133,282.049669082,C12H14N2O2S2,CON1C(O)C2(CN=C(SC)S2)C2=CC=CC=C12,"InChI=1S/C12H14N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6,10,15H,7H2,1-2H3",YMIMEAOCSJOCSI,UHFFFAOYSA,N,N-Methoxyspirobrassinol,YMIMEAOCSJOCSI-UHFFFAOYSA-N
HMDB41134,918.482430186,C45H74O19,CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1,"InChI=1S/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3",CGORMVKERVDQKF,UHFFFAOYSA,N,Neogitogenin 3-[glucosyl-(1->2)-glucosyl-(1->4)-galactoside],CGORMVKERVDQKF-UHFFFAOYSA-N
HMDB41135,464.350174646,C28H48O5,CC(C)C(C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3",LLFIMDUWAVPJEJ,UHFFFAOYSA,N,2-Deoxybrassinolide,LLFIMDUWAVPJEJ-UHFFFAOYSA-N
HMDB41136,366.123401553,C19H23ClO5,CC(C)C(=O)CC1=C(OCC(O)C(C)(C)Cl)C=CC2=C1OC(=O)C=C2,"InChI=1S/C19H23ClO5/c1-11(2)14(21)9-13-15(24-10-16(22)19(3,4)20)7-5-12-6-8-17(23)25-18(12)13/h5-8,11,16,22H,9-10H2,1-4H3",ABSHGVKRCLSRQK,UHFFFAOYSA,N,3''-Chloro-3''-deoxytriphasiol,ABSHGVKRCLSRQK-UHFFFAOYSA-N
HMDB41137,536.298533006,C29H44O9,CC1OC(CC(O)C1O)OC1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1,"InChI=1S/C29H44O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,16,18-22,24-25,30-31,33-35H,3-10,12-15H2,1-2H3",KISYRRMFQYIIFQ,UHFFFAOYSA,N,Corchorosol A,KISYRRMFQYIIFQ-UHFFFAOYSA-N
HMDB41138,1206.60333318,C58H94O26,CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC4(C)C(=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC45C)C2CC(C)(C)C(O)C3)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C58H94O26/c1-23-44(81-47-41(71)34(64)26(61)21-75-47)40(70)43(73)48(77-23)82-45-35(65)27(62)22-76-50(45)84-52(74)58-16-15-56(7)24(25(58)17-53(2,3)32(63)18-58)9-10-31-55(6)13-12-33(54(4,5)30(55)11-14-57(31,56)8)80-51-46(39(69)37(67)29(20-60)79-51)83-49-42(72)38(68)36(66)28(19-59)78-49/h9,23,25-51,59-73H,10-22H2,1-8H3",YPIXJXFNNXQYKL,UHFFFAOYSA,N,Acutoside C,YPIXJXFNNXQYKL-UHFFFAOYSA-N
HMDB41139,374.172938564,C21H26O6,COC(=O)C1=C/CC\C(C)=C\C2OC(=O)C(=C)C2C(C\1)OC(=O)C(\C)=C/C,"InChI=1S/C21H26O6/c1-6-13(3)19(22)26-17-11-15(21(24)25-5)9-7-8-12(2)10-16-18(17)14(4)20(23)27-16/h6,9-10,16-18H,4,7-8,11H2,1-3,5H3/b12-10+,13-6-,15-9+",DBSZDVZLFLCIOQ,VPXSVSNXSA,N,Sonchifolin,DBSZDVZLFLCIOQ-VPXSVSNXSA-N
HMDB41140,248.104859,C14H16O4,CC(C)=CCOC(=O)\C=C\C1=CC=C(O)C(O)=C1,"InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+",TTYOHMFLCXENHR,GQCTYLIASA,N,Prenyl cis-caffeate,TTYOHMFLCXENHR-GQCTYLIASA-N
HMDB41141,299.079372531,C16H13NO5,COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C2=C(OCO2)C=C1,"InChI=1S/C16H13NO5/c1-17-10-5-8(20-2)6-11(18)13(10)15(19)9-3-4-12-16(14(9)17)22-7-21-12/h3-6,18H,7H2,1-2H3",HIDPWENUZOGSOF,UHFFFAOYSA,N,Marshdine,HIDPWENUZOGSOF-UHFFFAOYSA-N
HMDB41142,287.188529049,C18H25NO2,C\C=C(/C)C(=O)NCCC1=CC=C(OCC=C(C)C)C=C1,"InChI=1S/C18H25NO2/c1-5-15(4)18(20)19-12-10-16-6-8-17(9-7-16)21-13-11-14(2)3/h5-9,11H,10,12-13H2,1-4H3,(H,19,20)/b15-5+",VKVSQOIICDPVQR,PJQLUOCWSA,N,N-[2-(4-Prenyloxyphenyl)ethyl]tiglamide,VKVSQOIICDPVQR-PJQLUOCWSA-N
HMDB41143,363.147058165,C22H21NO4,COC1=C(OC)C2=C(C=C1)C1=C(N(C)C2C)C2=CC3=C(OCO3)C=C2C=C1,"InChI=1S/C22H21NO4/c1-12-20-14(7-8-17(24-3)22(20)25-4)15-6-5-13-9-18-19(27-11-26-18)10-16(13)21(15)23(12)2/h5-10,12H,11H2,1-4H3",NDRJOHZGHCUTCQ,UHFFFAOYSA,N,8-Methyldihydrochelerythrine,NDRJOHZGHCUTCQ-UHFFFAOYSA-N
HMDB41144,280.13107375,C15H20O5,CC1C2C(CC1=O)C(=C)CCC1C2OC(=O)C1(O)CO,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3",XJUFXNXZZRHROZ,UHFFFAOYSA,N,"8-Deoxy-11,13-dihydroxygrosheimin",XJUFXNXZZRHROZ-UHFFFAOYSA-N
HMDB41145,442.381080844,C30H50O2,CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1C,"InChI=1S/C30H50O2/c1-19-10-13-26(3)16-17-29(6)21(25(26)20(19)2)8-9-23-27(4)14-12-24(32)28(5,18-31)22(27)11-15-30(23,29)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3",OWRQLFZZRDBJKV,UHFFFAOYSA,N,"3alpha-12-Ursene-3,24-diol",OWRQLFZZRDBJKV-UHFFFAOYSA-N
HMDB41146,590.433510344,C39H58O4,CC[C@H](CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)\C=C\C1=CC=C(O)C(OC)=C1)C(C)C,"InChI=1S/C39H58O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,13,17-18,23,25-26,28,30-34,40H,8-9,12,14-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,30+,31+,32-,33+,34+,38+,39-/m1/s1",ROUSJNZGMHNWOS,OJJOFZOASA,N,Feruloyl-beta-sitosterol,ROUSJNZGMHNWOS-OJJOFZOASA-N
HMDB41147,436.100561482,C20H20O11,COC1=C(C2OC(CO)C(O)C(O)C2O)C2=C(C(O)=C1)C(=O)C1=C(O2)C=C(O)C(O)=C1,"InChI=1S/C20H20O11/c1-29-11-4-9(24)13-15(25)6-2-7(22)8(23)3-10(6)30-19(13)14(11)20-18(28)17(27)16(26)12(5-21)31-20/h2-4,12,16-18,20-24,26-28H,5H2,1H3",VXVIYGXUCPLQBI,UHFFFAOYSA,N,Isochinomin,VXVIYGXUCPLQBI-UHFFFAOYSA-N
HMDB41148,582.231241302,C28H38O13,COC1=CC(=CC(OC)=C1O)C1C(CO)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC(OC)=C(O)C(OC)=C12,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(9-29)14(5-12-6-18(38-3)24(33)27(39-4)21(12)20)11-40-28-26(35)25(34)23(32)19(10-30)41-28/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3",PACBNJFGEWTGCE,UHFFFAOYSA,N,(+)-Lyoniresinol 9-glucoside,PACBNJFGEWTGCE-UHFFFAOYSA-N
HMDB41149,712.221464476,C32H40O18,OCC1OC(OC2=CC3=C(C=C2)C(=O)CC(O3)C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O)C(O)C1O,"InChI=1S/C32H40O18/c33-9-20-22(37)24(39)26(41)29(48-20)46-15-5-6-16-17(36)8-18(47-19(16)7-15)13-1-3-14(4-2-13)45-30-27(25(40)23(38)21(10-34)49-30)50-31-28(42)32(43,11-35)12-44-31/h1-7,18,20-31,33-35,37-43H,8-12H2",JUYBMOHJXUXKDN,UHFFFAOYSA,N,Glucoliquiritin apioside,JUYBMOHJXUXKDN-UHFFFAOYSA-N
HMDB41150,434.121296924,C21H22O10,OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=C(O)C=C2)C(=O)C2=C1C=C(CO)C=C2O,"InChI=1S/C21H22O10/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2",HKKOALUTOMGGMT,UHFFFAOYSA,N,7-Hydroxyaloin B,HKKOALUTOMGGMT-UHFFFAOYSA-N
HMDB41151,680.174120354,C34H32O15,COC1=CC2=C(OCO2)C=C1C1=COC2=CC(OC3OC(CO)C(O)C(O)C3OC(=O)\C=C/C3=CC=C(O)C=C3)=C(OC)C(OC)=C2C1=O,"InChI=1S/C34H32O15/c1-41-20-11-22-21(45-15-46-22)10-18(20)19-14-44-23-12-24(31(42-2)32(43-3)27(23)28(19)38)47-34-33(30(40)29(39)25(13-35)48-34)49-26(37)9-6-16-4-7-17(36)8-5-16/h4-12,14,25,29-30,33-36,39-40H,13,15H2,1-3H3/b9-6-",MRZUIFKFQDDCQC,TWGQIWQCSA,N,"7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-(2-p-coumaroylglucoside)",MRZUIFKFQDDCQC-TWGQIWQCSA-N
HMDB41152,314.188194698,C20H26O3,COC(=O)\C=C\C1=CC=C(OC\C=C(/C)CCC=C(C)C)C=C1,"InChI=1S/C20H26O3/c1-16(2)6-5-7-17(3)14-15-23-19-11-8-18(9-12-19)10-13-20(21)22-4/h6,8-14H,5,7,15H2,1-4H3/b13-10+,17-14+",KSSYIBXTLHIBBX,OZZAOFPBSA,N,"Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl)",KSSYIBXTLHIBBX-OZZAOFPBSA-N
HMDB41153,873.208947996,C40H41O22,COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3=C([O+]=C4C=C(O)C=C(OC5OC(COC(=O)CC(O)=O)C(O)C(O)C5O)C4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)=C1,"InChI=1S/C40H40O22/c1-55-25-8-16(2-5-21(25)43)3-7-30(47)56-14-27-32(49)35(52)37(54)40(62-27)60-26-12-19-23(58-38(26)17-4-6-20(42)22(44)9-17)10-18(41)11-24(19)59-39-36(53)34(51)33(50)28(61-39)15-57-31(48)13-29(45)46/h2-12,27-28,32-37,39-40,49-54H,13-15H2,1H3,(H4-,41,42,43,44,45,46,47)/p+1",MWFHUILXIXNBKO,UHFFFAOYSA,O,Cyanidin 3-(6-feruloylglucoside) 5-(6-malonylglucoside),MWFHUILXIXNBKO-UHFFFAOYSA-O
HMDB41154,817.219118752,C38H41O20,COC1=CC(\C=C\C(=O)OC2C(CO)OC(OCC3OC(OC4=CC5=C(O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)C(O)C(O)C3O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C38H40O20/c1-51-23-7-15(8-24(52-2)29(23)45)3-6-28(44)58-36-26(13-39)56-37(34(50)32(36)48)53-14-27-30(46)31(47)33(49)38(57-27)55-25-12-18-20(42)10-17(40)11-22(18)54-35(25)16-4-5-19(41)21(43)9-16/h3-12,26-27,30-34,36-39,46-50H,13-14H2,1-2H3,(H4-,40,41,42,43,44,45)/p+1",LJRPBUHSDYCLFX,UHFFFAOYSA,O,Alatanin 1,LJRPBUHSDYCLFX-UHFFFAOYSA-O
HMDB41155,1081.30363624,C48H57O28,OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)OC2OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C48H56O28/c49-13-27-32(56)36(60)40(64)45(72-27)68-20-5-1-17(2-6-20)3-8-31(55)67-16-30-35(59)39(63)44(76-47-42(66)38(62)34(58)29(15-51)74-47)48(75-30)71-26-12-21-24(69-43(26)18-4-7-22(53)23(54)9-18)10-19(52)11-25(21)70-46-41(65)37(61)33(57)28(14-50)73-46/h1-12,27-30,32-42,44-51,56-66H,13-16H2,(H2-,52,53,54)/p+1/b8-3+",JSIMVXMJRFINRS,FPYGCLRLSA,O,Cyanidin 3-[6-(4-glucosylcoumaryl)sophoroside] 5-glucoside,JSIMVXMJRFINRS-FPYGCLRLSA-O
HMDB41156,1111.314200926,C49H59O29,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(\C=C\C(=O)OCC2OC(OC3=C([O+]=C4C=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C4=C3)C3=CC(O)=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=C1,"InChI=1S/C49H58O29/c1-68-26-8-17(2-6-23(26)71-46-41(65)37(61)33(57)28(13-50)74-46)3-7-32(56)69-16-31-36(60)40(64)45(78-48-43(67)39(63)35(59)30(15-52)76-48)49(77-31)73-27-12-20-24(70-44(27)18-4-5-21(54)22(55)9-18)10-19(53)11-25(20)72-47-42(66)38(62)34(58)29(14-51)75-47/h2-12,28-31,33-43,45-52,57-67H,13-16H2,1H3,(H2-,53,54,55)/p+1/b7-3+",DYGVXLHJKPMICV,XVNBXDOJSA,O,Cyanidin 3-[6-(4-glucosylferuloyl)sophoroside] 5-glucoside,DYGVXLHJKPMICV-XVNBXDOJSA-O
HMDB41157,1125.308721618,C53H57O27,COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=C([O+]=C5C=C(O)C=C(OC6OC(CO)C(O)C(O)C6O)C5=C4)C4=CC(O)=C(O)C=C4)OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C53H56O27/c1-70-32-13-23(14-33(71-2)40(32)62)6-12-39(61)79-49-45(67)42(64)36(20-55)77-53(49)80-50-46(68)43(65)37(21-72-38(60)11-5-22-3-8-25(56)9-4-22)78-52(50)75-34-18-27-30(73-48(34)24-7-10-28(58)29(59)15-24)16-26(57)17-31(27)74-51-47(69)44(66)41(63)35(19-54)76-51/h3-18,35-37,41-47,49-55,63-69H,19-21H2,1-2H3,(H4-,56,57,58,59,60,61,62)/p+1",ONNRUPQNEBXWOW,UHFFFAOYSA,O,Cyanidin 3-(6-coumaryl-2'-sinapoylsophoroside) 5-glucoside,ONNRUPQNEBXWOW-UHFFFAOYSA-O
HMDB41158,1155.319286304,C54H59O28,COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=C([O+]=C5C=C(O)C=C(OC6OC(CO)C(O)C(O)C6O)C5=C4)C4=CC(O)=C(O)C=C4)OC(COC(=O)\C=C\C4=CC(OC)=C(O)C=C4)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C54H58O28/c1-71-32-12-22(4-8-28(32)59)5-10-39(61)74-21-38-44(66)47(69)51(82-54-50(46(68)43(65)37(20-56)79-54)81-40(62)11-6-23-13-33(72-2)41(63)34(14-23)73-3)53(80-38)77-35-18-26-30(75-49(35)24-7-9-27(58)29(60)15-24)16-25(57)17-31(26)76-52-48(70)45(67)42(64)36(19-55)78-52/h4-18,36-38,42-48,50-56,64-70H,19-21H2,1-3H3,(H4-,57,58,59,60,61,62,63)/p+1",YDZFANGJNKDDKY,UHFFFAOYSA,O,Cyanidin 3-(6-feruloyl-2'-sinapoylsophoroside) 5-glucoside,YDZFANGJNKDDKY-UHFFFAOYSA-O
HMDB41159,743.203468688,C32H39O20,OCC1OC(OCC2OC(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/p+1",RAHCBDLMLRVOBZ,UHFFFAOYSA,O,Cyanidin 3-O-[b-D-Xylopyranosyl-(1->2)-[b-D-glucopyranosyl-(1->6)]-b-D-galactopyranoside],RAHCBDLMLRVOBZ-UHFFFAOYSA-O
HMDB41160,863.22459806,C39H43O22,OC1COC(OC2C(O)C(O)C(COC3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)OC2OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C39H42O22/c40-16-4-1-14(2-5-16)36(53)54-12-25-28(47)30(49)33(52)37(59-25)56-13-26-29(48)31(50)35(61-38-32(51)27(46)22(45)11-55-38)39(60-26)58-24-10-18-20(43)8-17(41)9-23(18)57-34(24)15-3-6-19(42)21(44)7-15/h1-10,22,25-33,35,37-39,45-52H,11-13H2,(H4-,40,41,42,43,44,53)/p+1",NKWMVPVTAGESHZ,UHFFFAOYSA,O,Cyanidin 3-O-[b-D-Xylopyranosyl-(1->2)-[(4-hydroxybenzoyl)-(->6)-b-D-glucopyranosyl-(1->6)]-b-D-galactopyranoside],NKWMVPVTAGESHZ-UHFFFAOYSA-O
HMDB41161,889.240248124,C41H45O22,OC1COC(OC2C(O)C(O)C(COC3OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C(O)C3O)OC2OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C41H44O22/c42-18-5-1-16(2-6-18)3-8-29(48)56-14-27-31(50)33(52)36(55)39(61-27)58-15-28-32(51)34(53)38(63-40-35(54)30(49)24(47)13-57-40)41(62-28)60-26-12-20-22(45)10-19(43)11-25(20)59-37(26)17-4-7-21(44)23(46)9-17/h1-12,24,27-28,30-36,38-41,47,49-55H,13-15H2,(H4-,42,43,44,45,46,48)/p+1",AVYXHYMPVRRQIG,UHFFFAOYSA,O,Cyanidin 3-O-[b-D-Xylopyranosyl-(1->2)-[4-hydroxycinnamoyl-(->6)-b-D-glucopyranosyl-(1->6)]-b-D-galactopyranoside],AVYXHYMPVRRQIG-UHFFFAOYSA-O
HMDB41162,919.25081281,C42H47O23,COC1=CC(\C=C\C(=O)OCC2OC(OCC3OC(OC4=CC5=C(O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)=CC=C1O,"InChI=1S/C42H46O23/c1-57-26-8-16(2-5-21(26)45)3-7-30(49)58-14-28-32(51)34(53)37(56)40(63-28)60-15-29-33(52)35(54)39(65-41-36(55)31(50)24(48)13-59-41)42(64-29)62-27-12-19-22(46)10-18(43)11-25(19)61-38(27)17-4-6-20(44)23(47)9-17/h2-12,24,28-29,31-37,39-42,48,50-56H,13-15H2,1H3,(H4-,43,44,45,46,47,49)/p+1",MUQNMJSHMPEZCV,UHFFFAOYSA,O,Cyanidin 3-O-[b-D-Xylopyranosyl-(1->2)-[(4-hydroxy-3-methoxycinnamoyl)-(->6)-b-D-glucopyranosyl-(1->6)]-b-D-galactopyranoside],MUQNMJSHMPEZCV-UHFFFAOYSA-O
HMDB41163,817.219118752,C38H41O20,COC1=CC(\C=C\C(=O)OCC2OC(OCC3OC(OC4=CC5=C(O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)C(O)C(O)C3O)C(O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C38H40O20/c1-51-23-7-15(8-24(52-2)29(23)44)3-6-28(43)53-13-26-30(45)32(47)34(49)37(57-26)54-14-27-31(46)33(48)35(50)38(58-27)56-25-12-18-20(41)10-17(39)11-22(18)55-36(25)16-4-5-19(40)21(42)9-16/h3-12,26-27,30-35,37-38,45-50H,13-14H2,1-2H3,(H4-,39,40,41,42,43,44)/p+1",UOEASSRAYLSNGX,UHFFFAOYSA,O,Alatanin C,UOEASSRAYLSNGX-UHFFFAOYSA-O
HMDB41164,1347.38267442,C61H71O34,COC1=CC(\C=C\C(=O)OCC2OC(OCC3OC(OC4=CC5=C(O)C=C(OC6OC(COC(=O)\C=C\C7=CC(OC)=C(O)C(OC)=C7)C(O)C(O)C6O)C=C5[O+]=C4C4=CC=C(O)C(OC5OC(CO)C(O)C(O)C5O)=C4)C(O)C(O)C3O)C(O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C61H70O34/c1-81-32-11-23(12-33(82-2)43(32)67)5-9-41(65)85-20-38-46(70)50(74)53(77)58(93-38)87-22-40-48(72)52(76)56(80)61(95-40)91-36-18-27-29(64)16-26(17-30(27)89-57(36)25-7-8-28(63)31(15-25)90-60-55(79)49(73)45(69)37(19-62)92-60)88-59-54(78)51(75)47(71)39(94-59)21-86-42(66)10-6-24-13-34(83-3)44(68)35(14-24)84-4/h5-18,37-40,45-56,58-62,69-80H,19-22H2,1-4H3,(H3-,63,64,65,66,67,68)/p+1",XGIATRRVWDRDPO,UHFFFAOYSA,O,Alatanin B,XGIATRRVWDRDPO-UHFFFAOYSA-O
HMDB41165,1509.43549785,C67H81O39,COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC(O)=C4C=C(OC5OC(COC6OC(COC(=O)\C=C\C7=CC(OC)=C(O)C(OC)=C7)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C(O)C5O)C(=[O+]C4=C3)C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)C(O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C67H80O39/c1-90-33-11-24(12-34(91-2)45(33)74)5-9-43(72)94-21-40-49(78)54(83)56(85)64(104-40)97-27-16-30(71)28-18-37(61(98-31(28)17-27)26-7-8-29(70)32(15-26)99-65-57(86)52(81)47(76)38(19-68)101-65)100-66-58(87)55(84)50(79)41(105-66)23-96-63-60(89)62(106-67-59(88)53(82)48(77)39(20-69)102-67)51(80)42(103-63)22-95-44(73)10-6-25-13-35(92-3)46(75)36(14-25)93-4/h5-18,38-42,47-60,62-69,76-89H,19-23H2,1-4H3,(H3-,70,71,72,73,74,75)/p+1",HWNDTEYNINVJQQ,UHFFFAOYSA,O,Alatanin A,HWNDTEYNINVJQQ-UHFFFAOYSA-O
HMDB41166,434.172938564,C26H26O6,COC1=CC2=C(C=C1)C1=C(C(O2)C=C(C)C)C(=O)C2=C(O1)C=C(O)C(\C=C\C(C)C)=C2O,"InChI=1S/C26H26O6/c1-13(2)6-8-16-18(27)12-21-22(24(16)28)25(29)23-20(10-14(3)4)31-19-11-15(30-5)7-9-17(19)26(23)32-21/h6-13,20,27-28H,1-5H3/b8-6+",FUOITKFXHPXSCA,SOFGYWHQSA,N,Cycloartocarpin,FUOITKFXHPXSCA-SOFGYWHQSA-N
HMDB41167,322.120509064,C20H18O4,CC1(C)OC2=C(C=C1)C1=C(C=C2)C2OC3=C(C=CC(O)=C3)C2CO1,"InChI=1S/C20H18O4/c1-20(2)8-7-13-16(24-20)6-5-14-18(13)22-10-15-12-4-3-11(21)9-17(12)23-19(14)15/h3-9,15,19,21H,10H2,1-2H3",QGPHRCQDTPCIQI,UHFFFAOYSA,N,(-)-Shinpterocarpin,QGPHRCQDTPCIQI-UHFFFAOYSA-N
HMDB41168,286.120509064,C17H18O4,COC1=C(C)C(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1,"InChI=1S/C17H18O4/c1-11-15(21-2)10-14(19)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3",BMBFYUFAFGLKJJ,UHFFFAOYSA,N,Myrigalone G,BMBFYUFAFGLKJJ-UHFFFAOYSA-N
HMDB41169,286.120509064,C17H18O4,COC1=C(C(=O)CCC2=CC=CC=C2)C(O)=C(C)C(O)=C1,"InChI=1S/C17H18O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3",ZDJYWPQCNAPESX,UHFFFAOYSA,N,Myrigalone H,ZDJYWPQCNAPESX-UHFFFAOYSA-N
HMDB41170,433.113471892,C21H21O10,OCC1OC(OC2=CC(O)=CC3=C2C=C(O)C(=[O+]3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-6-11(24)5-14-12(15)7-13(25)20(29-14)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1",AFRWRFLTMADQHJ,UHFFFAOYSA,O,Pelargonidin 5-galactoside,AFRWRFLTMADQHJ-UHFFFAOYSA-O
HMDB41171,595.166295322,C27H31O15,COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C27H30O15/c1-37-17-4-10(2-3-13(17)30)24-18(7-12-14(31)5-11(29)6-16(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1",PYUGATAPBPHGFK,UHFFFAOYSA,O,Peonidin 3-lathyroside,PYUGATAPBPHGFK-UHFFFAOYSA-O
HMDB41172,352.13107375,C21H20O5,COC1=C(O)C=CC2=C1OCC1C2OC2=C1C=CC1=C2C=CC(C)(C)O1,"InChI=1S/C21H20O5/c1-21(2)9-8-12-16(26-21)7-5-11-14-10-24-19-13(18(14)25-17(11)12)4-6-15(22)20(19)23-3/h4-9,14,18,22H,10H2,1-3H3",JQFXBCOZQHXLQX,UHFFFAOYSA,N,1-Methoxyphaseollin,JQFXBCOZQHXLQX-UHFFFAOYSA-N
HMDB41173,422.05189673,C15H18O12S,OC1C(COS(O)(=O)=O)OC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C15H18O12S/c16-8-3-1-7(5-9(8)17)2-4-11(18)27-15-14(21)13(20)12(19)10(26-15)6-25-28(22,23)24/h1-5,10,12-17,19-21H,6H2,(H,22,23,24)/b4-2+",GAIBMNYWJJJOQO,DUXPYHPUSA,N,1-O-Caffeoyl-(b-D-glucose 6-O-sulfate),GAIBMNYWJJJOQO-DUXPYHPUSA-N
HMDB41174,406.056982108,C15H18O11S,OC1C(COS(O)(=O)=O)OC(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O,"InChI=1S/C15H18O11S/c16-9-4-1-8(2-5-9)3-6-11(17)26-15-14(20)13(19)12(18)10(25-15)7-24-27(21,22)23/h1-6,10,12-16,18-20H,7H2,(H,21,22,23)/b6-3+",OMFHKRCSRGUKRK,ZZXKWVIFSA,N,1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate),OMFHKRCSRGUKRK-ZZXKWVIFSA-N
HMDB41175,386.121296924,C17H22O10,COC1=CC(\C=C\C(=O)OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+",XRKBRPFTFKKHEF,ONEGZZNKSA,N,1-O-Sinapoylglucose,XRKBRPFTFKKHEF-ONEGZZNKSA-N
HMDB41176,390.225368064,C19H34O8,CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(O)CC1(C)C,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+",MRPDHXXPDCVBPQ,AATRIKPKSA,N,"(3S,5R,6S,7E,9x)-7-Megastigmene-3,6,9-triol 9-glucoside",MRPDHXXPDCVBPQ-AATRIKPKSA-N
HMDB41177,506.412380972,C35H54O2,CCCCCCC\C=C\CC#CC#CC(OC(=O)CCCCCCC\C=C\C\C=C/CCCCC)C=C,"InChI=1S/C35H54O2/c1-4-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35(36)37-34(6-3)32-30-28-26-24-22-18-16-14-12-10-8-5-2/h6,13,15,18-20,22,34H,3-5,7-12,14,16-17,21,23-25,27,29,31,33H2,1-2H3/b15-13-,20-19+,22-18+",QALUBIVHAOUQRD,XEJKXIQKSA,N,Panaxynol linoleate,QALUBIVHAOUQRD-XEJKXIQKSA-N
HMDB41178,1498.719150796,C70H114O34,CC1OC(OC2C(C)OC(OC3C(O)C(COC4OCC(O)C(O)C4O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(O)CC65C)C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4(C)C)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C70H114O34/c1-25-38(75)43(80)48(85)58(94-25)100-53-26(2)95-59(50(87)45(53)82)102-55-42(79)33(24-93-57-47(84)39(76)30(72)22-91-57)98-62(52(55)89)99-37-14-15-67(8)34(66(37,6)7)13-16-68(9)35(67)12-11-28-29-19-65(4,5)17-18-70(29,36(74)20-69(28,68)10)64(90)104-63-56(40(77)31(73)23-92-63)103-60-51(88)46(83)54(27(3)96-60)101-61-49(86)44(81)41(78)32(21-71)97-61/h11,25-27,29-63,71-89H,12-24H2,1-10H3",KJOWFPGVPJXPDN,UHFFFAOYSA,N,Helianthoside C,KJOWFPGVPJXPDN-UHFFFAOYSA-N
HMDB41179,556.412774902,C35H56O5,CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O,"InChI=1S/C35H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34(37)40-27-30-25-33(39-5)31(35(38)32(30)26-36)24-23-29(4)21-19-20-28(2)3/h20,23,25-26,38H,6-19,21-22,24,27H2,1-5H3/b29-23+",PLUINHYLFTYIKB,BYNJWEBRSA,N,Hericene A,PLUINHYLFTYIKB-BYNJWEBRSA-N
HMDB41180,582.428424966,C37H58O5,CCCCCCCC\C=C\CCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O,"InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3/b14-13+,31-25+",UJSYMVCGDZCLIO,DILIWIBYSA,N,Hericene B,UJSYMVCGDZCLIO-DILIWIBYSA-N
HMDB41181,584.44407503,C37H60O5,CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O,"InChI=1S/C37H60O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h22,25,27-28,40H,6-21,23-24,26,29H2,1-5H3/b31-25+",MUPDKCFZUFURPT,QCKNELIISA,N,Hericene C,MUPDKCFZUFURPT-QCKNELIISA-N
HMDB41182,1720.16280352,C75H52O48,OC1OC2COC(=O)C3=C(C(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(=O)OC4C(OC(=O)C5=CC=C(O)C(O)=C5O)OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C=C6C(=O)OC5C4OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC12,"InChI=1S/C75H52O48/c76-23-2-1-15(41(85)43(23)87)68(105)123-75-64(62(119-65(102)14-3-24(77)42(86)25(78)4-14)60-34(116-75)13-113-66(103)16-5-26(79)44(88)51(95)35(16)36-17(70(107)118-60)6-27(80)45(89)52(36)96)122-73(110)22-10-31(84)49(93)57(101)58(22)114-32-11-21-40(56(100)50(32)94)39-18(7-28(81)48(92)55(39)99)69(106)117-59-33(12-112-67(21)104)115-74(111)63-61(59)120-71(108)19-8-29(82)46(90)53(97)37(19)38-20(72(109)121-63)9-30(83)47(91)54(38)98/h1-11,33-34,59-64,74-101,111H,12-13H2",HIEPWSQQWGRZIO,UHFFFAOYSA,N,Camellioferin A,HIEPWSQQWGRZIO-UHFFFAOYSA-N
HMDB41183,458.375995466,C30H50O3,CC(=C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C12,"InChI=1S/C30H50O3/c1-18(2)19-10-13-30(17-31)15-14-28(6)20(24(19)30)8-9-23-27(5)16-21(32)25(33)26(3,4)22(27)11-12-29(23,28)7/h19-25,31-33H,1,8-17H2,2-7H3",YTLCVRQYWKFDSE,UHFFFAOYSA,N,"(2alpha,3beta)-20(29)-Lupene-2,3,28-triol",YTLCVRQYWKFDSE-UHFFFAOYSA-N
HMDB41184,934.83532663,C62H110O5,CCCCCCCCCCCCCCCC(=O)OCC12CCC(C1C1CCC3C4(C)CC(O)C(OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C4CCC3(C)C1(C)CC2)C(C)=C,"InChI=1S/C62H110O5/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-36-54(64)66-47-62-43-40-49(48(3)4)56(62)50-38-39-53-59(7)46-51(63)57(58(5,6)52(59)41-42-61(53,9)60(50,8)44-45-62)67-55(65)37-35-33-31-29-27-25-23-21-19-17-15-13-11-2/h49-53,56-57,63H,3,10-47H2,1-2,4-9H3",RHHIAWXSQKGCMB,UHFFFAOYSA,N,"3,28-Dihexadecanoyl 20(29)-lupene-2a,3b,28-triol",RHHIAWXSQKGCMB-UHFFFAOYSA-N
HMDB41185,766.413956692,C40H62O14,CC1C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3OC(C)=O)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C40H62O14/c1-18-6-11-40(50-15-18)19(2)30-28(54-40)14-24-22-13-26(42)25-12-21(7-9-38(25,4)23(22)8-10-39(24,30)5)52-36-34(47)33(46)32(45)29(53-36)17-49-37-35(51-20(3)41)31(44)27(43)16-48-37/h18-19,21-25,27-37,43-47H,6-17H2,1-5H3",LYOWCAVVHJOCKI,UHFFFAOYSA,N,"(3b,5a,25R)-3-Hydroxyspirostan-6-one 3-[2-acetylarabinosyl-(1->6)-glucoside]",LYOWCAVVHJOCKI-UHFFFAOYSA-N
HMDB41186,264.120902994,C11H20O7,C\C(COC1OC(CO)C(O)C(O)C1O)=C\CO,"InChI=1S/C11H20O7/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-16H,3-5H2,1H3/b6-2-",CCMAOVDWTXGECN,KXFIGUGUSA,N,Ilicifolinoside A,CCMAOVDWTXGECN-KXFIGUGUSA-N
HMDB41187,264.120902994,C11H20O7,C\C(CO)=C\COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C11H20O7/c1-6(4-12)2-3-17-11-10(16)9(15)8(14)7(5-13)18-11/h2,7-16H,3-5H2,1H3/b6-2-",MTNPSFBFGZMJPZ,KXFIGUGUSA,N,"(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside",MTNPSFBFGZMJPZ-KXFIGUGUSA-N
HMDB41188,249.946191568,C4H10O4S4,CS(=O)(=O)CSSCS(C)(=O)=O,"InChI=1S/C4H10O4S4/c1-11(5,6)3-9-10-4-12(2,7)8/h3-4H2,1-2H3",IOXAYNQOZILPBK,UHFFFAOYSA,N,Bis(methylsulfonylmethyl) disulfide,IOXAYNQOZILPBK-UHFFFAOYSA-N
HMDB41189,346.126382302,C15H22O9,COC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1OC,"InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3",NBLLRWANAFOKON,UHFFFAOYSA,N,"3,4,5-Trimethoxyphenyl glucoside",NBLLRWANAFOKON-UHFFFAOYSA-N
HMDB41190,402.152597052,C18H26O10,OC1COC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",WOGBNISMMIOPAZ,UHFFFAOYSA,N,Benzyl beta-primeveroside,WOGBNISMMIOPAZ-UHFFFAOYSA-N
HMDB41191,338.100167552,C16H18O8,OCC1OC(OC2=CC=CC3=C(O)C=CC(O)=C23)C(O)C(O)C1O,"InChI=1S/C16H18O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-3-1-2-7-8(18)4-5-9(19)12(7)10/h1-5,11,13-22H,6H2",PUKLOSMRXIAWPE,UHFFFAOYSA,N,Hydrojuglone glucoside,PUKLOSMRXIAWPE-UHFFFAOYSA-N
HMDB41192,260.104859,C15H16O4,COC1=C2C=CC(=O)OC2=CC2=C1CCC(C)(C)O2,"InChI=1S/C15H16O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-5,8H,6-7H2,1-3H3",HJUDWPJIBKIYQS,UHFFFAOYSA,N,Kanzonol Q,HJUDWPJIBKIYQS-UHFFFAOYSA-N
HMDB41193,368.162373878,C22H24O5,COC1=CC2=C(C3OC4=C(C=CC(O)=C4)C3CO2)C(OC)=C1CC=C(C)C,"InChI=1S/C22H24O5/c1-12(2)5-7-15-17(24-3)10-19-20(21(15)25-4)22-16(11-26-19)14-8-6-13(23)9-18(14)27-22/h5-6,8-10,16,22-23H,7,11H2,1-4H3",ZCGOJWAIXQAUMW,UHFFFAOYSA,N,Kanzonol P,ZCGOJWAIXQAUMW-UHFFFAOYSA-N
HMDB41194,194.094294314,C11H14O3,COC1=CC(CC=C)=CC(OC)=C1O,"InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3",FWMPKHMKIJDEMJ,UHFFFAOYSA,N,Methoxyeugenol,FWMPKHMKIJDEMJ-UHFFFAOYSA-N
HMDB41195,252.063388116,C12H12O6,OCC(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C12H12O6/c13-7-10(12(16)17)18-11(15)6-3-8-1-4-9(14)5-2-8/h1-6,10,13-14H,7H2,(H,16,17)/b6-3+",UYRFKSDZFBCTMU,ZZXKWVIFSA,N,2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid,UYRFKSDZFBCTMU-ZZXKWVIFSA-N
HMDB41196,360.120902994,C19H20O7,CCC(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(C)=O,"InChI=1S/C19H20O7/c1-5-13(21)24-17-15-12(23-18(17)19(3,4)26-10(2)20)8-6-11-7-9-14(22)25-16(11)15/h6-9,17-18H,5H2,1-4H3",YPBNKPNGOBYSJH,UHFFFAOYSA,N,Edulisin IV,YPBNKPNGOBYSJH-UHFFFAOYSA-N
HMDB41197,388.152203122,C21H24O7,CCC(C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(C)=O,"InChI=1S/C21H24O7/c1-6-11(2)20(24)27-18-16-14(25-19(18)21(4,5)28-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3",UBLBUWKMSDCDLT,UHFFFAOYSA,N,Edulisin III,UBLBUWKMSDCDLT-UHFFFAOYSA-N
HMDB41198,428.18350325,C24H28O7,CCC(C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)C(\C)=C/C,"InChI=1S/C24H28O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h8-13,20-21H,7H2,1-6H3/b14-8-",OQNKRWQPITVLBZ,ZSOIEALJSA,N,Edulisin V,OQNKRWQPITVLBZ-ZSOIEALJSA-N
HMDB41199,576.147905604,C27H28O14,CC(O)(CC(O)=O)CC(=O)OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=C(O)C=C1,"InChI=1S/C27H28O14/c1-27(38,8-18(32)33)9-19(34)39-10-17-22(35)23(36)24(37)26(41-17)21-14(30)6-13(29)20-15(31)7-16(40-25(20)21)11-2-4-12(28)5-3-11/h2-7,17,22-24,26,28-30,35-38H,8-10H2,1H3,(H,32,33)",FUKCNWJCRSRWIJ,UHFFFAOYSA,N,Vitexin 6''-(3-hydroxy-3-methylglutarate),FUKCNWJCRSRWIJ-UHFFFAOYSA-N
HMDB41200,278.069142196,C16H10N2O3,OC(=O)C1=NC(C2=CC=CO2)=C2NC3=CC=CC=C3C2=C1,"InChI=1S/C16H10N2O3/c19-16(20)12-8-10-9-4-1-2-5-11(9)17-14(10)15(18-12)13-6-3-7-21-13/h1-8,17H,(H,19,20)",LTTIWDNLMMLJOI,UHFFFAOYSA,N,Dehydroxymethylflazine,LTTIWDNLMMLJOI-UHFFFAOYSA-N
HMDB41201,276.172544634,C17H24O3,CCCCCCCC1OC1CC#CC#CC(=O)CCO,"InChI=1S/C17H24O3/c1-2-3-4-5-8-11-16-17(20-16)12-9-6-7-10-15(19)13-14-18/h16-18H,2-5,8,11-14H2,1H3",XEUPFPHHPCQXFV,UHFFFAOYSA,N,Panaquinquecol 7,XEUPFPHHPCQXFV-UHFFFAOYSA-N
HMDB41202,794.52139865,C41H78O12S,CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(O)(=O)=O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)",RVUUQPKXGDTQPG,UHFFFAOYSA,N,"1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol",RVUUQPKXGDTQPG-UHFFFAOYSA-N
HMDB41203,520.39164553,C35H52O3,CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC(C=C)C#CC#CCC1OC1CCCCCC=C,"InChI=1S/C35H52O3/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-31-35(36)37-32(6-3)28-24-23-26-30-34-33(38-34)29-25-21-10-8-5-2/h5-6,12-13,15-16,32-34H,2-4,7-11,14,17-22,25,27,29-31H2,1H3/b13-12+,16-15+",BFPKTKVUPNVZLI,XUPYMNJSSA,N,Ginsenoyne A linoleate,BFPKTKVUPNVZLI-XUPYMNJSSA-N
HMDB41204,302.188194698,C19H26O3,CCCCCCCC1OC1CC#CC#CC(OC(C)=O)C=C,"InChI=1S/C19H26O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h5,17-19H,2,4,6-8,11,14-15H2,1,3H3",TZXIQFAHBPZOMM,UHFFFAOYSA,N,Acetylpanaxydol,TZXIQFAHBPZOMM-UHFFFAOYSA-N
HMDB41205,522.407295594,C35H54O3,CCCCCCCC1OC1CC#CC#CC(OC(=O)CCCCCCC\C=C\C\C=C\CCCCC)C=C,"InChI=1S/C35H54O3/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-31-35(36)37-32(6-3)28-24-23-26-30-34-33(38-34)29-25-21-10-8-5-2/h6,12-13,15-16,32-34H,3-5,7-11,14,17-22,25,27,29-31H2,1-2H3/b13-12+,16-15+",MGQITZGZKLABCX,XUPYMNJSSA,N,Panaxydol linoleate,MGQITZGZKLABCX-XUPYMNJSSA-N
HMDB41206,370.250794954,C24H34O3,CC\C=C/C\C=C\C\C=C\CCCCCCCC1=C(C(O)=O)C(O)=CC=C1,"InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3-,7-6+,10-9+",MBYMHCHZLAJVRK,YSFKBSJESA,N,Antibiotic SB 202742,MBYMHCHZLAJVRK-YSFKBSJESA-N
HMDB41207,347.121631275,C14H21NO9,OCC1OC(OC2CC(O)C(O)C(O)\C2=C/C#N)C(O)C(O)C1O,"InChI=1S/C14H21NO9/c15-2-1-5-7(3-6(17)10(19)9(5)18)23-14-13(22)12(21)11(20)8(4-16)24-14/h1,6-14,16-22H,3-4H2/b5-1-",MRQYIJOEUFLPMV,KTAJNNJTSA,N,Dide-O-methylsimmondsin,MRQYIJOEUFLPMV-KTAJNNJTSA-N
HMDB41208,361.137281339,C15H23NO9,COC1C(O)CC(OC2OC(CO)C(O)C(O)C2O)\C(=C\C#N)C1O,"InChI=1S/C15H23NO9/c1-23-14-7(18)4-8(6(2-3-16)10(14)19)24-15-13(22)12(21)11(20)9(5-17)25-15/h2,7-15,17-22H,4-5H2,1H3/b6-2-",SDYUFOBSNZFKRM,KXFIGUGUSA,N,De-O-methylsimmondsin,SDYUFOBSNZFKRM-KXFIGUGUSA-N
HMDB41209,532.15807636,C26H28O12,OCC1OC(OC2=CC3=C(OCO3)C=C2C2OCC3C2COC3C2=CC3=C(OCO3)C=C2)C(O)C(O)C1O,"InChI=1S/C26H28O12/c27-6-20-21(28)22(29)23(30)26(38-20)37-16-5-19-18(35-10-36-19)4-12(16)25-14-8-31-24(13(14)7-32-25)11-1-2-15-17(3-11)34-9-33-15/h1-5,13-14,20-30H,6-10H2",HVDZWQPYIXKSCL,UHFFFAOYSA,N,Sesaminol glucoside,HVDZWQPYIXKSCL-UHFFFAOYSA-N
HMDB41210,694.21089979,C32H38O17,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC3=C(OCO3)C=C2C2OCC3C2COC3C2=CC3=C(OCO3)C=C2)C(O)C(O)C1O,"InChI=1S/C32H38O17/c33-6-21-23(35)25(37)27(39)31(47-21)49-30-26(38)24(36)22(7-34)48-32(30)46-17-5-20-19(44-11-45-20)4-13(17)29-15-9-40-28(14(15)8-41-29)12-1-2-16-18(3-12)43-10-42-16/h1-5,14-15,21-39H,6-11H2",TUTPGZDOPYRLSX,UHFFFAOYSA,N,Sesaminol glucosyl-(1->2)-glucoside,TUTPGZDOPYRLSX-UHFFFAOYSA-N
HMDB41211,856.26372322,C38H48O22,OCC1OC(OCC2OC(OC3=CC4=C(OCO4)C=C3C3OCC4C3COC4C3=CC4=C(OCO4)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C38H48O22/c39-6-22-25(41)28(44)31(47)36(57-22)51-10-24-27(43)30(46)35(60-37-32(48)29(45)26(42)23(7-40)58-37)38(59-24)56-18-5-21-20(54-12-55-21)4-14(18)34-16-9-49-33(15(16)8-50-34)13-1-2-17-19(3-13)53-11-52-17/h1-5,15-16,22-48H,6-12H2",IJZGFTCXUSMUHI,UHFFFAOYSA,N,Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside,IJZGFTCXUSMUHI-UHFFFAOYSA-N
HMDB41212,436.188588628,C26H28O6,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C(=CO2)C1=C(O)C(CC=C(C)C)=C(O)C=C1,"InChI=1S/C26H28O6/c1-14(2)6-8-17-20(27)11-10-16(24(17)28)19-13-32-22-12-21(31-5)18(9-7-15(3)4)25(29)23(22)26(19)30/h6-7,10-13,27-29H,8-9H2,1-5H3",UWUOGPWSIVRQNM,UHFFFAOYSA,N,Kanzonol K,UWUOGPWSIVRQNM-UHFFFAOYSA-N
HMDB41213,594.449554338,C35H62O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCC(=O)CCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-16-21-31(38)33-23-24-34(42-33)32(39)22-17-20-29(36)18-14-12-13-15-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3",VYMYUDBNVNOBII,UHFFFAOYSA,N,Reticulacinone,VYMYUDBNVNOBII-UHFFFAOYSA-N
HMDB41214,444.10564686,C22H20O10,COC1=C2C(=O)C(=COC2=CC2=C1OCO2)C1=CC=CC=C1OC1OCC(O)C(O)C1O,"InChI=1S/C22H20O10/c1-27-21-16-14(6-15-20(21)31-9-30-15)28-7-11(17(16)24)10-4-2-3-5-13(10)32-22-19(26)18(25)12(23)8-29-22/h2-7,12,18-19,22-23,25-26H,8-9H2,1H3",BKTIRNZJQRNCKX,UHFFFAOYSA,N,Betavulgarin xyloside,BKTIRNZJQRNCKX-UHFFFAOYSA-N
HMDB41215,474.116211546,C23H22O11,COC1=C2C(=O)C(=COC2=CC2=C1OCO2)C1=CC=CC=C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C23H22O11/c1-29-22-16-13(6-14-21(22)32-9-31-14)30-8-11(17(16)25)10-4-2-3-5-12(10)33-23-20(28)19(27)18(26)15(7-24)34-23/h2-6,8,15,18-20,23-24,26-28H,7,9H2,1H3",OJVQRMQOMTVQTL,UHFFFAOYSA,N,Betavulgarin glucoside,OJVQRMQOMTVQTL-UHFFFAOYSA-N
HMDB41216,172.146329884,C10H20O2,CC(C)(O)CCCC(C)(O)C=C,"InChI=1S/C10H20O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5,11-12H,1,6-8H2,2-4H3",SRPFYGUVQUDURC,UHFFFAOYSA,N,"2,6-Dimethyl-7-octene-2,6-diol",SRPFYGUVQUDURC-UHFFFAOYSA-N
HMDB41217,390.18310932,C25H26O4,CC(C)=CCC1=CC(=CC=C1O)C1CC(=O)C2=C(O1)C1=C(OC(C)(C)C=C1)C=C2,"InChI=1S/C25H26O4/c1-15(2)5-6-16-13-17(7-9-20(16)26)23-14-21(27)18-8-10-22-19(24(18)28-23)11-12-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3",NEIURIYDQMKXIG,UHFFFAOYSA,N,Shinflavanone,NEIURIYDQMKXIG-UHFFFAOYSA-N
HMDB41218,152.15650064,C11H20,CCCCC\C=C/CCC=C,"InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,9,11H,1,4-8,10H2,2H3/b11-9-",RVJZHJPKLYEVOX,LUAWRHEFSA,N,"(Z)-1,5-Undecadiene",RVJZHJPKLYEVOX-LUAWRHEFSA-N
HMDB41219,188.083729628,C12H12O2,C=CCOC(=O)\C=C/C1=CC=CC=C1,"InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8-",KCMITHMNVLRGJU,HJWRWDBZSA,N,Allyl cinnamate,KCMITHMNVLRGJU-HJWRWDBZSA-N
HMDB41220,314.245709576,C18H34O4,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,"InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3",PYGXAGIECVVIOZ,UHFFFAOYSA,N,Dibutyl decanedioate,PYGXAGIECVVIOZ-UHFFFAOYSA-N
HMDB41221,428.152990982,C16H28O13,CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O,"InChI=1S/C16H28O13/c1-4-12(28-15-10(22)7(19)5(17)3-26-15)9(21)11(23)16(27-4)29-13-8(20)6(18)2-25-14(13)24/h4-24H,2-3H2,1H3",YRPDOTZSNIEQMF,UHFFFAOYSA,N,b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-L-arabinose,YRPDOTZSNIEQMF-UHFFFAOYSA-N
HMDB41222,458.163555668,C17H30O14,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)OCC(O)C2O)C(O)C(O)C1O,"InChI=1S/C17H30O14/c1-4-7(20)10(23)12(25)16(28-4)31-14-11(24)9(22)6(2-18)29-17(14)30-13-8(21)5(19)3-27-15(13)26/h4-26H,2-3H2,1H3",DPTWUYFOEZBIEX,UHFFFAOYSA,N,a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose,DPTWUYFOEZBIEX-UHFFFAOYSA-N
HMDB41223,414.137340918,C15H26O13,OCC1OC(OCC2OC(O)C(O)C2OC2OC(CO)C(O)C2O)C(O)C1O,"InChI=1S/C15H26O13/c16-1-4-7(18)9(20)14(26-4)24-3-6-12(11(22)13(23)25-6)28-15-10(21)8(19)5(2-17)27-15/h4-23H,1-3H2",FHLVHZWPBBNFQR,UHFFFAOYSA,N,a-L-Arabinofuranosyl-(1->3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinose,FHLVHZWPBBNFQR-UHFFFAOYSA-N
HMDB41224,503.185019391,C18H33NO15,NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OCC1OC(O)C(O)C(O)C1O,"InChI=1S/C18H33NO15/c19-7-10(24)15(34-18-14(28)12(26)8(22)4(1-20)32-18)5(2-21)33-17(7)30-3-6-9(23)11(25)13(27)16(29)31-6/h4-18,20-29H,1-3,19H2",GSVMXPZDCHWGCZ,UHFFFAOYSA,N,beta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose,GSVMXPZDCHWGCZ-UHFFFAOYSA-N
HMDB41225,442.168641046,C17H30O13,CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O,"InChI=1S/C17H30O13/c1-4-7(19)9(21)14(15(25)27-4)30-17-12(24)10(22)13(5(2)28-17)29-16-11(23)8(20)6(18)3-26-16/h4-25H,3H2,1-2H3",UQYIWBRIELHTMI,UHFFFAOYSA,N,b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-D-fucose,UQYIWBRIELHTMI-UHFFFAOYSA-N
HMDB41226,364.188588628,C20H28O6,C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2C(O)C2CCC(O)C(C)C12C,"InChI=1S/C20H28O6/c1-6-9(2)18(23)26-17-14-10(3)19(24)25-16(14)15(22)12-7-8-13(21)11(4)20(12,17)5/h6,11-13,15-17,21-22H,7-8H2,1-5H3/b9-6+",CEFVJFNDUOLSEQ,RMKNXTFCSA,N,"3b,9b-Dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide",CEFVJFNDUOLSEQ-RMKNXTFCSA-N
HMDB41227,264.136159128,C15H20O4,CC1C(=O)CCC2CC3(O)OC(=O)C(C)=C3CC12C,"InChI=1S/C15H20O4/c1-8-11-7-14(3)9(2)12(16)5-4-10(14)6-15(11,18)19-13(8)17/h9-10,18H,4-7H2,1-3H3",AQAVKEZEFHFROC,UHFFFAOYSA,N,"(8betaOH,10beta)-8-Hydroxy-3-oxo-7(11)-eremophilen-12,8-olide",AQAVKEZEFHFROC-UHFFFAOYSA-N
HMDB41228,380.18350325,C20H28O7,C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2(O)C(O)C2CCC(O)C(C)C12C,"InChI=1S/C20H28O7/c1-6-9(2)17(23)26-16-14-10(3)18(24)27-20(14,25)15(22)12-7-8-13(21)11(4)19(12,16)5/h6,11-13,15-16,21-22,25H,7-8H2,1-5H3/b9-6+",MSDFIROCDXOIAM,RMKNXTFCSA,N,"6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide",MSDFIROCDXOIAM-RMKNXTFCSA-N
HMDB41229,280.167459256,C16H24O4,COC(=O)C(C)C1=CC2(C)C(C)C(O)CCC2CC1=O,"InChI=1S/C16H24O4/c1-9(15(19)20-4)12-8-16(3)10(2)13(17)6-5-11(16)7-14(12)18/h8-11,13,17H,5-7H2,1-4H3",IVWXOXMSDQFMDV,UHFFFAOYSA,N,"Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate",IVWXOXMSDQFMDV-UHFFFAOYSA-N
HMDB41230,940.466780122,C47H72O19,CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(=C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C)OC(C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C47H72O19/c1-19-10-13-47(42(60)66-40-32(55)30(53)28(51)24(18-48)62-40)15-14-45(6)21(22(47)16-19)8-9-26-44(5)17-23(49)37(43(3,4)25(44)11-12-46(26,45)7)65-41-34(57)35(33(56)36(64-41)38(58)59)63-39-31(54)29(52)27(50)20(2)61-39/h8,20,22-37,39-41,48-57H,1,9-18H2,2-7H3,(H,58,59)",TZCDWUQFJLHHQX,UHFFFAOYSA,N,Amaranthussaponin III,TZCDWUQFJLHHQX-UHFFFAOYSA-N
HMDB41231,378.167853186,C20H26O7,CC1(CC(O)CC2(C=O)C3CCC4(O)CC3(CC4=C)C(C12)C(O)=O)C(O)=O,"InChI=1S/C20H26O7/c1-10-5-18-8-20(10,27)4-3-12(18)19(9-21)7-11(22)6-17(2,16(25)26)14(19)13(18)15(23)24/h9,11-14,22,27H,1,3-8H2,2H3,(H,23,24)(H,25,26)",CUTYINBLQKKDCO,UHFFFAOYSA,N,Gibberellin A99,CUTYINBLQKKDCO-UHFFFAOYSA-N
HMDB41232,682.174514284,C30H34O18,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(OC1OC(CO)C(O)C(O)C1OC1OC(COC(C)=O)C(O)C(O)C1O)C=C2O,"InChI=1S/C30H34O18/c1-10(32)43-9-19-22(37)24(39)26(41)29(47-19)48-28-25(40)21(36)18(8-31)46-30(28)45-17-7-14(35)20-13(34)6-16(44-27(20)23(17)38)11-3-4-15(42-2)12(33)5-11/h3-7,18-19,21-22,24-26,28-31,33,35-41H,8-9H2,1-2H3",LORXOTCKKVEWGS,UHFFFAOYSA,N,8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->2)-glucoside],LORXOTCKKVEWGS-UHFFFAOYSA-N
HMDB41233,750.455427576,C41H66O12,C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O,"InChI=1S/C41H66O12/c1-20-10-15-41(36(48)49)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)53-34-32(46)30(44)24(19-50-34)52-35-33(47)31(45)29(43)23(18-42)51-35/h8,20-21,23-35,42-47H,9-19H2,1-7H3,(H,48,49)/t20-,21+,23-,24-,25?,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1",HGUUEBLQXKUYIA,XQMBFJMNSA,N,Ursolic acid 3-[glucosyl-(1->4)-xyloside],HGUUEBLQXKUYIA-XQMBFJMNSA-N
HMDB41234,316.094688244,C17H16O6,COC1=CC(O)=C(C=C1)C1CC(=O)C2=C(O)C=C(OC)C=C2O1,"InChI=1S/C17H16O6/c1-21-9-3-4-11(12(18)5-9)15-8-14(20)17-13(19)6-10(22-2)7-16(17)23-15/h3-7,15,18-19H,8H2,1-2H3",SNKAPDDRKJEOFE,UHFFFAOYSA,N,Artocarpanone A,SNKAPDDRKJEOFE-UHFFFAOYSA-N
HMDB41235,606.15847029,C28H30O15,CC(=O)OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1,"InChI=1S/C28H30O15/c1-9(29)40-8-15-20(34)23(37)25(39)28(43-15)18-22(36)17(27-24(38)19(33)13(32)7-41-27)21(35)16-12(31)6-14(42-26(16)18)10-2-4-11(30)5-3-10/h2-6,13,15,19-20,23-25,27-28,30,32-39H,7-8H2,1H3",AIQCDEJOKQHKMO,UHFFFAOYSA,N,6''-O-Acetylvicenin 1,AIQCDEJOKQHKMO-UHFFFAOYSA-N
HMDB41236,380.125988372,C22H20O6,COC1=C2C(=O)C(OC)=C(OC2=C2C=CC(C)(C)OC2=C1)C1=CC=C(O)C=C1,"InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16(25-3)17-18(24)21(26-4)19(27-20(14)17)12-5-7-13(23)8-6-12/h5-11,23H,1-4H3",VNNMTQJSNKAONW,UHFFFAOYSA,N,"2-(4-Hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one",VNNMTQJSNKAONW-UHFFFAOYSA-N
HMDB41237,956.49808025,C48H76O19,CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C)OC(C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C48H76O19/c1-20-27(51)29(53)31(55)39(62-20)64-35-33(57)36(38(59)60)65-41(34(35)58)66-37-23(50)18-45(6)25(44(37,4)5)11-12-47(8)26(45)10-9-21-22-17-43(2,3)13-15-48(22,16-14-46(21,47)7)42(61)67-40-32(56)30(54)28(52)24(19-49)63-40/h9,20,22-37,39-41,49-58H,10-19H2,1-8H3,(H,59,60)",ITPLQPXCONKMAX,UHFFFAOYSA,N,Amaranthussaponin I,ITPLQPXCONKMAX-UHFFFAOYSA-N
HMDB41238,438.116211546,C20H22O11,OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C20H22O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15-28H,6H2",YISJRMFABYGQSX,UHFFFAOYSA,N,Loquatoside,YISJRMFABYGQSX-UHFFFAOYSA-N
HMDB41239,578.142426296,C30H26O12,OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O,"InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2",GMISZFQPFDAPGI,UHFFFAOYSA,N,ent-Epicatechin-(4alpha->6)-ent-epicatechin,GMISZFQPFDAPGI-UHFFFAOYSA-N
HMDB41240,812.455821506,C42H68O15,CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1O,"InChI=1S/C42H68O15/c1-37(2)16-20-19-8-9-23-39(4)12-11-24(40(5,18-44)22(39)10-13-42(23,7)41(19,6)15-14-38(20,3)33(51)32(37)50)55-36-31(28(48)27(47)30(56-36)34(52)53)57-35-29(49)26(46)25(45)21(17-43)54-35/h8,20-33,35-36,43-51H,9-18H2,1-7H3,(H,52,53)",TWUOPSPDYDPTLF,UHFFFAOYSA,N,Kudzusaponin SA1,TWUOPSPDYDPTLF-UHFFFAOYSA-N
HMDB41241,944.49808025,C47H76O19,CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C1O,"InChI=1S/C47H76O19/c1-42(2)16-21-20-8-9-25-44(4)12-11-26(63-41-35(31(55)30(54)34(64-41)38(59)60)65-40-33(57)29(53)28(52)23(17-48)62-40)45(5,19-49)24(44)10-13-47(25,7)46(20,6)15-14-43(21,3)37(36(42)58)66-39-32(56)27(51)22(50)18-61-39/h8,21-37,39-41,48-58H,9-19H2,1-7H3,(H,59,60)",SIODGEACWMQOFA,UHFFFAOYSA,N,Kudzusaponin SA2,SIODGEACWMQOFA-UHFFFAOYSA-N
HMDB41242,1090.555989058,C53H86O23,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)C(OC6OCC(O)C(O)C6O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O,"InChI=1S/C53H86O23/c1-21-29(57)32(60)37(65)45(70-21)74-39-33(61)31(59)25(18-54)71-46(39)75-40-35(63)34(62)38(43(67)68)73-47(40)72-28-12-13-50(5)26(51(28,6)20-55)11-14-53(8)27(50)10-9-22-23-17-48(2,3)41(66)42(49(23,4)15-16-52(22,53)7)76-44-36(64)30(58)24(56)19-69-44/h9,21,23-42,44-47,54-66H,10-20H2,1-8H3,(H,67,68)",CYENWVJHJXHASB,UHFFFAOYSA,N,Kudzusaponin SA3,CYENWVJHJXHASB-UHFFFAOYSA-N
HMDB41243,274.047738052,C14H10O6,COC1=C(O)C=CC2=C1OC1=CC(O)=CC(O)=C1C2=O,"InChI=1S/C14H10O6/c1-19-14-8(16)3-2-7-12(18)11-9(17)4-6(15)5-10(11)20-13(7)14/h2-5,15-17H,1H3",OIDDYVZHNYQRKQ,UHFFFAOYSA,N,"1,3,6-Trihydroxy-5-methoxyxanthone",OIDDYVZHNYQRKQ-UHFFFAOYSA-N
HMDB41244,942.518815692,C48H78O18,CC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC65C)C4(C)CO)OC3C(O)=O)OC2CO)C(O)C(O)C1O,"InChI=1S/C48H78O18/c1-21-29(52)30(53)33(56)40(61-21)64-36-24(19-49)62-41(34(57)31(36)54)65-37-32(55)35(58)42(66-38(37)39(59)60)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)",XFTMGQAHMHIDIN,UHFFFAOYSA,N,Soyasapogenol B 3-O-[a-L-rhamnosyl-(1->4)-b-D-galactosyl-(1->4)-b-D-glucuronide],XFTMGQAHMHIDIN-UHFFFAOYSA-N
HMDB41245,295.120843415,C18H17NO3,CC(C)=CCC1=C2NC3=C(C=CC(O)=C3)C2=CC(C=O)=C1O,"InChI=1S/C18H17NO3/c1-10(2)3-5-14-17-15(7-11(9-20)18(14)22)13-6-4-12(21)8-16(13)19-17/h3-4,6-9,19,21-22H,5H2,1-2H3",NRWURNOYKGONNZ,UHFFFAOYSA,N,7-Hydroxyheptaphylline,NRWURNOYKGONNZ-UHFFFAOYSA-N
HMDB41246,652.278466266,C38H40N2O8,COC1=C(OC2=CC=C(C=O)C=C2)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C(OC4=C(OC)C=C5CCN(C)C(=O)C5=C4)=C23)C=C1,"InChI=1S/C38H40N2O8/c1-39-15-14-26-20-34(45-5)36(46-6)37(48-33-21-28-25(19-31(33)44-4)13-16-40(2)38(28)42)35(26)29(39)17-24-9-12-30(43-3)32(18-24)47-27-10-7-23(22-41)8-11-27/h7-12,18-22,29H,13-17H2,1-6H3",RMEYIAJCROYLDU,UHFFFAOYSA,N,Secoisotetrandrine,RMEYIAJCROYLDU-UHFFFAOYSA-N
HMDB41247,341.08187109,C19H16ClNO3,CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(=C)CCl)C=C2O,"InChI=1S/C19H16ClNO3/c1-10(9-20)15-7-12-16(24-15)8-14(22)17-18(12)21(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,22H,1,7,9H2,2H3",WVAGDJQCWBNFRK,UHFFFAOYSA,N,Alkaloid A6,WVAGDJQCWBNFRK-UHFFFAOYSA-N
HMDB41248,325.225308485,C18H31NO4,CC\C=C\CC1C(O)CCC1CC(=O)NC(C(C)CC)C(O)=O,"InChI=1S/C18H31NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-15,17,20H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6+",SJUZAQZEDDCWNC,VOTSOKGWSA,N,N-[[3-Hydroxy-2-(2-pentenyl)cyclopentyl]acetyl]isoleucine,SJUZAQZEDDCWNC-VOTSOKGWSA-N
HMDB41249,292.167459256,C17H24O4,CCCCC(O)\C=C\C(=O)CCC1=CC(OC)=C(O)C=C1,"InChI=1S/C17H24O4/c1-3-4-5-14(18)9-10-15(19)8-6-13-7-11-16(20)17(12-13)21-2/h7,9-12,14,18,20H,3-6,8H2,1-2H3/b10-9+",SEWFXECKZBLANJ,MDZDMXLPSA,N,6-Hydroxyshogaol,SEWFXECKZBLANJ-MDZDMXLPSA-N
HMDB41250,246.161979948,C16H22O2,CCCCC\C=C\C(=O)CCC1=CC=C(O)C=C1,"InChI=1S/C16H22O2/c1-2-3-4-5-6-7-15(17)11-8-14-9-12-16(18)13-10-14/h6-7,9-10,12-13,18H,2-5,8,11H2,1H3/b7-6+",SPJVWQSNXPEUKK,VOTSOKGWSA,N,Demethoxyshogaol,SPJVWQSNXPEUKK-VOTSOKGWSA-N
HMDB41251,340.13107375,C20H20O5,COC1=CC=CC2=C1OC1=C(C(O)=C(CC=C(C)C)C(OC)=C1)C2=O,"InChI=1S/C20H20O5/c1-11(2)8-9-12-15(24-4)10-16-17(18(12)21)19(22)13-6-5-7-14(23-3)20(13)25-16/h5-8,10,21H,9H2,1-4H3",ADQOAYRZNAECHD,UHFFFAOYSA,N,"1-Hydroxy-3,5-dimethoxy-2-prenylxanthone",ADQOAYRZNAECHD-UHFFFAOYSA-N
HMDB41252,136.100048394,C8H12N2,CCCC1=C(C)N=CC=N1,"InChI=1S/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3",XAWKNALRUSOTOY,UHFFFAOYSA,N,2-Methyl-3-propylpyrazine,XAWKNALRUSOTOY-UHFFFAOYSA-N
HMDB41253,136.100048394,C8H12N2,CCC1=C(CC)N=CC=N1,"InChI=1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3",GZXXANJCCWGCSV,UHFFFAOYSA,N,"2,3-Diethylpyrazine",GZXXANJCCWGCSV-UHFFFAOYSA-N
HMDB41254,122.08439833,C7H10N2,CCC1=C(C)N=CC=N1,"InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3",LNIMMWYNSBZESE,UHFFFAOYSA,N,"2-Ethyl-3-methylpyrazine, 9CI",LNIMMWYNSBZESE-UHFFFAOYSA-N
HMDB41255,368.168247116,C15H28O10,CCC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C15H28O10/c1-3-7(2)24-13-11(19)10(18)9(17)8(25-13)4-22-14-12(20)15(21,5-16)6-23-14/h7-14,16-21H,3-6H2,1-2H3",DANFNCOJRRFMIO,UHFFFAOYSA,N,(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside],DANFNCOJRRFMIO-UHFFFAOYSA-N
HMDB41256,414.167853186,C23H26O7,COC1=CC(OC)=C(C2CC(=O)C3=C(O)C=C(O)C(CC=C(C)C)=C3O2)C(OC)=C1,"InChI=1S/C23H26O7/c1-12(2)6-7-14-15(24)10-16(25)21-17(26)11-20(30-23(14)21)22-18(28-4)8-13(27-3)9-19(22)29-5/h6,8-10,20,24-25H,7,11H2,1-5H3",LKUWYFZLCAUAGB,UHFFFAOYSA,N,Heteroflavanone C,LKUWYFZLCAUAGB-UHFFFAOYSA-N
HMDB41257,402.095082174,C20H18O9,COC1=C2OCOC2=CC(=C1)C1=C(O)C(=O)C2=C(O1)C(OC)=C(OC)C=C2OC,"InChI=1S/C20H18O9/c1-23-10-7-12(25-3)19(26-4)20-14(10)15(21)16(22)17(29-20)9-5-11(24-2)18-13(6-9)27-8-28-18/h5-7,22H,8H2,1-4H3",ADHJMNNFIWLSBG,UHFFFAOYSA,N,"5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone",ADHJMNNFIWLSBG-UHFFFAOYSA-N
HMDB41258,436.100561482,C20H20O11,COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C1,"InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3",HDPSXKXQSOVYLL,UHFFFAOYSA,N,Homomangiferin,HDPSXKXQSOVYLL-UHFFFAOYSA-N
HMDB41259,424.188588628,C25H28O6,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC=C(C)C)C(O)=C(OC)C=C1O2,"InChI=1S/C25H28O6/c1-13(2)7-9-15-17(29-5)11-19-22(24(15)27)25(28)21-16(10-8-14(3)4)23(26)20(30-6)12-18(21)31-19/h7-8,11-12,26-27H,9-10H2,1-6H3",WDOPYKHYPKRXRJ,UHFFFAOYSA,N,"1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone",WDOPYKHYPKRXRJ-UHFFFAOYSA-N
HMDB41260,882.164343528,C44H34O20,OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC=C(O)C(O)=C1)C1=C2OC(C(CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2",KTLUHRSHFRODPS,UHFFFAOYSA,N,"ent-Epicatechin-(4alpha->8)-ent-epicatechin 3,3'-digallate",KTLUHRSHFRODPS-UHFFFAOYSA-N
HMDB41261,727.187424694,C35H35O17,OC1COC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC=C(O)C=C3)OC2OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C1O,"InChI=1S/C35H34O17/c36-17-5-1-15(2-6-17)3-8-27(42)47-14-26-29(44)30(45)33(52-34-31(46)28(43)23(41)13-48-34)35(51-26)50-25-12-19-21(39)10-18(37)11-24(19)49-32(25)16-4-7-20(38)22(40)9-16/h1-12,23,26,28-31,33-35,41,43-46H,13-14H2,(H4-,36,37,38,39,40,42)/p+1",KMIJRKZNTFVLAI,UHFFFAOYSA,O,Cyanidin 3-(6''-p-coumarylsambubioside),KMIJRKZNTFVLAI-UHFFFAOYSA-O
HMDB41262,889.240248124,C41H45O22,OCC1OC(OC2=C3C=C(OC4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(=[O+]C3=CC(O)=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O,"InChI=1S/C41H44O22/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48)/p+1",JSYDBTWJIIAZPU,UHFFFAOYSA,O,Cyanidin 3-(6''-(E)-p-coumarylsambubioside) 5-glucoside,JSYDBTWJIIAZPU-UHFFFAOYSA-O
HMDB41263,502.111126148,C24H22O12,OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C1O,"InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)",MTXMHWSVSZKYBT,UHFFFAOYSA,N,6''-O-Malonyldaidzin,MTXMHWSVSZKYBT-UHFFFAOYSA-N
HMDB41264,198.161979948,C12H22O2,CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(C)=O,"InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m0/s1",XHXUANMFYXWVNG,WCQGTBRESA,N,(±)-Menthyl acetate,XHXUANMFYXWVNG-WCQGTBRESA-N
HMDB41265,406.126382302,C20H22O9,CC(C)(OC1OC(CO)C(O)C(O)C1O)C1=CC2=C(O1)C=CC1=C2OC(=O)C=C1,"InChI=1S/C20H22O9/c1-20(2,29-19-17(25)16(24)15(23)12(8-21)27-19)13-7-10-11(26-13)5-3-9-4-6-14(22)28-18(9)10/h3-7,12,15-17,19,21,23-25H,8H2,1-2H3",RGKKEFIQHJTNIY,UHFFFAOYSA,N,Edulisin VI,RGKKEFIQHJTNIY-UHFFFAOYSA-N
HMDB41266,950.232817022,C42H46O25,OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C42H46O25/c43-11-23-29(53)34(58)39(41(62-23)65-37-31(55)27-21(50)9-16(45)10-22(27)61-36(37)15-3-5-18(47)20(49)8-15)67-42-38(33(57)28(52)24(12-44)63-42)66-40-35(59)32(56)30(54)25(64-40)13-60-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+",XXCKFJNPDRDYOK,QHHAFSJGSA,N,Quercetin 3-(6''-caffeoylsophorotrioside),XXCKFJNPDRDYOK-QHHAFSJGSA-N
HMDB41267,994.259031772,C44H50O26,COC1=CC(\C=C\C(=O)OCC2OC(OC3C(OC4C(OC5=C(OC6=CC(O)=CC(O)=C6C5=O)C5=CC(O)=C(O)C=C5)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)=CC(OC)=C1O,"InChI=1S/C44H50O26/c1-61-22-7-15(8-23(62-2)29(22)52)3-6-27(51)63-14-26-32(55)34(57)37(60)42(67-26)69-40-35(58)30(53)25(13-46)66-44(40)70-41-36(59)31(54)24(12-45)65-43(41)68-39-33(56)28-20(50)10-17(47)11-21(28)64-38(39)16-4-5-18(48)19(49)9-16/h3-11,24-26,30-32,34-37,40-50,52-55,57-60H,12-14H2,1-2H3/b6-3+",XGPMZWIBBAEMRZ,ZZXKWVIFSA,N,Quercetin 3-(6''-sinapoylsophorotrioside),XGPMZWIBBAEMRZ-ZZXKWVIFSA-N
HMDB41268,580.179205732,C27H32O14,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O,"InChI=1S/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3",VICGNLNFFZAFLT,UHFFFAOYSA,N,Cascaroside F,VICGNLNFFZAFLT-UHFFFAOYSA-N
HMDB41269,292.115817616,C12H20O8,CC1(C)COC(=O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C12H20O8/c1-12(2)4-18-10(17)9(12)20-11-8(16)7(15)6(14)5(3-13)19-11/h5-9,11,13-16H,3-4H2,1-2H3",BFCZPWYLRHFBNO,UHFFFAOYSA,N,Pantoyllactone glucoside,BFCZPWYLRHFBNO-UHFFFAOYSA-N
HMDB41270,182.057908808,C9H10O4,COC1=CC(O)=CC(O)=C1C(C)=O,"InChI=1S/C9H10O4/c1-5(10)9-7(12)3-6(11)4-8(9)13-2/h3-4,11-12H,1-2H3",IETZAWFZIAOWQX,UHFFFAOYSA,N,"2',4'-Dihydroxy-6'-methoxyacetophenone",IETZAWFZIAOWQX-UHFFFAOYSA-N
HMDB41271,300.084517488,C13H16O8,OCC1OC(OC2=CC=CC=C2C(O)=O)C(O)C(O)C1O,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)",TZPBMNKOLMSJPF,UHFFFAOYSA,N,Salicylic acid beta-D-glucoside,TZPBMNKOLMSJPF-UHFFFAOYSA-N
HMDB41272,286.068867424,C12H14O8,OC1COC(OC(=O)C2=CC(O)=C(O)C=C2)C(O)C1O,"InChI=1S/C12H14O8/c13-6-2-1-5(3-7(6)14)11(18)20-12-10(17)9(16)8(15)4-19-12/h1-3,8-10,12-17H,4H2",VWQASRWQZBVNEI,UHFFFAOYSA,N,Uralenneoside,VWQASRWQZBVNEI-UHFFFAOYSA-N
HMDB41273,342.13146768,C16H22O8,CC(=O)CCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1,"InChI=1S/C16H22O8/c1-8(18)2-3-9-4-5-10(19)11(6-9)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,12-17,19-22H,2-3,7H2,1H3",LMPCSMHAJDXHSV,UHFFFAOYSA,N,Myzodendrone,LMPCSMHAJDXHSV-UHFFFAOYSA-N
HMDB41274,416.168247116,C19H28O10,OC1COC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C19H28O10/c20-11-8-27-18(16(24)13(11)21)28-9-12-14(22)15(23)17(25)19(29-12)26-7-6-10-4-2-1-3-5-10/h1-5,11-25H,6-9H2",ZRGXCWYRIBRSQA,UHFFFAOYSA,N,Phenylethyl primeveroside,ZRGXCWYRIBRSQA-UHFFFAOYSA-N
HMDB41275,408.193674006,C25H28O5,COC1=CC=CC2=C1OC1=C(C(O)=C(CC=C(C)C)C(OC)=C1CC=C(C)C)C2=O,"InChI=1S/C25H28O5/c1-14(2)10-12-17-22(27)20-21(26)16-8-7-9-19(28-5)24(16)30-25(20)18(23(17)29-6)13-11-15(3)4/h7-11,27H,12-13H2,1-6H3",KGBJYZXDYBPQGM,UHFFFAOYSA,N,"1-Hydroxy-3,5-dimethoxy-2,4-diprenylxanthone",KGBJYZXDYBPQGM-UHFFFAOYSA-N
HMDB41276,358.141638436,C20H22O6,COC1=CC(\C=C/CO)=CC2=C1OC(C2CO)C1=CC(OC)=C(O)C=C1,"InChI=1S/C20H22O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-6,8-10,15,19,21-23H,7,11H2,1-2H3/b4-3-",KUSXBOZNRPQEON,ARJAWSKDSA,N,"(7'x,8'x)-4,7'-Epoxy-3,8'-bilign-7-ene-3,5'-dimethoxy-4',9,9'-triol",KUSXBOZNRPQEON-ARJAWSKDSA-N
HMDB41277,386.100167552,C20H18O8,COC1=CC(\C=C/C(O)=O)=CC2=C1OC(C2C(O)=O)C1=CC(OC)=C(O)C=C1,"InChI=1S/C20H18O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,21H,1-2H3,(H,22,23)(H,24,25)/b6-3-",JTHPLBUVRLOJBB,UTCJRWHESA,N,"3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid",JTHPLBUVRLOJBB-UTCJRWHESA-N
HMDB41278,400.165266367,C20H29ClO6,CC(Cl)C(C)(O)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C,"InChI=1S/C20H29ClO6/c1-9-15-14(26-17(9)23)8-12-6-7-13(22)10(2)19(12,4)16(15)27-18(24)20(5,25)11(3)21/h10-14,16,22,25H,6-8H2,1-5H3",GDXCVSFALPNRCV,UHFFFAOYSA,N,"3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide",GDXCVSFALPNRCV-UHFFFAOYSA-N
HMDB41279,364.188588628,C20H28O6,CC1OC1(C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C,"InChI=1S/C20H28O6/c1-9-15-14(24-17(9)22)8-12-6-7-13(21)10(2)19(12,4)16(15)25-18(23)20(5)11(3)26-20/h10-14,16,21H,6-8H2,1-5H3",MTYSOJAHTIASFA,UHFFFAOYSA,N,"3b-Hydroxy-6b-(2,3-epoxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide",MTYSOJAHTIASFA-UHFFFAOYSA-N
HMDB41280,162.976169789,C4H5NO2S2,OC(=O)C1CSC(=S)N1,"InChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)",SQUOCHQOQMZGQP,UHFFFAOYSA,N,Raphanusamic acid,SQUOCHQOQMZGQP-UHFFFAOYSA-N
HMDB41281,140.029585568,C7H8OS,CSC1=CC=CC=C1O,"InChI=1S/C7H8OS/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",SOOARYARZPXNAL,UHFFFAOYSA,N,2-(Methylthio)phenol,SOOARYARZPXNAL-UHFFFAOYSA-N
HMDB41282,129.024834541,C5H7NOS,CCOC1=NC=CS1,"InChI=1S/C5H7NOS/c1-2-7-5-6-3-4-8-5/h3-4H,2H2,1H3",NDUWJHRKDYXRAD,UHFFFAOYSA,N,2-Ethoxythiazole,NDUWJHRKDYXRAD-UHFFFAOYSA-N
HMDB41283,152.047344122,C8H8O3,CC(=O)CC(=O)C1=CC=CO1,"InChI=1S/C8H8O3/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4H,5H2,1H3",GPYKJDYMMUIUFG,UHFFFAOYSA,N,"1-(2-Furanyl)-1,3-butanedione",GPYKJDYMMUIUFG-UHFFFAOYSA-N
HMDB41284,264.136159128,C15H20O4,CC(C)C(=O)C1=C(O)C=C(O)C(CC=C(C)C)=C1O,"InChI=1S/C15H20O4/c1-8(2)5-6-10-11(16)7-12(17)13(15(10)19)14(18)9(3)4/h5,7,9,16-17,19H,6H2,1-4H3",IOBXAMCSYCVNET,UHFFFAOYSA,N,"2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone",IOBXAMCSYCVNET-UHFFFAOYSA-N
HMDB41285,398.121296924,C18H22O10,COC1=C2C=COC2=CC(OC2OC(CO)C(O)C(O)C2O)=C1CCC(O)=O,"InChI=1S/C18H22O10/c1-25-17-8(2-3-13(20)21)11(6-10-9(17)4-5-26-10)27-18-16(24)15(23)14(22)12(7-19)28-18/h4-6,12,14-16,18-19,22-24H,2-3,7H2,1H3,(H,20,21)",FQTKOEVCGAVVIG,UHFFFAOYSA,N,Picraquassioside A,FQTKOEVCGAVVIG-UHFFFAOYSA-N
HMDB41286,212.068473494,C10H12O5,COC1=C(O)C=CC(=C1)C(=O)C(O)CO,"InChI=1S/C10H12O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,11-13H,5H2,1H3",UTXNRISXYKZJTH,UHFFFAOYSA,N,"2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone",UTXNRISXYKZJTH-UHFFFAOYSA-N
HMDB41287,286.214409448,C16H30O4,OCCCCCCC(=O)CCCCCCCCC(O)=O,"InChI=1S/C16H30O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h17H,1-14H2,(H,19,20)",ZNMHENLYDLACAS,UHFFFAOYSA,N,16-Hydroxy-10-oxohexadecanoic acid,ZNMHENLYDLACAS-UHFFFAOYSA-N
HMDB41288,186.198365454,C12H26O,CCCCCCC(CO)CCCC,"InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3",XMVBHZBLHNOQON,UHFFFAOYSA,N,2-Butyl-1-octanol,XMVBHZBLHNOQON-UHFFFAOYSA-N
HMDB41289,556.179205732,C25H32O14,COC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(OC)=C(C(C)=O)C(OC3OCC(O)(CO)C3O)=CC2=C1,"InChI=1S/C25H32O14/c1-10(28)16-13(38-24-22(32)25(33,8-27)9-36-24)5-11-4-12(34-2)6-14(17(11)21(16)35-3)37-23-20(31)19(30)18(29)15(7-26)39-23/h4-6,15,18-20,22-24,26-27,29-33H,7-9H2,1-3H3",PGDDDJBSORSPAG,UHFFFAOYSA,N,Cassitoroside,PGDDDJBSORSPAG-UHFFFAOYSA-N
HMDB41290,356.125988372,C20H20O6,COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(O)C=CC(OC)=C1O2,"InChI=1S/C20H20O6/c1-10(2)5-6-11-14(25-4)9-15-17(18(11)22)19(23)16-12(21)7-8-13(24-3)20(16)26-15/h5,7-9,21-22H,6H2,1-4H3",GRYVOCRJTSCVJS,UHFFFAOYSA,N,"1,8-Dihydroxy-3,5-dimethoxy-2-prenylxanthone",GRYVOCRJTSCVJS-UHFFFAOYSA-N
HMDB41291,906.267626808,C56H42O12,OC1=CC=C(C=C1)C1OC2=C(C=C(\C=C/C3=CC(O)=CC4=C3C(C(O4)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C=C2)C1C1=C2C(C(OC2=CC(O)=C1)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1,"InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1-",WZKKRZSJTLGPHH,IWQZZHSRSA,N,r-Viniferin,WZKKRZSJTLGPHH-IWQZZHSRSA-N
HMDB41292,380.162373878,C23H24O5,CC(C)=CCC\C(C)=C\CC1=C(O)C2=C(OC3=C(C=CC=C3O)C2=O)C=C1O,"InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19-20(21(15)26)22(27)16-8-5-9-17(24)23(16)28-19/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10+",RJLWIAOXQDZMTB,GXDHUFHOSA,N,Mangostinone,RJLWIAOXQDZMTB-GXDHUFHOSA-N
HMDB41293,290.07903818,C15H14O6,COC1=C2OC3=C(C=CC=C3O)C2=C(OC)C(O)=C1OC,"InChI=1S/C15H14O6/c1-18-12-9-7-5-4-6-8(16)11(7)21-13(9)15(20-3)14(19-2)10(12)17/h4-6,16-17H,1-3H3",XUGBHEYCYSYJSM,UHFFFAOYSA,N,6-Hydroxy-alpha-pyrufuran,XUGBHEYCYSYJSM-UHFFFAOYSA-N
HMDB41294,304.094688244,C16H16O6,COC1=CC=CC2=C1OC1=C(OC)C(OC)=C(O)C(OC)=C21,"InChI=1S/C16H16O6/c1-18-9-7-5-6-8-10-13(19-2)11(17)15(20-3)16(21-4)14(10)22-12(8)9/h5-7,17H,1-4H3",ZUMWPOBUQWYISM,UHFFFAOYSA,N,6-Methoxy-alpha-pyrufuran,ZUMWPOBUQWYISM-UHFFFAOYSA-N
HMDB41295,320.089602866,C16H16O7,COC1=C2OC3=C(C=CC(O)=C3OC)C2=C(OC)C(O)=C1OC,"InChI=1S/C16H16O7/c1-19-12-8(17)6-5-7-9-13(20-2)10(18)15(21-3)16(22-4)14(9)23-11(7)12/h5-6,17-18H,1-4H3",QPJPNKHHNVCLCF,UHFFFAOYSA,N,7-Hydroxy-6-methoxy-alpha-pyrufuran,QPJPNKHHNVCLCF-UHFFFAOYSA-N
HMDB41296,324.099773622,C19H16O5,CC1(C)OC2=C(O)C=C3C=C(OC3=C2C=C1)C1=CC(O)=CC(O)=C1,"InChI=1S/C19H16O5/c1-19(2)4-3-14-17-11(7-15(22)18(14)24-19)8-16(23-17)10-5-12(20)9-13(21)6-10/h3-9,20-22H,1-2H3",HRYWITBPMMQCBB,UHFFFAOYSA,N,Moracin K,HRYWITBPMMQCBB-UHFFFAOYSA-N
HMDB41297,324.099773622,C19H16O5,CC1=CCC2=C3OC(=CC3=CC(O)=C2OC1)C1=CC(O)=CC(O)=C1,"InChI=1S/C19H16O5/c1-10-2-3-15-18-12(6-16(22)19(15)23-9-10)7-17(24-18)11-4-13(20)8-14(21)5-11/h2,4-8,20-22H,3,9H2,1H3",FQHZBTIVEUAARU,UHFFFAOYSA,N,Moracin L,FQHZBTIVEUAARU-UHFFFAOYSA-N
HMDB41298,310.120509064,C19H18O4,CC(C)=CCC1=CC2=C(OC(=C2)C2=CC(O)=CC(O)=C2)C=C1O,"InChI=1S/C19H18O4/c1-11(2)3-4-12-5-13-8-18(23-19(13)10-17(12)22)14-6-15(20)9-16(21)7-14/h3,5-10,20-22H,4H2,1-2H3",WBSCSIABHGPAMC,UHFFFAOYSA,N,Moracin N,WBSCSIABHGPAMC-UHFFFAOYSA-N
HMDB41299,326.115423686,C19H18O5,C\C(CO)=C\CC1=CC2=C(OC(=C2)C2=CC(O)=CC(O)=C2)C=C1O,"InChI=1S/C19H18O5/c1-11(10-20)2-3-12-4-13-7-18(24-19(13)9-17(12)23)14-5-15(21)8-16(22)6-14/h2,4-9,20-23H,3,10H2,1H3/b11-2-",GPKLNIVEGYWQJZ,FUQNDXKWSA,N,omega-Hydroxymoracin N,GPKLNIVEGYWQJZ-FUQNDXKWSA-N
HMDB41300,956.222252336,C44H44O24,OCC1OC(C(O)C(O)C1O)C1(O)C(O)=C(C(C(O)=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(=O)C(C(=O)\C=C/C3=CC=C(O)C=C3)=C2O)C(=O)C(C(=O)\C=C/C2=CC=C(O)C=C2)=C1O,"InChI=1S/C44H44O24/c45-13-21-28(51)32(55)34(57)40(67-21)43(65)36(59)23(19(49)11-5-15-1-7-17(47)8-2-15)30(53)26(38(43)61)25(42(63)64)27-31(54)24(20(50)12-6-16-3-9-18(48)10-4-16)37(60)44(66,39(27)62)41-35(58)33(56)29(52)22(14-46)68-41/h1-12,21-22,25,28-29,32-35,40-41,45-48,51-53,55-58,60-62,65-66H,13-14H2,(H,63,64)/b11-5-,12-6-",ITBPOPSLMGJTQH,CBIKUMSCSA,N,PRE,ITBPOPSLMGJTQH-CBIKUMSCSA-N
HMDB41301,372.266445018,C24H36O3,CCCCCCCC\C=C\CCCCCC1CC2=C(C(=O)O1)C(O)=CC=C2,"InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-19-20-16-15-18-22(25)23(20)24(26)27-21/h9-10,15-16,18,21,25H,2-8,11-14,17,19H2,1H3/b10-9+",GCSUJEGOLAPNMD,MDZDMXLPSA,N,"(3R, 6'Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one",GCSUJEGOLAPNMD-MDZDMXLPSA-N
HMDB41302,346.250794954,C22H34O3,CCCCCCCCCCCCCC1CC2=C(C(=O)O1)C(O)=CC=C2,"InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-17-18-14-13-16-20(23)21(18)22(24)25-19/h13-14,16,19,23H,2-12,15,17H2,1H3",GEFWCROCDVGECH,UHFFFAOYSA,N,"(R)-3,4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-one",GEFWCROCDVGECH-UHFFFAOYSA-N
HMDB41303,308.104859,C19H16O4,CC1(C)OC2=C(C=C1)C(O)=C(C=C2)C1=CC2=C(O1)C=C(O)C=C2,"InChI=1S/C19H16O4/c1-19(2)8-7-14-15(23-19)6-5-13(18(14)21)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3",AOVQEAUIBICOLQ,UHFFFAOYSA,N,Glyinflanin H,AOVQEAUIBICOLQ-UHFFFAOYSA-N
HMDB41304,280.109944378,C18H16O3,COC1=CC=C(OC\C=C/C#CC2=CC=C(O)C=C2)C=C1,"InChI=1S/C18H16O3/c1-20-17-10-12-18(13-11-17)21-14-4-2-3-5-15-6-8-16(19)9-7-15/h2,4,6-13,19H,14H2,1H3/b4-2-",MYCBDFJVVJREPO,RQOWECAXSA,N,Asparenyol,MYCBDFJVVJREPO-RQOWECAXSA-N
HMDB41305,294.125594442,C19H18O3,COC1=CC=C(OC\C=C/C#CC2=CC=C(OC)C=C2)C=C1,"InChI=1S/C19H18O3/c1-20-17-9-7-16(8-10-17)6-4-3-5-15-22-19-13-11-18(21-2)12-14-19/h3,5,7-14H,15H2,1-2H3/b5-3-",ZWOWJNDTICMQMK,HYXAFXHYSA,N,1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene,ZWOWJNDTICMQMK-HYXAFXHYSA-N
HMDB41306,148.055800318,C6H12O2S,CCC(SC)C(=O)OC,"InChI=1S/C6H12O2S/c1-4-5(9-3)6(7)8-2/h5H,4H2,1-3H3",PBYSEUNXLXTEAN,UHFFFAOYSA,N,Methyl 2-(methylthio)butyrate,PBYSEUNXLXTEAN-UHFFFAOYSA-N
HMDB41307,400.152203122,C22H24O7,CCC1=C(C)C(=O)C(CC2=C3OC(CC3=C(O)C(C(C)=O)=C2O)C(C)=C)=C(O)O1,"InChI=1S/C22H24O7/c1-6-15-10(4)18(24)14(22(27)29-15)7-12-19(25)17(11(5)23)20(26)13-8-16(9(2)3)28-21(12)13/h16,25-27H,2,6-8H2,1,3-5H3",KSYXICOARFSMFI,UHFFFAOYSA,N,Italipyrone,KSYXICOARFSMFI-UHFFFAOYSA-N
HMDB41308,542.215197308,C29H34O10,CCC(C)C(=O)C1=C(O)C(CC2=C(O)C(C)=C(CC)OC2=O)=C(O)C(CC2=C(O)C(C)=C(CC)OC2=O)=C1O,"InChI=1S/C29H34O10/c1-7-12(4)22(30)21-26(34)15(10-17-23(31)13(5)19(8-2)38-28(17)36)25(33)16(27(21)35)11-18-24(32)14(6)20(9-3)39-29(18)37/h12,31-35H,7-11H2,1-6H3",NAKDDLYFPVLAAL,UHFFFAOYSA,N,Italidipyrone,NAKDDLYFPVLAAL-UHFFFAOYSA-N
HMDB41309,292.105921632,C14H16N2O5,NC(CC(O)(CC1=CNC2=CC=CC=C12)C(O)=O)C(O)=O,"InChI=1S/C14H16N2O5/c15-10(12(17)18)6-14(21,13(19)20)5-8-7-16-11-4-2-1-3-9(8)11/h1-4,7,10,16,21H,5-6,15H2,(H,17,18)(H,19,20)",RMLYXMMBIZLGAQ,UHFFFAOYSA,N,"(2S,4S)-Monatin",RMLYXMMBIZLGAQ-UHFFFAOYSA-N
HMDB41310,290.07903818,C15H14O6,OC1CC(OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1,"InChI=1S/C15H14O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,12-13,16-20H,6H2",FSYDWKPCKNCRDI,UHFFFAOYSA,N,Luteoforol,FSYDWKPCKNCRDI-UHFFFAOYSA-N
HMDB41311,434.194067936,C23H30O8,COC1=CC(\C=C/CO)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C23H30O8/c1-14(21(25)16-12-19(28-4)22(30-6)20(13-16)29-5)31-23-17(26-2)10-15(8-7-9-24)11-18(23)27-3/h7-8,10-14,21,24-25H,9H2,1-6H3/b8-7-",QHYPOKHWZKVCEW,FPLPWBNLSA,N,Myristicanol A,QHYPOKHWZKVCEW-FPLPWBNLSA-N
HMDB41312,404.18350325,C22H28O7,COC1=CC(\C=C/CO)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C22H28O7/c1-14(21(24)16-8-9-17(25-2)18(13-16)26-3)29-22-19(27-4)11-15(7-6-10-23)12-20(22)28-5/h6-9,11-14,21,23-24H,10H2,1-5H3/b7-6-",JTUBQGXAXOEMNN,SREVYHEPSA,N,Myristicanol B,JTUBQGXAXOEMNN-SREVYHEPSA-N
HMDB41313,218.126657074,C9H18N2O4,CC(C)(CO)C(O)C(=O)NCCC(N)=O,"InChI=1S/C9H18N2O4/c1-9(2,5-12)7(14)8(15)11-4-3-6(10)13/h7,12,14H,3-5H2,1-2H3,(H2,10,13)(H,11,15)",AMMYIDAXRNSZSJ,UHFFFAOYSA,N,Pantothenamide,AMMYIDAXRNSZSJ-UHFFFAOYSA-N
HMDB41314,270.125594442,C17H18O3,CC(C)(C)C1=CC=C(OC(=O)C2=CC=CC=C2O)C=C1,"InChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3",DBOSBRHMHBENLP,UHFFFAOYSA,N,4-tert-Butylphenyl salicylate,DBOSBRHMHBENLP-UHFFFAOYSA-N
HMDB41315,190.099379692,C12H14O2,CCC(=O)OC\C=C/C1=CC=CC=C1,"InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6-",KGDJMNKPBUNHGY,TWGQIWQCSA,N,Cinnamyl propionate,KGDJMNKPBUNHGY-TWGQIWQCSA-N
HMDB41316,204.115029756,C13H16O2,CCCC(=O)OC\C=C/C1=CC=CC=C1,"InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6-",YZYPQKZWNXANRB,POHAHGRESA,N,Cinnamyl butyrate,YZYPQKZWNXANRB-POHAHGRESA-N
HMDB41317,204.115029756,C13H16O2,CC(C)C(=O)OC\C=C/C1=CC=CC=C1,"InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6-",KLKQSZIWHVEARN,TWGQIWQCSA,N,Cinnamyl isobutyrate,KLKQSZIWHVEARN-TWGQIWQCSA-N
HMDB41318,218.13067982,C14H18O2,CC(C)CC(=O)OC\C=C/C1=CC=CC=C1,"InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6-",FOCMOGKCPPTERB,TWGQIWQCSA,N,Cinnamyl isovalerate,FOCMOGKCPPTERB-TWGQIWQCSA-N
HMDB41319,253.110278729,C16H15NO2,NC1=CC=CC=C1C(=O)OC\C=C/C1=CC=CC=C1,"InChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6-",GABQNAFEZZDSCM,TWGQIWQCSA,N,Cinnamyl anthranilate,GABQNAFEZZDSCM-TWGQIWQCSA-N
HMDB41320,114.10446507,C7H14O,CC\C=C/CC(C)O,"InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h4-5,7-8H,3,6H2,1-2H3/b5-4-",KZUFTCBJDQXWOJ,PLNGDYQASA,N,"(2R,4Z)-4-Hepten-2-ol",KZUFTCBJDQXWOJ-PLNGDYQASA-N
HMDB41321,300.099773622,C17H16O5,COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C(C)=C2O1,"InChI=1S/C17H16O5/c1-9-12(18)7-13(19)16-14(20)8-15(22-17(9)16)10-3-5-11(21-2)6-4-10/h3-7,15,18-19H,8H2,1-2H3",ZUPNDQXBQBIBPZ,UHFFFAOYSA,N,"5,7-Dihydroxy-4'-methoxy-8-methylflavanone",ZUPNDQXBQBIBPZ-UHFFFAOYSA-N
HMDB41322,300.099773622,C17H16O5,COC1=CC=C(C=C1)C1COC2=C(C)C(O)=CC(O)=C2C1=O,"InChI=1S/C17H16O5/c1-9-13(18)7-14(19)15-16(20)12(8-22-17(9)15)10-3-5-11(21-2)6-4-10/h3-7,12,18-19H,8H2,1-2H3",QDPNXXWOKFBCPC,UHFFFAOYSA,N,"5,7-Dihydroxy-4'-methoxy-8-methylisoflavanone",QDPNXXWOKFBCPC-UHFFFAOYSA-N
HMDB41323,452.18350325,C26H28O7,COC1=C(O)C=C(C(O)=C1CC=C(C)C)C1=C(CC=C(C)C)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C26H28O7/c1-13(2)6-8-16-23(30)18(12-20(29)26(16)32-5)25-17(9-7-14(3)4)24(31)22-19(28)10-15(27)11-21(22)33-25/h6-7,10-12,27-30H,8-9H2,1-5H3",ONBLHZQNAGITBB,UHFFFAOYSA,N,Heteroartonin A,ONBLHZQNAGITBB-UHFFFAOYSA-N
HMDB41324,282.146723814,C15H22O5,CC1OCC2=C(C(O)C3OC3(CC=C(C)C)C2O)C1O,"InChI=1S/C15H22O5/c1-7(2)4-5-15-13(18)9-6-19-8(3)11(16)10(9)12(17)14(15)20-15/h4,8,11-14,16-18H,5-6H2,1-3H3",ICHJNTDKHBXTFN,UHFFFAOYSA,N,Bisbynin,ICHJNTDKHBXTFN-UHFFFAOYSA-N
HMDB41325,232.073558872,C13H12O4,CC1(C)OC2=C(C=C1)C(O)=C1C(=O)OCC1=C2,"InChI=1S/C13H12O4/c1-13(2)4-3-8-9(17-13)5-7-6-16-12(15)10(7)11(8)14/h3-5,14H,6H2,1-2H3",ZYOUEEMPKPNVQW,UHFFFAOYSA,N,Salfredin B11,ZYOUEEMPKPNVQW-UHFFFAOYSA-N
HMDB41326,152.083729628,C9H12O2,COC(OC)C1=CC=CC=C1,"InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3",HEVMDQBCAHEHDY,UHFFFAOYSA,N,(Dimethoxymethyl)benzene,HEVMDQBCAHEHDY-UHFFFAOYSA-N
HMDB41327,1124.597853872,C54H92O24,CC(C)(O)C\C=C\C(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C,"InChI=1S/C54H92O24/c1-49(2,70)13-9-14-54(8,78-47-43(69)39(65)36(62)28(75-47)22-71-45-41(67)37(63)33(59)25(19-55)72-45)23-10-16-53(7)32(23)24(58)18-30-51(5)15-12-31(50(3,4)29(51)11-17-52(30,53)6)76-48-44(40(66)35(61)27(21-57)74-48)77-46-42(68)38(64)34(60)26(20-56)73-46/h9,14,23-48,55-70H,10-13,15-22H2,1-8H3/b14-9+",IJQCDXJUXSOKKW,NTEUORMPSA,N,Koryoginsenoside Rg2,IJQCDXJUXSOKKW-NTEUORMPSA-N
HMDB41328,277.131408101,C15H19NO4,CC1(C)CC(=O)C2=C(O1)C=CC(C(=O)CCCO)=C2N,"InChI=1S/C15H19NO4/c1-15(2)8-11(19)13-12(20-15)6-5-9(14(13)16)10(18)4-3-7-17/h5-6,17H,3-4,7-8,16H2,1-2H3",GUILTLWLDALBNW,UHFFFAOYSA,N,3'-Deaminofusarochromanone,GUILTLWLDALBNW-UHFFFAOYSA-N
HMDB41329,275.115758037,C15H17NO4,CC1(C)CC(=O)C2=C(O1)C=CC(C(=O)\C=C\CO)=C2N,"InChI=1S/C15H17NO4/c1-15(2)8-11(19)13-12(20-15)6-5-9(14(13)16)10(18)4-3-7-17/h3-6,17H,7-8,16H2,1-2H3/b4-3+",FQWVFPQMOJOLSZ,ONEGZZNKSA,N,"5-Amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone",FQWVFPQMOJOLSZ-ONEGZZNKSA-N
HMDB41330,372.193674006,C22H28O5,CC1CCC23COC(=O)C2=CCCC3C1(C)CC(OC(C)=O)C1=COC=C1,"InChI=1S/C22H28O5/c1-14-7-9-22-13-26-20(24)17(22)5-4-6-19(22)21(14,3)11-18(27-15(2)23)16-8-10-25-12-16/h5,8,10,12,14,18-19H,4,6-7,9,11,13H2,1-3H3",DZAYTXGDCMMRGZ,UHFFFAOYSA,N,Tanabalin,DZAYTXGDCMMRGZ-UHFFFAOYSA-N
HMDB41331,496.303618384,C27H44O8,CC(O)C1C(O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C27H44O8/c1-13(29)21-19(30)11-18-16-5-4-14-10-15(6-8-26(14,2)17(16)7-9-27(18,21)3)34-25-24(33)23(32)22(31)20(12-28)35-25/h4,13,15-25,28-33H,5-12H2,1-3H3",MMAFNNBLJJXUCU,UHFFFAOYSA,N,"(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside",MMAFNNBLJJXUCU-UHFFFAOYSA-N
HMDB41332,788.419436,C39H64O16,CC(O)C1C(O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O,"InChI=1S/C39H64O16/c1-15(40)25-23(41)13-22-20-7-6-18-12-19(8-10-38(18,4)21(20)9-11-39(22,25)5)53-37-34(55-36-33(49)30(46)27(43)17(3)52-36)31(47)28(44)24(54-37)14-50-35-32(48)29(45)26(42)16(2)51-35/h6,15-17,19-37,40-49H,7-14H2,1-5H3",DHEBGTQGALZORI,UHFFFAOYSA,N,Balagyptin,DHEBGTQGALZORI-UHFFFAOYSA-N
HMDB41333,248.214015518,C17H28O,CC\C=C\C\C=C/C\C=C\CCCCCCC=O,"InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3/b4-3+,7-6-,10-9+",NIPNNUONNZABRE,BXPSWRNBSA,N,"(all-Z)-8,11,14-Heptadecatrienal",NIPNNUONNZABRE-BXPSWRNBSA-N
HMDB41334,250.229665582,C17H30O,CCCCC\C=C/C\C=C\CCCCCCC=O,"InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6-,10-9+",JEBIMSVVDVTZIY,IXWMQOLASA,N,"8,11-Heptadecadienal",JEBIMSVVDVTZIY-IXWMQOLASA-N
HMDB41335,252.245315646,C17H32O,CCCCCCCC\C=C\CCCCCCC=O,"InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10,17H,2-8,11-16H2,1H3/b10-9+",UZXKSNXOPFPOKK,MDZDMXLPSA,N,8-Heptadecenal,UZXKSNXOPFPOKK-MDZDMXLPSA-N
HMDB41336,458.142426296,C20H26O12,CC1=C2COC(=O)C2=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C=C1,"InChI=1S/C20H26O12/c1-7-2-3-10(12-8(7)4-28-18(12)27)31-20-17(26)15(24)14(23)11(32-20)6-30-19-16(25)13(22)9(21)5-29-19/h2-3,9,11,13-17,19-26H,4-6H2,1H3",QSTWATBAAMDBSL,UHFFFAOYSA,N,7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside],QSTWATBAAMDBSL-UHFFFAOYSA-N
HMDB41337,325.137281339,C12H23NO9,OCC1NCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C12H23NO9/c14-2-4-7(16)8(17)5(1-13-4)21-12-11(20)10(19)9(18)6(3-15)22-12/h4-20H,1-3H2",CQLSQWAVFSEMIE,UHFFFAOYSA,N,2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin,CQLSQWAVFSEMIE-UHFFFAOYSA-N
HMDB41338,396.1572885,C23H24O6,CC(C)=CCC1=CC2=C(OC3=C(C(O)=CC(O)=C3C(C)(C)C=C)C2=O)C(O)=C1O,"InChI=1S/C23H24O6/c1-6-23(4,5)17-15(25)10-14(24)16-19(27)13-9-12(8-7-11(2)3)18(26)20(28)21(13)29-22(16)17/h6-7,9-10,24-26,28H,1,8H2,2-5H3",BPIPRLPHPUGIIF,UHFFFAOYSA,N,"4-(1,1-Dimethyl-2-propenyl)-1,3,5,6-tetrahydroxy-7-prenylxanthone",BPIPRLPHPUGIIF-UHFFFAOYSA-N
HMDB41339,357.160790112,C20H24ClN3O,CC(C)(C)C1=CC(=C(O)C(=C1)N1N=C2C=CC(Cl)=CC2=N1)C(C)(C)C,"InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3",UWSMKYBKUPAEJQ,UHFFFAOYSA,N,"5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-2H-benzotriazole",UWSMKYBKUPAEJQ-UHFFFAOYSA-N
HMDB41340,430.08509793,C22H20Cl2N2O3,CN1N=C(C)C(C(=O)C2=C(Cl)C(C)=C(Cl)C=C2)=C1OCC(=O)C1=CC=C(C)C=C1,"InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3",JDWQITFHZOBBFE,UHFFFAOYSA,N,Benzofenap,JDWQITFHZOBBFE-UHFFFAOYSA-N
HMDB41341,460.072544444,C19H14ClF5N4O2,NC(=O)C1=NN(C(=N1)C1=CC=CC=C1)C1=CC=C(Cl)C(COCC(F)(F)C(F)(F)F)=C1,"InChI=1S/C19H14ClF5N4O2/c20-14-7-6-13(8-12(14)9-31-10-18(21,22)19(23,24)25)29-17(11-4-2-1-3-5-11)27-16(28-29)15(26)30/h1-8H,9-10H2,(H2,26,30)",AOQMRUTZEYVDIL,UHFFFAOYSA,N,Flupoxam,AOQMRUTZEYVDIL-UHFFFAOYSA-N
HMDB41342,1018.49847418,C49H78O22,CC(CCC1=C(C)C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(OC3OCC(O)C(O)C3O)C(O)C2O)O1)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C49H78O22/c1-19(15-63-45-41(61)37(57)36(56)31(14-50)69-45)5-6-29-20(2)33-30(68-29)13-24-22-12-26(51)25-11-21(7-9-48(25,3)23(22)8-10-49(24,33)4)67-47-42(62)38(58)43(71-46-40(60)35(55)28(53)17-65-46)32(70-47)18-66-44-39(59)34(54)27(52)16-64-44/h19,21-25,27-28,30-47,50,52-62H,5-18H2,1-4H3",ALMJXWPCHVBUTP,UHFFFAOYSA,N,Chinenoside II,ALMJXWPCHVBUTP-UHFFFAOYSA-N
HMDB41343,886.456215436,C44H70O18,CC(CCC1=C(C)C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)O1)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C44H70O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-6-27-19(2)31-28(60-27)13-23-21-12-25(46)24-11-20(7-9-43(24,3)22(21)8-10-44(23,31)4)59-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)26(47)16-57-40/h18,20-24,26,28-42,45,47-55H,5-17H2,1-4H3",ZKCRBHUUXPULDX,UHFFFAOYSA,N,Chinenoside III,ZKCRBHUUXPULDX-UHFFFAOYSA-N
HMDB41344,954.44604468,C47H70O20,CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(=C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C=O)OC(C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C47H70O20/c1-19-9-12-47(42(61)67-40-32(56)30(54)28(52)24(17-48)63-40)14-13-45(5)21(22(47)15-19)7-8-26-43(3)16-23(50)37(44(4,18-49)25(43)10-11-46(26,45)6)66-41-34(58)35(33(57)36(65-41)38(59)60)64-39-31(55)29(53)27(51)20(2)62-39/h7,18,20,22-37,39-41,48,50-58H,1,8-17H2,2-6H3,(H,59,60)",LDBTUYKNDDNDJO,UHFFFAOYSA,N,Amaranthussaponin IV,LDBTUYKNDDNDJO-UHFFFAOYSA-N
HMDB41345,150.115698458,C9H14N2,CCC1=C(CC)N=C(C)C=N1,"InChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3",PSINWXIDJYEXLO,UHFFFAOYSA,N,"2,3-Diethyl-5-methylpyrazine",PSINWXIDJYEXLO-UHFFFAOYSA-N
HMDB41346,125.029919919,C6H7NS,SCC1=CC=CC=N1,"InChI=1S/C6H7NS/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2",SJIIDWBFRZACDQ,UHFFFAOYSA,N,2-Pyridinemethanethiol,SJIIDWBFRZACDQ-UHFFFAOYSA-N
HMDB41347,664.382262634,C36H56O11,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C36H56O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,19-27,29,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)",UQWJOPVYLXZYCS,UHFFFAOYSA,N,Elatoside G,UQWJOPVYLXZYCS-UHFFFAOYSA-N
HMDB41348,364.188588628,C20H28O6,CC12CCCC(C)(C1C(C(O)=O)C13CC(O)(CCC21)C(=C)C3O)C(O)=O,"InChI=1S/C20H28O6/c1-10-14(21)20-9-19(10,26)8-5-11(20)17(2)6-4-7-18(3,16(24)25)13(17)12(20)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)",GWJAUARFGPKLMT,UHFFFAOYSA,N,Gibberellin A100,GWJAUARFGPKLMT-UHFFFAOYSA-N
HMDB41349,378.167853186,C20H26O7,CC1(CCCC2(C=O)C3CCC4(O)CC3(C(O)C4=C)C(C12)C(O)=O)C(O)=O,"InChI=1S/C20H26O7/c1-10-14(22)20-8-19(10,27)7-4-11(20)18(9-21)6-3-5-17(2,16(25)26)13(18)12(20)15(23)24/h9,11-14,22,27H,1,3-8H2,2H3,(H,23,24)(H,25,26)",ODFFXPNOCMSXHG,UHFFFAOYSA,N,Gibberellin A102,ODFFXPNOCMSXHG-UHFFFAOYSA-N
HMDB41350,330.146723814,C19H22O5,CC12CC=CC3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)",UXLXLQYIDWLPKX,UHFFFAOYSA,N,Gibberellin A95,UXLXLQYIDWLPKX-UHFFFAOYSA-N
HMDB41351,868.518421762,C46H76O15,C\C=C\C(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(CCC=C(C)C)OC3OC(CO)C(O)C(O)C3O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O,"InChI=1S/C46H76O15/c1-10-12-31(50)57-22-28-34(52)36(54)37(55)40(60-28)58-26-20-45(8)29(43(6)17-15-30(49)42(4,5)39(26)43)19-25(48)32-24(14-18-44(32,45)7)46(9,16-11-13-23(2)3)61-41-38(56)35(53)33(51)27(21-47)59-41/h10,12-13,24-30,32-41,47-49,51-56H,11,14-22H2,1-9H3/b12-10+",HMPXCABYJUUDEV,ZRDIBKRKSA,N,Koryoginsenoside R1,HMPXCABYJUUDEV-ZRDIBKRKSA-N
HMDB41352,970.477344808,C48H74O20,CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C=O)OC(C2O)C(O)=O)C(O)C(O)C1O,"InChI=1S/C48H74O20/c1-20-27(52)29(54)31(56)39(63-20)65-35-33(58)36(38(60)61)66-41(34(35)59)67-37-23(51)17-44(4)25(45(37,5)19-50)10-11-47(7)26(44)9-8-21-22-16-43(2,3)12-14-48(22,15-13-46(21,47)6)42(62)68-40-32(57)30(55)28(53)24(18-49)64-40/h8,19-20,22-37,39-41,49,51-59H,9-18H2,1-7H3,(H,60,61)",MMFXDLCKZVIKRE,UHFFFAOYSA,N,Amaranthussaponin II,MMFXDLCKZVIKRE-UHFFFAOYSA-N
HMDB41353,632.39243339,C36H56O9,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C36H56O9/c1-31(2)13-15-36(30(42)43)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(33(4,19-38)23(32)9-12-35(24,34)6)45-29-28(41)27(40)26(39)22(18-37)44-29/h7,19,21-29,37,39-41H,8-18H2,1-6H3,(H,42,43)",CJJIRCAOHRWQEM,UHFFFAOYSA,N,Lucyoside K,CJJIRCAOHRWQEM-UHFFFAOYSA-N
HMDB41354,724.439777512,C39H64O12,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)OC11CCC(C)CO1,"InChI=1S/C39H64O12/c1-18-8-13-39(47-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-34(45)32(43)30(41)27(50-36)17-46-35-33(44)31(42)29(40)20(3)48-35/h18-36,40-45H,6-17H2,1-5H3",HXATWZQZOVMWCQ,UHFFFAOYSA,N,Smilanippin A,HXATWZQZOVMWCQ-UHFFFAOYSA-N
HMDB41355,1382.671806674,C65H106O31,CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C65H106O31/c1-24-11-16-65(60(84)96-58-49(82)44(77)40(73)32(91-58)23-86-54-50(83)45(78)52(31(21-68)90-54)94-57-48(81)43(76)39(72)30(20-67)89-57)18-17-63(7)27(36(65)25(24)2)9-10-34-62(6)14-13-35(61(4,5)33(62)12-15-64(34,63)8)92-59-53(95-55-46(79)41(74)37(70)26(3)87-55)51(28(69)22-85-59)93-56-47(80)42(75)38(71)29(19-66)88-56/h9,24-26,28-59,66-83H,10-23H2,1-8H3",KQIHCENNAZOODK,UHFFFAOYSA,N,Matesaponin 5,KQIHCENNAZOODK-UHFFFAOYSA-N
HMDB41356,810.440171442,C42H66O15,CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O,"InChI=1S/C42H66O15/c1-37(2)14-15-42(36(52)53)20(16-37)19-8-9-23-39(5)12-11-25(38(3,4)22(39)10-13-40(23,6)41(19,7)17-24(42)44)55-35-30(49)31(29(48)32(57-35)33(50)51)56-34-28(47)27(46)26(45)21(18-43)54-34/h8,20-32,34-35,43-49H,9-18H2,1-7H3,(H,50,51)(H,52,53)",OFNUYVGIYKINHD,UHFFFAOYSA,N,Elatoside H,OFNUYVGIYKINHD-UHFFFAOYSA-N
HMDB41357,754.195643656,C33H38O20,CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C33H38O20/c1-33(47,8-19(37)38)9-20(39)48-11-18-23(41)26(44)28(46)32(52-18)53-30-24(42)21-15(36)6-14(49-31-27(45)25(43)22(40)17(10-34)51-31)7-16(21)50-29(30)12-2-4-13(35)5-3-12/h2-7,17-18,22-23,25-28,31-32,34-36,40-41,43-47H,8-11H2,1H3,(H,37,38)",KNBPTHQAIKQFMM,UHFFFAOYSA,N,Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside,KNBPTHQAIKQFMM-UHFFFAOYSA-N
HMDB41358,626.148299534,C27H30O17,OCC1OC(OC2C(O)C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)21(38)26(41-14)43-24-18(35)15(7-29)42-27(22(24)39)44-25-19(36)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,24,26-35,37-39H,6-7H2",RAMYMBNTEMMDSX,UHFFFAOYSA,N,Quercetin 3-beta-laminaribioside,RAMYMBNTEMMDSX-UHFFFAOYSA-N
HMDB41359,418.126382302,C21H22O9,COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(O)=C(OC)C(OC)=C2O1,"InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-19(27-4)14(22)13-17(26-3)15(23)20(28-5)21(29-6)18(13)30-16/h7-9,23H,1-6H3",VCOWIXWIOZUOJS,UHFFFAOYSA,N,"6-Hydroxy-3,3',4',5,7,8-hexamethoxyflavone",VCOWIXWIOZUOJS-UHFFFAOYSA-N
HMDB41360,380.168247116,C16H28O10,CC(C)=CCOC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C16H28O10/c1-7(2)3-4-23-16-14(22)12(20)11(19)9(26-16)6-25-15-13(21)10(18)8(17)5-24-15/h3,8-22H,4-6H2,1-2H3",NYSQQJIJJJAWCE,UHFFFAOYSA,N,Prenyl arabinosyl-(1->6)-glucoside,NYSQQJIJJJAWCE-UHFFFAOYSA-N
HMDB41361,138.05032101,C8H10S,CCC1=CC=CC=C1S,"InChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3",ABROBCBIIWHVNS,UHFFFAOYSA,N,2-Ethylbenzenethiol,ABROBCBIIWHVNS-UHFFFAOYSA-N
HMDB41362,628.455033646,C35H64O9,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CC(O)CC(O)CCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O9/c1-3-4-5-6-7-8-9-10-11-12-16-31(40)33-19-20-34(44-33)32(41)18-17-29(38)24-30(39)23-28(37)15-13-14-27(36)22-26-21-25(2)43-35(26)42/h21,25,27-34,36-41H,3-20,22-24H2,1-2H3",UAKTZILOYPPNCD,UHFFFAOYSA,N,Annohexocin,UAKTZILOYPPNCD-UHFFFAOYSA-N
HMDB41363,394.199153314,C21H30O7,COC1OC2CCC1C(C)(C(OC(=O)C(\C)=C/C)C1=C(C)C(O)OC1=O)C2C,"InChI=1S/C21H30O7/c1-7-10(2)17(22)27-16(15-11(3)18(23)28-19(15)24)21(5)12(4)14-9-8-13(21)20(25-6)26-14/h7,12-14,16,18,20,23H,8-9H2,1-6H3/b10-7-",YEMKZDPASIYASW,YFHOEESVSA,N,Secoeremopetasitolide B,YEMKZDPASIYASW-YFHOEESVSA-N
HMDB41364,366.167853186,C19H26O7,C\C=C(\C)C(=O)OC(C1=C(C)C(O)OC1=O)C1(C)C(C)C(O)CCC1=O,"InChI=1S/C19H26O7/c1-6-9(2)16(22)25-15(14-10(3)17(23)26-18(14)24)19(5)11(4)12(20)7-8-13(19)21/h6,11-12,15,17,20,23H,7-8H2,1-5H3/b9-6-",JNKNAUQBPPWDQQ,TWGQIWQCSA,N,Secoeremopetasitolide A,JNKNAUQBPPWDQQ-TWGQIWQCSA-N
HMDB41365,478.293053698,C27H42O7,CC(=O)OC1OC(=O)C=C1C(O)CC1C(O)(CO)CCC2C1(C)CCC1C(C)(C)CCCC21C,"InChI=1S/C27H42O7/c1-16(29)33-23-17(13-22(31)34-23)18(30)14-21-26(5)11-7-19-24(2,3)9-6-10-25(19,4)20(26)8-12-27(21,32)15-28/h13,18-21,23,28,30,32H,6-12,14-15H2,1-5H3",QNZZHRCSGTYEAW,UHFFFAOYSA,N,25-Acetylvulgaroside,QNZZHRCSGTYEAW-UHFFFAOYSA-N
HMDB41366,520.303618384,C29H44O8,CC(=O)OCC1(O)CCC2C(C)(CCC3C(C)(C)CCCC23C)C1CC(O)C1=CC(=O)OC1OC(C)=O,"InChI=1S/C29H44O8/c1-17(30)35-16-29(34)13-9-22-27(5)11-7-10-26(3,4)21(27)8-12-28(22,6)23(29)15-20(32)19-14-24(33)37-25(19)36-18(2)31/h14,20-23,25,32,34H,7-13,15-16H2,1-6H3",CQEKWFACITVTKT,UHFFFAOYSA,N,"24,25-Diacetylvulgaroside",CQEKWFACITVTKT-UHFFFAOYSA-N
HMDB41367,566.324353826,C34H46O7,CC1(C)CCCC2(C)C1CCC1(C)C(CC(O)C3=CC(=O)OC3OC(=O)\C=C\C3=CC=CC=C3)C(O)(CO)CCC21,"InChI=1S/C34H46O7/c1-31(2)15-8-16-32(3)25(31)13-17-33(4)26(32)14-18-34(39,21-35)27(33)20-24(36)23-19-29(38)41-30(23)40-28(37)12-11-22-9-6-5-7-10-22/h5-7,9-12,19,24-27,30,35-36,39H,8,13-18,20-21H2,1-4H3/b12-11+",SXPHINZZVYORPV,VAWYXSNFSA,N,25-Cinnamoyl-vulgaroside,SXPHINZZVYORPV-VAWYXSNFSA-N
HMDB41368,608.334918512,C36H48O8,CC(=O)OCC1(O)CCC2C(C)(CCC3C(C)(C)CCCC23C)C1CC(O)C1=CC(=O)OC1OC(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C36H48O8/c1-23(37)42-22-36(41)19-15-28-34(4)17-9-16-33(2,3)27(34)14-18-35(28,5)29(36)21-26(38)25-20-31(40)44-32(25)43-30(39)13-12-24-10-7-6-8-11-24/h6-8,10-13,20,26-29,32,38,41H,9,14-19,21-22H2,1-5H3/b13-12+",IMXZIJOCFAKDPZ,OUKQBFOZSA,N,24-Acetyl- 25-cinnamoylvulgaroside,IMXZIJOCFAKDPZ-OUKQBFOZSA-N
HMDB41369,381.164833493,C16H23N5O6,C\C(CO)=C/CNC1=C2N=CN(C3OC(CO)C(O)C(O)C3O)C2=NC=N1,"InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+",VYRAJOITMBSQSE,KRXBUXKQSA,N,cis-Zeatin 9-glucoside,VYRAJOITMBSQSE-KRXBUXKQSA-N
HMDB41370,350.126657074,C20H18N2O4,OC(=O)C(CC1=CNC2=C1C=CC=C2)NC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C20H18N2O4/c23-15-8-5-13(6-9-15)7-10-19(24)22-18(20(25)26)11-14-12-21-17-4-2-1-3-16(14)17/h1-10,12,18,21,23H,11H2,(H,22,24)(H,25,26)/b10-7+",IDUPBPKKEQWWCP,JXMROGBWSA,N,Na-p-Hydroxycoumaroyltryptophan,IDUPBPKKEQWWCP-JXMROGBWSA-N
HMDB41371,254.203450832,C19H26,CC(C)C1=CC2=C(C=C1)C1(C)CCCC(=C)C1CC2,"InChI=1S/C19H26/c1-13(2)15-7-10-18-16(12-15)8-9-17-14(3)6-5-11-19(17,18)4/h7,10,12-13,17H,3,5-6,8-9,11H2,1-2,4H3",ZPQHNIHJSIZREW,UHFFFAOYSA,N,"18-Nor-4(19),8,11,13-abietatetraene",ZPQHNIHJSIZREW-UHFFFAOYSA-N
HMDB41372,346.141638436,C19H22O6,CC1=CC(O\C=C2\C3C=C4CCCC(C)(C)C4(O)C3OC2=O)OC1=O,"InChI=1S/C19H22O6/c1-10-7-14(24-16(10)20)23-9-13-12-8-11-5-4-6-18(2,3)19(11,22)15(12)25-17(13)21/h7-9,12,14-15,22H,4-6H2,1-3H3/b13-9-",FIKOOQXJBAJJSE,LCYFTJDESA,N,Alectrol,FIKOOQXJBAJJSE-LCYFTJDESA-N
HMDB41373,645.231592427,C26H39N5O12S,CCC1(C)OC2=CC(C(O)C(NC)\C(O)=N/C(C)\C(O)=N\C1\C(O)=N\CC(O)=O)=C(C=C2O)S(=O)CC(O)CC(N)C(O)=O,"InChI=1S/C26H39N5O12S/c1-5-26(3)21(24(39)29-9-18(34)35)31-22(37)11(2)30-23(38)19(28-4)20(36)13-7-16(43-26)15(33)8-17(13)44(42)10-12(32)6-14(27)25(40)41/h7-8,11-12,14,19-21,28,32-33,36H,5-6,9-10,27H2,1-4H3,(H,29,39)(H,30,38)(H,31,37)(H,34,35)(H,40,41)",BISPUFPESHDUKH,UHFFFAOYSA,N,Ustiloxin B,BISPUFPESHDUKH-UHFFFAOYSA-N
HMDB41374,580.47028978,C35H64O6,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCC1CC(CC(C)=O)C(=O)O1,"InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(37)33-24-25-34(41-33)32(38)23-20-17-14-11-10-12-15-18-21-30-27-29(26-28(2)36)35(39)40-30/h29-34,37-38H,3-27H2,1-2H3",DPGGJXIYFHNDLV,UHFFFAOYSA,N,cis-Murisolinone,DPGGJXIYFHNDLV-UHFFFAOYSA-N
HMDB41375,654.434298204,C36H62O10,CC(C)(O)C\C=C\C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H62O10/c1-31(2,43)12-9-13-36(8,44)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(39)32(3,4)29(33)21(17-35(23,34)7)45-30-28(42)27(41)26(40)22(18-37)46-30/h9,13,19-30,37-44H,10-12,14-18H2,1-8H3/b13-9+",GWXVKQQKVGTQHX,UKTHLTGXSA,N,Notoginsenoside R9,GWXVKQQKVGTQHX-UKTHLTGXSA-N
HMDB41376,186.125594442,C10H18O3,CC1(C)OC2(C)C(O)CC1CC2O,"InChI=1S/C10H18O3/c1-9(2)6-4-7(11)10(3,13-9)8(12)5-6/h6-8,11-12H,4-5H2,1-3H3",JSNQSLSBBZFGBM,UHFFFAOYSA,N,"exo,exo-1,8-Epoxy-p-menthane-2,6-diol",JSNQSLSBBZFGBM-UHFFFAOYSA-N
HMDB41377,1074.154960632,C49H38O28,OC(C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OCC1O)C1=C(O)C=C(O)C2=C1OC(C(O)C2)C1=CC=C(O)C(O)=C1,"InChI=1S/C49H38O28/c50-17-2-1-11(3-19(17)52)41-25(58)4-12-18(51)9-20(53)31(42(12)74-41)40(68)44-45(77-49(72)16-8-24(57)35(63)39(67)30(16)29-15(48(71)76-44)7-23(56)34(62)38(29)66)43-26(59)10-73-46(69)13-5-21(54)32(60)36(64)27(13)28-14(47(70)75-43)6-22(55)33(61)37(28)65/h1-3,5-9,25-26,40-41,43-45,50-68H,4,10H2",XSWKCRGTEVOEIG,UHFFFAOYSA,N,Camelliatannin E,XSWKCRGTEVOEIG-UHFFFAOYSA-N
HMDB41378,1074.154960632,C49H38O28,OC(C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C=C2C(=O)OC1C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C=C2C(=O)OCC1O)C1=C(O)C=C2OC(C(O)CC2=C1O)C1=CC(O)=C(O)C=C1,"InChI=1S/C49H38O28/c50-17-2-1-11(3-18(17)51)42-24(57)4-12-26(74-42)9-19(52)31(32(12)59)41(68)44-45(77-49(72)16-8-23(56)36(63)40(67)30(16)29-15(48(71)76-44)7-22(55)35(62)39(29)66)43-25(58)10-73-46(69)13-5-20(53)33(60)37(64)27(13)28-14(47(70)75-43)6-21(54)34(61)38(28)65/h1-3,5-9,24-25,41-45,50-68H,4,10H2",CAHWVGJOCMGFBC,UHFFFAOYSA,N,Camelliatannin C,CAHWVGJOCMGFBC-UHFFFAOYSA-N
HMDB41379,222.089208936,C12H14O4,COC1=CC2=C(OC(C)(C)C(O)C2=O)C=C1,"InChI=1S/C12H14O4/c1-12(2)11(14)10(13)8-6-7(15-3)4-5-9(8)16-12/h4-6,11,14H,1-3H3",YTGHSHJESKKQEY,UHFFFAOYSA,N,"2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one",YTGHSHJESKKQEY-UHFFFAOYSA-N
HMDB41380,486.095082174,C27H18O9,COC1=C(C(O)=C(C(=O)C2=CC=CC=C2)C(O)=C1)C1=CC(O)=C2OC3=C(C=CC=C3O)C(=O)C2=C1O,"InChI=1S/C27H18O9/c1-35-18-11-16(29)20(22(31)12-6-3-2-4-7-12)25(34)19(18)14-10-17(30)27-21(24(14)33)23(32)13-8-5-9-15(28)26(13)36-27/h2-11,28-30,33-34H,1H3",RIPCRCQAUIWJEL,UHFFFAOYSA,N,Garciduol A,RIPCRCQAUIWJEL-UHFFFAOYSA-N
HMDB41381,502.089996796,C27H18O10,COC1=C(C(O)=C(C(=O)C2=CC(O)=CC=C2)C(O)=C1)C1=CC(O)=C2OC3=C(C=CC=C3O)C(=O)C2=C1O,"InChI=1S/C27H18O10/c1-36-18-10-16(30)20(22(32)11-4-2-5-12(28)8-11)25(35)19(18)14-9-17(31)27-21(24(14)34)23(33)13-6-3-7-15(29)26(13)37-27/h2-10,28-31,34-35H,1H3",XKZFGJPNYONQOM,UHFFFAOYSA,N,Garciduol B,XKZFGJPNYONQOM-UHFFFAOYSA-N
HMDB41382,392.198759384,C25H28O4,CC(C)=CCC1=C(O)C=CC2=C1OCC(C2)C1=C(O)C2=C(OC(C)(C)C=C2)C=C1,"InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-6-16-13-17(14-28-24(16)19)18-8-10-22-20(23(18)27)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3",PPYSNAHBRHGTLI,UHFFFAOYSA,N,(S)-8-Prenylphaseollinisoflavan,PPYSNAHBRHGTLI-UHFFFAOYSA-N
HMDB41383,640.163949598,C28H32O17,COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)32)24-26(20(36)17-12(33)5-10(31)6-14(17)41-24)45-28-23(39)25(19(35)16(8-30)43-28)44-27-22(38)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,25,27-35,37-39H,7-8H2,1H3",SMDOOINVMJSDPS,UHFFFAOYSA,N,Isorhamnetin 3-beta-laminaribioside,SMDOOINVMJSDPS-UHFFFAOYSA-N
HMDB41384,504.090390726,C23H20O13,CC(=O)OC1C(O)C(O)C(OC2=C(O)C=CC(=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)OC1C(O)=O,"InChI=1S/C23H20O13/c1-8(24)33-20-18(29)19(30)23(36-21(20)22(31)32)35-15-4-9(2-3-11(15)26)14-7-13(28)17-12(27)5-10(25)6-16(17)34-14/h2-7,18-21,23,25-27,29-30H,1H3,(H,31,32)",YXAMANJJQIUXMQ,UHFFFAOYSA,N,Luteolin 3'-(4''-acetylglucuronide),YXAMANJJQIUXMQ-UHFFFAOYSA-N
HMDB41385,460.136946988,C23H24O10,CC(=O)OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(O)C(O)C1O,"InChI=1S/C23H24O10/c1-11(24)30-10-19-20(27)21(28)22(29)23(33-19)31-14-5-2-12(3-6-14)17-9-16(26)15-7-4-13(25)8-18(15)32-17/h2-8,17,19-23,25,27-29H,9-10H2,1H3",HKUBLIRXXFRGKE,UHFFFAOYSA,N,6''-Acetylliquiritin,HKUBLIRXXFRGKE-UHFFFAOYSA-N
HMDB41386,338.151809192,C21H22O4,COC1=CC(O)=C(C=C1)C1COC2=CC3=C(C=CC(C)(C)O3)C=C2C1,"InChI=1S/C21H22O4/c1-21(2)7-6-13-8-14-9-15(12-24-19(14)11-20(13)25-21)17-5-4-16(23-3)10-18(17)22/h4-8,10-11,15,22H,9,12H2,1-3H3",DRIPWQOGMJYOPU,UHFFFAOYSA,N,Gancaonin X,DRIPWQOGMJYOPU-UHFFFAOYSA-N
HMDB41387,640.10643472,C30H24O16,OC1C(O)C(OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C30H24O16/c31-13-9-18(36)21-19(10-13)43-25(12-3-5-15(33)17(35)8-12)26(22(21)38)45-30-28(24(40)23(39)27(46-30)29(41)42)44-20(37)6-2-11-1-4-14(32)16(34)7-11/h1-10,23-24,27-28,30-36,39-40H,(H,41,42)/b6-2+",OWFPENLVOZPLQP,QHHAFSJGSA,N,Quercetin 3-(2-caffeoylglucuronoside),OWFPENLVOZPLQP-QHHAFSJGSA-N
HMDB41388,280.203844762,C17H28O3,CC1CCC2C1CC1CCC2(C)OC1(C)COC(C)=O,"InChI=1S/C17H28O3/c1-11-5-6-15-14(11)9-13-7-8-16(15,3)20-17(13,4)10-19-12(2)18/h11,13-15H,5-10H2,1-4H3",DWBIYQVLFODAMM,UHFFFAOYSA,N,Valeracetate,DWBIYQVLFODAMM-UHFFFAOYSA-N
HMDB41389,120.006741636,C4H8S2,CSSCC=C,"InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3",XNZOTQPMYMCTBZ,UHFFFAOYSA,N,Methyl 2-propenyl disulfide,XNZOTQPMYMCTBZ-UHFFFAOYSA-N
HMDB41390,146.0223917,C6H10S2,C\C=C/SS\C=C/C,"InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-6H,1-2H3/b5-3-,6-4-",FHSDVOJKLYJNCQ,GLIMQPGKSA,N,"(E,E)-Di-1-propenyl disulfide",FHSDVOJKLYJNCQ-GLIMQPGKSA-N
HMDB41391,120.006741636,C4H8S2,CSS\C=C/C,"InChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3/b4-3-",FUDUFCLRGSEHAJ,ARJAWSKDSA,N,(E)-Methyl 1-propenyl disulfide,FUDUFCLRGSEHAJ-ARJAWSKDSA-N
HMDB41392,148.038041764,C6H12S2,CCCSS\C=C/C,"InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-",AAPBYIVJOWCMGH,HYXAFXHYSA,N,1-Propenyl propyl disulfide,AAPBYIVJOWCMGH-HYXAFXHYSA-N
HMDB41393,146.0223917,C6H10S2,C\C=C/SSCC=C,"InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4,6H,1,5H2,2H3/b6-4-",KBXOGESWPIVMNJ,XQRVVYSFSA,N,(E)-1-Propenyl 2-propenyl disulfide,KBXOGESWPIVMNJ-XQRVVYSFSA-N
HMDB41394,488.147117744,C28H24O8,CC1(C)OC2=C(C=C1)C1=C(C=CC(=O)O1)C(OC1C(O)C(C)(C)OC3=C1C1=C(C=CC(=O)O1)C=C3)=C2,"InChI=1S/C28H24O8/c1-27(2)12-11-16-19(35-27)13-18(15-7-10-21(30)34-24(15)16)32-25-22-17(36-28(3,4)26(25)31)8-5-14-6-9-20(29)33-23(14)22/h5-13,25-26,31H,1-4H3",SVNBKSLEKBMPRA,UHFFFAOYSA,N,Khelmarin D,SVNBKSLEKBMPRA-UHFFFAOYSA-N
HMDB41395,330.037567296,C16H10O8,COC1=C(OC)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2,"InChI=1S/C16H10O8/c1-21-8-4-6-10-9-5(15(19)24-14(10)12(8)22-2)3-7(17)11(18)13(9)23-16(6)20/h3-4,17-18H,1-2H3",DMPZOHHHRRENRS,UHFFFAOYSA,N,"2,3-Di-O-methylellagic acid",DMPZOHHHRRENRS-UHFFFAOYSA-N
HMDB41396,330.037567296,C16H10O8,COC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1OC)C(=O)O2,"InChI=1S/C16H10O8/c1-21-8-4-6-9-10-5(15(19)23-13(9)11(8)18)3-7(17)12(22-2)14(10)24-16(6)20/h3-4,17-18H,1-2H3",SUBZWRYOAOVYOC,UHFFFAOYSA,N,"2,8-Di-O-methylellagic acid",SUBZWRYOAOVYOC-UHFFFAOYSA-N
HMDB41397,654.143214156,C28H30O18,COC1=C(O)C=C2C(=O)OC3=C4C(=CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)=C3OC)C(=O)OC1=C24,"InChI=1S/C28H30O18/c1-39-20-9(31)3-7-13-14-8(26(38)44-23(13)20)4-10(22(40-2)24(14)45-25(7)37)41-27-19(36)17(34)21(12(6-30)43-27)46-28-18(35)16(33)15(32)11(5-29)42-28/h3-4,11-12,15-19,21,27-36H,5-6H2,1-2H3",NPSMQMOQUDNLHU,UHFFFAOYSA,N,3-Methylellagic acid 2-(4-galactosylglucoside),NPSMQMOQUDNLHU-UHFFFAOYSA-N
HMDB41398,478.147511674,C23H26O11,COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(OC)C=C1,"InChI=1S/C23H26O11/c1-30-11-6-12(25)19-13(26)8-15(32-17(19)7-11)10-3-4-14(31-2)16(5-10)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3",VHGJMSVFUPCQGC,UHFFFAOYSA,N,Persicogenin 3'-glucoside,VHGJMSVFUPCQGC-UHFFFAOYSA-N
HMDB41399,322.120509064,C20H18O4,COC1=CC=C(C=C1)C1=C2C(O)C(O)C(O)C3=CC=CC(C=C1)=C23,"InChI=1S/C20H18O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,18-23H,1H3",UBACNSNNFBHJLG,UHFFFAOYSA,N,"2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol",UBACNSNNFBHJLG-UHFFFAOYSA-N
HMDB41400,342.146723814,C20H22O5,COC1=C(O)C=C2CCC(O)C(C(O)\C=C/C3=CC=C(O)C=C3)C2=C1,"InChI=1S/C20H22O5/c1-25-19-11-15-13(10-18(19)24)5-9-17(23)20(15)16(22)8-4-12-2-6-14(21)7-3-12/h2-4,6-8,10-11,16-17,20-24H,5,9H2,1H3/b8-4-",WCBFHZJDMQCSLQ,YWEYNIOJSA,N,"1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol",WCBFHZJDMQCSLQ-YWEYNIOJSA-N
HMDB41401,356.162373878,C21H24O5,COC1=C(OC)C=C2C(C(O)\C=C/C3=CC=C(O)C=C3)C(O)CCC2=C1,"InChI=1S/C21H24O5/c1-25-19-11-14-6-10-18(24)21(16(14)12-20(19)26-2)17(23)9-5-13-3-7-15(22)8-4-13/h3-5,7-9,11-12,17-18,21-24H,6,10H2,1-2H3/b9-5-",KAYRJPGARKNUEX,UITAMQMPSA,N,"1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-6,7-dimethoxy-2-naphthalenol",KAYRJPGARKNUEX-UITAMQMPSA-N
HMDB41402,140.15650064,C10H20,CCCCC1CCCCC1,"InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3",GGBJHURWWWLEQH,UHFFFAOYSA,N,Butylcyclohexane,GGBJHURWWWLEQH-UHFFFAOYSA-N
HMDB41404,196.18271539,C13H24O,CC1CCCCCCCCCCC1=O,"InChI=1S/C13H24O/c1-12-10-8-6-4-2-3-5-7-9-11-13(12)14/h12H,2-11H2,1H3",JJUNXABENLJLAY,UHFFFAOYSA,N,2-Methylcyclododecanone,JJUNXABENLJLAY-UHFFFAOYSA-N
HMDB41405,300.120902994,C14H20O7,COC1=CC=C(COC2OC(CO)C(O)C(O)C2O)C=C1,"InChI=1S/C14H20O7/c1-19-9-4-2-8(3-5-9)7-20-14-13(18)12(17)11(16)10(6-15)21-14/h2-5,10-18H,6-7H2,1H3",GRBSGJQPRONUPW,UHFFFAOYSA,N,4-Methoxybenzyl glucoside,GRBSGJQPRONUPW-UHFFFAOYSA-N
HMDB41406,210.089208936,C11H14O4,COC1=C(C)C(OC)=C(C(C)=O)C(O)=C1,"InChI=1S/C11H14O4/c1-6-9(14-3)5-8(13)10(7(2)12)11(6)15-4/h5,13H,1-4H3",DUTVTRPNMVUOIS,UHFFFAOYSA,N,Bancroftinone,DUTVTRPNMVUOIS-UHFFFAOYSA-N
HMDB41407,414.204238692,C24H30O6,CC(C)(C=C)C1=CC2=C(O)C3=C(OC(C)(C)C(O)C3O)C(=C2OC1=O)C(C)(C)C=C,"InChI=1S/C24H30O6/c1-9-22(3,4)13-11-12-16(25)14-17(26)20(27)24(7,8)30-19(14)15(23(5,6)10-2)18(12)29-21(13)28/h9-11,17,20,25-27H,1-2H2,3-8H3",AMSRLBLJHNYGNW,UHFFFAOYSA,N,Clausarinol,AMSRLBLJHNYGNW-UHFFFAOYSA-N
HMDB41408,362.172938564,C20H26O6,CC12CCCC3(COC1=O)C1CCC4(O)CC1(C(O)C4=C)C(C23)C(O)=O,"InChI=1S/C20H26O6/c1-10-14(21)20-8-19(10,25)7-4-11(20)18-6-3-5-17(2,16(24)26-9-18)13(18)12(20)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)",TVHWJBUVLOSPPI,UHFFFAOYSA,N,Gibberellin A101,TVHWJBUVLOSPPI-UHFFFAOYSA-N
HMDB41409,535.108780444,C24H23O14,OCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(OC(=O)CC(O)=O)C1O,"InChI=1S/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/p+1",AWPCCUSBXWEBBS,UHFFFAOYSA,O,Cyanidin 3-(3''-malonyl-glucoside),AWPCCUSBXWEBBS-UHFFFAOYSA-O
HMDB41410,206.094294314,C12H14O3,COC1=CC2=C(OC(C)(C)CC2=O)C=C1,"InChI=1S/C12H14O3/c1-12(2)7-10(13)9-6-8(14-3)4-5-11(9)15-12/h4-6H,7H2,1-3H3",ZCZUDOBLRMXOGV,UHFFFAOYSA,N,"2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one",ZCZUDOBLRMXOGV-UHFFFAOYSA-N
HMDB41411,208.109944378,C12H16O3,COC1=CC2=C(OC(C)(C)CC2O)C=C1,"InChI=1S/C12H16O3/c1-12(2)7-10(13)9-6-8(14-3)4-5-11(9)15-12/h4-6,10,13H,7H2,1-3H3",OGDIMNNYYGBSQY,UHFFFAOYSA,N,"3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol",OGDIMNNYYGBSQY-UHFFFAOYSA-N
HMDB41412,742.195643656,C32H38O20,CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3",UPVDFUGORYNXMW,UHFFFAOYSA,N,Quercetin 3-(2Gal-apiosylrobinobioside),UPVDFUGORYNXMW-UHFFFAOYSA-N
HMDB41413,554.199941174,C26H34O13,CC1OC(OCC2OC(OC(C)(C)C3CC4=C(O3)C=C3OC(=O)C=CC3=C4)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C26H34O13/c1-10-18(28)20(30)22(32)24(35-10)34-9-15-19(29)21(31)23(33)25(38-15)39-26(2,3)16-7-12-6-11-4-5-17(27)37-13(11)8-14(12)36-16/h4-6,8,10,15-16,18-25,28-33H,7,9H2,1-3H3",YRSYZKMFCFPXRA,UHFFFAOYSA,N,Marmesin rutinoside,YRSYZKMFCFPXRA-UHFFFAOYSA-N
HMDB41414,350.128486931,C19H23ClO4,C\C(CCC(O)C(C)(C)Cl)=C/COC1=CC=C2C=CC(=O)OC2=C1,"InChI=1S/C19H23ClO4/c1-13(4-8-17(21)19(2,3)20)10-11-23-15-7-5-14-6-9-18(22)24-16(14)12-15/h5-7,9-10,12,17,21H,4,8,11H2,1-3H3/b13-10+",LJKOFXGMGDOURN,JLHYYAGUSA,N,Chloromarmin,LJKOFXGMGDOURN-JLHYYAGUSA-N
HMDB41415,510.21011193,C25H34O11,C\C(=C/COC1=CC=C2C=CC(=O)OC2=C1)C(O)CC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O,"InChI=1S/C25H34O11/c1-13(8-9-33-15-6-4-14-5-7-20(28)34-17(14)10-15)16(27)11-19(25(2,3)32)36-24-23(31)22(30)21(29)18(12-26)35-24/h4-8,10,16,18-19,21-24,26-27,29-32H,9,11-12H2,1-3H3/b13-8+",HLXHWKRKFDBAEQ,MDWZMJQESA,N,Aeglin,HLXHWKRKFDBAEQ-MDWZMJQESA-N
HMDB41416,372.1572885,C21H24O6,COC1=C(O)C2=CC(=C1OC)C1=C(O)C=CC(CC(O)C(=O)CCCC2)=C1,"InChI=1S/C21H24O6/c1-26-20-15-11-13(19(25)21(20)27-2)5-3-4-6-17(23)18(24)10-12-7-8-16(22)14(15)9-12/h7-9,11,18,22,24-25H,3-6,10H2,1-2H3",MZTZAESUYFUQBV,UHFFFAOYSA,N,Hydroxymyricanone,MZTZAESUYFUQBV-UHFFFAOYSA-N
HMDB41417,384.1572885,C22H24O6,COC1=C2C=C(CC(=O)C(=O)CCCCC3=CC2=C(OC)C(OC)=C3O)C=C1,"InChI=1S/C22H24O6/c1-26-19-9-8-13-10-15(19)16-12-14(20(25)22(28-3)21(16)27-2)6-4-5-7-17(23)18(24)11-13/h8-10,12,25H,4-7,11H2,1-3H3",ACTVOSXZOZQENN,UHFFFAOYSA,N,12-Dehydroporson,ACTVOSXZOZQENN-UHFFFAOYSA-N
HMDB41418,436.100561482,C20H20O11,OC[C@@H]1O[C@@H](OC2C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O,"InChI=1S/C20H20O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28H,6H2/t13-,15-,17+,18?,19?,20-/m0/s1",PPDQWYOCNSWEMD,KLDLVKBWSA,N,Taxifolin 3-arabinoside,PPDQWYOCNSWEMD-KLDLVKBWSA-N
HMDB41419,551.214676174,C25H34ClN5O7,CCC1NC(=O)C2C(O)C(Cl)CN2C(=O)C(CC)NC(=O)CC(NC(=O)C(CO)NC1=O)C1=CC=CC=C1,"InChI=1S/C25H34ClN5O7/c1-3-15-22(35)30-18(12-32)23(36)29-17(13-8-6-5-7-9-13)10-19(33)27-16(4-2)25(38)31-11-14(26)21(34)20(31)24(37)28-15/h5-9,14-18,20-21,32,34H,3-4,10-12H2,1-2H3,(H,27,33)(H,28,37)(H,29,36)(H,30,35)",COQCSFSVIYKVMO,UHFFFAOYSA,N,Astin I,COQCSFSVIYKVMO-UHFFFAOYSA-N
HMDB41420,1858.230883084,C83H62O50,OC(C1OC(=O)C2=C(C(O)=C(O)C(OC3=C(C=C(O)C(O)=C3O)C(=O)OC3C(O)OC4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(C=C(O)C(O)=C5O)C(=O)OC4C3OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(C=C(O)C(O)=C2O)C(=O)OCC1O)C1=C(O)C2=C(OC(C(O)C2)C2=CC=C(O)C(O)=C2)C=C1O,"InChI=1S/C83H62O50/c84-27-2-1-17(3-28(27)85)67-38(95)6-19-40(125-67)14-29(86)49(50(19)97)65(112)71-72(69-39(96)15-123-76(115)20-7-32(89)52(99)59(106)43(20)45-22(78(117)128-69)9-34(91)54(101)61(45)108)132-80(119)24-11-36(93)56(103)63(110)47(24)48-25(81(120)130-71)13-41(58(105)64(48)111)126-68-26(12-37(94)57(104)66(68)113)82(121)133-74-73(131-75(114)18-4-30(87)51(98)31(88)5-18)70-42(127-83(74)122)16-124-77(116)21-8-33(90)53(100)60(107)44(21)46-23(79(118)129-70)10-35(92)55(102)62(46)109/h1-5,7-14,38-39,42,65,67,69-74,83-113,122H,6,15-16H2",HQDHUGSORVCVJK,UHFFFAOYSA,N,Camelliatannin D,HQDHUGSORVCVJK-UHFFFAOYSA-N
HMDB41421,485.273715239,C23H39N3O8,CCC(C)C1NC(=O)C(OC(=O)C(NC(=O)C(C)NC(=O)C(OC1=O)C(C)C)C(C)O)C(C)C,"InChI=1S/C23H39N3O8/c1-9-12(6)15-22(31)33-17(10(2)3)20(29)24-13(7)19(28)26-16(14(8)27)23(32)34-18(11(4)5)21(30)25-15/h10-18,27H,9H2,1-8H3,(H,24,29)(H,25,30)(H,26,28)",ZZZCVVSDKFDQJU,UHFFFAOYSA,N,Sarcodon scabrosus Depsipeptide,ZZZCVVSDKFDQJU-UHFFFAOYSA-N
HMDB41422,254.224580204,C16H30O2,CC(C)CCCCCC\C=C\CCCCC(O)=O,"InChI=1S/C16H30O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h4,6,15H,3,5,7-14H2,1-2H3,(H,17,18)/b6-4+",PLEXOMFVUZNSTQ,GQCTYLIASA,N,(Z)-14-Methyl-6-pentadecenoic acid,PLEXOMFVUZNSTQ-GQCTYLIASA-N
HMDB41423,632.241018128,C39H36O8,CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=C(C=C2O)C2=CC3=C(O2)C=C(O)C=C3)C2=CC=C(O)C=C2)=C1O,"InChI=1S/C39H36O8/c1-20(2)4-11-27-31(42)13-12-28(38(27)45)39(46)36-29(22-5-8-25(40)9-6-22)14-21(3)15-30(36)37-32(43)16-24(17-33(37)44)34-18-23-7-10-26(41)19-35(23)47-34/h4-10,12-13,15-19,29-30,36,40-45H,11,14H2,1-3H3",RQIKMRKKKIMUNB,UHFFFAOYSA,N,Mulberrofuran E,RQIKMRKKKIMUNB-UHFFFAOYSA-N
HMDB41424,594.449554338,C35H62O7,CCCCCC(O)CCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O,"InChI=1S/C35H62O7/c1-3-4-11-17-28(36)18-14-15-20-30(38)32-22-24-34(42-32)33-23-21-31(41-33)29(37)19-13-10-8-6-5-7-9-12-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3",FHAJQHKTDUHPCJ,UHFFFAOYSA,N,Atemoyacin B,FHAJQHKTDUHPCJ-UHFFFAOYSA-N
HMDB41425,266.151809192,C15H22O4,CCC(C)C(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O,"InChI=1S/C15H22O4/c1-7-8(2)10(16)9-11(17)14(3,4)13(19)15(5,6)12(9)18/h8-9H,7H2,1-6H3",ZDZMTTISWJCOAE,UHFFFAOYSA,N,Isoleptospermone,ZDZMTTISWJCOAE-UHFFFAOYSA-N
HMDB41426,142.062994186,C7H10O3,CC1CC(=O)C=C(CO)O1,"InChI=1S/C7H10O3/c1-5-2-6(9)3-7(4-8)10-5/h3,5,8H,2,4H2,1H3",FXGUGSUNHREWBM,UHFFFAOYSA,N,Erinapyrone A,FXGUGSUNHREWBM-UHFFFAOYSA-N
HMDB41427,142.062994186,C7H10O3,CC1=CC(=O)CC(CO)O1,"InChI=1S/C7H10O3/c1-5-2-6(9)3-7(4-8)10-5/h2,7-8H,3-4H2,1H3",ULVSURGNEAHOBK,UHFFFAOYSA,N,Erinapyrone B,ULVSURGNEAHOBK-UHFFFAOYSA-N
HMDB41428,612.460119024,C35H64O8,CCCCCCCCCCCCCCCC(O)C(O)C(O)C(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30(37)32(38)34(40)33(39)31-23-22-29(43-31)20-17-15-16-19-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3",XOUCXCFOSIBFAD,UHFFFAOYSA,N,Muricatalin,XOUCXCFOSIBFAD-UHFFFAOYSA-N
HMDB41429,622.44446896,C36H62O8,CCCCCC(O)C1CCC(O1)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C36H62O8/c1-3-4-11-15-28(38)30-17-19-32(42-30)34-21-22-35(44-34)33-20-18-31(43-33)29(39)16-13-10-8-6-5-7-9-12-14-27(37)24-26-23-25(2)41-36(26)40/h23,25,27-35,37-39H,3-22,24H2,1-2H3",LSLPYJYSYKQINA,UHFFFAOYSA,N,Squamosinin A,LSLPYJYSYKQINA-UHFFFAOYSA-N
HMDB41430,507.334858933,C32H45NO4,CC1CC2CCC(O)C(C)=CC3C(C)=C(CCC33CCCN=C3CC\C=C(C)\C1O2)C1OC(=O)C(C)=C1,"InChI=1S/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+",DVXZVCNEGRKLMW,DCJZOFSYSA,N,Gymnodimine,DVXZVCNEGRKLMW-DCJZOFSYSA-N
HMDB41431,642.24783484,C38H34N4O6,OC1=CC=C(\C=C\C(=O)NCCC2=CNC3=C2C(=C(O)C=C3)C2=C(O)C=CC3=C2C(CCNC(=O)\C=C\C2=CC=C(O)C=C2)=CN3)C=C1,"InChI=1S/C38H34N4O6/c43-27-7-1-23(2-8-27)5-15-33(47)39-19-17-25-21-41-29-11-13-31(45)37(35(25)29)38-32(46)14-12-30-36(38)26(22-42-30)18-20-40-34(48)16-6-24-3-9-28(44)10-4-24/h1-16,21-22,41-46H,17-20H2,(H,39,47)(H,40,48)/b15-5+,16-6+",OIUNULHHOJRJBI,IAGONARPSA,N,"(E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin)",OIUNULHHOJRJBI-IAGONARPSA-N
HMDB41432,672.258399526,C39H36N4O7,COC1=C(O)C=CC(\C=C\C(=O)NCCC2=CNC3=C2C(=C(O)C=C3)C2=C(O)C=CC3=C2C(CCNC(=O)\C=C\C2=CC=C(O)C=C2)=CN3)=C1,"InChI=1S/C39H36N4O7/c1-50-33-20-24(4-11-30(33)45)6-15-35(49)41-19-17-26-22-43-29-10-13-32(47)39(37(26)29)38-31(46)12-9-28-36(38)25(21-42-28)16-18-40-34(48)14-5-23-2-7-27(44)8-3-23/h2-15,20-22,42-47H,16-19H2,1H3,(H,40,48)(H,41,49)/b14-5+,15-6+",ZPNFTINOYMQICL,PWSZKDBUSA,N,4-[N-(p-Coumaroyl)serotonin-4''-yl]-N-feruloylserotonin,ZPNFTINOYMQICL-PWSZKDBUSA-N
HMDB41433,702.268964212,C40H38N4O8,COC1=C(O)C=CC(\C=C\C(=O)NCCC2=CNC3=C2C(=C(O)C=C3)C2=C(O)C=CC3=C2C(CCNC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CN3)=C1,"InChI=1S/C40H38N4O8/c1-51-33-19-23(3-9-29(33)45)5-13-35(49)41-17-15-25-21-43-27-7-11-31(47)39(37(25)27)40-32(48)12-8-28-38(40)26(22-44-28)16-18-42-36(50)14-6-24-4-10-30(46)34(20-24)52-2/h3-14,19-22,43-48H,15-18H2,1-2H3,(H,41,49)(H,42,50)/b13-5+,14-6+",URHRFQQPWDNDQE,ACFHMISVSA,N,"4,4''-bis(N-feruloyl)serotonin",URHRFQQPWDNDQE-ACFHMISVSA-N
HMDB41434,670.21625994,C36H34N2O11,COC1=CC2=C(C(O)=C1C1C(OC3=C1C1=C(C(O)=C3)C(=O)C3=C(N1C)C(OC)=C(O)C=C3)C(C)(C)O)C(=O)C1=C(N2)C(OC)=C(OC)C=C1,"InChI=1S/C36H34N2O11/c1-36(2,44)35-26(24-21(49-35)13-18(40)23-29(24)38(3)28-15(31(23)42)8-10-17(39)33(28)47-6)25-20(46-5)12-16-22(32(25)43)30(41)14-9-11-19(45-4)34(48-7)27(14)37-16/h8-13,26,35,39-40,43-44H,1-7H3,(H,37,41)",VNOSLNLEVFTHKG,UHFFFAOYSA,N,Citbismine B,VNOSLNLEVFTHKG-UHFFFAOYSA-N
HMDB41435,684.231910004,C37H36N2O11,COC1=CC2=C(C(O)=C1C1C(OC3=C1C1=C(C(O)=C3)C(=O)C3=C(N1C)C(OC)=C(O)C=C3)C(C)(C)O)C(=O)C1=C(N2C)C(OC)=C(OC)C=C1,"InChI=1S/C37H36N2O11/c1-37(2,45)36-27(25-22(50-36)14-19(41)24-30(25)39(4)28-15(32(24)43)9-11-18(40)34(28)48-7)26-21(47-6)13-17-23(33(26)44)31(42)16-10-12-20(46-5)35(49-8)29(16)38(17)3/h9-14,27,36,40-41,44-45H,1-8H3",BDURUBOYNAVRCF,UHFFFAOYSA,N,Citbismine C,BDURUBOYNAVRCF-UHFFFAOYSA-N
HMDB41436,670.21625994,C36H34N2O11,COC1=CC2=C(C(O)=C1C1C(OC3=C1C1=C(C(O)=C3)C(=O)C3=C(N1C)C(OC)=C(O)C=C3)C(C)(C)O)C(=O)C1=C(N2C)C(OC)=C(O)C=C1,"InChI=1S/C36H34N2O11/c1-36(2,45)35-26(24-21(49-35)13-19(41)23-29(24)38(4)28-15(31(23)43)9-11-18(40)34(28)48-7)25-20(46-5)12-16-22(32(25)44)30(42)14-8-10-17(39)33(47-6)27(14)37(16)3/h8-13,26,35,39-41,44-45H,1-7H3",CWDCMHOLSPPPAS,UHFFFAOYSA,N,Citbismine E,CWDCMHOLSPPPAS-UHFFFAOYSA-N
HMDB41437,722.247560068,C40H38N2O11,COC1=C(O)C=CC2=C1N(C)C1=C(C(O)=CC3=C1C(C(O3)C(C)(C)O)C1=C(O)C3=C(N(C)C4=C(C=CC(O)=C4OC)C3=O)C3=C1OC(C)(C)C=C3)C2=O,"InChI=1S/C40H38N2O11/c1-39(2)14-13-18-28-27(33(47)17-10-12-19(43)36(50-7)29(17)41(28)5)34(48)26(35(18)53-39)25-24-22(52-38(25)40(3,4)49)15-21(45)23-31(24)42(6)30-16(32(23)46)9-11-20(44)37(30)51-8/h9-15,25,38,43-45,48-49H,1-8H3",YDFOOKXFYDNPMQ,UHFFFAOYSA,N,Citbismine D,YDFOOKXFYDNPMQ-UHFFFAOYSA-N
HMDB41438,330.132805084,C16H18N4O4,CC1ON(CCC2=CNC=N2)C(=O)C1NC(=O)C1=C(O)C=CC=C1,"InChI=1S/C16H18N4O4/c1-10-14(19-15(22)12-4-2-3-5-13(12)21)16(23)20(24-10)7-6-11-8-17-9-18-11/h2-5,8-10,14,21H,6-7H2,1H3,(H,17,18)(H,19,22)",XYEWTJQWOJBDBL,UHFFFAOYSA,N,Pseudomonine,XYEWTJQWOJBDBL-UHFFFAOYSA-N
HMDB41439,279.125928793,C18H17NO2,CN(\C=C\C1=CC=CC=C1)C(=O)C1OC1C1=CC=CC=C1,"InChI=1S/C18H17NO2/c1-19(13-12-14-8-4-2-5-9-14)18(20)17-16(21-17)15-10-6-3-7-11-15/h2-13,16-17H,1H3/b13-12+",SZEAIHVOVOPANP,OUKQBFOZSA,N,N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide,SZEAIHVOVOPANP-OUKQBFOZSA-N
HMDB41440,194.105527702,C10H14N2O2,CC1CCNC2=C(C(C)=O)C(=O)NC12,"InChI=1S/C10H14N2O2/c1-5-3-4-11-9-7(6(2)13)10(14)12-8(5)9/h5,8,11H,3-4H2,1-2H3,(H,12,14)",DAMBAJDWLIFTNW,UHFFFAOYSA,N,Laccarin,DAMBAJDWLIFTNW-UHFFFAOYSA-N
HMDB41441,378.110338308,C22H18O6,CC(C1=C(O)C2=C(C)C=CC=C2OC1=O)C1=C(O)C2=C(C)C=CC=C2OC1=O,"InChI=1S/C22H18O6/c1-10-6-4-8-13-15(10)19(23)17(21(25)27-13)12(3)18-20(24)16-11(2)7-5-9-14(16)28-22(18)26/h4-9,12,23-24H,1-3H3",DVOGDIBWOOVRGI,UHFFFAOYSA,N,11-Methylgerberinol,DVOGDIBWOOVRGI-UHFFFAOYSA-N
HMDB41442,220.073558872,C12H12O4,CC(=O)\C=C(/O)\C=C/C1=CC(O)=C(O)C=C1,"InChI=1S/C12H12O4/c1-8(13)6-10(14)4-2-9-3-5-11(15)12(16)7-9/h2-7,14-16H,1H3/b4-2-,10-6-",QDVIEIMMEUCFMW,IMVLGZNNSA,N,Hispolone,QDVIEIMMEUCFMW-IMVLGZNNSA-N
HMDB41443,225.078978601,C14H11NO2,COC1=CC=CC2=C1NC1=C2C=C(C=O)C=C1,"InChI=1S/C14H11NO2/c1-17-13-4-2-3-10-11-7-9(8-16)5-6-12(11)15-14(10)13/h2-8,15H,1H3",KSTPFEFAPRYLOZ,UHFFFAOYSA,N,Mukolidine,KSTPFEFAPRYLOZ-UHFFFAOYSA-N
HMDB41444,227.094628665,C14H13NO2,COC1=CC=CC2=C1NC1=C2C=C(CO)C=C1,"InChI=1S/C14H13NO2/c1-17-13-4-2-3-10-11-7-9(8-16)5-6-12(11)15-14(10)13/h2-7,15-16H,8H2,1H3",SGZIASPZRSVPDJ,UHFFFAOYSA,N,Mukoline,SGZIASPZRSVPDJ-UHFFFAOYSA-N
HMDB41445,206.141913208,C12H18N2O,CC1=C2NC(C)(C)CC2=NC(C)(C)C1=O,"InChI=1S/C12H18N2O/c1-7-9-8(6-11(2,3)14-9)13-12(4,5)10(7)15/h14H,6H2,1-5H3",OTBGQBSPIWKINO,UHFFFAOYSA,N,Agrocybenine,OTBGQBSPIWKINO-UHFFFAOYSA-N
HMDB41446,345.194008357,C20H27NO4,CC(C)C1=C(O)C(O)=C2C(=C1)C(N)C1OC(=O)C22CCCC(C)(C)C12,"InChI=1S/C20H27NO4/c1-9(2)10-8-11-12(15(23)14(10)22)20-7-5-6-19(3,4)17(20)16(13(11)21)25-18(20)24/h8-9,13,16-17,22-23H,5-7,21H2,1-4H3",NFXKGLBUURRKEA,UHFFFAOYSA,N,Rosmaricine,NFXKGLBUURRKEA-UHFFFAOYSA-N
HMDB41447,266.094294314,C17H14O3,OC1=CC=C(OC\C=C/C#CC2=CC=C(O)C=C2)C=C1,"InChI=1S/C17H14O3/c18-15-7-5-14(6-8-15)4-2-1-3-13-20-17-11-9-16(19)10-12-17/h1,3,5-12,18-19H,13H2/b3-1-",GXRXAVMCQJHRCM,IWQZZHSRSA,N,(E)-4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenol,GXRXAVMCQJHRCM-IWQZZHSRSA-N
HMDB41448,230.116292084,C12H22S2,C1CCC(CC1)SSC1CCCCC1,"InChI=1S/C12H22S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h11-12H,1-10H2",ODHAQPXNQDBHSH,UHFFFAOYSA,N,Dicyclohexyl disulfide,ODHAQPXNQDBHSH-UHFFFAOYSA-N
HMDB41449,198.161979948,C12H22O2,CC(CCOCC=O)CCC=C(C)C,"InChI=1S/C12H22O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,8,12H,4,6-7,9-10H2,1-3H3",LMETVDMCIJNNKH,UHFFFAOYSA,N,"[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde",LMETVDMCIJNNKH-UHFFFAOYSA-N
HMDB41450,304.073558872,C19H12O4,OC1=CC=C(C=C1)C1=C2C(=O)C(O)=C(O)C3=CC=CC(C=C1)=C23,"InChI=1S/C19H12O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,20-21,23H",CFIUGIYVJPSAET,UHFFFAOYSA,N,Musanolone E,CFIUGIYVJPSAET-UHFFFAOYSA-N
HMDB41451,318.089208936,C20H14O4,COC1=C(O)C=CC(=C1)C1=C2C(=O)C(O)=CC3=CC=CC(C=C1)=C23,"InChI=1S/C20H14O4/c1-24-17-10-12(6-8-15(17)21)14-7-5-11-3-2-4-13-9-16(22)20(23)19(14)18(11)13/h2-10,21-22H,1H3",GMSAUUARBZSDEJ,UHFFFAOYSA,N,Musanolone F,GMSAUUARBZSDEJ-UHFFFAOYSA-N
HMDB41452,336.099773622,C20H16O5,COC1=C(O)C=CC(=C1)C1=C2C(=O)C(O)C(O)C3=CC=CC(C=C1)=C23,"InChI=1S/C20H16O5/c1-25-15-9-11(6-8-14(15)21)12-7-5-10-3-2-4-13-16(10)17(12)19(23)20(24)18(13)22/h2-9,18,20-22,24H,1H3",IXESIDXHOPLUCB,UHFFFAOYSA,N,Musanolone D,IXESIDXHOPLUCB-UHFFFAOYSA-N
HMDB41453,374.282095082,C24H38O3,CCCCCCCC\C=C\CCCCCCCC1=C(C(O)=O)C(O)=CC=C1,"InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h9-10,17,19-20,25H,2-8,11-16,18H2,1H3,(H,26,27)/b10-9+",NRSDQEWAMHRTMK,MDZDMXLPSA,N,D8'-Merulinic acid C,NRSDQEWAMHRTMK-MDZDMXLPSA-N
HMDB41454,390.277009704,C24H38O4,CCCCCCCC\C=C\CCCCCCCC1=CC(O)=CC(O)=C1C(O)=O,"InChI=1S/C24H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25)19-22(26)23(20)24(27)28/h9-10,18-19,25-26H,2-8,11-17H2,1H3,(H,27,28)/b10-9+",IXDZSQUQSCLSSD,MDZDMXLPSA,N,D8'-Merulinic acid A,IXDZSQUQSCLSSD-MDZDMXLPSA-N
HMDB41455,446.121296924,C22H22O10,COC1=CC=C(C=C1)C1=C(O)C(=O)C2=CC(O)=C(OC3OC(C)C(O)C(O)C3O)C=C2O1,"InChI=1S/C22H22O10/c1-9-16(24)18(26)20(28)22(30-9)32-15-8-14-12(7-13(15)23)17(25)19(27)21(31-14)10-3-5-11(29-2)6-4-10/h3-9,16,18,20,22-24,26-28H,1-2H3",ICWFJNMXUFYHBV,UHFFFAOYSA,N,"3,6,7-Trihydroxy-4'-methoxyflavone 7-rhamnoside",ICWFJNMXUFYHBV-UHFFFAOYSA-N
HMDB41456,902.248073156,C42H46O22,CC1OC(OC2C(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5OC(=O)\C=C\C5=CC=C(O)C=C5)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C42H46O22/c1-16-28(49)32(53)35(56)40(57-16)64-39-34(55)30(51)25(15-44)61-42(39)63-37-31(52)27-22(47)12-21(13-23(27)59-36(37)18-5-9-20(46)10-6-18)58-41-38(33(54)29(50)24(14-43)60-41)62-26(48)11-4-17-2-7-19(45)8-3-17/h2-13,16,24-25,28-30,32-35,38-47,49-51,53-56H,14-15H2,1H3/b11-4+",UDSPVVBVMAWQTL,NYYWCZLTSA,N,Kaempferol 3-neohesperidoside-7-(2''-p-coumarylglucoside),UDSPVVBVMAWQTL-NYYWCZLTSA-N
HMDB41457,932.258637842,C43H48O23,COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3=CC(O)=C4C(OC(C5=CC=C(O)C=C5)=C(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4=O)=C3)OC(CO)C(O)C2O)=C1,"InChI=1S/C43H48O23/c1-16-29(50)33(54)36(57)41(59-16)66-40-35(56)31(52)26(15-45)63-43(40)65-38-32(53)28-22(48)12-20(13-24(28)61-37(38)18-5-7-19(46)8-6-18)60-42-39(34(55)30(51)25(14-44)62-42)64-27(49)10-4-17-3-9-21(47)23(11-17)58-2/h3-13,16,25-26,29-31,33-36,39-48,50-52,54-57H,14-15H2,1-2H3/b10-4+",XOYKGTADBOSUQR,ONNFQVAWSA,N,Kaempferol 3-neohesperidoside-7-(2''-ferulylglucoside),XOYKGTADBOSUQR-ONNFQVAWSA-N
HMDB41458,1064.300896586,C48H56O27,CC1OC(OC2C(OC3=C(OC4=CC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC(=O)\C=C\C5=CC=C(O)C=C5)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C48H56O27/c1-17-30(56)35(61)38(64)45(66-17)75-43-37(63)32(58)26(15-50)70-47(43)74-42-34(60)29-23(54)12-22(13-24(29)68-40(42)19-5-9-21(53)10-6-19)67-48-44(72-28(55)11-4-18-2-7-20(52)8-3-18)41(33(59)27(16-51)71-48)73-46-39(65)36(62)31(57)25(14-49)69-46/h2-13,17,25-27,30-33,35-39,41,43-54,56-59,61-65H,14-16H2,1H3/b11-4+",OUYDFTJZSVOQJE,NYYWCZLTSA,N,Kaempferol 3-neohesperidoside-7-(2''-p-coumaryllaminaribioside),OUYDFTJZSVOQJE-NYYWCZLTSA-N
HMDB41459,576.147905604,C27H28O14,CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)",WWGLAVUKYJELNJ,UHFFFAOYSA,N,Chamaemeloside,WWGLAVUKYJELNJ-UHFFFAOYSA-N
HMDB41460,212.120115134,C15H16O,CC(=C)C1=CC2=C(CO)C=CC2=C(C)C=C1,"InChI=1S/C15H16O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-8,16H,1,9H2,2-3H3",UELYVRHCROBZCL,UHFFFAOYSA,N,Deterrol,UELYVRHCROBZCL-UHFFFAOYSA-N
HMDB41461,208.073558872,C11H12O4,COC1=C2OCOC2=CC(=C1)C(O)C=C,"InChI=1S/C11H12O4/c1-3-8(12)7-4-9(13-2)11-10(5-7)14-6-15-11/h3-5,8,12H,1,6H2,2H3",LCVLPWQYHIJWCD,UHFFFAOYSA,N,Anthriscinol,LCVLPWQYHIJWCD-UHFFFAOYSA-N
HMDB41462,302.094294314,C20H14O3,COC1=CC=C(C=C1)C1=C2C=C(O)C(=O)C3=CC=CC(C=C1)=C23,"InChI=1S/C20H14O3/c1-23-14-8-5-12(6-9-14)15-10-7-13-3-2-4-16-19(13)17(15)11-18(21)20(16)22/h2-11,21H,1H3",PVZKBQMWQRUUFI,UHFFFAOYSA,N,2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one,PVZKBQMWQRUUFI-UHFFFAOYSA-N
HMDB41463,320.104859,C20H16O4,COC1=CC=C(C=C1)C1=C2C(O)C(O)C(=O)C3=CC=CC(C=C1)=C23,"InChI=1S/C20H16O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,19-20,22-23H,1H3",GMMBTTCHJJMJKQ,UHFFFAOYSA,N,"2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one",GMMBTTCHJJMJKQ-UHFFFAOYSA-N
HMDB41464,590.41825421,C35H58O7,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1,"InChI=1S/C35H58O7/c1-30(2)16-21-20-8-9-24-32(4)12-11-26(42-29-28(40)27(39)22(37)18-41-29)33(5,19-36)23(32)10-13-35(24,7)34(20,6)15-14-31(21,3)25(38)17-30/h8,21-29,36-40H,9-19H2,1-7H3",SYUYZPNEOBRDLE,UHFFFAOYSA,N,Melilotoside A,SYUYZPNEOBRDLE-UHFFFAOYSA-N
HMDB41465,752.47107764,C41H68O12,CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1,"InChI=1S/C41H68O12/c1-36(2)16-22-21-8-9-26-38(4)12-11-28(39(5,20-43)25(38)10-13-41(26,7)40(21,6)15-14-37(22,3)27(45)17-36)52-35-33(29(46)23(44)19-50-35)53-34-32(49)31(48)30(47)24(18-42)51-34/h8,22-35,42-49H,9-20H2,1-7H3",AXJVNOOPMFNEHF,UHFFFAOYSA,N,Melilotoside B,AXJVNOOPMFNEHF-UHFFFAOYSA-N
HMDB41466,898.528986448,C47H78O16,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)C(O)C1O,"InChI=1S/C47H78O16/c1-22-31(52)34(55)36(57)39(59-22)62-38-35(56)33(54)26(19-48)60-41(38)63-37-32(53)25(50)20-58-40(37)61-30-12-13-44(5)27(45(30,6)21-49)11-14-47(8)28(44)10-9-23-24-17-42(2,3)18-29(51)43(24,4)15-16-46(23,47)7/h9,22,24-41,48-57H,10-21H2,1-8H3",HSIIGHDIPGINSY,UHFFFAOYSA,N,Melilotoside C,HSIIGHDIPGINSY-UHFFFAOYSA-N
HMDB41467,1030.571245192,C52H86O20,CC1OC(OC2C(OC3C(O)C(O)COC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(O)C6(C)CCC54C)C3(C)CO)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C52H86O20/c1-23-33(58)37(62)39(64)44(67-23)72-42-40(70-43-38(63)34(59)26(55)20-65-43)36(61)28(19-53)68-46(42)71-41-35(60)27(56)21-66-45(41)69-32-12-13-49(5)29(50(32,6)22-54)11-14-52(8)30(49)10-9-24-25-17-47(2,3)18-31(57)48(25,4)15-16-51(24,52)7/h9,23,25-46,53-64H,10-22H2,1-8H3",MKFBJAPUHISATM,UHFFFAOYSA,N,Melilotoside D,MKFBJAPUHISATM-UHFFFAOYSA-N
HMDB41468,257.068807845,C14H11NO4,CN1C2=C(C(O)=CC(O)=C2)C(=O)C2=C1C(O)=CC=C2,"InChI=1S/C14H11NO4/c1-15-9-5-7(16)6-11(18)12(9)14(19)8-3-2-4-10(17)13(8)15/h2-6,16-18H,1H3",SGESJKUDNYVWMW,UHFFFAOYSA,N,"1,3,5-Trihydroxy-10-methylacridone",SGESJKUDNYVWMW-UHFFFAOYSA-N
HMDB41469,196.146329884,C12H20O2,CC1CCC(CC1OC(C)=O)C(C)=C,"InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3",TUSIZTVSUSBSQI,UHFFFAOYSA,N,Dihydrocarveol acetate,TUSIZTVSUSBSQI-UHFFFAOYSA-N
HMDB41470,756.21129372,C33H40O20,COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)(CO)C2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C33H40O20/c1-11-20(38)23(41)25(43)30(49-11)47-8-18-21(39)24(42)28(53-32-29(44)33(45,9-34)10-48-32)31(51-18)52-27-22(40)19-15(37)6-13(35)7-17(19)50-26(27)12-3-4-14(36)16(5-12)46-2/h3-7,11,18,20-21,23-25,28-32,34-39,41-45H,8-10H2,1-2H3",IMRLHOSTHAEDEL,UHFFFAOYSA,N,Isorhamnetin 3-(2G-apiosylrutinoside),IMRLHOSTHAEDEL-UHFFFAOYSA-N
HMDB41471,800.492207012,C42H72O14,CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3C(O)CC21C,"InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)54-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(38(3,4)35(39)23(46)17-41(26,40)7)55-36-33(51)31(49)29(47)24(18-43)53-36/h10,21-37,43-52H,9,11-19H2,1-8H3",AVTXSAWPGCSYFO,UHFFFAOYSA,N,Ginsenoside Ia,AVTXSAWPGCSYFO-UHFFFAOYSA-N
HMDB41472,164.083729628,C10H12O2,CC(=O)OCC1=CC=CC=C1C,"InChI=1S/C10H12O2/c1-8-5-3-4-6-10(8)7-12-9(2)11/h3-6H,7H2,1-2H3",BKKDUUVBVHYZFA,UHFFFAOYSA,N,2-Methylbenzyl alcohol acetate,BKKDUUVBVHYZFA-UHFFFAOYSA-N
HMDB41473,164.083729628,C10H12O2,CC(=O)OCC1=CC=CC(C)=C1,"InChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)7-12-9(2)11/h3-6H,7H2,1-2H3",QPTQLFCBVFKFLY,UHFFFAOYSA,N,(3-Methylphenyl)methyl acetate,QPTQLFCBVFKFLY-UHFFFAOYSA-N
HMDB41474,126.068079564,C7H10O2,CC(C)C1OC(=O)C=C1,"InChI=1S/C7H10O2/c1-5(2)6-3-4-7(8)9-6/h3-6H,1-2H3",LWFKYUIZWLTJCA,UHFFFAOYSA,N,xi-5-Isopropyl-2(5H)-furanone,LWFKYUIZWLTJCA-UHFFFAOYSA-N
HMDB41475,106.045235632,C4H10OS,CC(O)CCS,"InChI=1S/C4H10OS/c1-4(5)2-3-6/h4-6H,2-3H2,1H3",WHGYPRRJIBXGKB,UHFFFAOYSA,N,4-Mercapto-2-butanol,WHGYPRRJIBXGKB-UHFFFAOYSA-N
HMDB41476,120.060885696,C5H12OS,CSCCC(C)O,"InChI=1S/C5H12OS/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3",BQFFCKMCUHRYIN,UHFFFAOYSA,N,4-(Methylthio)-2-butanol,BQFFCKMCUHRYIN-UHFFFAOYSA-N
HMDB41477,146.112921266,C8H18S,CCCCC(CC)CS,"InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3",UCJMHYXRQZYNNL,UHFFFAOYSA,N,2-Ethyl-1-hexanethiol,UCJMHYXRQZYNNL-UHFFFAOYSA-N
HMDB41478,480.527016798,C33H68O,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C33H68O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h34H,2-33H2,1H3",ZERSFCCIRKUIFX,UHFFFAOYSA,N,1-Tritriacontanol,ZERSFCCIRKUIFX-UHFFFAOYSA-N
HMDB41479,886.944483148,C61H122O2,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H122O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-63-61(62)59-57-55-53-51-49-47-45-43-41-39-37-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-60H2,1-2H3",INEGPTBZICBFNP,UHFFFAOYSA,N,Tritriacontyl octacosanoate,INEGPTBZICBFNP-UHFFFAOYSA-N
HMDB41480,282.255880332,C18H34O2,CCCC\C=C\CCCCCCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5+",BDLLSHRIFPDGQB,AATRIKPKSA,N,(Z)-13-Octadecenoic acid,BDLLSHRIFPDGQB-AATRIKPKSA-N
HMDB41481,192.07864425,C11H12O3,CC(=O)CCC1=CC2=C(OCO2)C=C1,"InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3",TZJLGGWGVLADDN,UHFFFAOYSA,N,"4-(3,4-Methylenedioxyphenyl)-2-butanone",TZJLGGWGVLADDN-UHFFFAOYSA-N
HMDB41482,204.151415262,C14H20O,CCCC(=O)C(CC)CC1=CC=CC=C1,"InChI=1S/C14H20O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3",CGTCWTIGDNJZOX,UHFFFAOYSA,N,3-Benzyl-4-heptanone,CGTCWTIGDNJZOX-UHFFFAOYSA-N
HMDB41484,155.040484605,C7H9NOS,CC(=O)C1=C(C)N=C(C)S1,InChI=1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3,BLQOKWQUTLNKON,UHFFFAOYSA,N,"5-Acetyl-2,4-dimethylthiazole",BLQOKWQUTLNKON-UHFFFAOYSA-N
HMDB41485,136.0524295,C8H8O2,O=COCC1=CC=CC=C1,"InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2",UYWQUFXKFGHYNT,UHFFFAOYSA,N,Benzyl formate,UYWQUFXKFGHYNT-UHFFFAOYSA-N
HMDB41487,356.13186161,C13H24O11,COC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C13H24O11/c1-22-11-8(19)6(17)7(18)9(20)12(11)24-13-10(21)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3",RSYNCMYDVZFZBP,UHFFFAOYSA,N,D-Pinitol 2-O-alpha-D-Galactopyranosyl,RSYNCMYDVZFZBP-UHFFFAOYSA-N
HMDB41488,275.152143543,C16H21NO3,CC(C)CNC(=O)\C=C\CCC1=CC=C2OCOC2=C1,"InChI=1S/C16H21NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,17,18)/b6-4+",CSGDXLXTJVRNEA,GQCTYLIASA,N,"4,5-Dihydropiperlonguminine",CSGDXLXTJVRNEA-GQCTYLIASA-N
HMDB41489,560.174120354,C24H32O15,OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2C(O)COC(OC3COC(O)C(O)C3O)C2O)C1O,"InChI=1S/C24H32O15/c25-11-4-1-10(2-5-11)3-6-15(27)34-8-13-17(29)19(31)24(38-13)39-21-12(26)7-36-23(20(21)32)37-14-9-35-22(33)18(30)16(14)28/h1-6,12-14,16-26,28-33H,7-9H2/b6-3+",UCYLGUASAJXASI,ZZXKWVIFSA,N,5''-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside,UCYLGUASAJXASI-ZZXKWVIFSA-N
HMDB41490,196.18271539,C13H24O,CC(CCCC(C)=O)CCC=C(C)C,"InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,12H,5-6,8-10H2,1-4H3",LGVYUZVANMHKHV,UHFFFAOYSA,N,Dihydrogeranylacetone,LGVYUZVANMHKHV-UHFFFAOYSA-N
HMDB41491,118.045235632,C5H10OS,CSC(C)CC=O,"InChI=1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3",NCBDFIPMWRKPDU,UHFFFAOYSA,N,3-(Methylthio)butanal,NCBDFIPMWRKPDU-UHFFFAOYSA-N
HMDB41493,162.10446507,C11H14O,CC(C)C1=CC=C(CC=O)C=C1,"InChI=1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3",FSKGFRBHGXIDSA,UHFFFAOYSA,N,4-Isopropylphenylacetaldehyde,FSKGFRBHGXIDSA-UHFFFAOYSA-N
HMDB41494,196.146329884,C12H20O2,CC(C)=CC(C=C)C(C)(C)OC(C)=O,"InChI=1S/C12H20O2/c1-7-11(8-9(2)3)12(5,6)14-10(4)13/h7-8,11H,1H2,2-6H3",NHUKUXHBUOLLAY,UHFFFAOYSA,N,(S)-Santolina acetate,NHUKUXHBUOLLAY-UHFFFAOYSA-N
HMDB41495,362.245709576,C22H34O4,CC(=O)OCC1(O)CC23CC1CCC2C1(C)CCCC(C)(C=O)C1CC3,"InChI=1S/C22H34O4/c1-15(24)26-14-22(25)12-21-10-7-17-19(2,13-23)8-4-9-20(17,3)18(21)6-5-16(22)11-21/h13,16-18,25H,4-12,14H2,1-3H3",FCHGRGOUMXZTFS,UHFFFAOYSA,N,ent-16a-Hydroxy-17-acetoxy-19-kauranal,FCHGRGOUMXZTFS-UHFFFAOYSA-N
HMDB41496,364.188588628,C20H28O6,CC12CC(O)CC(C)(C1C(C(O)=O)C13CC(=C)C(O)(C1)CCC23)C(O)=O,"InChI=1S/C20H28O6/c1-10-6-19-9-20(10,26)5-4-12(19)17(2)7-11(21)8-18(3,16(24)25)14(17)13(19)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)",DBFXNHHIIKEXPP,UHFFFAOYSA,N,Gibberellin A97,DBFXNHHIIKEXPP-UHFFFAOYSA-N
HMDB41497,194.13067982,C12H18O2,CC(C)=CC(C=C)C(=C)COC(C)=O,"InChI=1S/C12H18O2/c1-6-12(7-9(2)3)10(4)8-14-11(5)13/h6-7,12H,1,4,8H2,2-3,5H3",OMXMXPLKVRQEIQ,UHFFFAOYSA,N,(S)-Neolyratyl acetate,OMXMXPLKVRQEIQ-UHFFFAOYSA-N
HMDB41498,142.135765198,C9H18O,CCCCCC\C=C\CO,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7+",NSSALFVIQPAIQK,BQYQJAHWSA,N,2-Nonen-1-ol,NSSALFVIQPAIQK-BQYQJAHWSA-N
HMDB41499,142.135765198,C9H18O,CCCCCC\C=C/CO,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7-",NSSALFVIQPAIQK,FPLPWBNLSA,N,(Z)-2-Nonen-1-ol,NSSALFVIQPAIQK-FPLPWBNLSA-N
HMDB41500,166.084123558,C6H14O5,CC(O)C(O)C(O)C(O)CO,"InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3",SKCKOFZKJLZSFA,UHFFFAOYSA,N,1-Deoxy-D-glucitol,SKCKOFZKJLZSFA-UHFFFAOYSA-N
HMDB41501,212.250401024,C15H32,CCCCCCCCCCCCC(C)C,"InChI=1S/C15H32/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h15H,4-14H2,1-3H3",KUVMKLCGXIYSNH,UHFFFAOYSA,N,Isopentadecane,KUVMKLCGXIYSNH-UHFFFAOYSA-N
HMDB41502,140.029585568,C7H8OS,CC(=O)C1=C(C)C=CS1,"InChI=1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3",YBJDKNXEWQSGEL,UHFFFAOYSA,N,2-Acetyl-3-methylthiophene,YBJDKNXEWQSGEL-UHFFFAOYSA-N
HMDB41503,194.040150254,C10H10O2S,C(SCC1=CC=CO1)C1=CC=CO1,"InChI=1S/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H2",UYLKDZXJEKFFHJ,UHFFFAOYSA,N,Bis(2-furanylmethyl) sulfide,UYLKDZXJEKFFHJ-UHFFFAOYSA-N
HMDB41504,114.013935504,C5H6OS,OCC1=CSC=C1,"InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2",BOWIFWCBNWWZOG,UHFFFAOYSA,N,3-Thiophenemethanol,BOWIFWCBNWWZOG-UHFFFAOYSA-N
HMDB41505,194.094294314,C11H14O3,OC1COC(CC2=CC=CC=C2)OC1,"InChI=1S/C11H14O3/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2",SCBQUBIXYNMXER,UHFFFAOYSA,N,"5-Hydroxy-2-benzyl-1,3-dioxane",SCBQUBIXYNMXER-UHFFFAOYSA-N
HMDB41506,194.094294314,C11H14O3,OCC1COC(CC2=CC=CC=C2)O1,"InChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2",ZPENOSKWEKGDCX,UHFFFAOYSA,N,"2-Benzyl-5-hydroxymethyl-1,3-dioxolane",ZPENOSKWEKGDCX-UHFFFAOYSA-N
HMDB41507,304.094688244,C16H16O6,COC1=C(O)C=CC(=C1)[C@H]1OC2=C(C[C@@H]1O)C(O)=CC(O)=C2,"InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1",NJHJXXLBWQXMRO,XJKSGUPXSA,N,3'-O-Methylcatechin,NJHJXXLBWQXMRO-XJKSGUPXSA-N
HMDB41508,408.142032366,C20H24O9,CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC2=C(O1)C=C1OC(=O)C=CC1=C2,"InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3",HXCGUCZXPFBNRD,UHFFFAOYSA,N,Marmesin galactoside,HXCGUCZXPFBNRD-UHFFFAOYSA-N
HMDB41509,344.147117744,C16H24O8,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(CCCO)=C1,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3",QFYFLJZBZITPGX,UHFFFAOYSA,N,Dihydroconiferin,QFYFLJZBZITPGX-UHFFFAOYSA-N
HMDB41510,362.172938564,C20H26O6,CC12CC(O)CC3(COC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O,"InChI=1S/C20H26O6/c1-10-5-18-8-20(10,25)4-3-12(18)19-7-11(21)6-17(2,16(24)26-9-19)14(19)13(18)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)",MEKWLWHELUEYHS,UHFFFAOYSA,N,Gibberellin A98,MEKWLWHELUEYHS-UHFFFAOYSA-N
HMDB41511,916.612322146,C49H88O15,CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC,"InChI=1S/C49H88O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h11,13,17-18,37-39,42-50,53-58H,3-10,12,14-16,19-36H2,1-2H3/b13-11+,18-17+",QZXMUPATKGLZAP,XZBBILGWSA,N,"Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[alpha-D-galactopyranosyl-(1->6)-beta-D-galactopyranoside]",QZXMUPATKGLZAP-XZBBILGWSA-N
HMDB41512,412.194461866,C17H32O11,CC(C)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C17H32O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h7-24H,3-6H2,1-2H3",PPIXDGFHKZNFOD,UHFFFAOYSA,N,Isopentyl gentiobioside,PPIXDGFHKZNFOD-UHFFFAOYSA-N
HMDB41513,354.152597052,C14H26O10,CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,"InChI=1S/C14H26O10/c1-6(2)23-12-10(18)9(17)8(16)7(24-12)3-21-13-11(19)14(20,4-15)5-22-13/h6-13,15-20H,3-5H2,1-2H3",ADFAUEYXQCOXBX,UHFFFAOYSA,N,Isopropyl apiosylglucoside,ADFAUEYXQCOXBX-UHFFFAOYSA-N
HMDB41514,402.152597052,C18H26O10,OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O,"InChI=1S/C18H26O10/c19-6-10-12(20)15(23)17(27-10)26-8-11-13(21)14(22)16(24)18(28-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",VLAZYPZGDJXPDY,UHFFFAOYSA,N,Benzyl O-[arabinofuranosyl-(1->6)-glucoside],VLAZYPZGDJXPDY-UHFFFAOYSA-N
HMDB41515,432.163161738,C19H28O11,OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2",LLEMMFPELBNINR,UHFFFAOYSA,N,Benzyl gentiobioside,LLEMMFPELBNINR-UHFFFAOYSA-N
HMDB41516,299.079372531,C16H13NO5,OC(=O)C1=CC=C(O)C=C1NC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-9-12(19)6-7-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+",QSUPRDNLJSCNSD,FPYGCLRLSA,N,Avenanthramide G,QSUPRDNLJSCNSD-FPYGCLRLSA-N
HMDB41517,299.100501903,C13H17NO7,NC1=CC=CC=C1C(=O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C13H17NO7/c14-7-4-2-1-3-6(7)12(19)21-13-11(18)10(17)9(16)8(5-15)20-13/h1-4,8-11,13,15-18H,5,14H2",GTQKOJVFDJDUGN,UHFFFAOYSA,N,beta-D-Glucopyranosyl anthranilate,GTQKOJVFDJDUGN-UHFFFAOYSA-N
HMDB41518,306.13682783,C19H18N2O2,OC1=CC=C(\C=C\C(=O)NCCC2=CNC3=C2C=CC=C3)C=C1,"InChI=1S/C19H18N2O2/c22-16-8-5-14(6-9-16)7-10-19(23)20-12-11-15-13-21-18-4-2-1-3-17(15)18/h1-10,13,21-22H,11-12H2,(H,20,23)/b10-7+",CDMGLLBADMBULG,JXMROGBWSA,N,Nb-p-Coumaroyltryptamine,CDMGLLBADMBULG-JXMROGBWSA-N
HMDB41519,336.147392516,C20H20N2O3,COC1=CC(\C=C\C(=O)NCCC2=CNC3=C2C=CC=C3)=CC=C1O,"InChI=1S/C20H20N2O3/c1-25-19-12-14(6-8-18(19)23)7-9-20(24)21-11-10-15-13-22-17-5-3-2-4-16(15)17/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-7+",LWRQDNUXWLIWDB,VQHVLOKHSA,N,Nb-Feruloyltryptamine,LWRQDNUXWLIWDB-VQHVLOKHSA-N
HMDB41520,276.099773622,C15H16O5,COC1=CC2=C(C=CC(=O)O2)C(O)=C1CC(O)C(C)=C,"InChI=1S/C15H16O5/c1-8(2)11(16)6-10-12(19-3)7-13-9(15(10)18)4-5-14(17)20-13/h4-5,7,11,16,18H,1,6H2,2-3H3",LMUSYGSJXWROBU,UHFFFAOYSA,N,5-De-O-methyltoddanol,LMUSYGSJXWROBU-UHFFFAOYSA-N
HMDB41521,410.172938564,C24H26O6,COC1=C(O)C=C2OC3=C(C(O)=C4CCC(C)(C)OC4=C3)C(=O)C2=C1CC=C(C)C,"InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3",KJCDBAVVDILRMP,UHFFFAOYSA,N,3-Isomangostin,KJCDBAVVDILRMP-UHFFFAOYSA-N
HMDB41522,428.18350325,C24H28O7,COC1=C(O)C=C2OC3=C(C(O)=C4CCC(C)(C)OC4=C3)C(=O)C2=C1CCC(C)(C)O,"InChI=1S/C24H28O7/c1-23(2,28)8-6-13-18-16(10-14(25)22(13)29-5)30-17-11-15-12(7-9-24(3,4)31-15)20(26)19(17)21(18)27/h10-11,25-26,28H,6-9H2,1-5H3",REZOIULTUMSCRT,UHFFFAOYSA,N,3-Isomangostin hydrate,REZOIULTUMSCRT-UHFFFAOYSA-N
HMDB41523,596.465204402,C35H64O7,CCCCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCC(O)CC1=CC(C)OC1=O,"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(36)18-15-14-16-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3",NBVJDUCRUAUMAA,UHFFFAOYSA,N,cis-Goniothalamicin,NBVJDUCRUAUMAA-UHFFFAOYSA-N
HMDB41524,594.449554338,C35H62O7,CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(=O)CCCCCC(O)CC1=C(C)COC1=O,"InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-28(36)18-13-12-14-20-29(37)25-30-27(2)26-41-35(30)40/h29,31-34,37-39H,3-26H2,1-2H3",HGGYZUZQVNVDDD,UHFFFAOYSA,N,cis-Annonacin-10-one,HGGYZUZQVNVDDD-UHFFFAOYSA-N
HMDB41525,246.05282343,C13H10O5,COC1=C2C=COC2=CC2=C1C(=O)OC(CO)=C2,"InChI=1S/C13H10O5/c1-16-12-9-2-3-17-10(9)5-7-4-8(6-14)18-13(15)11(7)12/h2-5,14H,6H2,1H3",KFOFBVHBCDBMPK,UHFFFAOYSA,N,Coriandrone C,KFOFBVHBCDBMPK-UHFFFAOYSA-N
HMDB41526,203.094628665,C12H13NO2,COC1=C(OC)C=C2C(C)=NC=CC2=C1,"InChI=1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3",VBMZFACBWDZUSM,UHFFFAOYSA,N,Isosalsolidine,VBMZFACBWDZUSM-UHFFFAOYSA-N
HMDB41527,446.33960996,C28H46O4,CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C,"InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3",SVBMASFUJDIDJC,UHFFFAOYSA,N,3-Dehydroteasterone,SVBMASFUJDIDJC-UHFFFAOYSA-N
HMDB41528,904.503165628,C45H76O18,CC(CCC1(O)OC2CC3C4CC(OC5OC(C)C(O)C(OC6OC(C)C(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,"InChI=1S/C45H76O18/c1-18(17-57-40-36(53)35(52)33(50)29(16-46)61-40)7-12-45(56)19(2)30-28(63-45)15-25-23-14-27(26-13-22(47)8-10-43(26,5)24(23)9-11-44(25,30)6)60-42-38(55)39(32(49)21(4)59-42)62-41-37(54)34(51)31(48)20(3)58-41/h18-42,46-56H,7-17H2,1-6H3",YZMXYCYONPBBDJ,UHFFFAOYSA,N,Torvoside A,YZMXYCYONPBBDJ-UHFFFAOYSA-N
HMDB41529,904.503165628,C45H76O18,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C,"InChI=1S/C45H76O18/c1-19(17-57-40-37(54)35(52)34(51)30(16-46)61-40)7-12-45(56-6)20(2)31-29(63-45)15-25-23-14-28(26-13-22(47)8-10-43(26,4)24(23)9-11-44(25,31)5)60-42-38(55)39(32(49)21(3)59-42)62-41-36(53)33(50)27(48)18-58-41/h19-42,46-55H,7-18H2,1-6H3",QIFQLOORQYNSPD,UHFFFAOYSA,N,Torvoside B,QIFQLOORQYNSPD-UHFFFAOYSA-N
HMDB41530,770.44525682,C40H66O14,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(C)C(O)C(O)C5O)C5CC(=O)CCC5(C)C4CCC3(C)C2C1C,"InChI=1S/C40H66O14/c1-18(17-50-36-34(47)33(46)31(44)28(16-41)53-36)7-12-40(49-6)19(2)29-27(54-40)15-24-22-14-26(52-37-35(48)32(45)30(43)20(3)51-37)25-13-21(42)8-10-38(25,4)23(22)9-11-39(24,29)5/h18-20,22-37,41,43-48H,7-17H2,1-6H3",SPXXSSPWDGTYTM,UHFFFAOYSA,N,Torvoside E,SPXXSSPWDGTYTM-UHFFFAOYSA-N
HMDB41531,902.487515564,C45H74O18,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(=O)CCC5(C)C4CCC3(C)C2C1C,"InChI=1S/C45H74O18/c1-19(17-57-40-37(54)35(52)34(51)30(16-46)61-40)7-12-45(56-6)20(2)31-29(63-45)15-25-23-14-28(26-13-22(47)8-10-43(26,4)24(23)9-11-44(25,31)5)60-42-38(55)39(32(49)21(3)59-42)62-41-36(53)33(50)27(48)18-58-41/h19-21,23-42,46,48-55H,7-18H2,1-6H3",MQHCVIYZFLPTOJ,UHFFFAOYSA,N,Torvoside F,MQHCVIYZFLPTOJ-UHFFFAOYSA-N
HMDB41532,464.186874068,C24H32O7S,C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(OC(=O)\C=C\S(C)=O)C(C)C12C,"InChI=1S/C24H32O7S/c1-7-13(2)22(26)31-21-20-14(3)23(27)30-18(20)12-16-8-9-17(15(4)24(16,21)5)29-19(25)10-11-32(6)28/h7,10-11,15-18,21H,8-9,12H2,1-6H3/b11-10+,13-7+",VIUDBOBKMBZVGZ,DTICODAZSA,N,Eremosulphoxinolide A,VIUDBOBKMBZVGZ-DTICODAZSA-N
HMDB41533,458.375995466,C30H50O3,CC(C)=CC\C=C(/C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C,"InChI=1S/C30H50O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)25(20)21(31)16-23-28(6)14-13-24(33)27(4,5)26(28)22(32)17-30(23,29)8/h10-11,20-26,31-33H,9,12-17H2,1-8H3/b19-11+",JKPOYAJYRYOGBN,YBFXNURJSA,N,Quasiprotopanaxatriol,JKPOYAJYRYOGBN-YBFXNURJSA-N
HMDB41534,620.428818896,C36H60O8,CC(C)=CC\C=C(/C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10-11,21-32,37-42H,9,12-18H2,1-8H3/b20-11+",OZTXYFOXQFKYRP,RGVLZGJSSA,N,Ginsenoside Rh4,OZTXYFOXQFKYRP-RGVLZGJSSA-N
HMDB41535,510.152597052,C27H26O10,CC(=O)OC1C=C(COC(=O)C2=CC=CC=C2)C(OC(C)=O)C(OC(=O)C2=CC=CC=C2)C1OC(C)=O,"InChI=1S/C27H26O10/c1-16(28)34-22-14-21(15-33-26(31)19-10-6-4-7-11-19)23(35-17(2)29)25(24(22)36-18(3)30)37-27(32)20-12-8-5-9-13-20/h4-14,22-25H,15H2,1-3H3",UGMVPWAZGUPKPL,UHFFFAOYSA,N,Piperenol A triacetate,UGMVPWAZGUPKPL-UHFFFAOYSA-N
HMDB41536,448.136946988,C22H24O10,CC(=O)OC1C=C(COC(=O)C2=CC=CC=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C22H24O10/c1-12(23)29-18-10-17(11-28-22(27)16-8-6-5-7-9-16)19(30-13(2)24)21(32-15(4)26)20(18)31-14(3)25/h5-10,18-21H,11H2,1-4H3",DNKKICSBPVSNIP,UHFFFAOYSA,N,Piperenol C,DNKKICSBPVSNIP-UHFFFAOYSA-N
HMDB41537,305.105193351,C19H15NO3,CC(=O)N1CCC2=CC3=C(OCO3)C3=C2C1=CC1=CC=CC=C31,"InChI=1S/C19H15NO3/c1-11(21)20-7-6-13-9-16-19(23-10-22-16)18-14-5-3-2-4-12(14)8-15(20)17(13)18/h2-5,8-9H,6-7,10H2,1H3",FNUSCCFSHRMQQM,UHFFFAOYSA,N,N-Acetyldehydroanonaine,FNUSCCFSHRMQQM-UHFFFAOYSA-N
HMDB41538,323.115758037,C19H17NO4,COC(=O)N1CCC2=CC3=C(OCO3)C3=C2C1CC1=CC=CC=C31,"InChI=1S/C19H17NO4/c1-22-19(21)20-7-6-12-9-15-18(24-10-23-15)17-13-5-3-2-4-11(13)8-14(20)16(12)17/h2-5,9,14H,6-8,10H2,1H3",XBZPCDCYDZGHSV,UHFFFAOYSA,N,N-Methoxycarbonylanonaine,XBZPCDCYDZGHSV-UHFFFAOYSA-N
HMDB41539,327.183443671,C20H25NO3,CC(C)C(O)CCC1(C)OC2=C(C=C1)C(=O)N(C)C1=CC=CC=C21,"InChI=1S/C20H25NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13,17,22H,10,12H2,1-4H3",HWFNEQJAINFFPD,UHFFFAOYSA,N,Simulansine,HWFNEQJAINFFPD-UHFFFAOYSA-N
HMDB41540,201.136493479,C10H19NO3,CC(C)CC(=O)CCNC(C)C(O)=O,"InChI=1S/C10H19NO3/c1-7(2)6-9(12)4-5-11-8(3)10(13)14/h7-8,11H,4-6H2,1-3H3,(H,13,14)",VHHUMCJOXTZJOX,UHFFFAOYSA,N,N-(5-Methyl-3-oxohexyl)alanine,VHHUMCJOXTZJOX-UHFFFAOYSA-N
HMDB41541,336.164499142,C12H24N4O7,NC(=N)NCCCC(NCC1(O)OCC(O)C(O)C1O)C(O)=O,"InChI=1S/C12H24N4O7/c13-11(14)15-3-1-2-6(10(20)21)16-5-12(22)9(19)8(18)7(17)4-23-12/h6-9,16-19,22H,1-5H2,(H,20,21)(H4,13,14,15)",DLFIWFDONDYZKI,UHFFFAOYSA,N,N2-Fructopyranosylarginine,DLFIWFDONDYZKI-UHFFFAOYSA-N
HMDB41542,498.217322572,C18H34N4O12,NC(=N)NCCCC(NCC1(O)OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)=O,"InChI=1S/C18H34N4O12/c19-17(20)21-3-1-2-7(15(29)30)22-6-18(31)14(28)11(25)9(5-32-18)34-16-13(27)12(26)10(24)8(4-23)33-16/h7-14,16,22-28,31H,1-6H2,(H,29,30)(H4,19,20,21)",ZAZHPBXBNGWCDV,UHFFFAOYSA,N,N2-Maltulosylarginine,ZAZHPBXBNGWCDV-UHFFFAOYSA-N
HMDB41543,306.13682783,C19H18N2O2,COC1=C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=CC=C2)=N1,"InChI=1S/C19H18N2O2/c1-23-19-17(13-15-10-6-3-7-11-15)20-18(22)16(21-19)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,22)",HDGSSKSUEFFBRK,UHFFFAOYSA,N,"2,5-Dibenzyl-3-hydroxy-6-methoxypyrazine",HDGSSKSUEFFBRK-UHFFFAOYSA-N
HMDB41544,328.094688244,C18H16O6,COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(O1)C(OC)=C(O)C=C2,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)15-18(23-3)14(20)12-8-9-13(19)17(22-2)16(12)24-15/h4-9,19H,1-3H3",JMDFEVHVJUQIKK,UHFFFAOYSA,N,"7-Hydroxy-3,4',8-trimethoxyflavone",JMDFEVHVJUQIKK-UHFFFAOYSA-N
HMDB41545,186.125594442,C10H18O3,CC1(C)OC2(C)CCC1(O)CC2O,"InChI=1S/C10H18O3/c1-8(2)10(12)5-4-9(3,13-8)7(11)6-10/h7,11-12H,4-6H2,1-3H3",PEWQMISWINPIPZ,UHFFFAOYSA,N,"(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol",PEWQMISWINPIPZ-UHFFFAOYSA-N
HMDB41546,348.178417872,C16H28O8,CC1(C)OC2(C)CCC1(CC2O)OC1OC(CO)C(O)C(O)C1O,"InChI=1S/C16H28O8/c1-14(2)16(5-4-15(3,24-14)9(18)6-16)23-13-12(21)11(20)10(19)8(7-17)22-13/h8-13,17-21H,4-7H2,1-3H3",IQQCVQGVRVNZLT,UHFFFAOYSA,N,Foeniculoside VII,IQQCVQGVRVNZLT-UHFFFAOYSA-N
HMDB41547,546.355653954,C32H50O7,CC(C(CC1CC(C)C(=O)O1)OC(C)=O)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C11COC(=O)C1,"InChI=1S/C32H50O7/c1-18-14-21(39-28(18)36)15-23(38-20(3)33)19(2)22-8-9-25-30(6)12-11-26(34)29(4,5)24(30)10-13-31(25,7)32(22)16-27(35)37-17-32/h18-19,21-26,34H,8-17H2,1-7H3",MXWZRFQGLOGOMW,UHFFFAOYSA,N,Hovenidulcigenin B,MXWZRFQGLOGOMW-UHFFFAOYSA-N
HMDB41548,854.466386192,C44H70O16,CC(C(CC1CC(C)C(=O)O1)OC(C)=O)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1,"InChI=1S/C44H70O16/c1-20-15-24(57-38(20)53)16-26(56-23(4)46)21(2)25-9-10-29-42(7)13-12-30(41(5,6)28(42)11-14-43(29,8)44(25)17-31(47)54-19-44)59-40-37(35(51)33(49)27(18-45)58-40)60-39-36(52)34(50)32(48)22(3)55-39/h20-22,24-30,32-37,39-40,45,48-52H,9-19H2,1-8H3",CMTXBVHDOWHMEA,UHFFFAOYSA,N,Hovenidulcioside B1,CMTXBVHDOWHMEA-UHFFFAOYSA-N
HMDB41549,708.408477384,C38H60O12,CC(C(CC1CC(C)C(=O)O1)OC(C)=O)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1,"InChI=1S/C38H60O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h19-20,22-28,30-32,34,39,42-44H,8-18H2,1-7H3",ZWAMUWXPVAELPG,UHFFFAOYSA,N,Hovenidulcioside B2,ZWAMUWXPVAELPG-UHFFFAOYSA-N
HMDB41550,404.13186161,C17H24O11,COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C/C)C1CC(O)=O,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6,8,10,12-14,16-18,21-23H,4-5H2,1-2H3,(H,19,20)/b7-3-",XSCVKBFEPYGZSL,CLTKARDFSA,N,Oleoside 11-methyl ester,XSCVKBFEPYGZSL-CLTKARDFSA-N
HMDB41551,296.162373878,C16H24O5,COC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C12C,"InChI=1S/C16H24O5/c1-8-12-13(20-4)15(3)9(2)11(17)6-5-10(15)7-16(12,19)21-14(8)18/h9-11,13,17,19H,5-7H2,1-4H3",PVRCOBIICILOMH,UHFFFAOYSA,N,"3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide",PVRCOBIICILOMH-UHFFFAOYSA-N
HMDB41552,388.173332494,C18H28O9,COC1=C(OC(CO)COC2OCC(O)C(O)C2O)C=CC(CCCO)=C1,"InChI=1S/C18H28O9/c1-24-15-7-11(3-2-6-19)4-5-14(15)27-12(8-20)9-25-18-17(23)16(22)13(21)10-26-18/h4-5,7,12-13,16-23H,2-3,6,8-10H2,1H3",OWQQMQRFNZHYAU,UHFFFAOYSA,N,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside",OWQQMQRFNZHYAU-UHFFFAOYSA-N
HMDB41553,178.099379692,C11H14O2,COC1=C(OC)C=C(\C=C/C)C=C1,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4-",NNWHUJCUHAELCL,PLNGDYQASA,N,Methylisoeugenol,NNWHUJCUHAELCL-PLNGDYQASA-N
HMDB41554,210.161979948,C13H22O2,CCC(=O)OC(C=C(C)C)C(C)(C)C=C,"InChI=1S/C13H22O2/c1-7-12(14)15-11(9-10(3)4)13(5,6)8-2/h8-9,11H,2,7H2,1,3-6H3",OTRUQIDANLIZDL,UHFFFAOYSA,N,Artemisyl propionate,OTRUQIDANLIZDL-UHFFFAOYSA-N
HMDB41555,680.204632622,C42H32O9,OC1=CC=C(\C=C\C2=CC(O)=CC3=C2C(C(O3)C2=CC=C(O)C=C2)C2=C3C(C(OC3=CC(O)=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1,"InChI=1S/C42H32O9/c43-27-9-2-22(3-10-27)1-4-25-15-32(48)20-35-37(25)40(42(50-35)24-7-13-29(45)14-8-24)34-19-33(49)21-36-39(34)38(26-16-30(46)18-31(47)17-26)41(51-36)23-5-11-28(44)12-6-23/h1-21,38,40-49H/b4-1+",RKFYYCKIHVEWHX,DAFODLJHSA,N,cis-Miyabenol C,RKFYYCKIHVEWHX-DAFODLJHSA-N
HMDB41556,842.257456052,C48H42O14,OCC1OC(OC2=CC(=CC(O)=C2)C2C(OC3=CC(O)=CC(C4C(OC5=C4C(\C=C\C4=CC=C(O)C=C4)=CC(O)=C5)C4=CC=C(O)C=C4)=C23)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C48H42O14/c49-22-38-43(56)44(57)45(58)48(62-38)59-34-17-27(16-31(53)18-34)40-41-35(19-33(55)21-37(41)61-46(40)24-5-11-29(51)12-6-24)42-39-26(4-1-23-2-9-28(50)10-3-23)15-32(54)20-36(39)60-47(42)25-7-13-30(52)14-8-25/h1-21,38,40,42-58H,22H2/b4-1+",SZKVNSODIJRAET,DAFODLJHSA,N,Foeniculoside I,SZKVNSODIJRAET-DAFODLJHSA-N
HMDB41557,1004.310279482,C54H52O19,OCC1OC(OC2=CC3=C(C(C(O3)C3=CC=C(O)C=C3)C3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3)C(=C2)C2C(OC3=C2C(\C=C\C2=CC=C(O)C=C2)=CC(O)=C3)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1S/C54H52O19/c55-22-39-45(62)47(64)49(66)53(72-39)68-34-17-28(16-32(60)18-34)42-43-36(20-35(69-54-50(67)48(65)46(63)40(23-56)73-54)21-38(43)71-51(42)25-5-11-30(58)12-6-25)44-41-27(4-1-24-2-9-29(57)10-3-24)15-33(61)19-37(41)70-52(44)26-7-13-31(59)14-8-26/h1-21,39-40,42,44-67H,22-23H2/b4-1+",VAKPECSFQPSYGO,DAFODLJHSA,N,Foeniculoside III,VAKPECSFQPSYGO-DAFODLJHSA-N
HMDB41558,118.045235632,C5H10OS,CSC(C)C(C)=O,"InChI=1S/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3",HFVLNCDRAMUMCC,UHFFFAOYSA,N,3-(Methylthio)-2-butanone,HFVLNCDRAMUMCC-UHFFFAOYSA-N
HMDB41559,186.161979948,C11H22O2,CCCCCCC(=O)OCCCC,"InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3",YPQSPODHFDGVAC,UHFFFAOYSA,N,Butyl heptanoate,YPQSPODHFDGVAC-UHFFFAOYSA-N
HMDB41560,226.084123558,C11H14O5,COC1=CC(OC)=C(OC(C)=O)C(OC)=C1,"InChI=1S/C11H14O5/c1-7(12)16-11-9(14-3)5-8(13-2)6-10(11)15-4/h5-6H,1-4H3",LQLIWGLJAHTMMY,UHFFFAOYSA,N,"2,4,6-Trimethoxyphenyl acetate",LQLIWGLJAHTMMY-UHFFFAOYSA-N
HMDB41561,162.05282343,C6H10O5,OCC1OCC(=O)C(O)C1O,"InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2",OCLOLUFOLJIQDC,UHFFFAOYSA,N,"D-1,5-Anhydrofructose",OCLOLUFOLJIQDC-UHFFFAOYSA-N
HMDB41563,682.149215502,C27H44I2N2O2,[I-].[I-].CCCC(CC1=CC=C(OCC[N+](C)(C)C)C=C1)C1=CC=C(OCC[N+](C)(C)C)C=C1,"InChI=1S/C27H44N2O2.2HI/c1-8-9-25(24-12-16-27(17-13-24)31-21-19-29(5,6)7)22-23-10-14-26(15-11-23)30-20-18-28(2,3)4;;/h10-17,25H,8-9,18-22H2,1-7H3;2*1H/q+2;;/p-2",GUFOYWWEQUKYHB,UHFFFAOYSA,L,Cerdlan,GUFOYWWEQUKYHB-UHFFFAOYSA-L
HMDB41572,212.141244506,C12H20O3,CC(=O)OC(C)(C)C(C=C)C(O)C(C)=C,"InChI=1S/C12H20O3/c1-7-10(11(14)8(2)3)12(5,6)15-9(4)13/h7,10-11,14H,1-2H2,3-6H3",NONPMXXPXAQDJV,UHFFFAOYSA,N,"3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate",NONPMXXPXAQDJV-UHFFFAOYSA-N
HMDB41573,210.125594442,C12H18O3,CC(=O)OC(C)(C)C(C=C)C(=O)C(C)=C,"InChI=1S/C12H18O3/c1-7-10(11(14)8(2)3)12(5,6)15-9(4)13/h7,10H,1-2H2,3-6H3",VPMVJFOMTNSSGR,UHFFFAOYSA,N,"3-Ethenyl-2,5-dimethyl-4-oxohex-5-en-2-yl acetate",VPMVJFOMTNSSGR-UHFFFAOYSA-N
HMDB41581,600.41786028,C40H56O4,C\C(\C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(43-40)27-39(40,10)42)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)25-38(35,9)44-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+",YMNKXGQZDVGTFM,OMSIYMKDSA,N,Cucurbitachrome 1,YMNKXGQZDVGTFM-OMSIYMKDSA-N
HMDB41582,266.115423686,C14H18O5,CC12C3CCC1(O)C1C(C=C)C(OC1=O)C2(O)OC3,"InChI=1S/C14H18O5/c1-3-8-9-11(15)19-10(8)14(17)12(2)7(6-18-14)4-5-13(9,12)16/h3,7-10,16-17H,1,4-6H2,2H3",OZRZMHKATMSFPV,UHFFFAOYSA,N,Sapidolide A,OZRZMHKATMSFPV-UHFFFAOYSA-N
HMDB41583,414.31339521,C27H42O3,CC(CO)CCCC(=C)C1CCC2(O)C3=CCC4CC(O)CCC44CC34CCC12C,"InChI=1S/C27H42O3/c1-18(16-28)5-4-6-19(2)22-10-12-27(30)23-8-7-20-15-21(29)9-11-25(20)17-26(23,25)14-13-24(22,27)3/h8,18,20-22,28-30H,2,4-7,9-17H2,1,3H3",LHQZNTIWWWUEJH,UHFFFAOYSA,N,Setariol,LHQZNTIWWWUEJH-UHFFFAOYSA-N
HMDB41585,330.219494826,C21H30O3,CC\C(C)=C\C(=O)OC1CC(C(C)C)C2C(CC(=O)\C2=C/C)C1=C,"InChI=1S/C21H30O3/c1-7-13(5)9-20(23)24-19-11-16(12(3)4)21-15(8-2)18(22)10-17(21)14(19)6/h8-9,12,16-17,19,21H,6-7,10-11H2,1-5H3/b13-9+,15-8+",ORVROQPLYIDWBD,QXJXSTHZSA,N,Tussilagonone,ORVROQPLYIDWBD-QXJXSTHZSA-N
HMDB41586,472.282489012,C28H40O6,CC(C)CC(C1CCC(=C)C2CC(CCC12C)C(C)(C)O)C1=C(O)C(C=O)=C(O)C(C=O)=C1O,"InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3",OOAOETHJYYAVCC,UHFFFAOYSA,N,Macrocarpal H,OOAOETHJYYAVCC-UHFFFAOYSA-N
HMDB41587,490.293053698,C28H42O7,CC(C)CC(C1CCC(C)(O)C2CC(CCC12C)C(C)(C)O)C1=C(O)C(C=O)=C(O)C(C=O)=C1O,"InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3",PXQFFMATXFLUPK,UHFFFAOYSA,N,Macrocarpal I,PXQFFMATXFLUPK-UHFFFAOYSA-N
HMDB41590,584.422945663,C40H56O3,C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,"InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40-/m0/s1",DYUUPIKEWLHQGQ,FJOIUHRLSA,N,"Lutein 5,6-epoxide",DYUUPIKEWLHQGQ-FJOIUHRLSA-N
HMDB41592,164.047344122,C9H8O3,OC(=O)\C=C/C1=CC=CC=C1O,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5-",PMOWTIHVNWZYFI,WAYWQWQTSA,N,Coumaric acid,PMOWTIHVNWZYFI-WAYWQWQTSA-N
HMDB41593,332.074346715,C13H16O10,[H][C@]1(CO)O[C@@]([H])(OC2=C(O)C=C(C=C2O)C(O)=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1",YPSNWSNUXIIKHO,YANYRWCTSA,N,4-Glucogallic acid,YPSNWSNUXIIKHO-YANYRWCTSA-N
HMDB41594,627.156124566,C27H31O17,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",WIIMVXRNTVGXEQ,LCENJUANSA,O,Delphinidin 3-glucosylglucoside,WIIMVXRNTVGXEQ-LCENJUANSA-O
HMDB41596,399.071607078,C20H15O9,COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O)C(O)=O)=CC(O)=C2,"InChI=1S/C20H14O9/c1-26-13-3-8(4-14(27-2)18(13)23)19-17(22)10-7-15(20(24)25)28-11-5-9(21)6-12(29-19)16(10)11/h3-7H,1-2H3,(H3-,21,22,23,24,25)/p+1",CQLVAJSRKLMGSC,UHFFFAOYSA,O,Vitisidin A,CQLVAJSRKLMGSC-UHFFFAOYSA-O
HMDB41598,458.084911418,C22H18O11,OC1=CC(O)=C2C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1",WMBWREPUVVBILR,GHTZIAJQSA,N,3-Galloylgallocatechin,WMBWREPUVVBILR-GHTZIAJQSA-N
HMDB41604,106.008850126,C3H6O2S,OC(=O)CCS,"InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)",DKIDEFUBRARXTE,UHFFFAOYSA,N,3-Mercaptopropanoic acid,DKIDEFUBRARXTE-UHFFFAOYSA-N
HMDB41620,432.091259124,C18H24O8S2,[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OS(O)(=O)=O)C=C3CC[C@@]21[H],"InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1",VPLAJGAMHNQZIY,ZBRFXRBCSA,N,"17-Beta-Estradiol-3,17-beta-sulfate",VPLAJGAMHNQZIY-ZBRFXRBCSA-N
HMDB41621,632.227612486,C23H40N2O18,CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](N)C=O)[C@H](O)[C@@H](O)[C@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O,"InChI=1S/C23H40N2O18/c1-7(29)25-13-9(30)2-23(22(38)39,43-20(13)15(34)10(31)4-27)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-28)14(33)8(24)3-26/h3,8-21,27-28,30-37H,2,4-6,24H2,1H3,(H,25,29)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1",KNCBIECJUBQYDY,GIGDJUIZSA,N,6'-Sialyllactosamine,KNCBIECJUBQYDY-GIGDJUIZSA-N
HMDB41622,545.195584077,C20H35NO16,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O,"InChI=1S/C20H35NO16/c1-5(25)21-9-12(28)10(26)6(2-22)34-19(9)37-17-11(27)7(3-23)35-20(15(17)31)36-16-8(4-24)33-18(32)14(30)13(16)29/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15-,16-,17+,18-,19-,20+/m1/s1",CRTJRHPGCOAOQC,LXLNFFGNSA,N,N-Acetylgalactosaminyl lactose,CRTJRHPGCOAOQC-LXLNFFGNSA-N
HMDB41623,412.134261646,C15H20N6O8,C[C@@H](O)[C@H](NC(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C15H20N6O8/c1-5(23)7(14(26)27)19-15(28)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)29-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,26,27)(H2,16,17,19,20,28)/t5-,6-,7+,9-,10-,13-/m1/s1",UNUYMBPXEFMLNW,DWVDDHQFSA,N,N6-Carbamoyl-L-threonyladenosine,UNUYMBPXEFMLNW-DWVDDHQFSA-N
HMDB41624,193.025242271,C4H8N3O4P,CN1CC(=O)NC1=NP(O)(O)=O,"InChI=1S/C4H8N3O4P/c1-7-2-3(8)5-4(7)6-12(9,10)11/h2H2,1H3,(H3,5,6,8,9,10,11)",HIPLEPXPNLWKCQ,UHFFFAOYSA,N,Phosphocreatinine,HIPLEPXPNLWKCQ-UHFFFAOYSA-N
HMDB41627,342.116211546,C12H22O11,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1",GUBGYTABKSRVRQ,DCSYEGIMSA,N,beta-Lactose,GUBGYTABKSRVRQ-DCSYEGIMSA-N
HMDB41628,156.151415262,C10H20O,CC(C)[C@H]1CC[C@@H](C)C[C@H]1O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1",NOOLISFMXDJSKH,OPRDCNLKSA,N,(+)-Neoisomenthol,NOOLISFMXDJSKH-OPRDCNLKSA-N
HMDB41629,194.167065326,C13H22O,C\C(CCC=C)=C/CC[C@](C)(O)C=C,"InChI=1S/C13H22O/c1-5-7-9-12(3)10-8-11-13(4,14)6-2/h5-6,10,14H,1-2,7-9,11H2,3-4H3/b12-10+/t13-/m1/s1",JIFKIUVSUFVKTE,RSKUSDAESA,N,"(3S,6E)-Nerolidol",JIFKIUVSUFVKTE-RSKUSDAESA-N
HMDB41630,170.13067982,C10H18O2,CC1(C)O[C@](C)(CC[C@H]1O)C=C,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m1/s1",BCTBAGTXFYWYMW,SCZZXKLOSA,N,"(+)-cis-Linalool 3,7-oxide",BCTBAGTXFYWYMW-SCZZXKLOSA-N
HMDB41631,152.120115135,C10H16O,CC(C)C12CC1C(C)C(=O)C2,"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3",USMNOWBWPHYOEA,UHFFFAOYSA,N,3-Thujanone,USMNOWBWPHYOEA-UHFFFAOYSA-N
HMDB41632,372.375601536,C27H48,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1",XIIAYQZJNBULGD,XWLABEFZSA,N,5alpha-Cholestane,XIIAYQZJNBULGD-XWLABEFZSA-N
HMDB41633,136.125200512,C10H16,[H][C@]1(CCC(=C)C=C1)C(C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m0/s1",LFJQCDVYDGGFCH,JTQLQIEISA,N,(-)-beta-Phellandrene,LFJQCDVYDGGFCH-JTQLQIEISA-N
HMDB41634,136.125200512,C10H16,[H][C@]1(CCC(=C)C=C1)C(C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m0/s1",LFJQCDVYDGGFCH,JTQLQIEISA,N,(+)-beta-Phellandrene,LFJQCDVYDGGFCH-JTQLQIEISA-N
HMDB41635,450.07982604,C20H18O12,O[C@H]1CO[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O,"InChI=1S/C20H18O12/c21-7-3-8(22)13-12(4-7)31-18(6-1-9(23)14(26)10(24)2-6)19(16(13)28)32-20-17(29)15(27)11(25)5-30-20/h1-4,11,15,17,20-27,29H,5H2/t11-,15-,17+,20-/m0/s1",SBEOEJNITMVWLK,KJCLSZHRSA,N,Myricetin 3-arabinoside,SBEOEJNITMVWLK-KJCLSZHRSA-N
HMDB41636,208.146329884,C13H20O2,C\C=C\C(=O)C1=C(C)CC(O)CC1(C)C,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5+",UPRXEFYRIACHQZ,AATRIKPKSA,N,"(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one",UPRXEFYRIACHQZ-AATRIKPKSA-N
HMDB41638,482.10604079,C21H22O13,O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C1)C=C(O)C=C2O,"InChI=1S/C21H22O13/c22-7-3-9(23)8-5-11(25)18(32-12(8)4-7)6-1-10(24)14(26)13(2-6)33-21-17(29)15(27)16(28)19(34-21)20(30)31/h1-4,11,15-19,21-29H,5H2,(H,30,31)/t11-,15+,16+,17-,18-,19+,21-/m1/s1",CQDATFYRGVZXLF,ZVHNUXTDSA,N,(-)-Epigallocatechin 3'-glucuronide,CQDATFYRGVZXLF-ZVHNUXTDSA-N
HMDB41639,482.10604079,C21H22O13,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CC3=C(O[C@@H]2C2=CC(O)=C(O)C(O)=C2)C=C(O)C=C3O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H22O13/c22-7-3-9(23)8-5-13(33-21-17(29)15(27)16(28)19(34-21)20(30)31)18(32-12(8)4-7)6-1-10(24)14(26)11(25)2-6/h1-4,13,15-19,21-29H,5H2,(H,30,31)/t13-,15+,16+,17-,18-,19+,21-/m1/s1",ZTOAOZDTXSRHIB,BBGDWMAASA,N,(-)-Epigallocatechin 3-glucuronide,ZTOAOZDTXSRHIB-BBGDWMAASA-N
HMDB41640,482.10604079,C21H22O13,O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2O,"InChI=1S/C21H22O13/c22-9-3-7(32-21-17(29)15(27)16(28)19(34-21)20(30)31)4-13-8(9)5-12(25)18(33-13)6-1-10(23)14(26)11(24)2-6/h1-4,12,15-19,21-29H,5H2,(H,30,31)/t12-,15+,16+,17-,18-,19+,21-/m1/s1",DMDNCGKEYCRXOR,CVPXIJHMSA,N,(-)-Epigallocatechin 7-glucuronide,DMDNCGKEYCRXOR-CVPXIJHMSA-N
HMDB41641,544.15807636,C27H28O12,COC1=CC(\C=C\C(=O)O[C@@]2(C[C@@H](O)[C@H](O)[C@@H](C2)OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)C(O)=O)=CC=C1O,"InChI=1S/C27H28O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(31)38-22-14-27(26(34)35,13-19(30)25(22)33)39-24(32)10-6-16-4-8-18(29)21(12-16)37-2/h3-12,19,22,25,28-30,33H,13-14H2,1-2H3,(H,34,35)/b9-5+,10-6+/t19-,22-,25+,27-/m1/s1",YSOVEZGZSWEECD,HPMQQOSDSA,N,"1,5-Diferuloylquinic acid",YSOVEZGZSWEECD-HPMQQOSDSA-N
HMDB41642,530.142426296,C26H26O12,COC1=C(O)C=CC(\C=C\C(=O)O[C@@H]2C[C@@](C[C@@H](O)[C@@H]2O)(OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C(O)=O)=C1,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)4-8-22(31)37-21-13-26(25(34)35,12-19(30)24(21)33)38-23(32)9-5-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)/b8-4+,9-5+/t19-,21-,24+,26-/m1/s1",DJXURFUTIYZESV,BQYLRUKMSA,N,1-Caffeoyl-5-feruloylquinic acid,DJXURFUTIYZESV-BQYLRUKMSA-N
HMDB41643,530.142426296,C26H26O12,COC1=CC(\C=C\C(=O)O[C@@]2(C[C@@H](O)[C@H](O)[C@@H](C2)OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)=O)=CC=C1O,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-26(25(34)35)12-19(30)24(33)21(13-26)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)/b8-4+,9-5+/t19-,21-,24+,26-/m1/s1",WBACKTNTXNGGBO,BQYLRUKMSA,N,1-Feruloyl-5-caffeoylquinic acid,WBACKTNTXNGGBO-BQYLRUKMSA-N
HMDB41644,314.07903818,C17H14O6,COC1=CC(O)=C(C=C1OC)C1=COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C17H14O6/c1-21-15-6-11(13(19)7-16(15)22-2)12-8-23-14-5-9(18)3-4-10(14)17(12)20/h3-8,18-19H,1-2H3",UYOJEKMKWXYOEQ,UHFFFAOYSA,N,"2',7-Dihydroxy-4',5'-dimethoxyisoflavone",UYOJEKMKWXYOEQ-UHFFFAOYSA-N
HMDB41645,314.115423686,C18H18O5,OC1=CC=CC(C[C@@H]2[C@@H](CC3=C(O)C(O)=CC=C3)COC2=O)=C1,"InChI=1S/C18H18O5/c19-14-5-1-3-11(7-14)8-15-13(10-23-18(15)22)9-12-4-2-6-16(20)17(12)21/h1-7,13,15,19-21H,8-10H2/t13-,15+/m0/s1",NHWWOCIDXQDDJV,DZGCQCFKSA,N,2'-Hydroxyenterolactone,NHWWOCIDXQDDJV-DZGCQCFKSA-N
HMDB41646,232.004158678,C8H8O6S,CC(=O)C1=C(OS(O)(=O)=O)C=C(O)C=C1,"InChI=1S/C8H8O6S/c1-5(9)7-3-2-6(10)4-8(7)14-15(11,12)13/h2-4,10H,1H3,(H,11,12,13)",COXWPCPYWFBNJH,UHFFFAOYSA,N,"2,4-Dihydroxyacetophenone 5-sulfate",COXWPCPYWFBNJH-UHFFFAOYSA-N
HMDB41647,256.073558872,C15H12O4,OC1=CC=C(C=C1)C(=C)C(=O)C1=C(O)C=C(O)C=C1,"InChI=1S/C15H12O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-8,16-18H,1H2",MPNKZWIUITZJCR,UHFFFAOYSA,N,2-Dehydro-O-desmethylangolensin,MPNKZWIUITZJCR-UHFFFAOYSA-N
HMDB41648,262.014723364,C9H10O7S,COC1=CC(O)=C(C=C1OS(O)(=O)=O)C(C)=O,"InChI=1S/C9H10O7S/c1-5(10)6-3-9(16-17(12,13)14)8(15-2)4-7(6)11/h3-4,11H,1-2H3,(H,12,13,14)",IFFSTUJRUZMSDG,UHFFFAOYSA,N,2-Hydroxy-4-methoxyacetophenone 5-sulfate,IFFSTUJRUZMSDG-UHFFFAOYSA-N
HMDB41649,318.146723814,C18H22O5,OCC(CC1=CC=CC(O)=C1)C(CO)CC1=C(O)C(O)=CC=C1,"InChI=1S/C18H22O5/c19-10-14(7-12-3-1-5-16(21)8-12)15(11-20)9-13-4-2-6-17(22)18(13)23/h1-6,8,14-15,19-23H,7,9-11H2",JJVHJPXSEFIVJU,UHFFFAOYSA,N,2-Hydroxyenterodiol,JJVHJPXSEFIVJU-UHFFFAOYSA-N
HMDB41650,314.115423686,C18H18O5,OC1=CC=CC(C[C@H]2COC(=O)[C@@H]2CC2=C(O)C(O)=CC=C2)=C1,"InChI=1S/C18H18O5/c19-14-5-1-3-11(8-14)7-13-10-23-18(22)15(13)9-12-4-2-6-16(20)17(12)21/h1-6,8,13,15,19-21H,7,9-10H2/t13-,15+/m0/s1",XZCLFXNAFVVPJG,DZGCQCFKSA,N,2-Hydroxyenterolactone,XZCLFXNAFVVPJG-DZGCQCFKSA-N
HMDB41651,288.063388116,C15H12O6,OC1=CC(O)=C2C(=O)C(COC2=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C15H12O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-5,9,16-19H,6H2",DYLLIDCIKLUGBZ,UHFFFAOYSA,N,"3',4',5,7-Tetrahydroxyisoflavanone",DYLLIDCIKLUGBZ-UHFFFAOYSA-N
HMDB41652,258.089208936,C15H14O4,OC1=CC=C2CC(COC2=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C15H14O4/c16-12-3-1-10-5-11(8-19-15(10)7-12)9-2-4-13(17)14(18)6-9/h1-4,6-7,11,16-18H,5,8H2",BXUZHRKORIBRMQ,UHFFFAOYSA,N,"3',4',7-Trihydroxyisoflavan",BXUZHRKORIBRMQ-UHFFFAOYSA-N
HMDB41653,302.115423686,C17H18O5,COC1=CC=C(\C=C\C2=CC(O)=C(OC)C(CO)=C2)C=C1O,"InChI=1S/C17H18O5/c1-21-16-6-5-11(8-14(16)19)3-4-12-7-13(10-18)17(22-2)15(20)9-12/h3-9,18-20H,10H2,1-2H3/b4-3+",DLSNLGWOPCTNJJ,ONEGZZNKSA,N,"3'-Hydroxy-3,4,5,4'-tetramethoxystilbene",DLSNLGWOPCTNJJ-ONEGZZNKSA-N
HMDB41654,274.084123558,C15H14O5,CC(C(=O)C1=C(O)C(O)=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H14O5/c1-8(9-2-4-10(16)5-3-9)13(18)11-6-7-12(17)15(20)14(11)19/h2-8,16-17,19-20H,1H3",XTSWJTBIEXVATN,UHFFFAOYSA,N,3'-Hydroxy-O-desmethylangolensin,XTSWJTBIEXVATN-UHFFFAOYSA-N
HMDB41655,270.05282343,C15H10O5,OC1=CC=C2C(OC=C(C2=O)C2=CC=C(O)C(O)=C2)=C1,"InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H",DDKGKOOLFLYZDL,UHFFFAOYSA,N,3'-Hydroxydaidzein,DDKGKOOLFLYZDL-UHFFFAOYSA-N
HMDB41656,272.068473494,C15H12O5,OC1=CC=C2C(=O)C(COC2=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C15H12O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-6,11,16-18H,7H2",NIUUFTCRUDJDHY,UHFFFAOYSA,N,3'-Hydroxydihydrodaidzein,NIUUFTCRUDJDHY-UHFFFAOYSA-N
HMDB41657,258.089208936,C15H14O4,OC1=CC=C2C[C@H](COC2=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C15H14O4/c16-12-3-1-10-5-11(8-19-15(10)7-12)9-2-4-13(17)14(18)6-9/h1-4,6-7,11,16-18H,5,8H2/t11-/m1/s1",BXUZHRKORIBRMQ,LLVKDONJSA,N,3'-Hydroxyequol,BXUZHRKORIBRMQ-LLVKDONJSA-N
HMDB41658,286.047738052,C15H10O6,OC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C(O)=C1,"InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H",IOYHCQBYQJQBSK,UHFFFAOYSA,N,3'-Hydroxygenistein,IOYHCQBYQJQBSK-UHFFFAOYSA-N
HMDB41659,480.126776232,C22H24O12,COC1=C(O)C=CC(=C1)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=C2,"InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)23)19-13(25)7-10-12(24)5-9(6-14(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16+,17+,18-,19-,20+,22-/m1/s1",MZJSKSYVZZIYPF,ZRRVXMDUSA,N,3'-O-Methyl-(-)-epicatechin 7-O-glucuronide,MZJSKSYVZZIYPF-ZRRVXMDUSA-N
HMDB41660,272.104859,C16H16O4,COC1=CC(=CC=C1O)[C@H]1COC2=CC(O)=CC=C2C1,"InChI=1S/C16H16O4/c1-19-16-7-10(3-5-14(16)18)12-6-11-2-4-13(17)8-15(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3/t12-/m1/s1",BMADVHDZKAZTNF,GFCCVEGCSA,N,3'-O-Methylequol,BMADVHDZKAZTNF-GFCCVEGCSA-N
HMDB41661,212.068473494,C10H12O5,COC(=O)C(O)CC1=CC=C(O)C(O)=C1,"InChI=1S/C10H12O5/c1-15-10(14)9(13)5-6-2-3-7(11)8(12)4-6/h2-4,9,11-13H,5H2,1H3",NMAOZVAEJYOPOF,UHFFFAOYSA,N,"3,4-Dihydroxyphenyllactic acid methyl ester",NMAOZVAEJYOPOF-UHFFFAOYSA-N
HMDB41662,198.05282343,C9H10O5,COC1=CC(=CC(O)=C1OC)C(O)=O,"InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)",WFIBQVFJXGQICQ,UHFFFAOYSA,N,"3,4-O-Dimethylgallic acid",WFIBQVFJXGQICQ-UHFFFAOYSA-N
HMDB41663,212.068473494,C10H12O5,COC(CC1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C10H12O5/c1-15-9(10(13)14)5-6-2-3-7(11)8(12)4-6/h2-4,9,11-12H,5H2,1H3,(H,13,14)",YNFNAIPTIVRKBR,UHFFFAOYSA,N,"3-(3,4-Dihydroxyphenyl)-2-methoxypropionic acid",YNFNAIPTIVRKBR-UHFFFAOYSA-N
HMDB41665,212.068473494,C10H12O5,COC1=CC=C(CC(O)C(O)=O)C=C1O,"InChI=1S/C10H12O5/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-4,8,11-12H,5H2,1H3,(H,13,14)",UIQJPTIJLALAGB,UHFFFAOYSA,N,3-Hydroxy-4-methoxyphenyllactic acid,UIQJPTIJLALAGB-UHFFFAOYSA-N
HMDB41666,194.094294314,C11H14O3,OC(=O)CCCCC1=CC=CC(O)=C1,"InChI=1S/C11H14O3/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h3,5-6,8,12H,1-2,4,7H2,(H,13,14)",CMLIEOOXQFWANJ,UHFFFAOYSA,N,3-Hydroxyphenyl-valeric acid,CMLIEOOXQFWANJ-UHFFFAOYSA-N
HMDB41667,374.100167552,C19H18O8,COC1=C(O)C=CC(CC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)=O)=C1,"InChI=1S/C19H18O8/c1-26-16-9-12(3-6-14(16)21)10-17(19(24)25)27-18(23)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-22H,10H2,1H3,(H,24,25)/b7-4+",NFSDQICEPLDULQ,QPJJXVBHSA,N,3-O-Methylrosmarinic acid,NFSDQICEPLDULQ-QPJJXVBHSA-N
HMDB41668,486.116211546,C24H22O11,COC1=C(O)C=C(C=C1O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1OC(=O)C1=CC(O)=C(OC)C(O)=C1,"InChI=1S/C24H22O11/c1-32-22-15(27)3-10(4-16(22)28)21-20(9-13-14(26)7-12(25)8-19(13)34-21)35-24(31)11-5-17(29)23(33-2)18(30)6-11/h3-8,20-21,25-30H,9H2,1-2H3/t20-,21-/m1/s1",HFWSXNDMKGHKRD,NHCUHLMSSA,N,4'-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate),HFWSXNDMKGHKRD-NHCUHLMSSA-N
HMDB41669,272.104859,C16H16O4,COC1=C(O)C=CC(=C1)C1COC2=CC(O)=CC=C2C1,"InChI=1S/C16H16O4/c1-19-16-7-10(3-5-14(16)18)12-6-11-2-4-13(17)8-15(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3",BMADVHDZKAZTNF,UHFFFAOYSA,N,"4',7-Dihydroxy-3'-methoxyisoflavan",BMADVHDZKAZTNF-UHFFFAOYSA-N
HMDB41670,272.104859,C16H16O4,COC1=C(O)C=C2OCC(CC2=C1)C1=CC=C(O)C=C1,"InChI=1S/C16H16O4/c1-19-16-7-11-6-12(9-20-15(11)8-14(16)18)10-2-4-13(17)5-3-10/h2-5,7-8,12,17-18H,6,9H2,1H3",UIGOOLXQMJUBBW,UHFFFAOYSA,N,"4',7-Dihydroxy-6-methoxyisoflavan",UIGOOLXQMJUBBW-UHFFFAOYSA-N
HMDB41671,286.120509064,C17H18O4,COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(OC)=C1OC,"InChI=1S/C17H18O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11,18H,1-3H3/b5-4+",PGNACKMMQGBVTN,SNAWJCMRSA,N,"4'-Hydroxy-3,4,5-trimethoxystilbene",PGNACKMMQGBVTN-SNAWJCMRSA-N
HMDB41672,314.115423686,C18H18O5,OC1=CC=CC(C[C@@H]2[C@@H](CC3=CC(O)=C(O)C=C3)COC2=O)=C1,"InChI=1S/C18H18O5/c19-14-3-1-2-11(7-14)8-15-13(10-23-18(15)22)6-12-4-5-16(20)17(21)9-12/h1-5,7,9,13,15,19-21H,6,8,10H2/t13-,15+/m0/s1",MJMVFOFWTGVQBW,DZGCQCFKSA,N,4'-Hydroxyenterolactone,MJMVFOFWTGVQBW-DZGCQCFKSA-N
HMDB41673,302.07903818,C16H14O6,COC1=CC(O)=C(C=C1)C1(O)COC2=CC(O)=CC=C2C1=O,"InChI=1S/C16H14O6/c1-21-10-3-5-12(13(18)7-10)16(20)8-22-14-6-9(17)2-4-11(14)15(16)19/h2-7,17-18,20H,8H2,1H3",KZBMBIHZXUQFOR,UHFFFAOYSA,N,"4'-Methoxy-2',3,7-trihydroxyisoflavanone",KZBMBIHZXUQFOR-UHFFFAOYSA-N
HMDB41674,480.126776232,C22H24O12,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(C=C1)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2,"InChI=1S/C22H24O12/c1-31-13-3-2-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)4-15(13)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1",PSOMCIRLFFROES,FDRKUGEKSA,N,4'-O-Methyl-(-)-epicatechin 3'-O-glucuronide,PSOMCIRLFFROES-FDRKUGEKSA-N
HMDB41675,496.121690854,C22H24O13,COC1=C(O)C=C(C=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2,"InChI=1S/C22H24O13/c1-32-19-11(25)2-7(18-12(26)6-9-10(24)4-8(23)5-13(9)33-18)3-14(19)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-5,12,15-18,20,22-29H,6H2,1H3,(H,30,31)/t12-,15+,16+,17-,18-,20+,22-/m1/s1",DAQFRQALPPBZDR,QVHNSLLPSA,N,4'-Methyl-(-)-epigallocatechin 3'-glucuronide,DAQFRQALPPBZDR-QVHNSLLPSA-N
HMDB41676,496.121690854,C22H24O13,COC1=C(O)C=C(C=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=C2,"InChI=1S/C22H24O13/c1-32-19-11(24)2-7(3-12(19)25)18-13(26)6-9-10(23)4-8(5-14(9)34-18)33-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-5,13,15-18,20,22-29H,6H2,1H3,(H,30,31)/t13-,15+,16+,17-,18-,20+,22-/m1/s1",DIBOSYWBDWWWDM,HAQXZMAGSA,N,4'-Methyl-(-)-epigallocatechin 7-glucuronide,DIBOSYWBDWWWDM-HAQXZMAGSA-N
HMDB41677,625.176860008,C28H33O16,COC1=C(O)C=C(C=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C28H32O16/c1-9-19(33)21(35)23(37)27(41-9)40-8-18-20(34)22(36)24(38)28(44-18)43-17-7-12-13(30)5-11(29)6-16(12)42-25(17)10-3-14(31)26(39-2)15(32)4-10/h3-7,9,18-24,27-28,33-38H,8H2,1-2H3,(H3-,29,30,31,32)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,27+,28+/m0/s1",SFXLOSJBJDDYOX,DKNVIHETSA,O,4'-O-Methyldelphinidin 3-O-rutinoside,SFXLOSJBJDDYOX-DKNVIHETSA-O
HMDB41678,256.109944378,C16H16O3,COC1=CC=C(C=C1)[C@H]1COC2=CC(O)=CC=C2C1,"InChI=1S/C16H16O3/c1-18-15-6-3-11(4-7-15)13-8-12-2-5-14(17)9-16(12)19-10-13/h2-7,9,13,17H,8,10H2,1H3/t13-/m1/s1",FPRFNXQLWQOWED,CYBMUJFWSA,N,4'-O-Methylequol,FPRFNXQLWQOWED-CYBMUJFWSA-N
HMDB41679,226.084123558,C11H14O5,OC(CCC(O)=O)CC1=CC=C(O)C(O)=C1,"InChI=1S/C11H14O5/c12-8(2-4-11(15)16)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,15,16)",JDBYFCLHVYVXCX,UHFFFAOYSA,N,"4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid",JDBYFCLHVYVXCX-UHFFFAOYSA-N
HMDB41680,286.120509064,C17H18O4,COC1=CC=C(\C=C\C2=CC(OC)=C(O)C(OC)=C2)C=C1,"InChI=1S/C17H18O4/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h4-11,18H,1-3H3/b5-4+",KRJGXNAUJLJILU,SNAWJCMRSA,N,"4-Hydroxy-3,5,4'-trimethoxystilbene",KRJGXNAUJLJILU-SNAWJCMRSA-N
HMDB41681,318.146723814,C18H22O5,OCC(CC1=CC(O)=C(O)C=C1)C(CO)CC1=CC=CC(O)=C1,"InChI=1S/C18H22O5/c19-10-14(6-12-2-1-3-16(21)8-12)15(11-20)7-13-4-5-17(22)18(23)9-13/h1-5,8-9,14-15,19-23H,6-7,10-11H2",SSJFHTSLUHPBHD,UHFFFAOYSA,N,4-Hydroxyenterodiol,SSJFHTSLUHPBHD-UHFFFAOYSA-N
HMDB41682,314.115423686,C18H18O5,OC1=CC=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=C(O)C=C2)=C1,"InChI=1S/C18H18O5/c19-14-3-1-2-11(7-14)6-13-10-23-18(22)15(13)8-12-4-5-16(20)17(21)9-12/h1-5,7,9,13,15,19-21H,6,8,10H2/t13-,15+/m0/s1",NFWHNQANQSCHGT,DZGCQCFKSA,N,4-Hydroxyenterolactone,NFWHNQANQSCHGT-DZGCQCFKSA-N
HMDB41683,166.062994186,C9H10O3,CC(C(O)=O)C1=CC=C(O)C=C1,"InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)",ZHMMPVANGNPCBW,UHFFFAOYSA,N,4-Hydroxyphenyl-2-propionic acid,ZHMMPVANGNPCBW-UHFFFAOYSA-N
HMDB41684,479.1189512,C22H23O12,COC1=C(O)C=C(C=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C22H22O12/c1-31-21-12(26)2-8(3-13(21)27)20-15(6-10-11(25)4-9(24)5-14(10)32-20)33-22-19(30)18(29)17(28)16(7-23)34-22/h2-6,16-19,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,17-,18+,19-,22-/m1/s1",JMQNGULBWFJHCJ,NFSXTHTRSA,O,4'-O-Methyldelphinidin 3-O-beta-D-glucoside,JMQNGULBWFJHCJ-NFSXTHTRSA-O
HMDB41685,274.084123558,C15H14O5,CC(C(=O)C1=C(O)C=C(O)C(O)=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H14O5/c1-8(9-2-4-10(16)5-3-9)15(20)11-6-13(18)14(19)7-12(11)17/h2-8,16-19H,1H3",MPGFHNNVFUGPOX,UHFFFAOYSA,N,5'-Hydroxy-O-desmethylangolensin,MPGFHNNVFUGPOX-UHFFFAOYSA-N
HMDB41686,288.099773622,C16H16O5,COC1=CC(C(=O)C(C)C2=CC=C(O)C=C2)=C(O)C=C1O,"InChI=1S/C16H16O5/c1-9(10-3-5-11(17)6-4-10)16(20)12-7-15(21-2)14(19)8-13(12)18/h3-9,17-19H,1-2H3",NAIOQCWMMFVXSV,UHFFFAOYSA,N,5'-Methoxy-O-desmethylangolensin,NAIOQCWMMFVXSV-UHFFFAOYSA-N
HMDB41687,302.042652674,C15H10O7,OC1=CC=C(C=C1O)C1=COC2=CC(O)=C(O)C(O)=C2C1=O,"InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)7-5-22-11-4-10(18)14(20)15(21)12(11)13(7)19/h1-5,16-18,20-21H",BIDDAFIPYBBDES,UHFFFAOYSA,N,"5,6,7,3',4'-Pentahydroxyisoflavone",BIDDAFIPYBBDES-UHFFFAOYSA-N
HMDB41688,286.047738052,C15H10O6,OC1=CC=C(C=C1)C1=COC2=CC(O)=C(O)C(O)=C2C1=O,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)9-6-21-11-5-10(17)14(19)15(20)12(11)13(9)18/h1-6,16-17,19-20H",HDXSEWOOSVMREY,UHFFFAOYSA,N,"5,6,7,4'-Tetrahydroxyisoflavone",HDXSEWOOSVMREY-UHFFFAOYSA-N
HMDB41689,302.042652674,C15H10O7,OC1=CC=C(C=C1O)C1=COC2=C(O)C(O)=CC(O)=C2C1=O,"InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)7-5-22-15-12(13(7)20)10(18)4-11(19)14(15)21/h1-5,16-19,21H",USQGZNXXBDCNQF,UHFFFAOYSA,N,"5,7,8,3',4'-Pentahydroxyisoflavone",USQGZNXXBDCNQF-UHFFFAOYSA-N
HMDB41690,330.073952802,C17H14O7,COC1=CC(O)=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2OC)C1=O,"InChI=1S/C17H14O7/c1-22-8-3-4-9(11(18)5-8)10-7-24-17-14(15(10)21)12(19)6-13(20)16(17)23-2/h3-7,18-20H,1-2H3",NMTDSSMVJNLVNU,UHFFFAOYSA,N,"5,7-Dihydroxy-8,4'-dimethoxyisoflavone",NMTDSSMVJNLVNU-UHFFFAOYSA-N
HMDB41691,224.068473494,C11H12O5,OC1=CC(CC2CCC(=O)O2)=CC(O)=C1O,"InChI=1S/C11H12O5/c12-8-4-6(5-9(13)11(8)15)3-7-1-2-10(14)16-7/h4-5,7,12-13,15H,1-3H2",CZVAQLJEUUFQCH,UHFFFAOYSA,N,"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone",CZVAQLJEUUFQCH-UHFFFAOYSA-N
HMDB41692,208.073558872,C11H12O4,OC1=CC(CC2CCC(=O)O2)=CC(O)=C1,"InChI=1S/C11H12O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10,12-13H,1-2,5H2",WAKFBGOXOFLZLZ,UHFFFAOYSA,N,"5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone",WAKFBGOXOFLZLZ-UHFFFAOYSA-N
HMDB41693,384.10564686,C17H20O10,O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC(CC3CCC(=O)O3)=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C17H20O10/c18-8-3-7(4-9-1-2-11(19)25-9)5-10(6-8)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h3,5-6,9,12-15,17-18,20-22H,1-2,4H2,(H,23,24)/t9?,12-,13-,14+,15-,17+/m0/s1",RUSMDDXSDLDLKU,PHPHFFAHSA,N,"5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide",RUSMDDXSDLDLKU-PHPHFFAHSA-N
HMDB41694,314.115423686,C18H18O5,OC1=CC=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=CC(O)=C2)=C1,"InChI=1S/C18H18O5/c19-14-3-1-2-11(5-14)4-13-10-23-18(22)17(13)8-12-6-15(20)9-16(21)7-12/h1-3,5-7,9,13,17,19-21H,4,8,10H2/t13-,17+/m0/s1",VZASJFJTVXPGCE,SUMWQHHRSA,N,5-Hydroxyenterolactone,VZASJFJTVXPGCE-SUMWQHHRSA-N
HMDB41695,274.084123558,C15H14O5,CC(C(=O)C1=C(O)C=C(O)C=C1O)C1=CC=C(O)C=C1,"InChI=1S/C15H14O5/c1-8(9-2-4-10(16)5-3-9)15(20)14-12(18)6-11(17)7-13(14)19/h2-8,16-19H,1H3",IEFUAUZFJJOQMC,UHFFFAOYSA,N,6'-Hydroxy-O-desmethylangolensin,IEFUAUZFJJOQMC-UHFFFAOYSA-N
HMDB41696,288.099773622,C16H16O5,COC1=CC=C(C=C1)C(C)C(=O)C1=C(O)C=C(O)C=C1O,"InChI=1S/C16H16O5/c1-9(10-3-5-12(21-2)6-4-10)16(20)15-13(18)7-11(17)8-14(15)19/h3-9,17-19H,1-2H3",UDALNYNLNYDPMV,UHFFFAOYSA,N,6'-Hydroxyangolensin,UDALNYNLNYDPMV-UHFFFAOYSA-N
HMDB41697,314.115423686,C18H18O5,OC1=CC=CC(C[C@@H]2[C@@H](CC3=CC(O)=CC=C3O)COC2=O)=C1,"InChI=1S/C18H18O5/c19-14-3-1-2-11(6-14)7-16-13(10-23-18(16)22)8-12-9-15(20)4-5-17(12)21/h1-6,9,13,16,19-21H,7-8,10H2/t13-,16+/m0/s1",OUWRXHXCIKQNEC,XJKSGUPXSA,N,6'-Hydroxyenterolactone,OUWRXHXCIKQNEC-XJKSGUPXSA-N
HMDB41698,272.068473494,C15H12O5,OC1=CC=C(C=C1)C1COC2=CC(O)=C(O)C=C2C1=O,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-6,11,16-18H,7H2",ZAIJTQZQMCNJHG,UHFFFAOYSA,N,6-Hydroxydihydrodaidzein,ZAIJTQZQMCNJHG-UHFFFAOYSA-N
HMDB41699,318.146723814,C18H22O5,OCC(CC1=CC=CC(O)=C1)C(CO)CC1=CC(O)=CC=C1O,"InChI=1S/C18H22O5/c19-10-14(6-12-2-1-3-16(21)7-12)15(11-20)8-13-9-17(22)4-5-18(13)23/h1-5,7,9,14-15,19-23H,6,8,10-11H2",IIIPQSPGJDLZTP,UHFFFAOYSA,N,6-Hydroxyenterodiol,IIIPQSPGJDLZTP-UHFFFAOYSA-N
HMDB41700,314.115423686,C18H18O5,OC1=CC(C[C@@H]2[C@@H](CC3=CC(O)=CC=C3)COC2=O)=C(O)C=C1,"InChI=1S/C18H18O5/c19-14-3-1-2-11(7-14)6-13-10-23-18(22)16(13)9-12-8-15(20)4-5-17(12)21/h1-5,7-8,13,16,19-21H,6,9-10H2/t13-,16+/m0/s1",ZMNWDZAVQFERIQ,XJKSGUPXSA,N,6-Hydroxyenterolactone,ZMNWDZAVQFERIQ-XJKSGUPXSA-N
HMDB41701,272.104859,C16H16O4,COC1=C(O)C=C2OC[C@@H](CC2=C1)C1=CC=C(O)C=C1,"InChI=1S/C16H16O4/c1-19-16-7-11-6-12(9-20-15(11)8-14(16)18)10-2-4-13(17)5-3-10/h2-5,7-8,12,17-18H,6,9H2,1H3/t12-/m1/s1",UIGOOLXQMJUBBW,GFCCVEGCSA,N,6-O-Methylequol,UIGOOLXQMJUBBW-GFCCVEGCSA-N
HMDB41702,286.047738052,C15H10O6,OC1=CC=C(C=C1O)C1=COC2=C(O)C(O)=CC=C2C1=O,"InChI=1S/C15H10O6/c16-10-3-1-7(5-12(10)18)9-6-21-15-8(13(9)19)2-4-11(17)14(15)20/h1-6,16-18,20H",VMOBWBRUROXCOO,UHFFFAOYSA,N,"7,8,3',4'-Tetrahydroxyisoflavone",VMOBWBRUROXCOO-UHFFFAOYSA-N
HMDB41703,314.115423686,C18H18O5,OC([C@@H]1[C@@H](CC2=CC(O)=CC=C2)COC1=O)C1=CC(O)=CC=C1,"InChI=1S/C18H18O5/c19-14-5-1-3-11(8-14)7-13-10-23-18(22)16(13)17(21)12-4-2-6-15(20)9-12/h1-6,8-9,13,16-17,19-21H,7,10H2/t13-,16-,17?/m0/s1",NRAPUSPCLWHFAN,CCBDSKLWSA,N,7-Hydroxyenterolactone,NRAPUSPCLWHFAN-CCBDSKLWSA-N
HMDB41704,272.068473494,C15H12O5,OC1=CC=C(C=C1)C1COC2=C(O)C(O)=CC=C2C1=O,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-6,11,16-17,19H,7H2",IPNJSNNLHGSALU,UHFFFAOYSA,N,8-Hydroxydihydrodaidzein,IPNJSNNLHGSALU-UHFFFAOYSA-N
HMDB41705,356.074346732,C15H16O10,O[C@H]1[C@H](OC2=C(O)C=CC(\C=C\C(O)=O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C15H16O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1",BSOMSDFTZKNUHY,ZYZFHZPYSA,N,Caffeic acid 3-O-glucuronide,BSOMSDFTZKNUHY-ZYZFHZPYSA-N
HMDB41706,259.9990733,C9H8O7S,OC(=O)\C=C\C1=CC(OS(O)(=O)=O)=C(O)C=C1,"InChI=1S/C9H8O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+",VWQNTRNACRFUCQ,DUXPYHPUSA,N,Caffeic acid 3-sulfate,VWQNTRNACRFUCQ-DUXPYHPUSA-N
HMDB41707,356.074346732,C15H16O10,O[C@H]1[C@H](OC2=C(O)C=C(\C=C\C(O)=O)C=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C15H16O10/c16-7-5-6(2-4-9(17)18)1-3-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1",LTGOIJNQWZWJRF,ZYZFHZPYSA,N,Caffeic acid 4-O-glucuronide,LTGOIJNQWZWJRF-ZYZFHZPYSA-N
HMDB41708,259.9990733,C9H8O7S,OC(=O)\C=C\C1=CC(O)=C(OS(O)(=O)=O)C=C1,"InChI=1S/C9H8O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+",SNVAIAITQIIEMQ,DUXPYHPUSA,N,Caffeic acid 4-sulfate,SNVAIAITQIIEMQ-DUXPYHPUSA-N
HMDB41709,356.074346732,C15H16O10,O[C@H]1[C@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C15H16O10/c16-7-3-1-6(5-8(7)17)2-4-9(18)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-17,19-21H,(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1",VMGJMCCDXJNCOK,ZYZFHZPYSA,N,Caffeoyl C1-glucuronide,VMGJMCCDXJNCOK-ZYZFHZPYSA-N
HMDB41710,258.089208936,C15H14O4,O[C@H]1[C@H](COC2=CC(O)=CC=C12)C1=CC=C(O)C=C1,"InChI=1S/C15H14O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,15-18H,8H2/t13-,15-/m1/s1",YOSDNAMJVOLJKI,UKRRQHHQSA,N,cis-4-Hydroxyequol,YOSDNAMJVOLJKI-UKRRQHHQSA-N
HMDB41711,404.110732238,C20H20O9,O[C@H]1[C@H](OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1-/t15-,16-,17+,18-,20+/m0/s1",QWSAYEBSTMCFKY,BMPGWQKJSA,N,cis-Resveratrol 3-O-glucuronide,QWSAYEBSTMCFKY-BMPGWQKJSA-N
HMDB41712,308.035458806,C14H12O6S,OC1=CC=C(\C=C/C2=CC(OS(O)(=O)=O)=CC(O)=C2)C=C1,"InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1-",DULQFFCIVGYOFH,UPHRSURJSA,N,cis-Resveratrol 3-sulfate,DULQFFCIVGYOFH-UPHRSURJSA-N
HMDB41713,404.110732238,C20H20O9,O[C@H]1[C@H](OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1-/t15-,16-,17+,18-,20+/m0/s1",CDEBVTGYVFHDMA,BMPGWQKJSA,N,cis-Resveratrol 4'-O-glucuronide,CDEBVTGYVFHDMA-BMPGWQKJSA-N
HMDB41714,308.035458806,C14H12O6S,OC1=CC(\C=C/C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1,"InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1-",KOTTWDFKZULRPN,UPHRSURJSA,N,cis-Resveratrol 4'-sulfate,KOTTWDFKZULRPN-UPHRSURJSA-N
HMDB41715,949.261377496,C43H49O24,COC1=CC(=CC=C1O)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](COC(=O)\C=C\C3=CC(O)=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=CC(O)=C2,"InChI=1S/C43H48O24/c1-59-25-9-17(4-6-21(25)48)39-26(12-19-23(61-39)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41)63-43-40(67-42-38(58)35(55)32(52)28(14-45)65-42)36(56)33(53)29(66-43)15-60-30(50)7-3-16-2-5-20(47)22(49)8-16/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1/t27-,28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,40-,41-,42+,43-/m1/s1",DGVPBUDMTNUREK,FRWPPZSRSA,O,Cyanidin 3-[2-(6-(E)-caffeoyl-glucoside)-glucoside] 5-glucoside,DGVPBUDMTNUREK-FRWPPZSRSA-O
HMDB41716,773.214033374,C33H41O21,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C33H40O21/c34-7-18-21(39)24(42)27(45)31(52-18)48-9-20-23(41)26(44)29(47)33(54-20)51-17-6-12-15(49-30(17)10-1-2-13(37)14(38)3-10)4-11(36)5-16(12)50-32-28(46)25(43)22(40)19(8-35)53-32/h1-6,18-29,31-35,39-47H,7-9H2,(H2-,36,37,38)/p+1/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1",KVPLVCKTEICQDV,PQFOCHFESA,O,Cyanidin 3-diglucoside 5-glucoside,KVPLVCKTEICQDV-PQFOCHFESA-O
HMDB41717,430.089996796,C21H18O10,O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=CC(O)=CC=C3C2=O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H18O10/c22-10-3-6-12-14(7-10)29-8-13(15(12)23)9-1-4-11(5-2-9)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1",ATUYSKUVHUPXBV,ZFORQUDYSA,N,Daidzein 4'-O-glucuronide,ATUYSKUVHUPXBV-ZFORQUDYSA-N
HMDB41718,430.089996796,C21H18O10,O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H18O10/c22-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)23)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1",MMIBOZXVZLENRZ,ZFORQUDYSA,N,Daidzein 7-O-glucuronide,MMIBOZXVZLENRZ-ZFORQUDYSA-N
HMDB41719,592.142820226,C27H28O15,OC[C@H]1O[C@@H](OC2=CC=C3C(OC=C(C3=O)C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C27H28O15/c28-8-16-18(30)19(31)22(34)26(41-16)40-12-5-6-13-15(7-12)38-9-14(17(13)29)10-1-3-11(4-2-10)39-27-23(35)20(32)21(33)24(42-27)25(36)37/h1-7,9,16,18-24,26-28,30-35H,8H2,(H,36,37)/t16-,18-,19+,20+,21+,22-,23-,24+,26-,27-/m1/s1",GYUSQHGUWBBSRO,VQFZQRBBSA,N,Daidzin 4'-O-glucuronide,GYUSQHGUWBBSRO-VQFZQRBBSA-N
HMDB41720,358.089996796,C15H18O10,O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=CC(CCC(O)=O)=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C15H18O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1,3,5,10-13,15-16,19-21H,2,4H2,(H,17,18)(H,22,23)/t10-,11-,12+,13-,15+/m0/s1",AELQNMHOLDHBFA,DKBOKBLXSA,N,Dihydrocaffeic acid 3-O-glucuronide,AELQNMHOLDHBFA-DKBOKBLXSA-N
HMDB41721,262.014723364,C9H10O7S,OC(=O)CCC1=CC(OS(O)(=O)=O)=C(O)C=C1,"InChI=1S/C9H10O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15)",MIMULQQHBAZGER,UHFFFAOYSA,N,Dihydrocaffeic acid 3-sulfate,MIMULQQHBAZGER-UHFFFAOYSA-N
HMDB41722,432.10564686,C21H20O10,O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=O)C(COC3=C2)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H20O10/c22-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)23)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-7,13,16-19,21-22,24-26H,8H2,(H,27,28)/t13?,16-,17-,18+,19-,21+/m0/s1",SMUUTIXQVTUCJD,DNPGXZAYSA,N,Dihydrodaidzein 7-O-glucuronide,SMUUTIXQVTUCJD-DNPGXZAYSA-N
HMDB41723,372.10564686,C16H20O10,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(CCC(O)=O)=C1,"InChI=1S/C16H20O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1",KYERCTIKYSSKPA,JHZZJYKESA,N,Dihydroferulic acid 4-O-glucuronide,KYERCTIKYSSKPA-JHZZJYKESA-N
HMDB41724,276.030373428,C10H12O7S,COC1=C(OS(O)(=O)=O)C=CC(CCC(O)=O)=C1,"InChI=1S/C10H12O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15)",UMCDODPBPQMWQP,UHFFFAOYSA,N,Dihydroferulic acid 4-sulfate,UMCDODPBPQMWQP-UHFFFAOYSA-N
HMDB41725,253.095022595,C12H15NO5,COC1=CC(CCC(=O)OC(=O)CN)=CC=C1O,"InChI=1S/C12H15NO5/c1-17-10-6-8(2-4-9(10)14)3-5-11(15)18-12(16)7-13/h2,4,6,14H,3,5,7,13H2,1H3",YCUOBBBUKFJPOD,UHFFFAOYSA,N,Dihydroferuloylglycine,YCUOBBBUKFJPOD-UHFFFAOYSA-N
HMDB41726,286.084123558,C16H14O5,COC1=C(O)C=C2OCC(C(=O)C2=C1)C1=CC=C(O)C=C1,"InChI=1S/C16H14O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-7,12,17-18H,8H2,1H3",HEZSALBPROZVOO,UHFFFAOYSA,N,Dihydroglycitein,HEZSALBPROZVOO-UHFFFAOYSA-N
HMDB41727,226.084123558,C11H14O5,COC1=CC(CCC(O)=O)=CC(OC)=C1O,"InChI=1S/C11H14O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h5-6,14H,3-4H2,1-2H3,(H,12,13)",BPPVOXVSMSXBEI,UHFFFAOYSA,N,Dihydrosinapic acid,BPPVOXVSMSXBEI-UHFFFAOYSA-N
HMDB41728,466.111126168,C21H22O12,O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C1)C=C(O)C=C2O,"InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1",BUONZQIZWIITTB,CVPXIJHMSA,N,(-)-Epicatechin 3'-O-glucuronide,BUONZQIZWIITTB-CVPXIJHMSA-N
HMDB41729,466.111126168,C21H22O12,O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2O,"InChI=1S/C21H22O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,13,15-19,21-28H,6H2,(H,29,30)/t13-,15+,16+,17-,18-,19+,21-/m1/s1",FDWDKTKDGDLDTP,BBGDWMAASA,N,(-)-Epicatechin 7-O-glucuronide,FDWDKTKDGDLDTP-BBGDWMAASA-N
HMDB41730,796.169822836,C34H36O22,OC[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](OC(=O)C4=CC(O)=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(O)=C4)[C@H](OC3=C2)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C34H36O22/c35-8-20-22(42)23(43)26(46)33(54-20)51-11-5-13(36)12-7-19(28(52-18(12)6-11)9-1-14(37)21(41)15(38)2-9)53-32(50)10-3-16(39)29(17(40)4-10)55-34-27(47)24(44)25(45)30(56-34)31(48)49/h1-6,19-20,22-28,30,33-47H,7-8H2,(H,48,49)/t19-,20-,22-,23+,24+,25+,26-,27-,28-,30+,33-,34-/m1/s1",MEJVQGMMZHEGNA,GIVLKYJESA,N,"(-)-Epigallocatechin 3-gallate 7-glucoside 4""-glucuronide",MEJVQGMMZHEGNA-GIVLKYJESA-N
HMDB41731,418.126382302,C21H22O9,O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)[C@H]2COC3=CC(O)=CC=C3C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H22O9/c22-13-4-1-11-7-12(9-28-15(11)8-13)10-2-5-14(6-3-10)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h1-6,8,12,16-19,21-25H,7,9H2,(H,26,27)/t12-,16+,17+,18-,19+,21-/m1/s1",VIKIIYUHWNDRNI,LVEHSUOCSA,N,Equol 4'-O-glucuronide,VIKIIYUHWNDRNI-LVEHSUOCSA-N
HMDB41732,418.126382302,C21H22O9,O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C[C@H](COC3=C2)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H22O9/c22-13-4-1-10(2-5-13)12-7-11-3-6-14(8-15(11)28-9-12)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h1-6,8,12,16-19,21-25H,7,9H2,(H,26,27)/t12-,16+,17+,18-,19+,21-/m1/s1",XDPLKWRSVXUQBN,LVEHSUOCSA,N,Equol 7-O-glucuronide,XDPLKWRSVXUQBN-LVEHSUOCSA-N
HMDB41733,370.089996796,C16H18O10,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(\C=C\C(O)=O)=C1,"InChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1",TWSIWBHKRJLZCF,MBAOVNHDSA,N,Ferulic acid 4-O-glucuronide,TWSIWBHKRJLZCF-MBAOVNHDSA-N
HMDB41734,370.089996796,C16H18O10,COC1=CC(\C=C\C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC=C1O,"InChI=1S/C16H18O10/c1-24-9-6-7(2-4-8(9)17)3-5-10(18)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16-17,19-21H,1H3,(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1",QJPVKEBTJJKZFP,MBAOVNHDSA,N,Feruloyl C1-glucuronide,QJPVKEBTJJKZFP-MBAOVNHDSA-N
HMDB41735,444.10564686,C22H20O10,COC1=CC=C(C=C1)C1=COC2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=CC=C2C1=O,"InChI=1S/C22H20O10/c1-29-11-4-2-10(3-5-11)14-9-30-15-8-12(6-7-13(15)16(14)23)31-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22+/m0/s1",UMBVLOHYPOQARY,SXFAUFNYSA,N,Formononetin 7-O-glucuronide,UMBVLOHYPOQARY-SXFAUFNYSA-N
HMDB41736,622.116999406,C27H26O17,O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=C(C(O)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3)C2=O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C27H26O17/c28-12-5-10(42-27-21(35)17(31)19(33)23(44-27)25(38)39)6-13-14(12)15(29)11(7-40-13)8-1-3-9(4-2-8)41-26-20(34)16(30)18(32)22(43-26)24(36)37/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1",DFJSPRNCKDBZIJ,MWBUVXCNSA,N,"Genistein 4',7-O-diglucuronide",DFJSPRNCKDBZIJ-MWBUVXCNSA-N
HMDB41737,446.084911418,C21H18O11,O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=C(C(O)=CC(O)=C3)C2=O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H18O11/c22-9-5-12(23)14-13(6-9)30-7-11(15(14)24)8-1-3-10(4-2-8)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",NHEBJNCJBWUPCK,ZFORQUDYSA,N,Genistein 4'-O-glucuronide,NHEBJNCJBWUPCK-ZFORQUDYSA-N
HMDB41738,446.084911418,C21H18O11,O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=C2C(=O)C(=CO3)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-12-5-10(23)6-13(14(12)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",IOJNOBYNWXBNBY,ZFORQUDYSA,N,Genistein 5-O-glucuronide,IOJNOBYNWXBNBY-ZFORQUDYSA-N
HMDB41739,446.084911418,C21H18O11,O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",JIVINIISUDEORF,ZFORQUDYSA,N,Genistein 7-O-glucuronide,JIVINIISUDEORF-ZFORQUDYSA-N
HMDB41740,460.100561482,C22H20O11,COC1=C(O)C=C2OC=C(C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)C(=O)C2=C1,"InChI=1S/C22H20O11/c1-30-15-6-11-14(7-13(15)23)31-8-12(16(11)24)9-2-4-10(5-3-9)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1",FXGSRMKCZRQRER,SXFAUFNYSA,N,Glycitein 4'-O-glucuronide,FXGSRMKCZRQRER-SXFAUFNYSA-N
HMDB41741,460.100561482,C22H20O11,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2OC=C(C3=CC=C(O)C=C3)C(=O)C2=C1,"InChI=1S/C22H20O11/c1-30-14-6-11-13(31-8-12(16(11)24)9-2-4-10(23)5-3-9)7-15(14)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1",HVZUFDAWJOXFQU,SXFAUFNYSA,N,Glycitein 7-O-glucuronide,HVZUFDAWJOXFQU-SXFAUFNYSA-N
HMDB41742,654.143214156,C28H30O18,COC1=CC=C(C=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2O,"InChI=1S/C28H30O18/c1-41-12-3-2-8(4-14(12)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-6,13,17-24,27-29,31-36H,7H2,1H3,(H,37,38)(H,39,40)/t13?,17-,18-,19-,20-,21+,22+,23-,24-,27+,28+/m0/s1",DRQALSJOSDMKCR,HXPBIGRZSA,N,"Hesperetin 3',7-O-diglucuronide",DRQALSJOSDMKCR-HXPBIGRZSA-N
HMDB41743,478.111126168,C22H22O12,COC1=CC=C(C=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1CC(=O)C2=C(O1)C=C(O)C=C2O,"InChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t13?,17-,18-,19+,20-,22+/m0/s1",PJAUEKWZQWLQSU,WDXLFLMVSA,N,Hesperetin 3'-O-glucuronide,PJAUEKWZQWLQSU-WDXLFLMVSA-N
HMDB41744,654.143214156,C28H30O18,COC1=CC=C(C=C1O)C1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C28H30O18/c1-41-12-3-2-8(4-10(12)29)13-7-11(30)16-14(43-13)5-9(42-27-21(35)17(31)19(33)23(45-27)25(37)38)6-15(16)44-28-22(36)18(32)20(34)24(46-28)26(39)40/h2-6,13,17-24,27-29,31-36H,7H2,1H3,(H,37,38)(H,39,40)/t13?,17-,18-,19-,20-,21+,22+,23-,24-,27+,28+/m0/s1",DDHZYRQUEFLRIC,HXPBIGRZSA,N,"Hesperetin 5,7-O-diglucuronide",DDHZYRQUEFLRIC-HXPBIGRZSA-N
HMDB41745,478.111126168,C22H22O12,COC1=CC=C(C=C1O)C1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2O,"InChI=1S/C22H22O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,14,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t14?,17-,18-,19+,20-,22+/m0/s1",NEAWXAXVQDDFJL,PLEVBHNASA,N,Hesperetin 7-O-glucuronide,NEAWXAXVQDDFJL-PLEVBHNASA-N
HMDB41746,490.111126168,C23H22O12,COC1=CC=C(C=C1)C1=COC2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(OC)C(O)=C2C1=O,"InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)11-8-33-12-7-13(20(32-2)16(25)14(12)15(11)24)34-23-19(28)17(26)18(27)21(35-23)22(29)30/h3-8,17-19,21,23,25-28H,1-2H3,(H,29,30)/t17-,18-,19+,21-,23+/m0/s1",IOKMQETVPIUDOP,VLXBDIDVSA,N,Irisolidone 7-O-glucuronide,IOKMQETVPIUDOP-VLXBDIDVSA-N
HMDB41747,370.089996796,C16H18O10,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(\C=C\C(O)=O)C=C1,"InChI=1S/C16H18O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1",SHJZLGVIOYFHCB,MBAOVNHDSA,N,Isoferulic acid 3-O-glucuronide,SHJZLGVIOYFHCB-MBAOVNHDSA-N
HMDB41748,274.014723364,C10H10O7S,COC1=C(OS(O)(=O)=O)C=C(\C=C\C(O)=O)C=C1,"InChI=1S/C10H10O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+",DCMKMHVTKFJMAU,HWKANZROSA,N,Isoferulic acid 3-sulfate,DCMKMHVTKFJMAU-HWKANZROSA-N
HMDB41749,370.089996796,C16H18O10,COC1=CC=C(\C=C\C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1O,"InChI=1S/C16H18O10/c1-24-9-4-2-7(6-8(9)17)3-5-10(18)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16-17,19-21H,1H3,(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1",RBJXXYNRHTWXDN,MBAOVNHDSA,N,Isoferuloyl C1-glucuronide,RBJXXYNRHTWXDN-MBAOVNHDSA-N
HMDB41750,433.113471892,C21H21O10,COC1=C(O)C=C(C=C1)C1=C(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C21H20O10/c1-28-14-3-2-9(4-13(14)25)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-12(24)5-10(23)6-15(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18-,19+,21+/m1/s1",FXNWBJIHSLHFRS,BNDYYXHWSA,O,Isopeonidin 3-arabinoside,FXNWBJIHSLHFRS-BNDYYXHWSA-O
HMDB41751,463.124036578,C22H23O11,COC1=C(O)C=C(C=C1)C1=C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-13(14)26)21-16(7-11-12(25)5-10(24)6-15(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18+,19+,20-,22-/m1/s1",CNTWHHYMFNSRNJ,VRRLNDPFSA,O,Isopeonidin 3-galactoside,CNTWHHYMFNSRNJ-VRRLNDPFSA-O
HMDB41752,463.124036578,C22H23O11,COC1=C(O)C=C(C=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-13(14)26)21-16(7-11-12(25)5-10(24)6-15(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1",CNTWHHYMFNSRNJ,OUUKCGNVSA,O,Isopeonidin 3-glucoside,CNTWHHYMFNSRNJ-OUUKCGNVSA-O
HMDB41753,609.181945386,C28H33O15,COC1=CC=C(C=C1O)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2,"InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-14(30)6-12(29)7-17(13)41-26(18)11-3-4-16(38-2)15(31)5-11/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/p+1/t10-,19+,20-,21+,22+,23-,24+,25+,27+,28+/m0/s1",CLKYQBTVJZYKOK,HUJUZFAXSA,O,Isopeonidin 3-rutinoside,CLKYQBTVJZYKOK-HUJUZFAXSA-O
HMDB41754,595.166295322,C27H31O15,COC1=C(O)C=C(C=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C27H30O15/c1-37-16-3-2-10(4-14(16)31)24-18(7-12-13(30)5-11(29)6-17(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1/t15-,19-,20+,21-,22+,23-,25-,26+,27-/m1/s1",NZLZAGYUNATZMP,UVSNCIQKSA,O,Isopeonidin 3-sambubioside,NZLZAGYUNATZMP-UVSNCIQKSA-O
HMDB41755,433.113471892,C21H21O10,COC1=C(O)C=C(C=C1)C1=C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C21H20O10/c1-28-14-3-2-9(4-13(14)25)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-12(24)5-10(23)6-15(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18+,19-,21-/m1/s1",FXNWBJIHSLHFRS,RCLSDMTESA,O,Isopeonidin 3-xyloside,FXNWBJIHSLHFRS-RCLSDMTESA-O
HMDB41756,240.099773622,C12H16O5,CC(C)OC(=O)C(O)CC1=CC(O)=C(O)C=C1,"InChI=1S/C12H16O5/c1-7(2)17-12(16)11(15)6-8-3-4-9(13)10(14)5-8/h3-5,7,11,13-15H,6H2,1-2H3",ZYFWDUKUSGLMGL,UHFFFAOYSA,N,"Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate",ZYFWDUKUSGLMGL-UHFFFAOYSA-N
HMDB41757,492.090390726,C22H20O13,COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C22H20O13/c1-32-11-4-7(19-16(27)14(25)13-9(24)5-8(23)6-12(13)33-19)2-3-10(11)34-22-18(29)15(26)17(28)20(35-22)21(30)31/h2-6,15,17-18,20,22-24,26-29H,1H3,(H,30,31)/t15-,17-,18+,20-,22+/m0/s1",NCHMCZDLVWDQLC,YWQONGFDSA,N,Isorhamnetin 4'-O-glucuronide,NCHMCZDLVWDQLC-YWQONGFDSA-N
HMDB41758,284.068473494,C16H12O5,COC1=C(O)C=C2C(OC(=O)C=C2C2=CC=C(O)C=C2)=C1,"InChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",HUGUGFBIYQBLCS,UHFFFAOYSA,N,Melanettin,HUGUGFBIYQBLCS-UHFFFAOYSA-N
HMDB41759,448.100561482,C21H20O11,O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1",DFIUUCDSSKATFP,DNPGXZAYSA,N,Naringenin 4'-O-glucuronide,DFIUUCDSSKATFP-DNPGXZAYSA-N
HMDB41760,448.100561482,C21H20O11,O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=C2C(=O)CC(O3)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)12-7-11(24)15-13(30-12)5-10(23)6-14(15)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,12,16-19,21-23,25-27H,7H2,(H,28,29)/t12?,16-,17-,18+,19-,21+/m0/s1",ZTQGTBHHQGGBSV,ATVZYYHQSA,N,Naringenin 5-O-glucuronide,ZTQGTBHHQGGBSV-ATVZYYHQSA-N
HMDB41761,448.100561482,C21H20O11,O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C=C3)C(O)=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1",BDCRTIDKZGEVEN,DNPGXZAYSA,N,Naringenin 7-O-glucuronide,BDCRTIDKZGEVEN-DNPGXZAYSA-N
HMDB41762,949.261377496,C43H49O24,COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](COC(=O)\C=C\C3=CC=C(O)C(O)=C3)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=CC2=[O+]1,"InChI=1S/C43H48O24/c1-59-25-9-17(4-6-21(25)48)39-26(12-19-23(61-39)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41)63-43-40(36(56)32(52)28(14-45)65-43)67-42-38(58)35(55)33(53)29(66-42)15-60-30(50)7-3-16-2-5-20(47)22(49)8-16/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1/t27-,28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,40-,41-,42+,43-/m1/s1",HFNKXOBZVJNMRG,FRWPPZSRSA,O,Peonidin 3-(2-(6-(E)-caffeoyl-beta-D-glucosyl)-beta-D-glucoside) 5-beta-D-glucoside,HFNKXOBZVJNMRG-FRWPPZSRSA-O
HMDB41763,787.229683438,C34H43O21,COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=CC2=[O+]1,"InChI=1S/C34H42O21/c1-48-17-4-11(2-3-14(17)38)31-18(7-13-15(50-31)5-12(37)6-16(13)51-33-29(46)26(43)23(40)20(9-36)54-33)52-34-30(47)27(44)24(41)21(55-34)10-49-32-28(45)25(42)22(39)19(8-35)53-32/h2-7,19-30,32-36,39-47H,8-10H2,1H3,(H-,37,38)/p+1/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29-,30-,32-,33-,34-/m1/s1",CTPVRNHONLVYJU,ZZEFOAGVSA,O,Peonidin 3-diglucoside 5-glucoside,CTPVRNHONLVYJU-ZZEFOAGVSA-O
HMDB41764,595.166295322,C27H31O15,COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C27H30O15/c1-37-17-4-10(2-3-13(17)30)24-18(7-12-14(31)5-11(29)6-16(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1/t15-,19-,20+,21-,22+,23-,25-,26+,27-/m1/s1",PYUGATAPBPHGFK,UVSNCIQKSA,O,Peonidin 3-sambubioside,PYUGATAPBPHGFK-UVSNCIQKSA-O
HMDB41765,757.219118752,C33H41O20,COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C=C2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=CC2=[O+]1,"InChI=1S/C33H40O20/c1-46-17-4-11(2-3-14(17)38)29-18(49-33-30(26(43)23(40)20(9-35)52-33)53-32-27(44)24(41)21(10-36)51-32)7-13-15(47-29)5-12(37)6-16(13)48-31-28(45)25(42)22(39)19(8-34)50-31/h2-7,19-28,30-36,39-45H,8-10H2,1H3,(H-,37,38)/p+1/t19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,30-,31-,32+,33-/m1/s1",SAYKPBCLCFGKFE,YHZZWPFKSA,O,Peonidin 3-sambubioside 5-glucoside,SAYKPBCLCFGKFE-YHZZWPFKSA-O
HMDB41766,625.176860008,C28H33O16,COC1=C(O)C=CC(=C1)C1=C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C28H32O16/c1-39-16-4-10(2-3-13(16)32)25-17(7-12-14(33)5-11(31)6-15(12)40-25)41-28-26(23(37)21(35)19(9-30)43-28)44-27-24(38)22(36)20(34)18(8-29)42-27/h2-7,18-24,26-30,34-38H,8-9H2,1H3,(H2-,31,32,33)/p+1/t18-,19-,20-,21-,22+,23+,24-,26+,27+,28+/m1/s1",GLKWRYCXULXFHP,YGEFSZHHSA,O,Peonidin 3-sophoroside,GLKWRYCXULXFHP-YGEFSZHHSA-O
HMDB41767,433.113471892,C21H21O10,COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1,"InChI=1S/C21H20O10/c1-28-15-4-9(2-3-12(15)24)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-13(25)5-10(23)6-14(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18+,19-,21-/m1/s1",KGHFAKPGOXLHAB,RCLSDMTESA,O,Peonidin 3-xyloside,KGHFAKPGOXLHAB-RCLSDMTESA-O
HMDB41768,450.116211546,C21H22O11,O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H22O11/c22-10-4-1-9(2-5-10)3-6-12(24)15-13(25)7-11(23)8-14(15)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h1-2,4-5,7-8,16-19,21-23,25-28H,3,6H2,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",YFJJAJIWPWXWJJ,ZFORQUDYSA,N,Phloretin 2'-O-glucuronide,YFJJAJIWPWXWJJ-ZFORQUDYSA-N
HMDB41769,478.074740662,C21H18O13,O[C@@H]1[C@@H](O)[C@H](OC2=CC(=CC=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1",LBJLXDMWOKJIPQ,JENRNSKYSA,N,Quercetin 3'-O-glucuronide,LBJLXDMWOKJIPQ-JENRNSKYSA-N
HMDB41770,381.99946723,C15H10O10S,OC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OS(O)(=O)=O)=C(O)C=C1,"InChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)",OSCLBBUATYLBQA,UHFFFAOYSA,N,Quercetin 3'-sulfate,OSCLBBUATYLBQA-UHFFFAOYSA-N
HMDB41771,772.206208342,C33H40O21,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C33H40O21/c1-9-28(53-32-25(45)22(42)19(39)16(7-34)51-32)24(44)27(47)31(49-9)48-8-17-20(40)23(43)26(46)33(52-17)54-30-21(41)18-14(38)5-11(35)6-15(18)50-29(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-20,22-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19+,20+,22-,23-,24-,25+,26+,27+,28-,31+,32-,33-/m0/s1",MQXXKEBHYDWCDM,UIGCYNSSSA,N,Quercetin 3-O-glucosyl-rutinoside,MQXXKEBHYDWCDM-UIGCYNSSSA-N
HMDB41772,308.035458806,C14H12O6S,OC1=CC=C(\C=C\C2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1,"InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+",DULQFFCIVGYOFH,OWOJBTEDSA,N,Resveratrol 3-sulfate,DULQFFCIVGYOFH-OWOJBTEDSA-N
HMDB41773,340.058302738,C18H12O7,OC(=O)C1CC2=C3C(OC4=C(O)C(O)=CC=C4C=C3C1=O)=C(O)C=C2,"InChI=1S/C18H12O7/c19-11-3-2-8-6-9-13-7(5-10(14(9)21)18(23)24)1-4-12(20)17(13)25-16(8)15(11)22/h1-4,6,10,19-20,22H,5H2,(H,23,24)",AMPDZVASNOBSQZ,UHFFFAOYSA,N,Salvianolic acid D,AMPDZVASNOBSQZ-UHFFFAOYSA-N
HMDB41774,418.089996796,C20H18O10,OC(=O)CC1=C(O)C(O)=CC=C1\C=C\C(=O)OC(CC1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29)/b6-3+",KFCMFABBVSIHTB,ZZXKWVIFSA,N,Salvianolic acid G,KFCMFABBVSIHTB-ZZXKWVIFSA-N
HMDB41775,830.248073156,C36H46O22,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C=C4OCOC4=C3)[C@@H]3CO[C@@H](CO3)C3=CC=C4OCOC4=C3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C36H46O22/c37-6-20-25(39)28(42)31(45)34(55-20)49-10-24-27(41)30(44)33(58-35-32(46)29(43)26(40)21(7-38)56-35)36(57-24)54-16-5-19-18(52-12-53-19)4-14(16)23-9-47-22(8-48-23)13-1-2-15-17(3-13)51-11-50-15/h1-5,20-46H,6-12H2/t20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-/m1/s1",KKJBZOSTUMQZAI,VTBBPSJISA,N,Sesaminol 2-O-triglucoside,KKJBZOSTUMQZAI-VTBBPSJISA-N
HMDB41776,284.068473494,C16H12O5,COC1=C(O)C=C2C(OC(=O)C=C2C2=CC(O)=CC=C2)=C1,"InChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-3-2-4-10(17)5-9/h2-8,17-18H,1H3",MYVNFPJTNYAPDH,UHFFFAOYSA,N,Stevenin,MYVNFPJTNYAPDH-UHFFFAOYSA-N
HMDB41777,380.020202672,C16H12O9S,COC1=C(O)C=C2OC=C(C(=O)C2=C1O)C1=CC=C(OS(O)(=O)=O)C=C1,"InChI=1S/C16H12O9S/c1-23-16-11(17)6-12-13(15(16)19)14(18)10(7-24-12)8-2-4-9(5-3-8)25-26(20,21)22/h2-7,17,19H,1H3,(H,20,21,22)",YCLRZPRGSLQMFZ,UHFFFAOYSA,N,Tectorigenin 4'-sulfate,YCLRZPRGSLQMFZ-UHFFFAOYSA-N
HMDB41778,380.020202672,C16H12O9S,COC1=C(OS(O)(=O)=O)C=C2OC=C(C(=O)C2=C1O)C1=CC=C(O)C=C1,"InChI=1S/C16H12O9S/c1-23-16-12(25-26(20,21)22)6-11-13(15(16)19)14(18)10(7-24-11)8-2-4-9(17)5-3-8/h2-7,17,19H,1H3,(H,20,21,22)",KUJUUJDSDSCNMZ,UHFFFAOYSA,N,Tectorigenin 7-sulfate,KUJUUJDSDSCNMZ-UHFFFAOYSA-N
HMDB41779,500.241018128,C28H36O8,[H][C@]1(C)CC2=C(C(OC\C(=C\C)C=O)=C(OC)C(OC)=C2)C2=C(C[C@]1(C)O)C=C(OC)C(OC)=C2OC,"InChI=1S/C28H36O8/c1-9-17(14-29)15-36-27-22-18(11-20(31-4)25(27)34-7)10-16(2)28(3,30)13-19-12-21(32-5)24(33-6)26(35-8)23(19)22/h9,11-12,14,16,30H,10,13,15H2,1-8H3/b17-9+/t16-,28-/m0/s1",HKGBQWCXKLHIBG,RIAVWIIHSA,N,Tigloylgomicin H,HKGBQWCXKLHIBG-RIAVWIIHSA-N
HMDB41780,387.992273362,C14H12O9S2,OC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=C1,"InChI=1S/C14H12O9S2/c15-12-7-11(8-14(9-12)23-25(19,20)21)2-1-10-3-5-13(6-4-10)22-24(16,17)18/h1-9,15H,(H,16,17,18)(H,19,20,21)/b2-1+",DHYDAGFKCXRMSL,OWOJBTEDSA,N,"trans-Resveratrol 3,4'-disulfate",DHYDAGFKCXRMSL-OWOJBTEDSA-N
HMDB41781,387.992273362,C14H12O9S2,OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1,"InChI=1S/C14H12O9S2/c15-12-5-3-10(4-6-12)1-2-11-7-13(22-24(16,17)18)9-14(8-11)23-25(19,20)21/h1-9,15H,(H,16,17,18)(H,19,20,21)/b2-1+",AUJFEUYHBMJMOQ,OWOJBTEDSA,N,"trans-Resveratrol 3,5-disulfate",AUJFEUYHBMJMOQ-OWOJBTEDSA-N
HMDB41782,404.110732238,C20H20O9,O[C@H]1[C@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1",QWSAYEBSTMCFKY,OTPOQTMVSA,N,trans-Resveratrol 3-O-glucuronide,QWSAYEBSTMCFKY-OTPOQTMVSA-N
HMDB41783,404.110732238,C20H20O9,O[C@H]1[C@H](OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1",CDEBVTGYVFHDMA,OTPOQTMVSA,N,trans-Resveratrol 4'-O-glucuronide,CDEBVTGYVFHDMA-OTPOQTMVSA-N
HMDB41784,308.035458806,C14H12O6S,OC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1,"InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+",KOTTWDFKZULRPN,OWOJBTEDSA,N,trans-Resveratrol 4'-sulfate,KOTTWDFKZULRPN-OWOJBTEDSA-N
HMDB41785,218.02489412,C8H10O5S,OCCC1=CC=C(OS(O)(=O)=O)C=C1,"InChI=1S/C8H10O5S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4,9H,5-6H2,(H,10,11,12)",VCRXMIQBQGCAAL,UHFFFAOYSA,N,Tyrosol 4-sulfate,VCRXMIQBQGCAAL-UHFFFAOYSA-N
HMDB41786,580.10643472,C25H24O16,O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=C(C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2)C(=O)O3)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C25H24O16/c26-13-15(28)19(21(32)33)40-24(17(13)30)37-7-1-3-9-10-4-2-8(6-12(10)39-23(36)11(9)5-7)38-25-18(31)14(27)16(29)20(41-25)22(34)35/h1-6,13-20,24-31H,(H,32,33)(H,34,35)/t13-,14-,15-,16-,17+,18+,19-,20-,24+,25+/m0/s1",SXMJSEFKPOZNAT,ILJCXFEASA,N,"Urolithin A 3,8-O-diglucuronide",SXMJSEFKPOZNAT-ILJCXFEASA-N
HMDB41787,388.07943211,C19H16O9,O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=C(C=CC=C2)C(=O)O3)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C19H16O9/c20-13-14(21)16(17(23)24)28-19(15(13)22)26-8-5-6-10-9-3-1-2-4-11(9)18(25)27-12(10)7-8/h1-7,13-16,19-22H,(H,23,24)/t13-,14-,15+,16-,19+/m0/s1",MHBWCULXQBVPQT,KSPMYQCISA,N,Urolithin B 3-O-glucuronide,MHBWCULXQBVPQT-KSPMYQCISA-N
HMDB41788,247.9990733,C8H8O7S,COC1=C(OS(O)(=O)=O)C=CC(=C1)C(O)=O,"InChI=1S/C8H8O7S/c1-14-7-4-5(8(9)10)2-3-6(7)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)",TXRKUXPAEPOCIX,UHFFFAOYSA,N,Vanillic acid 4-sulfate,TXRKUXPAEPOCIX-UHFFFAOYSA-N
HMDB41789,232.004158678,C8H8O6S,COC1=C(OS(O)(=O)=O)C=CC(C=O)=C1,"InChI=1S/C8H8O6S/c1-13-8-4-6(5-9)2-3-7(8)14-15(10,11)12/h2-5H,1H3,(H,10,11,12)",OUIKMDRGUNIXSP,UHFFFAOYSA,N,Vanillin 4-sulfate,OUIKMDRGUNIXSP-UHFFFAOYSA-N
HMDB41790,316.094688244,C17H16O6,COC1=C(C=CC(CO)=C1O)C1COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C17H16O6/c1-22-17-11(4-2-9(7-18)15(17)20)13-8-23-14-6-10(19)3-5-12(14)16(13)21/h2-6,13,18-20H,7-8H2,1H3",NAOWONDUKAFFFO,UHFFFAOYSA,N,Violanone,NAOWONDUKAFFFO-UHFFFAOYSA-N
HMDB41791,131.930033217,C2H3Cl3,CC(Cl)(Cl)Cl,"InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3",UOCLXMDMGBRAIB,UHFFFAOYSA,N,"1,1,1-Trichloroethane",UOCLXMDMGBRAIB-UHFFFAOYSA-N
HMDB41792,54.046950192,C4H6,C=CC=C,"InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2",KAKZBPTYRLMSJV,UHFFFAOYSA,N,"1,3-Butadiene",KAKZBPTYRLMSJV-UHFFFAOYSA-N
HMDB41793,217.089149357,C16H11N,NC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4,"InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2",YZVWKHVRBDQPMQ,UHFFFAOYSA,N,1-Aminopyrene,YZVWKHVRBDQPMQ-UHFFFAOYSA-N
HMDB41795,346.178023942,C20H26O5,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])[C@@]([H])(O)C[C@]12C=O)C(=O)CO,"InChI=1S/C20H26O5/c21-9-18(25)16-6-5-15-14-3-1-11-7-12(23)2-4-13(11)19(14)17(24)8-20(15,16)10-22/h7,10,13-17,19,21,24H,1-6,8-9H2/t13-,14-,15-,16+,17-,19+,20+/m0/s1",BIDXSZCVYXAGCG,CRGXURCLSA,N,19-Noraldosterone,BIDXSZCVYXAGCG-CRGXURCLSA-N
HMDB41796,147.924947839,C2H3Cl3O,OCC(Cl)(Cl)Cl,"InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2",KPWDGTGXUYRARH,UHFFFAOYSA,N,"2,2,2-Trichloroethanol",KPWDGTGXUYRARH-UHFFFAOYSA-N
HMDB41797,219.969399472,C8H6Cl2O3,OC(=O)COC1=C(Cl)C=C(Cl)C=C1,"InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)",OVSKIKFHRZPJSS,UHFFFAOYSA,N,"2,4-Dichlorophenoxyacetic acid",OVSKIKFHRZPJSS-UHFFFAOYSA-N
HMDB41799,122.08439833,C7H10N2,CC1=C(N)C=C(N)C=C1,"InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3",VOZKAJLKRJDJLL,UHFFFAOYSA,N,"2,4-Toluenediamine",VOZKAJLKRJDJLL-UHFFFAOYSA-N
HMDB41800,161.963920164,C6H4Cl2O,OC1=C(Cl)C=CC(Cl)=C1,"InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H",RANCECPPZPIPNO,UHFFFAOYSA,N,"2,5-Dichlorophenol",RANCECPPZPIPNO-UHFFFAOYSA-N
HMDB41801,122.08439833,C7H10N2,CC1=C(N)C=CC=C1N,"InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3",RLYCRLGLCUXUPO,UHFFFAOYSA,N,"2,6-Toluenediamine",RLYCRLGLCUXUPO-UHFFFAOYSA-N
HMDB41802,143.073499293,C10H9N,NC1=CC2=CC=CC=C2C=C1,"InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2",JBIJLHTVPXGSAM,UHFFFAOYSA,N,2-Aminonaphthalene,JBIJLHTVPXGSAM-UHFFFAOYSA-N
HMDB41803,277.183049741,C20H23N,CC=C1N(C)C(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3",AJRJPORIQGYFMT,UHFFFAOYSA,N,"2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine",AJRJPORIQGYFMT-UHFFFAOYSA-N
HMDB41804,152.083729628,C9H12O2,CC(C)OC1=CC=CC=C1O,"InChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3",ZNCUUYCDKVNVJH,UHFFFAOYSA,N,2-Isopropoxyphenol,ZNCUUYCDKVNVJH-UHFFFAOYSA-N
HMDB41805,162.976169789,C4H5NO2S2,[H][C@]1(CSC(S)=N1)C(O)=O,"InChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1",SQUOCHQOQMZGQP,REOHCLBHSA,N,2-Thiothiazolidine-4-carboxylic acid,SQUOCHQOQMZGQP-REOHCLBHSA-N
HMDB41806,181.110278729,C10H15NO2,COC1=C(OC)C=C(CCN)C=C1,"InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3",ANOUKFYBOAKOIR,UHFFFAOYSA,N,"3,4-Dimethoxyphenylethylamine",ANOUKFYBOAKOIR-UHFFFAOYSA-N
HMDB41807,214.062994186,C13H10O3,OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1,"InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)",NXTDJHZGHOFSQG,UHFFFAOYSA,N,3-Phenoxybenzoic acid,NXTDJHZGHOFSQG-UHFFFAOYSA-N
HMDB41808,198.115698458,C13H14N2,NC1=CC=C(CC2=CC=C(N)C=C2)C=C1,"InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2",YBRVSVVVWCFQMG,UHFFFAOYSA,N,"4,4'-Methylenedianiline",YBRVSVVVWCFQMG-UHFFFAOYSA-N
HMDB41809,209.116426739,C10H15N3O2,CN(CCCC(O)C1=CN=CC=C1)N=O,"InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3",OGRXKBUCZFFSTL,UHFFFAOYSA,N,4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol,OGRXKBUCZFFSTL-UHFFFAOYSA-N
HMDB41810,143.997807111,C6H5ClO2,OC1=C(O)C=C(Cl)C=C1,"InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H",WWOBYPKUYODHDG,UHFFFAOYSA,N,4-Chlorocatechol,WWOBYPKUYODHDG-UHFFFAOYSA-N
HMDB41812,327.147058165,C19H21NO4,CN1CCC23C4OC5=C(O)C=CC(CC1C2C=CC4OC(C)=O)=C35,"InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3",JJGYGPZNTOPXGV,UHFFFAOYSA,N,6-Acetylmorphine,JJGYGPZNTOPXGV-UHFFFAOYSA-N
HMDB41813,338.055715919,C16H15ClO6,COC1=C2C(=O)C3(OC2=C(Cl)C(O)=C1)C(C)CC(=O)C=C3OC,"InChI=1S/C16H15ClO6/c1-7-4-8(18)5-11(22-3)16(7)15(20)12-10(21-2)6-9(19)13(17)14(12)23-16/h5-7,19H,4H2,1-3H3",SYNGDIBHUPXIQA,UHFFFAOYSA,N,6-Demethylgriseofulvin,SYNGDIBHUPXIQA-UHFFFAOYSA-N
HMDB41815,328.072906944,C13H16N2O6S,COC1=C(OS(O)(=O)=O)C=C2NC=C(CCN=C(C)O)C2=C1,"InChI=1S/C13H16N2O6S/c1-8(16)14-4-3-9-7-15-11-6-13(21-22(17,18)19)12(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,16)(H,17,18,19)",QQEILXDLZRLTME,UHFFFAOYSA,N,6-Sulfatoxymelatonin,QQEILXDLZRLTME-UHFFFAOYSA-N
HMDB41817,285.066889728,C15H12ClN3O,NC1=CC2=C(C=C1)N=C(O)CN=C2C1=CC=CC=C1Cl,"InChI=1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)",HEFRPWRJTGLSSV,UHFFFAOYSA,N,7-Aminoclonazepam,HEFRPWRJTGLSSV-UHFFFAOYSA-N
HMDB41818,283.11209029,C16H14FN3O,CN1C2=C(C=C(N)C=C2)C(=NCC1=O)C1=CC=CC=C1F,"InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3",LTCDLGUFORGHGY,UHFFFAOYSA,N,7-Aminoflunitrazepam,LTCDLGUFORGHGY-UHFFFAOYSA-N
HMDB41819,251.105862053,C15H13N3O,NC1=CC2=C(C=C1)N=C(O)CN=C2C1=CC=CC=C1,"InChI=1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)",OYOUQHVDCKOOAL,UHFFFAOYSA,N,7-Aminonitrazepam,OYOUQHVDCKOOAL-UHFFFAOYSA-N
HMDB41820,165.028674365,C5H3N5O2,OC1=NC(=N)N=C2NC(=O)N=C12,"InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)",UBKVUFQGVWHZIR,UHFFFAOYSA,N,8-Oxoguanine,UBKVUFQGVWHZIR-UHFFFAOYSA-N
HMDB41821,179.069476547,C8H9N3O2,CC(O)=NNC(=O)C1=CC=NC=C1,"InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13)",CVBGNAKQQUWBQV,UHFFFAOYSA,N,Acetylisoniazid,CVBGNAKQQUWBQV-UHFFFAOYSA-N
HMDB41822,56.02621475,C3H4O,C=CC=O,"InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2",HGINCPLSRVDWNT,UHFFFAOYSA,N,Acrolein,HGINCPLSRVDWNT-UHFFFAOYSA-N
HMDB41824,320.162373878,C18H24O5,C[C@H]1CCC[C@H](O)CCC\C=C\C2=CC(O)=CC(O)=C2C(=O)O1,"InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1",FPQFYIAXQDXNOR,QDKLYSGJSA,N,alpha-Zearalenol,FPQFYIAXQDXNOR-QDKLYSGJSA-N
HMDB41826,334.144118699,C16H19FN4O3,CNN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1,"InChI=1S/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)",RUXPNBWPIRDVTH,UHFFFAOYSA,N,Amifloxacin,RUXPNBWPIRDVTH-UHFFFAOYSA-N
HMDB41827,18.034374133,H4N,[NH4+],InChI=1S/H3N/h1H3/p+1,QGZKDVFQNNGYKY,UHFFFAOYSA,O,Ammonium,QGZKDVFQNNGYKY-UHFFFAOYSA-O
HMDB41830,215.09377318,C8H14ClN5,CCNC1=NC(Cl)=NC(NC(C)C)=N1,"InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)",MXWJVTOOROXGIU,UHFFFAOYSA,N,Atrazine,MXWJVTOOROXGIU-UHFFFAOYSA-N
HMDB41831,370.007342713,C12H11ClN6O2S2,NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CS2)C(=C1)C1=NNN=N1,"InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)",HMEDEBAJARCKCT,UHFFFAOYSA,N,Azosemide,HMEDEBAJARCKCT-UHFFFAOYSA-N
HMDB41832,446.084911418,C21H18O11,O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21-/m0/s1",IKIIZLYTISPENI,UNJWAJPSSA,N,Baicalin,IKIIZLYTISPENI-UNJWAJPSSA-N
HMDB41833,128.022192004,C4H4N2O3,OC1=NC(=O)N=C(O)C1,"InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)",HNYOPLTXPVRDBG,UHFFFAOYSA,N,Barbituric acid,HNYOPLTXPVRDBG-UHFFFAOYSA-N
HMDB41834,421.915319544,C17H12Br2O3,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1,"InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3",WHQCHUCQKNIQEC,UHFFFAOYSA,N,Benzbromarone,WHQCHUCQKNIQEC-UHFFFAOYSA-N
HMDB41835,184.100048394,C12H12N2,NC1=CC=C(C=C1)C1=CC=C(N)C=C1,"InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2",HFACYLZERDEVSX,UHFFFAOYSA,N,Benzidine,HFACYLZERDEVSX-UHFFFAOYSA-N
HMDB41836,289.131408101,C16H19NO4,[H][C@@]1(CC2CCC([C@@H]1C(O)=O)N2C)OC(=O)C1=CC=CC=C1,"InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14-/m0/s1",GVGYEFKIHJTNQZ,HOAMVYINSA,N,Benzoyl ecgonine,GVGYEFKIHJTNQZ-HOAMVYINSA-N
HMDB41837,371.092435776,C20H18ClNO4,[Cl-].COC1=C(OC)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3,"InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1",VKJGBAJNNALVAV,UHFFFAOYSA,M,Berberine chloride,VKJGBAJNNALVAV-UHFFFAOYSA-M
HMDB41838,320.162373878,C18H24O5,C[C@@H]1CCC[C@H](O)CCC\C=C\C2=CC(O)=CC(O)=C2C(=O)O1,"InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m1/s1",FPQFYIAXQDXNOR,SXIUOJOQSA,N,beta-Zearalenol,FPQFYIAXQDXNOR-SXIUOJOQSA-N
HMDB41842,204.126263144,C12H16N2O,CN(C)CCC1=CNC2=C1C=C(O)C=C2,"InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3",VTTONGPRPXSUTJ,UHFFFAOYSA,N,Bufotenin,VTTONGPRPXSUTJ-UHFFFAOYSA-N
HMDB41844,132.07864425,C6H12O3,CCCCOCC(O)=O,"InChI=1S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8)",AJQOASGWDCBKCJ,UHFFFAOYSA,N,Butoxyacetic acid,AJQOASGWDCBKCJ-UHFFFAOYSA-N
HMDB41845,283.164439563,C12H21N5O3,CCOC(O)=NNC1=NN=C(C=C1)N(CC)CC(C)O,"InChI=1S/C12H21N5O3/c1-4-17(8-9(3)18)11-7-6-10(13-15-11)14-16-12(19)20-5-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,13,14)(H,16,19)",QLTVVOATEHFXLT,UHFFFAOYSA,N,Cadralazine,QLTVVOATEHFXLT-UHFFFAOYSA-N
HMDB41849,300.077992322,C12H16N2O5S,CCCCN=C(O)NS(=O)(=O)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C12H16N2O5S/c1-2-3-8-13-12(17)14-20(18,19)10-6-4-9(5-7-10)11(15)16/h4-7H,2-3,8H2,1H3,(H,15,16)(H2,13,14,17)",GCMVATDSSHTCOS,UHFFFAOYSA,N,Carboxytolbutamide,GCMVATDSSHTCOS-UHFFFAOYSA-N
HMDB41850,584.027629784,C20H20N6O7S4,[H][C@]12SCC(CSC3=NC(C)=C(CC(O)=O)S3)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C(O)=O,"InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1",XDZKBRJLTGRPSS,BGZQYGJUSA,N,Cefodizime,XDZKBRJLTGRPSS-BGZQYGJUSA-N
HMDB41851,670.115182462,C28H26N6O10S2,[H][C@](N=C(O)C1=C(NC=N1)C(O)=O)(C(O)=N[C@]1([H])C(=O)N2C(C(O)=O)=C(C[N+]3=CC=C(CCS([O-])(=O)=O)C=C3)CS[C@]12[H])C1=CC=CC=C1,"InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1",LNZMRLHZGOBKAN,KAWPREARSA,N,Cefpimizole,LNZMRLHZGOBKAN-KAWPREARSA-N
HMDB41852,514.109309224,C22H22N6O5S2,[H][C@]12SCC(C[N+]3=CC=CC4=C3CCC4)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C([O-])=O,"InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1",DKOQGJHPHLTOJR,WHRDSVKCSA,N,Cefpirome,DKOQGJHPHLTOJR-WHRDSVKCSA-N
HMDB41855,112.007977867,C6H5Cl,ClC1=CC=CC=C1,InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H,MVPPADPHJFYWMZ,UHFFFAOYSA,N,Chlorobenzene,MVPPADPHJFYWMZ-UHFFFAOYSA-N
HMDB41856,348.926283546,C9H11Cl3NO3PS,CCOP(=S)(OCC)OC1=C(Cl)C=C(Cl)C(Cl)=N1,"InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3",SBPBAQFWLVIOKP,UHFFFAOYSA,N,Chlorpyrifos,SBPBAQFWLVIOKP-UHFFFAOYSA-N
HMDB41857,250.084123558,C13H14O5,[H][C@]1(C)OC=C2C(O)=C(C(O)=O)C(=O)C(C)=C2[C@]1([H])C,"InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1",CQIUKKVOEOPUDV,IYSWYEEDSA,N,Citrinin,CQIUKKVOEOPUDV-IYSWYEEDSA-N
HMDB41858,259.112777288,C16H18ClN,CC(CC1=CC=CC=C1)NCC1=CC=CC=C1Cl,"InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3",LRXXRIXDSAEIOR,UHFFFAOYSA,N,Clobenzorex,LRXXRIXDSAEIOR-UHFFFAOYSA-N
HMDB41860,317.162708229,C18H23NO4,CCOC(=O)C1C2CCC(CC1OC(=O)C1=CC=CC=C1)N2C,"InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3",NMPOSNRHZIWLLL,UHFFFAOYSA,N,Cocaethylene,NMPOSNRHZIWLLL-UHFFFAOYSA-N
HMDB41861,129.017440977,C3H3N3O3,OC1=NC(O)=NC(O)=N1,"InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)",ZFSLODLOARCGLH,UHFFFAOYSA,N,Cyanuric acid,ZFSLODLOARCGLH-UHFFFAOYSA-N
HMDB41862,192.02700261,C6H8O7,[H][C@@](O)(C(O)=O)[C@@]1([H])OC(=O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1",XECPAIJNBXCOBO,MMPJQOAZSA,N,"D-Glucaro-1,4-lactone",XECPAIJNBXCOBO-MMPJQOAZSA-N
HMDB41865,314.224580204,C21H30O2,CCCCCC1=CC(O)=C2C3C=C(C)CCC3C(C)(C)OC2=C1,"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3",CYQFCXCEBYINGO,UHFFFAOYSA,N,delta9-Tetrahydrocannabinol,CYQFCXCEBYINGO-UHFFFAOYSA-N
HMDB41866,502.973168773,C22H19Br2NO3,[H][C@@](OC(=O)[C@]1([H])[C@]([H])(C=C(Br)Br)C1(C)C)(C#N)C1=CC(OC2=CC=CC=C2)=CC=C1,"InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1",OWZREIFADZCYQD,NSHGMRRFSA,N,Deltamethrin,OWZREIFADZCYQD-NSHGMRRFSA-N
HMDB41867,286.050905313,C15H11ClN2O2,OC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=N(=O)C1,"InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8H,9H2,(H,17,19)",GGRWZBVSUZZMKS,UHFFFAOYSA,N,Demoxepam,GGRWZBVSUZZMKS-UHFFFAOYSA-N
HMDB41868,413.046374617,C14H15N5O6S2,[H][C@]12SCC(CO)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C(O)=O,"InChI=1S/C14H15N5O6S2/c1-25-18-7(6-4-27-14(15)16-6)10(21)17-8-11(22)19-9(13(23)24)5(2-20)3-26-12(8)19/h4,8,12,20H,2-3H2,1H3,(H2,15,16)(H,17,21)(H,23,24)/b18-7-/t8-,12-/m1/s1",FHYWAOQGXIZAAF,GHXIOONMSA,N,Desacetylcefotaxime,FHYWAOQGXIZAAF-GHXIOONMSA-N
HMDB41870,291.150225426,C16H22ClN3,CCNCCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1,"InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)",MCYUUUTUAAGOOT,UHFFFAOYSA,N,Desethylchloroquine,MCYUUUTUAAGOOT-UHFFFAOYSA-N
HMDB41872,186.115698458,C12H14N2,CC1=C(C)C(CC2=CN=CN2)=CC=C1,"InChI=1S/C12H14N2/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,13,14)",RHDJRPPFURBGLQ,UHFFFAOYSA,N,Detomidine,RHDJRPPFURBGLQ-UHFFFAOYSA-N
HMDB41873,254.094294314,C16H14O3,[H][C@@](C)(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1",DKYWVDODHFEZIM,NSHDSACASA,N,Dexketoprofen,DKYWVDODHFEZIM-NSHDSACASA-N
HMDB41876,358.190231702,C14H32Cl2N4O2,Cl.Cl.CC(O)=NCCCNCCCCNCCCN=C(C)O,"InChI=1S/C14H30N4O2.2ClH/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20;;/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20);2*1H",NQNXERHVLXYXRO,UHFFFAOYSA,N,Diacetylspermine,NQNXERHVLXYXRO-UHFFFAOYSA-N
HMDB41878,73.089149357,C4H11N,CCNCC,"InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3",HPNMFZURTQLUMO,UHFFFAOYSA,N,Diethylamine,HPNMFZURTQLUMO-UHFFFAOYSA-N
HMDB41879,782.44525682,C41H66O14,CC1OC(CC(O)C1O)OC1C(O)CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(CCC54O)C4COC(=O)C4)C3)OC2C)OC1C,"InChI=1S/C41H66O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h19-31,33-38,42-45,47-48H,6-18H2,1-5H3",QYVJGQUFXQMOOE,UHFFFAOYSA,N,Dihydrodigoxin,QYVJGQUFXQMOOE-UHFFFAOYSA-N
HMDB41880,163.136099549,C11H17N,CC(CC1=CC=CC=C1)N(C)C,"InChI=1S/C11H17N/c1-10(12(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3",OBDSVYOSYSKVMX,UHFFFAOYSA,N,Dimethylamphetamine,OBDSVYOSYSKVMX-UHFFFAOYSA-N
HMDB41882,356.246378278,C22H32N2O2,OC1=C(O)C=C(CCNCCCCCCNCCC2=CC=CC=C2)C=C1,"InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2",RYBJORHCUPVNMB,UHFFFAOYSA,N,Dopexamine,RYBJORHCUPVNMB-UHFFFAOYSA-N
HMDB41883,420.1137259,C15H24N4O6S2,[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,"InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1",AVAACINZEOAHHE,VFZPANTDSA,N,Doripenem,AVAACINZEOAHHE-VFZPANTDSA-N
HMDB41884,545.189710839,C27H31NO11,COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C3=C1O)[C@@H](O)CO)C2=O,"InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,16-,17-,22+,27-/m0/s1",NKZRZOVSJNSBFR,FEMMEMONSA,N,Doxorubicinol,NKZRZOVSJNSBFR-FEMMEMONSA-N
HMDB41885,475.975848535,C14H17BrN6O2S3,NC(=N)NC1=NC(CSCCN=CNS(=O)(=O)C2=CC=C(Br)C=C2)=CS1,"InChI=1S/C14H17BrN6O2S3/c15-10-1-3-12(4-2-10)26(22,23)19-9-18-5-6-24-7-11-8-25-14(20-11)21-13(16)17/h1-4,8-9H,5-7H2,(H,18,19)(H4,16,17,20,21)",ZQHFZHPUZXNPMF,UHFFFAOYSA,N,Ebrotidine,ZQHFZHPUZXNPMF-UHFFFAOYSA-N
HMDB41886,348.168521888,C18H24N2O5,[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@@]1([H])C(O)=O,"InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1",LZFZMUMEGBBDTC,QEJZJMRPSA,N,Enalaprilat,LZFZMUMEGBBDTC-QEJZJMRPSA-N
HMDB41887,229.08626947,C9H12FN3O3,OCC1CCC(O1)N1C=C(F)C(=N)N=C1O,"InChI=1S/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)",QBEIABZPRBJOFU,UHFFFAOYSA,N,Endalin,QBEIABZPRBJOFU-UHFFFAOYSA-N
HMDB41888,167.094628665,C9H13NO2,CNCCC1=CC(O)=C(O)C=C1,"InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3",NGKZFDYBISXGGS,UHFFFAOYSA,N,Epinine,NGKZFDYBISXGGS-UHFFFAOYSA-N
HMDB41889,279.169524941,C13H21N5O2,CCN(CC)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C,"InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3",AWKLBIOQCIORSB,UHFFFAOYSA,N,Etamiphylline,AWKLBIOQCIORSB-UHFFFAOYSA-N
HMDB41890,342.070594897,C17H15ClN4S,CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl,"InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3",VMZUTJCNQWMAGF,UHFFFAOYSA,N,Etizolam,VMZUTJCNQWMAGF-UHFFFAOYSA-N
HMDB41891,377.246712629,C24H31N3O,CC(C)C1=C(CN(C)C(C)CC2=CC=CC=C2)N(C)N(C1=O)C1=CC=CC=C1,"InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3",GNUXVOXXWGNPIV,UHFFFAOYSA,N,Famprofazone,GNUXVOXXWGNPIV-UHFFFAOYSA-N
HMDB41892,285.067093285,C12H15NO5S,[H][C@]12SC([C@H]3CCCO3)=C(N1C(=O)[C@@H]2[C@@H](C)O)C(O)=O,"InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1",HGGAKXAHAYOLDJ,FHZUQPTBSA,N,Faropenem,HGGAKXAHAYOLDJ-FHZUQPTBSA-N
HMDB41893,277.017379701,C9H12NO5PS,COP(=S)(OC)OC1=CC=C(C(C)=C1)N(=O)=O,"InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3",ZNOLGFHPUIJIMJ,UHFFFAOYSA,N,Fenitrothion,ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
HMDB41894,653.259744201,C27H45FeN6O9,[Fe+3].OC1=NCCCCCN([O-])C(=O)CCC(O)=NCCCCCN([O-])C(=O)CCC(O)=NCCCCCN([O-])C(=O)CC1,"InChI=1S/C27H45N6O9.Fe/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22;/h1-21H2,(H,28,34)(H,29,35)(H,30,36);/q-3;+3",MZFKJKOHYACYNT,UHFFFAOYSA,N,Ferrioxamine,MZFKJKOHYACYNT-UHFFFAOYSA-N
HMDB41895,261.08012146,C14H12FNO3,CC1CCC2=CC(F)=CC3=C2N1C=C(C(O)=O)C3=O,"InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)",DPSPPJIUMHPXMA,UHFFFAOYSA,N,Flumequine,DPSPPJIUMHPXMA-UHFFFAOYSA-N
HMDB41899,157.924100533,Gd,[Gd],InChI=1S/Gd,UIWYJDYFSGRHKR,UHFFFAOYSA,N,Gadolinium,UIWYJDYFSGRHKR-UHFFFAOYSA-N
HMDB41900,191.042987025,C6H9NO6,NC(CC(C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)",UHBYWPGGCSDKFX,UHFFFAOYSA,N,gamma-Carboxyglutamic acid,UHBYWPGGCSDKFX-UHFFFAOYSA-N
HMDB41901,200.152477894,C10H20N2O2,CC(O)=NCCCCCCN=C(C)O,"InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)",BNQSTAOJRULKNX,UHFFFAOYSA,N,Hexamethylene bisacetamide,BNQSTAOJRULKNX-UHFFFAOYSA-N
HMDB41905,268.08479226,C15H12N2O3,OC1=NC(C(O)=N1)(C1=CC=CC=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)",XEEDURHPFVXALT,UHFFFAOYSA,N,4-Hydroxyphenytoin,XEEDURHPFVXALT-UHFFFAOYSA-N
HMDB41906,307.178358293,C17H25NO4,CNCCC1=CC(OC(=O)C(C)C)=C(OC(=O)C(C)C)C=C1,"InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3",WDKXLLJDNUBYCY,UHFFFAOYSA,N,Ibopamine,WDKXLLJDNUBYCY-UHFFFAOYSA-N
HMDB41907,405.189985611,C20H27N3O6,[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(=O)OCC)C(=O)N1C(=O)N(C)C[C@@]1([H])C(O)=O,"InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1",KLZWOWYOHUKJIG,BPUTZDHNSA,N,Imidapril,KLZWOWYOHUKJIG-BPUTZDHNSA-N
HMDB41908,377.158685483,C18H23N3O6,[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1C(=O)N(C)C[C@@]1([H])C(O)=O,"InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1",VFAVNRVDTAPBNR,UBHSHLNASA,N,Imidaprilat,VFAVNRVDTAPBNR-UBHSHLNASA-N
HMDB41909,834.895959769,C20H28I3N3O9,COCC(O)CN(C(C)=O)C1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(O)=NCC(O)CO)=C1I,"InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)",IUNJANQVIJDFTQ,UHFFFAOYSA,N,Iopentol,IUNJANQVIJDFTQ-UHFFFAOYSA-N
HMDB41910,790.869745019,C18H24I3N3O8,COCC(O)=NC1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(=O)N(C)CC(O)CO)=C1I,"InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)",DGAIEPBNLOQYER,UHFFFAOYSA,N,Iopromide,DGAIEPBNLOQYER-UHFFFAOYSA-N
HMDB41911,569.290821865,C22H43N5O12,CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2N=C(O)[C@@H](O)CN)OC[C@]1(C)O,"InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1",UDIIBEDMEYAVNG,ZKFPOVNWSA,N,Isepamicin,UDIIBEDMEYAVNG-ZKFPOVNWSA-N
HMDB41912,180.053492132,C8H8N2O3,OC(=O)CNC(=O)C1=CC=NC=C1,"InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-1-3-9-4-2-6/h1-4H,5H2,(H,10,13)(H,11,12)",HKCLSDCBERVTCT,UHFFFAOYSA,N,Isonicotinylglycine,HKCLSDCBERVTCT-UHFFFAOYSA-N
HMDB41913,247.157228921,C15H21NO2,CCC(=O)C1(CCN(C)CC1)C1=CC(O)=CC=C1,"InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3",ALFGKMXHOUSVAD,UHFFFAOYSA,N,Ketobemidone,ALFGKMXHOUSVAD-UHFFFAOYSA-N
HMDB41914,322.131742452,C19H18N2O3,CC(=O)CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3",LGYTZKPVOAIUKX,UHFFFAOYSA,N,Ketophenylbutazone,LGYTZKPVOAIUKX-UHFFFAOYSA-N
HMDB41916,1208.645462232,C59H84N16O12,CCN=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](CC(C)C)N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CO)N=C(O)[C@H](CC1=CNC2=CC=CC=C12)N=C(O)[C@H](CC1=CN=CN1)N=C(O)[C@@H]1CCC(O)=N1,"InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1",GFIJNRVAKGFPGQ,LIJARHBVSA,N,Leuprorelin,GFIJNRVAKGFPGQ-LIJARHBVSA-N
HMDB41917,496.044020976,C21H18Cl2N2O8,O[C@@H]1[C@@H](O)[C@H](OC2N=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N=C2O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H18Cl2N2O8/c22-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)23)25-19(18(29)24-12)33-21-16(28)14(26)15(27)17(32-21)20(30)31/h1-7,14-17,19,21,26-28H,(H,24,29)(H,30,31)/t14-,15-,16+,17-,19?,21-/m0/s1",IWOJSSFCRQKNKN,IFBJMGMISA,N,Lorazepam glucuronide,IWOJSSFCRQKNKN-IFBJMGMISA-N
HMDB41918,370.181191203,C22H27ClN2O,CC(C)N1CCC(CC1)N(C(=O)CC1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3",XHOJAWVAWFHGHL,UHFFFAOYSA,N,Lorcainide,XHOJAWVAWFHGHL-UHFFFAOYSA-N
HMDB41919,334.027583052,C16H12Cl2N2O2,CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl,"InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3",FJIKWRGCXUCUIG,UHFFFAOYSA,N,Lormetazepam,FJIKWRGCXUCUIG-UHFFFAOYSA-N
HMDB41920,246.125594442,C15H18O3,CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1,"InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)",YMBXTVYHTMGZDW,UHFFFAOYSA,N,Loxoprofen,YMBXTVYHTMGZDW-UHFFFAOYSA-N
HMDB41921,541.249605118,C33H36ClN3O2,Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1.CC1=CC=CC=C1N1C(C)=NC2=CC=CC=C2C1=O,"InChI=1S/C17H21NO.C16H14N2O.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19;/h3-12,17H,13-14H2,1-2H3;3-10H,1-2H3;1H",WDGXQSVUSMTYNG,UHFFFAOYSA,N,Mandrax,WDGXQSVUSMTYNG-UHFFFAOYSA-N
HMDB41922,126.065394222,C3H6N6,N=C1NC(=N)NC(=N)N1,"InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)",JDSHMPZPIAZGSV,UHFFFAOYSA,N,Melamine,JDSHMPZPIAZGSV-UHFFFAOYSA-N
HMDB41923,177.115364107,C11H15NO,CNC(C)C(=O)C1=CC=C(C)C=C1,"InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3",YELGFTGWJGBAQU,UHFFFAOYSA,N,Mephedrone,YELGFTGWJGBAQU-UHFFFAOYSA-N
HMDB41924,120.093900384,C9H12,CC1=CC(C)=CC(C)=C1,"InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3",AUHZEENZYGFFBQ,UHFFFAOYSA,N,Mesitylene,AUHZEENZYGFFBQ-UHFFFAOYSA-N
HMDB41925,300.20893014,C20H28O2,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",XWALNWXLMVGSFR,HLXURNFRSA,N,Metandienone,XWALNWXLMVGSFR-HLXURNFRSA-N
HMDB41927,163.099714043,C10H13NO,CNC(C)C(=O)C1=CC=CC=C1,"InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3",LPLLVINFLBSFRP,UHFFFAOYSA,N,Methcathinone,LPLLVINFLBSFRP-UHFFFAOYSA-N
HMDB41928,302.224580204,C20H30O2,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)C=C(C)[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1",ANJQEDFWRSLVBR,VHUDCFPWSA,N,Methenolone,ANJQEDFWRSLVBR-VHUDCFPWSA-N
HMDB41929,90.031694058,C3H6O3,COCC(O)=O,"InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)",RMIODHQZRUFFFF,UHFFFAOYSA,N,Methoxyacetic acid,RMIODHQZRUFFFF-UHFFFAOYSA-N
HMDB41930,179.131014171,C11H17NO,CNC(C)CC1=CC=CC=C1OC,"InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3",OEHAYUOVELTAPG,UHFFFAOYSA,N,Methoxyphenamine,OEHAYUOVELTAPG-UHFFFAOYSA-N
HMDB41931,179.094628665,C10H13NO2,CC(N)CC1=CC2=C(OCO2)C=C1,"InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3",NGBBVGZWCFBOGO,UHFFFAOYSA,N,"3,4-Methylenedioxyamphetamine",NGBBVGZWCFBOGO-UHFFFAOYSA-N
HMDB41932,179.131014171,C11H17NO,CC(C(O)C1=CC=CC=C1)N(C)C,"InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3",FMCGSUUBYTWNDP,UHFFFAOYSA,N,Methylephedrine,FMCGSUUBYTWNDP-UHFFFAOYSA-N
HMDB41933,398.220557458,C23H30N2O4,[H][C@@]12C[C@@H]([C@H](CC)CN1CCC1=C2NC2=C1C(OC)=CC=C2)C(=C/OC)\C(=O)OC,"InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1",LELBFTMXCIIKKX,QVRQZEMUSA,N,Mitragynine,LELBFTMXCIIKKX-QVRQZEMUSA-N
HMDB41934,259.080435163,C9H13N3O6,NC(=O)C1=C(O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1",HZQDCMWJEBCWBR,UUOKFMHZSA,N,Mizoribine,HZQDCMWJEBCWBR-UUOKFMHZSA-N
HMDB41935,239.152143543,C13H21NO3,COC1=CC=CC=C1OCC(O)CNC(C)C,"InChI=1S/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-7-5-4-6-12(13)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3",LFTFGCDECFPSQD,UHFFFAOYSA,N,Moprolol,LFTFGCDECFPSQD-UHFFFAOYSA-N
HMDB41936,461.168581467,C23H27NO9,[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)C=C[C@@H]1[C@@]45CCN2C)=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3,"InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1",WAEXKFONHRHFBZ,ZXDZBKESSA,N,Morphine-3-glucuronide,WAEXKFONHRHFBZ-ZXDZBKESSA-N
HMDB41937,461.168581467,C23H27NO9,CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=C35,"InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1",GNJCUHZOSOYIEC,GAROZEBRSA,N,Morphine-6-glucuronide,GNJCUHZOSOYIEC-GAROZEBRSA-N
HMDB41938,241.073037738,C9H12ClN5O,COC1=NC(C)=NC(Cl)=C1NC1=NCCN1,"InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)",WPNJAUFVNXKLIM,UHFFFAOYSA,N,Moxonidine,WPNJAUFVNXKLIM-UHFFFAOYSA-N
HMDB41939,191.105862053,C10H13N3O,O=NN1CCCCC1C1=CN=CC=C1,"InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2",BXYPVKMROLGXJI,UHFFFAOYSA,N,N'-nitrosoanabasine,BXYPVKMROLGXJI-UHFFFAOYSA-N
HMDB41940,177.090211989,C9H11N3O,O=NN1CCCC1C1=CN=CC=C1,"InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2",XKABJYQDMJTNGQ,UHFFFAOYSA,N,N'-nitrosonornicotine,XKABJYQDMJTNGQ-UHFFFAOYSA-N
HMDB41941,144.06472552,C4H8N4O2,O=NN1CCN(CC1)N=O,InChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2,WNSYEWGYAFFSSQ,UHFFFAOYSA,N,"N,N'-dinitrosopiperazine",WNSYEWGYAFFSSQ-UHFFFAOYSA-N
HMDB41942,220.051777572,C7H12N2O4S,[H][C@@](CSC(O)=NC)(N=C(C)O)C(O)=O,"InChI=1S/C7H12N2O4S/c1-4(10)9-5(6(11)12)3-14-7(13)8-2/h5H,3H2,1-2H3,(H,8,13)(H,9,10)(H,11,12)/t5-/m0/s1",MXRPNYMMDLFYDL,YFKPBYRVSA,N,N-Acetyl-S-(N-methylcarbamoyl)cysteine,MXRPNYMMDLFYDL-YFKPBYRVSA-N
HMDB41943,195.089543287,C10H13NO3,CC(O)=NCCC1=CC(O)=C(O)C=C1,"InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)",OFSAJYZMIPNPHE,UHFFFAOYSA,N,N-Acetyldopamine,OFSAJYZMIPNPHE-UHFFFAOYSA-N
HMDB41944,277.179026995,C15H23N3O2,CCN(CC)CCNC(=O)C1=CC=C(C=C1)N=C(C)O,"InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)",KEECCEWTUVWFCV,UHFFFAOYSA,N,N-Acetylprocainamide,KEECCEWTUVWFCV-UHFFFAOYSA-N
HMDB41945,103.063328537,C4H9NO2,CCNCC(O)=O,"InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)",YPIGGYHFMKJNKV,UHFFFAOYSA,N,N-Ethylglycine,YPIGGYHFMKJNKV-UHFFFAOYSA-N
HMDB41946,144.053492132,C5H8N2O3,OC(=O)C1CCCN1N=O,"InChI=1S/C5H8N2O3/c8-5(9)4-2-1-3-7(4)6-10/h4H,1-3H2,(H,8,9)",WLKPHJWEIIAIFW,UHFFFAOYSA,N,N-Nitrosoproline,WLKPHJWEIIAIFW-UHFFFAOYSA-N
HMDB41947,230.186852027,C11H24N3O2,CC(O)=NCCCC[NH2+]CCCN=C(C)O,"InChI=1S/C11H23N3O2/c1-10(15)13-8-4-3-6-12-7-5-9-14-11(2)16/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16)/p+1",BKCVMAZDKFQPHB,UHFFFAOYSA,O,"N1,N8-Diacetylspermidine",BKCVMAZDKFQPHB-UHFFFAOYSA-O
HMDB41948,504.169034976,C18H32O16,OC[C@H]1OC(OC[C@H]2O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18?/m0/s1",FZWBNHMXJMCXLU,BCGMDATISA,N,Nephritogenoside,FZWBNHMXJMCXLU-BCGMDATISA-N
HMDB41949,265.058637089,C12H11NO6,CC(=O)C(=CC1=CC(=C(O)C(O)=C1)N(=O)=O)C(C)=O,"InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3",UPMRZALMHVUCIN,UHFFFAOYSA,N,Nitecapone,UPMRZALMHVUCIN-UHFFFAOYSA-N
HMDB41950,123.032028409,C6H5NO2,O=N(=O)C1=CC=CC=C1,InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H,LQNUZADURLCDLV,UHFFFAOYSA,N,Nitrobenzene,LQNUZADURLCDLV-UHFFFAOYSA-N
HMDB41951,282.980298509,C12H7Cl2NO3,ClC1=CC(Cl)=C(OC2=CC=C(C=C2)N(=O)=O)C=C1,InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H,XITQUSLLOSKDTB,UHFFFAOYSA,N,Nitrofen,XITQUSLLOSKDTB-UHFFFAOYSA-N
HMDB41953,225.111341361,C10H15N3O3,CN(CCCC(O)C1=CN(=O)=CC=C1)N=O,"InChI=1S/C10H15N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8,10,14H,3,5-6H2,1H3",DKBKTKUNVONEGX,UHFFFAOYSA,N,Nnal-N-oxide,DKBKTKUNVONEGX-UHFFFAOYSA-N
HMDB41954,259.157228921,C16H21NO2,[H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2,"InChI=1S/C16H21NO2/c18-12-4-3-11-9-14-16(19)6-2-1-5-15(16,7-8-17-14)13(11)10-12/h3-4,10,14,17-19H,1-2,5-9H2/t14-,15+,16-/m1/s1",GJOVVPXDEXUSTC,OWCLPIDISA,N,Norbutorphanol,GJOVVPXDEXUSTC-OWCLPIDISA-N
HMDB41955,289.131408101,C16H19NO4,COC(=O)C1C2CCC(CC1C(=O)OC1=CC=CC=C1)N2,"InChI=1S/C16H19NO4/c1-20-16(19)14-12(9-10-7-8-13(14)17-10)15(18)21-11-5-3-2-4-6-11/h2-6,10,12-14,17H,7-9H2,1H3",RERBBBLSJAMJFJ,UHFFFAOYSA,N,Norcocaine,RERBBBLSJAMJFJ-UHFFFAOYSA-N
HMDB41956,287.152143543,C17H21NO3,[H][C@@]12CC3=C4C(OC5[C@@H](O)CCC1[C@@]45CCN2)=C(OC)C=C3,"InChI=1S/C17H21NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2,5,10-12,16,18-19H,3-4,6-8H2,1H3/t10?,11-,12+,16?,17+/m1/s1",IKGNKASQBMZRJL,YGJOGQJWSA,N,Nordihydrocodeine,IKGNKASQBMZRJL-YGJOGQJWSA-N
HMDB41958,233.141578857,C14H19NO2,CCOC(=O)C1(CCNCC1)C1=CC=CC=C1,"InChI=1S/C14H19NO2/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3",QKHMFBKXTNQCTM,UHFFFAOYSA,N,Normeperidine,QKHMFBKXTNQCTM-UHFFFAOYSA-N
HMDB41959,271.120843415,C16H17NO3,OC1C=CC2C3CC4=C5C(OC1C25CCN3)=C(O)C=C4,"InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2",ONBWJWYUHXVEJS,UHFFFAOYSA,N,Normorphine,ONBWJWYUHXVEJS-UHFFFAOYSA-N
HMDB41960,301.131408101,C17H19NO4,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN[C@]([H])(C4)[C@]1(O)CCC2=O,"InChI=1S/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1",RIKMCJUNPCRFMW,ISWURRPUSA,N,Noroxycodone,RIKMCJUNPCRFMW-ISWURRPUSA-N
HMDB41962,325.204179113,C21H27NO2,CCC(=O)OC(CC1=CC=CC=C1)(C(C)CNC)C1=CC=CC=C1,"InChI=1S/C21H27NO2/c1-4-20(23)24-21(17(2)16-22-3,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,17,22H,4,15-16H2,1-3H3",IKACRWYHQXOSGM,UHFFFAOYSA,N,Norpropoxyphene,IKACRWYHQXOSGM-UHFFFAOYSA-N
HMDB41965,107.073499293,C7H9N,CC1=CC=CC=C1N,"InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3",RNVCVTLRINQCPJ,UHFFFAOYSA,N,O-Toluidine,RNVCVTLRINQCPJ-UHFFFAOYSA-N
HMDB41967,225.969310272,C8H6N2S3,CC1=C(SSC1=S)C1=CN=CC=N1,"InChI=1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3",CKNAQFVBEHDJQV,UHFFFAOYSA,N,Oltipraz,CKNAQFVBEHDJQV-UHFFFAOYSA-N
HMDB41969,462.082993301,C21H19ClN2O8,O[C@@H]1[C@@H](O)[C@H](OC2N=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N=C2O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H19ClN2O8/c22-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)24-19(18(28)23-12)32-21-16(27)14(25)15(26)17(31-21)20(29)30/h1-8,14-17,19,21,25-27H,(H,23,28)(H,29,30)/t14-,15-,16+,17-,19?,21-/m0/s1",FIKQKGFUBZQEBL,IFBJMGMISA,N,Oxazepam glucuronide,FIKQKGFUBZQEBL-IFBJMGMISA-N
HMDB41970,399.136510253,C19H21N5O3S,CC1=C(CSCCN=C2NC=C(CC3=CC4=C(OCO4)C=C3)C(O)=N2)NC=N1,"InChI=1S/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25)",YTBDPHYVGACIPC,UHFFFAOYSA,N,Oxmetidine,YTBDPHYVGACIPC-UHFFFAOYSA-N
HMDB41971,145.969005542,C6H4Cl2,ClC1=CC=C(Cl)C=C1,InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H,OCJBOOLMMGQPQU,UHFFFAOYSA,N,P-Dichlorobenzene,OCJBOOLMMGQPQU-UHFFFAOYSA-N
HMDB41974,263.847003189,C6HCl5O,OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,IZUPBVBPLAPZRR,UHFFFAOYSA,N,Pentachlorophenol,IZUPBVBPLAPZRR-UHFFFAOYSA-N
HMDB41980,163.875410828,C2Cl4,ClC(Cl)=C(Cl)Cl,InChI=1S/C2Cl4/c3-1(4)2(5)6,CYTYCFOTNPOANT,UHFFFAOYSA,N,Perchloroethylene,CYTYCFOTNPOANT-UHFFFAOYSA-N
HMDB41984,398.220557458,C23H30N2O4,[H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1",GPFAJKDEDBRFOS,FKQDBXSBSA,N,Pholcodine,GPFAJKDEDBRFOS-FKQDBXSBSA-N
HMDB41985,366.986863572,C12H15ClNO4PS2,CCOP(=S)(OCC)SCN1C(=O)OC2=C1C=CC(Cl)=C2,"InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3",IOUNQDKNJZEDEP,UHFFFAOYSA,N,Phosalone,IOUNQDKNJZEDEP-UHFFFAOYSA-N
HMDB41986,356.184840654,C19H24N4O3,[H]\C(CNC1=C(N)C(=O)C1=O)=C(/[H])COC1=NC=CC(CN2CCCCC2)=C1,"InChI=1S/C19H24N4O3/c20-16-17(19(25)18(16)24)22-7-2-5-11-26-15-12-14(6-8-21-15)13-23-9-3-1-4-10-23/h2,5-6,8,12,22H,1,3-4,7,9-11,13,20H2/b5-2-",XMDYZASWLGWIPL,DJWKRKHSSA,N,Pibutidine,XMDYZASWLGWIPL-DJWKRKHSSA-N
HMDB41988,308.071640755,C18H13ClN2O,ClC1=CC2=C(C=C1)N(CC#C)C(=O)CN=C2C1=CC=CC=C1,"InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2",MFZOSKPPVCIFMT,UHFFFAOYSA,N,Pinazepam,MFZOSKPPVCIFMT-UHFFFAOYSA-N
HMDB41989,303.133139435,C14H17N5O3,CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCNCC1,"InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)",JOHZPMXAZQZXHR,UHFFFAOYSA,N,Pipemidic acid,JOHZPMXAZQZXHR-UHFFFAOYSA-N
HMDB41990,430.27326173,C27H34N4O,OC(=N)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)N1CCCCC1,"InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)",IHEHEFLXQFOQJO,UHFFFAOYSA,N,Piritramide,IHEHEFLXQFOQJO-UHFFFAOYSA-N
HMDB41991,421.168936466,C25H24FNO4,O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1)CC(O)=O,"InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1",VGYFMXBACGZSIL,MCBHFWOFSA,N,Pitavastatin,VGYFMXBACGZSIL-MCBHFWOFSA-N
HMDB41992,102.068079564,C5H10O2,CC(C)(C)C(O)=O,"InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)",IUGYQRQAERSCNH,UHFFFAOYSA,N,Pivalic acid,IUGYQRQAERSCNH-UHFFFAOYSA-N
HMDB41993,245.162708229,C12H23NO4,CC(C)(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C12H23NO4/c1-12(2,3)11(16)17-9(7-10(14)15)8-13(4,5)6/h9H,7-8H2,1-6H3",YICAQFPUDACYGQ,UHFFFAOYSA,N,Pivaloylcarnitine,YICAQFPUDACYGQ-UHFFFAOYSA-N
HMDB41996,255.089543287,C15H13NO3,CC(C(O)=O)C1=CC2=C(OC3=C(C2)C=CC=N3)C=C1,"InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)",TVQZAMVBTVNYLA,UHFFFAOYSA,N,Pranoprofen,TVQZAMVBTVNYLA-UHFFFAOYSA-N
HMDB41997,350.245709576,C21H34O4,[H][C@@](C)(O)[C@@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C(=O)C[C@]12C,"InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-16,18,22-23,25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,18+,19-,20-,21-/m0/s1",WKFXHNDWEHDGQD,ZQRGSSBZSA,N,Pregnanetriolone,WKFXHNDWEHDGQD-ZQRGSSBZSA-N
HMDB41998,217.183049741,C15H23N,CCCC(CC1=CC=CC=C1)N1CCCC1,"InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3",OJCPSBCUMRIPFL,UHFFFAOYSA,N,Prolintane,OJCPSBCUMRIPFL-UHFFFAOYSA-N
HMDB41999,367.214743799,C23H29NO3,CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3",QPCVHQBVMYCJOM,UHFFFAOYSA,N,Propiverine,QPCVHQBVMYCJOM-UHFFFAOYSA-N
HMDB42000,204.126263144,C12H16N2O,CN(C)CCC1=CNC2=C1C(O)=CC=C2,"InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3",SPCIYGNTAMCTRO,UHFFFAOYSA,N,Psilocin,SPCIYGNTAMCTRO-UHFFFAOYSA-N
HMDB42002,202.07825032,C16H10,C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1,InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H,BBEAQIROQSPTKN,UHFFFAOYSA,N,Pyrene,BBEAQIROQSPTKN-UHFFFAOYSA-N
HMDB42003,517.224453,C29H32ClN5O2,COC1=CC=C2NC3=C(C=CC(Cl)=C3)C(N=C3C=C(CN4CCCC4)C(=O)C(CN4CCCC4)=C3)=C2N1,"InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,32-33H,2-5,10-13,17-18H2,1H3",YFYLPWJKCSESGB,UHFFFAOYSA,N,Pyronaridine,YFYLPWJKCSESGB-UHFFFAOYSA-N
HMDB42004,143.073499293,C10H9N,CC1=NC2=CC=CC=C2C=C1,"InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3",SMUQFGGVLNAIOZ,UHFFFAOYSA,N,Quinaldine,SMUQFGGVLNAIOZ-UHFFFAOYSA-N
HMDB42005,410.184171952,C23H26N2O5,[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1CC2=CC=CC=C2C[C@@]1([H])C(O)=O,"InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1",FLSLEGPOVLMJMN,YSSFQJQWSA,N,Quinaprilat,FLSLEGPOVLMJMN-YSSFQJQWSA-N
HMDB42006,164.05857751,C8H8N2O2,COC1=C(C#N)C(=O)N(C)C=C1,"InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3",PETSAYFQSGAEQY,UHFFFAOYSA,N,Ricinine,PETSAYFQSGAEQY-UHFFFAOYSA-N
HMDB42008,219.125928793,C13H17NO2,OC(=O)C(C1CCCCN1)C1=CC=CC=C1,"InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)",INGSNVSERUZOAK,UHFFFAOYSA,N,Ritalinic acid,INGSNVSERUZOAK-UHFFFAOYSA-N
HMDB42009,363.105290352,C17H18FN3O3S,CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN3CCSC1=C23)C(O)=O,"InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)",NJCJBUHJQLFDSW,UHFFFAOYSA,N,Rufloxacin,NJCJBUHJQLFDSW-UHFFFAOYSA-N
HMDB42010,287.105862053,C18H13N3O,O=C1N2CCC3=C(NC4=CC=CC=C34)C2=NC2=CC=CC=C12,"InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2",ACVGWSKVRYFWRP,UHFFFAOYSA,N,Rutaecarpine,ACVGWSKVRYFWRP-UHFFFAOYSA-N
HMDB42011,239.061613977,C11H13NO3S,CC(O)=NC(CSC1=CC=CC=C1)C(O)=O,"InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)",CICOZWHZVMOPJS,UHFFFAOYSA,N,S-Phenylmercapturic acid,CICOZWHZVMOPJS-UHFFFAOYSA-N
HMDB42012,179.094628665,C10H13NO2,[H][C@@]1(C)NCCC2=CC(O)=C(O)C=C12,"InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1",IBRKLUSXDYATLG,LURJTMIESA,N,Salsolinol,IBRKLUSXDYATLG-LURJTMIESA-N
HMDB42013,450.204238692,C27H30O6,CC(C)=CCOC1=CC=C(\C=C\C(=O)C2=C(OCC(O)=O)C=C(OCC=C(C)C)C=C2)C=C1,"InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+",GFWRVVCDTLRWPK,KPKJPENVSA,N,Sofalcone,GFWRVVCDTLRWPK-KPKJPENVSA-N
HMDB42015,402.143569466,C21H26N2O2S2,CN1CCCCC1CCN1C2=CC=CC=C2SC2=C1C=C(C=C2)S(C)(=O)=O,"InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",FLGCRGJDQJIJAW,UHFFFAOYSA,N,Sulforidazine,FLGCRGJDQJIJAW-UHFFFAOYSA-N
HMDB42019,438.179086574,C24H26N2O6,CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)",ONWXNHPOAGOMTG,UHFFFAOYSA,N,Suxibuzone,ONWXNHPOAGOMTG-UHFFFAOYSA-N
HMDB42020,363.252191937,C20H33N3O3,CC(C)(C)NCC(O)COC1=CC=C(NC(O)=NC2CCCCC2)C=C1,"InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)",MXFWWQICDIZSOA,UHFFFAOYSA,N,Talinolol,MXFWWQICDIZSOA-UHFFFAOYSA-N
HMDB42022,444.148570445,C20H29ClN2O5S,Cl.[H][C@@](C)(CC1=CC(=C(OC)C=C1)S(N)(=O)=O)NCCOC1=CC=CC=C1OCC,"InChI=1S/C20H28N2O5S.ClH/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24;/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24);1H/t15-;/m1./s1",ZZIZZTHXZRDOFM,XFULWGLBSA,N,Tamsulosin hydrochloride,ZZIZZTHXZRDOFM-XFULWGLBSA-N
HMDB42023,807.346605409,C43H53NO14,[H][C@@]12C[C@H](O)[C@]3(C)C([C@H](OC(=O)C4=CC=CC=C4)[C@]4(O)C[C@H](OC(=O)[C@H](O)[C@@H](N=C(O)OC(C)(C)C)C5=CC=CC=C5)C(C)=C([C@@H](O)C3=O)C4(C)C)[C@@]1(CO2)OC(C)=O,"InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33?,35-,41+,42-,43+/m0/s1",ZDZOTLJHXYCWBA,JXHJHTFNSA,N,Taxotere,ZDZOTLJHXYCWBA-JXHJHTFNSA-N
HMDB42024,300.063388116,C16H12O6,COC1=C(O)C2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1O,"InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",OBBCRPUNCUPUOS,UHFFFAOYSA,N,Tectorigenin,OBBCRPUNCUPUOS-UHFFFAOYSA-N
HMDB42025,317.191027608,C20H28ClN,Cl.CC(CC(C1=CC=CC=C1)C1=CC=CC=C1)NC(C)(C)C,"InChI=1S/C20H27N.ClH/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,16,19,21H,15H2,1-4H3;1H",RNGHAJVBYQPLAZ,UHFFFAOYSA,N,Terodiline hydrochloride,RNGHAJVBYQPLAZ-UHFFFAOYSA-N
HMDB42026,295.160599739,C16H25NO2S,CC(C)(C)NCC(O)COC1=CC=CC2=C1SCCC2,"InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3",HTWFXPCUFWKXOP,UHFFFAOYSA,N,Tertatolol,HTWFXPCUFWKXOP-UHFFFAOYSA-N
HMDB42029,288.102940883,C16H17ClN2O,CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CCCCC1,"InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3",IQWYAQCHYZHJOS,UHFFFAOYSA,N,Tetrazepam,IQWYAQCHYZHJOS-UHFFFAOYSA-N
HMDB42032,149.99867937,C4H6O4S,OC(=O)CSCC(O)=O,"InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",UVZICZIVKIMRNE,UHFFFAOYSA,N,Thiodiacetic acid,UVZICZIVKIMRNE-UHFFFAOYSA-N
HMDB42033,122.040150254,C4H10O2S,OCCSCCO,"InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2",YODZTKMDCQEPHD,UHFFFAOYSA,N,Thiodiglycol,YODZTKMDCQEPHD-UHFFFAOYSA-N
HMDB42036,276.095750876,C10H16N2O7,CC1(O)C(O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1O,"InChI=1S/C10H16N2O7/c1-10(18)7(15)11-9(17)12(8(10)16)6-2-4(14)5(3-13)19-6/h4-6,8,13-14,16,18H,2-3H2,1H3,(H,11,15,17)/t4-,5+,6+,8?,10?/m0/s1",RKEITGVZZHXKON,SKAWGCAZSA,N,Thymidine glycol,RKEITGVZZHXKON-SKAWGCAZSA-N
HMDB42037,160.048406754,C5H8N2O4,CC1(O)C(O)N=C(O)N=C1O,"InChI=1S/C5H8N2O4/c1-5(11)2(8)6-4(10)7-3(5)9/h2,8,11H,1H3,(H2,6,7,9,10)",GUKSGXOLJNWRLZ,UHFFFAOYSA,N,Thymine glycol,GUKSGXOLJNWRLZ-UHFFFAOYSA-N
HMDB42038,436.122355695,C21H25ClN2O4S,CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O,"InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)",JICJBGPOMZQUBB,UHFFFAOYSA,N,Tianeptine,JICJBGPOMZQUBB-UHFFFAOYSA-N
HMDB42039,328.145677956,C15H24N2O4S,CCN(CC)CCN=C(O)C1=C(OC)C=CC(=C1)S(C)(=O)=O,"InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)",JTVPZMFULRWINT,UHFFFAOYSA,N,Tiapride,JTVPZMFULRWINT-UHFFFAOYSA-N
HMDB42040,410.174949821,C22H31FO2S2,[H]C12CC[C@@](SC)(SCC)C1(C)CC([H])(O)[C@@]1(F)C2([H])CCC2=CC(=O)C=CC12C,"InChI=1S/C22H31FO2S2/c1-5-27-21(26-4)11-9-16-17-7-6-14-12-15(24)8-10-19(14,2)22(17,23)18(25)13-20(16,21)3/h8,10,12,16-18,25H,5-7,9,11,13H2,1-4H3/t16?,17?,18?,19?,20?,21-,22+/m1/s1",DXEXNWDGDYUITL,XDPGLMMESA,N,Tipredane,DXEXNWDGDYUITL-XDPGLMMESA-N
HMDB42041,403.16626942,C21H26ClN3O3,Cl.CCOC(O)=NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1,"InChI=1S/C21H25N3O3.ClH/c1-4-27-21(26)22-17-12-11-16-10-9-15-7-5-6-8-18(15)24(19(16)13-17)20(25)14-23(2)3;/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,22,26);1H",XJWABFCDXKZWPV,UHFFFAOYSA,N,Tiracizine,XJWABFCDXKZWPV-UHFFFAOYSA-N
HMDB42042,467.314792193,C28H41N3O3,CCCN(CCC)C(=O)C(CC1=CC=C(OCCN(CC)CC)C=C1)N=C(O)C1=CC=CC=C1,"InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)",FDBWMYOFXWMGEY,UHFFFAOYSA,N,Tiropramide,FDBWMYOFXWMGEY-UHFFFAOYSA-N
HMDB42043,261.05565634,C14H12ClNO2,CC1=C(Cl)C=CC=C1NC1=CC=CC=C1C(O)=O,"InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)",YEZNLOUZAIOMLT,UHFFFAOYSA,N,Tolfenamic acid,YEZNLOUZAIOMLT-UHFFFAOYSA-N
HMDB42044,433.137281339,C21H23NO9,CN1C(CC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1,"InChI=1S/C21H23NO9/c1-10-3-5-11(6-4-10)15(24)13-8-7-12(22(13)2)9-14(23)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h3-8,16-19,21,25-27H,9H2,1-2H3,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",MEFIGCPEYJZFFC,ZFORQUDYSA,N,Tolmetin glucuronide,MEFIGCPEYJZFFC-ZFORQUDYSA-N
HMDB42046,278.013008804,C6H14O8S2,CS(=O)(=O)OCC(O)C(O)COS(C)(=O)=O,"InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3",YCPOZVAOBBQLRI,UHFFFAOYSA,N,Treosulfan,YCPOZVAOBBQLRI-UHFFFAOYSA-N
HMDB42048,161.904212397,C2HCl3O2,OC(=O)C(Cl)(Cl)Cl,"InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)",YNJBWRMUSHSURL,UHFFFAOYSA,N,Trichloroacetic acid,YNJBWRMUSHSURL-UHFFFAOYSA-N
HMDB42049,323.957035827,C8H11Cl3O7,O[C@@H]1[C@@H](O)[C@H](OCC(Cl)(Cl)Cl)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C8H11Cl3O7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7+/m0/s1",IQOASJJGUQMXDW,GHQVIJFQSA,N,Trichloroethanol glucuronide,IQOASJJGUQMXDW-GHQVIJFQSA-N
HMDB42052,124.986947116,C3H9Se,C[Se+](C)C,InChI=1S/C3H9Se/c1-4(2)3/h1-3H3/q+1,BWJVPBNHAHLFAZ,UHFFFAOYSA,N,Trimethylselenonium,BWJVPBNHAHLFAZ-UHFFFAOYSA-N
HMDB42054,369.091389918,C16H20ClN3O3S,[H]C12CC[C@]([H])(C1)[C@]1([H])CN(C[C@]21[H])N=C(O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O,"InChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23)/t9-,10?,12+,13-/m1/s1",UHLOVGKIEARANS,HHPMFDKESA,N,Tripamide,UHLOVGKIEARANS-HHPMFDKESA-N
HMDB42055,427.191421538,C25H30ClNO3,[Cl-].[H][C@]12CC[C@]([H])(CC([H])(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)[N+]21CCCC1,"InChI=1S/C25H30NO3.ClH/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26;/h1-6,9-12,21-23,28H,7-8,13-18H2;1H/q+1;/p-1/t21-,22+,23?;",RVCSYOQWLPPAOA,DHWZJIOFSA,M,Trospium chloride,RVCSYOQWLPPAOA-DHWZJIOFSA-M
HMDB42056,263.084369649,C12H19Cl2NO,Cl.CC(C)(C)NCC(O)C1=CC=CC=C1Cl,"InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H",RSLNRVYIRDVHLY,UHFFFAOYSA,N,Tulobuterol,RSLNRVYIRDVHLY-UHFFFAOYSA-N
HMDB42057,3503.683361186,C145H234N52O44S3,CCC(C)C1NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(O)=O)NC(=O)C(CCSC)NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CSSCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(N)C(C)O,"InChI=1S/C145H234N52O44S3/c1-11-72(6)112-137(238)171-60-106(208)172-73(7)113(214)177-86(40-41-103(146)205)122(223)190-95(63-198)116(217)170-61-108(210)175-88(51-70(2)3)114(215)169-62-109(211)176-100(133(234)187-92(56-104(147)206)127(228)193-97(65-200)130(231)186-91(54-77-27-16-13-17-28-77)126(227)180-82(31-20-45-163-142(153)154)119(220)189-94(139(240)241)55-78-36-38-79(204)39-37-78)68-243-244-69-101(134(235)185-90(53-76-25-14-12-15-26-76)115(216)168-58-105(207)167-59-107(209)174-80(29-18-43-161-140(149)150)117(218)182-87(42-50-242-10)123(224)188-93(57-110(212)213)128(229)181-85(124(225)196-112)34-23-48-166-145(159)160)195-132(233)99(67-202)194-131(232)98(66-201)192-120(221)83(32-21-46-164-143(155)156)178-118(219)81(30-19-44-162-141(151)152)179-125(226)89(52-71(4)5)184-129(230)96(64-199)191-121(222)84(33-22-47-165-144(157)158)183-135(236)102-35-24-49-197(102)138(239)74(8)173-136(237)111(148)75(9)203/h12-17,25-28,36-39,70-75,80-102,111-112,198-204H,11,18-24,29-35,40-69,148H2,1-10H3,(H2,146,205)(H2,147,206)(H,167,207)(H,168,216)(H,169,215)(H,170,217)(H,171,238)(H,172,208)(H,173,237)(H,174,209)(H,175,210)(H,176,211)(H,177,214)(H,178,219)(H,179,226)(H,180,227)(H,181,229)(H,182,218)(H,183,236)(H,184,230)(H,185,235)(H,186,231)(H,187,234)(H,188,224)(H,189,220)(H,190,223)(H,191,222)(H,192,221)(H,193,228)(H,194,232)(H,195,233)(H,196,225)(H,212,213)(H,240,241)(H4,149,150,161)(H4,151,152,162)(H4,153,154,163)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)",IUCCYQIEZNQWRS,UHFFFAOYSA,N,Urodilatin,IUCCYQIEZNQWRS-UHFFFAOYSA-N
HMDB42058,214.11061308,C13H14N2O,OC1CCCC2=C1C(=N)C1=CC=CC=C1N2,"InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)",HLVVITIHAZBPKB,UHFFFAOYSA,N,Velnacrine,HLVVITIHAZBPKB-UHFFFAOYSA-N
HMDB42059,395.184506303,C22H25N3O4,COC1=C(OC)C=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C2NC(=O)CCC2=C1,"InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)",ZVNYJIZDIRKMBF,UHFFFAOYSA,N,Vesnarinone,ZVNYJIZDIRKMBF-UHFFFAOYSA-N
HMDB42061,722.642440484,C45H86O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3",DUXYWXYOBMKGIN,UHFFFAOYSA,N,TG(14:0/14:0/14:0),DUXYWXYOBMKGIN-UHFFFAOYSA-N
HMDB42062,736.658090554,C46H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C46H88O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-43(52-46(49)40-37-34-31-28-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h43H,4-42H2,1-3H3/t43-/m0/s1",BIVVSKATUZHURG,QLKFWGTOSA,N,TG(14:0/14:0/15:0),BIVVSKATUZHURG-QLKFWGTOSA-N
HMDB42063,750.673740618,C47H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3/t44-/m0/s1",AMXRERGJDVUTMF,SJARJILFSA,N,TG(14:0/14:0/16:0),AMXRERGJDVUTMF-SJARJILFSA-N
HMDB42064,778.705040747,C49H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1",YQLXPOXDXQWEKE,DXQCBLCSSA,N,TG(14:0/14:0/18:0),YQLXPOXDXQWEKE-DXQCBLCSSA-N
HMDB42065,806.736340876,C51H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m0/s1",ZARHKOGIOAZUIC,DYVQZXGMSA,N,TG(14:0/14:0/20:0),ZARHKOGIOAZUIC-DYVQZXGMSA-N
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HMDB42067,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",FCBDBDGGHRJXBL,MPLRIKRWSA,N,TG(14:0/14:0/24:0),FCBDBDGGHRJXBL-MPLRIKRWSA-N
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HMDB42073,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h23-24,26-27,32,35,48H,4-22,25,28-31,33-34,36-47H2,1-3H3/b24-23-,27-26-,35-32-/t48-/m0/s1",TZCJUHUCYSYHQO,HOFMUYODSA,N,"TG(14:0/14:0/20:3(5Z,8Z,11Z))",TZCJUHUCYSYHQO-HOFMUYODSA-N
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HMDB42079,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h16,19,23-24,26-27,48H,4-15,17-18,20-22,25,28-47H2,1-3H3/b19-16-,24-23-,27-26-/t48-/m0/s1",PEEVPWLSIPWIPE,FZCZWOBLSA,N,TG(14:0/14:0/20:3n6),PEEVPWLSIPWIPE-FZCZWOBLSA-N
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HMDB42090,764.725776191,C49H96O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H96O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-45-47(54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)46-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3/t47-/m1/s1",MJHWQBQQGQANME,QZNUWAOFSA,N,TG(14:0/14:0/o-18:0),MJHWQBQQGQANME-QZNUWAOFSA-N
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HMDB42092,750.673740618,C47H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3/t44-/m0/s1",ROBJWPSKKQDYDD,SJARJILFSA,N,TG(14:0/15:0/15:0),ROBJWPSKKQDYDD-SJARJILFSA-N
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HMDB42095,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m0/s1",GIRZAEOMTXSKGJ,GGCSAXROSA,N,TG(14:0/15:0/20:0),GIRZAEOMTXSKGJ-GGCSAXROSA-N
HMDB42096,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m0/s1",WKQBXIHVEYUNQD,XHIZWQFQSA,N,TG(14:0/15:0/22:0),WKQBXIHVEYUNQD-XHIZWQFQSA-N
HMDB42097,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-34-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1",GFAKZBLCKVOKCI,DTSDQNDWSA,N,TG(14:0/15:0/24:0),GFAKZBLCKVOKCI-DTSDQNDWSA-N
HMDB42098,734.642440489,C46H86O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C46H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43(41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2)42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3/h14,17,43H,4-13,15-16,18-42H2,1-3H3/b17-14-/t43-/m1/s1",PYWBOTIEOHDIPF,FKFLSBRZSA,N,TG(14:0/15:0/14:1(9Z)),PYWBOTIEOHDIPF-FKFLSBRZSA-N
HMDB42099,762.673740618,C48H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C48H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-23-20-17-14-11-8-5-2/h19,22,45H,4-18,20-21,23-44H2,1-3H3/b22-19-/t45-/m0/s1",WPZBPGLDPHSUSA,ZOATTWBSSA,N,TG(14:0/15:0/16:1(9Z)),WPZBPGLDPHSUSA-ZOATTWBSSA-N
HMDB42100,790.705040747,C50H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-/t47-/m0/s1",ZRADZZUWHHIFJP,KWLHUJJFSA,N,TG(14:0/15:0/18:1(11Z)),ZRADZZUWHHIFJP-KWLHUJJFSA-N
HMDB42101,790.705040747,C50H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h24-25,47H,4-23,26-46H2,1-3H3/b25-24-/t47-/m0/s1",LPFCBOFEKLNOFO,BQDYWPKPSA,N,TG(14:0/15:0/18:1(9Z)),LPFCBOFEKLNOFO-BQDYWPKPSA-N
HMDB42102,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h24-25,49H,4-23,26-48H2,1-3H3/b25-24-/t49-/m0/s1",KGFYMRDBADNRFA,AHTWSVOLSA,N,TG(14:0/15:0/20:1(11Z)),KGFYMRDBADNRFA-AHTWSVOLSA-N
HMDB42103,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h24-25,27-28,33,36,49H,4-23,26,29-32,34-35,37-48H2,1-3H3/b25-24-,28-27-,36-33-/t49-/m0/s1",IMTHJSQGZRSJGG,SEFBPNTPSA,N,"TG(14:0/15:0/20:3(5Z,8Z,11Z))",IMTHJSQGZRSJGG-SEFBPNTPSA-N
HMDB42104,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h24-25,51H,4-23,26-50H2,1-3H3/b25-24-/t51-/m0/s1",AHYXNVIQMVRTEC,SQWFITPDSA,N,TG(14:0/15:0/22:1(13Z)),AHYXNVIQMVRTEC-SQWFITPDSA-N
HMDB42105,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-34-23-20-17-14-11-8-5-2/h24-25,53H,4-23,26-52H2,1-3H3/b25-24-/t53-/m0/s1",MMHKUHGQERUUKO,VYMJCRDDSA,N,TG(14:0/15:0/24:1(15Z)),MMHKUHGQERUUKO-VYMJCRDDSA-N
HMDB42106,788.689390682,C50H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19,24-25,47H,4-15,17-18,20-23,26-46H2,1-3H3/b19-16-,25-24-/t47-/m0/s1",HFHPULQIGJZKNH,KNTGKAQQSA,N,"TG(14:0/15:0/18:2(9Z,12Z))",HFHPULQIGJZKNH-KNTGKAQQSA-N
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HMDB42108,816.720690811,C52H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19,24-25,49H,4-15,17-18,20-23,26-48H2,1-3H3/b19-16-,25-24-/t49-/m0/s1",BNMAVVCRFTYTND,ASUOMLQXSA,N,TG(14:0/15:0/20:2n6),BNMAVVCRFTYTND-ASUOMLQXSA-N
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HMDB42110,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,33,36,49H,4-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b19-16-,25-24-,28-27-,36-33-/t49-/m0/s1",VNAVIMCOXFZDBZ,HGRWMSJVSA,N,"TG(14:0/15:0/20:4(5Z,8Z,11Z,14Z))",VNAVIMCOXFZDBZ-HGRWMSJVSA-N
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HMDB42112,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,51H,4-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-/t51-/m0/s1",RMSVDGYULQBZFR,SVIBBISDSA,N,"TG(14:0/15:0/22:4(7Z,10Z,13Z,16Z))",RMSVDGYULQBZFR-SVIBBISDSA-N
HMDB42113,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,38,41,51H,4-15,17-18,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-,41-38-/t51-/m0/s1",FSOJDGOOPUFQTE,KCKPTAAPSA,N,"TG(14:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",FSOJDGOOPUFQTE-KCKPTAAPSA-N
HMDB42114,786.673740618,C50H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,47H,4-6,8-9,11-15,17-18,20-23,26-46H2,1-3H3/b10-7-,19-16-,25-24-/t47-/m0/s1",HDAXJZGMPWYPFD,IWSFDNRQSA,N,"TG(14:0/15:0/18:3(9Z,12Z,15Z))",HDAXJZGMPWYPFD-IWSFDNRQSA-N
HMDB42115,784.658090554,C50H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,29,31,47H,4-6,8-9,11-15,17-18,20-23,26-28,30,32-46H2,1-3H3/b10-7-,19-16-,25-24-,31-29-/t47-/m0/s1",BJTQOQAVUSVNMX,IIKFCAKUSA,N,"TG(14:0/15:0/18:4(6Z,9Z,12Z,15Z))",BJTQOQAVUSVNMX-IIKFCAKUSA-N
HMDB42116,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,49H,4-6,8-9,11-15,17-18,20-23,26,29-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-/t49-/m0/s1",VLQDOHZVUPMBMI,NYTUSQOUSA,N,"TG(14:0/15:0/20:4(8Z,11Z,14Z,17Z))",VLQDOHZVUPMBMI-NYTUSQOUSA-N
HMDB42117,810.673740618,C52H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,33,36,49H,4-6,8-9,11-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,36-33-/t49-/m0/s1",GZCDLTADQQVISY,MCPBBNGLSA,N,"TG(14:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",GZCDLTADQQVISY-MCPBBNGLSA-N
HMDB42118,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-/t51-/m0/s1",OTBZLUUCZPBSNU,WKQINSMFSA,N,"TG(14:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",OTBZLUUCZPBSNU-WKQINSMFSA-N
HMDB42119,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,38,41,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-,41-38-/t51-/m0/s1",NCEOYIJXBHDOFM,VPQXLLAMSA,N,"TG(14:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NCEOYIJXBHDOFM-VPQXLLAMSA-N
HMDB42120,778.741426256,C50H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H98O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-46-48(47-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m1/s1",LKKOPCFTBFSGGJ,QSCHNALKSA,N,TG(14:0/15:0/o-18:0),LKKOPCFTBFSGGJ-QSCHNALKSA-N
HMDB42121,750.673740612,C47H90O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h44H,4-43H2,1-3H3",UXWDTZNNQVHGSG,UHFFFAOYSA,N,TG(14:0/16:0/14:0),UXWDTZNNQVHGSG-UHFFFAOYSA-N
HMDB42122,764.689390682,C48H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3/t45-/m0/s1",KIJZQPSIYZOTDP,GWHBCOKCSA,N,TG(14:0/16:0/15:0),KIJZQPSIYZOTDP-GWHBCOKCSA-N
HMDB42123,778.705040747,C49H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1",JWVXCFSNEOMSHH,DXQCBLCSSA,N,TG(14:0/16:0/16:0),JWVXCFSNEOMSHH-DXQCBLCSSA-N
HMDB42124,806.736340876,C51H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m0/s1",JTDPHURHZMZJHD,DYVQZXGMSA,N,TG(14:0/16:0/18:0),JTDPHURHZMZJHD-DYVQZXGMSA-N
HMDB42125,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m0/s1",VGEMNMJCWPDGJU,DPDRHGIRSA,N,TG(14:0/16:0/20:0),VGEMNMJCWPDGJU-DPDRHGIRSA-N
HMDB42126,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",YNLBJDZGDGTZBP,MPLRIKRWSA,N,TG(14:0/16:0/22:0),YNLBJDZGDGTZBP-MPLRIKRWSA-N
HMDB42127,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",IWDLZKQGZWLHNJ,XSMLMOGHSA,N,TG(14:0/16:0/24:0),IWDLZKQGZWLHNJ-XSMLMOGHSA-N
HMDB42128,748.658090554,C47H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-/t44-/m1/s1",LKQZQPJLOPLSMV,HZMXKNRLSA,N,TG(14:0/16:0/14:1(9Z)),LKQZQPJLOPLSMV-HZMXKNRLSA-N
HMDB42129,776.689390682,C49H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-/t46-/m0/s1",JYICXCHHKWVGEI,FIZKWYBOSA,N,TG(14:0/16:0/16:1(9Z)),JYICXCHHKWVGEI-FIZKWYBOSA-N
HMDB42130,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h19,22,48H,4-18,20-21,23-47H2,1-3H3/b22-19-/t48-/m0/s1",UPTISBGEYYYCRS,DLOIZKPKSA,N,TG(14:0/16:0/18:1(11Z)),UPTISBGEYYYCRS-DLOIZKPKSA-N
HMDB42131,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h24-25,48H,4-23,26-47H2,1-3H3/b25-24-/t48-/m0/s1",GPXZOHHIWJNYTJ,WHHGSLFXSA,N,TG(14:0/16:0/18:1(9Z)),GPXZOHHIWJNYTJ-WHHGSLFXSA-N
HMDB42132,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h24-25,50H,4-23,26-49H2,1-3H3/b25-24-/t50-/m0/s1",PHAZXJMIZJNKNN,WTDFYVPFSA,N,TG(14:0/16:0/20:1(11Z)),PHAZXJMIZJNKNN-WTDFYVPFSA-N
HMDB42133,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h24-25,27,29,34,37,50H,4-23,26,28,30-33,35-36,38-49H2,1-3H3/b25-24-,29-27-,37-34-/t50-/m0/s1",XKSMDDWUQAYQCM,KXUPRZBASA,N,"TG(14:0/16:0/20:3(5Z,8Z,11Z))",XKSMDDWUQAYQCM-KXUPRZBASA-N
HMDB42134,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h24-25,52H,4-23,26-51H2,1-3H3/b25-24-/t52-/m0/s1",KKTCAUDCYRIVEB,HUNVKYDPSA,N,TG(14:0/16:0/22:1(13Z)),KKTCAUDCYRIVEB-HUNVKYDPSA-N
HMDB42135,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h24-25,54H,4-23,26-53H2,1-3H3/b25-24-/t54-/m0/s1",ABNSWGKFFQUIAR,KAESFFBXSA,N,TG(14:0/16:0/24:1(15Z)),ABNSWGKFFQUIAR-KAESFFBXSA-N
HMDB42136,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,24-25,48H,4-15,17-18,20-23,26-47H2,1-3H3/b19-16-,25-24-/t48-/m0/s1",YUIIXXZIUIOJQY,RGFFXGESSA,N,"TG(14:0/16:0/18:2(9Z,12Z))",YUIIXXZIUIOJQY-RGFFXGESSA-N
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HMDB42138,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19,24-25,50H,4-15,17-18,20-23,26-49H2,1-3H3/b19-16-,25-24-/t50-/m0/s1",JBDIRAWBRFQEGE,QHOVMSCMSA,N,TG(14:0/16:0/20:2n6),JBDIRAWBRFQEGE-QHOVMSCMSA-N
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HMDB42140,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19,24-25,27,29,34,37,50H,4-15,17-18,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b19-16-,25-24-,29-27-,37-34-/t50-/m0/s1",FKJNKIIHHYXTFQ,SUNRTHERSA,N,"TG(14:0/16:0/20:4(5Z,8Z,11Z,14Z))",FKJNKIIHHYXTFQ-SUNRTHERSA-N
HMDB42141,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19,24-25,52H,4-15,17-18,20-23,26-51H2,1-3H3/b19-16-,25-24-/t52-/m0/s1",MAWNMWMBEALZSI,JHSOZWSOSA,N,"TG(14:0/16:0/22:2(13Z,16Z))",MAWNMWMBEALZSI-JHSOZWSOSA-N
HMDB42142,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,33,52H,4-15,17-18,20-23,26,29-30,32,34-51H2,1-3H3/b19-16-,25-24-,28-27-,33-31-/t52-/m0/s1",SNUZLEOJKMJJKW,AUCUUICSSA,N,"TG(14:0/16:0/22:4(7Z,10Z,13Z,16Z))",SNUZLEOJKMJJKW-AUCUUICSSA-N
HMDB42143,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,33,39,42,52H,4-15,17-18,20-23,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b19-16-,25-24-,28-27-,33-31-,42-39-/t52-/m0/s1",DBIJZZLMYBLAQP,WLYRKDTMSA,N,"TG(14:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",DBIJZZLMYBLAQP-WLYRKDTMSA-N
HMDB42144,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,48H,4-6,8-9,11-15,17-18,20-23,26-47H2,1-3H3/b10-7-,19-16-,25-24-/t48-/m0/s1",IJXMVNJNIOUHCI,UFMXUTEYSA,N,"TG(14:0/16:0/18:3(9Z,12Z,15Z))",IJXMVNJNIOUHCI-UFMXUTEYSA-N
HMDB42145,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,29,32,48H,4-6,8-9,11-15,17-18,20-23,26-28,30-31,33-47H2,1-3H3/b10-7-,19-16-,25-24-,32-29-/t48-/m0/s1",OERBUNDZQSEJCT,ZQWASXBHSA,N,"TG(14:0/16:0/18:4(6Z,9Z,12Z,15Z))",OERBUNDZQSEJCT-ZQWASXBHSA-N
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HMDB42147,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,34,37,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-,37-34-/t50-/m0/s1",REVSLNKZXRDJPV,ROXMGXQMSA,N,"TG(14:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",REVSLNKZXRDJPV-ROXMGXQMSA-N
HMDB42148,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,33,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32,34-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-31-/t52-/m0/s1",PDOWBMFLISSQRT,BAWFBKEMSA,N,"TG(14:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",PDOWBMFLISSQRT-BAWFBKEMSA-N
HMDB42149,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,33,39,42,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-31-,42-39-/t52-/m0/s1",UXGPUQXLYDHGHO,DMUNMZOESA,N,"TG(14:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UXGPUQXLYDHGHO-DMUNMZOESA-N
HMDB42150,792.75707632,C51H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(48-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m1/s1",XIBNCRQXMNTDBS,ANFMRNGASA,N,TG(14:0/16:0/o-18:0),XIBNCRQXMNTDBS-ANFMRNGASA-N
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HMDB42152,792.720690811,C50H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3/t47-/m0/s1",UXIUXJAHXBTCJT,MFERNQICSA,N,TG(14:0/18:0/15:0),UXIUXJAHXBTCJT-MFERNQICSA-N
HMDB42153,806.736340876,C51H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m0/s1",WUEMTOCMKVMXDH,DYVQZXGMSA,N,TG(14:0/18:0/16:0),WUEMTOCMKVMXDH-DYVQZXGMSA-N
HMDB42154,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m0/s1",RDVFJKJMACSAJD,DPDRHGIRSA,N,TG(14:0/18:0/18:0),RDVFJKJMACSAJD-DPDRHGIRSA-N
HMDB42155,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",RBAQACBDRBDZTL,MPLRIKRWSA,N,TG(14:0/18:0/20:0),RBAQACBDRBDZTL-MPLRIKRWSA-N
HMDB42156,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",SAELVKDBJPOKJV,XSMLMOGHSA,N,TG(14:0/18:0/22:0),SAELVKDBJPOKJV-XSMLMOGHSA-N
HMDB42157,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",CKJVZZKPXUKBFF,UWGNJQTFSA,N,TG(14:0/18:0/24:0),CKJVZZKPXUKBFF-UWGNJQTFSA-N
HMDB42158,776.689390682,C49H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14,17,46H,4-13,15-16,18-45H2,1-3H3/b17-14-/t46-/m1/s1",IZWQTXIDHOFAAZ,JPSWPIJQSA,N,TG(14:0/18:0/14:1(9Z)),IZWQTXIDHOFAAZ-JPSWPIJQSA-N
HMDB42159,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,48H,4-19,21-22,24-47H2,1-3H3/b23-20-/t48-/m0/s1",XDVKVHMKGOPDFU,XSIURGGPSA,N,TG(14:0/18:0/16:1(9Z)),XDVKVHMKGOPDFU-XSIURGGPSA-N
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HMDB42161,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h24,26,50H,4-23,25,27-49H2,1-3H3/b26-24-/t50-/m0/s1",STJWLLYLXYVNSF,YVUYSCDNSA,N,TG(14:0/18:0/18:1(9Z)),STJWLLYLXYVNSF-YVUYSCDNSA-N
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HMDB42163,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h24,26,29-30,36,39,52H,4-23,25,27-28,31-35,37-38,40-51H2,1-3H3/b26-24-,30-29-,39-36-/t52-/m0/s1",RVRHSALQSYBGAG,BWCQLJFBSA,N,"TG(14:0/18:0/20:3(5Z,8Z,11Z))",RVRHSALQSYBGAG-BWCQLJFBSA-N
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HMDB42170,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,36,39,52H,4-15,17-18,20-23,25,27-28,31-35,37-38,40-51H2,1-3H3/b19-16-,26-24-,30-29-,39-36-/t52-/m0/s1",NOCKWBKJMQWVLP,SCGARFMQSA,N,"TG(14:0/18:0/20:4(5Z,8Z,11Z,14Z))",NOCKWBKJMQWVLP-SCGARFMQSA-N
HMDB42171,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,54H,4-15,17-18,20-23,25,27-53H2,1-3H3/b19-16-,26-24-/t54-/m0/s1",NMKHOLDXUKPZEM,CVPIKHQZSA,N,"TG(14:0/18:0/22:2(13Z,16Z))",NMKHOLDXUKPZEM-CVPIKHQZSA-N
HMDB42172,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,32,35,54H,4-15,17-18,20-23,25,27,30-31,33-34,36-53H2,1-3H3/b19-16-,26-24-,29-28-,35-32-/t54-/m0/s1",XEOFILXSSITART,MCSSEQPZSA,N,"TG(14:0/18:0/22:4(7Z,10Z,13Z,16Z))",XEOFILXSSITART-MCSSEQPZSA-N
HMDB42173,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,32,35,41,44,54H,4-15,17-18,20-23,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b19-16-,26-24-,29-28-,35-32-,44-41-/t54-/m0/s1",HJBSNTKEHJKZIB,KKMCUQKISA,N,"TG(14:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",HJBSNTKEHJKZIB-KKMCUQKISA-N
HMDB42174,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,50H,4-6,8-9,11-15,17-18,20-23,25,27-49H2,1-3H3/b10-7-,19-16-,26-24-/t50-/m0/s1",HYCJEHMBNSROSN,ZITZSBPZSA,N,"TG(14:0/18:0/18:3(9Z,12Z,15Z))",HYCJEHMBNSROSN-ZITZSBPZSA-N
HMDB42175,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,31,34,50H,4-6,8-9,11-15,17-18,20-23,25,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,26-24-,34-31-/t50-/m0/s1",HBXDNORVVBXTEO,ISUJQMKXSA,N,"TG(14:0/18:0/18:4(6Z,9Z,12Z,15Z))",HBXDNORVVBXTEO-ISUJQMKXSA-N
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HMDB42180,820.788376449,C53H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C53H104O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m1/s1",BLZLPEWBHCCDEZ,NLXJDERGSA,N,TG(14:0/18:0/o-18:0),BLZLPEWBHCCDEZ-NLXJDERGSA-N
HMDB42181,806.736340868,C51H98O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h48H,4-47H2,1-3H3",YUAONXWAMSMGGS,UHFFFAOYSA,N,TG(14:0/20:0/14:0),YUAONXWAMSMGGS-UHFFFAOYSA-N
HMDB42182,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m0/s1",NJZQTALSCFSTEN,GGCSAXROSA,N,TG(14:0/20:0/15:0),NJZQTALSCFSTEN-GGCSAXROSA-N
HMDB42183,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m0/s1",PMVGVZDHACQQGN,DPDRHGIRSA,N,TG(14:0/20:0/16:0),PMVGVZDHACQQGN-DPDRHGIRSA-N
HMDB42184,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",TUOJTSGOHCOSDY,MPLRIKRWSA,N,TG(14:0/20:0/18:0),TUOJTSGOHCOSDY-MPLRIKRWSA-N
HMDB42185,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",BWDWVGAXNHEOOE,XSMLMOGHSA,N,TG(14:0/20:0/20:0),BWDWVGAXNHEOOE-XSMLMOGHSA-N
HMDB42186,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",QUCLJOJHCFISST,UWGNJQTFSA,N,TG(14:0/20:0/22:0),QUCLJOJHCFISST-UWGNJQTFSA-N
HMDB42187,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",UXWCCDILEABADR,XKJQNMSGSA,N,TG(14:0/20:0/24:0),UXWCCDILEABADR-XKJQNMSGSA-N
HMDB42188,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,17,48H,4-13,15-16,18-47H2,1-3H3/b17-14-/t48-/m1/s1",BTOWRFGRCHLADK,WZBLLWBYSA,N,TG(14:0/20:0/14:1(9Z)),BTOWRFGRCHLADK-WZBLLWBYSA-N
HMDB42189,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-/t50-/m0/s1",CIMDHEWNTNONFU,YVMYVILJSA,N,TG(14:0/20:0/16:1(9Z)),CIMDHEWNTNONFU-YVMYVILJSA-N
HMDB42190,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-/t52-/m0/s1",UISVEXKWAMDMKX,JDFQBTJKSA,N,TG(14:0/20:0/18:1(11Z)),UISVEXKWAMDMKX-JDFQBTJKSA-N
HMDB42191,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h25,28,52H,4-24,26-27,29-51H2,1-3H3/b28-25-/t52-/m0/s1",URYKGKHRFZZCKW,GRVDWIIMSA,N,TG(14:0/20:0/18:1(9Z)),URYKGKHRFZZCKW-GRVDWIIMSA-N
HMDB42192,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,54H,4-23,25,27-53H2,1-3H3/b26-24-/t54-/m0/s1",WEUNTUVUAWDABH,ULQCEOSSSA,N,TG(14:0/20:0/20:1(11Z)),WEUNTUVUAWDABH-ULQCEOSSSA-N
HMDB42193,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,30,32,38,41,54H,4-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b26-24-,32-30-,41-38-/t54-/m0/s1",MPHCGZMQUSAMKJ,VVCUYWKZSA,N,"TG(14:0/20:0/20:3(5Z,8Z,11Z))",MPHCGZMQUSAMKJ-VVCUYWKZSA-N
HMDB42194,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h24,26,56H,4-23,25,27-55H2,1-3H3/b26-24-/t56-/m0/s1",MZXXNIIBQUJJGT,LIZMGIQCSA,N,TG(14:0/20:0/22:1(13Z)),MZXXNIIBQUJJGT-LIZMGIQCSA-N
HMDB42195,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h24,26,58H,4-23,25,27-57H2,1-3H3/b26-24-/t58-/m0/s1",QAIXXFUKEFPILM,QEMCYTAJSA,N,TG(14:0/20:0/24:1(15Z)),QAIXXFUKEFPILM-QEMCYTAJSA-N
HMDB42196,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,52H,4-16,18-19,21-24,26-27,29-51H2,1-3H3/b20-17-,28-25-/t52-/m0/s1",ZKVNKLVVLHIQBQ,WTTMJSKZSA,N,"TG(14:0/20:0/18:2(9Z,12Z))",ZKVNKLVVLHIQBQ-WTTMJSKZSA-N
HMDB42197,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,33,36,52H,4-16,18-19,21-24,26-27,29-32,34-35,37-51H2,1-3H3/b20-17-,28-25-,36-33-/t52-/m0/s1",AWDHZZVHWUIZSY,MCMWNUHLSA,N,"TG(14:0/20:0/18:3(6Z,9Z,12Z))",AWDHZZVHWUIZSY-MCMWNUHLSA-N
HMDB42198,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,54H,4-15,17-18,20-23,25,27-53H2,1-3H3/b19-16-,26-24-/t54-/m0/s1",OZJZLHIZXUGMED,CVPIKHQZSA,N,TG(14:0/20:0/20:2n6),OZJZLHIZXUGMED-CVPIKHQZSA-N
HMDB42199,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,54H,4-15,17-18,20-23,25,27-29,31,33-53H2,1-3H3/b19-16-,26-24-,32-30-/t54-/m0/s1",SENTUJWTPLLHAV,TVXYYDOCSA,N,TG(14:0/20:0/20:3n6),SENTUJWTPLLHAV-TVXYYDOCSA-N
HMDB42200,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,38,41,54H,4-15,17-18,20-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,26-24-,32-30-,41-38-/t54-/m0/s1",XJKXBTKTOXZQFL,OGCNKRQBSA,N,"TG(14:0/20:0/20:4(5Z,8Z,11Z,14Z))",XJKXBTKTOXZQFL-OGCNKRQBSA-N
HMDB42201,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,56H,4-15,17-18,20-23,25,27-55H2,1-3H3/b19-16-,26-24-/t56-/m0/s1",RCZREYIMELSGSA,KNAYTQRDSA,N,"TG(14:0/20:0/22:2(13Z,16Z))",RCZREYIMELSGSA-KNAYTQRDSA-N
HMDB42202,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,34,37,56H,4-15,17-18,20-23,25,27-28,30,32-33,35-36,38-55H2,1-3H3/b19-16-,26-24-,31-29-,37-34-/t56-/m0/s1",PWLBGEZKYAZHDE,VAZGHMPPSA,N,"TG(14:0/20:0/22:4(7Z,10Z,13Z,16Z))",PWLBGEZKYAZHDE-VAZGHMPPSA-N
HMDB42203,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,34,37,43,46,56H,4-15,17-18,20-23,25,27-28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,26-24-,31-29-,37-34-,46-43-/t56-/m0/s1",CFNQRNRRGMWBEU,DQSCBJRJSA,N,"TG(14:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",CFNQRNRRGMWBEU-DQSCBJRJSA-N
HMDB42204,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-51H2,1-3H3/b11-8-,20-17-,28-25-/t52-/m0/s1",LIMGVWSRPUIYTD,JHHRBSFXSA,N,"TG(14:0/20:0/18:3(9Z,12Z,15Z))",LIMGVWSRPUIYTD-JHHRBSFXSA-N
HMDB42205,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,33,36,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-32,34-35,37-51H2,1-3H3/b11-8-,20-17-,28-25-,36-33-/t52-/m0/s1",DZFLABCTBRRJQT,SJYWOFPOSA,N,"TG(14:0/20:0/18:4(6Z,9Z,12Z,15Z))",DZFLABCTBRRJQT-SJYWOFPOSA-N
HMDB42206,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,54H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-53H2,1-3H3/b10-7-,19-16-,26-24-,32-30-/t54-/m0/s1",GEYNVUPCUDZJMH,QPAZPBKESA,N,"TG(14:0/20:0/20:4(8Z,11Z,14Z,17Z))",GEYNVUPCUDZJMH-QPAZPBKESA-N
HMDB42207,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,38,41,54H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,41-38-/t54-/m0/s1",QVTBPCIHCQQWGM,XDWOALPCSA,N,"TG(14:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",QVTBPCIHCQQWGM-XDWOALPCSA-N
HMDB42208,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,34,37,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,37-34-/t56-/m0/s1",GUQCSHPQVMOZPU,RPFRWXPLSA,N,"TG(14:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",GUQCSHPQVMOZPU-RPFRWXPLSA-N
HMDB42209,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,37-34-,46-43-/t56-/m0/s1",JCZVOJRQXOBKKH,OJEYETTMSA,N,"TG(14:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JCZVOJRQXOBKKH-OJEYETTMSA-N
HMDB42210,848.819676578,C55H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m1/s1",ILCVAZRHTOHDBR,IONAWPRUSA,N,TG(14:0/20:0/o-18:0),ILCVAZRHTOHDBR-IONAWPRUSA-N
HMDB42211,834.767640996,C53H102O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h50H,4-49H2,1-3H3",LMZDPZZERPWFFN,UHFFFAOYSA,N,TG(14:0/22:0/14:0),LMZDPZZERPWFFN-UHFFFAOYSA-N
HMDB42212,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m0/s1",OMLIURRWUNQHLK,XHIZWQFQSA,N,TG(14:0/22:0/15:0),OMLIURRWUNQHLK-XHIZWQFQSA-N
HMDB42213,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",WGSLYUZAJFHORT,MPLRIKRWSA,N,TG(14:0/22:0/16:0),WGSLYUZAJFHORT-MPLRIKRWSA-N
HMDB42214,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",WCYDMWYOQAHQMI,XSMLMOGHSA,N,TG(14:0/22:0/18:0),WCYDMWYOQAHQMI-XSMLMOGHSA-N
HMDB42215,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",FLDJGRULKZIRDF,UWGNJQTFSA,N,TG(14:0/22:0/20:0),FLDJGRULKZIRDF-UWGNJQTFSA-N
HMDB42216,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",QYAVKOMTDMYZGS,XKJQNMSGSA,N,TG(14:0/22:0/22:0),QYAVKOMTDMYZGS-XKJQNMSGSA-N
HMDB42217,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m0/s1",BGDLSCZRXMMLPC,WDLSKMLESA,N,TG(14:0/22:0/24:0),BGDLSCZRXMMLPC-WDLSKMLESA-N
HMDB42218,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,17,50H,4-13,15-16,18-49H2,1-3H3/b17-14-/t50-/m1/s1",OFUDVMKLJSUQRK,CKWAXFGSSA,N,TG(14:0/22:0/14:1(9Z)),OFUDVMKLJSUQRK-CKWAXFGSSA-N
HMDB42219,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-/t52-/m0/s1",ABLGJSBDDBKDTG,JDFQBTJKSA,N,TG(14:0/22:0/16:1(9Z)),ABLGJSBDDBKDTG-JDFQBTJKSA-N
HMDB42220,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-/t54-/m0/s1",HOPNBDYQIPEPJT,AEGUMOJNSA,N,TG(14:0/22:0/18:1(11Z)),HOPNBDYQIPEPJT-AEGUMOJNSA-N
HMDB42221,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h25,30,54H,4-24,26-29,31-53H2,1-3H3/b30-25-/t54-/m0/s1",KGVRIPFAUKNKTG,LCJXGUSNSA,N,TG(14:0/22:0/18:1(9Z)),KGVRIPFAUKNKTG-LCJXGUSNSA-N
HMDB42222,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m0/s1",VAGKZVNTAZNDGU,WOGGMIHASA,N,TG(14:0/22:0/20:1(11Z)),VAGKZVNTAZNDGU-WOGGMIHASA-N
HMDB42223,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h25,27,32,34,40,43,56H,4-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b27-25-,34-32-,43-40-/t56-/m0/s1",DWCFJPRFMWIZLK,RFXFWZPYSA,N,"TG(14:0/22:0/20:3(5Z,8Z,11Z))",DWCFJPRFMWIZLK-RFXFWZPYSA-N
HMDB42224,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,58H,4-23,25,27-57H2,1-3H3/b26-24-/t58-/m0/s1",GRWUHEBMZXVSHT,QEMCYTAJSA,N,TG(14:0/22:0/22:1(13Z)),GRWUHEBMZXVSHT-QEMCYTAJSA-N
HMDB42225,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h24,26,60H,4-23,25,27-59H2,1-3H3/b26-24-/t60-/m0/s1",NSFHIRVYTDSVSD,HFGOSKLVSA,N,TG(14:0/22:0/24:1(15Z)),NSFHIRVYTDSVSD-HFGOSKLVSA-N
HMDB42226,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,25,30,54H,4-16,18-19,21-24,26-29,31-53H2,1-3H3/b20-17-,30-25-/t54-/m0/s1",HXEISSJOFCIPBF,VOGNSCLKSA,N,"TG(14:0/22:0/18:2(9Z,12Z))",HXEISSJOFCIPBF-VOGNSCLKSA-N
HMDB42227,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,25,30,35,38,54H,4-16,18-19,21-24,26-29,31-34,36-37,39-53H2,1-3H3/b20-17-,30-25-,38-35-/t54-/m0/s1",BLXQIUODGKBTGK,LCWYSKTQSA,N,"TG(14:0/22:0/18:3(6Z,9Z,12Z))",BLXQIUODGKBTGK-LCWYSKTQSA-N
HMDB42228,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,56H,4-16,18-19,21-24,26,28-55H2,1-3H3/b20-17-,27-25-/t56-/m0/s1",SDBSYLMJMSWVJK,KIMIJDTCSA,N,TG(14:0/22:0/20:2n6),SDBSYLMJMSWVJK-KIMIJDTCSA-N
HMDB42229,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,56H,4-16,18-19,21-24,26,28-31,33,35-55H2,1-3H3/b20-17-,27-25-,34-32-/t56-/m0/s1",BGWVNFQYBCIHLB,AHNFPAPLSA,N,TG(14:0/22:0/20:3n6),BGWVNFQYBCIHLB-AHNFPAPLSA-N
HMDB42230,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,40,43,56H,4-16,18-19,21-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b20-17-,27-25-,34-32-,43-40-/t56-/m0/s1",ILLXDUUHLGVIKB,QEXZQKHESA,N,"TG(14:0/22:0/20:4(5Z,8Z,11Z,14Z))",ILLXDUUHLGVIKB-QEXZQKHESA-N
HMDB42231,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,58H,4-15,17-18,20-23,25,27-57H2,1-3H3/b19-16-,26-24-/t58-/m0/s1",NFQQJRGJJVQGAV,QJPSUNIMSA,N,"TG(14:0/22:0/22:2(13Z,16Z))",NFQQJRGJJVQGAV-QJPSUNIMSA-N
HMDB42232,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,36,39,58H,4-15,17-18,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,26-24-,32-30-,39-36-/t58-/m0/s1",OWUCYMBXHHXZRL,PYJJMNJSSA,N,"TG(14:0/22:0/22:4(7Z,10Z,13Z,16Z))",OWUCYMBXHHXZRL-PYJJMNJSSA-N
HMDB42233,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,36,39,45,48,58H,4-15,17-18,20-23,25,27-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,26-24-,32-30-,39-36-,48-45-/t58-/m0/s1",CJTLGWXYBANXBH,FKDUYNIKSA,N,"TG(14:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",CJTLGWXYBANXBH-FKDUYNIKSA-N
HMDB42234,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-53H2,1-3H3/b11-8-,20-17-,30-25-/t54-/m0/s1",RYZULKIDHZXLHX,SKOKRVOXSA,N,"TG(14:0/22:0/18:3(9Z,12Z,15Z))",RYZULKIDHZXLHX-SKOKRVOXSA-N
HMDB42235,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,35,38,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,30-25-,38-35-/t54-/m0/s1",JADYBVKYENQSPF,STNIKBRNSA,N,"TG(14:0/22:0/18:4(6Z,9Z,12Z,15Z))",JADYBVKYENQSPF-STNIKBRNSA-N
HMDB42236,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,56H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-55H2,1-3H3/b11-8-,20-17-,27-25-,34-32-/t56-/m0/s1",XVSLGENSUSMOAE,VXOXVNMSSA,N,"TG(14:0/22:0/20:4(8Z,11Z,14Z,17Z))",XVSLGENSUSMOAE-VXOXVNMSSA-N
HMDB42237,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,40,43,56H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,27-25-,34-32-,43-40-/t56-/m0/s1",RAJKIWOVIRDLPG,GEDCGXLMSA,N,"TG(14:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",RAJKIWOVIRDLPG-GEDCGXLMSA-N
HMDB42238,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,39-36-/t58-/m0/s1",ZXJSFJWAZMQHIU,PEUBLKEASA,N,"TG(14:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",ZXJSFJWAZMQHIU-PEUBLKEASA-N
HMDB42239,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,39-36-,48-45-/t58-/m0/s1",XHGAOOQYUYKWEC,CXDKEEILSA,N,"TG(14:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XHGAOOQYUYKWEC-CXDKEEILSA-N
HMDB42240,876.850976706,C57H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m1/s1",YIZMLCVKBQCOEF,KZRJWCEASA,N,TG(14:0/22:0/o-18:0),YIZMLCVKBQCOEF-KZRJWCEASA-N
HMDB42241,862.798941124,C55H106O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3/h52H,4-51H2,1-3H3",MHEXZWNLHSJWEI,UHFFFAOYSA,N,TG(14:0/24:0/14:0),MHEXZWNLHSJWEI-UHFFFAOYSA-N
HMDB42242,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1",UKXLAFSXBGWUIJ,DTSDQNDWSA,N,TG(14:0/24:0/15:0),UKXLAFSXBGWUIJ-DTSDQNDWSA-N
HMDB42243,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",NELDHDVNAGICFN,XSMLMOGHSA,N,TG(14:0/24:0/16:0),NELDHDVNAGICFN-XSMLMOGHSA-N
HMDB42244,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",JHXVWXLHONSYOV,UWGNJQTFSA,N,TG(14:0/24:0/18:0),JHXVWXLHONSYOV-UWGNJQTFSA-N
HMDB42245,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",TZUICAVHTAQCAQ,XKJQNMSGSA,N,TG(14:0/24:0/20:0),TZUICAVHTAQCAQ-XKJQNMSGSA-N
HMDB42246,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m0/s1",BJMBRFZFVJIVTI,WDLSKMLESA,N,TG(14:0/24:0/22:0),BJMBRFZFVJIVTI-WDLSKMLESA-N
HMDB42247,1002.955441777,C65H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3/t62-/m0/s1",NONCVCSSXAQCQX,PNVGIOEQSA,N,TG(14:0/24:0/24:0),NONCVCSSXAQCQX-PNVGIOEQSA-N
HMDB42248,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3/h14,17,52H,4-13,15-16,18-51H2,1-3H3/b17-14-/t52-/m1/s1",DHIGZXFZUINUQS,GZNJYCTJSA,N,TG(14:0/24:0/14:1(9Z)),DHIGZXFZUINUQS-GZNJYCTJSA-N
HMDB42249,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-/t54-/m0/s1",HPJWNEPHGPSMML,AEGUMOJNSA,N,TG(14:0/24:0/16:1(9Z)),HPJWNEPHGPSMML-AEGUMOJNSA-N
HMDB42250,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-/t56-/m0/s1",XOKFJRGPQQOMMF,SKYDHSLNSA,N,TG(14:0/24:0/18:1(11Z)),XOKFJRGPQQOMMF-SKYDHSLNSA-N
HMDB42251,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h25,32,56H,4-24,26-31,33-55H2,1-3H3/b32-25-/t56-/m0/s1",VCRFEZPIACRCNR,JAIQLVPXSA,N,TG(14:0/24:0/18:1(9Z)),VCRFEZPIACRCNR-JAIQLVPXSA-N
HMDB42252,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m0/s1",ICEHNKVZLSYUFT,YLFQOLFFSA,N,TG(14:0/24:0/20:1(11Z)),ICEHNKVZLSYUFT-YLFQOLFFSA-N
HMDB42253,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h25,27,34,36,42,45,58H,4-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b27-25-,36-34-,45-42-/t58-/m0/s1",LETIJHNTNHPKEB,UHHIIOKNSA,N,"TG(14:0/24:0/20:3(5Z,8Z,11Z))",LETIJHNTNHPKEB-UHHIIOKNSA-N
HMDB42254,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-/t60-/m0/s1",KWBNOUOFUVIQGL,HBFRPXMKSA,N,TG(14:0/24:0/22:1(13Z)),KWBNOUOFUVIQGL-HBFRPXMKSA-N
HMDB42255,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,62H,4-23,25,27-61H2,1-3H3/b26-24-/t62-/m0/s1",BJLHUCQKVPCQGU,ZMHCJWALSA,N,TG(14:0/24:0/24:1(15Z)),BJLHUCQKVPCQGU-ZMHCJWALSA-N
HMDB42256,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,25,32,56H,4-16,18-19,21-24,26-31,33-55H2,1-3H3/b20-17-,32-25-/t56-/m0/s1",LWNAPQADTXCNTE,VGDHFZSHSA,N,"TG(14:0/24:0/18:2(9Z,12Z))",LWNAPQADTXCNTE-VGDHFZSHSA-N
HMDB42257,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,25,32,37,40,56H,4-16,18-19,21-24,26-31,33-36,38-39,41-55H2,1-3H3/b20-17-,32-25-,40-37-/t56-/m0/s1",NQUJIYQYCKVDLY,MFLMWTOXSA,N,"TG(14:0/24:0/18:3(6Z,9Z,12Z))",NQUJIYQYCKVDLY-MFLMWTOXSA-N
HMDB42258,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,58H,4-16,18-19,21-24,26,28-57H2,1-3H3/b20-17-,27-25-/t58-/m0/s1",CUQAJKYGEQUKMM,GEHBLPSASA,N,TG(14:0/24:0/20:2n6),CUQAJKYGEQUKMM-GEHBLPSASA-N
HMDB42259,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,34,36,58H,4-16,18-19,21-24,26,28-33,35,37-57H2,1-3H3/b20-17-,27-25-,36-34-/t58-/m0/s1",ZXABCMZUYUPINF,TVCAPLPFSA,N,TG(14:0/24:0/20:3n6),ZXABCMZUYUPINF-TVCAPLPFSA-N
HMDB42260,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,34,36,42,45,58H,4-16,18-19,21-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b20-17-,27-25-,36-34-,45-42-/t58-/m0/s1",ZRUKEJWPGFFHOE,SNNTZUALSA,N,"TG(14:0/24:0/20:4(5Z,8Z,11Z,14Z))",ZRUKEJWPGFFHOE-SNNTZUALSA-N
HMDB42261,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,60H,4-16,18-19,21-24,26,28-59H2,1-3H3/b20-17-,27-25-/t60-/m0/s1",NDJUOSGUPZFLID,PUAIEPDKSA,N,"TG(14:0/24:0/22:2(13Z,16Z))",NDJUOSGUPZFLID-PUAIEPDKSA-N
HMDB42262,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,38,41,60H,4-16,18-19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b20-17-,27-25-,34-32-,41-38-/t60-/m0/s1",ZBAKDZKUJDNKLJ,UIFJXNOLSA,N,"TG(14:0/24:0/22:4(7Z,10Z,13Z,16Z))",ZBAKDZKUJDNKLJ-UIFJXNOLSA-N
HMDB42263,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,38,41,47,50,60H,4-16,18-19,21-24,26,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b20-17-,27-25-,34-32-,41-38-,50-47-/t60-/m0/s1",LJKKMUUFGNOAAL,PAPTWNMMSA,N,"TG(14:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",LJKKMUUFGNOAAL-PAPTWNMMSA-N
HMDB42264,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-55H2,1-3H3/b11-8-,20-17-,32-25-/t56-/m0/s1",OGHTZARCSINICA,UMAQAMSVSA,N,"TG(14:0/24:0/18:3(9Z,12Z,15Z))",OGHTZARCSINICA-UMAQAMSVSA-N
HMDB42265,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,37,40,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,32-25-,40-37-/t56-/m0/s1",GMHGKTCXPRWVIW,KQAVSVCRSA,N,"TG(14:0/24:0/18:4(6Z,9Z,12Z,15Z))",GMHGKTCXPRWVIW-KQAVSVCRSA-N
HMDB42266,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,34,36,58H,4-7,9-10,12-16,18-19,21-24,26,28-33,35,37-57H2,1-3H3/b11-8-,20-17-,27-25-,36-34-/t58-/m0/s1",BYFGMMQHMLHSEK,IQEITMBBSA,N,"TG(14:0/24:0/20:4(8Z,11Z,14Z,17Z))",BYFGMMQHMLHSEK-IQEITMBBSA-N
HMDB42267,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,34,36,42,45,58H,4-7,9-10,12-16,18-19,21-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,27-25-,36-34-,45-42-/t58-/m0/s1",VIQJEIGPUZEBHP,HGHCTWIISA,N,"TG(14:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",VIQJEIGPUZEBHP-HGHCTWIISA-N
HMDB42268,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,38,41,60H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,20-17-,27-25-,34-32-,41-38-/t60-/m0/s1",IYXYOIWMWJMTGN,QYNAZUPGSA,N,"TG(14:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",IYXYOIWMWJMTGN-QYNAZUPGSA-N
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HMDB42270,904.882276835,C59H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m1/s1",NJCPJJJHOIEXHC,ODEQYEIHSA,N,TG(14:0/24:0/o-18:0),NJCPJJJHOIEXHC-ODEQYEIHSA-N
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HMDB42309,774.673740618,C49H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h19-20,22-23,46H,4-18,21,24-45H2,1-3H3/b22-19-,23-20-/t46-/m0/s1",XUEMVUXNOCIHLG,ZTJIGJDTSA,N,TG(14:0/16:1(9Z)/16:1(9Z)),XUEMVUXNOCIHLG-ZTJIGJDTSA-N
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HMDB42315,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h20,23-25,54H,4-19,21-22,26-53H2,1-3H3/b23-20-,25-24-/t54-/m0/s1",FHERGHJOFDWNIA,MXGJYYPSSA,N,TG(14:0/16:1(9Z)/24:1(15Z)),FHERGHJOFDWNIA-MXGJYYPSSA-N
HMDB42316,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23-25,48H,4-15,17-18,21-22,26-47H2,1-3H3/b19-16-,23-20-,25-24-/t48-/m0/s1",IWSNEFQVYNGXGZ,ZWSZJGPESA,N,"TG(14:0/16:1(9Z)/18:2(9Z,12Z))",IWSNEFQVYNGXGZ-ZWSZJGPESA-N
HMDB42317,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23-25,29,32,48H,4-15,17-18,21-22,26-28,30-31,33-47H2,1-3H3/b19-16-,23-20-,25-24-,32-29-/t48-/m0/s1",MBKZQWBNVBZDCB,ISUKPBISSA,N,"TG(14:0/16:1(9Z)/18:3(6Z,9Z,12Z))",MBKZQWBNVBZDCB-ISUKPBISSA-N
HMDB42318,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,50H,4-15,17-18,21-22,26-49H2,1-3H3/b19-16-,23-20-,25-24-/t50-/m0/s1",QCEMLZQSNJUFFH,YLFLZVBXSA,N,TG(14:0/16:1(9Z)/20:2n6),QCEMLZQSNJUFFH-YLFLZVBXSA-N
HMDB42319,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,50H,4-15,17-18,21-22,26,28,30-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-/t50-/m0/s1",VZAVZRSRDZQJRY,YZRFHVQASA,N,TG(14:0/16:1(9Z)/20:3n6),VZAVZRSRDZQJRY-YZRFHVQASA-N
HMDB42320,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,34,37,50H,4-15,17-18,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-,37-34-/t50-/m0/s1",KPMIQCTUYTXDSW,DYDTYJAISA,N,"TG(14:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",KPMIQCTUYTXDSW-DYDTYJAISA-N
HMDB42321,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,52H,4-15,17-18,21-22,26-51H2,1-3H3/b19-16-,23-20-,25-24-/t52-/m0/s1",FICVIOYVXOEZEN,QPRILOHKSA,N,"TG(14:0/16:1(9Z)/22:2(13Z,16Z))",FICVIOYVXOEZEN-QPRILOHKSA-N
HMDB42322,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,33,52H,4-15,17-18,21-22,26,29-30,32,34-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,33-31-/t52-/m0/s1",XOVZBEYRPDKHAL,OOBFHMLASA,N,"TG(14:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",XOVZBEYRPDKHAL-OOBFHMLASA-N
HMDB42323,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,33,39,42,52H,4-15,17-18,21-22,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,33-31-,42-39-/t52-/m0/s1",WOVSOPUJECHRNY,DWVJVMJVSA,N,"TG(14:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WOVSOPUJECHRNY-DWVJVMJVSA-N
HMDB42324,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,48H,4-6,8-9,11-15,17-18,21-22,26-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-/t48-/m0/s1",YADAGWFRJZDFQR,NGYNEUHUSA,N,"TG(14:0/16:1(9Z)/18:3(9Z,12Z,15Z))",YADAGWFRJZDFQR-NGYNEUHUSA-N
HMDB42325,796.658090554,C51H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,29,32,48H,4-6,8-9,11-15,17-18,21-22,26-28,30-31,33-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,32-29-/t48-/m0/s1",YURZMLNQYDXMPP,NZGUABIASA,N,"TG(14:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",YURZMLNQYDXMPP-NZGUABIASA-N
HMDB42326,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-/t50-/m0/s1",DXXQBFLJQXUGKI,XNHODMNWSA,N,"TG(14:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",DXXQBFLJQXUGKI-XNHODMNWSA-N
HMDB42327,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,34,37,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-,37-34-/t50-/m0/s1",MZIBEZJUHBXEJQ,PDIIZDKVSA,N,"TG(14:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MZIBEZJUHBXEJQ-PDIIZDKVSA-N
HMDB42328,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,33,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32,34-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,33-31-/t52-/m0/s1",ZAYMEVRJXHILRU,GSZKIVKTSA,N,"TG(14:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZAYMEVRJXHILRU-GSZKIVKTSA-N
HMDB42329,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,33,39,42,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,33-31-,42-39-/t52-/m0/s1",VZGVNGYRUWCXSM,MVXLFULMSA,N,"TG(14:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VZGVNGYRUWCXSM-MVXLFULMSA-N
HMDB42330,790.741426256,C51H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H98O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(48-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-/t49-/m1/s1",FAAFHQFZPIFMNZ,KMTXBVSESA,N,TG(14:0/16:1(9Z)/o-18:0),FAAFHQFZPIFMNZ-KMTXBVSESA-N
HMDB42331,776.689390676,C49H92O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-",YMILGBKZJDMLKJ,QOCHGBHMSA,N,TG(14:0/18:1(11Z)/14:0),YMILGBKZJDMLKJ-QOCHGBHMSA-N
HMDB42332,790.705040747,C50H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-/t47-/m0/s1",PXGDUMOVQBONPM,KWLHUJJFSA,N,TG(14:0/18:1(11Z)/15:0),PXGDUMOVQBONPM-KWLHUJJFSA-N
HMDB42333,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,48H,4-18,20-21,23-47H2,1-3H3/b22-19-/t48-/m0/s1",NKXSKVJFHIQXOO,DLOIZKPKSA,N,TG(14:0/18:1(11Z)/16:0),NKXSKVJFHIQXOO-DLOIZKPKSA-N
HMDB42334,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-/t50-/m0/s1",XOOWHGZNMQLAPI,YVMYVILJSA,N,TG(14:0/18:1(11Z)/18:0),XOOWHGZNMQLAPI-YVMYVILJSA-N
HMDB42335,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-/t52-/m0/s1",HQALUAKBJBLRLA,JDFQBTJKSA,N,TG(14:0/18:1(11Z)/20:0),HQALUAKBJBLRLA-JDFQBTJKSA-N
HMDB42336,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-/t54-/m0/s1",JNAGPKIFCRPVFY,AEGUMOJNSA,N,TG(14:0/18:1(11Z)/22:0),JNAGPKIFCRPVFY-AEGUMOJNSA-N
HMDB42337,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-/t56-/m0/s1",NZEDZJHGVGEWRO,SKYDHSLNSA,N,TG(14:0/18:1(11Z)/24:0),NZEDZJHGVGEWRO-SKYDHSLNSA-N
HMDB42338,774.673740618,C49H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14,17,19,22,46H,4-13,15-16,18,20-21,23-45H2,1-3H3/b17-14-,22-19-/t46-/m1/s1",DCLOUXMNYUICTK,WIKAOFMLSA,N,TG(14:0/18:1(11Z)/14:1(9Z)),DCLOUXMNYUICTK-WIKAOFMLSA-N
HMDB42339,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,48H,4-18,21,24-47H2,1-3H3/b22-19-,23-20-/t48-/m0/s1",VOPGNDGERQMMJW,ALPLOHNWSA,N,TG(14:0/18:1(11Z)/16:1(9Z)),VOPGNDGERQMMJW-ALPLOHNWSA-N
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HMDB42341,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23-24,26,50H,4-19,21-22,25,27-49H2,1-3H3/b23-20-,26-24-/t50-/m0/s1",DBGZDMUYEDGFSX,SXXJBCNSSA,N,TG(14:0/18:1(11Z)/18:1(9Z)),DBGZDMUYEDGFSX-SXXJBCNSSA-N
HMDB42342,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,52H,4-19,21-22,25,27-51H2,1-3H3/b23-20-,26-24-/t52-/m0/s1",ZDILMGMDQXDWTI,NIHCBMJSSA,N,TG(14:0/18:1(11Z)/20:1(11Z)),ZDILMGMDQXDWTI-NIHCBMJSSA-N
HMDB42343,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,29-30,36,39,52H,4-19,21-22,25,27-28,31-35,37-38,40-51H2,1-3H3/b23-20-,26-24-,30-29-,39-36-/t52-/m0/s1",AFEPZECSQQVNCD,QJOGKFJNSA,N,"TG(14:0/18:1(11Z)/20:3(5Z,8Z,11Z))",AFEPZECSQQVNCD-QJOGKFJNSA-N
HMDB42344,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h20,23-24,26,54H,4-19,21-22,25,27-53H2,1-3H3/b23-20-,26-24-/t54-/m0/s1",BRGLQGBEVJMEJX,LPWTYNHDSA,N,TG(14:0/18:1(11Z)/22:1(13Z)),BRGLQGBEVJMEJX-LPWTYNHDSA-N
HMDB42345,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h20,23-24,26,56H,4-19,21-22,25,27-55H2,1-3H3/b23-20-,26-24-/t56-/m0/s1",XMQODCFBJXQBDV,FRHRWYISSA,N,TG(14:0/18:1(11Z)/24:1(15Z)),XMQODCFBJXQBDV-FRHRWYISSA-N
HMDB42346,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,50H,4-15,17-18,21-22,25,27-49H2,1-3H3/b19-16-,23-20-,26-24-/t50-/m0/s1",WMRFWQWKHSKIDP,DCNUJFAMSA,N,"TG(14:0/18:1(11Z)/18:2(9Z,12Z))",WMRFWQWKHSKIDP-DCNUJFAMSA-N
HMDB42347,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,31,34,50H,4-15,17-18,21-22,25,27-30,32-33,35-49H2,1-3H3/b19-16-,23-20-,26-24-,34-31-/t50-/m0/s1",WWBRZAPLWNNGTM,WHZRSWMJSA,N,"TG(14:0/18:1(11Z)/18:3(6Z,9Z,12Z))",WWBRZAPLWNNGTM-WHZRSWMJSA-N
HMDB42348,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,52H,4-15,17-18,21-22,25,27-51H2,1-3H3/b19-16-,23-20-,26-24-/t52-/m0/s1",BVZUJVWCCYACND,RFTPNAAMSA,N,TG(14:0/18:1(11Z)/20:2n6),BVZUJVWCCYACND-RFTPNAAMSA-N
HMDB42349,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29-30,52H,4-15,17-18,21-22,25,27-28,31-51H2,1-3H3/b19-16-,23-20-,26-24-,30-29-/t52-/m0/s1",BAIBTFWRSBEYGH,ZYFYFRAQSA,N,TG(14:0/18:1(11Z)/20:3n6),BAIBTFWRSBEYGH-ZYFYFRAQSA-N
HMDB42350,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29-30,36,39,52H,4-15,17-18,21-22,25,27-28,31-35,37-38,40-51H2,1-3H3/b19-16-,23-20-,26-24-,30-29-,39-36-/t52-/m0/s1",AMPQNKRQIPPNFC,JUFFAWNHSA,N,"TG(14:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",AMPQNKRQIPPNFC-JUFFAWNHSA-N
HMDB42351,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,54H,4-15,17-18,21-22,25,27-53H2,1-3H3/b19-16-,23-20-,26-24-/t54-/m0/s1",JBBJXVATNOPWNT,CGBZTZCNSA,N,"TG(14:0/18:1(11Z)/22:2(13Z,16Z))",JBBJXVATNOPWNT-CGBZTZCNSA-N
HMDB42352,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,32,35,54H,4-15,17-18,21-22,25,27,30-31,33-34,36-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,35-32-/t54-/m0/s1",XLTDBJCJNQRMTH,GJPBRVKDSA,N,"TG(14:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",XLTDBJCJNQRMTH-GJPBRVKDSA-N
HMDB42353,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,32,35,41,44,54H,4-15,17-18,21-22,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,35-32-,44-41-/t54-/m0/s1",KNOMKHJBSKKRMI,SCAQGEIPSA,N,"TG(14:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KNOMKHJBSKKRMI-SCAQGEIPSA-N
HMDB42354,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,50H,4-6,8-9,11-15,17-18,21-22,25,27-49H2,1-3H3/b10-7-,19-16-,23-20-,26-24-/t50-/m0/s1",AOQKDLFEQBYIQI,PMPRBEIDSA,N,"TG(14:0/18:1(11Z)/18:3(9Z,12Z,15Z))",AOQKDLFEQBYIQI-PMPRBEIDSA-N
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HMDB42391,804.720690804,C51H96O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h23-24,48H,4-22,25-47H2,1-3H3/b24-23-",HQZSHEVJKNKKTA,VHXPQNKSSA,N,TG(14:0/20:1(11Z)/14:0),HQZSHEVJKNKKTA-VHXPQNKSSA-N
HMDB42392,818.736340868,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h24-25,49H,4-23,26-48H2,1-3H3/b25-24-/t49-/m0/s1",LJWLZNNKGFHCMA,AHTWSVOLSA,N,TG(14:0/20:1(11Z)/15:0),LJWLZNNKGFHCMA-AHTWSVOLSA-N
HMDB42393,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h24-25,50H,4-23,26-49H2,1-3H3/b25-24-/t50-/m0/s1",KMFKKCLYGUPZBQ,WTDFYVPFSA,N,TG(14:0/20:1(11Z)/16:0),KMFKKCLYGUPZBQ-WTDFYVPFSA-N
HMDB42394,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h24,26,52H,4-23,25,27-51H2,1-3H3/b26-24-/t52-/m0/s1",ZGHCEBVCTHQVOA,QYJPBPLVSA,N,TG(14:0/20:1(11Z)/18:0),ZGHCEBVCTHQVOA-QYJPBPLVSA-N
HMDB42395,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-/t54-/m0/s1",JOYRTBZPFLTFIB,SEDDCBKKSA,N,TG(14:0/20:1(11Z)/20:0),JOYRTBZPFLTFIB-SEDDCBKKSA-N
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HMDB42397,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m0/s1",QJJIFHSDDGWCDE,YLFQOLFFSA,N,TG(14:0/20:1(11Z)/24:0),QJJIFHSDDGWCDE-YLFQOLFFSA-N
HMDB42398,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,17,23-24,48H,4-13,15-16,18-22,25-47H2,1-3H3/b17-14-,24-23-/t48-/m1/s1",WPJVPJFAOKARNK,ATGBZQAISA,N,TG(14:0/20:1(11Z)/14:1(9Z)),WPJVPJFAOKARNK-ATGBZQAISA-N
HMDB42399,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23-25,50H,4-19,21-22,26-49H2,1-3H3/b23-20-,25-24-/t50-/m0/s1",XOXCIYZUTMMURI,HISZCDFUSA,N,TG(14:0/20:1(11Z)/16:1(9Z)),XOXCIYZUTMMURI-HISZCDFUSA-N
HMDB42400,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,52H,4-19,21-22,25,27-51H2,1-3H3/b23-20-,26-24-/t52-/m0/s1",FAJGKWNDCFTJFD,NIHCBMJSSA,N,TG(14:0/20:1(11Z)/18:1(11Z)),FAJGKWNDCFTJFD-NIHCBMJSSA-N
HMDB42401,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h24-26,28,52H,4-23,27,29-51H2,1-3H3/b26-24-,28-25-/t52-/m0/s1",AISVZDAAEGWCJC,DZEPMMRRSA,N,TG(14:0/20:1(11Z)/18:1(9Z)),AISVZDAAEGWCJC-DZEPMMRRSA-N
HMDB42402,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,54H,4-23,28-53H2,1-3H3/b26-24-,27-25-/t54-/m0/s1",DQXHESFTNHULCI,ATDLBYGZSA,N,TG(14:0/20:1(11Z)/20:1(11Z)),DQXHESFTNHULCI-ATDLBYGZSA-N
HMDB42403,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30,32,38,41,54H,4-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b26-24-,27-25-,32-30-,41-38-/t54-/m0/s1",MSCHPHKYTIAZQI,YRNGPHGYSA,N,"TG(14:0/20:1(11Z)/20:3(5Z,8Z,11Z))",MSCHPHKYTIAZQI-YRNGPHGYSA-N
HMDB42404,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h24-27,56H,4-23,28-55H2,1-3H3/b26-24-,27-25-/t56-/m0/s1",AYBAPOVPJJUOKS,XWDCVAGASA,N,TG(14:0/20:1(11Z)/22:1(13Z)),AYBAPOVPJJUOKS-XWDCVAGASA-N
HMDB42405,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h24-27,58H,4-23,28-57H2,1-3H3/b26-24-,27-25-/t58-/m0/s1",ZIESYZCKIBNJDP,SUORVOMPSA,N,TG(14:0/20:1(11Z)/24:1(15Z)),ZIESYZCKIBNJDP-SUORVOMPSA-N
HMDB42406,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28,52H,4-16,18-19,21-23,27,29-51H2,1-3H3/b20-17-,26-24-,28-25-/t52-/m0/s1",UOGFRTWKEGEEJU,GZAUDGQBSA,N,"TG(14:0/20:1(11Z)/18:2(9Z,12Z))",UOGFRTWKEGEEJU-GZAUDGQBSA-N
HMDB42407,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28,33,36,52H,4-16,18-19,21-23,27,29-32,34-35,37-51H2,1-3H3/b20-17-,26-24-,28-25-,36-33-/t52-/m0/s1",HQUVBRKTMKMVJI,UOORZCPPSA,N,"TG(14:0/20:1(11Z)/18:3(6Z,9Z,12Z))",HQUVBRKTMKMVJI-UOORZCPPSA-N
HMDB42408,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,54H,4-15,17-18,20-23,28-53H2,1-3H3/b19-16-,26-24-,27-25-/t54-/m0/s1",BLFWZVXARGMXGK,BSXLTLLISA,N,TG(14:0/20:1(11Z)/20:2n6),BLFWZVXARGMXGK-BSXLTLLISA-N
HMDB42409,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,54H,4-15,17-18,20-23,28-29,31,33-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-/t54-/m0/s1",PEGBVZIRKWFBAT,JRYSQXLCSA,N,TG(14:0/20:1(11Z)/20:3n6),PEGBVZIRKWFBAT-JRYSQXLCSA-N
HMDB42410,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,38,41,54H,4-15,17-18,20-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,41-38-/t54-/m0/s1",YJIQPDYUKSNQSN,HVVTZQISSA,N,"TG(14:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",YJIQPDYUKSNQSN-HVVTZQISSA-N
HMDB42411,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,56H,4-15,17-18,20-23,28-55H2,1-3H3/b19-16-,26-24-,27-25-/t56-/m0/s1",KFNJHCGHCLZZAS,VERBRUMSSA,N,"TG(14:0/20:1(11Z)/22:2(13Z,16Z))",KFNJHCGHCLZZAS-VERBRUMSSA-N
HMDB42412,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,34,37,56H,4-15,17-18,20-23,28,30,32-33,35-36,38-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,37-34-/t56-/m0/s1",YYJWUXUSXVWECF,JKENGCAOSA,N,"TG(14:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",YYJWUXUSXVWECF-JKENGCAOSA-N
HMDB42413,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,34,37,43,46,56H,4-15,17-18,20-23,28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,37-34-,46-43-/t56-/m0/s1",QSYUHCUTOJZEHH,LHJVVSEHSA,N,"TG(14:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QSYUHCUTOJZEHH-LHJVVSEHSA-N
HMDB42414,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28,52H,4-7,9-10,12-16,18-19,21-23,27,29-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-/t52-/m0/s1",JNQQFTFUQPSCCI,LNZFBCICSA,N,"TG(14:0/20:1(11Z)/18:3(9Z,12Z,15Z))",JNQQFTFUQPSCCI-LNZFBCICSA-N
HMDB42415,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28,33,36,52H,4-7,9-10,12-16,18-19,21-23,27,29-32,34-35,37-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,36-33-/t52-/m0/s1",LBUUFNMBIYFPRT,BITRGYHOSA,N,"TG(14:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",LBUUFNMBIYFPRT-BITRGYHOSA-N
HMDB42416,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,54H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-/t54-/m0/s1",JKPSHAYASLXJTD,HOEOXLNCSA,N,"TG(14:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",JKPSHAYASLXJTD-HOEOXLNCSA-N
HMDB42417,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,38,41,54H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,41-38-/t54-/m0/s1",GLOHBCHVPRPNOV,VBMABYCTSA,N,"TG(14:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",GLOHBCHVPRPNOV-VBMABYCTSA-N
HMDB42418,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,34,37,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,37-34-/t56-/m0/s1",LTDAYXRREDMQDW,SCRQPWOFSA,N,"TG(14:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LTDAYXRREDMQDW-SCRQPWOFSA-N
HMDB42419,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,37-34-,46-43-/t56-/m0/s1",CEUBQFLMBHJTAE,AINPSXNXSA,N,"TG(14:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CEUBQFLMBHJTAE-AINPSXNXSA-N
HMDB42420,846.804026513,C55H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,53H,4-23,25,27-52H2,1-3H3/b26-24-/t53-/m1/s1",FCJDZFKXHAYRRN,DUYOFIOMSA,N,TG(14:0/20:1(11Z)/o-18:0),FCJDZFKXHAYRRN-DUYOFIOMSA-N
HMDB42421,800.689390676,C51H92O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h23-24,26-27,33,36,48H,4-22,25,28-32,34-35,37-47H2,1-3H3/b24-23-,27-26-,36-33-",UKNAYHADESRCAS,OBAVHPNJSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/14:0)",UKNAYHADESRCAS-OBAVHPNJSA-N
HMDB42422,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h24-25,27-28,34,37,49H,4-23,26,29-33,35-36,38-48H2,1-3H3/b25-24-,28-27-,37-34-/t49-/m0/s1",BHDNGACXHZCMAT,ZLSOPLGRSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/15:0)",BHDNGACXHZCMAT-ZLSOPLGRSA-N
HMDB42423,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h24-25,27,29,35,38,50H,4-23,26,28,30-34,36-37,39-49H2,1-3H3/b25-24-,29-27-,38-35-/t50-/m0/s1",RNZCACXSTQQFRS,QIBYTZNASA,N,"TG(14:0/20:3(5Z,8Z,11Z)/16:0)",RNZCACXSTQQFRS-QIBYTZNASA-N
HMDB42424,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h24,26,29,31,37,40,52H,4-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b26-24-,31-29-,40-37-/t52-/m0/s1",VBYDXPQVGUJUTN,JSMSRUFTSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/18:0)",VBYDXPQVGUJUTN-JSMSRUFTSA-N
HMDB42425,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h25,27,31,33,39,42,54H,4-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b27-25-,33-31-,42-39-/t54-/m0/s1",RRKINLPZPZCTKA,LMZWPPTNSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/20:0)",RRKINLPZPZCTKA-LMZWPPTNSA-N
HMDB42426,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h25,27,33,35,41,44,56H,4-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b27-25-,35-33-,44-41-/t56-/m0/s1",WEYSBZYOEJCNNS,IGFZYNRTSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/22:0)",WEYSBZYOEJCNNS-IGFZYNRTSA-N
HMDB42427,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h25,27,35,37,43,46,58H,4-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b27-25-,37-35-,46-43-/t58-/m0/s1",LRUXRFQLJJKABR,NTRBDCRGSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/24:0)",LRUXRFQLJJKABR-NTRBDCRGSA-N
HMDB42428,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,17,23-24,26-27,33,36,48H,4-13,15-16,18-22,25,28-32,34-35,37-47H2,1-3H3/b17-14-,24-23-,27-26-,36-33-/t48-/m1/s1",PSYMEAYETASNQE,BUTBCIOGSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/14:1(9Z))",PSYMEAYETASNQE-BUTBCIOGSA-N
HMDB42429,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23-25,27,29,35,38,50H,4-19,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b23-20-,25-24-,29-27-,38-35-/t50-/m0/s1",MFTUTUDZGWZYTM,ARBHFDPXSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/16:1(9Z))",MFTUTUDZGWZYTM-ARBHFDPXSA-N
HMDB42430,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,29,31,37,40,52H,4-19,21-22,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b23-20-,26-24-,31-29-,40-37-/t52-/m0/s1",QETNDQJCULLNME,AHYKDTTCSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/18:1(11Z))",QETNDQJCULLNME-AHYKDTTCSA-N
HMDB42431,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h24-26,28-29,31,37,40,52H,4-23,27,30,32-36,38-39,41-51H2,1-3H3/b26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",KVJJKBZKJMJGKQ,YYUBTQGTSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/18:1(9Z))",KVJJKBZKJMJGKQ-YYUBTQGTSA-N
HMDB42432,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,31,33,39,42,54H,4-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b26-24-,27-25-,33-31-,42-39-/t54-/m0/s1",XGUAEFVIYUUGBB,SFLWHIISSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/20:1(11Z))",XGUAEFVIYUUGBB-SFLWHIISSA-N
HMDB42433,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30-33,38-39,41-42,54H,4-23,28-29,34-37,40,43-53H2,1-3H3/b26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",BKXUIIGVDGYNFG,VVCWLMKVSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",BKXUIIGVDGYNFG-VVCWLMKVSA-N
HMDB42434,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h24-27,33,35,41,44,56H,4-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b26-24-,27-25-,35-33-,44-41-/t56-/m0/s1",ACPMWKSJDCZDPV,GHRWUTBISA,N,"TG(14:0/20:3(5Z,8Z,11Z)/22:1(13Z))",ACPMWKSJDCZDPV-GHRWUTBISA-N
HMDB42435,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h24-27,35,37,43,46,58H,4-23,28-34,36,38-42,44-45,47-57H2,1-3H3/b26-24-,27-25-,37-35-,46-43-/t58-/m0/s1",TXWDWSJYGIFVKP,QTUURNJWSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/24:1(15Z))",TXWDWSJYGIFVKP-QTUURNJWSA-N
HMDB42436,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28-29,31,37,40,52H,4-16,18-19,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b20-17-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",QQWCQYWWJUBCHW,FOFSZCNFSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",QQWCQYWWJUBCHW-FOFSZCNFSA-N
HMDB42437,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28-29,31,33,36-37,40,52H,4-16,18-19,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b20-17-,26-24-,28-25-,31-29-,36-33-,40-37-/t52-/m0/s1",MAZOEYYTUAEZCJ,OTAVBVJSSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",MAZOEYYTUAEZCJ-OTAVBVJSSA-N
HMDB42438,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,31,33,39,42,54H,4-15,17-18,20-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b19-16-,26-24-,27-25-,33-31-,42-39-/t54-/m0/s1",WKYUVRSDBBUBSZ,FFQUBBCJSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/20:2n6)",WKYUVRSDBBUBSZ-FFQUBBCJSA-N
HMDB42439,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30-33,39,42,54H,4-15,17-18,20-23,28-29,34-38,40-41,43-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,33-31-,42-39-/t54-/m0/s1",XRHJFGFRQBWEQU,YVLZWGLESA,N,"TG(14:0/20:3(5Z,8Z,11Z)/20:3n6)",XRHJFGFRQBWEQU-YVLZWGLESA-N
HMDB42440,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30-33,38-39,41-42,54H,4-15,17-18,20-23,28-29,34-37,40,43-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",QXVODZZVQNFGGY,BJUDHHTDSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",QXVODZZVQNFGGY-BJUDHHTDSA-N
HMDB42441,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,33,35,41,44,56H,4-15,17-18,20-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b19-16-,26-24-,27-25-,35-33-,44-41-/t56-/m0/s1",OZVIKCNSSMDFJW,IVAVMHEJSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",OZVIKCNSSMDFJW-IVAVMHEJSA-N
HMDB42442,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,33-35,37,41,44,56H,4-15,17-18,20-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-/t56-/m0/s1",NSVNDBGAOUMEHL,JHVDKGIDSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",NSVNDBGAOUMEHL-JHVDKGIDSA-N
HMDB42443,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,33-35,37,41,43-44,46,56H,4-15,17-18,20-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-/t56-/m0/s1",GFUPUULBKPYREK,QLKKUNNLSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GFUPUULBKPYREK-QLKKUNNLSA-N
HMDB42444,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-29,31,37,40,52H,4-7,9-10,12-16,18-19,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",XSGQLICXHVHLIP,DFIZSLQJSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",XSGQLICXHVHLIP-DFIZSLQJSA-N
HMDB42445,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-29,31,33,36-37,40,52H,4-7,9-10,12-16,18-19,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-/t52-/m0/s1",HMDCWSMAQASQQA,KBDVRAPVSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",HMDCWSMAQASQQA-KBDVRAPVSA-N
HMDB42446,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30-33,39,42,54H,4-6,8-9,11-15,17-18,20-23,28-29,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,33-31-,42-39-/t54-/m0/s1",XQZHORWWMGIUNV,MTGAIHJTSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",XQZHORWWMGIUNV-MTGAIHJTSA-N
HMDB42447,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30-33,38-39,41-42,54H,4-6,8-9,11-15,17-18,20-23,28-29,34-37,40,43-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",RSPDNVQNEKLTKE,CBDBODGXSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RSPDNVQNEKLTKE-CBDBODGXSA-N
HMDB42448,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,33-35,37,41,44,56H,4-6,8-9,11-15,17-18,20-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-/t56-/m0/s1",CEGGCJHYHROKIE,HGTIWBKYSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CEGGCJHYHROKIE-HGTIWBKYSA-N
HMDB42449,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,8-9,11-15,17-18,20-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-/t56-/m0/s1",LDSWEOUGZDGWFT,JSUZTTPBSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LDSWEOUGZDGWFT-JSUZTTPBSA-N
HMDB42450,842.772726384,C55H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,29,31,37,40,53H,4-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b26-24-,31-29-,40-37-/t53-/m1/s1",VHTASOICTBAXTL,CEMHFFQRSA,N,"TG(14:0/20:3(5Z,8Z,11Z)/o-18:0)",VHTASOICTBAXTL-CEMHFFQRSA-N
HMDB42451,832.751990932,C53H100O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h23-24,50H,4-22,25-49H2,1-3H3/b24-23-",MHSVFJRDPZGERU,VHXPQNKSSA,N,TG(14:0/22:1(13Z)/14:0),MHSVFJRDPZGERU-VHXPQNKSSA-N
HMDB42452,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h24-25,51H,4-23,26-50H2,1-3H3/b25-24-/t51-/m0/s1",LHQXGAXTQZVWAA,SQWFITPDSA,N,TG(14:0/22:1(13Z)/15:0),LHQXGAXTQZVWAA-SQWFITPDSA-N
HMDB42453,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h24-25,52H,4-23,26-51H2,1-3H3/b25-24-/t52-/m0/s1",FVEHAPAYSZSHBQ,HUNVKYDPSA,N,TG(14:0/22:1(13Z)/16:0),FVEHAPAYSZSHBQ-HUNVKYDPSA-N
HMDB42454,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h24,26,54H,4-23,25,27-53H2,1-3H3/b26-24-/t54-/m0/s1",KTVQVVATLSBTAO,ULQCEOSSSA,N,TG(14:0/22:1(13Z)/18:0),KTVQVVATLSBTAO-ULQCEOSSSA-N
HMDB42455,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,56H,4-23,25,27-55H2,1-3H3/b26-24-/t56-/m0/s1",HLUWGRVFRNCPHH,LIZMGIQCSA,N,TG(14:0/22:1(13Z)/20:0),HLUWGRVFRNCPHH-LIZMGIQCSA-N
HMDB42456,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m0/s1",HLGMYGRTZADRLF,YLFQOLFFSA,N,TG(14:0/22:1(13Z)/22:0),HLGMYGRTZADRLF-YLFQOLFFSA-N
HMDB42457,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-/t60-/m0/s1",ABGAPQWSCYUSJV,HBFRPXMKSA,N,TG(14:0/22:1(13Z)/24:0),ABGAPQWSCYUSJV-HBFRPXMKSA-N
HMDB42458,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,17,23-24,50H,4-13,15-16,18-22,25-49H2,1-3H3/b17-14-,24-23-/t50-/m1/s1",JOWXEOWXZDXSSA,NCWIXMTMSA,N,TG(14:0/22:1(13Z)/14:1(9Z)),JOWXEOWXZDXSSA-NCWIXMTMSA-N
HMDB42459,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h20,23-25,52H,4-19,21-22,26-51H2,1-3H3/b23-20-,25-24-/t52-/m0/s1",KXFNMCKCRNOCFS,VKDKGOFISA,N,TG(14:0/22:1(13Z)/16:1(9Z)),KXFNMCKCRNOCFS-VKDKGOFISA-N
HMDB42460,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h20,23-24,26,54H,4-19,21-22,25,27-53H2,1-3H3/b23-20-,26-24-/t54-/m0/s1",ZJVOGGSSINNWEK,LPWTYNHDSA,N,TG(14:0/22:1(13Z)/18:1(11Z)),ZJVOGGSSINNWEK-LPWTYNHDSA-N
HMDB42461,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h24-26,30,54H,4-23,27-29,31-53H2,1-3H3/b26-24-,30-25-/t54-/m0/s1",UVIMPPULKOAZMI,LRTZKONZSA,N,TG(14:0/22:1(13Z)/18:1(9Z)),UVIMPPULKOAZMI-LRTZKONZSA-N
HMDB42462,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24-27,56H,4-23,28-55H2,1-3H3/b26-24-,27-25-/t56-/m0/s1",GKCAFLCQQIADCE,XWDCVAGASA,N,TG(14:0/22:1(13Z)/20:1(11Z)),GKCAFLCQQIADCE-XWDCVAGASA-N
HMDB42463,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24-27,32,34,40,43,56H,4-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b26-24-,27-25-,34-32-,43-40-/t56-/m0/s1",ZQAUYHHKSLQWAP,DVESYZGNSA,N,"TG(14:0/22:1(13Z)/20:3(5Z,8Z,11Z))",ZQAUYHHKSLQWAP-DVESYZGNSA-N
HMDB42464,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,58H,4-23,28-57H2,1-3H3/b26-24-,27-25-/t58-/m0/s1",UFZBCZHRQDOVGQ,SUORVOMPSA,N,TG(14:0/22:1(13Z)/22:1(13Z)),UFZBCZHRQDOVGQ-SUORVOMPSA-N
HMDB42465,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,60H,4-23,28-59H2,1-3H3/b26-24-,27-25-/t60-/m0/s1",JOLAYFVNYLLIOH,RFEPONRGSA,N,TG(14:0/22:1(13Z)/24:1(15Z)),JOLAYFVNYLLIOH-RFEPONRGSA-N
HMDB42466,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,24-26,30,54H,4-16,18-19,21-23,27-29,31-53H2,1-3H3/b20-17-,26-24-,30-25-/t54-/m0/s1",JSFLWCDRHPDCLD,HSDDVKJASA,N,"TG(14:0/22:1(13Z)/18:2(9Z,12Z))",JSFLWCDRHPDCLD-HSDDVKJASA-N
HMDB42467,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,24-26,30,35,38,54H,4-16,18-19,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b20-17-,26-24-,30-25-,38-35-/t54-/m0/s1",XHMARDUNPRBYKM,QGCRNVCTSA,N,"TG(14:0/22:1(13Z)/18:3(6Z,9Z,12Z))",XHMARDUNPRBYKM-QGCRNVCTSA-N
HMDB42468,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,56H,4-16,18-19,21-23,28-55H2,1-3H3/b20-17-,26-24-,27-25-/t56-/m0/s1",AYHKIIIFXYOQNR,RJEFIFODSA,N,TG(14:0/22:1(13Z)/20:2n6),AYHKIIIFXYOQNR-RJEFIFODSA-N
HMDB42469,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,56H,4-16,18-19,21-23,28-31,33,35-55H2,1-3H3/b20-17-,26-24-,27-25-,34-32-/t56-/m0/s1",CNTRJFKEAANLAX,ATLAEHFKSA,N,TG(14:0/22:1(13Z)/20:3n6),CNTRJFKEAANLAX-ATLAEHFKSA-N
HMDB42470,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,40,43,56H,4-16,18-19,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,43-40-/t56-/m0/s1",PJWNBIAQTWLHHA,XTUHALCDSA,N,"TG(14:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",PJWNBIAQTWLHHA-XTUHALCDSA-N
HMDB42471,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,58H,4-15,17-18,20-23,28-57H2,1-3H3/b19-16-,26-24-,27-25-/t58-/m0/s1",FXCUDDKMKYVUSX,VHNKQUBFSA,N,"TG(14:0/22:1(13Z)/22:2(13Z,16Z))",FXCUDDKMKYVUSX-VHNKQUBFSA-N
HMDB42472,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,36,39,58H,4-15,17-18,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,39-36-/t58-/m0/s1",NDYSJNXSSRKHCQ,LHDKJNFNSA,N,"TG(14:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",NDYSJNXSSRKHCQ-LHDKJNFNSA-N
HMDB42473,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,36,39,45,48,58H,4-15,17-18,20-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1",SRGFFDMKOOUFNP,HTFUIXRHSA,N,"TG(14:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SRGFFDMKOOUFNP-HTFUIXRHSA-N
HMDB42474,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-/t54-/m0/s1",MBGJURGZJWMMPU,IXGFBZFASA,N,"TG(14:0/22:1(13Z)/18:3(9Z,12Z,15Z))",MBGJURGZJWMMPU-IXGFBZFASA-N
HMDB42475,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,35,38,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-,38-35-/t54-/m0/s1",HPPGYJJKGFAKGA,TWHLFXJFSA,N,"TG(14:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",HPPGYJJKGFAKGA-TWHLFXJFSA-N
HMDB42476,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,56H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-/t56-/m0/s1",QORBJQVGRWIAJY,JPJRUTCRSA,N,"TG(14:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",QORBJQVGRWIAJY-JPJRUTCRSA-N
HMDB42477,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,40,43,56H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,43-40-/t56-/m0/s1",FKAXSXMTMSIBJF,YMRZGRCISA,N,"TG(14:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FKAXSXMTMSIBJF-YMRZGRCISA-N
HMDB42478,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,39-36-/t58-/m0/s1",BWRHWPKEVDDHLC,NYXGWGMTSA,N,"TG(14:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BWRHWPKEVDDHLC-NYXGWGMTSA-N
HMDB42479,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1",QMACFYMPMGHHMM,PDPSLGMHSA,N,"TG(14:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QMACFYMPMGHHMM-PDPSLGMHSA-N
HMDB42480,874.835326642,C57H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h24,26,55H,4-23,25,27-54H2,1-3H3/b26-24-/t55-/m1/s1",OWDZAXOWKQAOKC,NQFDQYIDSA,N,TG(14:0/22:1(13Z)/o-18:0),OWDZAXOWKQAOKC-NQFDQYIDSA-N
HMDB42481,860.78329106,C55H104O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3/h23-24,52H,4-22,25-51H2,1-3H3/b24-23-",GYQCEAQKZBVRTR,VHXPQNKSSA,N,TG(14:0/24:1(15Z)/14:0),GYQCEAQKZBVRTR-VHXPQNKSSA-N
HMDB42482,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h24-25,53H,4-23,26-52H2,1-3H3/b25-24-/t53-/m0/s1",MXYURWSOEWLARF,VYMJCRDDSA,N,TG(14:0/24:1(15Z)/15:0),MXYURWSOEWLARF-VYMJCRDDSA-N
HMDB42483,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h24-25,54H,4-23,26-53H2,1-3H3/b25-24-/t54-/m0/s1",ZALJSAZYHMHSGO,KAESFFBXSA,N,TG(14:0/24:1(15Z)/16:0),ZALJSAZYHMHSGO-KAESFFBXSA-N
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HMDB42487,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h25,27,62H,4-24,26,28-61H2,1-3H3/b27-25-/t62-/m0/s1",OSQWEWGNPZPOSU,SWQRNEPRSA,N,TG(14:0/24:1(15Z)/24:0),OSQWEWGNPZPOSU-SWQRNEPRSA-N
HMDB42488,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3/h14,17,23-24,52H,4-13,15-16,18-22,25-51H2,1-3H3/b17-14-,24-23-/t52-/m1/s1",XQSSPHWFZIOFFY,FWUGLOASSA,N,TG(14:0/24:1(15Z)/14:1(9Z)),XQSSPHWFZIOFFY-FWUGLOASSA-N
HMDB42489,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h20,23-25,54H,4-19,21-22,26-53H2,1-3H3/b23-20-,25-24-/t54-/m0/s1",PREXYDVQKKDJEV,MXGJYYPSSA,N,TG(14:0/24:1(15Z)/16:1(9Z)),PREXYDVQKKDJEV-MXGJYYPSSA-N
HMDB42490,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h20,23-24,26,56H,4-19,21-22,25,27-55H2,1-3H3/b23-20-,26-24-/t56-/m0/s1",OPXVSFLGAKIILH,FRHRWYISSA,N,TG(14:0/24:1(15Z)/18:1(11Z)),OPXVSFLGAKIILH-FRHRWYISSA-N
HMDB42491,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h24-26,32,56H,4-23,27-31,33-55H2,1-3H3/b26-24-,32-25-/t56-/m0/s1",VWLZYYAQPNZEAL,XEFQVAJMSA,N,TG(14:0/24:1(15Z)/18:1(9Z)),VWLZYYAQPNZEAL-XEFQVAJMSA-N
HMDB42492,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24-27,58H,4-23,28-57H2,1-3H3/b26-24-,27-25-/t58-/m0/s1",WZCFDZGLFKVTIF,SUORVOMPSA,N,TG(14:0/24:1(15Z)/20:1(11Z)),WZCFDZGLFKVTIF-SUORVOMPSA-N
HMDB42493,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24-27,34,36,42,45,58H,4-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b26-24-,27-25-,36-34-,45-42-/t58-/m0/s1",OWCXZEZUQYFXCK,XAHVMPOMSA,N,"TG(14:0/24:1(15Z)/20:3(5Z,8Z,11Z))",OWCXZEZUQYFXCK-XAHVMPOMSA-N
HMDB42494,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,60H,4-23,28-59H2,1-3H3/b26-24-,27-25-/t60-/m0/s1",UISYJGKZKOFBCP,RFEPONRGSA,N,TG(14:0/24:1(15Z)/22:1(13Z)),UISYJGKZKOFBCP-RFEPONRGSA-N
HMDB42495,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,62H,4-23,28-61H2,1-3H3/b26-24-,27-25-/t62-/m0/s1",NJPGORZRTFHZSE,PSTNONCKSA,N,TG(14:0/24:1(15Z)/24:1(15Z)),NJPGORZRTFHZSE-PSTNONCKSA-N
HMDB42496,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,24-26,32,56H,4-16,18-19,21-23,27-31,33-55H2,1-3H3/b20-17-,26-24-,32-25-/t56-/m0/s1",LKGILFXHIOEOKW,ZXWVAWLUSA,N,"TG(14:0/24:1(15Z)/18:2(9Z,12Z))",LKGILFXHIOEOKW-ZXWVAWLUSA-N
HMDB42497,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,24-26,32,37,40,56H,4-16,18-19,21-23,27-31,33-36,38-39,41-55H2,1-3H3/b20-17-,26-24-,32-25-,40-37-/t56-/m0/s1",PHLUJHPQXCIXAI,ILYMFOLJSA,N,"TG(14:0/24:1(15Z)/18:3(6Z,9Z,12Z))",PHLUJHPQXCIXAI-ILYMFOLJSA-N
HMDB42498,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,58H,4-16,18-19,21-23,28-57H2,1-3H3/b20-17-,26-24-,27-25-/t58-/m0/s1",CCKLWBNVDVDCFO,DMEANTDCSA,N,TG(14:0/24:1(15Z)/20:2n6),CCKLWBNVDVDCFO-DMEANTDCSA-N
HMDB42499,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,34,36,58H,4-16,18-19,21-23,28-33,35,37-57H2,1-3H3/b20-17-,26-24-,27-25-,36-34-/t58-/m0/s1",IGCRUOUEUMSKRE,IVOQZZDCSA,N,TG(14:0/24:1(15Z)/20:3n6),IGCRUOUEUMSKRE-IVOQZZDCSA-N
HMDB42500,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,34,36,42,45,58H,4-16,18-19,21-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b20-17-,26-24-,27-25-,36-34-,45-42-/t58-/m0/s1",XBYSDTAGXFIROY,JVSNDGBKSA,N,"TG(14:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",XBYSDTAGXFIROY-JVSNDGBKSA-N
HMDB42501,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,60H,4-16,18-19,21-23,28-59H2,1-3H3/b20-17-,26-24-,27-25-/t60-/m0/s1",GKMLPMONLVGROY,SOBCOFBWSA,N,"TG(14:0/24:1(15Z)/22:2(13Z,16Z))",GKMLPMONLVGROY-SOBCOFBWSA-N
HMDB42502,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,38,41,60H,4-16,18-19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,41-38-/t60-/m0/s1",HVJIYFSRIYNDPL,ASSRZALHSA,N,"TG(14:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",HVJIYFSRIYNDPL-ASSRZALHSA-N
HMDB42503,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,38,41,47,50,60H,4-16,18-19,21-23,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,41-38-,50-47-/t60-/m0/s1",SFMSLZCWXHIABM,JXIULSMESA,N,"TG(14:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SFMSLZCWXHIABM-JXIULSMESA-N
HMDB42504,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-/t56-/m0/s1",VXXXWQCSDCWOTA,XQUIPRQHSA,N,"TG(14:0/24:1(15Z)/18:3(9Z,12Z,15Z))",VXXXWQCSDCWOTA-XQUIPRQHSA-N
HMDB42505,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,37,40,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-,40-37-/t56-/m0/s1",FKXGOHKCFRUGGP,SJGFHCSESA,N,"TG(14:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",FKXGOHKCFRUGGP-SJGFHCSESA-N
HMDB42506,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,34,36,58H,4-7,9-10,12-16,18-19,21-23,28-33,35,37-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,36-34-/t58-/m0/s1",KNBOCOCMVAKWSL,VLCARUTBSA,N,"TG(14:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",KNBOCOCMVAKWSL-VLCARUTBSA-N
HMDB42507,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,34,36,42,45,58H,4-7,9-10,12-16,18-19,21-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,36-34-,45-42-/t58-/m0/s1",XKFOJKARQOXJGU,DVGWIRJQSA,N,"TG(14:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XKFOJKARQOXJGU-DVGWIRJQSA-N
HMDB42508,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,38,41,60H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,41-38-/t60-/m0/s1",FHNSFDXXUNMFHU,YRXPRKIZSA,N,"TG(14:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FHNSFDXXUNMFHU-YRXPRKIZSA-N
HMDB42509,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,38,41,47,50,60H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,41-38-,50-47-/t60-/m0/s1",RMDJYSFINLDBKC,JPPPPZQJSA,N,"TG(14:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RMDJYSFINLDBKC-JPPPPZQJSA-N
HMDB42510,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h24,26,57H,4-23,25,27-56H2,1-3H3/b26-24-/t57-/m1/s1",SXPXBKWZYGAMMR,LDEKSDTBSA,N,TG(14:0/24:1(15Z)/o-18:0),SXPXBKWZYGAMMR-LDEKSDTBSA-N
HMDB42511,774.673740618,C49H90O6,[H]C(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h16,19,23-24,46H,4-15,17-18,20-22,25-45H2,1-3H3/b19-16-,24-23-",GKDPKSOMRSXQES,FRIQFDFRSA,N,"TG(14:0/18:2(9Z,12Z)/14:0)",GKDPKSOMRSXQES-FRIQFDFRSA-N
HMDB42512,788.689390682,C50H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19,24-25,47H,4-15,17-18,20-23,26-46H2,1-3H3/b19-16-,25-24-/t47-/m0/s1",KUUOCIVKEIVFQH,KNTGKAQQSA,N,"TG(14:0/18:2(9Z,12Z)/15:0)",KUUOCIVKEIVFQH-KNTGKAQQSA-N
HMDB42513,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,24-25,48H,4-15,17-18,20-23,26-47H2,1-3H3/b19-16-,25-24-/t48-/m0/s1",PJIKUMPGWKUOMN,RGFFXGESSA,N,"TG(14:0/18:2(9Z,12Z)/16:0)",PJIKUMPGWKUOMN-RGFFXGESSA-N
HMDB42514,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,50H,4-16,18-19,21-24,26,28-49H2,1-3H3/b20-17-,27-25-/t50-/m0/s1",BEUSAPJTKLYWGD,KWTXMQEJSA,N,"TG(14:0/18:2(9Z,12Z)/18:0)",BEUSAPJTKLYWGD-KWTXMQEJSA-N
HMDB42515,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,52H,4-16,18-19,21-24,26-27,29-51H2,1-3H3/b20-17-,28-25-/t52-/m0/s1",TXMWKTABZBAJCW,WTTMJSKZSA,N,"TG(14:0/18:2(9Z,12Z)/20:0)",TXMWKTABZBAJCW-WTTMJSKZSA-N
HMDB42516,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h17,20,25,30,54H,4-16,18-19,21-24,26-29,31-53H2,1-3H3/b20-17-,30-25-/t54-/m0/s1",WUUWGORPQFKFQN,VOGNSCLKSA,N,"TG(14:0/18:2(9Z,12Z)/22:0)",WUUWGORPQFKFQN-VOGNSCLKSA-N
HMDB42517,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h17,20,25,32,56H,4-16,18-19,21-24,26-31,33-55H2,1-3H3/b20-17-,32-25-/t56-/m0/s1",AYBGGTUWOJKGTF,VGDHFZSHSA,N,"TG(14:0/18:2(9Z,12Z)/24:0)",AYBGGTUWOJKGTF-VGDHFZSHSA-N
HMDB42518,772.658090554,C49H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14,16-17,19,23-24,46H,4-13,15,18,20-22,25-45H2,1-3H3/b17-14-,19-16-,24-23-/t46-/m1/s1",ZUFAPRACJYXMLY,DGLXWDEDSA,N,"TG(14:0/18:2(9Z,12Z)/14:1(9Z))",ZUFAPRACJYXMLY-DGLXWDEDSA-N
HMDB42519,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23-25,48H,4-15,17-18,21-22,26-47H2,1-3H3/b19-16-,23-20-,25-24-/t48-/m0/s1",PUHFBSHCKGRISB,ZWSZJGPESA,N,"TG(14:0/18:2(9Z,12Z)/16:1(9Z))",PUHFBSHCKGRISB-ZWSZJGPESA-N
HMDB42520,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,19-20,22,25,27,50H,4-16,18,21,23-24,26,28-49H2,1-3H3/b20-17-,22-19-,27-25-/t50-/m0/s1",YFSGNVXPMXNPIJ,JJYIGQMHSA,N,"TG(14:0/18:2(9Z,12Z)/18:1(11Z))",YFSGNVXPMXNPIJ-JJYIGQMHSA-N
HMDB42521,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,50H,4-16,18-19,21-23,28-49H2,1-3H3/b20-17-,26-24-,27-25-/t50-/m0/s1",SSNIXBLJTLNQQJ,VSMMGTNQSA,N,"TG(14:0/18:2(9Z,12Z)/18:1(9Z))",SSNIXBLJTLNQQJ-VSMMGTNQSA-N
HMDB42522,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28,52H,4-16,18-19,21-23,27,29-51H2,1-3H3/b20-17-,26-24-,28-25-/t52-/m0/s1",DQXQIWIQYYEGLG,GZAUDGQBSA,N,"TG(14:0/18:2(9Z,12Z)/20:1(11Z))",DQXQIWIQYYEGLG-GZAUDGQBSA-N
HMDB42523,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28-30,36,39,52H,4-16,18-19,21-23,27,31-35,37-38,40-51H2,1-3H3/b20-17-,26-24-,28-25-,30-29-,39-36-/t52-/m0/s1",GZLQQXVVOPFZRE,BHOUWSDHSA,N,"TG(14:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",GZLQQXVVOPFZRE-BHOUWSDHSA-N
HMDB42524,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h17,20,24-26,30,54H,4-16,18-19,21-23,27-29,31-53H2,1-3H3/b20-17-,26-24-,30-25-/t54-/m0/s1",FUSQLYSSJGPWCI,HSDDVKJASA,N,"TG(14:0/18:2(9Z,12Z)/22:1(13Z))",FUSQLYSSJGPWCI-HSDDVKJASA-N
HMDB42525,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h17,20,24-26,32,56H,4-16,18-19,21-23,27-31,33-55H2,1-3H3/b20-17-,26-24-,32-25-/t56-/m0/s1",FXUWUXYSUMRLSE,ZXWVAWLUSA,N,"TG(14:0/18:2(9Z,12Z)/24:1(15Z))",FXUWUXYSUMRLSE-ZXWVAWLUSA-N
HMDB42526,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,50H,4-15,18,21-23,28-49H2,1-3H3/b19-16-,20-17-,26-24-,27-25-/t50-/m0/s1",UVOGHPPAYFAQIT,AVIDDATOSA,N,"TG(14:0/18:2(9Z,12Z)/18:2(9Z,12Z))",UVOGHPPAYFAQIT-AVIDDATOSA-N
HMDB42527,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31,34,50H,4-15,18,21-23,28-30,32-33,35-49H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-31-/t50-/m0/s1",HARDAMKUSDWFTH,YKQIVKJBSA,N,"TG(14:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",HARDAMKUSDWFTH-YKQIVKJBSA-N
HMDB42528,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28,52H,4-15,18,21-23,27,29-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-/t52-/m0/s1",WROLOLWFWWANQZ,ULHNGCIUSA,N,"TG(14:0/18:2(9Z,12Z)/20:2n6)",WROLOLWFWWANQZ-ULHNGCIUSA-N
HMDB42529,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,52H,4-15,18,21-23,27,31-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,30-29-/t52-/m0/s1",KRVDGBILMBJWGW,QEPIHLJKSA,N,"TG(14:0/18:2(9Z,12Z)/20:3n6)",KRVDGBILMBJWGW-QEPIHLJKSA-N
HMDB42530,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,36,39,52H,4-15,18,21-23,27,31-35,37-38,40-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,30-29-,39-36-/t52-/m0/s1",SSOSFUDNINFYLJ,RJRFBUGJSA,N,"TG(14:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",SSOSFUDNINFYLJ-RJRFBUGJSA-N
HMDB42531,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,30,54H,4-15,18,21-23,27-29,31-53H2,1-3H3/b19-16-,20-17-,26-24-,30-25-/t54-/m0/s1",PZHUYFBIXNXBLU,WTNQUSKBSA,N,"TG(14:0/18:2(9Z,12Z)/22:2(13Z,16Z))",PZHUYFBIXNXBLU-WTNQUSKBSA-N
HMDB42532,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,32,35,54H,4-15,18,21-23,27,31,33-34,36-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,35-32-/t54-/m0/s1",TXTFQSNMOAFCQE,WDKHAEKISA,N,"TG(14:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",TXTFQSNMOAFCQE-WDKHAEKISA-N
HMDB42533,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,32,35,41,44,54H,4-15,18,21-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,44-41-/t54-/m0/s1",NUNOGKJDWPXSOS,ARYBOBSOSA,N,"TG(14:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",NUNOGKJDWPXSOS-ARYBOBSOSA-N
HMDB42534,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,50H,4-6,8-9,11-15,18,21-23,28-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-/t50-/m0/s1",BVZCCLFFAYZNFZ,QLFKCXFRSA,N,"TG(14:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",BVZCCLFFAYZNFZ-QLFKCXFRSA-N
HMDB42535,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,31,34,50H,4-6,8-9,11-15,18,21-23,28-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,34-31-/t50-/m0/s1",GOCXMZRIIMLEKM,TVEQDLSESA,N,"TG(14:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",GOCXMZRIIMLEKM-TVEQDLSESA-N
HMDB42536,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,52H,4-6,8-9,11-15,18,21-23,27,31-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,30-29-/t52-/m0/s1",AJFDXSDCOOQJNJ,UWAYHRKFSA,N,"TG(14:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",AJFDXSDCOOQJNJ-UWAYHRKFSA-N
HMDB42537,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,36,39,52H,4-6,8-9,11-15,18,21-23,27,31-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,30-29-,39-36-/t52-/m0/s1",HBSSGNRKOFMPFF,KVABUKRHSA,N,"TG(14:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HBSSGNRKOFMPFF-KVABUKRHSA-N
HMDB42538,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,32,35,54H,4-6,8-9,11-15,18,21-23,27,31,33-34,36-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-/t54-/m0/s1",BZVAFPYESCJAEK,IGCCGBKMSA,N,"TG(14:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BZVAFPYESCJAEK-IGCCGBKMSA-N
HMDB42539,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,32,35,41,44,54H,4-6,8-9,11-15,18,21-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,44-41-/t54-/m0/s1",AINACBPMKQPREK,JNWVTVBCSA,N,"TG(14:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AINACBPMKQPREK-JNWVTVBCSA-N
HMDB42540,816.75707632,C53H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,51H,4-16,18-19,21-24,26,28-50H2,1-3H3/b20-17-,27-25-/t51-/m1/s1",MUUVIARTZNTGJS,CDRGWSHPSA,N,"TG(14:0/18:2(9Z,12Z)/o-18:0)",MUUVIARTZNTGJS-CDRGWSHPSA-N
HMDB42541,772.658090548,C49H88O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h16,19,23-24,28,31,46H,4-15,17-18,20-22,25-27,29-30,32-45H2,1-3H3/b19-16-,24-23-,31-28-",CGUPHGYKKZCVML,OFULDMQXSA,N,"TG(14:0/18:3(6Z,9Z,12Z)/14:0)",CGUPHGYKKZCVML-OFULDMQXSA-N
HMDB42542,786.673740618,C50H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19,24-25,29,32,47H,4-15,17-18,20-23,26-28,30-31,33-46H2,1-3H3/b19-16-,25-24-,32-29-/t47-/m0/s1",VDBIWDXJGABHIW,SNLXWWRNSA,N,"TG(14:0/18:3(6Z,9Z,12Z)/15:0)",VDBIWDXJGABHIW-SNLXWWRNSA-N
HMDB42543,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,24-25,30,33,48H,4-15,17-18,20-23,26-29,31-32,34-47H2,1-3H3/b19-16-,25-24-,33-30-/t48-/m0/s1",XZDIJHNUVVFKCB,WYJCIRHSSA,N,"TG(14:0/18:3(6Z,9Z,12Z)/16:0)",XZDIJHNUVVFKCB-WYJCIRHSSA-N
HMDB42544,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,35,50H,4-16,18-19,21-24,26,28-31,33-34,36-49H2,1-3H3/b20-17-,27-25-,35-32-/t50-/m0/s1",MKMWDFMEBLAFLB,BSOQDWHRSA,N,"TG(14:0/18:3(6Z,9Z,12Z)/18:0)",MKMWDFMEBLAFLB-BSOQDWHRSA-N
HMDB42545,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,34,37,52H,4-16,18-19,21-24,26-27,29-33,35-36,38-51H2,1-3H3/b20-17-,28-25-,37-34-/t52-/m0/s1",XOUODEXYIDULFE,IFLWFWKYSA,N,"TG(14:0/18:3(6Z,9Z,12Z)/20:0)",XOUODEXYIDULFE-IFLWFWKYSA-N
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HMDB42567,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,34,36-37,39,52H,4-6,8-9,11-15,18,21-23,27,31-33,35,38,40-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-/t52-/m0/s1",ITQOCWUGYYMSMJ,QUWRUFOISA,N,"TG(14:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ITQOCWUGYYMSMJ-QUWRUFOISA-N
HMDB42568,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,32,35-36,39,54H,4-6,8-9,11-15,18,21-23,27,31,33-34,37-38,40-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-/t54-/m0/s1",WDSJGMGSSBZBTA,RBFDJNIZSA,N,"TG(14:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WDSJGMGSSBZBTA-RBFDJNIZSA-N
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HMDB42574,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,52H,4-15,17-18,20-23,25,27-51H2,1-3H3/b19-16-,26-24-/t52-/m0/s1",MBEHLXRGSPJYOB,QZLSUQTPSA,N,TG(14:0/20:2n6/18:0),MBEHLXRGSPJYOB-QZLSUQTPSA-N
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HMDB42576,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,56H,4-16,18-19,21-24,26,28-55H2,1-3H3/b20-17-,27-25-/t56-/m0/s1",NKYCZRRSXYVTLB,KIMIJDTCSA,N,TG(14:0/20:2n6/22:0),NKYCZRRSXYVTLB-KIMIJDTCSA-N
HMDB42577,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,58H,4-16,18-19,21-24,26,28-57H2,1-3H3/b20-17-,27-25-/t58-/m0/s1",AREMZVRDXOGTHG,GEHBLPSASA,N,TG(14:0/20:2n6/24:0),AREMZVRDXOGTHG-GEHBLPSASA-N
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HMDB42579,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,50H,4-15,17-18,21-22,26-49H2,1-3H3/b19-16-,23-20-,25-24-/t50-/m0/s1",QXERFMRLXYIDAF,YLFLZVBXSA,N,TG(14:0/20:2n6/16:1(9Z)),QXERFMRLXYIDAF-YLFLZVBXSA-N
HMDB42580,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,52H,4-15,17-18,21-22,25,27-51H2,1-3H3/b19-16-,23-20-,26-24-/t52-/m0/s1",DZMOOAMBHOJSHY,RFTPNAAMSA,N,TG(14:0/20:2n6/18:1(11Z)),DZMOOAMBHOJSHY-RFTPNAAMSA-N
HMDB42581,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28,52H,4-15,17-18,20-23,27,29-51H2,1-3H3/b19-16-,26-24-,28-25-/t52-/m0/s1",CJNBEPRDDYRSPK,LOUZIDRQSA,N,TG(14:0/20:2n6/18:1(9Z)),CJNBEPRDDYRSPK-LOUZIDRQSA-N
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HMDB42587,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28,33,36,52H,4-15,18,21-23,27,29-32,34-35,37-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,36-33-/t52-/m0/s1",OPTZHODNQOBXMO,XAWCRNHYSA,N,"TG(14:0/20:2n6/18:3(6Z,9Z,12Z))",OPTZHODNQOBXMO-XAWCRNHYSA-N
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HMDB42590,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30,32,38,41,54H,4-15,18,21-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,41-38-/t54-/m0/s1",YFFIQOSQQILEOJ,AYUJWHRRSA,N,"TG(14:0/20:2n6/20:4(5Z,8Z,11Z,14Z))",YFFIQOSQQILEOJ-AYUJWHRRSA-N
HMDB42591,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,56H,4-15,18,21-23,28-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-/t56-/m0/s1",XUDYDWAVTJMJRR,BLEFVVGASA,N,"TG(14:0/20:2n6/22:2(13Z,16Z))",XUDYDWAVTJMJRR-BLEFVVGASA-N
HMDB42592,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,34,37,56H,4-15,18,21-23,28,30,32-33,35-36,38-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,37-34-/t56-/m0/s1",GBRCKWHNYQTJKH,NXHCNWFISA,N,"TG(14:0/20:2n6/22:4(7Z,10Z,13Z,16Z))",GBRCKWHNYQTJKH-NXHCNWFISA-N
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HMDB42597,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30,32,38,41,54H,4-6,8-9,11-15,18,21-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,41-38-/t54-/m0/s1",NOFRSBMNIBMGCM,UJBZNRRTSA,N,"TG(14:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",NOFRSBMNIBMGCM-UJBZNRRTSA-N
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HMDB42599,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,34,37,43,46,56H,4-6,8-9,11-15,18,21-23,28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,37-34-,46-43-/t56-/m0/s1",PAEWMHZZGVTXGC,HZPOKMMESA,N,"TG(14:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PAEWMHZZGVTXGC-HZPOKMMESA-N
HMDB42600,844.788376449,C55H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,53H,4-15,17-18,20-23,25,27-52H2,1-3H3/b19-16-,26-24-/t53-/m1/s1",OLBCPAMGZYJWAK,RBIUUXPJSA,N,TG(14:0/20:2n6/o-18:0),OLBCPAMGZYJWAK-RBIUUXPJSA-N
HMDB42601,800.689390676,C51H92O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h16,19,23-24,26-27,48H,4-15,17-18,20-22,25,28-47H2,1-3H3/b19-16-,24-23-,27-26-",NCIYUSPYAKFDJX,DXRCUXMPSA,N,TG(14:0/20:3n6/14:0),NCIYUSPYAKFDJX-DXRCUXMPSA-N
HMDB42602,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,49H,4-15,17-18,20-23,26,29-48H2,1-3H3/b19-16-,25-24-,28-27-/t49-/m0/s1",BVKNMLFOVDNUDI,AMZISIEYSA,N,TG(14:0/20:3n6/15:0),BVKNMLFOVDNUDI-AMZISIEYSA-N
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HMDB42604,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,52H,4-15,17-18,20-23,25,27-28,30,32-51H2,1-3H3/b19-16-,26-24-,31-29-/t52-/m0/s1",MFFDRCAJUNCFIE,XWDYBTQUSA,N,TG(14:0/20:3n6/18:0),MFFDRCAJUNCFIE-XWDYBTQUSA-N
HMDB42605,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,31,33,54H,4-16,18-19,21-24,26,28-30,32,34-53H2,1-3H3/b20-17-,27-25-,33-31-/t54-/m0/s1",DCAWTWWNADPCKX,XVZWXZDOSA,N,TG(14:0/20:3n6/20:0),DCAWTWWNADPCKX-XVZWXZDOSA-N
HMDB42606,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,33,35,56H,4-16,18-19,21-24,26,28-32,34,36-55H2,1-3H3/b20-17-,27-25-,35-33-/t56-/m0/s1",CRWNUZUGNHOIAL,QOYXCJCISA,N,TG(14:0/20:3n6/22:0),CRWNUZUGNHOIAL-QOYXCJCISA-N
HMDB42607,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,35,37,58H,4-16,18-19,21-24,26,28-34,36,38-57H2,1-3H3/b20-17-,27-25-,37-35-/t58-/m0/s1",ZTYPYYDVEYQFSE,QOADHXRNSA,N,TG(14:0/20:3n6/24:0),ZTYPYYDVEYQFSE-QOADHXRNSA-N
HMDB42608,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,16-17,19,23-24,26-27,48H,4-13,15,18,20-22,25,28-47H2,1-3H3/b17-14-,19-16-,24-23-,27-26-/t48-/m1/s1",DGADFVQVWFOPKM,VMVNRBTOSA,N,TG(14:0/20:3n6/14:1(9Z)),DGADFVQVWFOPKM-VMVNRBTOSA-N
HMDB42609,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,50H,4-15,17-18,21-22,26,28,30-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-/t50-/m0/s1",IBMALGSWALVIEH,YZRFHVQASA,N,TG(14:0/20:3n6/16:1(9Z)),IBMALGSWALVIEH-YZRFHVQASA-N
HMDB42610,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29,31,52H,4-15,17-18,21-22,25,27-28,30,32-51H2,1-3H3/b19-16-,23-20-,26-24-,31-29-/t52-/m0/s1",DGGHJJQPYSTTOD,LPEVHSOCSA,N,TG(14:0/20:3n6/18:1(11Z)),DGGHJJQPYSTTOD-LPEVHSOCSA-N
HMDB42611,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-29,31,52H,4-15,17-18,20-23,27,30,32-51H2,1-3H3/b19-16-,26-24-,28-25-,31-29-/t52-/m0/s1",XZOQDXSWTJBNDF,VPOULGQASA,N,TG(14:0/20:3n6/18:1(9Z)),XZOQDXSWTJBNDF-VPOULGQASA-N
HMDB42612,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,31,33,54H,4-16,18-19,21-23,28-30,32,34-53H2,1-3H3/b20-17-,26-24-,27-25-,33-31-/t54-/m0/s1",AWANUXSOQBARQI,RPMBQYMOSA,N,TG(14:0/20:3n6/20:1(11Z)),AWANUXSOQBARQI-RPMBQYMOSA-N
HMDB42613,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,30-33,38,41,54H,4-16,18-19,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b20-17-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m0/s1",PNGYVPDNLMAHCN,MUPFKZGYSA,N,"TG(14:0/20:3n6/20:3(5Z,8Z,11Z))",PNGYVPDNLMAHCN-MUPFKZGYSA-N
HMDB42614,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,33,35,56H,4-16,18-19,21-23,28-32,34,36-55H2,1-3H3/b20-17-,26-24-,27-25-,35-33-/t56-/m0/s1",XDAQFFUFTKXLPX,NMJQIASYSA,N,TG(14:0/20:3n6/22:1(13Z)),XDAQFFUFTKXLPX-NMJQIASYSA-N
HMDB42615,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,35,37,58H,4-16,18-19,21-23,28-34,36,38-57H2,1-3H3/b20-17-,26-24-,27-25-,37-35-/t58-/m0/s1",BVDHVRNSAXAACC,ZSGAXPKRSA,N,TG(14:0/20:3n6/24:1(15Z)),BVDHVRNSAXAACC-ZSGAXPKRSA-N
HMDB42616,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,52H,4-15,18,21-23,27,30,32-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m0/s1",PBZUQKBKTBJPQG,BLIQHNSJSA,N,"TG(14:0/20:3n6/18:2(9Z,12Z))",PBZUQKBKTBJPQG-BLIQHNSJSA-N
HMDB42617,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,33,36,52H,4-15,18,21-23,27,30,32,34-35,37-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-,36-33-/t52-/m0/s1",BKPRWTAIOYIBPA,AYLLGZNGSA,N,"TG(14:0/20:3n6/18:3(6Z,9Z,12Z))",BKPRWTAIOYIBPA-AYLLGZNGSA-N
HMDB42618,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31,33,54H,4-15,18,21-23,28-30,32,34-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,33-31-/t54-/m0/s1",YVGVIKRPSGNSQN,PLSBWLDXSA,N,TG(14:0/20:3n6/20:2n6),YVGVIKRPSGNSQN-PLSBWLDXSA-N
HMDB42619,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,54H,4-15,18,21-23,28-29,34-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-/t54-/m0/s1",QQJPBXBJVWFYAA,NJCIXMFPSA,N,TG(14:0/20:3n6/20:3n6),QQJPBXBJVWFYAA-NJCIXMFPSA-N
HMDB42620,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,38,41,54H,4-15,18,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m0/s1",IHTICPTVEQVGBZ,SYCLAPCDSA,N,"TG(14:0/20:3n6/20:4(5Z,8Z,11Z,14Z))",IHTICPTVEQVGBZ-SYCLAPCDSA-N
HMDB42621,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,33,35,56H,4-15,18,21-23,28-32,34,36-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,35-33-/t56-/m0/s1",QTZLGILWJRUTOG,RBOZIZAQSA,N,"TG(14:0/20:3n6/22:2(13Z,16Z))",QTZLGILWJRUTOG-RBOZIZAQSA-N
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HMDB42624,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,52H,4-7,9-10,12-15,18,21-23,27,30,32-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m0/s1",VPNAIBFCFUOUEN,DFVKHKBPSA,N,"TG(14:0/20:3n6/18:3(9Z,12Z,15Z))",VPNAIBFCFUOUEN-DFVKHKBPSA-N
HMDB42625,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,33,36,52H,4-7,9-10,12-15,18,21-23,27,30,32,34-35,37-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-/t52-/m0/s1",LNBYESGXZZTVRD,MHPJGCBFSA,N,"TG(14:0/20:3n6/18:4(6Z,9Z,12Z,15Z))",LNBYESGXZZTVRD-MHPJGCBFSA-N
HMDB42626,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,54H,4-6,8-9,11-15,18,21-23,28-29,34-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-/t54-/m0/s1",NTXKOQLYASDHRJ,ITSXWCDMSA,N,"TG(14:0/20:3n6/20:4(8Z,11Z,14Z,17Z))",NTXKOQLYASDHRJ-ITSXWCDMSA-N
HMDB42627,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,38,41,54H,4-6,8-9,11-15,18,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m0/s1",LNUISTPPKCXRPH,OFRGPKPZSA,N,"TG(14:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",LNUISTPPKCXRPH-OFRGPKPZSA-N
HMDB42628,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-35,37,56H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-/t56-/m0/s1",QYRAAGDXRNKZNW,CFHLXVHUSA,N,"TG(14:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",QYRAAGDXRNKZNW-CFHLXVHUSA-N
HMDB42629,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-35,37,43,46,56H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-/t56-/m0/s1",ZXPNAJYOBOKITK,QWLDCRFNSA,N,"TG(14:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZXPNAJYOBOKITK-QWLDCRFNSA-N
HMDB42630,842.772726384,C55H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,53H,4-15,17-18,20-23,25,27-28,30,32-52H2,1-3H3/b19-16-,26-24-,31-29-/t53-/m1/s1",UUHNNGQNNNMIKK,FQZFNFCTSA,N,TG(14:0/20:3n6/o-18:0),UUHNNGQNNNMIKK-FQZFNFCTSA-N
HMDB42631,798.673740612,C51H90O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h16,19,23-24,26-27,33,36,48H,4-15,17-18,20-22,25,28-32,34-35,37-47H2,1-3H3/b19-16-,24-23-,27-26-,36-33-",WDRRUHMNCUBQST,VUAUWLMFSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/14:0)",WDRRUHMNCUBQST-VUAUWLMFSA-N
HMDB42632,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,34,37,49H,4-15,17-18,20-23,26,29-33,35-36,38-48H2,1-3H3/b19-16-,25-24-,28-27-,37-34-/t49-/m0/s1",DSFVQSPHFXNXER,DIQKYJSZSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/15:0)",DSFVQSPHFXNXER-DIQKYJSZSA-N
HMDB42633,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19,24-25,27,29,35,38,50H,4-15,17-18,20-23,26,28,30-34,36-37,39-49H2,1-3H3/b19-16-,25-24-,29-27-,38-35-/t50-/m0/s1",ZGYVREIQRXIVGM,LAVFRHBYSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/16:0)",ZGYVREIQRXIVGM-LAVFRHBYSA-N
HMDB42634,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,37,40,52H,4-15,17-18,20-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b19-16-,26-24-,31-29-,40-37-/t52-/m0/s1",NFOMESAFDIWMMJ,ICASRWGDSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:0)",NFOMESAFDIWMMJ-ICASRWGDSA-N
HMDB42635,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,31,33,39,42,54H,4-16,18-19,21-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b20-17-,27-25-,33-31-,42-39-/t54-/m0/s1",JSJXBHBZMVKITQ,TXYGIHTPSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:0)",JSJXBHBZMVKITQ-TXYGIHTPSA-N
HMDB42636,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,33,35,41,44,56H,4-16,18-19,21-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b20-17-,27-25-,35-33-,44-41-/t56-/m0/s1",KSRIIPVZBFOVBM,RGPMLMHWSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:0)",KSRIIPVZBFOVBM-RGPMLMHWSA-N
HMDB42637,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,35,37,43,46,58H,4-16,18-19,21-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b20-17-,27-25-,37-35-,46-43-/t58-/m0/s1",AFUMMTADLJXJHO,QPAAUHPVSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/24:0)",AFUMMTADLJXJHO-QPAAUHPVSA-N
HMDB42638,796.658090554,C51H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,16-17,19,23-24,26-27,33,36,48H,4-13,15,18,20-22,25,28-32,34-35,37-47H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,36-33-/t48-/m1/s1",YXUGCDCQJXKQBA,JURYGQCFSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))",YXUGCDCQJXKQBA-JURYGQCFSA-N
HMDB42639,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,35,38,50H,4-15,17-18,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-,38-35-/t50-/m0/s1",FSVRDNRDSDETPI,ZHLOXPEYSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",FSVRDNRDSDETPI-ZHLOXPEYSA-N
HMDB42640,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29,31,37,40,52H,4-15,17-18,21-22,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b19-16-,23-20-,26-24-,31-29-,40-37-/t52-/m0/s1",ZFYKFVATZUURMJ,JWUGRJQSSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",ZFYKFVATZUURMJ-JWUGRJQSSA-N
HMDB42641,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-29,31,37,40,52H,4-15,17-18,20-23,27,30,32-36,38-39,41-51H2,1-3H3/b19-16-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",JLBLEJPPNIHTIQ,JFVSOPFQSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",JLBLEJPPNIHTIQ-JFVSOPFQSA-N
HMDB42642,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,31,33,39,42,54H,4-16,18-19,21-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b20-17-,26-24-,27-25-,33-31-,42-39-/t54-/m0/s1",VCJBIPBUZKHEIQ,ZDCRMNHRSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",VCJBIPBUZKHEIQ-ZDCRMNHRSA-N
HMDB42643,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,30-33,38-39,41-42,54H,4-16,18-19,21-23,28-29,34-37,40,43-53H2,1-3H3/b20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",LYCKBEILVLOFPV,YAOYOBLESA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",LYCKBEILVLOFPV-YAOYOBLESA-N
HMDB42644,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,33,35,41,44,56H,4-16,18-19,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b20-17-,26-24-,27-25-,35-33-,44-41-/t56-/m0/s1",ILEYBIJYKRCXQM,SNFLYYTFSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",ILEYBIJYKRCXQM-SNFLYYTFSA-N
HMDB42645,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,35,37,43,46,58H,4-16,18-19,21-23,28-34,36,38-42,44-45,47-57H2,1-3H3/b20-17-,26-24-,27-25-,37-35-,46-43-/t58-/m0/s1",GHEKZNYTFLHVAC,LNGZZRNOSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",GHEKZNYTFLHVAC-LNGZZRNOSA-N
HMDB42646,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,37,40,52H,4-15,18,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",QKLROIQBHQATAI,KNTLKPSUSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",QKLROIQBHQATAI-KNTLKPSUSA-N
HMDB42647,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,33,36-37,40,52H,4-15,18,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-/t52-/m0/s1",JPAZSTVUPINXAN,BGVKIYOGSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",JPAZSTVUPINXAN-BGVKIYOGSA-N
HMDB42648,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31,33,39,42,54H,4-15,18,21-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,33-31-,42-39-/t54-/m0/s1",WRPOSZKSCDCOPA,JUCDDTKGSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)",WRPOSZKSCDCOPA-JUCDDTKGSA-N
HMDB42649,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,39,42,54H,4-15,18,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-/t54-/m0/s1",JCDOSWQVQCEDEP,GZPXQUBOSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)",JCDOSWQVQCEDEP-GZPXQUBOSA-N
HMDB42650,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,38-39,41-42,54H,4-15,18,21-23,28-29,34-37,40,43-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",AXKAKJJNQURYJN,RRADJVRQSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",AXKAKJJNQURYJN-RRADJVRQSA-N
HMDB42651,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,33,35,41,44,56H,4-15,18,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,35-33-,44-41-/t56-/m0/s1",KKSIYYPUYRXEGV,GSKKFQPHSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",KKSIYYPUYRXEGV-GSKKFQPHSA-N
HMDB42652,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,33-35,37,41,44,56H,4-15,18,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-/t56-/m0/s1",VNTRYNBUFRFXRB,SBFRNJCTSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",VNTRYNBUFRFXRB-SBFRNJCTSA-N
HMDB42653,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-15,18,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-/t56-/m0/s1",LXHLNESXEDBVQR,UIJKYENNSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LXHLNESXEDBVQR-UIJKYENNSA-N
HMDB42654,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,37,40,52H,4-7,9-10,12-15,18,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",HGMYANFBEVSTAX,MJSSNMDXSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",HGMYANFBEVSTAX-MJSSNMDXSA-N
HMDB42655,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,33,36-37,40,52H,4-7,9-10,12-15,18,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-/t52-/m0/s1",RGZYJDUDYGXVFR,HBPIWFPWSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",RGZYJDUDYGXVFR-HBPIWFPWSA-N
HMDB42656,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,39,42,54H,4-6,8-9,11-15,18,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-/t54-/m0/s1",ATNFPTGGUAVPIC,SSRBWLJMSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",ATNFPTGGUAVPIC-SSRBWLJMSA-N
HMDB42657,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,38-39,41-42,54H,4-6,8-9,11-15,18,21-23,28-29,34-37,40,43-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",KJQNWSAZSLKKTQ,JBHALYTQSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KJQNWSAZSLKKTQ-JBHALYTQSA-N
HMDB42658,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-35,37,41,44,56H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-/t56-/m0/s1",QKKDPSPGKMHBNY,UHONFDOHSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QKKDPSPGKMHBNY-UHONFDOHSA-N
HMDB42659,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-/t56-/m0/s1",JUJWGAZXRNEYPW,RJWGBOJGSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JUJWGAZXRNEYPW-RJWGBOJGSA-N
HMDB42660,840.75707632,C55H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,37,40,53H,4-15,17-18,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b19-16-,26-24-,31-29-,40-37-/t53-/m1/s1",KORDNKZTJCTSTM,FLOCMHLXSA,N,"TG(14:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)",KORDNKZTJCTSTM-FLOCMHLXSA-N
HMDB42661,830.736340868,C53H98O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h16,19,23-24,50H,4-15,17-18,20-22,25-49H2,1-3H3/b19-16-,24-23-",LAOUTXRNRYLTNN,FRIQFDFRSA,N,"TG(14:0/22:2(13Z,16Z)/14:0)",LAOUTXRNRYLTNN-FRIQFDFRSA-N
HMDB42662,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,24-25,51H,4-15,17-18,20-23,26-50H2,1-3H3/b19-16-,25-24-/t51-/m0/s1",BDGXYUIUUXVNCL,IWMQZHJISA,N,"TG(14:0/22:2(13Z,16Z)/15:0)",BDGXYUIUUXVNCL-IWMQZHJISA-N
HMDB42663,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,52H,4-15,17-18,20-23,26-51H2,1-3H3/b19-16-,25-24-/t52-/m0/s1",NHRVLUPAYPZPMN,JHSOZWSOSA,N,"TG(14:0/22:2(13Z,16Z)/16:0)",NHRVLUPAYPZPMN-JHSOZWSOSA-N
HMDB42664,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,54H,4-15,17-18,20-23,25,27-53H2,1-3H3/b19-16-,26-24-/t54-/m0/s1",CEPHGBZUJFQPOJ,CVPIKHQZSA,N,"TG(14:0/22:2(13Z,16Z)/18:0)",CEPHGBZUJFQPOJ-CVPIKHQZSA-N
HMDB42665,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,56H,4-15,17-18,20-23,25,27-55H2,1-3H3/b19-16-,26-24-/t56-/m0/s1",HSISMYYRVVPXKG,KNAYTQRDSA,N,"TG(14:0/22:2(13Z,16Z)/20:0)",HSISMYYRVVPXKG-KNAYTQRDSA-N
HMDB42666,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,58H,4-16,18-19,21-24,26,28-57H2,1-3H3/b20-17-,27-25-/t58-/m0/s1",NTSBQBZSOJXXMZ,GEHBLPSASA,N,"TG(14:0/22:2(13Z,16Z)/22:0)",NTSBQBZSOJXXMZ-GEHBLPSASA-N
HMDB42667,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,60H,4-16,18-19,21-24,26,28-59H2,1-3H3/b20-17-,27-25-/t60-/m0/s1",NUEDPKJRKOIZSG,PUAIEPDKSA,N,"TG(14:0/22:2(13Z,16Z)/24:0)",NUEDPKJRKOIZSG-PUAIEPDKSA-N
HMDB42668,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,16-17,19,23-24,50H,4-13,15,18,20-22,25-49H2,1-3H3/b17-14-,19-16-,24-23-/t50-/m1/s1",KQZBNIWHJDAPHE,VJHKCQESSA,N,"TG(14:0/22:2(13Z,16Z)/14:1(9Z))",KQZBNIWHJDAPHE-VJHKCQESSA-N
HMDB42669,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,52H,4-15,17-18,21-22,26-51H2,1-3H3/b19-16-,23-20-,25-24-/t52-/m0/s1",LUCYHIOFVUWJDD,QPRILOHKSA,N,"TG(14:0/22:2(13Z,16Z)/16:1(9Z))",LUCYHIOFVUWJDD-QPRILOHKSA-N
HMDB42670,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,54H,4-15,17-18,21-22,25,27-53H2,1-3H3/b19-16-,23-20-,26-24-/t54-/m0/s1",KRNGXZWFBACZCQ,CGBZTZCNSA,N,"TG(14:0/22:2(13Z,16Z)/18:1(11Z))",KRNGXZWFBACZCQ-CGBZTZCNSA-N
HMDB42671,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,30,54H,4-15,17-18,20-23,27-29,31-53H2,1-3H3/b19-16-,26-24-,30-25-/t54-/m0/s1",JCFQRCZDNUSJCL,AILSCRDTSA,N,"TG(14:0/22:2(13Z,16Z)/18:1(9Z))",JCFQRCZDNUSJCL-AILSCRDTSA-N
HMDB42672,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,56H,4-15,17-18,20-23,28-55H2,1-3H3/b19-16-,26-24-,27-25-/t56-/m0/s1",IIKNEEHPRWXYIX,VERBRUMSSA,N,"TG(14:0/22:2(13Z,16Z)/20:1(11Z))",IIKNEEHPRWXYIX-VERBRUMSSA-N
HMDB42673,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,32,34,40,43,56H,4-15,17-18,20-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,26-24-,27-25-,34-32-,43-40-/t56-/m0/s1",NKHLKBHPWBKWSB,JRIYBWAKSA,N,"TG(14:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",NKHLKBHPWBKWSB-JRIYBWAKSA-N
HMDB42674,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,58H,4-16,18-19,21-23,28-57H2,1-3H3/b20-17-,26-24-,27-25-/t58-/m0/s1",AHYJLIXVIKISHC,DMEANTDCSA,N,"TG(14:0/22:2(13Z,16Z)/22:1(13Z))",AHYJLIXVIKISHC-DMEANTDCSA-N
HMDB42675,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,60H,4-16,18-19,21-23,28-59H2,1-3H3/b20-17-,26-24-,27-25-/t60-/m0/s1",JWNQPWOMEKFYMA,SOBCOFBWSA,N,"TG(14:0/22:2(13Z,16Z)/24:1(15Z))",JWNQPWOMEKFYMA-SOBCOFBWSA-N
HMDB42676,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,30,54H,4-15,18,21-23,27-29,31-53H2,1-3H3/b19-16-,20-17-,26-24-,30-25-/t54-/m0/s1",BLNIBJNSVRHQPM,WTNQUSKBSA,N,"TG(14:0/22:2(13Z,16Z)/18:2(9Z,12Z))",BLNIBJNSVRHQPM-WTNQUSKBSA-N
HMDB42677,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,30,35,38,54H,4-15,18,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b19-16-,20-17-,26-24-,30-25-,38-35-/t54-/m0/s1",UOMPQWRFJUXCEB,CEOLQBJHSA,N,"TG(14:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",UOMPQWRFJUXCEB-CEOLQBJHSA-N
HMDB42678,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,56H,4-15,18,21-23,28-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-/t56-/m0/s1",QVENKLFRJAJEQR,BLEFVVGASA,N,"TG(14:0/22:2(13Z,16Z)/20:2n6)",QVENKLFRJAJEQR-BLEFVVGASA-N
HMDB42679,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,32,34,56H,4-15,18,21-23,28-31,33,35-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-32-/t56-/m0/s1",GYLPARRXCGQTHY,CEHJBHLDSA,N,"TG(14:0/22:2(13Z,16Z)/20:3n6)",GYLPARRXCGQTHY-CEHJBHLDSA-N
HMDB42680,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,32,34,40,43,56H,4-15,18,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-32-,43-40-/t56-/m0/s1",SZQIURDHGSJYLR,HXVXMFTGSA,N,"TG(14:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",SZQIURDHGSJYLR-HXVXMFTGSA-N
HMDB42681,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,58H,4-15,18,21-23,28-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-/t58-/m0/s1",CVSGTFIHUMEUGC,LCJHGLGJSA,N,"TG(14:0/22:2(13Z,16Z)/22:2(13Z,16Z))",CVSGTFIHUMEUGC-LCJHGLGJSA-N
HMDB42682,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30,32,36,39,58H,4-15,18,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,39-36-/t58-/m0/s1",XZSIDISIMYYDKT,GMOYWQSNSA,N,"TG(14:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",XZSIDISIMYYDKT-GMOYWQSNSA-N
HMDB42683,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30,32,36,39,45,48,58H,4-15,18,21-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1",BJXCEWHYIZTXFY,UVTORSGFSA,N,"TG(14:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BJXCEWHYIZTXFY-UVTORSGFSA-N
HMDB42684,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,54H,4-7,9-10,12-15,18,21-23,27-29,31-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-/t54-/m0/s1",HFEXMJFDPVATAO,WICJBSEGSA,N,"TG(14:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",HFEXMJFDPVATAO-WICJBSEGSA-N
HMDB42685,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,35,38,54H,4-7,9-10,12-15,18,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-,38-35-/t54-/m0/s1",QSBRMNGDXNNVPF,MEBOBHDRSA,N,"TG(14:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",QSBRMNGDXNNVPF-MEBOBHDRSA-N
HMDB42686,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,32,34,56H,4-7,9-10,12-15,18,21-23,28-31,33,35-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-32-/t56-/m0/s1",ALXJLMKKZFCOSE,FDXFUTJWSA,N,"TG(14:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",ALXJLMKKZFCOSE-FDXFUTJWSA-N
HMDB42687,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,32,34,40,43,56H,4-7,9-10,12-15,18,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-32-,43-40-/t56-/m0/s1",MMEJHTPYAFKCDS,YILTXJEHSA,N,"TG(14:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MMEJHTPYAFKCDS-YILTXJEHSA-N
HMDB42688,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30,32,36,39,58H,4-6,8-9,11-15,18,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-/t58-/m0/s1",WLNVUDLRFPEMID,AWZXZQMMSA,N,"TG(14:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WLNVUDLRFPEMID-AWZXZQMMSA-N
HMDB42689,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30,32,36,39,45,48,58H,4-6,8-9,11-15,18,21-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1",WYCSIKFFWNBQTH,HPICKALHSA,N,"TG(14:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WYCSIKFFWNBQTH-HPICKALHSA-N
HMDB42690,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,55H,4-15,17-18,20-23,25,27-54H2,1-3H3/b19-16-,26-24-/t55-/m1/s1",KMBHQLJZVMQERB,HIMMAGPPSA,N,"TG(14:0/22:2(13Z,16Z)/o-18:0)",KMBHQLJZVMQERB-HIMMAGPPSA-N
HMDB42691,826.70504074,C53H94O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h16,19,23-24,26-27,29,32,50H,4-15,17-18,20-22,25,28,30-31,33-49H2,1-3H3/b19-16-,24-23-,27-26-,32-29-",XQEDPWHDLBHRNN,VLJBNMBVSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/14:0)",XQEDPWHDLBHRNN-VLJBNMBVSA-N
HMDB42692,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,51H,4-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-/t51-/m0/s1",QICWTFGNGKNTMT,SVIBBISDSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/15:0)",QICWTFGNGKNTMT-SVIBBISDSA-N
HMDB42693,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,34,52H,4-15,17-18,20-23,26,29-30,32-33,35-51H2,1-3H3/b19-16-,25-24-,28-27-,34-31-/t52-/m0/s1",QZMAXYIBXMVBCJ,VSCNWQQRSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/16:0)",QZMAXYIBXMVBCJ-VSCNWQQRSA-N
HMDB42694,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,33,36,54H,4-15,17-18,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b19-16-,26-24-,29-28-,36-33-/t54-/m0/s1",XIEUJHVLPZAHHA,ZSPFYABHSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:0)",XIEUJHVLPZAHHA-ZSPFYABHSA-N
HMDB42695,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,35,38,56H,4-15,17-18,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,26-24-,31-29-,38-35-/t56-/m0/s1",DJKWVWYBJXAULM,ZLPYVIQUSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:0)",DJKWVWYBJXAULM-ZLPYVIQUSA-N
HMDB42696,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,31,33,37,40,58H,4-16,18-19,21-24,26,28-30,32,34-36,38-39,41-57H2,1-3H3/b20-17-,27-25-,33-31-,40-37-/t58-/m0/s1",FCDMPASDBFINOG,DCQMPBFPSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:0)",FCDMPASDBFINOG-DCQMPBFPSA-N
HMDB42697,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,35,39,42,60H,4-16,18-19,21-24,26,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b20-17-,27-25-,35-32-,42-39-/t60-/m0/s1",MIRRUHDLDQABSJ,VYRAXEJDSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/24:0)",MIRRUHDLDQABSJ-VYRAXEJDSA-N
HMDB42698,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,16-17,19,23-24,26-27,29,32,50H,4-13,15,18,20-22,25,28,30-31,33-49H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,32-29-/t50-/m1/s1",TWDXCEDERBSIHU,MDHOFYHKSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))",TWDXCEDERBSIHU-MDHOFYHKSA-N
HMDB42699,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,34,52H,4-15,17-18,21-22,26,29-30,32-33,35-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,34-31-/t52-/m0/s1",POWNQYNUJQKIJN,MUYBOSFNSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))",POWNQYNUJQKIJN-MUYBOSFNSA-N
HMDB42700,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,33,36,54H,4-15,17-18,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,36-33-/t54-/m0/s1",LTKZJLJRCVCLBH,WFLHAWLWSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))",LTKZJLJRCVCLBH-WFLHAWLWSA-N
HMDB42701,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,33,36,54H,4-15,17-18,20-23,27,31-32,34-35,37-53H2,1-3H3/b19-16-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",VIYIIFOXWFOBDE,BVQXJMJWSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",VIYIIFOXWFOBDE-BVQXJMJWSA-N
HMDB42702,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,35,38,56H,4-15,17-18,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",CNSCNEXUNKWZHG,WYUIVWTQSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",CNSCNEXUNKWZHG-WYUIVWTQSA-N
HMDB42703,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31-32,34-35,38,40,43,56H,4-15,17-18,20-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-/t56-/m0/s1",OWRZUSUKPIGWNC,VGDRWEHFSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",OWRZUSUKPIGWNC-VGDRWEHFSA-N
HMDB42704,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,31,33,37,40,58H,4-16,18-19,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b20-17-,26-24-,27-25-,33-31-,40-37-/t58-/m0/s1",OZFFKAWLPSNNMV,PURGZUITSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",OZFFKAWLPSNNMV-PURGZUITSA-N
HMDB42705,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,35,39,42,60H,4-16,18-19,21-23,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b20-17-,26-24-,27-25-,35-32-,42-39-/t60-/m0/s1",KKWGNAXIJLGZIW,BKULRGTISA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",KKWGNAXIJLGZIW-BKULRGTISA-N
HMDB42706,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,36,54H,4-15,18,21-23,27,31-32,34-35,37-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",MJBNDJTYDFUFCF,PRHWSHMVSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",MJBNDJTYDFUFCF-PRHWSHMVSA-N
HMDB42707,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,35-36,38,54H,4-15,18,21-23,27,31-32,34,37,39-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-/t54-/m0/s1",BWMLIHVXGWCDIY,ONLFBLKLSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",BWMLIHVXGWCDIY-ONLFBLKLSA-N
HMDB42708,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,35,38,56H,4-15,18,21-23,28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",SVGMMDKDCUKQPU,VHKDZXLCSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)",SVGMMDKDCUKQPU-VHKDZXLCSA-N
HMDB42709,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,56H,4-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1",UROZXAFNVBTEJJ,IQVULVQPSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)",UROZXAFNVBTEJJ-IQVULVQPSA-N
HMDB42710,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,40,43,56H,4-15,18,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-/t56-/m0/s1",JZSQAJKUITZYNX,IPODQTMWSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",JZSQAJKUITZYNX-IPODQTMWSA-N
HMDB42711,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31,33,37,40,58H,4-15,18,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,33-31-,40-37-/t58-/m0/s1",WFAUKRWAXICSSJ,CQEHGLJOSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",WFAUKRWAXICSSJ-CQEHGLJOSA-N
HMDB42712,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,58H,4-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m0/s1",HVWFFXGDPAVCBM,NTAWWKGUSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",HVWFFXGDPAVCBM-NTAWWKGUSA-N
HMDB42713,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-/t58-/m0/s1",LEUVTDMDPOXZRD,BHOQCJAWSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LEUVTDMDPOXZRD-BHOQCJAWSA-N
HMDB42714,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,36,54H,4-7,9-10,12-15,18,21-23,27,31-32,34-35,37-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",JPOYSFUCGSJDSR,LLPWYXLESA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",JPOYSFUCGSJDSR-LLPWYXLESA-N
HMDB42715,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,35-36,38,54H,4-7,9-10,12-15,18,21-23,27,31-32,34,37,39-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-/t54-/m0/s1",CIEQCCQUUFMWGN,RQAHWEDHSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",CIEQCCQUUFMWGN-RQAHWEDHSA-N
HMDB42716,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1",CAYXGQALYPMAEC,GWGVDSFBSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",CAYXGQALYPMAEC-GWGVDSFBSA-N
HMDB42717,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,40,43,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-/t56-/m0/s1",HYDJVFGMENBDEL,OULLBYPESA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HYDJVFGMENBDEL-OULLBYPESA-N
HMDB42718,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m0/s1",FJZPBTOCFGKHRT,AVWCUDGOSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FJZPBTOCFGKHRT-AVWCUDGOSA-N
HMDB42719,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-/t58-/m0/s1",HPUIZDQVRPPKFC,TVAFMUITSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HPUIZDQVRPPKFC-TVAFMUITSA-N
HMDB42720,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-/t55-/m1/s1",VDEFXUQSUBAFFB,KJBXMZTMSA,N,"TG(14:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)",VDEFXUQSUBAFFB-KJBXMZTMSA-N
HMDB42721,824.689390676,C53H92O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h16,19,23-24,26-27,29,32,38,41,50H,4-15,17-18,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b19-16-,24-23-,27-26-,32-29-,41-38-",VXBHTJDDYMRMLE,GTMCCAAVSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:0)",VXBHTJDDYMRMLE-GTMCCAAVSA-N
HMDB42722,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,39,42,51H,4-15,17-18,20-23,26,29,31-32,34-38,40-41,43-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-,42-39-/t51-/m0/s1",ZWWTYQLIPVRGSB,NSDWCIHOSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/15:0)",ZWWTYQLIPVRGSB-NSDWCIHOSA-N
HMDB42723,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,34,40,43,52H,4-15,17-18,20-23,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b19-16-,25-24-,28-27-,34-31-,43-40-/t52-/m0/s1",QPPIYNYVDUYVQL,NYCWUFLLSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",QPPIYNYVDUYVQL-NYCWUFLLSA-N
HMDB42724,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,33,36,42,45,54H,4-15,17-18,20-23,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,26-24-,29-28-,36-33-,45-42-/t54-/m0/s1",GZIFFSTVTIRNHB,BUVYJIJBSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",GZIFFSTVTIRNHB-BUVYJIJBSA-N
HMDB42725,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,35,38,44,47,56H,4-15,17-18,20-23,25,27-28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,26-24-,31-29-,38-35-,47-44-/t56-/m0/s1",WRTZUZWZUPBICT,PXXVANHKSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0)",WRTZUZWZUPBICT-PXXVANHKSA-N
HMDB42726,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,31,33,37,40,46,49,58H,4-16,18-19,21-24,26,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b20-17-,27-25-,33-31-,40-37-,49-46-/t58-/m0/s1",FXVOAGQFQSWSBU,HYPMVBGPSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)",FXVOAGQFQSWSBU-HYPMVBGPSA-N
HMDB42727,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,35,39,42,48,51,60H,4-16,18-19,21-24,26,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b20-17-,27-25-,35-32-,42-39-,51-48-/t60-/m0/s1",NKIGKQWLBIPYDK,VQLANULESA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)",NKIGKQWLBIPYDK-VQLANULESA-N
HMDB42728,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,16-17,19,23-24,26-27,29,32,38,41,50H,4-13,15,18,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,32-29-,41-38-/t50-/m1/s1",KTKXSRWKKLZZLZ,JDWQAADZSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))",KTKXSRWKKLZZLZ-JDWQAADZSA-N
HMDB42729,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,34,40,43,52H,4-15,17-18,21-22,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,34-31-,43-40-/t52-/m0/s1",NIDZQHBHYLINPT,ZANNKFILSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",NIDZQHBHYLINPT-ZANNKFILSA-N
HMDB42730,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,33,36,42,45,54H,4-15,17-18,21-22,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,36-33-,45-42-/t54-/m0/s1",KSQYEYIICKVPKJ,KMHGEIAVSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",KSQYEYIICKVPKJ-KMHGEIAVSA-N
HMDB42731,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,33,36,42,45,54H,4-15,17-18,20-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,26-24-,29-28-,30-25-,36-33-,45-42-/t54-/m0/s1",WHLMTKJXLJZMGZ,HLQVZQLYSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",WHLMTKJXLJZMGZ-HLQVZQLYSA-N
HMDB42732,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,35,38,44,47,56H,4-15,17-18,20-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,38-35-,47-44-/t56-/m0/s1",DMYXUUUZLGSVST,LQBNLGNGSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",DMYXUUUZLGSVST-LQBNLGNGSA-N
HMDB42733,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-15,17-18,20-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-/t56-/m0/s1",QNZKNAMUOXRYNM,KBTPSWEBSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",QNZKNAMUOXRYNM-KBTPSWEBSA-N
HMDB42734,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,31,33,37,40,46,49,58H,4-16,18-19,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b20-17-,26-24-,27-25-,33-31-,40-37-,49-46-/t58-/m0/s1",JVLPXDUCECFRSA,MACHFRJBSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",JVLPXDUCECFRSA-MACHFRJBSA-N
HMDB42735,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,35,39,42,48,51,60H,4-16,18-19,21-23,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b20-17-,26-24-,27-25-,35-32-,42-39-,51-48-/t60-/m0/s1",DJOOHJRCQZSQJS,XWAQJDDJSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",DJOOHJRCQZSQJS-XWAQJDDJSA-N
HMDB42736,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,36,42,45,54H,4-15,18,21-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,45-42-/t54-/m0/s1",JWTYEBBQQHRBJR,VJDUCZRSSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",JWTYEBBQQHRBJR-VJDUCZRSSA-N
HMDB42737,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,35-36,38,42,45,54H,4-15,18,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-/t54-/m0/s1",FIGUALCPWUZYJJ,RSMYUNEBSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",FIGUALCPWUZYJJ-RSMYUNEBSA-N
HMDB42738,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,35,38,44,47,56H,4-15,18,21-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,38-35-,47-44-/t56-/m0/s1",RGHUBQSVFHIJQK,KYNGJBIRSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",RGHUBQSVFHIJQK-KYNGJBIRSA-N
HMDB42739,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,44,47,56H,4-15,18,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-/t56-/m0/s1",AOWMPGQIWILYET,WLZNPZJTSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",AOWMPGQIWILYET-WLZNPZJTSA-N
HMDB42740,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-15,18,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-/t56-/m0/s1",GPYCLFQJCGOBIU,FIDVBXBDSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",GPYCLFQJCGOBIU-FIDVBXBDSA-N
HMDB42741,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31,33,37,40,46,49,58H,4-15,18,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-/t58-/m0/s1",VCILMCUUYZUVFS,AVQIFYHOSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",VCILMCUUYZUVFS-AVQIFYHOSA-N
HMDB42742,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,46,49,58H,4-15,18,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-/t58-/m0/s1",IFYIISSPAWERJU,LPKWQJKJSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",IFYIISSPAWERJU-LPKWQJKJSA-N
HMDB42743,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-15,18,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-/t58-/m0/s1",UFCCMBVMTDXZTE,JICWDUDCSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UFCCMBVMTDXZTE-JICWDUDCSA-N
HMDB42744,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,36,42,45,54H,4-7,9-10,12-15,18,21-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,45-42-/t54-/m0/s1",ZRUIVIYKNFAQFF,WJRNBFIQSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",ZRUIVIYKNFAQFF-WJRNBFIQSA-N
HMDB42745,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,35-36,38,42,45,54H,4-7,9-10,12-15,18,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-/t54-/m0/s1",NRYFGOULVQOEKL,JEWDWEEJSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",NRYFGOULVQOEKL-JEWDWEEJSA-N
HMDB42746,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,44,47,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-/t56-/m0/s1",VGXAVCFJDOECRR,ZNJYRVKISA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",VGXAVCFJDOECRR-ZNJYRVKISA-N
HMDB42747,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-/t56-/m0/s1",KDSYFXGBDAMCAL,RYTZCETKSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KDSYFXGBDAMCAL-RYTZCETKSA-N
HMDB42748,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,46,49,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-/t58-/m0/s1",LJCVQXLXNXRAFS,MUAFTILASA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LJCVQXLXNXRAFS-MUAFTILASA-N
HMDB42749,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-/t58-/m0/s1",ISVYJGODJAFSSA,IPVSRADUSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ISVYJGODJAFSSA-IPVSRADUSA-N
HMDB42750,866.772726384,C57H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,42,45,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-,45-42-/t55-/m1/s1",AXWUDJVLHVBXKA,FLQSDFAPSA,N,"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",AXWUDJVLHVBXKA-FLQSDFAPSA-N
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HMDB42753,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,48H,4-6,8-9,11-15,17-18,20-23,26-47H2,1-3H3/b10-7-,19-16-,25-24-/t48-/m0/s1",CLTKQWMKCFFJAD,UFMXUTEYSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/16:0)",CLTKQWMKCFFJAD-UFMXUTEYSA-N
HMDB42754,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,50H,4-7,9-10,12-16,18-19,21-24,26,28-49H2,1-3H3/b11-8-,20-17-,27-25-/t50-/m0/s1",JIQHTYFAGVNOLJ,VSCFVRSVSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/18:0)",JIQHTYFAGVNOLJ-VSCFVRSVSA-N
HMDB42755,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-51H2,1-3H3/b11-8-,20-17-,28-25-/t52-/m0/s1",VHWNCJQPNDUBCY,JHHRBSFXSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/20:0)",VHWNCJQPNDUBCY-JHHRBSFXSA-N
HMDB42756,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-53H2,1-3H3/b11-8-,20-17-,30-25-/t54-/m0/s1",PZGMSWKRVOYKSW,SKOKRVOXSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/22:0)",PZGMSWKRVOYKSW-SKOKRVOXSA-N
HMDB42757,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-55H2,1-3H3/b11-8-,20-17-,32-25-/t56-/m0/s1",KJZFQKKCTXHFNT,UMAQAMSVSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/24:0)",KJZFQKKCTXHFNT-UMAQAMSVSA-N
HMDB42758,770.642440489,C49H86O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,46H,4-6,8-9,11-13,15,18,20-22,25-45H2,1-3H3/b10-7-,17-14-,19-16-,24-23-/t46-/m1/s1",NWBHQWSBDNIZGS,PJWQHDJPSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/14:1(9Z))",NWBHQWSBDNIZGS-PJWQHDJPSA-N
HMDB42759,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,48H,4-6,8-9,11-15,17-18,21-22,26-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-/t48-/m0/s1",FAOJWEAKPNBWHR,NGYNEUHUSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/16:1(9Z))",FAOJWEAKPNBWHR-NGYNEUHUSA-N
HMDB42760,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,25,27,50H,4-7,9-10,12-16,18,21,23-24,26,28-49H2,1-3H3/b11-8-,20-17-,22-19-,27-25-/t50-/m0/s1",AEKJRJSBSFXHNH,RRORQZENSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/18:1(11Z))",AEKJRJSBSFXHNH-RRORQZENSA-N
HMDB42761,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,50H,4-7,9-10,12-16,18-19,21-23,28-49H2,1-3H3/b11-8-,20-17-,26-24-,27-25-/t50-/m0/s1",HZHZONLVQSMIPH,DUJDGCNSSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/18:1(9Z))",HZHZONLVQSMIPH-DUJDGCNSSA-N
HMDB42762,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28,52H,4-7,9-10,12-16,18-19,21-23,27,29-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-/t52-/m0/s1",JHMJQPFJXDWUMJ,LNZFBCICSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/20:1(11Z))",JHMJQPFJXDWUMJ-LNZFBCICSA-N
HMDB42763,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-30,36,39,52H,4-7,9-10,12-16,18-19,21-23,27,31-35,37-38,40-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,30-29-,39-36-/t52-/m0/s1",VGTYYRZFNIDCIM,LNNSTQRFSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",VGTYYRZFNIDCIM-LNNSTQRFSA-N
HMDB42764,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-/t54-/m0/s1",OXALJAMNRIYLJO,IXGFBZFASA,N,"TG(14:0/18:3(9Z,12Z,15Z)/22:1(13Z))",OXALJAMNRIYLJO-IXGFBZFASA-N
HMDB42765,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-/t56-/m0/s1",GUEGMGSTZOPVPE,XQUIPRQHSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/24:1(15Z))",GUEGMGSTZOPVPE-XQUIPRQHSA-N
HMDB42766,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,50H,4-7,9-10,12-15,18,21-23,28-49H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-/t50-/m0/s1",UEAIKAUONHQWBH,RZTGZXJRSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",UEAIKAUONHQWBH-RZTGZXJRSA-N
HMDB42767,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31,34,50H,4-7,9-10,12-15,18,21-23,28-30,32-33,35-49H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-31-/t50-/m0/s1",LTUUEGBLIHHDLS,RYKJEZTPSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",LTUUEGBLIHHDLS-RYKJEZTPSA-N
HMDB42768,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28,52H,4-7,9-10,12-15,18,21-23,27,29-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-/t52-/m0/s1",WGTADRBQBBKAGF,HHYLQHKESA,N,"TG(14:0/18:3(9Z,12Z,15Z)/20:2n6)",WGTADRBQBBKAGF-HHYLQHKESA-N
HMDB42769,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,52H,4-7,9-10,12-15,18,21-23,27,31-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,30-29-/t52-/m0/s1",NKPWXWLKSCUWEL,LJTIUBNESA,N,"TG(14:0/18:3(9Z,12Z,15Z)/20:3n6)",NKPWXWLKSCUWEL-LJTIUBNESA-N
HMDB42770,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,36,39,52H,4-7,9-10,12-15,18,21-23,27,31-35,37-38,40-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,39-36-/t52-/m0/s1",FQILBHNTMMNWCX,OCKDVREJSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",FQILBHNTMMNWCX-OCKDVREJSA-N
HMDB42771,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,54H,4-7,9-10,12-15,18,21-23,27-29,31-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-/t54-/m0/s1",VMUGUHJRAOSIMU,WICJBSEGSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",VMUGUHJRAOSIMU-WICJBSEGSA-N
HMDB42772,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,32,35,54H,4-7,9-10,12-15,18,21-23,27,31,33-34,36-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-/t54-/m0/s1",UGPJGPBGEGGPPT,AITMSGRNSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",UGPJGPBGEGGPPT-AITMSGRNSA-N
HMDB42773,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,32,35,41,44,54H,4-7,9-10,12-15,18,21-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,44-41-/t54-/m0/s1",VLZMBFPRSFRWEB,KZWXYQOPSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VLZMBFPRSFRWEB-KZWXYQOPSA-N
HMDB42774,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,50H,4-6,9,12-15,18,21-23,28-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-/t50-/m0/s1",BJNRRZFZTVYOOW,OAELDQGXSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",BJNRRZFZTVYOOW-OAELDQGXSA-N
HMDB42775,820.658090554,C53H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,31,34,50H,4-6,9,12-15,18,21-23,28-30,32-33,35-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,34-31-/t50-/m0/s1",MTTSHVSDWUTQEF,DACNMIOCSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",MTTSHVSDWUTQEF-DACNMIOCSA-N
HMDB42776,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,52H,4-6,9,12-15,18,21-23,27,31-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,30-29-/t52-/m0/s1",CAEJWDVCKOCGEN,BUKABAAQSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",CAEJWDVCKOCGEN-BUKABAAQSA-N
HMDB42777,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,36,39,52H,4-6,9,12-15,18,21-23,27,31-35,37-38,40-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,39-36-/t52-/m0/s1",MCQMQRJFWVKBMU,AYMPFVSYSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MCQMQRJFWVKBMU-AYMPFVSYSA-N
HMDB42778,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,32,35,54H,4-6,9,12-15,18,21-23,27,31,33-34,36-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-/t54-/m0/s1",DLBNIYCIHGTZJI,IMVNROBTSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DLBNIYCIHGTZJI-IMVNROBTSA-N
HMDB42779,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,32,35,41,44,54H,4-6,9,12-15,18,21-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,44-41-/t54-/m0/s1",PPZGAVYYQFVBPK,ZGMBMCMSSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PPZGAVYYQFVBPK-ZGMBMCMSSA-N
HMDB42780,814.741426256,C53H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,51H,4-7,9-10,12-16,18-19,21-24,26,28-50H2,1-3H3/b11-8-,20-17-,27-25-/t51-/m1/s1",RLWGPXWBFDHIJZ,AHWVLIIWSA,N,"TG(14:0/18:3(9Z,12Z,15Z)/o-18:0)",RLWGPXWBFDHIJZ-AHWVLIIWSA-N
HMDB42781,770.642440484,C49H86O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h7,10,16,19,23-24,28,31,46H,4-6,8-9,11-15,17-18,20-22,25-27,29-30,32-45H2,1-3H3/b10-7-,19-16-,24-23-,31-28-",WMFKLVFQRXZMAB,PFBCYAMXSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/14:0)",WMFKLVFQRXZMAB-PFBCYAMXSA-N
HMDB42782,784.658090554,C50H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,29,32,47H,4-6,8-9,11-15,17-18,20-23,26-28,30-31,33-46H2,1-3H3/b10-7-,19-16-,25-24-,32-29-/t47-/m0/s1",SOJLHJCCGBUXPQ,UJBZBBSESA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/15:0)",SOJLHJCCGBUXPQ-UJBZBBSESA-N
HMDB42783,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,30,33,48H,4-6,8-9,11-15,17-18,20-23,26-29,31-32,34-47H2,1-3H3/b10-7-,19-16-,25-24-,33-30-/t48-/m0/s1",OATMICFDINFCGJ,VTBOKXQCSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/16:0)",OATMICFDINFCGJ-VTBOKXQCSA-N
HMDB42784,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,35,50H,4-7,9-10,12-16,18-19,21-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,20-17-,27-25-,35-32-/t50-/m0/s1",XDXKIDASDGALSW,BNZGIGIVSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:0)",XDXKIDASDGALSW-BNZGIGIVSA-N
HMDB42785,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,34,37,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,28-25-,37-34-/t52-/m0/s1",PTAWPTKMXDLFKO,PEHGPNEWSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:0)",PTAWPTKMXDLFKO-PEHGPNEWSA-N
HMDB42786,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,36,39,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,30-25-,39-36-/t54-/m0/s1",ADDMBQHEJRQEPO,XJAZUKOCSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:0)",ADDMBQHEJRQEPO-XJAZUKOCSA-N
HMDB42787,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,38,41,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,32-25-,41-38-/t56-/m0/s1",PXTHLQRGIKYLQK,SHFOXWKGSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/24:0)",PXTHLQRGIKYLQK-SHFOXWKGSA-N
HMDB42788,768.626790425,C49H84O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,28,31,46H,4-6,8-9,11-13,15,18,20-22,25-27,29-30,32-45H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,31-28-/t46-/m1/s1",ANPIMACZVVAZDL,BRBPUOLFSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))",ANPIMACZVVAZDL-BRBPUOLFSA-N
HMDB42789,796.658090554,C51H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,30,33,48H,4-6,8-9,11-15,17-18,21-22,26-29,31-32,34-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,33-30-/t48-/m0/s1",BCZAJVGUALTCNH,ROUFDCJJSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))",BCZAJVGUALTCNH-ROUFDCJJSA-N
HMDB42790,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,25,27,32,35,50H,4-7,9-10,12-16,18,21,23-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,20-17-,22-19-,27-25-,35-32-/t50-/m0/s1",MWGXMEUJCVISKE,WZUSQSROSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))",MWGXMEUJCVISKE-WZUSQSROSA-N
HMDB42791,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,35,50H,4-7,9-10,12-16,18-19,21-23,28-31,33-34,36-49H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,35-32-/t50-/m0/s1",HMCVWWVHPCZRED,UTIASHRTSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))",HMCVWWVHPCZRED-UTIASHRTSA-N
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HMDB42793,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-30,34,36-37,39,52H,4-7,9-10,12-16,18-19,21-23,27,31-33,35,38,40-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-/t52-/m0/s1",SCUSKUXPFKUPLF,JIQVXYDXSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",SCUSKUXPFKUPLF-JIQVXYDXSA-N
HMDB42794,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,36,39,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-,39-36-/t54-/m0/s1",XDAZZLONPIHPNZ,AIFIXOPWSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",XDAZZLONPIHPNZ-AIFIXOPWSA-N
HMDB42795,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,38,41,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-,41-38-/t56-/m0/s1",BUNOTJJAAZNJQY,DHAJSCLBSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",BUNOTJJAAZNJQY-DHAJSCLBSA-N
HMDB42796,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,32,35,50H,4-7,9-10,12-15,18,21-23,28-31,33-34,36-49H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,35-32-/t50-/m0/s1",XMWXCURVENVSFV,VORSIJRFSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",XMWXCURVENVSFV-VORSIJRFSA-N
HMDB42797,820.658090554,C53H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31-32,34-35,50H,4-7,9-10,12-15,18,21-23,28-30,33,36-49H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-31-,35-32-/t50-/m0/s1",PCEJFUNQVYAOEV,JRXHDNRDSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",PCEJFUNQVYAOEV-JRXHDNRDSA-N
HMDB42798,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28,34,37,52H,4-7,9-10,12-15,18,21-23,27,29-33,35-36,38-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,37-34-/t52-/m0/s1",SARXZHPDSHPLHA,WZWXMSHMSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)",SARXZHPDSHPLHA-WZWXMSHMSA-N
HMDB42799,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,34,37,52H,4-7,9-10,12-15,18,21-23,27,31-33,35-36,38-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-/t52-/m0/s1",LHPZBIZZYPNLRR,LPIRQGJJSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)",LHPZBIZZYPNLRR-LPIRQGJJSA-N
HMDB42800,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,34,36-37,39,52H,4-7,9-10,12-15,18,21-23,27,31-33,35,38,40-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-/t52-/m0/s1",HPGZJQBTXAYDIF,YJUVKPSFSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",HPGZJQBTXAYDIF-YJUVKPSFSA-N
HMDB42801,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,36,39,54H,4-7,9-10,12-15,18,21-23,27-29,31-35,37-38,40-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-,39-36-/t54-/m0/s1",ANHFVOMGUJRNNW,LHZZLDIYSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",ANHFVOMGUJRNNW-LHZZLDIYSA-N
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HMDB42803,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,32,35-36,39,41,44,54H,4-7,9-10,12-15,18,21-23,27,31,33-34,37-38,40,42-43,45-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-,44-41-/t54-/m0/s1",HGSSOIQRVOYIAZ,PXUUFRGNSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HGSSOIQRVOYIAZ-PXUUFRGNSA-N
HMDB42804,820.658090554,C53H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,32,35,50H,4-6,9,12-15,18,21-23,28-31,33-34,36-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,35-32-/t50-/m0/s1",OYLKEHDCBMIMDN,ZXZZNRLFSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",OYLKEHDCBMIMDN-ZXZZNRLFSA-N
HMDB42805,818.642440489,C53H86O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,31-32,34-35,50H,4-6,9,12-15,18,21-23,28-30,33,36-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,34-31-,35-32-/t50-/m0/s1",VGLBRUBGQDUOQL,NSUSQJDQSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",VGLBRUBGQDUOQL-NSUSQJDQSA-N
HMDB42806,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,34,37,52H,4-6,9,12-15,18,21-23,27,31-33,35-36,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-/t52-/m0/s1",YNOODYMGZRDQPJ,YUJFEPSVSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",YNOODYMGZRDQPJ-YUJFEPSVSA-N
HMDB42807,844.658090554,C55H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,34,36-37,39,52H,4-6,9,12-15,18,21-23,27,31-33,35,38,40-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-/t52-/m0/s1",MPYXHGCHIXFINM,FUSCEEFBSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MPYXHGCHIXFINM-FUSCEEFBSA-N
HMDB42808,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,32,35-36,39,54H,4-6,9,12-15,18,21-23,27,31,33-34,37-38,40-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-/t54-/m0/s1",VBYASYPRGKHGEO,IIIIPSGJSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VBYASYPRGKHGEO-IIIIPSGJSA-N
HMDB42809,870.673740618,C57H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,32,35-36,39,41,44,54H,4-6,9,12-15,18,21-23,27,31,33-34,37-38,40,42-43,45-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-,44-41-/t54-/m0/s1",RORKNJAPPCTUJC,RCWWFNFMSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RORKNJAPPCTUJC-RCWWFNFMSA-N
HMDB42810,812.725776191,C53H96O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,35,51H,4-7,9-10,12-16,18-19,21-24,26,28-31,33-34,36-50H2,1-3H3/b11-8-,20-17-,27-25-,35-32-/t51-/m1/s1",CPEWAOUMOIGNES,LGUKSBNYSA,N,"TG(14:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)",CPEWAOUMOIGNES-LGUKSBNYSA-N
HMDB42811,798.673740612,C51H90O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h7,10,16,19,23-24,26-27,48H,4-6,8-9,11-15,17-18,20-22,25,28-47H2,1-3H3/b10-7-,19-16-,24-23-,27-26-",PIXKLFBNFNRBCV,JWGNYCBOSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/14:0)",PIXKLFBNFNRBCV-JWGNYCBOSA-N
HMDB42812,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,49H,4-6,8-9,11-15,17-18,20-23,26,29-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-/t49-/m0/s1",ARLYAAFGQDQZLT,NYTUSQOUSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/15:0)",ARLYAAFGQDQZLT-NYTUSQOUSA-N
HMDB42813,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-/t50-/m0/s1",NWBCFBPYHLFVCX,DKKMQKRTSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/16:0)",NWBCFBPYHLFVCX-DKKMQKRTSA-N
HMDB42814,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,52H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-51H2,1-3H3/b10-7-,19-16-,26-24-,31-29-/t52-/m0/s1",SULWGTRXZRMCQJ,NOYULHPQSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:0)",SULWGTRXZRMCQJ-NOYULHPQSA-N
HMDB42815,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,31,33,54H,4-7,9-10,12-16,18-19,21-24,26,28-30,32,34-53H2,1-3H3/b11-8-,20-17-,27-25-,33-31-/t54-/m0/s1",KXZVZPPTASOQMG,DRYBMPILSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:0)",KXZVZPPTASOQMG-DRYBMPILSA-N
HMDB42816,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,33,35,56H,4-7,9-10,12-16,18-19,21-24,26,28-32,34,36-55H2,1-3H3/b11-8-,20-17-,27-25-,35-33-/t56-/m0/s1",IOJYKQNHTJRQLY,JBWGBULBSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:0)",IOJYKQNHTJRQLY-JBWGBULBSA-N
HMDB42817,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,35,37,58H,4-7,9-10,12-16,18-19,21-24,26,28-34,36,38-57H2,1-3H3/b11-8-,20-17-,27-25-,37-35-/t58-/m0/s1",JXLIWOMLOAXJKY,LCFREUINSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/24:0)",JXLIWOMLOAXJKY-LCFREUINSA-N
HMDB42818,796.658090554,C51H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,26-27,48H,4-6,8-9,11-13,15,18,20-22,25,28-47H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-/t48-/m1/s1",FPNVZRZXWKVNDA,DCCFGSEPSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))",FPNVZRZXWKVNDA-DCCFGSEPSA-N
HMDB42819,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-/t50-/m0/s1",HHEGFGUPEPTNBQ,XNHODMNWSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))",HHEGFGUPEPTNBQ-XNHODMNWSA-N
HMDB42820,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29,31,52H,4-6,8-9,11-15,17-18,21-22,25,27-28,30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,31-29-/t52-/m0/s1",SPKQDEVVANGEJY,BNDMSUNUSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",SPKQDEVVANGEJY-BNDMSUNUSA-N
HMDB42821,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-29,31,52H,4-6,8-9,11-15,17-18,20-23,27,30,32-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,31-29-/t52-/m0/s1",AQOIZNNITCNBQE,DBTYPVFMSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",AQOIZNNITCNBQE-DBTYPVFMSA-N
HMDB42822,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,31,33,54H,4-7,9-10,12-16,18-19,21-23,28-30,32,34-53H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,33-31-/t54-/m0/s1",KHMBATLVCVBMAU,KEFKMZDZSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",KHMBATLVCVBMAU-KEFKMZDZSA-N
HMDB42823,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,30-33,38,41,54H,4-7,9-10,12-16,18-19,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m0/s1",PXMGIPCLOJIGPA,AVPAOJAKSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",PXMGIPCLOJIGPA-AVPAOJAKSA-N
HMDB42824,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,33,35,56H,4-7,9-10,12-16,18-19,21-23,28-32,34,36-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,35-33-/t56-/m0/s1",LGIHJDMYMPRMCJ,AQWGYGIFSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))",LGIHJDMYMPRMCJ-AQWGYGIFSA-N
HMDB42825,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,35,37,58H,4-7,9-10,12-16,18-19,21-23,28-34,36,38-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,37-35-/t58-/m0/s1",HHVUWUPGMOTNBY,FGUBIADHSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))",HHVUWUPGMOTNBY-FGUBIADHSA-N
HMDB42826,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,52H,4-6,8-9,11-15,18,21-23,27,30,32-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m0/s1",LSCULMCSFXCNEZ,DMDUGMRHSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",LSCULMCSFXCNEZ-DMDUGMRHSA-N
HMDB42827,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,33,36,52H,4-6,8-9,11-15,18,21-23,27,30,32,34-35,37-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-/t52-/m0/s1",CPGDXTHYNXRWGX,ZOAYQPSXSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",CPGDXTHYNXRWGX-ZOAYQPSXSA-N
HMDB42828,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31,33,54H,4-7,9-10,12-15,18,21-23,28-30,32,34-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,33-31-/t54-/m0/s1",WODRTTJGYNJVDQ,IWZOZAFPSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)",WODRTTJGYNJVDQ-IWZOZAFPSA-N
HMDB42829,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,54H,4-7,9-10,12-15,18,21-23,28-29,34-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-/t54-/m0/s1",IYPUQWVQVWJBDT,NOWSZDABSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)",IYPUQWVQVWJBDT-NOWSZDABSA-N
HMDB42830,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,38,41,54H,4-7,9-10,12-15,18,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m0/s1",YBJQQZBCTJCFNQ,KPSZALKCSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",YBJQQZBCTJCFNQ-KPSZALKCSA-N
HMDB42831,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,33,35,56H,4-7,9-10,12-15,18,21-23,28-32,34,36-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,35-33-/t56-/m0/s1",ZMQNOSHAYHLRCQ,OGWOYHRGSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",ZMQNOSHAYHLRCQ-OGWOYHRGSA-N
HMDB42832,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31,33-35,37,56H,4-7,9-10,12-15,18,21-23,28,30,32,36,38-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-/t56-/m0/s1",LACPGFOMQASAFJ,CJZZTXEDSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",LACPGFOMQASAFJ-CJZZTXEDSA-N
HMDB42833,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31,33-35,37,43,46,56H,4-7,9-10,12-15,18,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-/t56-/m0/s1",OIAXGMPMFLBWEB,JRLXNBGBSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OIAXGMPMFLBWEB-JRLXNBGBSA-N
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HMDB42835,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-29,31,33,36,52H,4-6,9,12-15,18,21-23,27,30,32,34-35,37-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-/t52-/m0/s1",PACYVUANHVJKBP,IEZFEZBRSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",PACYVUANHVJKBP-IEZFEZBRSA-N
HMDB42836,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,54H,4-6,9,12-15,18,21-23,28-29,34-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-/t54-/m0/s1",CJQMVWLALQLDMB,SICZVAPUSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",CJQMVWLALQLDMB-SICZVAPUSA-N
HMDB42837,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,38,41,54H,4-6,9,12-15,18,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m0/s1",LTZCGCROYYBEHK,JWNVSAPISA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LTZCGCROYYBEHK-JWNVSAPISA-N
HMDB42838,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31,33-35,37,56H,4-6,9,12-15,18,21-23,28,30,32,36,38-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-/t56-/m0/s1",GQNNXOVIYAQPRC,YXDIGCQTSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GQNNXOVIYAQPRC-YXDIGCQTSA-N
HMDB42839,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31,33-35,37,43,46,56H,4-6,9,12-15,18,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-/t56-/m0/s1",ALAWXLXGARMYDF,JTRDYRDDSA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ALAWXLXGARMYDF-JTRDYRDDSA-N
HMDB42840,840.75707632,C55H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,53H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-52H2,1-3H3/b10-7-,19-16-,26-24-,31-29-/t53-/m1/s1",ZQQSSINLSYNBNF,SUXJWQOASA,N,"TG(14:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)",ZQQSSINLSYNBNF-SUXJWQOASA-N
HMDB42841,796.658090548,C51H88O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h7,10,16,19,23-24,26-27,33,36,48H,4-6,8-9,11-15,17-18,20-22,25,28-32,34-35,37-47H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,36-33-",DCHPLFCAGMMTDL,BTSXPGEXSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:0)",DCHPLFCAGMMTDL-BTSXPGEXSA-N
HMDB42842,810.673740618,C52H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,34,37,49H,4-6,8-9,11-15,17-18,20-23,26,29-33,35-36,38-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,37-34-/t49-/m0/s1",MNZOVLOAKLLMAU,UUYRFDKZSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/15:0)",MNZOVLOAKLLMAU-UUYRFDKZSA-N
HMDB42843,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,35,38,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-,38-35-/t50-/m0/s1",HSIIRCWKJOGOIZ,UYYZFMNMSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:0)",HSIIRCWKJOGOIZ-UYYZFMNMSA-N
HMDB42844,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,37,40,52H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,40-37-/t52-/m0/s1",RKFWDJFGPBNCBJ,WPRFDENESA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)",RKFWDJFGPBNCBJ-WPRFDENESA-N
HMDB42845,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,31,33,39,42,54H,4-7,9-10,12-16,18-19,21-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b11-8-,20-17-,27-25-,33-31-,42-39-/t54-/m0/s1",GBJTZFHEXHJBKU,SDWVEHCDSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)",GBJTZFHEXHJBKU-SDWVEHCDSA-N
HMDB42846,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,33,35,41,44,56H,4-7,9-10,12-16,18-19,21-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,27-25-,35-33-,44-41-/t56-/m0/s1",QLYLQOJALVCDKO,NRFQUVMDSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)",QLYLQOJALVCDKO-NRFQUVMDSA-N
HMDB42847,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,35,37,43,46,58H,4-7,9-10,12-16,18-19,21-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,27-25-,37-35-,46-43-/t58-/m0/s1",IJJARVLDUXPFPR,CBIIYJBKSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)",IJJARVLDUXPFPR-CBIIYJBKSA-N
HMDB42848,794.642440489,C51H86O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,26-27,33,36,48H,4-6,8-9,11-13,15,18,20-22,25,28-32,34-35,37-47H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,36-33-/t48-/m1/s1",PIWZWDZMTPHNFN,GUEGCVHPSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))",PIWZWDZMTPHNFN-GUEGCVHPSA-N
HMDB42849,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,35,38,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-,38-35-/t50-/m0/s1",RVUXFWDAYMVEOQ,ZTCNLDAOSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))",RVUXFWDAYMVEOQ-ZTCNLDAOSA-N
HMDB42850,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29,31,37,40,52H,4-6,8-9,11-15,17-18,21-22,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,31-29-,40-37-/t52-/m0/s1",FHDMXGUOCHGQBU,SUHAJCNOSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))",FHDMXGUOCHGQBU-SUHAJCNOSA-N
HMDB42851,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-29,31,37,40,52H,4-6,8-9,11-15,17-18,20-23,27,30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",ZMWNNOARJACNJN,WANVHKJPSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",ZMWNNOARJACNJN-WANVHKJPSA-N
HMDB42852,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,31,33,39,42,54H,4-7,9-10,12-16,18-19,21-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,33-31-,42-39-/t54-/m0/s1",MIZOYSJLAYDXPA,RHUVPAGGSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",MIZOYSJLAYDXPA-RHUVPAGGSA-N
HMDB42853,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,30-33,38-39,41-42,54H,4-7,9-10,12-16,18-19,21-23,28-29,34-37,40,43-53H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",LDKQVFKVKAZCIO,DUHRHBRZSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",LDKQVFKVKAZCIO-DUHRHBRZSA-N
HMDB42854,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,33,35,41,44,56H,4-7,9-10,12-16,18-19,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,35-33-,44-41-/t56-/m0/s1",LTADAXIMWFLDMH,SXABBOOKSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",LTADAXIMWFLDMH-SXABBOOKSA-N
HMDB42855,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,35,37,43,46,58H,4-7,9-10,12-16,18-19,21-23,28-34,36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,37-35-,46-43-/t58-/m0/s1",YHSGCQGVYIYRQL,QQVQAJDBSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",YHSGCQGVYIYRQL-QQVQAJDBSA-N
HMDB42856,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,37,40,52H,4-6,8-9,11-15,18,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",VVAJKRJSZSAKHQ,OCIRQVCHSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",VVAJKRJSZSAKHQ-OCIRQVCHSA-N
HMDB42857,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,33,36-37,40,52H,4-6,8-9,11-15,18,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-/t52-/m0/s1",ZBUHAXZZTSPAOF,HUNAEAPFSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",ZBUHAXZZTSPAOF-HUNAEAPFSA-N
HMDB42858,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31,33,39,42,54H,4-7,9-10,12-15,18,21-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,33-31-,42-39-/t54-/m0/s1",AYJRPBZMULEVHU,IOZYFHOESA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",AYJRPBZMULEVHU-IOZYFHOESA-N
HMDB42859,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,39,42,54H,4-7,9-10,12-15,18,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-/t54-/m0/s1",QIQYNBPJOVPARP,VOUXFEGQSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",QIQYNBPJOVPARP-VOUXFEGQSA-N
HMDB42860,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,38-39,41-42,54H,4-7,9-10,12-15,18,21-23,28-29,34-37,40,43-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",ZGYYYZGIBXEJMD,HUKAXYMHSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",ZGYYYZGIBXEJMD-HUKAXYMHSA-N
HMDB42861,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,33,35,41,44,56H,4-7,9-10,12-15,18,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,35-33-,44-41-/t56-/m0/s1",WJILGYKNIWRCRZ,LQEIUWTGSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",WJILGYKNIWRCRZ-LQEIUWTGSA-N
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HMDB42863,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-7,9-10,12-15,18,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-/t56-/m0/s1",JCGFGRHJETYRAB,NVRQRQMMSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JCGFGRHJETYRAB-NVRQRQMMSA-N
HMDB42864,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-29,31,37,40,52H,4-6,9,12-15,18,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",OXHOHPUNYYXHGD,AVMWFFOZSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",OXHOHPUNYYXHGD-AVMWFFOZSA-N
HMDB42865,844.658090554,C55H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-29,31,33,36-37,40,52H,4-6,9,12-15,18,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-/t52-/m0/s1",MLHCGUJDKPOPHO,YUFOZYHJSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",MLHCGUJDKPOPHO-YUFOZYHJSA-N
HMDB42866,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,39,42,54H,4-6,9,12-15,18,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-/t54-/m0/s1",NXMFIMYPCSTZJN,VIYVBYRBSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",NXMFIMYPCSTZJN-VIYVBYRBSA-N
HMDB42867,870.673740618,C57H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,38-39,41-42,54H,4-6,9,12-15,18,21-23,28-29,34-37,40,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",KLJOMGXQBVTJME,ORRZLFISSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KLJOMGXQBVTJME-ORRZLFISSA-N
HMDB42868,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31,33-35,37,41,44,56H,4-6,9,12-15,18,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-/t56-/m0/s1",MOLWTFYARUQBMY,VOMLXGGESA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MOLWTFYARUQBMY-VOMLXGGESA-N
HMDB42869,896.689390682,C59H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,9,12-15,18,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-/t56-/m0/s1",ZYYDZBCQQTWKIA,GPSYTHAZSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZYYDZBCQQTWKIA-GPSYTHAZSA-N
HMDB42870,838.741426256,C55H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,37,40,53H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,40-37-/t53-/m1/s1",CTBYABNARYJUOG,PXJWLBIOSA,N,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)",CTBYABNARYJUOG-PXJWLBIOSA-N
HMDB42871,824.689390676,C53H92O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,16,19,23-24,26-27,29,32,50H,4-6,8-9,11-15,17-18,20-22,25,28,30-31,33-49H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,32-29-",PYZIDLXGKUNZQM,AKKLHSLLSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:0)",PYZIDLXGKUNZQM-AKKLHSLLSA-N
HMDB42872,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-/t51-/m0/s1",CYCGBTMHXZVKRA,WKQINSMFSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/15:0)",CYCGBTMHXZVKRA-WKQINSMFSA-N
HMDB42873,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,34,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32-33,35-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,34-31-/t52-/m0/s1",XDVVZXAIBRKPCM,FVSUUZJRSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",XDVVZXAIBRKPCM-FVSUUZJRSA-N
HMDB42874,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,28-29,33,36,54H,4-6,8-9,11-15,17-18,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,36-33-/t54-/m0/s1",VTZCRGVLPMDWGI,SIQVBALXSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",VTZCRGVLPMDWGI-SIQVBALXSA-N
HMDB42875,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,35,38,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,38-35-/t56-/m0/s1",HJKCDVVYHBOAFL,CVAQNUKQSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)",HJKCDVVYHBOAFL-CVAQNUKQSA-N
HMDB42876,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,31,33,37,40,58H,4-7,9-10,12-16,18-19,21-24,26,28-30,32,34-36,38-39,41-57H2,1-3H3/b11-8-,20-17-,27-25-,33-31-,40-37-/t58-/m0/s1",QAUXIIIJEYVSRM,YMPWWFNGSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)",QAUXIIIJEYVSRM-YMPWWFNGSA-N
HMDB42877,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,35,39,42,60H,4-7,9-10,12-16,18-19,21-24,26,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,27-25-,35-32-,42-39-/t60-/m0/s1",UAZSECASKQJKIA,XUBMUDRRSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)",UAZSECASKQJKIA-XUBMUDRRSA-N
HMDB42878,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,26-27,29,32,50H,4-6,8-9,11-13,15,18,20-22,25,28,30-31,33-49H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,32-29-/t50-/m1/s1",RZGHDVUKXHCSME,MPNXNHHJSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",RZGHDVUKXHCSME-MPNXNHHJSA-N
HMDB42879,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,34,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32-33,35-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,34-31-/t52-/m0/s1",NKKBIIQTYPZJAM,LLCRUVCOSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",NKKBIIQTYPZJAM-LLCRUVCOSA-N
HMDB42880,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,28-29,33,36,54H,4-6,8-9,11-15,17-18,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-28-,36-33-/t54-/m0/s1",MTVXAHPPBQFUPS,GVZRGWGESA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",MTVXAHPPBQFUPS-GVZRGWGESA-N
HMDB42881,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,33,36,54H,4-6,8-9,11-15,17-18,20-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",XGRKXOUCIUCOOW,ACYRNCCJSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",XGRKXOUCIUCOOW-ACYRNCCJSA-N
HMDB42882,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,35,38,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",JGUOHTOLZPCHHK,CWHWLPKQSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",JGUOHTOLZPCHHK-CWHWLPKQSA-N
HMDB42883,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31-32,34-35,38,40,43,56H,4-6,8-9,11-15,17-18,20-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-/t56-/m0/s1",SKQPZESEGMMMHE,LYKFEIEISA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",SKQPZESEGMMMHE-LYKFEIEISA-N
HMDB42884,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,31,33,37,40,58H,4-7,9-10,12-16,18-19,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,33-31-,40-37-/t58-/m0/s1",QUXOWELSRSCGPW,CQXUUUIJSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",QUXOWELSRSCGPW-CQXUUUIJSA-N
HMDB42885,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,35,39,42,60H,4-7,9-10,12-16,18-19,21-23,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,35-32-,42-39-/t60-/m0/s1",MFBJAFVRSRFNBT,LQBAZZTJSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",MFBJAFVRSRFNBT-LQBAZZTJSA-N
HMDB42886,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,36,54H,4-6,8-9,11-15,18,21-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",NCQCYVUBHSMQHL,BGUOWRGWSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",NCQCYVUBHSMQHL-BGUOWRGWSA-N
HMDB42887,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,35-36,38,54H,4-6,8-9,11-15,18,21-23,27,31-32,34,37,39-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-/t54-/m0/s1",RMVAFNIGNVEVLR,HKIDJAKPSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",RMVAFNIGNVEVLR-HKIDJAKPSA-N
HMDB42888,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,35,38,56H,4-6,8-9,11-15,18,21-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",ARQGXRURKPRSKJ,ZFQBWORJSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",ARQGXRURKPRSKJ-ZFQBWORJSA-N
HMDB42889,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1",LGWCEYUZMHAKPX,CBINDYQCSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",LGWCEYUZMHAKPX-CBINDYQCSA-N
HMDB42890,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,40,43,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-/t56-/m0/s1",ADFSEZIUBMYLQX,ZSEFFTMLSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",ADFSEZIUBMYLQX-ZSEFFTMLSA-N
HMDB42891,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31,33,37,40,58H,4-7,9-10,12-15,18,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,33-31-,40-37-/t58-/m0/s1",XHICGHKBXAWZIH,PAUCRLHWSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",XHICGHKBXAWZIH-PAUCRLHWSA-N
HMDB42892,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,36-37,39-40,58H,4-7,9-10,12-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m0/s1",DRHIGSJFLRAYEL,YQFWDPSNSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",DRHIGSJFLRAYEL-YQFWDPSNSA-N
HMDB42893,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-7,9-10,12-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-/t58-/m0/s1",DBOVHWIGLYEDPN,GIWHKGTRSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DBOVHWIGLYEDPN-GIWHKGTRSA-N
HMDB42894,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,36,54H,4-6,9,12-15,18,21-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",VJNUUZOGJOTPTD,YONMVJMMSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",VJNUUZOGJOTPTD-YONMVJMMSA-N
HMDB42895,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,35-36,38,54H,4-6,9,12-15,18,21-23,27,31-32,34,37,39-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-/t54-/m0/s1",ODENEHKGSPSQMJ,UCRBJOOFSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",ODENEHKGSPSQMJ-UCRBJOOFSA-N
HMDB42896,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-6,9,12-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1",GJQHRPDIWSJRQK,BRSLTISYSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",GJQHRPDIWSJRQK-BRSLTISYSA-N
HMDB42897,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31-32,34-35,38,40,43,56H,4-6,9,12-15,18,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-/t56-/m0/s1",JBOFMOUUMPXXFH,XEEZCPKJSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JBOFMOUUMPXXFH-XEEZCPKJSA-N
HMDB42898,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,36-37,39-40,58H,4-6,9,12-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m0/s1",UZCZHIUUHTVMNV,RWWFQHGJSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UZCZHIUUHTVMNV-RWWFQHGJSA-N
HMDB42899,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,9,12-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-/t58-/m0/s1",KRMCNOVCWGWYHP,CMNCQYTJSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KRMCNOVCWGWYHP-CMNCQYTJSA-N
HMDB42900,866.772726384,C57H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,33,36,55H,4-6,8-9,11-15,17-18,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,19-16-,26-24-,30-29-,36-33-/t55-/m1/s1",YGLHPJUQMNWNAS,KDOAUKQCSA,N,"TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",YGLHPJUQMNWNAS-KDOAUKQCSA-N
HMDB42901,822.673740612,C53H90O6,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,16,19,23-24,26-27,29,32,38,41,50H,4-6,8-9,11-15,17-18,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,32-29-,41-38-",MOJPINCPRSTPNA,OJMUMCIQSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)",MOJPINCPRSTPNA-OJMUMCIQSA-N
HMDB42902,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,39,42,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-38,40-41,43-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-,42-39-/t51-/m0/s1",FMPMEJFHALKHLO,HAQRQKKRSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)",FMPMEJFHALKHLO-HAQRQKKRSA-N
HMDB42903,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,34,40,43,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,34-31-,43-40-/t52-/m0/s1",JCUCHDYOBULFOE,QNNUUXIXSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",JCUCHDYOBULFOE-QNNUUXIXSA-N
HMDB42904,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,20-23,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,36-33-,45-42-/t54-/m0/s1",ZUTINBYATLFKFK,MNYMDNBASA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",ZUTINBYATLFKFK-MNYMDNBASA-N
HMDB42905,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,35,38,44,47,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,38-35-,47-44-/t56-/m0/s1",MXOFRGVXFYLUEI,JPXIWMMKSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)",MXOFRGVXFYLUEI-JPXIWMMKSA-N
HMDB42906,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,31,33,37,40,46,49,58H,4-7,9-10,12-16,18-19,21-24,26,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,20-17-,27-25-,33-31-,40-37-,49-46-/t58-/m0/s1",ZLUDBCJTNDOETB,CAROPSDUSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)",ZLUDBCJTNDOETB-CAROPSDUSA-N
HMDB42907,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,35,39,42,48,51,60H,4-7,9-10,12-16,18-19,21-24,26,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,27-25-,35-32-,42-39-,51-48-/t60-/m0/s1",ZFXPLVLFBHYGSN,SENYAZDGSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)",ZFXPLVLFBHYGSN-SENYAZDGSA-N
HMDB42908,820.658090554,C53H88O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,26-27,29,32,38,41,50H,4-6,8-9,11-13,15,18,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,32-29-,41-38-/t50-/m1/s1",JARRLICZSYNRIF,YDMPNWPSSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",JARRLICZSYNRIF-YDMPNWPSSA-N
HMDB42909,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,34,40,43,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,34-31-,43-40-/t52-/m0/s1",KTYZIJADBWMXJH,FNZTZTFLSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",KTYZIJADBWMXJH-FNZTZTFLSA-N
HMDB42910,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,21-22,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-28-,36-33-,45-42-/t54-/m0/s1",PMRKCWCMHDTMGT,ZXKGVMEHSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",PMRKCWCMHDTMGT-ZXKGVMEHSA-N
HMDB42911,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,33,36,42,45,54H,4-6,8-9,11-15,17-18,20-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,30-25-,36-33-,45-42-/t54-/m0/s1",JBFIWHAILYRRKH,RHMALLIXSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",JBFIWHAILYRRKH-RHMALLIXSA-N
HMDB42912,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,35,38,44,47,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,38-35-,47-44-/t56-/m0/s1",MBBOPJKEJPIYMU,TWSBXPPDSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",MBBOPJKEJPIYMU-TWSBXPPDSA-N
HMDB42913,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-6,8-9,11-15,17-18,20-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-/t56-/m0/s1",ZYWNYYJHZYDVCC,SRDKIHLBSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",ZYWNYYJHZYDVCC-SRDKIHLBSA-N
HMDB42914,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,31,33,37,40,46,49,58H,4-7,9-10,12-16,18-19,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-/t58-/m0/s1",JFIYOODNNRTMHU,DFMOZNTASA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",JFIYOODNNRTMHU-DFMOZNTASA-N
HMDB42915,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,35,39,42,48,51,60H,4-7,9-10,12-16,18-19,21-23,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,35-32-,42-39-,51-48-/t60-/m0/s1",LBYRDZZSCUYOIH,ZSUAIMJGSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",LBYRDZZSCUYOIH-ZSUAIMJGSA-N
HMDB42916,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,36,42,45,54H,4-6,8-9,11-15,18,21-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,45-42-/t54-/m0/s1",IVRRJGRDYITNER,HKFFWJTQSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",IVRRJGRDYITNER-HKFFWJTQSA-N
HMDB42917,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,35-36,38,42,45,54H,4-6,8-9,11-15,18,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-/t54-/m0/s1",CXTYIPQRWLYLOO,IDZYQVHSSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",CXTYIPQRWLYLOO-IDZYQVHSSA-N
HMDB42918,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,35,38,44,47,56H,4-6,8-9,11-15,18,21-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,38-35-,47-44-/t56-/m0/s1",CCCOVEDRGRQFKS,BCHDFBIDSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",CCCOVEDRGRQFKS-BCHDFBIDSA-N
HMDB42919,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,44,47,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-/t56-/m0/s1",KZROWLZDIGBBIN,PEFZUGBZSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",KZROWLZDIGBBIN-PEFZUGBZSA-N
HMDB42920,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-/t56-/m0/s1",OHSOKGGDFMFPND,OKNFMDMXSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",OHSOKGGDFMFPND-OKNFMDMXSA-N
HMDB42921,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31,33,37,40,46,49,58H,4-7,9-10,12-15,18,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-/t58-/m0/s1",CIYBUEXBXJPMDN,FAFQTRASSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",CIYBUEXBXJPMDN-FAFQTRASSA-N
HMDB42922,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,36-37,39-40,46,49,58H,4-7,9-10,12-15,18,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-/t58-/m0/s1",KBLFBANJOJLEQD,SKOCCOGHSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",KBLFBANJOJLEQD-SKOCCOGHSA-N
HMDB42923,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-7,9-10,12-15,18,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-/t58-/m0/s1",NBPKLINXFYFXMU,GILQWAALSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",NBPKLINXFYFXMU-GILQWAALSA-N
HMDB42924,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,36,42,45,54H,4-6,9,12-15,18,21-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,45-42-/t54-/m0/s1",VZRPFFOMOHSSRQ,NKFURRODSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",VZRPFFOMOHSSRQ-NKFURRODSA-N
HMDB42925,870.673740618,C57H90O6,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,35-36,38,42,45,54H,4-6,9,12-15,18,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-/t54-/m0/s1",TVMVZRLCQZWVGG,BUNRTSTPSA,N,"TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",TVMVZRLCQZWVGG-BUNRTSTPSA-N
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HMDB42936,876.850976706,C57H112O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m0/s1",WBJNDGHQTFZYMB,GNFJTHHVSA,N,TG(14:0/o-18:0/22:0),WBJNDGHQTFZYMB-GNFJTHHVSA-N
HMDB42937,904.882276835,C59H116O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m0/s1",NIFONVXCTTXTDG,SMWREMLRSA,N,TG(14:0/o-18:0/24:0),NIFONVXCTTXTDG-SMWREMLRSA-N
HMDB42938,762.710126127,C49H94O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H94O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-47(45-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2)46-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3/h14,17,47H,4-13,15-16,18-46H2,1-3H3/b17-14-/t47-/m1/s1",ZYNWKRJFYHEKLJ,BJQOKWRCSA,N,TG(14:0/o-18:0/14:1(9Z)),ZYNWKRJFYHEKLJ-BJQOKWRCSA-N
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HMDB42941,818.772726384,C53H102O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,51H,4-24,26,28-50H2,1-3H3/b27-25-/t51-/m0/s1",GACNCIUEQJFNCV,CBOCDEIPSA,N,TG(14:0/o-18:0/18:1(9Z)),GACNCIUEQJFNCV-CBOCDEIPSA-N
HMDB42942,846.804026513,C55H106O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,53H,4-23,25,27-52H2,1-3H3/b26-24-/t53-/m0/s1",AITDEPXVXOJZSK,NRDNLCTJSA,N,TG(14:0/o-18:0/20:1(11Z)),AITDEPXVXOJZSK-NRDNLCTJSA-N
HMDB42943,842.772726384,C55H102O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,29,31,37,40,53H,4-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b26-24-,31-29-,40-37-/t53-/m0/s1",VMJJCASFGIUXQS,CNSUNOORSA,N,"TG(14:0/o-18:0/20:3(5Z,8Z,11Z))",VMJJCASFGIUXQS-CNSUNOORSA-N
HMDB42944,874.835326642,C57H110O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h24,26,55H,4-23,25,27-54H2,1-3H3/b26-24-/t55-/m0/s1",AIBSNIRRVBNNBP,OONHBSBMSA,N,TG(14:0/o-18:0/22:1(13Z)),AIBSNIRRVBNNBP-OONHBSBMSA-N
HMDB42945,902.866626771,C59H114O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h24,26,57H,4-23,25,27-56H2,1-3H3/b26-24-/t57-/m0/s1",OHGQZSIZFJHEIP,YONWZPPLSA,N,TG(14:0/o-18:0/24:1(15Z)),OHGQZSIZFJHEIP-YONWZPPLSA-N
HMDB42946,816.75707632,C53H100O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,51H,4-16,18-19,21-24,26,28-50H2,1-3H3/b20-17-,27-25-/t51-/m0/s1",GALRBVXQCSIHTJ,ZZPLNQQVSA,N,"TG(14:0/o-18:0/18:2(9Z,12Z))",GALRBVXQCSIHTJ-ZZPLNQQVSA-N
HMDB42947,814.741426256,C53H98O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,35,51H,4-16,18-19,21-24,26,28-31,33-34,36-50H2,1-3H3/b20-17-,27-25-,35-32-/t51-/m0/s1",ZSVBWANURYRSSD,XUDBUNQUSA,N,"TG(14:0/o-18:0/18:3(6Z,9Z,12Z))",ZSVBWANURYRSSD-XUDBUNQUSA-N
HMDB42948,844.788376449,C55H104O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,53H,4-15,17-18,20-23,25,27-52H2,1-3H3/b19-16-,26-24-/t53-/m0/s1",NANWGJWRBDWSPF,GXEIOKSRSA,N,TG(14:0/o-18:0/20:2n6),NANWGJWRBDWSPF-GXEIOKSRSA-N
HMDB42949,842.772726384,C55H102O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,53H,4-15,17-18,20-23,25,27-28,30,32-52H2,1-3H3/b19-16-,26-24-,31-29-/t53-/m0/s1",STLRCTZSDOQPTC,IHRSHADNSA,N,TG(14:0/o-18:0/20:3n6),STLRCTZSDOQPTC-IHRSHADNSA-N
HMDB42950,840.75707632,C55H100O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,37,40,53H,4-15,17-18,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b19-16-,26-24-,31-29-,40-37-/t53-/m0/s1",LLRPTMIRTWIVBQ,WELVWALLSA,N,"TG(14:0/o-18:0/20:4(5Z,8Z,11Z,14Z))",LLRPTMIRTWIVBQ-WELVWALLSA-N
HMDB42951,872.819676578,C57H108O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,55H,4-15,17-18,20-23,25,27-54H2,1-3H3/b19-16-,26-24-/t55-/m0/s1",XWRYCQWBEBYSNE,LGLGMRHHSA,N,"TG(14:0/o-18:0/22:2(13Z,16Z))",XWRYCQWBEBYSNE-LGLGMRHHSA-N
HMDB42952,868.788376449,C57H104O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-/t55-/m0/s1",FVACYRCSAZRBJC,FOUBHQQHSA,N,"TG(14:0/o-18:0/22:4(7Z,10Z,13Z,16Z))",FVACYRCSAZRBJC-FOUBHQQHSA-N
HMDB42953,866.772726384,C57H102O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,42,45,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-,45-42-/t55-/m0/s1",DHPCZZMWIIRYJJ,JZMVMTFHSA,N,"TG(14:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",DHPCZZMWIIRYJJ-JZMVMTFHSA-N
HMDB42954,814.741426256,C53H98O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,51H,4-7,9-10,12-16,18-19,21-24,26,28-50H2,1-3H3/b11-8-,20-17-,27-25-/t51-/m0/s1",JVQPMEHNCRQDEV,LKQOCZCUSA,N,"TG(14:0/o-18:0/18:3(9Z,12Z,15Z))",JVQPMEHNCRQDEV-LKQOCZCUSA-N
HMDB42955,812.725776191,C53H96O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,35,51H,4-7,9-10,12-16,18-19,21-24,26,28-31,33-34,36-50H2,1-3H3/b11-8-,20-17-,27-25-,35-32-/t51-/m0/s1",PJVLGMXQKWNEBD,NWDKAOCPSA,N,"TG(14:0/o-18:0/18:4(6Z,9Z,12Z,15Z))",PJVLGMXQKWNEBD-NWDKAOCPSA-N
HMDB42956,840.75707632,C55H100O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,53H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-52H2,1-3H3/b10-7-,19-16-,26-24-,31-29-/t53-/m0/s1",FSEBOYSYZKMDKC,YBJMXUKNSA,N,"TG(14:0/o-18:0/20:4(8Z,11Z,14Z,17Z))",FSEBOYSYZKMDKC-YBJMXUKNSA-N
HMDB42957,838.741426256,C55H98O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,37,40,53H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,40-37-/t53-/m0/s1",TZXMSONPXDUMEW,IYIGBQIMSA,N,"TG(14:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",TZXMSONPXDUMEW-IYIGBQIMSA-N
HMDB42958,866.772726384,C57H102O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,33,36,55H,4-6,8-9,11-15,17-18,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,19-16-,26-24-,30-29-,36-33-/t55-/m0/s1",ZAMYFQHKFGFWHM,PWMOXTNPSA,N,"TG(14:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",ZAMYFQHKFGFWHM-PWMOXTNPSA-N
HMDB42959,864.75707632,C57H100O5,[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,33,36,42,45,55H,4-6,8-9,11-15,17-18,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,26-24-,30-29-,36-33-,45-42-/t55-/m0/s1",CQIKEQVNZBSLNR,ZXLHTTMRSA,N,"TG(14:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CQIKEQVNZBSLNR-ZXLHTTMRSA-N
HMDB42960,750.673740612,C47H90O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-44(53-47(50)41-38-35-32-29-24-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3",MLEFRDDBNGCWLN,UHFFFAOYSA,N,TG(15:0/14:0/15:0),MLEFRDDBNGCWLN-UHFFFAOYSA-N
HMDB42961,764.689390682,C48H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-30-25-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3/t45-/m0/s1",NDQVWAAIVYJSTJ,GWHBCOKCSA,N,TG(15:0/14:0/16:0),NDQVWAAIVYJSTJ-GWHBCOKCSA-N
HMDB42962,792.720690811,C50H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3/t47-/m0/s1",DZULTSRVQXYRKZ,MFERNQICSA,N,TG(15:0/14:0/18:0),DZULTSRVQXYRKZ-MFERNQICSA-N
HMDB42963,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m0/s1",CLMFBIVKXFVYHM,GGCSAXROSA,N,TG(15:0/14:0/20:0),CLMFBIVKXFVYHM-GGCSAXROSA-N
HMDB42964,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m0/s1",BGNBVXOCPNLWHA,XHIZWQFQSA,N,TG(15:0/14:0/22:0),BGNBVXOCPNLWHA-XHIZWQFQSA-N
HMDB42965,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1",PDRGDWNVCXFWLR,DTSDQNDWSA,N,TG(15:0/14:0/24:0),PDRGDWNVCXFWLR-DTSDQNDWSA-N
HMDB42966,734.642440489,C46H86O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C46H86O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-43(52-46(49)40-37-34-31-28-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,43H,4-13,15-16,18-42H2,1-3H3/b17-14-/t43-/m1/s1",ICZGKLJORYWADN,FKFLSBRZSA,N,TG(15:0/14:0/14:1(9Z)),ICZGKLJORYWADN-FKFLSBRZSA-N
HMDB42967,762.673740618,C48H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C48H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-30-25-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,22,45H,4-18,20-21,23-44H2,1-3H3/b22-19-/t45-/m0/s1",UVPZJZVSKOGBSS,ZOATTWBSSA,N,TG(15:0/14:0/16:1(9Z)),UVPZJZVSKOGBSS-ZOATTWBSSA-N
HMDB42968,790.705040747,C50H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-/t47-/m0/s1",QXBYELOJHNXZHV,KWLHUJJFSA,N,TG(15:0/14:0/18:1(11Z)),QXBYELOJHNXZHV-KWLHUJJFSA-N
HMDB42969,790.705040747,C50H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h24-25,47H,4-23,26-46H2,1-3H3/b25-24-/t47-/m0/s1",QJSQJKZBMJFBNS,BQDYWPKPSA,N,TG(15:0/14:0/18:1(9Z)),QJSQJKZBMJFBNS-BQDYWPKPSA-N
HMDB42970,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h24-25,49H,4-23,26-48H2,1-3H3/b25-24-/t49-/m0/s1",OXIZKITYQYMBDA,AHTWSVOLSA,N,TG(15:0/14:0/20:1(11Z)),OXIZKITYQYMBDA-AHTWSVOLSA-N
HMDB42971,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h24-25,27-28,33,36,49H,4-23,26,29-32,34-35,37-48H2,1-3H3/b25-24-,28-27-,36-33-/t49-/m0/s1",AHJNJCGMGYRDCA,SEFBPNTPSA,N,"TG(15:0/14:0/20:3(5Z,8Z,11Z))",AHJNJCGMGYRDCA-SEFBPNTPSA-N
HMDB42972,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h24-25,51H,4-23,26-50H2,1-3H3/b25-24-/t51-/m0/s1",HWVIZZONLQJAIA,SQWFITPDSA,N,TG(15:0/14:0/22:1(13Z)),HWVIZZONLQJAIA-SQWFITPDSA-N
HMDB42973,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-23-20-17-14-11-8-5-2/h24-25,53H,4-23,26-52H2,1-3H3/b25-24-/t53-/m0/s1",HATRNKCIPFNETQ,VYMJCRDDSA,N,TG(15:0/14:0/24:1(15Z)),HATRNKCIPFNETQ-VYMJCRDDSA-N
HMDB42974,788.689390682,C50H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h16,19,24-25,47H,4-15,17-18,20-23,26-46H2,1-3H3/b19-16-,25-24-/t47-/m0/s1",YDPUNBXHZWWLKE,KNTGKAQQSA,N,"TG(15:0/14:0/18:2(9Z,12Z))",YDPUNBXHZWWLKE-KNTGKAQQSA-N
HMDB42975,786.673740618,C50H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h16,19,24-25,29,31,47H,4-15,17-18,20-23,26-28,30,32-46H2,1-3H3/b19-16-,25-24-,31-29-/t47-/m0/s1",PZAHGZPVUOYZAJ,BSEPOFEBSA,N,"TG(15:0/14:0/18:3(6Z,9Z,12Z))",PZAHGZPVUOYZAJ-BSEPOFEBSA-N
HMDB42976,816.720690811,C52H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h16,19,24-25,49H,4-15,17-18,20-23,26-48H2,1-3H3/b19-16-,25-24-/t49-/m0/s1",MWTAHGOGYFYUAO,ASUOMLQXSA,N,TG(15:0/14:0/20:2n6),MWTAHGOGYFYUAO-ASUOMLQXSA-N
HMDB42977,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,49H,4-15,17-18,20-23,26,29-48H2,1-3H3/b19-16-,25-24-,28-27-/t49-/m0/s1",RGYXUSOMNMRNLR,AMZISIEYSA,N,TG(15:0/14:0/20:3n6),RGYXUSOMNMRNLR-AMZISIEYSA-N
HMDB42978,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,33,36,49H,4-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b19-16-,25-24-,28-27-,36-33-/t49-/m0/s1",LKBZRKMQPKKCRM,HGRWMSJVSA,N,"TG(15:0/14:0/20:4(5Z,8Z,11Z,14Z))",LKBZRKMQPKKCRM-HGRWMSJVSA-N
HMDB42979,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h16,19,24-25,51H,4-15,17-18,20-23,26-50H2,1-3H3/b19-16-,25-24-/t51-/m0/s1",WUKDUXNOIGYONJ,IWMQZHJISA,N,"TG(15:0/14:0/22:2(13Z,16Z))",WUKDUXNOIGYONJ-IWMQZHJISA-N
HMDB42980,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,51H,4-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-/t51-/m0/s1",CBKWLDHUQCKMFC,SVIBBISDSA,N,"TG(15:0/14:0/22:4(7Z,10Z,13Z,16Z))",CBKWLDHUQCKMFC-SVIBBISDSA-N
HMDB42981,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,38,41,51H,4-15,17-18,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-,41-38-/t51-/m0/s1",DYFYIOYVBZBHJQ,KCKPTAAPSA,N,"TG(15:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",DYFYIOYVBZBHJQ-KCKPTAAPSA-N
HMDB42982,786.673740618,C50H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,47H,4-6,8-9,11-15,17-18,20-23,26-46H2,1-3H3/b10-7-,19-16-,25-24-/t47-/m0/s1",KBNWWLCSPZENBL,IWSFDNRQSA,N,"TG(15:0/14:0/18:3(9Z,12Z,15Z))",KBNWWLCSPZENBL-IWSFDNRQSA-N
HMDB42983,784.658090554,C50H88O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,29,31,47H,4-6,8-9,11-15,17-18,20-23,26-28,30,32-46H2,1-3H3/b10-7-,19-16-,25-24-,31-29-/t47-/m0/s1",WVRXAZSPLASSDP,IIKFCAKUSA,N,"TG(15:0/14:0/18:4(6Z,9Z,12Z,15Z))",WVRXAZSPLASSDP-IIKFCAKUSA-N
HMDB42984,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,49H,4-6,8-9,11-15,17-18,20-23,26,29-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-/t49-/m0/s1",DKKRHQUKXAOGIQ,NYTUSQOUSA,N,"TG(15:0/14:0/20:4(8Z,11Z,14Z,17Z))",DKKRHQUKXAOGIQ-NYTUSQOUSA-N
HMDB42985,810.673740618,C52H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,33,36,49H,4-6,8-9,11-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,36-33-/t49-/m0/s1",GMOHHSPMIUVXKZ,MCPBBNGLSA,N,"TG(15:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",GMOHHSPMIUVXKZ-MCPBBNGLSA-N
HMDB42986,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-/t51-/m0/s1",VSEMYYMDBSLELZ,WKQINSMFSA,N,"TG(15:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",VSEMYYMDBSLELZ-WKQINSMFSA-N
HMDB42987,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,38,41,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-,41-38-/t51-/m0/s1",LLWJLUVCOOMBJV,VPQXLLAMSA,N,"TG(15:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LLWJLUVCOOMBJV-VPQXLLAMSA-N
HMDB42988,778.741426256,C50H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C50H98O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-46-48(55-50(52)44-41-38-35-32-28-21-18-15-12-9-6-3)47-54-49(51)43-40-37-34-31-29-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m1/s1",BLDJXKIJCIYNSF,QSCHNALKSA,N,TG(15:0/14:0/o-18:0),BLDJXKIJCIYNSF-QSCHNALKSA-N
HMDB42989,764.689390676,C48H92O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-45(54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3",CLJLWABDLPQTHL,UHFFFAOYSA,N,TG(15:0/15:0/15:0),CLJLWABDLPQTHL-UHFFFAOYSA-N
HMDB42990,778.705040747,C49H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1",NYQQFKYIZVRSQX,DXQCBLCSSA,N,TG(15:0/15:0/16:0),NYQQFKYIZVRSQX-DXQCBLCSSA-N
HMDB42991,806.736340876,C51H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m0/s1",MXGVLHSWOFOKGY,DYVQZXGMSA,N,TG(15:0/15:0/18:0),MXGVLHSWOFOKGY-DYVQZXGMSA-N
HMDB42992,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m0/s1",GHWPYISBTFIDIJ,DPDRHGIRSA,N,TG(15:0/15:0/20:0),GHWPYISBTFIDIJ-DPDRHGIRSA-N
HMDB42993,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",APMFDMKLEBUNLA,MPLRIKRWSA,N,TG(15:0/15:0/22:0),APMFDMKLEBUNLA-MPLRIKRWSA-N
HMDB42994,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-35-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",CDPHITZTFWIWRS,XSMLMOGHSA,N,TG(15:0/15:0/24:0),CDPHITZTFWIWRS-XSMLMOGHSA-N
HMDB42995,748.658090554,C47H88O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,44H,4-14,16-17,19-43H2,1-3H3/b18-15-/t44-/m1/s1",JLZYFORTRUGDQW,YVCFFHMXSA,N,TG(15:0/15:0/14:1(9Z)),JLZYFORTRUGDQW-YVCFFHMXSA-N
HMDB42996,776.689390682,C49H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-/t46-/m0/s1",ZYJIDQCQEPMGDZ,FIZKWYBOSA,N,TG(15:0/15:0/16:1(9Z)),ZYJIDQCQEPMGDZ-FIZKWYBOSA-N
HMDB42997,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h19,22,48H,4-18,20-21,23-47H2,1-3H3/b22-19-/t48-/m0/s1",IZFGUIHOICXOBN,DLOIZKPKSA,N,TG(15:0/15:0/18:1(11Z)),IZFGUIHOICXOBN-DLOIZKPKSA-N
HMDB42998,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h25-26,48H,4-24,27-47H2,1-3H3/b26-25-/t48-/m0/s1",PSEFNWWFCRCBTG,ZGHIIJKXSA,N,TG(15:0/15:0/18:1(9Z)),PSEFNWWFCRCBTG-ZGHIIJKXSA-N
HMDB42999,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h25-26,50H,4-24,27-49H2,1-3H3/b26-25-/t50-/m0/s1",CTTGQUYMPWGUTF,OIVKDUIRSA,N,TG(15:0/15:0/20:1(11Z)),CTTGQUYMPWGUTF-OIVKDUIRSA-N
HMDB43000,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h25-26,28-29,34,37,50H,4-24,27,30-33,35-36,38-49H2,1-3H3/b26-25-,29-28-,37-34-/t50-/m0/s1",CGDNREXPGDNXFQ,IPGPVZBASA,N,"TG(15:0/15:0/20:3(5Z,8Z,11Z))",CGDNREXPGDNXFQ-IPGPVZBASA-N
HMDB43001,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h25-26,52H,4-24,27-51H2,1-3H3/b26-25-/t52-/m0/s1",PEEPKRCUAJVCSP,LSPMGEJTSA,N,TG(15:0/15:0/22:1(13Z)),PEEPKRCUAJVCSP-LSPMGEJTSA-N
HMDB43002,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-35-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h25-26,54H,4-24,27-53H2,1-3H3/b26-25-/t54-/m0/s1",SSIXVUQNKRINJM,ZKWOCSCSSA,N,TG(15:0/15:0/24:1(15Z)),SSIXVUQNKRINJM-ZKWOCSCSSA-N
HMDB43003,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19,25-26,48H,4-15,17-18,20-24,27-47H2,1-3H3/b19-16-,26-25-/t48-/m0/s1",QMWRBKDPURNASG,UDWYXPPSSA,N,"TG(15:0/15:0/18:2(9Z,12Z))",QMWRBKDPURNASG-UDWYXPPSSA-N
HMDB43004,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19,25-26,30,32,48H,4-15,17-18,20-24,27-29,31,33-47H2,1-3H3/b19-16-,26-25-,32-30-/t48-/m0/s1",METHLKWLLGWOAR,BERYFDQLSA,N,"TG(15:0/15:0/18:3(6Z,9Z,12Z))",METHLKWLLGWOAR-BERYFDQLSA-N
HMDB43005,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16-,26-25-/t50-/m0/s1",OEGSGUSCNRLRFO,SOEJSTAXSA,N,TG(15:0/15:0/20:2n6),OEGSGUSCNRLRFO-SOEJSTAXSA-N
HMDB43006,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,50H,4-15,17-18,20-24,27,30-49H2,1-3H3/b19-16-,26-25-,29-28-/t50-/m0/s1",USKOQXWFTGKIJK,AHIKAAPSSA,N,TG(15:0/15:0/20:3n6),USKOQXWFTGKIJK-AHIKAAPSSA-N
HMDB43007,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,50H,4-15,17-18,20-24,27,30-33,35-36,38-49H2,1-3H3/b19-16-,26-25-,29-28-,37-34-/t50-/m0/s1",GOBILVAUGMTLQK,OWXLDOLFSA,N,"TG(15:0/15:0/20:4(5Z,8Z,11Z,14Z))",GOBILVAUGMTLQK-OWXLDOLFSA-N
HMDB43008,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,25-26,52H,4-15,17-18,20-24,27-51H2,1-3H3/b19-16-,26-25-/t52-/m0/s1",MHNBPMNNNHEGCN,STCNFZRESA,N,"TG(15:0/15:0/22:2(13Z,16Z))",MHNBPMNNNHEGCN-STCNFZRESA-N
HMDB43009,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,34,52H,4-15,17-18,20-24,27,30,32-33,35-51H2,1-3H3/b19-16-,26-25-,29-28-,34-31-/t52-/m0/s1",OHCSUIXLCHKFFY,UJKPDYKISA,N,"TG(15:0/15:0/22:4(7Z,10Z,13Z,16Z))",OHCSUIXLCHKFFY-UJKPDYKISA-N
HMDB43010,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,34,39,42,52H,4-15,17-18,20-24,27,30,32-33,35-38,40-41,43-51H2,1-3H3/b19-16-,26-25-,29-28-,34-31-,42-39-/t52-/m0/s1",ODOZWZDIECCVSB,FOMYDZIHSA,N,"TG(15:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",ODOZWZDIECCVSB-FOMYDZIHSA-N
HMDB43011,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,48H,4-6,8-9,11-15,17-18,20-24,27-47H2,1-3H3/b10-7-,19-16-,26-25-/t48-/m0/s1",IMUJVKCHSCPLJO,OBOOCMDCSA,N,"TG(15:0/15:0/18:3(9Z,12Z,15Z))",IMUJVKCHSCPLJO-OBOOCMDCSA-N
HMDB43012,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,30,32,48H,4-6,8-9,11-15,17-18,20-24,27-29,31,33-47H2,1-3H3/b10-7-,19-16-,26-25-,32-30-/t48-/m0/s1",QSFMAXBBEXQJKS,QPNZBUHMSA,N,"TG(15:0/15:0/18:4(6Z,9Z,12Z,15Z))",QSFMAXBBEXQJKS-QPNZBUHMSA-N
HMDB43013,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,50H,4-6,8-9,11-15,17-18,20-24,27,30-49H2,1-3H3/b10-7-,19-16-,26-25-,29-28-/t50-/m0/s1",XTTFJEQQCHMLOZ,VXYDLJQLSA,N,"TG(15:0/15:0/20:4(8Z,11Z,14Z,17Z))",XTTFJEQQCHMLOZ-VXYDLJQLSA-N
HMDB43014,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,50H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-49H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,37-34-/t50-/m0/s1",BAINQHMKSFVYPY,RSNPTGLASA,N,"TG(15:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",BAINQHMKSFVYPY-RSNPTGLASA-N
HMDB43015,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,34,52H,4-6,8-9,11-15,17-18,20-24,27,30,32-33,35-51H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-31-/t52-/m0/s1",CKJFKCABBRYLMR,ZDKRBGOHSA,N,"TG(15:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",CKJFKCABBRYLMR-ZDKRBGOHSA-N
HMDB43016,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,34,39,42,52H,4-6,8-9,11-15,17-18,20-24,27,30,32-33,35-38,40-41,43-51H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-31-,42-39-/t52-/m0/s1",NZGJAKPEZYDVDZ,ANFAROTISA,N,"TG(15:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NZGJAKPEZYDVDZ-ANFAROTISA-N
HMDB43017,792.75707632,C51H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m1/s1",BQYMYZHSGTVESA,ANFMRNGASA,N,TG(15:0/15:0/o-18:0),BQYMYZHSGTVESA-ANFMRNGASA-N
HMDB43018,778.70504074,C49H94O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46H,4-45H2,1-3H3",PTXNRKWTGBWBEZ,UHFFFAOYSA,N,TG(15:0/16:0/15:0),PTXNRKWTGBWBEZ-UHFFFAOYSA-N
HMDB43019,792.720690811,C50H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3/t47-/m0/s1",BLIGKERFCBUUQF,MFERNQICSA,N,TG(15:0/16:0/16:0),BLIGKERFCBUUQF-MFERNQICSA-N
HMDB43020,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m0/s1",BABSZGMYWGFHOB,GGCSAXROSA,N,TG(15:0/16:0/18:0),BABSZGMYWGFHOB-GGCSAXROSA-N
HMDB43021,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m0/s1",UBRUDNIIBBSCKQ,XHIZWQFQSA,N,TG(15:0/16:0/20:0),UBRUDNIIBBSCKQ-XHIZWQFQSA-N
HMDB43022,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1",FXUDCOMYUNAHBJ,DTSDQNDWSA,N,TG(15:0/16:0/22:0),FXUDCOMYUNAHBJ-DTSDQNDWSA-N
HMDB43023,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-33-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m0/s1",LOOMAZQCFHMXCB,GNFJTHHVSA,N,TG(15:0/16:0/24:0),LOOMAZQCFHMXCB-GNFJTHHVSA-N
HMDB43024,762.673740618,C48H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C48H90O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,45H,4-14,16-17,19-44H2,1-3H3/b18-15-/t45-/m1/s1",HYXJJKMUQIDZBG,XOQIWRPXSA,N,TG(15:0/16:0/14:1(9Z)),HYXJJKMUQIDZBG-XOQIWRPXSA-N
HMDB43025,790.705040747,C50H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-/t47-/m0/s1",RCYIETYFTUBXFK,KWLHUJJFSA,N,TG(15:0/16:0/16:1(9Z)),RCYIETYFTUBXFK-KWLHUJJFSA-N
HMDB43026,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h19,22,49H,4-18,20-21,23-48H2,1-3H3/b22-19-/t49-/m0/s1",KWXJMBTWCDOOOM,FMXLGRSFSA,N,TG(15:0/16:0/18:1(11Z)),KWXJMBTWCDOOOM-FMXLGRSFSA-N
HMDB43027,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h25-26,49H,4-24,27-48H2,1-3H3/b26-25-/t49-/m0/s1",IVRUJYRTYXTTIH,PVPKLLLRSA,N,TG(15:0/16:0/18:1(9Z)),IVRUJYRTYXTTIH-PVPKLLLRSA-N
HMDB43028,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h25-26,51H,4-24,27-50H2,1-3H3/b26-25-/t51-/m0/s1",SUYGGHGLHBZSPT,HGUUATKKSA,N,TG(15:0/16:0/20:1(11Z)),SUYGGHGLHBZSPT-HGUUATKKSA-N
HMDB43029,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h25-26,28,30,35,38,51H,4-24,27,29,31-34,36-37,39-50H2,1-3H3/b26-25-,30-28-,38-35-/t51-/m0/s1",PZPSHGGBTBOCBZ,ASYLUKSTSA,N,"TG(15:0/16:0/20:3(5Z,8Z,11Z))",PZPSHGGBTBOCBZ-ASYLUKSTSA-N
HMDB43030,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h25-26,53H,4-24,27-52H2,1-3H3/b26-25-/t53-/m0/s1",XGYODJWWTVJHTL,IAXCAJBNSA,N,TG(15:0/16:0/22:1(13Z)),XGYODJWWTVJHTL-IAXCAJBNSA-N
HMDB43031,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-33-23-20-17-14-11-8-5-2/h25-26,55H,4-24,27-54H2,1-3H3/b26-25-/t55-/m0/s1",LGLQLBQOHZYWDO,WNVKVJHASA,N,TG(15:0/16:0/24:1(15Z)),LGLQLBQOHZYWDO-WNVKVJHASA-N
HMDB43032,816.720690811,C52H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h16,19,25-26,49H,4-15,17-18,20-24,27-48H2,1-3H3/b19-16-,26-25-/t49-/m0/s1",DDWAXVHDVUVXSQ,ZDFZEWNHSA,N,"TG(15:0/16:0/18:2(9Z,12Z))",DDWAXVHDVUVXSQ-ZDFZEWNHSA-N
HMDB43033,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h16,19,25-26,30,33,49H,4-15,17-18,20-24,27-29,31-32,34-48H2,1-3H3/b19-16-,26-25-,33-30-/t49-/m0/s1",FCGGXXYTFXCYOY,RHHOBUGWSA,N,"TG(15:0/16:0/18:3(6Z,9Z,12Z))",FCGGXXYTFXCYOY-RHHOBUGWSA-N
HMDB43034,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19,25-26,51H,4-15,17-18,20-24,27-50H2,1-3H3/b19-16-,26-25-/t51-/m0/s1",VVCOWDFFHRITHU,GYPIRRIZSA,N,TG(15:0/16:0/20:2n6),VVCOWDFFHRITHU-GYPIRRIZSA-N
HMDB43035,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,51H,4-15,17-18,20-24,27,29,31-50H2,1-3H3/b19-16-,26-25-,30-28-/t51-/m0/s1",NVBSJAZGISYRIW,GGVKXYRHSA,N,TG(15:0/16:0/20:3n6),NVBSJAZGISYRIW-GGVKXYRHSA-N
HMDB43037,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19,25-26,53H,4-15,17-18,20-24,27-52H2,1-3H3/b19-16-,26-25-/t53-/m0/s1",IGUMMHRZCMWZFJ,LCIPQWFZSA,N,"TG(15:0/16:0/22:2(13Z,16Z))",IGUMMHRZCMWZFJ-LCIPQWFZSA-N
HMDB43038,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,53H,4-15,17-18,20-24,27,30-31,33,35-52H2,1-3H3/b19-16-,26-25-,29-28-,34-32-/t53-/m0/s1",AHARKWTZAVEXCY,ULVWXFASSA,N,"TG(15:0/16:0/22:4(7Z,10Z,13Z,16Z))",AHARKWTZAVEXCY-ULVWXFASSA-N
HMDB43039,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,40,43,53H,4-15,17-18,20-24,27,30-31,33,35-39,41-42,44-52H2,1-3H3/b19-16-,26-25-,29-28-,34-32-,43-40-/t53-/m0/s1",BGLMCKVEECGQOC,TZMWMECYSA,N,"TG(15:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",BGLMCKVEECGQOC-TZMWMECYSA-N
HMDB43040,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,49H,4-6,8-9,11-15,17-18,20-24,27-48H2,1-3H3/b10-7-,19-16-,26-25-/t49-/m0/s1",AYQHSNLDEWMDSL,NXCVPSNGSA,N,"TG(15:0/16:0/18:3(9Z,12Z,15Z))",AYQHSNLDEWMDSL-NXCVPSNGSA-N
HMDB43041,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,30,33,49H,4-6,8-9,11-15,17-18,20-24,27-29,31-32,34-48H2,1-3H3/b10-7-,19-16-,26-25-,33-30-/t49-/m0/s1",XPRWICFUJOGOBN,GPOOFLMASA,N,"TG(15:0/16:0/18:4(6Z,9Z,12Z,15Z))",XPRWICFUJOGOBN-GPOOFLMASA-N
HMDB43042,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,51H,4-6,8-9,11-15,17-18,20-24,27,29,31-50H2,1-3H3/b10-7-,19-16-,26-25-,30-28-/t51-/m0/s1",TXZXNSNGAQPJIB,KXNCFOMHSA,N,"TG(15:0/16:0/20:4(8Z,11Z,14Z,17Z))",TXZXNSNGAQPJIB-KXNCFOMHSA-N
HMDB43043,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,35,38,51H,4-6,8-9,11-15,17-18,20-24,27,29,31-34,36-37,39-50H2,1-3H3/b10-7-,19-16-,26-25-,30-28-,38-35-/t51-/m0/s1",AMXXNFGRYHWAIZ,OVPMLGPNSA,N,"TG(15:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",AMXXNFGRYHWAIZ-OVPMLGPNSA-N
HMDB43044,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-32-/t53-/m0/s1",QBWWHOKPBJFJMT,YXUBROBDSA,N,"TG(15:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",QBWWHOKPBJFJMT-YXUBROBDSA-N
HMDB43045,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,40,43,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-39,41-42,44-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-32-,43-40-/t53-/m0/s1",LDWHFXYROBXTCC,BKUFMLQHSA,N,"TG(15:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LDWHFXYROBXTCC-BKUFMLQHSA-N
HMDB43046,806.772726384,C52H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C52H102O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-48-50(49-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m1/s1",AYHAGPSMXXZJSI,VCZQVZGSSA,N,TG(15:0/16:0/o-18:0),AYHAGPSMXXZJSI-VCZQVZGSSA-N
HMDB43047,806.736340868,C51H98O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h48H,4-47H2,1-3H3",MAWXXPKHPDSJMR,UHFFFAOYSA,N,TG(15:0/18:0/15:0),MAWXXPKHPDSJMR-UHFFFAOYSA-N
HMDB43048,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m0/s1",DPAAFCSZSLYTLU,GGCSAXROSA,N,TG(15:0/18:0/16:0),DPAAFCSZSLYTLU-GGCSAXROSA-N
HMDB43049,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m0/s1",FGHLPDPTROCGDY,XHIZWQFQSA,N,TG(15:0/18:0/18:0),FGHLPDPTROCGDY-XHIZWQFQSA-N
HMDB43050,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1",UAUWGWKEGRQWNJ,DTSDQNDWSA,N,TG(15:0/18:0/20:0),UAUWGWKEGRQWNJ-DTSDQNDWSA-N
HMDB43051,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m0/s1",IHVMEUPYAASZLL,GNFJTHHVSA,N,TG(15:0/18:0/22:0),IHVMEUPYAASZLL-GNFJTHHVSA-N
HMDB43052,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m0/s1",AIIBNORBQQEJAW,SMWREMLRSA,N,TG(15:0/18:0/24:0),AIIBNORBQQEJAW-SMWREMLRSA-N
HMDB43053,790.705040747,C50H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,47H,4-14,16-17,19-46H2,1-3H3/b18-15-/t47-/m1/s1",CFCHREDNKRFVCW,PDJUYAFRSA,N,TG(15:0/18:0/14:1(9Z)),CFCHREDNKRFVCW-PDJUYAFRSA-N
HMDB43054,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-/t49-/m0/s1",AZCVOMGAXUJFJI,ZCXHGMKPSA,N,TG(15:0/18:0/16:1(9Z)),AZCVOMGAXUJFJI-ZCXHGMKPSA-N
HMDB43055,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,51H,4-18,20-21,23-50H2,1-3H3/b22-19-/t51-/m0/s1",NQKNOSRTHJKZLE,JKZYGDHGSA,N,TG(15:0/18:0/18:1(11Z)),NQKNOSRTHJKZLE-JKZYGDHGSA-N
HMDB43056,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,51H,4-24,26,28-50H2,1-3H3/b27-25-/t51-/m0/s1",NTCKBJDZYIUTCZ,CBOCDEIPSA,N,TG(15:0/18:0/18:1(9Z)),NTCKBJDZYIUTCZ-CBOCDEIPSA-N
HMDB43057,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27,53H,4-24,26,28-52H2,1-3H3/b27-25-/t53-/m0/s1",LHQQLSYOJMCNOW,HTYJDIEESA,N,TG(15:0/18:0/20:1(11Z)),LHQQLSYOJMCNOW-HTYJDIEESA-N
HMDB43058,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27,30-31,37,40,53H,4-24,26,28-29,32-36,38-39,41-52H2,1-3H3/b27-25-,31-30-,40-37-/t53-/m0/s1",QLOJOHRHOCAOLY,UZCMVXDJSA,N,"TG(15:0/18:0/20:3(5Z,8Z,11Z))",QLOJOHRHOCAOLY-UZCMVXDJSA-N
HMDB43059,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m0/s1",VKMWXNJARGACTL,AFHCKBSLSA,N,TG(15:0/18:0/22:1(13Z)),VKMWXNJARGACTL-AFHCKBSLSA-N
HMDB43060,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-/t57-/m0/s1",GLPATXIDWWKAPH,QWQBRNDCSA,N,TG(15:0/18:0/24:1(15Z)),GLPATXIDWWKAPH-QWQBRNDCSA-N
HMDB43062,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,32,35,51H,4-15,17-18,20-24,26,28-31,33-34,36-50H2,1-3H3/b19-16-,27-25-,35-32-/t51-/m0/s1",OGNCECWXMXWFGY,HXWQFKQRSA,N,"TG(15:0/18:0/18:3(6Z,9Z,12Z))",OGNCECWXMXWFGY-HXWQFKQRSA-N
HMDB43063,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,53H,4-15,17-18,20-24,26,28-52H2,1-3H3/b19-16-,27-25-/t53-/m0/s1",AUOCAODNZDIEJK,XUAZCYQCSA,N,TG(15:0/18:0/20:2n6),AUOCAODNZDIEJK-XUAZCYQCSA-N
HMDB43064,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,53H,4-15,17-18,20-24,26,28-29,32-52H2,1-3H3/b19-16-,27-25-,31-30-/t53-/m0/s1",ALQRRLJPYXJUQJ,AZVIUHJVSA,N,TG(15:0/18:0/20:3n6),ALQRRLJPYXJUQJ-AZVIUHJVSA-N
HMDB43065,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,37,40,53H,4-15,17-18,20-24,26,28-29,32-36,38-39,41-52H2,1-3H3/b19-16-,27-25-,31-30-,40-37-/t53-/m0/s1",YNBYDMOKHWTIOZ,JERLNIQVSA,N,"TG(15:0/18:0/20:4(5Z,8Z,11Z,14Z))",YNBYDMOKHWTIOZ-JERLNIQVSA-N
HMDB43066,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-/t55-/m0/s1",KARDYNFJVPQHHS,ZBSMQTIBSA,N,"TG(15:0/18:0/22:2(13Z,16Z))",KARDYNFJVPQHHS-ZBSMQTIBSA-N
HMDB43067,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,33,36,55H,4-15,17-18,20-24,26,28,31-32,34-35,37-54H2,1-3H3/b19-16-,27-25-,30-29-,36-33-/t55-/m0/s1",ALOIXMAWZZBRNQ,OTCXAJMESA,N,"TG(15:0/18:0/22:4(7Z,10Z,13Z,16Z))",ALOIXMAWZZBRNQ-OTCXAJMESA-N
HMDB43068,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,33,36,42,45,55H,4-15,17-18,20-24,26,28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,27-25-,30-29-,36-33-,45-42-/t55-/m0/s1",ZGFCQUZATSUQGN,PNWOOEDCSA,N,"TG(15:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZGFCQUZATSUQGN-PNWOOEDCSA-N
HMDB43070,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,32,35,51H,4-6,8-9,11-15,17-18,20-24,26,28-31,33-34,36-50H2,1-3H3/b10-7-,19-16-,27-25-,35-32-/t51-/m0/s1",IVTXWAOVGPUCRC,MVLKVFCTSA,N,"TG(15:0/18:0/18:4(6Z,9Z,12Z,15Z))",IVTXWAOVGPUCRC-MVLKVFCTSA-N
HMDB43071,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-52H2,1-3H3/b10-7-,19-16-,27-25-,31-30-/t53-/m0/s1",HJQIKAVPDGBAOK,BAXDLLNFSA,N,"TG(15:0/18:0/20:4(8Z,11Z,14Z,17Z))",HJQIKAVPDGBAOK-BAXDLLNFSA-N
HMDB43072,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,37,40,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,40-37-/t53-/m0/s1",ZXBWNEVRFREORM,SBVJPQMBSA,N,"TG(15:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZXBWNEVRFREORM-SBVJPQMBSA-N
HMDB43073,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,33,36,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-32,34-35,37-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,36-33-/t55-/m0/s1",YHMZACYPHKFNOI,MNASFJNBSA,N,"TG(15:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",YHMZACYPHKFNOI-MNASFJNBSA-N
HMDB43074,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,33,36,42,45,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,36-33-,45-42-/t55-/m0/s1",XLKRJIDQNKJANA,IHACKXFGSA,N,"TG(15:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XLKRJIDQNKJANA-IHACKXFGSA-N
HMDB43075,834.804026513,C54H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C54H106O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m1/s1",NAHIRPWUZZYZLS,OIVUAWODSA,N,TG(15:0/18:0/o-18:0),NAHIRPWUZZYZLS-OIVUAWODSA-N
HMDB43076,834.767640996,C53H102O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h50H,4-49H2,1-3H3",WCRDLNAIQLIXBG,UHFFFAOYSA,N,TG(15:0/20:0/15:0),WCRDLNAIQLIXBG-UHFFFAOYSA-N
HMDB43077,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m0/s1",NSYBQTORXHKNLC,XHIZWQFQSA,N,TG(15:0/20:0/16:0),NSYBQTORXHKNLC-XHIZWQFQSA-N
HMDB43078,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1",UCFHFOYULDRARF,DTSDQNDWSA,N,TG(15:0/20:0/18:0),UCFHFOYULDRARF-DTSDQNDWSA-N
HMDB43079,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m0/s1",DUAOGLQEBJPDLW,GNFJTHHVSA,N,TG(15:0/20:0/20:0),DUAOGLQEBJPDLW-GNFJTHHVSA-N
HMDB43080,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m0/s1",GQURFOXNTWEBQV,SMWREMLRSA,N,TG(15:0/20:0/22:0),GQURFOXNTWEBQV-SMWREMLRSA-N
HMDB43081,960.908491584,C62H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3/t59-/m0/s1",DWGUTMHDMPIZDA,MNPYLUJASA,N,TG(15:0/20:0/24:0),DWGUTMHDMPIZDA-MNPYLUJASA-N
HMDB43083,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/m0/s1",NCSPONLYMUMKKP,KMIVGPLPSA,N,TG(15:0/20:0/16:1(9Z)),NCSPONLYMUMKKP-KMIVGPLPSA-N
HMDB43084,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-/t53-/m0/s1",BPJSLTDZCWTNPH,SEXWVFGWSA,N,TG(15:0/20:0/18:1(11Z)),BPJSLTDZCWTNPH-SEXWVFGWSA-N
HMDB43085,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,53H,4-25,27-28,30-52H2,1-3H3/b29-26-/t53-/m0/s1",HBUJWLJRWYGNGY,VBNZTCNQSA,N,TG(15:0/20:0/18:1(9Z)),HBUJWLJRWYGNGY-VBNZTCNQSA-N
HMDB43086,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m0/s1",PXIUBETWKWRBPT,AFHCKBSLSA,N,TG(15:0/20:0/20:1(11Z)),PXIUBETWKWRBPT-AFHCKBSLSA-N
HMDB43087,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,31,33,39,42,55H,4-24,26,28-30,32,34-38,40-41,43-54H2,1-3H3/b27-25-,33-31-,42-39-/t55-/m0/s1",FFJZQCAVRAQRGO,DMRFSXROSA,N,"TG(15:0/20:0/20:3(5Z,8Z,11Z))",FFJZQCAVRAQRGO-DMRFSXROSA-N
HMDB43088,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-/t57-/m0/s1",VJVUYUPEAPTFGM,QWQBRNDCSA,N,TG(15:0/20:0/22:1(13Z)),VJVUYUPEAPTFGM-QWQBRNDCSA-N
HMDB43089,958.89284152,C62H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-/t59-/m0/s1",OIUIVRIHEULRDA,UZFPNTDRSA,N,TG(15:0/20:0/24:1(15Z)),OIUIVRIHEULRDA-UZFPNTDRSA-N
HMDB43090,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,53H,4-16,18-19,21-25,27-28,30-52H2,1-3H3/b20-17-,29-26-/t53-/m0/s1",YBLMLNZYRQSOBY,LHQVXTBJSA,N,"TG(15:0/20:0/18:2(9Z,12Z))",YBLMLNZYRQSOBY-LHQVXTBJSA-N
HMDB43091,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,53H,4-16,18-19,21-25,27-28,30-33,35-36,38-52H2,1-3H3/b20-17-,29-26-,37-34-/t53-/m0/s1",RCVZYVKPQLOQRM,QJLBVCPESA,N,"TG(15:0/20:0/18:3(6Z,9Z,12Z))",RCVZYVKPQLOQRM-QJLBVCPESA-N
HMDB43092,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-/t55-/m0/s1",IQBKCEKLAHDILC,ZBSMQTIBSA,N,TG(15:0/20:0/20:2n6),IQBKCEKLAHDILC-ZBSMQTIBSA-N
HMDB43093,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,55H,4-15,17-18,20-24,26,28-30,32,34-54H2,1-3H3/b19-16-,27-25-,33-31-/t55-/m0/s1",RSUWZDOHFVTWQP,JMKWLBHTSA,N,TG(15:0/20:0/20:3n6),RSUWZDOHFVTWQP-JMKWLBHTSA-N
HMDB43094,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,39,42,55H,4-15,17-18,20-24,26,28-30,32,34-38,40-41,43-54H2,1-3H3/b19-16-,27-25-,33-31-,42-39-/t55-/m0/s1",IMBBOIUUCCVERC,AIOXISEISA,N,"TG(15:0/20:0/20:4(5Z,8Z,11Z,14Z))",IMBBOIUUCCVERC-AIOXISEISA-N
HMDB43095,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-/t57-/m0/s1",XGWFVNGZBVBUQL,UVWMBFROSA,N,"TG(15:0/20:0/22:2(13Z,16Z))",XGWFVNGZBVBUQL-UVWMBFROSA-N
HMDB43096,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,35,38,57H,4-15,17-18,20-24,26,28-29,31,33-34,36-37,39-56H2,1-3H3/b19-16-,27-25-,32-30-,38-35-/t57-/m0/s1",HDDXOXZZGUTMGH,KUINUKFBSA,N,"TG(15:0/20:0/22:4(7Z,10Z,13Z,16Z))",HDDXOXZZGUTMGH-KUINUKFBSA-N
HMDB43097,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,35,38,44,47,57H,4-15,17-18,20-24,26,28-29,31,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,27-25-,32-30-,38-35-,47-44-/t57-/m0/s1",FVRCZMPNOPVLLD,QFCLHECCSA,N,"TG(15:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",FVRCZMPNOPVLLD-QFCLHECCSA-N
HMDB43098,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,53H,4-7,9-10,12-16,18-19,21-25,27-28,30-52H2,1-3H3/b11-8-,20-17-,29-26-/t53-/m0/s1",CLWLCPYFIWKLPM,MEPHXIHJSA,N,"TG(15:0/20:0/18:3(9Z,12Z,15Z))",CLWLCPYFIWKLPM-MEPHXIHJSA-N
HMDB43099,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,53H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,29-26-,37-34-/t53-/m0/s1",FJPYWYMJSHDQQS,JFPYFZDWSA,N,"TG(15:0/20:0/18:4(6Z,9Z,12Z,15Z))",FJPYWYMJSHDQQS-JFPYFZDWSA-N
HMDB43100,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,55H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,33-31-/t55-/m0/s1",HGQVGVFOEAHXRO,CNNZGPJESA,N,"TG(15:0/20:0/20:4(8Z,11Z,14Z,17Z))",HGQVGVFOEAHXRO-CNNZGPJESA-N
HMDB43101,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,39,42,55H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,42-39-/t55-/m0/s1",OPCJYNITBIDVDE,TXVZTZTISA,N,"TG(15:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",OPCJYNITBIDVDE-TXVZTZTISA-N
HMDB43102,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,35,38,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,38-35-/t57-/m0/s1",FHGRPKGSJLEOPW,DJFGFZTDSA,N,"TG(15:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",FHGRPKGSJLEOPW-DJFGFZTDSA-N
HMDB43103,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,35,38,44,47,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,38-35-,47-44-/t57-/m0/s1",XJQCPIOAYWRUGR,DYNBATAJSA,N,"TG(15:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XJQCPIOAYWRUGR-DYNBATAJSA-N
HMDB43104,862.835326642,C56H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m1/s1",LRKNXJCEXNBUGJ,AXAMJWTMSA,N,TG(15:0/20:0/o-18:0),LRKNXJCEXNBUGJ-AXAMJWTMSA-N
HMDB43105,862.798941124,C55H106O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h52H,4-51H2,1-3H3",FJNLOTWJFSSQDH,UHFFFAOYSA,N,TG(15:0/22:0/15:0),FJNLOTWJFSSQDH-UHFFFAOYSA-N
HMDB43106,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1",QUGKTVAVTHOYCA,DTSDQNDWSA,N,TG(15:0/22:0/16:0),QUGKTVAVTHOYCA-DTSDQNDWSA-N
HMDB43107,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m0/s1",PQHULCDIRPPVBV,GNFJTHHVSA,N,TG(15:0/22:0/18:0),PQHULCDIRPPVBV-GNFJTHHVSA-N
HMDB43108,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m0/s1",PSPRJFGMCNJPNB,SMWREMLRSA,N,TG(15:0/22:0/20:0),PSPRJFGMCNJPNB-SMWREMLRSA-N
HMDB43109,960.908491584,C62H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3/t59-/m0/s1",VCOVRZQALIYWPS,MNPYLUJASA,N,TG(15:0/22:0/22:0),VCOVRZQALIYWPS-MNPYLUJASA-N
HMDB43110,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C64H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3/t61-/m0/s1",KMQHHSMVFFSEPT,WMNDHARXSA,N,TG(15:0/22:0/24:0),KMQHHSMVFFSEPT-WMNDHARXSA-N
HMDB43111,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-/t51-/m1/s1",ZZCNJAJGZOISDU,WAEMFQRBSA,N,TG(15:0/22:0/14:1(9Z)),ZZCNJAJGZOISDU-WAEMFQRBSA-N
HMDB43112,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-/t53-/m0/s1",ABHJNSAKCHISJG,SEXWVFGWSA,N,TG(15:0/22:0/16:1(9Z)),ABHJNSAKCHISJG-SEXWVFGWSA-N
HMDB43113,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-/t55-/m0/s1",ZGCOASDLYRAMTM,TYXHMIERSA,N,TG(15:0/22:0/18:1(11Z)),ZGCOASDLYRAMTM-TYXHMIERSA-N
HMDB43114,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h26,31,55H,4-25,27-30,32-54H2,1-3H3/b31-26-/t55-/m0/s1",TZTJOGKEGKQTGC,GRENTLLGSA,N,TG(15:0/22:0/18:1(9Z)),TZTJOGKEGKQTGC-GRENTLLGSA-N
HMDB43115,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,57H,4-25,27,29-56H2,1-3H3/b28-26-/t57-/m0/s1",LEUYKLWLGGHQJD,SDOIROHTSA,N,TG(15:0/22:0/20:1(11Z)),LEUYKLWLGGHQJD-SDOIROHTSA-N
HMDB43116,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,33,35,41,44,57H,4-25,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b28-26-,35-33-,44-41-/t57-/m0/s1",PBWXEMWVGOANRY,NSRLJGPXSA,N,"TG(15:0/22:0/20:3(5Z,8Z,11Z))",PBWXEMWVGOANRY-NSRLJGPXSA-N
HMDB43117,958.89284152,C62H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-/t59-/m0/s1",PGCHAROQCSGHHN,UZFPNTDRSA,N,TG(15:0/22:0/22:1(13Z)),PGCHAROQCSGHHN-UZFPNTDRSA-N
HMDB43118,986.924141648,C64H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,61H,4-24,26,28-60H2,1-3H3/b27-25-/t61-/m0/s1",BPPYTAQHPUILHA,FDKLHTHVSA,N,TG(15:0/22:0/24:1(15Z)),BPPYTAQHPUILHA-FDKLHTHVSA-N
HMDB43119,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,55H,4-16,18-19,21-25,27-30,32-54H2,1-3H3/b20-17-,31-26-/t55-/m0/s1",SNCWETBQRMVHOV,KYEYXGJPSA,N,"TG(15:0/22:0/18:2(9Z,12Z))",SNCWETBQRMVHOV-KYEYXGJPSA-N
HMDB43120,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,36,39,55H,4-16,18-19,21-25,27-30,32-35,37-38,40-54H2,1-3H3/b20-17-,31-26-,39-36-/t55-/m0/s1",IDANUBRXZAZNTQ,UNDCHBHASA,N,"TG(15:0/22:0/18:3(6Z,9Z,12Z))",IDANUBRXZAZNTQ-UNDCHBHASA-N
HMDB43121,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,57H,4-16,18-19,21-25,27,29-56H2,1-3H3/b20-17-,28-26-/t57-/m0/s1",UAHXDSGAJUWANV,SEUCEGGKSA,N,TG(15:0/22:0/20:2n6),UAHXDSGAJUWANV-SEUCEGGKSA-N
HMDB43122,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,57H,4-16,18-19,21-25,27,29-32,34,36-56H2,1-3H3/b20-17-,28-26-,35-33-/t57-/m0/s1",YQUJJGDZHOTDFB,ZKGYGHRSSA,N,TG(15:0/22:0/20:3n6),YQUJJGDZHOTDFB-ZKGYGHRSSA-N
HMDB43123,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,41,44,57H,4-16,18-19,21-25,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b20-17-,28-26-,35-33-,44-41-/t57-/m0/s1",DXYNFUILRMSQEB,OUDMIXJTSA,N,"TG(15:0/22:0/20:4(5Z,8Z,11Z,14Z))",DXYNFUILRMSQEB-OUDMIXJTSA-N
HMDB43124,956.877191455,C62H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,59H,4-15,17-18,20-24,26,28-58H2,1-3H3/b19-16-,27-25-/t59-/m0/s1",ZPIMINKGGHUFQF,SMYMYWAUSA,N,"TG(15:0/22:0/22:2(13Z,16Z))",ZPIMINKGGHUFQF-SMYMYWAUSA-N
HMDB43125,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,37,40,59H,4-15,17-18,20-24,26,28-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,27-25-,33-31-,40-37-/t59-/m0/s1",NREQOBXZRZZFOK,ZZJCQLRLSA,N,"TG(15:0/22:0/22:4(7Z,10Z,13Z,16Z))",NREQOBXZRZZFOK-ZZJCQLRLSA-N
HMDB43126,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,37,40,46,49,59H,4-15,17-18,20-24,26,28-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,27-25-,33-31-,40-37-,49-46-/t59-/m0/s1",FLCLBXQTTNOSIN,XTLZJFORSA,N,"TG(15:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",FLCLBXQTTNOSIN-XTLZJFORSA-N
HMDB43127,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,55H,4-7,9-10,12-16,18-19,21-25,27-30,32-54H2,1-3H3/b11-8-,20-17-,31-26-/t55-/m0/s1",GNXLOCJIEADZDN,UJKDMMPKSA,N,"TG(15:0/22:0/18:3(9Z,12Z,15Z))",GNXLOCJIEADZDN-UJKDMMPKSA-N
HMDB43128,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,36,39,55H,4-7,9-10,12-16,18-19,21-25,27-30,32-35,37-38,40-54H2,1-3H3/b11-8-,20-17-,31-26-,39-36-/t55-/m0/s1",USVBQBCNNHETJO,DYBPWUJNSA,N,"TG(15:0/22:0/18:4(6Z,9Z,12Z,15Z))",USVBQBCNNHETJO-DYBPWUJNSA-N
HMDB43129,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,57H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-56H2,1-3H3/b11-8-,20-17-,28-26-,35-33-/t57-/m0/s1",ZFUSDKLVXULXLZ,GNTHSSALSA,N,"TG(15:0/22:0/20:4(8Z,11Z,14Z,17Z))",ZFUSDKLVXULXLZ-GNTHSSALSA-N
HMDB43130,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,41,44,57H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,44-41-/t57-/m0/s1",SAUTUFIEDLFJLU,BSSHLNJTSA,N,"TG(15:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",SAUTUFIEDLFJLU-BSSHLNJTSA-N
HMDB43131,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,37,40,59H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-37-/t59-/m0/s1",PEUGWZDZALJCDL,UBYMMWFRSA,N,"TG(15:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",PEUGWZDZALJCDL-UBYMMWFRSA-N
HMDB43132,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,37,40,46,49,59H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-37-,49-46-/t59-/m0/s1",FJSGHSNNOOPPPR,BFVVQMMHSA,N,"TG(15:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FJSGHSNNOOPPPR-BFVVQMMHSA-N
HMDB43133,890.866626771,C58H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m1/s1",JZNJWCUEBHEVPW,LXXIDKMWSA,N,TG(15:0/22:0/o-18:0),JZNJWCUEBHEVPW-LXXIDKMWSA-N
HMDB43134,890.830241252,C57H110O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3/h54H,4-53H2,1-3H3",DDYZDYXAPSLJKO,UHFFFAOYSA,N,TG(15:0/24:0/15:0),DDYZDYXAPSLJKO-UHFFFAOYSA-N
HMDB43135,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m0/s1",XBHSYSFPSBEILB,GNFJTHHVSA,N,TG(15:0/24:0/16:0),XBHSYSFPSBEILB-GNFJTHHVSA-N
HMDB43136,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m0/s1",XWJPDCOMTSSATJ,SMWREMLRSA,N,TG(15:0/24:0/18:0),XWJPDCOMTSSATJ-SMWREMLRSA-N
HMDB43137,960.908491584,C62H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3/t59-/m0/s1",XILLQHWHUHDRML,MNPYLUJASA,N,TG(15:0/24:0/20:0),XILLQHWHUHDRML-MNPYLUJASA-N
HMDB43138,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C64H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3/t61-/m0/s1",WBIDZDHOXARBFW,WMNDHARXSA,N,TG(15:0/24:0/22:0),WBIDZDHOXARBFW-WMNDHARXSA-N
HMDB43139,1016.971091842,C66H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3/t63-/m0/s1",FKSVEICDLRVKPY,VGRRCQLWSA,N,TG(15:0/24:0/24:0),FKSVEICDLRVKPY-VGRRCQLWSA-N
HMDB43140,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-/t53-/m1/s1",BXWLOPAEIPGLRQ,CYEBCEKSSA,N,TG(15:0/24:0/14:1(9Z)),BXWLOPAEIPGLRQ-CYEBCEKSSA-N
HMDB43141,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-/t55-/m0/s1",WGVJQDZNYVJEHP,TYXHMIERSA,N,TG(15:0/24:0/16:1(9Z)),WGVJQDZNYVJEHP-TYXHMIERSA-N
HMDB43142,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h20,23,57H,4-19,21-22,24-56H2,1-3H3/b23-20-/t57-/m0/s1",XRCPSKNXVXBPSI,HVNRYXOMSA,N,TG(15:0/24:0/18:1(11Z)),XRCPSKNXVXBPSI-HVNRYXOMSA-N
HMDB43143,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h26,33,57H,4-25,27-32,34-56H2,1-3H3/b33-26-/t57-/m0/s1",QLQFCWUGYPUXFE,LEBUFDSRSA,N,TG(15:0/24:0/18:1(9Z)),QLQFCWUGYPUXFE-LEBUFDSRSA-N
HMDB43144,958.89284152,C62H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,59H,4-25,27,29-58H2,1-3H3/b28-26-/t59-/m0/s1",IVKFWBBRNOFFFM,MLJAVRSCSA,N,TG(15:0/24:0/20:1(11Z)),IVKFWBBRNOFFFM-MLJAVRSCSA-N
HMDB43145,954.861541391,C62H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,35,37,43,46,59H,4-25,27,29-34,36,38-42,44-45,47-58H2,1-3H3/b28-26-,37-35-,46-43-/t59-/m0/s1",SEFPBAXGKZQMOJ,BYTGDGSWSA,N,"TG(15:0/24:0/20:3(5Z,8Z,11Z))",SEFPBAXGKZQMOJ-BYTGDGSWSA-N
HMDB43146,986.924141648,C64H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,61H,4-25,27,29-60H2,1-3H3/b28-26-/t61-/m0/s1",USKVWNCFORBTQE,JFNPNJLPSA,N,TG(15:0/24:0/22:1(13Z)),USKVWNCFORBTQE-JFNPNJLPSA-N
HMDB43147,1014.955441777,C66H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C66H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,63H,4-24,26,28-62H2,1-3H3/b27-25-/t63-/m0/s1",XQTVVUNXBHYDEG,WHXGCHPISA,N,TG(15:0/24:0/24:1(15Z)),XQTVVUNXBHYDEG-WHXGCHPISA-N
HMDB43148,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,57H,4-16,18-19,21-25,27-32,34-56H2,1-3H3/b20-17-,33-26-/t57-/m0/s1",JFSKVJNMFDFHMR,PPLQAQDSSA,N,"TG(15:0/24:0/18:2(9Z,12Z))",JFSKVJNMFDFHMR-PPLQAQDSSA-N
HMDB43149,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,38,41,57H,4-16,18-19,21-25,27-32,34-37,39-40,42-56H2,1-3H3/b20-17-,33-26-,41-38-/t57-/m0/s1",FOPOUQXJSFCKNT,FEFACAKXSA,N,"TG(15:0/24:0/18:3(6Z,9Z,12Z))",FOPOUQXJSFCKNT-FEFACAKXSA-N
HMDB43150,956.877191455,C62H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,59H,4-16,18-19,21-25,27,29-58H2,1-3H3/b20-17-,28-26-/t59-/m0/s1",UTPWZJUMCBPJBB,JMCHWVHVSA,N,TG(15:0/24:0/20:2n6),UTPWZJUMCBPJBB-JMCHWVHVSA-N
HMDB43151,954.861541391,C62H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,37,59H,4-16,18-19,21-25,27,29-34,36,38-58H2,1-3H3/b20-17-,28-26-,37-35-/t59-/m0/s1",SBXWDNWMVFPUIV,VOBXJNDESA,N,TG(15:0/24:0/20:3n6),SBXWDNWMVFPUIV-VOBXJNDESA-N
HMDB43152,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,37,43,46,59H,4-16,18-19,21-25,27,29-34,36,38-42,44-45,47-58H2,1-3H3/b20-17-,28-26-,37-35-,46-43-/t59-/m0/s1",ZXJDZGDJRTWYTF,JOUCEHFPSA,N,"TG(15:0/24:0/20:4(5Z,8Z,11Z,14Z))",ZXJDZGDJRTWYTF-JOUCEHFPSA-N
HMDB43153,984.908491584,C64H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,61H,4-16,18-19,21-25,27,29-60H2,1-3H3/b20-17-,28-26-/t61-/m0/s1",MTFMYSXGKYCHFX,KMGTXCEMSA,N,"TG(15:0/24:0/22:2(13Z,16Z))",MTFMYSXGKYCHFX-KMGTXCEMSA-N
HMDB43154,980.877191455,C64H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,39,42,61H,4-16,18-19,21-25,27,29-32,34,36-38,40-41,43-60H2,1-3H3/b20-17-,28-26-,35-33-,42-39-/t61-/m0/s1",MELAITPUDCOCAI,OPDTWGOBSA,N,"TG(15:0/24:0/22:4(7Z,10Z,13Z,16Z))",MELAITPUDCOCAI-OPDTWGOBSA-N
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HMDB43157,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,38,41,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-37,39-40,42-56H2,1-3H3/b11-8-,20-17-,33-26-,41-38-/t57-/m0/s1",IRHTVXNQOMZIJV,UAQSPOJJSA,N,"TG(15:0/24:0/18:4(6Z,9Z,12Z,15Z))",IRHTVXNQOMZIJV-UAQSPOJJSA-N
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HMDB43159,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,37,43,46,59H,4-7,9-10,12-16,18-19,21-25,27,29-34,36,38-42,44-45,47-58H2,1-3H3/b11-8-,20-17-,28-26-,37-35-,46-43-/t59-/m0/s1",ZWERSPYSEYZJKM,PUNPQBCGSA,N,"TG(15:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZWERSPYSEYZJKM-PUNPQBCGSA-N
HMDB43160,978.861541391,C64H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,39,42,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-38,40-41,43-60H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-39-/t61-/m0/s1",LNJIUMDQNCRMSH,AUGWLVJJSA,N,"TG(15:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",LNJIUMDQNCRMSH-AUGWLVJJSA-N
HMDB43161,976.845891326,C64H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,39,42,48,51,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-39-,51-48-/t61-/m0/s1",JKHVKCIWVXJIKU,CYIBLRNSSA,N,"TG(15:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JKHVKCIWVXJIKU-CYIBLRNSSA-N
HMDB43162,918.8979269,C60H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-42-45-48-51-54-60(62)65-58(57-64-59(61)53-50-47-44-41-38-24-21-18-15-12-9-6-3)56-63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m1/s1",QYAJLLRXZHLINB,QPUWJJAWSA,N,TG(15:0/24:0/o-18:0),QYAJLLRXZHLINB-QPUWJJAWSA-N
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HMDB43164,762.673740618,C48H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C48H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-30-25-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h15,18,45H,4-14,16-17,19-44H2,1-3H3/b18-15-/t45-/m0/s1",OHIDJCUYWAXOLK,GHIKFDIHSA,N,TG(15:0/14:1(9Z)/16:0),OHIDJCUYWAXOLK-GHIKFDIHSA-N
HMDB43165,790.705040747,C50H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h15,18,47H,4-14,16-17,19-46H2,1-3H3/b18-15-/t47-/m0/s1",LFJDGJMMGMSVRP,GLKDPILHSA,N,TG(15:0/14:1(9Z)/18:0),LFJDGJMMGMSVRP-GLKDPILHSA-N
HMDB43166,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h15,18,49H,4-14,16-17,19-48H2,1-3H3/b18-15-/t49-/m0/s1",CSIBNOAWXZVNFD,GFFYSNCTSA,N,TG(15:0/14:1(9Z)/20:0),CSIBNOAWXZVNFD-GFFYSNCTSA-N
HMDB43167,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-/t51-/m0/s1",RULYVNHKSZOHLQ,IALZTZDJSA,N,TG(15:0/14:1(9Z)/22:0),RULYVNHKSZOHLQ-IALZTZDJSA-N
HMDB43168,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-/t53-/m0/s1",OFFOYYPJFSBOBQ,CEMFKKKQSA,N,TG(15:0/14:1(9Z)/24:0),OFFOYYPJFSBOBQ-CEMFKKKQSA-N
HMDB43169,732.626790425,C46H84O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C46H84O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-43(52-46(49)40-37-34-31-28-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h14-15,17-18,43H,4-13,16,19-42H2,1-3H3/b17-14-,18-15-/t43-/m1/s1",OCPXLQCJPPNQTK,JPCAWIEKSA,N,TG(15:0/14:1(9Z)/14:1(9Z)),OCPXLQCJPPNQTK-JPCAWIEKSA-N
HMDB43170,760.658090554,C48H88O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C48H88O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-30-25-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h15,18-19,22,45H,4-14,16-17,20-21,23-44H2,1-3H3/b18-15-,22-19-/t45-/m0/s1",LIFBLKGYVQDWHZ,SSRSCIJFSA,N,TG(15:0/14:1(9Z)/16:1(9Z)),LIFBLKGYVQDWHZ-SSRSCIJFSA-N
HMDB43171,788.689390682,C50H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h15,18-19,22,47H,4-14,16-17,20-21,23-46H2,1-3H3/b18-15-,22-19-/t47-/m0/s1",UWRBKKUFHMZSBH,LZRCTIAQSA,N,TG(15:0/14:1(9Z)/18:1(11Z)),UWRBKKUFHMZSBH-LZRCTIAQSA-N
HMDB43172,788.689390682,C50H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h15,18,24-25,47H,4-14,16-17,19-23,26-46H2,1-3H3/b18-15-,25-24-/t47-/m0/s1",ATGHAONJZRDVMV,RHWQXSOQSA,N,TG(15:0/14:1(9Z)/18:1(9Z)),ATGHAONJZRDVMV-RHWQXSOQSA-N
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HMDB43174,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,33,36,49H,4-14,16-17,19-23,26,29-32,34-35,37-48H2,1-3H3/b18-15-,25-24-,28-27-,36-33-/t49-/m0/s1",RHUMXLNSYBFWIV,LYZDZPDVSA,N,"TG(15:0/14:1(9Z)/20:3(5Z,8Z,11Z))",RHUMXLNSYBFWIV-LYZDZPDVSA-N
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HMDB43176,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-23-20-17-14-11-8-5-2/h15,18,24-25,53H,4-14,16-17,19-23,26-52H2,1-3H3/b18-15-,25-24-/t53-/m0/s1",NXFLOBZPJVFYJC,KQZFFQOVSA,N,TG(15:0/14:1(9Z)/24:1(15Z)),NXFLOBZPJVFYJC-KQZFFQOVSA-N
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HMDB43178,784.658090554,C50H88O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,29,31,47H,4-14,17,20-23,26-28,30,32-46H2,1-3H3/b18-15-,19-16-,25-24-,31-29-/t47-/m0/s1",HNJCZQLGOMFEDE,WXFIWDNCSA,N,"TG(15:0/14:1(9Z)/18:3(6Z,9Z,12Z))",HNJCZQLGOMFEDE-WXFIWDNCSA-N
HMDB43179,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,49H,4-14,17,20-23,26-48H2,1-3H3/b18-15-,19-16-,25-24-/t49-/m0/s1",XLFUMDOMVOLJNZ,NYEZBDJTSA,N,TG(15:0/14:1(9Z)/20:2n6),XLFUMDOMVOLJNZ-NYEZBDJTSA-N
HMDB43180,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,49H,4-14,17,20-23,26,29-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-/t49-/m0/s1",OGAWYJSXVATENV,ZSXQITSUSA,N,TG(15:0/14:1(9Z)/20:3n6),OGAWYJSXVATENV-ZSXQITSUSA-N
HMDB43181,810.673740618,C52H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,33,36,49H,4-14,17,20-23,26,29-32,34-35,37-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,36-33-/t49-/m0/s1",MBEZHJNUOUSBOI,PQOGXPGPSA,N,"TG(15:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",MBEZHJNUOUSBOI-PQOGXPGPSA-N
HMDB43182,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,51H,4-14,17,20-23,26-50H2,1-3H3/b18-15-,19-16-,25-24-/t51-/m0/s1",IMVXYPBBFJIVGK,OCCKZLQQSA,N,"TG(15:0/14:1(9Z)/22:2(13Z,16Z))",IMVXYPBBFJIVGK-OCCKZLQQSA-N
HMDB43183,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,51H,4-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-/t51-/m0/s1",WQSGEOUBOGTOJI,MOXAXNAPSA,N,"TG(15:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",WQSGEOUBOGTOJI-MOXAXNAPSA-N
HMDB43184,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,38,41,51H,4-14,17,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-,41-38-/t51-/m0/s1",XCRBEBNYBMLFMB,VJULQIKGSA,N,"TG(15:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XCRBEBNYBMLFMB-VJULQIKGSA-N
HMDB43185,784.658090554,C50H88O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,47H,4-6,8-9,11-14,17,20-23,26-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-/t47-/m0/s1",NWRIOAUZEFQGES,LWFNPGACSA,N,"TG(15:0/14:1(9Z)/18:3(9Z,12Z,15Z))",NWRIOAUZEFQGES-LWFNPGACSA-N
HMDB43186,782.642440489,C50H86O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C50H86O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,29,31,47H,4-6,8-9,11-14,17,20-23,26-28,30,32-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,31-29-/t47-/m0/s1",KHXMHSLXCSZCOZ,LMABFRGASA,N,"TG(15:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",KHXMHSLXCSZCOZ-LMABFRGASA-N
HMDB43187,810.673740618,C52H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,49H,4-6,8-9,11-14,17,20-23,26,29-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-/t49-/m0/s1",RQRUSYBKFAUSEA,KUXTVNGESA,N,"TG(15:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",RQRUSYBKFAUSEA-KUXTVNGESA-N
HMDB43188,808.658090554,C52H88O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C52H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,33,36,49H,4-6,8-9,11-14,17,20-23,26,29-32,34-35,37-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,36-33-/t49-/m0/s1",UXINSRPEWUSIIS,WWGUSDKKSA,N,"TG(15:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",UXINSRPEWUSIIS-WWGUSDKKSA-N
HMDB43189,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-/t51-/m0/s1",XDIKFAOMSGPLAE,RWTAIHHCSA,N,"TG(15:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XDIKFAOMSGPLAE-RWTAIHHCSA-N
HMDB43190,834.673740618,C54H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,38,41,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-,41-38-/t51-/m0/s1",BTSQTVYOGNQLFK,WREVUQACSA,N,"TG(15:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BTSQTVYOGNQLFK-WREVUQACSA-N
HMDB43191,776.725776191,C50H96O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C50H96O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-46-48(55-50(52)44-41-38-35-32-28-21-18-15-12-9-6-3)47-54-49(51)43-40-37-34-31-29-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-/t48-/m1/s1",JRNGCNUTRCCORS,WGIOATGOSA,N,TG(15:0/14:1(9Z)/o-18:0),JRNGCNUTRCCORS-WGIOATGOSA-N
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HMDB43193,790.705040747,C50H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,47H,4-19,21-22,24-46H2,1-3H3/b23-20-/t47-/m0/s1",IFKIXRIDBLJVHR,ILNKAXEKSA,N,TG(15:0/16:1(9Z)/16:0),IFKIXRIDBLJVHR-ILNKAXEKSA-N
HMDB43194,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-/t49-/m0/s1",IPTNYCRHJMJCQE,ZCXHGMKPSA,N,TG(15:0/16:1(9Z)/18:0),IPTNYCRHJMJCQE-ZCXHGMKPSA-N
HMDB43195,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/m0/s1",VCVDKBBECJTNHK,KMIVGPLPSA,N,TG(15:0/16:1(9Z)/20:0),VCVDKBBECJTNHK-KMIVGPLPSA-N
HMDB43196,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-/t53-/m0/s1",KYFWQRLJKMBWNW,SEXWVFGWSA,N,TG(15:0/16:1(9Z)/22:0),KYFWQRLJKMBWNW-SEXWVFGWSA-N
HMDB43197,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-33-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-/t55-/m0/s1",LXXIJKRKRRYHIL,TYXHMIERSA,N,TG(15:0/16:1(9Z)/24:0),LXXIJKRKRRYHIL-TYXHMIERSA-N
HMDB43198,760.658090554,C48H88O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C48H88O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18-19,22,45H,4-14,16-17,20-21,23-44H2,1-3H3/b18-15-,22-19-/t45-/m1/s1",AWFZKAIPIVXBBG,QMAJDMBVSA,N,TG(15:0/16:1(9Z)/14:1(9Z)),AWFZKAIPIVXBBG-QMAJDMBVSA-N
HMDB43199,788.689390682,C50H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,47H,4-18,21,24-46H2,1-3H3/b22-19-,23-20-/t47-/m0/s1",QCXWVNLJUPSHQY,FIKFNSAYSA,N,TG(15:0/16:1(9Z)/16:1(9Z)),QCXWVNLJUPSHQY-FIKFNSAYSA-N
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HMDB43203,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h20,23,25-26,28,30,35,38,51H,4-19,21-22,24,27,29,31-34,36-37,39-50H2,1-3H3/b23-20-,26-25-,30-28-,38-35-/t51-/m0/s1",YMUDOMJOTYCAOP,WKVHYLRMSA,N,"TG(15:0/16:1(9Z)/20:3(5Z,8Z,11Z))",YMUDOMJOTYCAOP-WKVHYLRMSA-N
HMDB43204,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h20,23,25-26,53H,4-19,21-22,24,27-52H2,1-3H3/b23-20-,26-25-/t53-/m0/s1",HZXUKQSGYRFIRT,WOQLUVNOSA,N,TG(15:0/16:1(9Z)/22:1(13Z)),HZXUKQSGYRFIRT-WOQLUVNOSA-N
HMDB43205,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-33-23-20-17-14-11-8-5-2/h20,23,25-26,55H,4-19,21-22,24,27-54H2,1-3H3/b23-20-,26-25-/t55-/m0/s1",KZBGDZPDUHOLLM,BYOZWASUSA,N,TG(15:0/16:1(9Z)/24:1(15Z)),KZBGDZPDUHOLLM-BYOZWASUSA-N
HMDB43206,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,49H,4-15,17-18,21-22,24,27-48H2,1-3H3/b19-16-,23-20-,26-25-/t49-/m0/s1",CQSXCZMDDSQLAG,RLFYQNGLSA,N,"TG(15:0/16:1(9Z)/18:2(9Z,12Z))",CQSXCZMDDSQLAG-RLFYQNGLSA-N
HMDB43207,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,30,33,49H,4-15,17-18,21-22,24,27-29,31-32,34-48H2,1-3H3/b19-16-,23-20-,26-25-,33-30-/t49-/m0/s1",LGTDUBAUPUGEKH,NZQOXRBQSA,N,"TG(15:0/16:1(9Z)/18:3(6Z,9Z,12Z))",LGTDUBAUPUGEKH-NZQOXRBQSA-N
HMDB43208,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,51H,4-15,17-18,21-22,24,27-50H2,1-3H3/b19-16-,23-20-,26-25-/t51-/m0/s1",NAFMESDUMVNTKX,QJWNQIOASA,N,TG(15:0/16:1(9Z)/20:2n6),NAFMESDUMVNTKX-QJWNQIOASA-N
HMDB43209,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,51H,4-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-/t51-/m0/s1",ZBLICBPFGHXTDO,FDPZATRVSA,N,TG(15:0/16:1(9Z)/20:3n6),ZBLICBPFGHXTDO-FDPZATRVSA-N
HMDB43210,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,35,38,51H,4-15,17-18,21-22,24,27,29,31-34,36-37,39-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-,38-35-/t51-/m0/s1",HVWSSTSBNGXYBJ,QTZAFHSXSA,N,"TG(15:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",HVWSSTSBNGXYBJ-QTZAFHSXSA-N
HMDB43211,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,53H,4-15,17-18,21-22,24,27-52H2,1-3H3/b19-16-,23-20-,26-25-/t53-/m0/s1",WSAGKPNKUPSBIL,FQPHMWNESA,N,"TG(15:0/16:1(9Z)/22:2(13Z,16Z))",WSAGKPNKUPSBIL-FQPHMWNESA-N
HMDB43212,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,34,53H,4-15,17-18,21-22,24,27,30-31,33,35-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,34-32-/t53-/m0/s1",PZJGYRZVYVHCDI,JSXQKDERSA,N,"TG(15:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",PZJGYRZVYVHCDI-JSXQKDERSA-N
HMDB43213,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,34,40,43,53H,4-15,17-18,21-22,24,27,30-31,33,35-39,41-42,44-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,34-32-,43-40-/t53-/m0/s1",ZJMMFTSZXKOYKQ,VKIRZHAASA,N,"TG(15:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZJMMFTSZXKOYKQ-VKIRZHAASA-N
HMDB43214,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,49H,4-6,8-9,11-15,17-18,21-22,24,27-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-/t49-/m0/s1",BSNIISAHPKGDDL,DBMJIPBXSA,N,"TG(15:0/16:1(9Z)/18:3(9Z,12Z,15Z))",BSNIISAHPKGDDL-DBMJIPBXSA-N
HMDB43215,810.673740618,C52H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,30,33,49H,4-6,8-9,11-15,17-18,21-22,24,27-29,31-32,34-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,33-30-/t49-/m0/s1",SXYGTUCPTIEYHP,ZNNIOZAPSA,N,"TG(15:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",SXYGTUCPTIEYHP-ZNNIOZAPSA-N
HMDB43216,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,30,51H,4-6,8-9,11-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,30-28-/t51-/m0/s1",CKVNVMIAIFBMEP,MOJABBSNSA,N,"TG(15:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",CKVNVMIAIFBMEP-MOJABBSNSA-N
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HMDB43219,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,34,40,43,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33,35-39,41-42,44-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,34-32-,43-40-/t53-/m0/s1",CWFCMNQOBRJUEY,ZSIAZNKMSA,N,"TG(15:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CWFCMNQOBRJUEY-ZSIAZNKMSA-N
HMDB43220,804.75707632,C52H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C52H100O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-48-50(49-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-/t50-/m1/s1",UGTZDQIHZVCKDI,DKKVYINCSA,N,TG(15:0/16:1(9Z)/o-18:0),UGTZDQIHZVCKDI-DKKVYINCSA-N
HMDB43221,804.720690804,C51H96O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h19,22,48H,4-18,20-21,23-47H2,1-3H3/b22-19-",CNOPMVRMDTXASG,QOCHGBHMSA,N,TG(15:0/18:1(11Z)/15:0),CNOPMVRMDTXASG-QOCHGBHMSA-N
HMDB43222,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19,22,49H,4-18,20-21,23-48H2,1-3H3/b22-19-/t49-/m0/s1",SDYHEDXONHUDLQ,FMXLGRSFSA,N,TG(15:0/18:1(11Z)/16:0),SDYHEDXONHUDLQ-FMXLGRSFSA-N
HMDB43223,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/m0/s1",KWCLNLBHMAVVEV,KMIVGPLPSA,N,TG(15:0/18:1(11Z)/18:0),KWCLNLBHMAVVEV-KMIVGPLPSA-N
HMDB43224,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-/t53-/m0/s1",CABUGKYCXGEPJU,SEXWVFGWSA,N,TG(15:0/18:1(11Z)/20:0),CABUGKYCXGEPJU-SEXWVFGWSA-N
HMDB43225,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-/t55-/m0/s1",IHESUQOMLBJYQV,TYXHMIERSA,N,TG(15:0/18:1(11Z)/22:0),IHESUQOMLBJYQV-TYXHMIERSA-N
HMDB43226,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h20,23,57H,4-19,21-22,24-56H2,1-3H3/b23-20-/t57-/m0/s1",WQXFKDXUWHBYOY,HVNRYXOMSA,N,TG(15:0/18:1(11Z)/24:0),WQXFKDXUWHBYOY-HVNRYXOMSA-N
HMDB43227,788.689390682,C50H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18-19,22,47H,4-14,16-17,20-21,23-46H2,1-3H3/b18-15-,22-19-/t47-/m1/s1",GDSPNACKUZRYOX,XPTACLDXSA,N,TG(15:0/18:1(11Z)/14:1(9Z)),GDSPNACKUZRYOX-XPTACLDXSA-N
HMDB43228,816.720690811,C52H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19-20,22-23,49H,4-18,21,24-48H2,1-3H3/b22-19-,23-20-/t49-/m0/s1",RUFFNQWPPRDKAI,LAHAAABNSA,N,TG(15:0/18:1(11Z)/16:1(9Z)),RUFFNQWPPRDKAI-LAHAAABNSA-N
HMDB43229,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,51H,4-18,21,24-50H2,1-3H3/b22-19-,23-20-/t51-/m0/s1",LUGDNKTVMCHPQX,SKBVMJANSA,N,TG(15:0/18:1(11Z)/18:1(11Z)),LUGDNKTVMCHPQX-SKBVMJANSA-N
HMDB43230,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27,51H,4-19,21-22,24,26,28-50H2,1-3H3/b23-20-,27-25-/t51-/m0/s1",PBHASUXLFBBRLK,UJRTXBSGSA,N,TG(15:0/18:1(11Z)/18:1(9Z)),PBHASUXLFBBRLK-UJRTXBSGSA-N
HMDB43231,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,53H,4-19,21-22,24,26,28-52H2,1-3H3/b23-20-,27-25-/t53-/m0/s1",NEKSMCMHOJEPMZ,RJESXJJUSA,N,TG(15:0/18:1(11Z)/20:1(11Z)),NEKSMCMHOJEPMZ-RJESXJJUSA-N
HMDB43232,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30-31,37,40,53H,4-19,21-22,24,26,28-29,32-36,38-39,41-52H2,1-3H3/b23-20-,27-25-,31-30-,40-37-/t53-/m0/s1",GERLFMOTGFFRCJ,BPIHBGKLSA,N,"TG(15:0/18:1(11Z)/20:3(5Z,8Z,11Z))",GERLFMOTGFFRCJ-BPIHBGKLSA-N
HMDB43233,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20,23,25,27,55H,4-19,21-22,24,26,28-54H2,1-3H3/b23-20-,27-25-/t55-/m0/s1",MPEKNJRCYBNGSJ,NIVQFDLGSA,N,TG(15:0/18:1(11Z)/22:1(13Z)),MPEKNJRCYBNGSJ-NIVQFDLGSA-N
HMDB43234,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h20,23,25,27,57H,4-19,21-22,24,26,28-56H2,1-3H3/b23-20-,27-25-/t57-/m0/s1",LNFBLQQFPDQTAQ,DZBSVEODSA,N,TG(15:0/18:1(11Z)/24:1(15Z)),LNFBLQQFPDQTAQ-DZBSVEODSA-N
HMDB43235,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,51H,4-15,17-18,21-22,24,26,28-50H2,1-3H3/b19-16-,23-20-,27-25-/t51-/m0/s1",MODDNOQSVMCAIA,GRBBWMSOSA,N,"TG(15:0/18:1(11Z)/18:2(9Z,12Z))",MODDNOQSVMCAIA-GRBBWMSOSA-N
HMDB43236,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,32,35,51H,4-15,17-18,21-22,24,26,28-31,33-34,36-50H2,1-3H3/b19-16-,23-20-,27-25-,35-32-/t51-/m0/s1",PLQAHAQIGGSBNU,LQPJQHMESA,N,"TG(15:0/18:1(11Z)/18:3(6Z,9Z,12Z))",PLQAHAQIGGSBNU-LQPJQHMESA-N
HMDB43237,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,53H,4-15,17-18,21-22,24,26,28-52H2,1-3H3/b19-16-,23-20-,27-25-/t53-/m0/s1",PZMIEQNBTOQSPK,RSXUMRGKSA,N,TG(15:0/18:1(11Z)/20:2n6),PZMIEQNBTOQSPK-RSXUMRGKSA-N
HMDB43238,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30-31,53H,4-15,17-18,21-22,24,26,28-29,32-52H2,1-3H3/b19-16-,23-20-,27-25-,31-30-/t53-/m0/s1",FGIUYUUIXVQBPI,CKTWCCECSA,N,TG(15:0/18:1(11Z)/20:3n6),FGIUYUUIXVQBPI-CKTWCCECSA-N
HMDB43239,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30-31,37,40,53H,4-15,17-18,21-22,24,26,28-29,32-36,38-39,41-52H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,40-37-/t53-/m0/s1",MTVKMLAEUFRJPB,WDRBWTGGSA,N,"TG(15:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",MTVKMLAEUFRJPB-WDRBWTGGSA-N
HMDB43240,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,55H,4-15,17-18,21-22,24,26,28-54H2,1-3H3/b19-16-,23-20-,27-25-/t55-/m0/s1",PGPUQOBIJOUZAP,HNBAGWGBSA,N,"TG(15:0/18:1(11Z)/22:2(13Z,16Z))",PGPUQOBIJOUZAP-HNBAGWGBSA-N
HMDB43241,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,33,36,55H,4-15,17-18,21-22,24,26,28,31-32,34-35,37-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,36-33-/t55-/m0/s1",ZAAWPQYDRRDDFI,MTVSAXELSA,N,"TG(15:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",ZAAWPQYDRRDDFI-MTVSAXELSA-N
HMDB43242,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,33,36,42,45,55H,4-15,17-18,21-22,24,26,28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,36-33-,45-42-/t55-/m0/s1",DDRHJIQSOFXGTL,YFZWXXCASA,N,"TG(15:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DDRHJIQSOFXGTL-YFZWXXCASA-N
HMDB43243,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,51H,4-6,8-9,11-15,17-18,21-22,24,26,28-50H2,1-3H3/b10-7-,19-16-,23-20-,27-25-/t51-/m0/s1",AOFLKNYFOJRUSZ,VPWICCETSA,N,"TG(15:0/18:1(11Z)/18:3(9Z,12Z,15Z))",AOFLKNYFOJRUSZ-VPWICCETSA-N
HMDB43244,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,32,35,51H,4-6,8-9,11-15,17-18,21-22,24,26,28-31,33-34,36-50H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,35-32-/t51-/m0/s1",WDTLLGSNTATLTP,MUSSWXIUSA,N,"TG(15:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",WDTLLGSNTATLTP-MUSSWXIUSA-N
HMDB43245,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30-31,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,32-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-/t53-/m0/s1",STVMTSNHSJLAKJ,ZBFXUDJDSA,N,"TG(15:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",STVMTSNHSJLAKJ-ZBFXUDJDSA-N
HMDB43246,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30-31,37,40,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,40-37-/t53-/m0/s1",NMOBWEQFTALWPI,QLHBSMKLSA,N,"TG(15:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NMOBWEQFTALWPI-QLHBSMKLSA-N
HMDB43247,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,33,36,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-32,34-35,37-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,36-33-/t55-/m0/s1",SZNXKPALTVMYFF,PGNZRFRRSA,N,"TG(15:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SZNXKPALTVMYFF-PGNZRFRRSA-N
HMDB43248,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,33,36,42,45,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,36-33-,45-42-/t55-/m0/s1",RBBGBIMRJNLGIC,AOEVTFCNSA,N,"TG(15:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RBBGBIMRJNLGIC-AOEVTFCNSA-N
HMDB43249,832.788376449,C54H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-/t52-/m1/s1",AEVZBXJAIPXIFQ,AZEUCKTBSA,N,TG(15:0/18:1(11Z)/o-18:0),AEVZBXJAIPXIFQ-AZEUCKTBSA-N
HMDB43250,804.720690804,C51H96O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h25-26,48H,4-24,27-47H2,1-3H3/b26-25-",YUNYDLOKHYJQAT,QPLCGJKRSA,N,TG(15:0/18:1(9Z)/15:0),YUNYDLOKHYJQAT-QPLCGJKRSA-N
HMDB43252,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,51H,4-25,27,29-50H2,1-3H3/b28-26-/t51-/m0/s1",XZOUIUJOUOGCSM,OLSVMMKASA,N,TG(15:0/18:1(9Z)/18:0),XZOUIUJOUOGCSM-OLSVMMKASA-N
HMDB43253,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,53H,4-25,27-28,30-52H2,1-3H3/b29-26-/t53-/m0/s1",MHNUBDLXPQKXKL,VBNZTCNQSA,N,TG(15:0/18:1(9Z)/20:0),MHNUBDLXPQKXKL-VBNZTCNQSA-N
HMDB43254,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h26,31,55H,4-25,27-30,32-54H2,1-3H3/b31-26-/t55-/m0/s1",AKGQJSDGPYTCAM,GRENTLLGSA,N,TG(15:0/18:1(9Z)/22:0),AKGQJSDGPYTCAM-GRENTLLGSA-N
HMDB43255,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h26,33,57H,4-25,27-32,34-56H2,1-3H3/b33-26-/t57-/m0/s1",MWPDVRSFICFTEA,LEBUFDSRSA,N,TG(15:0/18:1(9Z)/24:0),MWPDVRSFICFTEA-LEBUFDSRSA-N
HMDB43256,788.689390682,C50H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,24-25,47H,4-14,16-17,19-23,26-46H2,1-3H3/b18-15-,25-24-/t47-/m1/s1",MIWYLOPCEFHARW,YPRWJYMBSA,N,TG(15:0/18:1(9Z)/14:1(9Z)),MIWYLOPCEFHARW-YPRWJYMBSA-N
HMDB43258,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,26,28,51H,4-18,20-21,23-25,27,29-50H2,1-3H3/b22-19-,28-26-/t51-/m0/s1",NEJQHDCSFNVWCH,GBFIOKSXSA,N,TG(15:0/18:1(9Z)/18:1(11Z)),NEJQHDCSFNVWCH-GBFIOKSXSA-N
HMDB43260,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-27,29,53H,4-24,28,30-52H2,1-3H3/b27-25-,29-26-/t53-/m0/s1",PXPWHPFGBJUFLZ,OAYYAUBZSA,N,TG(15:0/18:1(9Z)/20:1(11Z)),PXPWHPFGBJUFLZ-OAYYAUBZSA-N
HMDB43261,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-27,29-31,37,40,53H,4-24,28,32-36,38-39,41-52H2,1-3H3/b27-25-,29-26-,31-30-,40-37-/t53-/m0/s1",CNTOZBTTXKIHQC,AMWRNPLGSA,N,"TG(15:0/18:1(9Z)/20:3(5Z,8Z,11Z))",CNTOZBTTXKIHQC-AMWRNPLGSA-N
HMDB43262,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h25-27,31,55H,4-24,28-30,32-54H2,1-3H3/b27-25-,31-26-/t55-/m0/s1",OIKZZWRYPFNHCD,JPVYIBRBSA,N,TG(15:0/18:1(9Z)/22:1(13Z)),OIKZZWRYPFNHCD-JPVYIBRBSA-N
HMDB43263,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h25-27,33,57H,4-24,28-32,34-56H2,1-3H3/b27-25-,33-26-/t57-/m0/s1",ITAYORXBJXQRPB,BVWQVLTHSA,N,TG(15:0/18:1(9Z)/24:1(15Z)),ITAYORXBJXQRPB-BVWQVLTHSA-N
HMDB43265,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,32,35,51H,4-15,17-18,20-24,29-31,33-34,36-50H2,1-3H3/b19-16-,27-25-,28-26-,35-32-/t51-/m0/s1",IJTQTIQOHKQXGY,OKAMOMJESA,N,"TG(15:0/18:1(9Z)/18:3(6Z,9Z,12Z))",IJTQTIQOHKQXGY-OKAMOMJESA-N
HMDB43266,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29,53H,4-15,17-18,20-24,28,30-52H2,1-3H3/b19-16-,27-25-,29-26-/t53-/m0/s1",ANIZQXYZMABPHZ,SNRVFDCWSA,N,TG(15:0/18:1(9Z)/20:2n6),ANIZQXYZMABPHZ-SNRVFDCWSA-N
HMDB43267,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,53H,4-15,17-18,20-24,28,32-52H2,1-3H3/b19-16-,27-25-,29-26-,31-30-/t53-/m0/s1",AVNIVQNKHXFYSN,YOTBZMSPSA,N,TG(15:0/18:1(9Z)/20:3n6),AVNIVQNKHXFYSN-YOTBZMSPSA-N
HMDB43268,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,37,40,53H,4-15,17-18,20-24,28,32-36,38-39,41-52H2,1-3H3/b19-16-,27-25-,29-26-,31-30-,40-37-/t53-/m0/s1",HEBGSKDYZDHLCX,RFXGUNFDSA,N,"TG(15:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",HEBGSKDYZDHLCX-RFXGUNFDSA-N
HMDB43269,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,55H,4-15,17-18,20-24,28-30,32-54H2,1-3H3/b19-16-,27-25-,31-26-/t55-/m0/s1",SIDLIHCVDJIGBO,WEYDMKCFSA,N,"TG(15:0/18:1(9Z)/22:2(13Z,16Z))",SIDLIHCVDJIGBO-WEYDMKCFSA-N
HMDB43270,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,33,36,55H,4-15,17-18,20-24,28,32,34-35,37-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,36-33-/t55-/m0/s1",FUAOHJNESVJHTJ,XYUCWWKXSA,N,"TG(15:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",FUAOHJNESVJHTJ-XYUCWWKXSA-N
HMDB43271,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,33,36,42,45,55H,4-15,17-18,20-24,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,36-33-,45-42-/t55-/m0/s1",CJSAWSZMGCQYLA,FPHZQMIISA,N,"TG(15:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CJSAWSZMGCQYLA-FPHZQMIISA-N
HMDB43273,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,32,35,51H,4-6,8-9,11-15,17-18,20-24,29-31,33-34,36-50H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,35-32-/t51-/m0/s1",ZTMUXDIXBIPXGU,ZNBYWWMRSA,N,"TG(15:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",ZTMUXDIXBIPXGU-ZNBYWWMRSA-N
HMDB43274,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,53H,4-6,8-9,11-15,17-18,20-24,28,32-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,31-30-/t53-/m0/s1",MEIHWYLKHYZRIS,XWFDAEOGSA,N,"TG(15:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",MEIHWYLKHYZRIS-XWFDAEOGSA-N
HMDB43275,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,37,40,53H,4-6,8-9,11-15,17-18,20-24,28,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,31-30-,40-37-/t53-/m0/s1",OCLMKYADRKWPHX,AMPJCPHESA,N,"TG(15:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",OCLMKYADRKWPHX-AMPJCPHESA-N
HMDB43276,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,33,36,55H,4-6,8-9,11-15,17-18,20-24,28,32,34-35,37-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,36-33-/t55-/m0/s1",GQEDWGPIIPNXKK,OVQMYLKTSA,N,"TG(15:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GQEDWGPIIPNXKK-OVQMYLKTSA-N
HMDB43277,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,33,36,42,45,55H,4-6,8-9,11-15,17-18,20-24,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,36-33-,45-42-/t55-/m0/s1",NJBABWLQKGRDHS,BUCODOIISA,N,"TG(15:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NJBABWLQKGRDHS-BUCODOIISA-N
HMDB43278,832.788376449,C54H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-/t52-/m1/s1",TZCQBTHNJDZQCH,FEKLXSIDSA,N,TG(15:0/18:1(9Z)/o-18:0),TZCQBTHNJDZQCH-FEKLXSIDSA-N
HMDB43279,832.751990932,C53H100O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h25-26,50H,4-24,27-49H2,1-3H3/b26-25-",SQPMVBYMRWLEJV,QPLCGJKRSA,N,TG(15:0/20:1(11Z)/15:0),SQPMVBYMRWLEJV-QPLCGJKRSA-N
HMDB43280,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h25-26,51H,4-24,27-50H2,1-3H3/b26-25-/t51-/m0/s1",SWXNEJDKPPZNDD,HGUUATKKSA,N,TG(15:0/20:1(11Z)/16:0),SWXNEJDKPPZNDD-HGUUATKKSA-N
HMDB43281,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,27,53H,4-24,26,28-52H2,1-3H3/b27-25-/t53-/m0/s1",RPGRAAFZGFCPQG,HTYJDIEESA,N,TG(15:0/20:1(11Z)/18:0),RPGRAAFZGFCPQG-HTYJDIEESA-N
HMDB43282,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,55H,4-25,27,29-54H2,1-3H3/b28-26-/t55-/m0/s1",HZNSXUSIPAGSKY,YJLUXSAKSA,N,TG(15:0/20:1(11Z)/20:0),HZNSXUSIPAGSKY-YJLUXSAKSA-N
HMDB43283,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,57H,4-25,27,29-56H2,1-3H3/b28-26-/t57-/m0/s1",SRNXTCUWECEFMA,SDOIROHTSA,N,TG(15:0/20:1(11Z)/22:0),SRNXTCUWECEFMA-SDOIROHTSA-N
HMDB43284,958.89284152,C62H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h26,28,59H,4-25,27,29-58H2,1-3H3/b28-26-/t59-/m0/s1",HWJOWWDMHUOTJS,MLJAVRSCSA,N,TG(15:0/20:1(11Z)/24:0),HWJOWWDMHUOTJS-MLJAVRSCSA-N
HMDB43285,816.720690811,C52H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,24-25,49H,4-14,16-17,19-23,26-48H2,1-3H3/b18-15-,25-24-/t49-/m1/s1",WGKQTUUTLXOEDO,UKSAVOONSA,N,TG(15:0/20:1(11Z)/14:1(9Z)),WGKQTUUTLXOEDO-UKSAVOONSA-N
HMDB43286,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,51H,4-19,21-22,24,27-50H2,1-3H3/b23-20-,26-25-/t51-/m0/s1",JUGKSQGTGFHQGG,KYBOZFGKSA,N,TG(15:0/20:1(11Z)/16:1(9Z)),JUGKSQGTGFHQGG-KYBOZFGKSA-N
HMDB43287,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,53H,4-19,21-22,24,26,28-52H2,1-3H3/b23-20-,27-25-/t53-/m0/s1",ACZKBYISQRGMHK,RJESXJJUSA,N,TG(15:0/20:1(11Z)/18:1(11Z)),ACZKBYISQRGMHK-RJESXJJUSA-N
HMDB43288,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29,53H,4-24,28,30-52H2,1-3H3/b27-25-,29-26-/t53-/m0/s1",XBQDGMVZWBZPIG,OAYYAUBZSA,N,TG(15:0/20:1(11Z)/18:1(9Z)),XBQDGMVZWBZPIG-OAYYAUBZSA-N
HMDB43289,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,55H,4-24,29-54H2,1-3H3/b27-25-,28-26-/t55-/m0/s1",WGECLQCBWONQQW,IMDNHMHNSA,N,TG(15:0/20:1(11Z)/20:1(11Z)),WGECLQCBWONQQW-IMDNHMHNSA-N
HMDB43290,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31,33,39,42,55H,4-24,29-30,32,34-38,40-41,43-54H2,1-3H3/b27-25-,28-26-,33-31-,42-39-/t55-/m0/s1",JKFBAJJRYUESID,PZXKTUKHSA,N,"TG(15:0/20:1(11Z)/20:3(5Z,8Z,11Z))",JKFBAJJRYUESID-PZXKTUKHSA-N
HMDB43291,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,57H,4-24,29-56H2,1-3H3/b27-25-,28-26-/t57-/m0/s1",SQMJIJZRDJBURR,RQOLIHFSSA,N,TG(15:0/20:1(11Z)/22:1(13Z)),SQMJIJZRDJBURR-RQOLIHFSSA-N
HMDB43292,956.877191455,C62H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h25-28,59H,4-24,29-58H2,1-3H3/b27-25-,28-26-/t59-/m0/s1",QSUOEPGZBPLRLR,WPKSTOBMSA,N,TG(15:0/20:1(11Z)/24:1(15Z)),QSUOEPGZBPLRLR-WPKSTOBMSA-N
HMDB43293,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,53H,4-16,18-19,21-24,28,30-52H2,1-3H3/b20-17-,27-25-,29-26-/t53-/m0/s1",UYJGTGGFKJCWMM,ULHRXQEYSA,N,"TG(15:0/20:1(11Z)/18:2(9Z,12Z))",UYJGTGGFKJCWMM-ULHRXQEYSA-N
HMDB43294,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,34,37,53H,4-16,18-19,21-24,28,30-33,35-36,38-52H2,1-3H3/b20-17-,27-25-,29-26-,37-34-/t53-/m0/s1",RERDTGCZPKFVDW,RZOJBBLASA,N,"TG(15:0/20:1(11Z)/18:3(6Z,9Z,12Z))",RERDTGCZPKFVDW-RZOJBBLASA-N
HMDB43295,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,55H,4-15,17-18,20-24,29-54H2,1-3H3/b19-16-,27-25-,28-26-/t55-/m0/s1",HJFZDYGJDQBLQJ,DBVOMTASSA,N,TG(15:0/20:1(11Z)/20:2n6),HJFZDYGJDQBLQJ-DBVOMTASSA-N
HMDB43296,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,55H,4-15,17-18,20-24,29-30,32,34-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-/t55-/m0/s1",QFFKKKUOMXZADH,FSRIMQAUSA,N,TG(15:0/20:1(11Z)/20:3n6),QFFKKKUOMXZADH-FSRIMQAUSA-N
HMDB43297,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,39,42,55H,4-15,17-18,20-24,29-30,32,34-38,40-41,43-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,42-39-/t55-/m0/s1",JDZRSDCYLJXRKY,SEEUWPBGSA,N,"TG(15:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",JDZRSDCYLJXRKY-SEEUWPBGSA-N
HMDB43298,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,57H,4-15,17-18,20-24,29-56H2,1-3H3/b19-16-,27-25-,28-26-/t57-/m0/s1",OFTOFFIDAKVJAY,DMJNNAIESA,N,"TG(15:0/20:1(11Z)/22:2(13Z,16Z))",OFTOFFIDAKVJAY-DMJNNAIESA-N
HMDB43299,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,35,38,57H,4-15,17-18,20-24,29,31,33-34,36-37,39-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,38-35-/t57-/m0/s1",QNPCPEJNKZXLQV,MKWQDVBPSA,N,"TG(15:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",QNPCPEJNKZXLQV-MKWQDVBPSA-N
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HMDB43301,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,53H,4-7,9-10,12-16,18-19,21-24,28,30-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-/t53-/m0/s1",IMZKSGJPKDXVNS,AOANHIBASA,N,"TG(15:0/20:1(11Z)/18:3(9Z,12Z,15Z))",IMZKSGJPKDXVNS-AOANHIBASA-N
HMDB43302,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,34,37,53H,4-7,9-10,12-16,18-19,21-24,28,30-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,37-34-/t53-/m0/s1",OPSKNJVLMXKBEO,NOJJWCKXSA,N,"TG(15:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",OPSKNJVLMXKBEO-NOJJWCKXSA-N
HMDB43303,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,55H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-/t55-/m0/s1",OMJUCXYYYOVVTR,PJYGRHOTSA,N,"TG(15:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",OMJUCXYYYOVVTR-PJYGRHOTSA-N
HMDB43304,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,39,42,55H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,42-39-/t55-/m0/s1",YYJJTSKFEAOXSI,OIOHYYDTSA,N,"TG(15:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YYJJTSKFEAOXSI-OIOHYYDTSA-N
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HMDB43306,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,35,38,44,47,57H,4-6,8-9,11-15,17-18,20-24,29,31,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,38-35-,47-44-/t57-/m0/s1",DKFWNUITVFDQMU,VCHFYXCRSA,N,"TG(15:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DKFWNUITVFDQMU-VCHFYXCRSA-N
HMDB43307,860.819676578,C56H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-/t54-/m1/s1",POXDSHRXSFZHQG,NDVRFCLQSA,N,TG(15:0/20:1(11Z)/o-18:0),POXDSHRXSFZHQG-NDVRFCLQSA-N
HMDB43308,828.720690804,C53H96O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h25-26,28-29,35,38,50H,4-24,27,30-34,36-37,39-49H2,1-3H3/b26-25-,29-28-,38-35-",WVZAMMUFUQPUJH,DJWJCFOWSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/15:0)",WVZAMMUFUQPUJH-DJWJCFOWSA-N
HMDB43309,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h25-26,28,30,36,39,51H,4-24,27,29,31-35,37-38,40-50H2,1-3H3/b26-25-,30-28-,39-36-/t51-/m0/s1",HVMWRSISSYXDSD,MSKBUFCZSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/16:0)",HVMWRSISSYXDSD-MSKBUFCZSA-N
HMDB43310,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,27,30,32,38,41,53H,4-24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b27-25-,32-30-,41-38-/t53-/m0/s1",LLTMXGSPFQAWCN,BQDKEZLXSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/18:0)",LLTMXGSPFQAWCN-BQDKEZLXSA-N
HMDB43311,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,32,34,40,43,55H,4-25,27,29-31,33,35-39,41-42,44-54H2,1-3H3/b28-26-,34-32-,43-40-/t55-/m0/s1",IHOAMWFZSKNMBJ,YBNKKXLHSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/20:0)",IHOAMWFZSKNMBJ-YBNKKXLHSA-N
HMDB43312,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,34,36,42,45,57H,4-25,27,29-33,35,37-41,43-44,46-56H2,1-3H3/b28-26-,36-34-,45-42-/t57-/m0/s1",DVTKWROPJKABAT,GXOAAIAQSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/22:0)",DVTKWROPJKABAT-GXOAAIAQSA-N
HMDB43313,954.861541391,C62H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h26,28,36,38,44,47,59H,4-25,27,29-35,37,39-43,45-46,48-58H2,1-3H3/b28-26-,38-36-,47-44-/t59-/m0/s1",RQXKCNRUTXRAGL,UZYKJIIPSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/24:0)",RQXKCNRUTXRAGL-UZYKJIIPSA-N
HMDB43314,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,34,37,49H,4-14,16-17,19-23,26,29-33,35-36,38-48H2,1-3H3/b18-15-,25-24-,28-27-,37-34-/t49-/m1/s1",ZYEMPFOLBAHSOW,FAYSGOLVSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/14:1(9Z))",ZYEMPFOLBAHSOW-FAYSGOLVSA-N
HMDB43315,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,28,30,36,39,51H,4-19,21-22,24,27,29,31-35,37-38,40-50H2,1-3H3/b23-20-,26-25-,30-28-,39-36-/t51-/m0/s1",NPALHCHKEMYWPB,MWISNGGBSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/16:1(9Z))",NPALHCHKEMYWPB-MWISNGGBSA-N
HMDB43316,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30,32,38,41,53H,4-19,21-22,24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b23-20-,27-25-,32-30-,41-38-/t53-/m0/s1",NDBFVOZMISXHMZ,AQHDHEPXSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/18:1(11Z))",NDBFVOZMISXHMZ-AQHDHEPXSA-N
HMDB43317,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,32,38,41,53H,4-24,28,31,33-37,39-40,42-52H2,1-3H3/b27-25-,29-26-,32-30-,41-38-/t53-/m0/s1",WHIGDIDRVWRWKI,QAYVGNLSSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/18:1(9Z))",WHIGDIDRVWRWKI-QAYVGNLSSA-N
HMDB43318,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,32,34,40,43,55H,4-24,29-31,33,35-39,41-42,44-54H2,1-3H3/b27-25-,28-26-,34-32-,43-40-/t55-/m0/s1",QNFJULRDTQNJGZ,LSMKTWFLSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/20:1(11Z))",QNFJULRDTQNJGZ-LSMKTWFLSA-N
HMDB43319,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31-34,39-40,42-43,55H,4-24,29-30,35-38,41,44-54H2,1-3H3/b27-25-,28-26-,33-31-,34-32-,42-39-,43-40-/t55-/m0/s1",KNCZTEPTHPLBPF,WGKPGEJASA,N,"TG(15:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",KNCZTEPTHPLBPF-WGKPGEJASA-N
HMDB43320,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,34,36,42,45,57H,4-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b27-25-,28-26-,36-34-,45-42-/t57-/m0/s1",BCXLFBRHHDNPAA,DYZAWLEYSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/22:1(13Z))",BCXLFBRHHDNPAA-DYZAWLEYSA-N
HMDB43321,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h25-28,36,38,44,47,59H,4-24,29-35,37,39-43,45-46,48-58H2,1-3H3/b27-25-,28-26-,38-36-,47-44-/t59-/m0/s1",WDVFVQUQQJQVNI,GZHLJTAXSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/24:1(15Z))",WDVFVQUQQJQVNI-GZHLJTAXSA-N
HMDB43322,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32,38,41,53H,4-16,18-19,21-24,28,31,33-37,39-40,42-52H2,1-3H3/b20-17-,27-25-,29-26-,32-30-,41-38-/t53-/m0/s1",WOOPSWHKEFQGAW,RYDSQPTLSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",WOOPSWHKEFQGAW-RYDSQPTLSA-N
HMDB43323,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32,34,37-38,41,53H,4-16,18-19,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b20-17-,27-25-,29-26-,32-30-,37-34-,41-38-/t53-/m0/s1",CQUQJBPTYCPYIC,HTCMJKRQSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",CQUQJBPTYCPYIC-HTCMJKRQSA-N
HMDB43324,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,32,34,40,43,55H,4-15,17-18,20-24,29-31,33,35-39,41-42,44-54H2,1-3H3/b19-16-,27-25-,28-26-,34-32-,43-40-/t55-/m0/s1",MFABLJVFJMGFNH,FWXJBYCESA,N,"TG(15:0/20:3(5Z,8Z,11Z)/20:2n6)",MFABLJVFJMGFNH-FWXJBYCESA-N
HMDB43325,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-34,40,43,55H,4-15,17-18,20-24,29-30,35-39,41-42,44-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,34-32-,43-40-/t55-/m0/s1",UBLCUNUZYSIBIL,OIIAUPSDSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/20:3n6)",UBLCUNUZYSIBIL-OIIAUPSDSA-N
HMDB43326,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-34,39-40,42-43,55H,4-15,17-18,20-24,29-30,35-38,41,44-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-/t55-/m0/s1",MAYOMMYRIUSFGT,SFNAAULLSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",MAYOMMYRIUSFGT-SFNAAULLSA-N
HMDB43327,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,34,36,42,45,57H,4-15,17-18,20-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b19-16-,27-25-,28-26-,36-34-,45-42-/t57-/m0/s1",FGYSRXXCMXPKMQ,LULGVIPXSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",FGYSRXXCMXPKMQ-LULGVIPXSA-N
HMDB43328,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,34-36,38,42,45,57H,4-15,17-18,20-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-/t57-/m0/s1",KVNDQTZISPBPTN,BJEQRYTDSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",KVNDQTZISPBPTN-BJEQRYTDSA-N
HMDB43329,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,34-36,38,42,44-45,47,57H,4-15,17-18,20-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-/t57-/m0/s1",OWWFDCOCYSGLAG,MCMAWRKGSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OWWFDCOCYSGLAG-MCMAWRKGSA-N
HMDB43330,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,32,38,41,53H,4-7,9-10,12-16,18-19,21-24,28,31,33-37,39-40,42-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,32-30-,41-38-/t53-/m0/s1",SSWJCMQLXJZYKU,REZJUYFJSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",SSWJCMQLXJZYKU-REZJUYFJSA-N
HMDB43331,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,32,34,37-38,41,53H,4-7,9-10,12-16,18-19,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,32-30-,37-34-,41-38-/t53-/m0/s1",LODMFZVAGVIPLF,KCXJTFTBSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",LODMFZVAGVIPLF-KCXJTFTBSA-N
HMDB43332,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-34,40,43,55H,4-6,8-9,11-15,17-18,20-24,29-30,35-39,41-42,44-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,34-32-,43-40-/t55-/m0/s1",PTKKEINJLFZOSA,WKDNVXGXSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",PTKKEINJLFZOSA-WKDNVXGXSA-N
HMDB43333,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-34,39-40,42-43,55H,4-6,8-9,11-15,17-18,20-24,29-30,35-38,41,44-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-/t55-/m0/s1",GWIAICFGPCKWMO,IKTFWPTASA,N,"TG(15:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",GWIAICFGPCKWMO-IKTFWPTASA-N
HMDB43334,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,34-36,38,42,45,57H,4-6,8-9,11-15,17-18,20-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-/t57-/m0/s1",NYELMDBVXHIGLW,BYAVJGKXSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NYELMDBVXHIGLW-BYAVJGKXSA-N
HMDB43335,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,34-36,38,42,44-45,47,57H,4-6,8-9,11-15,17-18,20-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-/t57-/m0/s1",VKBWYABAJFQWNG,BJHGVZTISA,N,"TG(15:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VKBWYABAJFQWNG-BJHGVZTISA-N
HMDB43336,856.788376449,C56H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,32,38,41,54H,4-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b27-25-,32-30-,41-38-/t54-/m1/s1",ULGHCURQHRQXAN,OUXQXPICSA,N,"TG(15:0/20:3(5Z,8Z,11Z)/o-18:0)",ULGHCURQHRQXAN-OUXQXPICSA-N
HMDB43337,860.78329106,C55H104O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h25-26,52H,4-24,27-51H2,1-3H3/b26-25-",MVBQFGCTCWSIBF,QPLCGJKRSA,N,TG(15:0/22:1(13Z)/15:0),MVBQFGCTCWSIBF-QPLCGJKRSA-N
HMDB43338,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h25-26,53H,4-24,27-52H2,1-3H3/b26-25-/t53-/m0/s1",VXXGOERGWIHTFR,IAXCAJBNSA,N,TG(15:0/22:1(13Z)/16:0),VXXGOERGWIHTFR-IAXCAJBNSA-N
HMDB43339,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m0/s1",PKSPQURTZBPRPW,AFHCKBSLSA,N,TG(15:0/22:1(13Z)/18:0),PKSPQURTZBPRPW-AFHCKBSLSA-N
HMDB43340,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-/t57-/m0/s1",BEOVKOBKTFVOGC,QWQBRNDCSA,N,TG(15:0/22:1(13Z)/20:0),BEOVKOBKTFVOGC-QWQBRNDCSA-N
HMDB43341,958.89284152,C62H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,59H,4-25,27,29-58H2,1-3H3/b28-26-/t59-/m0/s1",HZMVCLKGAZYOEX,MLJAVRSCSA,N,TG(15:0/22:1(13Z)/22:0),HZMVCLKGAZYOEX-MLJAVRSCSA-N
HMDB43342,986.924141648,C64H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,61H,4-25,27,29-60H2,1-3H3/b28-26-/t61-/m0/s1",WTELFXZYALNEIX,JFNPNJLPSA,N,TG(15:0/22:1(13Z)/24:0),WTELFXZYALNEIX-JFNPNJLPSA-N
HMDB43343,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15,18,24-25,51H,4-14,16-17,19-23,26-50H2,1-3H3/b18-15-,25-24-/t51-/m1/s1",FVIADLOBJGKVBK,DVWDOVAKSA,N,TG(15:0/22:1(13Z)/14:1(9Z)),FVIADLOBJGKVBK-DVWDOVAKSA-N
HMDB43344,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20,23,25-26,53H,4-19,21-22,24,27-52H2,1-3H3/b23-20-,26-25-/t53-/m0/s1",ZHRJNNNFMXVKDM,WOQLUVNOSA,N,TG(15:0/22:1(13Z)/16:1(9Z)),ZHRJNNNFMXVKDM-WOQLUVNOSA-N
HMDB43345,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h20,23,25,27,55H,4-19,21-22,24,26,28-54H2,1-3H3/b23-20-,27-25-/t55-/m0/s1",JWCBWTCIOPJBTC,NIVQFDLGSA,N,TG(15:0/22:1(13Z)/18:1(11Z)),JWCBWTCIOPJBTC-NIVQFDLGSA-N
HMDB43346,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h25-27,31,55H,4-24,28-30,32-54H2,1-3H3/b27-25-,31-26-/t55-/m0/s1",AZDRPNZSLUOCOF,JPVYIBRBSA,N,TG(15:0/22:1(13Z)/18:1(9Z)),AZDRPNZSLUOCOF-JPVYIBRBSA-N
HMDB43347,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,57H,4-24,29-56H2,1-3H3/b27-25-,28-26-/t57-/m0/s1",JRDJTRWIPLQBPW,RQOLIHFSSA,N,TG(15:0/22:1(13Z)/20:1(11Z)),JRDJTRWIPLQBPW-RQOLIHFSSA-N
HMDB43348,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,33,35,41,44,57H,4-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b27-25-,28-26-,35-33-,44-41-/t57-/m0/s1",GILPZPWHCXQNGO,NHVOJWTESA,N,"TG(15:0/22:1(13Z)/20:3(5Z,8Z,11Z))",GILPZPWHCXQNGO-NHVOJWTESA-N
HMDB43349,956.877191455,C62H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,59H,4-24,29-58H2,1-3H3/b27-25-,28-26-/t59-/m0/s1",ODQKLCTVLOPJFO,WPKSTOBMSA,N,TG(15:0/22:1(13Z)/22:1(13Z)),ODQKLCTVLOPJFO-WPKSTOBMSA-N
HMDB43350,984.908491584,C64H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,61H,4-24,29-60H2,1-3H3/b27-25-,28-26-/t61-/m0/s1",KCEKYYMOTIUAOR,IRVPXVQWSA,N,TG(15:0/22:1(13Z)/24:1(15Z)),KCEKYYMOTIUAOR-IRVPXVQWSA-N
HMDB43351,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,55H,4-16,18-19,21-24,28-30,32-54H2,1-3H3/b20-17-,27-25-,31-26-/t55-/m0/s1",BVUKOOZQIGAWRK,HRIHOIJHSA,N,"TG(15:0/22:1(13Z)/18:2(9Z,12Z))",BVUKOOZQIGAWRK-HRIHOIJHSA-N
HMDB43352,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,36,39,55H,4-16,18-19,21-24,28-30,32-35,37-38,40-54H2,1-3H3/b20-17-,27-25-,31-26-,39-36-/t55-/m0/s1",ZSTISJVJCWGTAZ,ONBIOLBISA,N,"TG(15:0/22:1(13Z)/18:3(6Z,9Z,12Z))",ZSTISJVJCWGTAZ-ONBIOLBISA-N
HMDB43353,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,57H,4-16,18-19,21-24,29-56H2,1-3H3/b20-17-,27-25-,28-26-/t57-/m0/s1",QMZPCPGLPBIXLA,JTTJBIHXSA,N,TG(15:0/22:1(13Z)/20:2n6),QMZPCPGLPBIXLA-JTTJBIHXSA-N
HMDB43354,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,57H,4-16,18-19,21-24,29-32,34,36-56H2,1-3H3/b20-17-,27-25-,28-26-,35-33-/t57-/m0/s1",JPQBIVGPVQLOCO,FQBSVBCASA,N,TG(15:0/22:1(13Z)/20:3n6),JPQBIVGPVQLOCO-FQBSVBCASA-N
HMDB43355,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,41,44,57H,4-16,18-19,21-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,44-41-/t57-/m0/s1",DYJVUTOOJKJYBQ,OIIBDCRESA,N,"TG(15:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",DYJVUTOOJKJYBQ-OIIBDCRESA-N
HMDB43356,954.861541391,C62H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,59H,4-15,17-18,20-24,29-58H2,1-3H3/b19-16-,27-25-,28-26-/t59-/m0/s1",YZDSOGIXGARPSB,FUXYIRNKSA,N,"TG(15:0/22:1(13Z)/22:2(13Z,16Z))",YZDSOGIXGARPSB-FUXYIRNKSA-N
HMDB43357,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,37,40,59H,4-15,17-18,20-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-37-/t59-/m0/s1",FHAYVQVCSLBFDG,JRMMAJIJSA,N,"TG(15:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",FHAYVQVCSLBFDG-JRMMAJIJSA-N
HMDB43358,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,37,40,46,49,59H,4-15,17-18,20-24,29-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-37-,49-46-/t59-/m0/s1",JKJQFKWITBLFJJ,JTYIAZRHSA,N,"TG(15:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JKJQFKWITBLFJJ-JTYIAZRHSA-N
HMDB43359,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,55H,4-7,9-10,12-16,18-19,21-24,28-30,32-54H2,1-3H3/b11-8-,20-17-,27-25-,31-26-/t55-/m0/s1",UPJQJJOQKCRAID,QIVDIYIPSA,N,"TG(15:0/22:1(13Z)/18:3(9Z,12Z,15Z))",UPJQJJOQKCRAID-QIVDIYIPSA-N
HMDB43360,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,36,39,55H,4-7,9-10,12-16,18-19,21-24,28-30,32-35,37-38,40-54H2,1-3H3/b11-8-,20-17-,27-25-,31-26-,39-36-/t55-/m0/s1",WAHIGDRMWJQFEP,MLQQRLBQSA,N,"TG(15:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",WAHIGDRMWJQFEP-MLQQRLBQSA-N
HMDB43361,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,57H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-/t57-/m0/s1",AIJCDBIYEAHLPV,BPJXGEJUSA,N,"TG(15:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",AIJCDBIYEAHLPV-BPJXGEJUSA-N
HMDB43362,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,41,44,57H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,44-41-/t57-/m0/s1",WNBZRTSOCSMBKW,LSLOAIHJSA,N,"TG(15:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WNBZRTSOCSMBKW-LSLOAIHJSA-N
HMDB43363,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,37,40,59H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-37-/t59-/m0/s1",OCPRFLQKRCROPQ,JLBXUAPBSA,N,"TG(15:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OCPRFLQKRCROPQ-JLBXUAPBSA-N
HMDB43364,946.798941133,C62H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,37,40,46,49,59H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-37-,49-46-/t59-/m0/s1",JFNPZFKXQMAFRN,LLIKXONMSA,N,"TG(15:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JFNPZFKXQMAFRN-LLIKXONMSA-N
HMDB43365,888.850976706,C58H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m1/s1",ADIIYAHQPYJDGZ,VXVUXWGWSA,N,TG(15:0/22:1(13Z)/o-18:0),ADIIYAHQPYJDGZ-VXVUXWGWSA-N
HMDB43366,888.814591188,C57H108O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3/h25-26,54H,4-24,27-53H2,1-3H3/b26-25-",VSGBEUWASJCUJL,QPLCGJKRSA,N,TG(15:0/24:1(15Z)/15:0),VSGBEUWASJCUJL-QPLCGJKRSA-N
HMDB43367,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h25-26,55H,4-24,27-54H2,1-3H3/b26-25-/t55-/m0/s1",YYXNZDHKDDBRRT,WNVKVJHASA,N,TG(15:0/24:1(15Z)/16:0),YYXNZDHKDDBRRT-WNVKVJHASA-N
HMDB43368,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-/t57-/m0/s1",LMYBJSFPWDAZRP,QWQBRNDCSA,N,TG(15:0/24:1(15Z)/18:0),LMYBJSFPWDAZRP-QWQBRNDCSA-N
HMDB43369,958.89284152,C62H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-/t59-/m0/s1",FMOOZZLVBIMDSK,UZFPNTDRSA,N,TG(15:0/24:1(15Z)/20:0),FMOOZZLVBIMDSK-UZFPNTDRSA-N
HMDB43370,986.924141648,C64H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,61H,4-24,26,28-60H2,1-3H3/b27-25-/t61-/m0/s1",AJUTWRRROKQTRT,FDKLHTHVSA,N,TG(15:0/24:1(15Z)/22:0),AJUTWRRROKQTRT-FDKLHTHVSA-N
HMDB43371,1014.955441777,C66H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C66H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,63H,4-25,27,29-62H2,1-3H3/b28-26-/t63-/m0/s1",ANWHZDOJZYSIHV,WJILHMGFSA,N,TG(15:0/24:1(15Z)/24:0),ANWHZDOJZYSIHV-WJILHMGFSA-N
HMDB43372,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h15,18,24-25,53H,4-14,16-17,19-23,26-52H2,1-3H3/b18-15-,25-24-/t53-/m1/s1",XUAVICJJEAPAHO,ZWMUNOOTSA,N,TG(15:0/24:1(15Z)/14:1(9Z)),XUAVICJJEAPAHO-ZWMUNOOTSA-N
HMDB43373,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20,23,25-26,55H,4-19,21-22,24,27-54H2,1-3H3/b23-20-,26-25-/t55-/m0/s1",VECBQPDNQCMGKZ,BYOZWASUSA,N,TG(15:0/24:1(15Z)/16:1(9Z)),VECBQPDNQCMGKZ-BYOZWASUSA-N
HMDB43374,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h20,23,25,27,57H,4-19,21-22,24,26,28-56H2,1-3H3/b23-20-,27-25-/t57-/m0/s1",PTIAJQFHKHUVPW,DZBSVEODSA,N,TG(15:0/24:1(15Z)/18:1(11Z)),PTIAJQFHKHUVPW-DZBSVEODSA-N
HMDB43375,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h25-27,33,57H,4-24,28-32,34-56H2,1-3H3/b27-25-,33-26-/t57-/m0/s1",HUPZHZLPCVHVKU,BVWQVLTHSA,N,TG(15:0/24:1(15Z)/18:1(9Z)),HUPZHZLPCVHVKU-BVWQVLTHSA-N
HMDB43376,956.877191455,C62H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,59H,4-24,29-58H2,1-3H3/b27-25-,28-26-/t59-/m0/s1",SFLJCBCGZVNPPO,WPKSTOBMSA,N,TG(15:0/24:1(15Z)/20:1(11Z)),SFLJCBCGZVNPPO-WPKSTOBMSA-N
HMDB43377,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,35,37,43,46,59H,4-24,29-34,36,38-42,44-45,47-58H2,1-3H3/b27-25-,28-26-,37-35-,46-43-/t59-/m0/s1",KOZJTBSNDCVNEY,RECCIDTQSA,N,"TG(15:0/24:1(15Z)/20:3(5Z,8Z,11Z))",KOZJTBSNDCVNEY-RECCIDTQSA-N
HMDB43378,984.908491584,C64H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,61H,4-24,29-60H2,1-3H3/b27-25-,28-26-/t61-/m0/s1",XEMYZECDKVPSLH,IRVPXVQWSA,N,TG(15:0/24:1(15Z)/22:1(13Z)),XEMYZECDKVPSLH-IRVPXVQWSA-N
HMDB43379,1012.939791713,C66H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,63H,4-24,29-62H2,1-3H3/b27-25-,28-26-/t63-/m0/s1",CFUGCQIDVQNFAJ,LVPCYIMBSA,N,TG(15:0/24:1(15Z)/24:1(15Z)),CFUGCQIDVQNFAJ-LVPCYIMBSA-N
HMDB43380,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,57H,4-16,18-19,21-24,28-32,34-56H2,1-3H3/b20-17-,27-25-,33-26-/t57-/m0/s1",AFBPXDLUPKBQFZ,IBUFINAASA,N,"TG(15:0/24:1(15Z)/18:2(9Z,12Z))",AFBPXDLUPKBQFZ-IBUFINAASA-N
HMDB43381,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,38,41,57H,4-16,18-19,21-24,28-32,34-37,39-40,42-56H2,1-3H3/b20-17-,27-25-,33-26-,41-38-/t57-/m0/s1",UCHBEMFCQZHFSL,XKROISJUSA,N,"TG(15:0/24:1(15Z)/18:3(6Z,9Z,12Z))",UCHBEMFCQZHFSL-XKROISJUSA-N
HMDB43382,954.861541391,C62H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,59H,4-16,18-19,21-24,29-58H2,1-3H3/b20-17-,27-25-,28-26-/t59-/m0/s1",GBRKOHYRLBJDNR,HXOGXHPOSA,N,TG(15:0/24:1(15Z)/20:2n6),GBRKOHYRLBJDNR-HXOGXHPOSA-N
HMDB43383,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,37,59H,4-16,18-19,21-24,29-34,36,38-58H2,1-3H3/b20-17-,27-25-,28-26-,37-35-/t59-/m0/s1",VPWLPOGEXWGFHO,SBNQYFOSSA,N,TG(15:0/24:1(15Z)/20:3n6),VPWLPOGEXWGFHO-SBNQYFOSSA-N
HMDB43384,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,37,43,46,59H,4-16,18-19,21-24,29-34,36,38-42,44-45,47-58H2,1-3H3/b20-17-,27-25-,28-26-,37-35-,46-43-/t59-/m0/s1",LCMTVUYHCLFMHK,NKKYBAJHSA,N,"TG(15:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",LCMTVUYHCLFMHK-NKKYBAJHSA-N
HMDB43385,982.89284152,C64H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,61H,4-16,18-19,21-24,29-60H2,1-3H3/b20-17-,27-25-,28-26-/t61-/m0/s1",QEJNPKOLHKYJDP,HWWOLRBVSA,N,"TG(15:0/24:1(15Z)/22:2(13Z,16Z))",QEJNPKOLHKYJDP-HWWOLRBVSA-N
HMDB43386,978.861541391,C64H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,39,42,61H,4-16,18-19,21-24,29-32,34,36-38,40-41,43-60H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-39-/t61-/m0/s1",IWBPDBACURHRAL,WHXRSSKSSA,N,"TG(15:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",IWBPDBACURHRAL-WHXRSSKSSA-N
HMDB43387,976.845891326,C64H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,39,42,48,51,61H,4-16,18-19,21-24,29-32,34,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-39-,51-48-/t61-/m0/s1",BMMOJBKBLCUZIT,MUWVUYTMSA,N,"TG(15:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BMMOJBKBLCUZIT-MUWVUYTMSA-N
HMDB43388,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-/t57-/m0/s1",FMVSECQYWDCHHF,JGDRQJGZSA,N,"TG(15:0/24:1(15Z)/18:3(9Z,12Z,15Z))",FMVSECQYWDCHHF-JGDRQJGZSA-N
HMDB43389,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,38,41,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-37,39-40,42-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,41-38-/t57-/m0/s1",USRFPCWUUMBOJX,JYHFBZJRSA,N,"TG(15:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",USRFPCWUUMBOJX-JYHFBZJRSA-N
HMDB43390,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,37,59H,4-7,9-10,12-16,18-19,21-24,29-34,36,38-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-35-/t59-/m0/s1",RPMRPXUKSYGOOU,KCZMIGCMSA,N,"TG(15:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",RPMRPXUKSYGOOU-KCZMIGCMSA-N
HMDB43391,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,37,43,46,59H,4-7,9-10,12-16,18-19,21-24,29-34,36,38-42,44-45,47-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-35-,46-43-/t59-/m0/s1",YUDGPQVPCGTBMB,LAWHFBIWSA,N,"TG(15:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YUDGPQVPCGTBMB-LAWHFBIWSA-N
HMDB43392,976.845891326,C64H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,39,42,61H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-38,40-41,43-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-39-/t61-/m0/s1",JNNNNWLVMLRRJB,FBSQTHSUSA,N,"TG(15:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JNNNNWLVMLRRJB-FBSQTHSUSA-N
HMDB43393,974.830241262,C64H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,39,42,48,51,61H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-39-,51-48-/t61-/m0/s1",FXYNYQMEJKIRAP,AIQSFHCDSA,N,"TG(15:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FXYNYQMEJKIRAP-AIQSFHCDSA-N
HMDB43394,916.882276835,C60H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C60H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-42-45-48-51-54-60(62)65-58(57-64-59(61)53-50-47-44-41-38-24-21-18-15-12-9-6-3)56-63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m1/s1",AKTVBUAXQCMPEX,WUVGZWILSA,N,TG(15:0/24:1(15Z)/o-18:0),AKTVBUAXQCMPEX-WUVGZWILSA-N
HMDB43395,802.705040747,C51H94O6,[H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h16,19,25-26,48H,4-15,17-18,20-24,27-47H2,1-3H3/b19-16-,26-25-",PBQDFAXBQFTQKF,DHSNEXAOSA,N,"TG(15:0/18:2(9Z,12Z)/15:0)",PBQDFAXBQFTQKF-DHSNEXAOSA-N
HMDB43397,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,51H,4-16,18-19,21-25,27,29-50H2,1-3H3/b20-17-,28-26-/t51-/m0/s1",QOJZZVLQMZASDT,UKIFWKIPSA,N,"TG(15:0/18:2(9Z,12Z)/18:0)",QOJZZVLQMZASDT-UKIFWKIPSA-N
HMDB43398,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,53H,4-16,18-19,21-25,27-28,30-52H2,1-3H3/b20-17-,29-26-/t53-/m0/s1",BXNIMONORLARCL,LHQVXTBJSA,N,"TG(15:0/18:2(9Z,12Z)/20:0)",BXNIMONORLARCL-LHQVXTBJSA-N
HMDB43399,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,55H,4-16,18-19,21-25,27-30,32-54H2,1-3H3/b20-17-,31-26-/t55-/m0/s1",AMDVCDGQSHKXKJ,KYEYXGJPSA,N,"TG(15:0/18:2(9Z,12Z)/22:0)",AMDVCDGQSHKXKJ-KYEYXGJPSA-N
HMDB43400,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,57H,4-16,18-19,21-25,27-32,34-56H2,1-3H3/b20-17-,33-26-/t57-/m0/s1",ZEBWOWFWNJDSCC,PPLQAQDSSA,N,"TG(15:0/18:2(9Z,12Z)/24:0)",ZEBWOWFWNJDSCC-PPLQAQDSSA-N
HMDB43401,786.673740618,C50H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,47H,4-14,17,20-23,26-46H2,1-3H3/b18-15-,19-16-,25-24-/t47-/m1/s1",HGJJFYUEJOSQAZ,WBMVEEGQSA,N,"TG(15:0/18:2(9Z,12Z)/14:1(9Z))",HGJJFYUEJOSQAZ-WBMVEEGQSA-N
HMDB43402,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,49H,4-15,17-18,21-22,24,27-48H2,1-3H3/b19-16-,23-20-,26-25-/t49-/m0/s1",SFKSEKDPBBILHI,RLFYQNGLSA,N,"TG(15:0/18:2(9Z,12Z)/16:1(9Z))",SFKSEKDPBBILHI-RLFYQNGLSA-N
HMDB43403,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26,28,51H,4-16,18,21,23-25,27,29-50H2,1-3H3/b20-17-,22-19-,28-26-/t51-/m0/s1",FOTJQCORLIFPLC,GWRXFGGSSA,N,"TG(15:0/18:2(9Z,12Z)/18:1(11Z))",FOTJQCORLIFPLC-GWRXFGGSSA-N
HMDB43404,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,51H,4-16,18-19,21-24,29-50H2,1-3H3/b20-17-,27-25-,28-26-/t51-/m0/s1",QZSQJRGOJCTPHI,SEKHEXFTSA,N,"TG(15:0/18:2(9Z,12Z)/18:1(9Z))",QZSQJRGOJCTPHI-SEKHEXFTSA-N
HMDB43405,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,53H,4-16,18-19,21-24,28,30-52H2,1-3H3/b20-17-,27-25-,29-26-/t53-/m0/s1",RHODOWWOHRDFEP,ULHRXQEYSA,N,"TG(15:0/18:2(9Z,12Z)/20:1(11Z))",RHODOWWOHRDFEP-ULHRXQEYSA-N
HMDB43406,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-31,37,40,53H,4-16,18-19,21-24,28,32-36,38-39,41-52H2,1-3H3/b20-17-,27-25-,29-26-,31-30-,40-37-/t53-/m0/s1",MNOQBHNDUSFENV,CFQUYVBXSA,N,"TG(15:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",MNOQBHNDUSFENV-CFQUYVBXSA-N
HMDB43407,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,55H,4-16,18-19,21-24,28-30,32-54H2,1-3H3/b20-17-,27-25-,31-26-/t55-/m0/s1",WUDWGAJJZFZCER,HRIHOIJHSA,N,"TG(15:0/18:2(9Z,12Z)/22:1(13Z))",WUDWGAJJZFZCER-HRIHOIJHSA-N
HMDB43408,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,57H,4-16,18-19,21-24,28-32,34-56H2,1-3H3/b20-17-,27-25-,33-26-/t57-/m0/s1",NVFWCMLYJFBSCK,IBUFINAASA,N,"TG(15:0/18:2(9Z,12Z)/24:1(15Z))",NVFWCMLYJFBSCK-IBUFINAASA-N
HMDB43410,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,35,51H,4-15,18,21-24,29-31,33-34,36-50H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-32-/t51-/m0/s1",KPOZERFMPPBKLU,YKBMHYAESA,N,"TG(15:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",KPOZERFMPPBKLU-YKBMHYAESA-N
HMDB43411,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,53H,4-15,18,21-24,28,30-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-/t53-/m0/s1",BLQBYZAEDJFOQJ,IJJKIVKYSA,N,"TG(15:0/18:2(9Z,12Z)/20:2n6)",BLQBYZAEDJFOQJ-IJJKIVKYSA-N
HMDB43412,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,53H,4-15,18,21-24,28,32-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,31-30-/t53-/m0/s1",CKBVNPDRXAQXPC,YQRZAKOQSA,N,"TG(15:0/18:2(9Z,12Z)/20:3n6)",CKBVNPDRXAQXPC-YQRZAKOQSA-N
HMDB43413,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,37,40,53H,4-15,18,21-24,28,32-36,38-39,41-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,31-30-,40-37-/t53-/m0/s1",XVHLGBHSAWAQOP,LMRDAZGFSA,N,"TG(15:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",XVHLGBHSAWAQOP-LMRDAZGFSA-N
HMDB43414,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,55H,4-15,18,21-24,28-30,32-54H2,1-3H3/b19-16-,20-17-,27-25-,31-26-/t55-/m0/s1",MAWNXWUEDRYQEG,WFWVJCKJSA,N,"TG(15:0/18:2(9Z,12Z)/22:2(13Z,16Z))",MAWNXWUEDRYQEG-WFWVJCKJSA-N
HMDB43415,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,33,36,55H,4-15,18,21-24,28,32,34-35,37-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,36-33-/t55-/m0/s1",RLUPWQZSNHDVDN,AMXALFAESA,N,"TG(15:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",RLUPWQZSNHDVDN-AMXALFAESA-N
HMDB43416,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,33,36,42,45,55H,4-15,18,21-24,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,45-42-/t55-/m0/s1",FYYPLIFICZUDQU,JZJNVTINSA,N,"TG(15:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FYYPLIFICZUDQU-JZJNVTINSA-N
HMDB43417,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,51H,4-6,8-9,11-15,18,21-24,29-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-/t51-/m0/s1",VEGWTLAYXMHOLL,HHBBQONFSA,N,"TG(15:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",VEGWTLAYXMHOLL-HHBBQONFSA-N
HMDB43418,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,32,35,51H,4-6,8-9,11-15,18,21-24,29-31,33-34,36-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,35-32-/t51-/m0/s1",LHGGQZKDSVSSLW,XQWCCLHYSA,N,"TG(15:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",LHGGQZKDSVSSLW-XQWCCLHYSA-N
HMDB43419,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,53H,4-6,8-9,11-15,18,21-24,28,32-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,31-30-/t53-/m0/s1",YQNAVNJUXQPZKE,XKKYBWQSSA,N,"TG(15:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",YQNAVNJUXQPZKE-XKKYBWQSSA-N
HMDB43420,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,37,40,53H,4-6,8-9,11-15,18,21-24,28,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,31-30-,40-37-/t53-/m0/s1",SIHHHEPUBOVUOE,LAXFSHIXSA,N,"TG(15:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SIHHHEPUBOVUOE-LAXFSHIXSA-N
HMDB43421,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,33,36,55H,4-6,8-9,11-15,18,21-24,28,32,34-35,37-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-/t55-/m0/s1",DBLWBMOGRRODGG,GQYLRULLSA,N,"TG(15:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DBLWBMOGRRODGG-GQYLRULLSA-N
HMDB43422,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,33,36,42,45,55H,4-6,8-9,11-15,18,21-24,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,45-42-/t55-/m0/s1",CCWZMJPDSMVFGX,XYEMWKPRSA,N,"TG(15:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CCWZMJPDSMVFGX-XYEMWKPRSA-N
HMDB43423,830.772726384,C54H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H102O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,52H,4-16,18-19,21-25,27,29-51H2,1-3H3/b20-17-,28-26-/t52-/m1/s1",SJKDNXWNQWFMQL,MXIZALJSSA,N,"TG(15:0/18:2(9Z,12Z)/o-18:0)",SJKDNXWNQWFMQL-MXIZALJSSA-N
HMDB43424,800.689390676,C51H92O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h16,19,25-26,30,33,48H,4-15,17-18,20-24,27-29,31-32,34-47H2,1-3H3/b19-16-,26-25-,33-30-",OZFCNFMDRGLZBD,HAZHBMOMSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/15:0)",OZFCNFMDRGLZBD-HAZHBMOMSA-N
HMDB43425,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,31,34,49H,4-15,17-18,20-24,27-30,32-33,35-48H2,1-3H3/b19-16-,26-25-,34-31-/t49-/m0/s1",VJNDRKZTMDXAOC,ZVLXTMMLSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/16:0)",VJNDRKZTMDXAOC-ZVLXTMMLSA-N
HMDB43426,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,51H,4-16,18-19,21-25,27,29-32,34-35,37-50H2,1-3H3/b20-17-,28-26-,36-33-/t51-/m0/s1",LBTCQHAIXPLSSD,KTSZMYSWSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/18:0)",LBTCQHAIXPLSSD-KTSZMYSWSA-N
HMDB43427,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,53H,4-16,18-19,21-25,27-28,30-34,36-37,39-52H2,1-3H3/b20-17-,29-26-,38-35-/t53-/m0/s1",SFXPGNOTVPCLGV,VMQZNSKASA,N,"TG(15:0/18:3(6Z,9Z,12Z)/20:0)",SFXPGNOTVPCLGV-VMQZNSKASA-N
HMDB43428,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,37,40,55H,4-16,18-19,21-25,27-30,32-36,38-39,41-54H2,1-3H3/b20-17-,31-26-,40-37-/t55-/m0/s1",UYEQRCSOCOOKBP,SNGDCZRFSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/22:0)",UYEQRCSOCOOKBP-SNGDCZRFSA-N
HMDB43429,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,39,42,57H,4-16,18-19,21-25,27-32,34-38,40-41,43-56H2,1-3H3/b20-17-,33-26-,42-39-/t57-/m0/s1",JAVPHHAAEYIKMM,KNGAKILKSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/24:0)",JAVPHHAAEYIKMM-KNGAKILKSA-N
HMDB43430,784.658090554,C50H88O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,29,32,47H,4-14,17,20-23,26-28,30-31,33-46H2,1-3H3/b18-15-,19-16-,25-24-,32-29-/t47-/m1/s1",HSOUODONJNXVMQ,WEMYQRHMSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/14:1(9Z))",HSOUODONJNXVMQ-WEMYQRHMSA-N
HMDB43431,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,31,34,49H,4-15,17-18,21-22,24,27-30,32-33,35-48H2,1-3H3/b19-16-,23-20-,26-25-,34-31-/t49-/m0/s1",UMYKFOIFSMIOSQ,WLPKLQRASA,N,"TG(15:0/18:3(6Z,9Z,12Z)/16:1(9Z))",UMYKFOIFSMIOSQ-WLPKLQRASA-N
HMDB43432,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26,28,33,36,51H,4-16,18,21,23-25,27,29-32,34-35,37-50H2,1-3H3/b20-17-,22-19-,28-26-,36-33-/t51-/m0/s1",OJIMBAPITABMLG,CSCFENSRSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/18:1(11Z))",OJIMBAPITABMLG-CSCFENSRSA-N
HMDB43433,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,51H,4-16,18-19,21-24,29-32,34-35,37-50H2,1-3H3/b20-17-,27-25-,28-26-,36-33-/t51-/m0/s1",INUXFVVKKZQTRM,RIJJUSOKSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/18:1(9Z))",INUXFVVKKZQTRM-RIJJUSOKSA-N
HMDB43434,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,35,38,53H,4-16,18-19,21-24,28,30-34,36-37,39-52H2,1-3H3/b20-17-,27-25-,29-26-,38-35-/t53-/m0/s1",NVPVWAAYLOXLNU,GHNITSCOSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/20:1(11Z))",NVPVWAAYLOXLNU-GHNITSCOSA-N
HMDB43435,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-31,35,37-38,40,53H,4-16,18-19,21-24,28,32-34,36,39,41-52H2,1-3H3/b20-17-,27-25-,29-26-,31-30-,38-35-,40-37-/t53-/m0/s1",LECMZOZZQBYBAR,LPUOPEFBSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",LECMZOZZQBYBAR-LPUOPEFBSA-N
HMDB43436,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,37,40,55H,4-16,18-19,21-24,28-30,32-36,38-39,41-54H2,1-3H3/b20-17-,27-25-,31-26-,40-37-/t55-/m0/s1",ZURRHBGBXGLPHI,YQDWTBABSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/22:1(13Z))",ZURRHBGBXGLPHI-YQDWTBABSA-N
HMDB43437,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,39,42,57H,4-16,18-19,21-24,28-32,34-38,40-41,43-56H2,1-3H3/b20-17-,27-25-,33-26-,42-39-/t57-/m0/s1",GKMORUSRTMSQMC,GUYHVJHPSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/24:1(15Z))",GKMORUSRTMSQMC-GUYHVJHPSA-N
HMDB43438,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,51H,4-15,18,21-24,29-32,34-35,37-50H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-/t51-/m0/s1",NRROBMQZLWFMNW,FOFXNKSHSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",NRROBMQZLWFMNW-FOFXNKSHSA-N
HMDB43439,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32-33,35-36,51H,4-15,18,21-24,29-31,34,37-50H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-32-,36-33-/t51-/m0/s1",HLPXOOCWSDOREC,DEXJDFSWSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",HLPXOOCWSDOREC-DEXJDFSWSA-N
HMDB43440,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,35,38,53H,4-15,18,21-24,28,30-34,36-37,39-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,38-35-/t53-/m0/s1",QHZCBHXUZKDICC,KDWPHALWSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/20:2n6)",QHZCBHXUZKDICC-KDWPHALWSA-N
HMDB43441,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35,38,53H,4-15,18,21-24,28,32-34,36-37,39-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,31-30-,38-35-/t53-/m0/s1",FZRSKGVAJUEIMB,JPIVSCSWSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/20:3n6)",FZRSKGVAJUEIMB-JPIVSCSWSA-N
HMDB43442,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35,37-38,40,53H,4-15,18,21-24,28,32-34,36,39,41-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,31-30-,38-35-,40-37-/t53-/m0/s1",JYEBOMJEGQUMKQ,VIVHPCOJSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",JYEBOMJEGQUMKQ-VIVHPCOJSA-N
HMDB43443,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,37,40,55H,4-15,18,21-24,28-30,32-36,38-39,41-54H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,40-37-/t55-/m0/s1",MAUHSUFTWXUWIX,SNAVRUJDSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",MAUHSUFTWXUWIX-SNAVRUJDSA-N
HMDB43444,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,33,36-37,40,55H,4-15,18,21-24,28,32,34-35,38-39,41-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-/t55-/m0/s1",LBVQZZXEQAQWJE,KMSXFNBOSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",LBVQZZXEQAQWJE-KMSXFNBOSA-N
HMDB43445,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,33,36-37,40,42,45,55H,4-15,18,21-24,28,32,34-35,38-39,41,43-44,46-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-,45-42-/t55-/m0/s1",DQMRDBAQKCEVBB,MJKCEBJUSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DQMRDBAQKCEVBB-MJKCEBJUSA-N
HMDB43446,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,33,36,51H,4-6,8-9,11-15,18,21-24,29-32,34-35,37-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,36-33-/t51-/m0/s1",KKGZTJAALMWDDO,PINJBQBCSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",KKGZTJAALMWDDO-PINJBQBCSA-N
HMDB43447,834.673740618,C54H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,32-33,35-36,51H,4-6,8-9,11-15,18,21-24,29-31,34,37-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,35-32-,36-33-/t51-/m0/s1",IPZRHPDQZSVWCD,XZZWCZHZSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",IPZRHPDQZSVWCD-XZZWCZHZSA-N
HMDB43448,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,38,53H,4-6,8-9,11-15,18,21-24,28,32-34,36-37,39-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,31-30-,38-35-/t53-/m0/s1",QALAHKQRSUPANA,QTNLZLOUSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",QALAHKQRSUPANA-QTNLZLOUSA-N
HMDB43449,860.689390682,C56H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,37-38,40,53H,4-6,8-9,11-15,18,21-24,28,32-34,36,39,41-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,31-30-,38-35-,40-37-/t53-/m0/s1",BZTOOKGLTZMARR,KVLOUOGVSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BZTOOKGLTZMARR-KVLOUOGVSA-N
HMDB43450,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,33,36-37,40,55H,4-6,8-9,11-15,18,21-24,28,32,34-35,38-39,41-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-/t55-/m0/s1",WBENTTBFGOYZBK,PAMKYMAQSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WBENTTBFGOYZBK-PAMKYMAQSA-N
HMDB43451,886.705040747,C58H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,33,36-37,40,42,45,55H,4-6,8-9,11-15,18,21-24,28,32,34-35,38-39,41,43-44,46-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-,45-42-/t55-/m0/s1",SNFNQOYAAAMVDM,DTVXOFBBSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SNFNQOYAAAMVDM-DTVXOFBBSA-N
HMDB43452,828.75707632,C54H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,52H,4-16,18-19,21-25,27,29-32,34-35,37-51H2,1-3H3/b20-17-,28-26-,36-33-/t52-/m1/s1",YJVSUEAKVIVQIZ,ZSZRDWCUSA,N,"TG(15:0/18:3(6Z,9Z,12Z)/o-18:0)",YJVSUEAKVIVQIZ-ZSZRDWCUSA-N
HMDB43453,830.736340876,C53H98O6,[H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16-,26-25-",ZKRSECJSVCKCSF,DHSNEXAOSA,N,TG(15:0/20:2n6/15:0),ZKRSECJSVCKCSF-DHSNEXAOSA-N
HMDB43454,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,51H,4-15,17-18,20-24,27-50H2,1-3H3/b19-16-,26-25-/t51-/m0/s1",JCRBUWOHKCTOPZ,GYPIRRIZSA,N,TG(15:0/20:2n6/16:0),JCRBUWOHKCTOPZ-GYPIRRIZSA-N
HMDB43455,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,53H,4-15,17-18,20-24,26,28-52H2,1-3H3/b19-16-,27-25-/t53-/m0/s1",ULAVJROYGIJNJC,XUAZCYQCSA,N,TG(15:0/20:2n6/18:0),ULAVJROYGIJNJC-XUAZCYQCSA-N
HMDB43456,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,55H,4-16,18-19,21-25,27,29-54H2,1-3H3/b20-17-,28-26-/t55-/m0/s1",SWJJYBLBUOXNBI,YQEGDXBQSA,N,TG(15:0/20:2n6/20:0),SWJJYBLBUOXNBI-YQEGDXBQSA-N
HMDB43457,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,57H,4-16,18-19,21-25,27,29-56H2,1-3H3/b20-17-,28-26-/t57-/m0/s1",PLTXUCXQVCAYCR,SEUCEGGKSA,N,TG(15:0/20:2n6/22:0),PLTXUCXQVCAYCR-SEUCEGGKSA-N
HMDB43458,956.877191455,C62H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,59H,4-16,18-19,21-25,27,29-58H2,1-3H3/b20-17-,28-26-/t59-/m0/s1",VDIWWKRJTICLFM,JMCHWVHVSA,N,TG(15:0/20:2n6/24:0),VDIWWKRJTICLFM-JMCHWVHVSA-N
HMDB43459,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,49H,4-14,17,20-23,26-48H2,1-3H3/b18-15-,19-16-,25-24-/t49-/m1/s1",BGCICDMLQBHTJZ,UCRHSGMYSA,N,TG(15:0/20:2n6/14:1(9Z)),BGCICDMLQBHTJZ-UCRHSGMYSA-N
HMDB43460,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,51H,4-15,17-18,21-22,24,27-50H2,1-3H3/b19-16-,23-20-,26-25-/t51-/m0/s1",CDADMZPLSYSPIH,QJWNQIOASA,N,TG(15:0/20:2n6/16:1(9Z)),CDADMZPLSYSPIH-QJWNQIOASA-N
HMDB43461,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,53H,4-15,17-18,21-22,24,26,28-52H2,1-3H3/b19-16-,23-20-,27-25-/t53-/m0/s1",IYWDVFRDSRKEHN,RSXUMRGKSA,N,TG(15:0/20:2n6/18:1(11Z)),IYWDVFRDSRKEHN-RSXUMRGKSA-N
HMDB43462,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29,53H,4-15,17-18,20-24,28,30-52H2,1-3H3/b19-16-,27-25-,29-26-/t53-/m0/s1",FTYIOZYHFBZGCO,SNRVFDCWSA,N,TG(15:0/20:2n6/18:1(9Z)),FTYIOZYHFBZGCO-SNRVFDCWSA-N
HMDB43463,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,55H,4-16,18-19,21-24,29-54H2,1-3H3/b20-17-,27-25-,28-26-/t55-/m0/s1",RTBRCTDGSUJPRS,WMNZISQMSA,N,TG(15:0/20:2n6/20:1(11Z)),RTBRCTDGSUJPRS-WMNZISQMSA-N
HMDB43464,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,31,33,39,42,55H,4-16,18-19,21-24,29-30,32,34-38,40-41,43-54H2,1-3H3/b20-17-,27-25-,28-26-,33-31-,42-39-/t55-/m0/s1",DZTNCCMKAZGGHK,QDBOWSJTSA,N,"TG(15:0/20:2n6/20:3(5Z,8Z,11Z))",DZTNCCMKAZGGHK-QDBOWSJTSA-N
HMDB43465,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,57H,4-16,18-19,21-24,29-56H2,1-3H3/b20-17-,27-25-,28-26-/t57-/m0/s1",NQJNQELUHIIOLU,JTTJBIHXSA,N,TG(15:0/20:2n6/22:1(13Z)),NQJNQELUHIIOLU-JTTJBIHXSA-N
HMDB43466,954.861541391,C62H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,59H,4-16,18-19,21-24,29-58H2,1-3H3/b20-17-,27-25-,28-26-/t59-/m0/s1",IVTQUDKCAUUIQH,HXOGXHPOSA,N,TG(15:0/20:2n6/24:1(15Z)),IVTQUDKCAUUIQH-HXOGXHPOSA-N
HMDB43467,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,53H,4-15,18,21-24,28,30-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-/t53-/m0/s1",QQOWBBNSZJQPRG,IJJKIVKYSA,N,"TG(15:0/20:2n6/18:2(9Z,12Z))",QQOWBBNSZJQPRG-IJJKIVKYSA-N
HMDB43468,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,34,37,53H,4-15,18,21-24,28,30-33,35-36,38-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,37-34-/t53-/m0/s1",ROVSEFQYBHYORT,SJZONTNCSA,N,"TG(15:0/20:2n6/18:3(6Z,9Z,12Z))",ROVSEFQYBHYORT-SJZONTNCSA-N
HMDB43469,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,55H,4-15,18,21-24,29-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t55-/m0/s1",CTYKAHIYZXXTIN,GTFPHAHYSA,N,TG(15:0/20:2n6/20:2n6),CTYKAHIYZXXTIN-GTFPHAHYSA-N
HMDB43470,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,55H,4-15,18,21-24,29-30,32,34-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-/t55-/m0/s1",PWIHRODZHBOOOS,PYIGHSPSSA,N,TG(15:0/20:2n6/20:3n6),PWIHRODZHBOOOS-PYIGHSPSSA-N
HMDB43471,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,39,42,55H,4-15,18,21-24,29-30,32,34-38,40-41,43-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,42-39-/t55-/m0/s1",YRIVSXDJQGUUPE,OWIPWKCVSA,N,"TG(15:0/20:2n6/20:4(5Z,8Z,11Z,14Z))",YRIVSXDJQGUUPE-OWIPWKCVSA-N
HMDB43472,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,57H,4-15,18,21-24,29-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t57-/m0/s1",LGMUPZCATMHWNA,UMRGSKBISA,N,"TG(15:0/20:2n6/22:2(13Z,16Z))",LGMUPZCATMHWNA-UMRGSKBISA-N
HMDB43473,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,35,38,57H,4-15,18,21-24,29,31,33-34,36-37,39-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,38-35-/t57-/m0/s1",WPNYSAAOGKWRME,PUZHHQGWSA,N,"TG(15:0/20:2n6/22:4(7Z,10Z,13Z,16Z))",WPNYSAAOGKWRME-PUZHHQGWSA-N
HMDB43474,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,35,38,44,47,57H,4-15,18,21-24,29,31,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,38-35-,47-44-/t57-/m0/s1",ZNGZYWBDVZICGU,OOLVIYCRSA,N,"TG(15:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",ZNGZYWBDVZICGU-OOLVIYCRSA-N
HMDB43475,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,53H,4-7,9-10,12-15,18,21-24,28,30-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-/t53-/m0/s1",PYAPRJGPZHLBDL,GCNIVINMSA,N,"TG(15:0/20:2n6/18:3(9Z,12Z,15Z))",PYAPRJGPZHLBDL-GCNIVINMSA-N
HMDB43476,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,34,37,53H,4-7,9-10,12-15,18,21-24,28,30-33,35-36,38-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,37-34-/t53-/m0/s1",WOVSEVYWUVTYRY,IHMJAQLYSA,N,"TG(15:0/20:2n6/18:4(6Z,9Z,12Z,15Z))",WOVSEVYWUVTYRY-IHMJAQLYSA-N
HMDB43477,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,55H,4-6,8-9,11-15,18,21-24,29-30,32,34-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-/t55-/m0/s1",IIUVBGYDSVUPTF,IBHUYHPKSA,N,"TG(15:0/20:2n6/20:4(8Z,11Z,14Z,17Z))",IIUVBGYDSVUPTF-IBHUYHPKSA-N
HMDB43478,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,39,42,55H,4-6,8-9,11-15,18,21-24,29-30,32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,42-39-/t55-/m0/s1",NOZRDRCGJNYJAG,GZWUGFJVSA,N,"TG(15:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",NOZRDRCGJNYJAG-GZWUGFJVSA-N
HMDB43479,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,35,38,57H,4-6,8-9,11-15,18,21-24,29,31,33-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,38-35-/t57-/m0/s1",VJQIYMGHDOTLIE,HRFCRBMUSA,N,"TG(15:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",VJQIYMGHDOTLIE-HRFCRBMUSA-N
HMDB43480,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,35,38,44,47,57H,4-6,8-9,11-15,18,21-24,29,31,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,38-35-,47-44-/t57-/m0/s1",UXIHJUOGYYWMNE,MLBLRXQQSA,N,"TG(15:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UXIHJUOGYYWMNE-MLBLRXQQSA-N
HMDB43481,858.804026513,C56H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,54H,4-15,17-18,20-24,26,28-53H2,1-3H3/b19-16-,27-25-/t54-/m1/s1",JGPBKGRLNMQDIQ,SPSCBPQESA,N,TG(15:0/20:2n6/o-18:0),JGPBKGRLNMQDIQ-SPSCBPQESA-N
HMDB43482,828.720690804,C53H96O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,50H,4-15,17-18,20-24,27,30-49H2,1-3H3/b19-16-,26-25-,29-28-",SRUFYBIRDNPSFQ,SLJBBTMLSA,N,TG(15:0/20:3n6/15:0),SRUFYBIRDNPSFQ-SLJBBTMLSA-N
HMDB43483,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,51H,4-15,17-18,20-24,27,29,31-50H2,1-3H3/b19-16-,26-25-,30-28-/t51-/m0/s1",KFJPYNZNXSQRNB,GGVKXYRHSA,N,TG(15:0/20:3n6/16:0),KFJPYNZNXSQRNB-GGVKXYRHSA-N
HMDB43484,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,53H,4-15,17-18,20-24,26,28-29,31,33-52H2,1-3H3/b19-16-,27-25-,32-30-/t53-/m0/s1",ZYLFFWPDFPUKFQ,LIIRJLGKSA,N,TG(15:0/20:3n6/18:0),ZYLFFWPDFPUKFQ-LIIRJLGKSA-N
HMDB43485,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,34,55H,4-16,18-19,21-25,27,29-31,33,35-54H2,1-3H3/b20-17-,28-26-,34-32-/t55-/m0/s1",WTMANSPIMTYBGE,ZPCFJENCSA,N,TG(15:0/20:3n6/20:0),WTMANSPIMTYBGE-ZPCFJENCSA-N
HMDB43486,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,36,57H,4-16,18-19,21-25,27,29-33,35,37-56H2,1-3H3/b20-17-,28-26-,36-34-/t57-/m0/s1",VMVNTSRZEMTQFB,ZPUOMWJLSA,N,TG(15:0/20:3n6/22:0),VMVNTSRZEMTQFB-ZPUOMWJLSA-N
HMDB43487,954.861541391,C62H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,36,38,59H,4-16,18-19,21-25,27,29-35,37,39-58H2,1-3H3/b20-17-,28-26-,38-36-/t59-/m0/s1",CUXUUDYIUYAEMJ,LXWZXYLWSA,N,TG(15:0/20:3n6/24:0),CUXUUDYIUYAEMJ-LXWZXYLWSA-N
HMDB43488,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,49H,4-14,17,20-23,26,29-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-/t49-/m1/s1",QZKAUADUGJHPQT,GDFQCWDFSA,N,TG(15:0/20:3n6/14:1(9Z)),QZKAUADUGJHPQT-GDFQCWDFSA-N
HMDB43489,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,51H,4-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-/t51-/m0/s1",RDZLWHYYPCHUSU,FDPZATRVSA,N,TG(15:0/20:3n6/16:1(9Z)),RDZLWHYYPCHUSU-FDPZATRVSA-N
HMDB43490,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,32,53H,4-15,17-18,21-22,24,26,28-29,31,33-52H2,1-3H3/b19-16-,23-20-,27-25-,32-30-/t53-/m0/s1",UJKWICKNODSMSJ,MEAHAJCSSA,N,TG(15:0/20:3n6/18:1(11Z)),UJKWICKNODSMSJ-MEAHAJCSSA-N
HMDB43491,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,53H,4-15,17-18,20-24,28,31,33-52H2,1-3H3/b19-16-,27-25-,29-26-,32-30-/t53-/m0/s1",CTWHBSFEZLGSAW,QXDCUXCOSA,N,TG(15:0/20:3n6/18:1(9Z)),CTWHBSFEZLGSAW-QXDCUXCOSA-N
HMDB43492,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,55H,4-16,18-19,21-24,29-31,33,35-54H2,1-3H3/b20-17-,27-25-,28-26-,34-32-/t55-/m0/s1",ZFYAXBKPUHHCJZ,XNUJDKPWSA,N,TG(15:0/20:3n6/20:1(11Z)),ZFYAXBKPUHHCJZ-XNUJDKPWSA-N
HMDB43493,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,31-34,39,42,55H,4-16,18-19,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b20-17-,27-25-,28-26-,33-31-,34-32-,42-39-/t55-/m0/s1",ZKEUYNWCUYWLNA,OZBORADXSA,N,"TG(15:0/20:3n6/20:3(5Z,8Z,11Z))",ZKEUYNWCUYWLNA-OZBORADXSA-N
HMDB43494,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,34,36,57H,4-16,18-19,21-24,29-33,35,37-56H2,1-3H3/b20-17-,27-25-,28-26-,36-34-/t57-/m0/s1",ZJVHHCAQGHJNDA,BJEVPTMGSA,N,TG(15:0/20:3n6/22:1(13Z)),ZJVHHCAQGHJNDA-BJEVPTMGSA-N
HMDB43495,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,36,38,59H,4-16,18-19,21-24,29-35,37,39-58H2,1-3H3/b20-17-,27-25-,28-26-,38-36-/t59-/m0/s1",VCPQKNQZLDXCTL,OUVQFZBESA,N,TG(15:0/20:3n6/24:1(15Z)),VCPQKNQZLDXCTL-OUVQFZBESA-N
HMDB43496,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,53H,4-15,18,21-24,28,31,33-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-/t53-/m0/s1",AOAFAYLXSITMCO,BUPMYVNUSA,N,"TG(15:0/20:3n6/18:2(9Z,12Z))",AOAFAYLXSITMCO-BUPMYVNUSA-N
HMDB43497,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,34,37,53H,4-15,18,21-24,28,31,33,35-36,38-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,37-34-/t53-/m0/s1",DOFPASFFMCSURJ,DJZWLNFKSA,N,"TG(15:0/20:3n6/18:3(6Z,9Z,12Z))",DOFPASFFMCSURJ-DJZWLNFKSA-N
HMDB43498,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,55H,4-15,18,21-24,29-31,33,35-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-/t55-/m0/s1",OJTIKHMNJGDGKN,IDMFMDEISA,N,TG(15:0/20:3n6/20:2n6),OJTIKHMNJGDGKN-IDMFMDEISA-N
HMDB43499,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,55H,4-15,18,21-24,29-30,35-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-/t55-/m0/s1",VNKFJQDGOLFDBJ,XHRMCXLPSA,N,TG(15:0/20:3n6/20:3n6),VNKFJQDGOLFDBJ-XHRMCXLPSA-N
HMDB43500,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,39,42,55H,4-15,18,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-/t55-/m0/s1",FNKJYZHOCLKKOQ,FNRGDDTPSA,N,"TG(15:0/20:3n6/20:4(5Z,8Z,11Z,14Z))",FNKJYZHOCLKKOQ-FNRGDDTPSA-N
HMDB43501,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,34,36,57H,4-15,18,21-24,29-33,35,37-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-34-/t57-/m0/s1",SAMWEECTNMMPBT,BGQSUVCKSA,N,"TG(15:0/20:3n6/22:2(13Z,16Z))",SAMWEECTNMMPBT-BGQSUVCKSA-N
HMDB43502,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34-36,38,57H,4-15,18,21-24,29,31,33,37,39-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-/t57-/m0/s1",QCBVUHWBHRNFAI,ZTYRZCDTSA,N,"TG(15:0/20:3n6/22:4(7Z,10Z,13Z,16Z))",QCBVUHWBHRNFAI-ZTYRZCDTSA-N
HMDB43503,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34-36,38,44,47,57H,4-15,18,21-24,29,31,33,37,39-43,45-46,48-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,47-44-/t57-/m0/s1",IUFABOOOWACIRE,ZOXVZOOFSA,N,"TG(15:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",IUFABOOOWACIRE-ZOXVZOOFSA-N
HMDB43504,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,53H,4-7,9-10,12-15,18,21-24,28,31,33-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-/t53-/m0/s1",HWMHTMYOMYQDHE,ANMHALNSSA,N,"TG(15:0/20:3n6/18:3(9Z,12Z,15Z))",HWMHTMYOMYQDHE-ANMHALNSSA-N
HMDB43505,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,34,37,53H,4-7,9-10,12-15,18,21-24,28,31,33,35-36,38-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-/t53-/m0/s1",NRRBDWWQVVDMSZ,XQWGAMLCSA,N,"TG(15:0/20:3n6/18:4(6Z,9Z,12Z,15Z))",NRRBDWWQVVDMSZ-XQWGAMLCSA-N
HMDB43506,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,55H,4-6,8-9,11-15,18,21-24,29-30,35-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-/t55-/m0/s1",QRGQUKSAXYYKGX,QIEJPOKASA,N,"TG(15:0/20:3n6/20:4(8Z,11Z,14Z,17Z))",QRGQUKSAXYYKGX-QIEJPOKASA-N
HMDB43507,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,39,42,55H,4-6,8-9,11-15,18,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-/t55-/m0/s1",ZYYQFIVTVYQHRI,HKMYSPONSA,N,"TG(15:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",ZYYQFIVTVYQHRI-HKMYSPONSA-N
HMDB43508,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34-36,38,57H,4-6,8-9,11-15,18,21-24,29,31,33,37,39-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-/t57-/m0/s1",DNAINJKVRRIKGB,YALCWXNHSA,N,"TG(15:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",DNAINJKVRRIKGB-YALCWXNHSA-N
HMDB43509,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34-36,38,44,47,57H,4-6,8-9,11-15,18,21-24,29,31,33,37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,47-44-/t57-/m0/s1",LCBOPCAFWDEZRH,FVDUIIEGSA,N,"TG(15:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LCBOPCAFWDEZRH-FVDUIIEGSA-N
HMDB43510,856.788376449,C56H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,54H,4-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b19-16-,27-25-,32-30-/t54-/m1/s1",ZGCRJNWQQJBXON,LWFFWPLASA,N,TG(15:0/20:3n6/o-18:0),ZGCRJNWQQJBXON-LWFFWPLASA-N
HMDB43511,826.70504074,C53H94O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,35,38,50H,4-15,17-18,20-24,27,30-34,36-37,39-49H2,1-3H3/b19-16-,26-25-,29-28-,38-35-",MOJOQQHGVACOMZ,DVCYTMDGSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/15:0)",MOJOQQHGVACOMZ-DVCYTMDGSA-N
HMDB43512,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,36,39,51H,4-15,17-18,20-24,27,29,31-35,37-38,40-50H2,1-3H3/b19-16-,26-25-,30-28-,39-36-/t51-/m0/s1",ADOLOICDYAJIAV,NSDYLRNMSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/16:0)",ADOLOICDYAJIAV-NSDYLRNMSA-N
HMDB43513,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,38,41,53H,4-15,17-18,20-24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b19-16-,27-25-,32-30-,41-38-/t53-/m0/s1",SZZIWUZZXZHIKB,XALNFIIYSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:0)",SZZIWUZZXZHIKB-XALNFIIYSA-N
HMDB43514,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,34,40,43,55H,4-16,18-19,21-25,27,29-31,33,35-39,41-42,44-54H2,1-3H3/b20-17-,28-26-,34-32-,43-40-/t55-/m0/s1",NCHFLBDZSDCXDQ,COKIJVKSSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:0)",NCHFLBDZSDCXDQ-COKIJVKSSA-N
HMDB43515,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,36,42,45,57H,4-16,18-19,21-25,27,29-33,35,37-41,43-44,46-56H2,1-3H3/b20-17-,28-26-,36-34-,45-42-/t57-/m0/s1",JUGMYMSENHZDFP,XHFKUHIXSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:0)",JUGMYMSENHZDFP-XHFKUHIXSA-N
HMDB43516,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,36,38,44,47,59H,4-16,18-19,21-25,27,29-35,37,39-43,45-46,48-58H2,1-3H3/b20-17-,28-26-,38-36-,47-44-/t59-/m0/s1",SXYVNHYLNOIFCY,OZPQAXABSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/24:0)",SXYVNHYLNOIFCY-OZPQAXABSA-N
HMDB43517,810.673740618,C52H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,34,37,49H,4-14,17,20-23,26,29-33,35-36,38-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,37-34-/t49-/m1/s1",WKAIBMLBVQTAIY,VELNTGLPSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))",WKAIBMLBVQTAIY-VELNTGLPSA-N
HMDB43518,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,36,39,51H,4-15,17-18,21-22,24,27,29,31-35,37-38,40-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-,39-36-/t51-/m0/s1",SEWSIGGAVGEBJV,OUOOWHNXSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",SEWSIGGAVGEBJV-OUOOWHNXSA-N
HMDB43519,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,32,38,41,53H,4-15,17-18,21-22,24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b19-16-,23-20-,27-25-,32-30-,41-38-/t53-/m0/s1",HNSIMFNJAKVQTG,QIIQWJMFSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",HNSIMFNJAKVQTG-QIIQWJMFSA-N
HMDB43520,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,38,41,53H,4-15,17-18,20-24,28,31,33-37,39-40,42-52H2,1-3H3/b19-16-,27-25-,29-26-,32-30-,41-38-/t53-/m0/s1",VDTBGHFSFUZWSH,VXURGNDNSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",VDTBGHFSFUZWSH-VXURGNDNSA-N
HMDB43521,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,40,43,55H,4-16,18-19,21-24,29-31,33,35-39,41-42,44-54H2,1-3H3/b20-17-,27-25-,28-26-,34-32-,43-40-/t55-/m0/s1",BFSOBPWZXYQARL,BODFXREOSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",BFSOBPWZXYQARL-BODFXREOSA-N
HMDB43522,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,31-34,39-40,42-43,55H,4-16,18-19,21-24,29-30,35-38,41,44-54H2,1-3H3/b20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-/t55-/m0/s1",CJJSHVLZUMPMCC,PBDKXGTRSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",CJJSHVLZUMPMCC-PBDKXGTRSA-N
HMDB43523,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,34,36,42,45,57H,4-16,18-19,21-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b20-17-,27-25-,28-26-,36-34-,45-42-/t57-/m0/s1",MOIPDTXEFHOEGG,VZYJFPIGSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",MOIPDTXEFHOEGG-VZYJFPIGSA-N
HMDB43524,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,36,38,44,47,59H,4-16,18-19,21-24,29-35,37,39-43,45-46,48-58H2,1-3H3/b20-17-,27-25-,28-26-,38-36-,47-44-/t59-/m0/s1",CPXQGPVBVOURNE,FCUHVOOGSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",CPXQGPVBVOURNE-FCUHVOOGSA-N
HMDB43525,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,38,41,53H,4-15,18,21-24,28,31,33-37,39-40,42-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,41-38-/t53-/m0/s1",WMIQSYIYOLBAFR,IZVRJWKXSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",WMIQSYIYOLBAFR-IZVRJWKXSA-N
HMDB43526,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,34,37-38,41,53H,4-15,18,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,37-34-,41-38-/t53-/m0/s1",CONMPBSKOMLERD,GDTMDHJBSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",CONMPBSKOMLERD-GDTMDHJBSA-N
HMDB43527,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,40,43,55H,4-15,18,21-24,29-31,33,35-39,41-42,44-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-,43-40-/t55-/m0/s1",PSTSYVOZOKRILM,CTLFKCLJSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)",PSTSYVOZOKRILM-CTLFKCLJSA-N
HMDB43528,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,40,43,55H,4-15,18,21-24,29-30,35-39,41-42,44-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,43-40-/t55-/m0/s1",IZGRMLMLUYPXET,INBOYZSPSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)",IZGRMLMLUYPXET-INBOYZSPSA-N
HMDB43529,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,39-40,42-43,55H,4-15,18,21-24,29-30,35-38,41,44-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-/t55-/m0/s1",WGBLYIVQHHBSJP,ZQSDUADASA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",WGBLYIVQHHBSJP-ZQSDUADASA-N
HMDB43530,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,34,36,42,45,57H,4-15,18,21-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-34-,45-42-/t57-/m0/s1",ZUUZFSJFRFUBCL,ZSMKWTQYSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",ZUUZFSJFRFUBCL-ZSMKWTQYSA-N
HMDB43531,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34-36,38,42,45,57H,4-15,18,21-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-/t57-/m0/s1",DBRGTRYIRRBDBT,SNCUAXDASA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",DBRGTRYIRRBDBT-SNCUAXDASA-N
HMDB43532,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34-36,38,42,44-45,47,57H,4-15,18,21-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-/t57-/m0/s1",OBUSSWVTMKCZMQ,CPLFOODNSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OBUSSWVTMKCZMQ-CPLFOODNSA-N
HMDB43533,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,38,41,53H,4-7,9-10,12-15,18,21-24,28,31,33-37,39-40,42-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,41-38-/t53-/m0/s1",LVWFXABZMVFMOC,YLEAXJTRSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",LVWFXABZMVFMOC-YLEAXJTRSA-N
HMDB43534,860.689390682,C56H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,34,37-38,41,53H,4-7,9-10,12-15,18,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-,41-38-/t53-/m0/s1",ZVMMFEVXRUGIBX,KAOYLFDESA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",ZVMMFEVXRUGIBX-KAOYLFDESA-N
HMDB43535,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,40,43,55H,4-6,8-9,11-15,18,21-24,29-30,35-39,41-42,44-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,43-40-/t55-/m0/s1",FYVIHFNXAYGEPH,XLUPUNRJSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",FYVIHFNXAYGEPH-XLUPUNRJSA-N
HMDB43536,886.705040747,C58H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,39-40,42-43,55H,4-6,8-9,11-15,18,21-24,29-30,35-38,41,44-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-/t55-/m0/s1",MZMDWTSJLXIFQW,USPACTRKSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MZMDWTSJLXIFQW-USPACTRKSA-N
HMDB43537,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34-36,38,42,45,57H,4-6,8-9,11-15,18,21-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-/t57-/m0/s1",MDSRBPFYQFNJDJ,XINRHCGMSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MDSRBPFYQFNJDJ-XINRHCGMSA-N
HMDB43538,912.720690811,C60H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34-36,38,42,44-45,47,57H,4-6,8-9,11-15,18,21-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-/t57-/m0/s1",GSFXTLKEIOKHOV,QHAAEIBJSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GSFXTLKEIOKHOV-QHAAEIBJSA-N
HMDB43539,854.772726384,C56H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,38,41,54H,4-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,32-30-,41-38-/t54-/m1/s1",JTONVSJMUYQHLH,RHFYBLIZSA,N,"TG(15:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)",JTONVSJMUYQHLH-RHFYBLIZSA-N
HMDB43540,858.767640996,C55H102O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h16,19,25-26,52H,4-15,17-18,20-24,27-51H2,1-3H3/b19-16-,26-25-",XVHKSJVTDZQXLF,DHSNEXAOSA,N,"TG(15:0/22:2(13Z,16Z)/15:0)",XVHKSJVTDZQXLF-DHSNEXAOSA-N
HMDB43541,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,53H,4-15,17-18,20-24,27-52H2,1-3H3/b19-16-,26-25-/t53-/m0/s1",SEWGMTVGNJOJLP,LCIPQWFZSA,N,"TG(15:0/22:2(13Z,16Z)/16:0)",SEWGMTVGNJOJLP-LCIPQWFZSA-N
HMDB43542,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-/t55-/m0/s1",JQYLKLXRYUAGEW,ZBSMQTIBSA,N,"TG(15:0/22:2(13Z,16Z)/18:0)",JQYLKLXRYUAGEW-ZBSMQTIBSA-N
HMDB43543,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-/t57-/m0/s1",RWXRKOMDLJDKEA,UVWMBFROSA,N,"TG(15:0/22:2(13Z,16Z)/20:0)",RWXRKOMDLJDKEA-UVWMBFROSA-N
HMDB43544,956.877191455,C62H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,59H,4-16,18-19,21-25,27,29-58H2,1-3H3/b20-17-,28-26-/t59-/m0/s1",XBHYOHSNESWGES,JMCHWVHVSA,N,"TG(15:0/22:2(13Z,16Z)/22:0)",XBHYOHSNESWGES-JMCHWVHVSA-N
HMDB43545,984.908491584,C64H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,61H,4-16,18-19,21-25,27,29-60H2,1-3H3/b20-17-,28-26-/t61-/m0/s1",WQIXKFUOAISXFG,KMGTXCEMSA,N,"TG(15:0/22:2(13Z,16Z)/24:0)",WQIXKFUOAISXFG-KMGTXCEMSA-N
HMDB43546,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,51H,4-14,17,20-23,26-50H2,1-3H3/b18-15-,19-16-,25-24-/t51-/m1/s1",PBXBPMVNZAGNPS,JDYDOGLSSA,N,"TG(15:0/22:2(13Z,16Z)/14:1(9Z))",PBXBPMVNZAGNPS-JDYDOGLSSA-N
HMDB43547,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,53H,4-15,17-18,21-22,24,27-52H2,1-3H3/b19-16-,23-20-,26-25-/t53-/m0/s1",LIVGBAKTCNBRTP,FQPHMWNESA,N,"TG(15:0/22:2(13Z,16Z)/16:1(9Z))",LIVGBAKTCNBRTP-FQPHMWNESA-N
HMDB43548,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,55H,4-15,17-18,21-22,24,26,28-54H2,1-3H3/b19-16-,23-20-,27-25-/t55-/m0/s1",JCXAOTNONHNUHF,HNBAGWGBSA,N,"TG(15:0/22:2(13Z,16Z)/18:1(11Z))",JCXAOTNONHNUHF-HNBAGWGBSA-N
HMDB43549,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,55H,4-15,17-18,20-24,28-30,32-54H2,1-3H3/b19-16-,27-25-,31-26-/t55-/m0/s1",UJQAYELTSBRSML,WEYDMKCFSA,N,"TG(15:0/22:2(13Z,16Z)/18:1(9Z))",UJQAYELTSBRSML-WEYDMKCFSA-N
HMDB43550,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,57H,4-15,17-18,20-24,29-56H2,1-3H3/b19-16-,27-25-,28-26-/t57-/m0/s1",XHKHEYJIXZVIKL,DMJNNAIESA,N,"TG(15:0/22:2(13Z,16Z)/20:1(11Z))",XHKHEYJIXZVIKL-DMJNNAIESA-N
HMDB43551,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,33,35,41,44,57H,4-15,17-18,20-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b19-16-,27-25-,28-26-,35-33-,44-41-/t57-/m0/s1",ZLCDNUUGGQWLNU,GHJRPZSUSA,N,"TG(15:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",ZLCDNUUGGQWLNU-GHJRPZSUSA-N
HMDB43552,954.861541391,C62H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,59H,4-16,18-19,21-24,29-58H2,1-3H3/b20-17-,27-25-,28-26-/t59-/m0/s1",WSQXCCMJECWFCS,HXOGXHPOSA,N,"TG(15:0/22:2(13Z,16Z)/22:1(13Z))",WSQXCCMJECWFCS-HXOGXHPOSA-N
HMDB43553,982.89284152,C64H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,61H,4-16,18-19,21-24,29-60H2,1-3H3/b20-17-,27-25-,28-26-/t61-/m0/s1",XKMFPPKXWLKGLU,HWWOLRBVSA,N,"TG(15:0/22:2(13Z,16Z)/24:1(15Z))",XKMFPPKXWLKGLU-HWWOLRBVSA-N
HMDB43554,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,55H,4-15,18,21-24,28-30,32-54H2,1-3H3/b19-16-,20-17-,27-25-,31-26-/t55-/m0/s1",AJCVSKDDEKJMGM,WFWVJCKJSA,N,"TG(15:0/22:2(13Z,16Z)/18:2(9Z,12Z))",AJCVSKDDEKJMGM-WFWVJCKJSA-N
HMDB43555,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,36,39,55H,4-15,18,21-24,28-30,32-35,37-38,40-54H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,39-36-/t55-/m0/s1",MALXJUBELQSDST,KRJGJYLPSA,N,"TG(15:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",MALXJUBELQSDST-KRJGJYLPSA-N
HMDB43556,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,57H,4-15,18,21-24,29-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t57-/m0/s1",DKOLIEPCZLFSQX,UMRGSKBISA,N,"TG(15:0/22:2(13Z,16Z)/20:2n6)",DKOLIEPCZLFSQX-UMRGSKBISA-N
HMDB43557,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,35,57H,4-15,18,21-24,29-32,34,36-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-33-/t57-/m0/s1",WRWDRCABSYFXHB,RDOMJWQOSA,N,"TG(15:0/22:2(13Z,16Z)/20:3n6)",WRWDRCABSYFXHB-RDOMJWQOSA-N
HMDB43558,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,35,41,44,57H,4-15,18,21-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-33-,44-41-/t57-/m0/s1",RFEVHCWPZPSRIK,KSTIDIAISA,N,"TG(15:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",RFEVHCWPZPSRIK-KSTIDIAISA-N
HMDB43559,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,59H,4-15,18,21-24,29-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t59-/m0/s1",IUJKPZHWGJSDEC,VHRWHARUSA,N,"TG(15:0/22:2(13Z,16Z)/22:2(13Z,16Z))",IUJKPZHWGJSDEC-VHRWHARUSA-N
HMDB43560,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,37,40,59H,4-15,18,21-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-37-/t59-/m0/s1",CBVXOEOBKRUIIH,GRLJNWQESA,N,"TG(15:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",CBVXOEOBKRUIIH-GRLJNWQESA-N
HMDB43561,946.798941133,C62H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,37,40,46,49,59H,4-15,18,21-24,29-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-37-,49-46-/t59-/m0/s1",MTEDCEUONHVUMR,PUBQEYSRSA,N,"TG(15:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MTEDCEUONHVUMR-PUBQEYSRSA-N
HMDB43562,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,55H,4-7,9-10,12-15,18,21-24,28-30,32-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-/t55-/m0/s1",QPAJAZHPVFXGOB,BFXZVSQVSA,N,"TG(15:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",QPAJAZHPVFXGOB-BFXZVSQVSA-N
HMDB43563,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,36,39,55H,4-7,9-10,12-15,18,21-24,28-30,32-35,37-38,40-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-,39-36-/t55-/m0/s1",YQIPAHAQLCUIGU,INRAZMHMSA,N,"TG(15:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",YQIPAHAQLCUIGU-INRAZMHMSA-N
HMDB43564,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,35,57H,4-7,9-10,12-15,18,21-24,29-32,34,36-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-33-/t57-/m0/s1",FVAKYOMXWUQIJQ,LZAQNHMZSA,N,"TG(15:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",FVAKYOMXWUQIJQ-LZAQNHMZSA-N
HMDB43565,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,35,41,44,57H,4-7,9-10,12-15,18,21-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-33-,44-41-/t57-/m0/s1",ROWKAXIFUURLTF,FAJYZPOTSA,N,"TG(15:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ROWKAXIFUURLTF-FAJYZPOTSA-N
HMDB43566,946.798941133,C62H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,37,40,59H,4-6,8-9,11-15,18,21-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-37-/t59-/m0/s1",POALYTWEHPMVHG,KDAHLSKESA,N,"TG(15:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",POALYTWEHPMVHG-KDAHLSKESA-N
HMDB43567,944.783291069,C62H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,37,40,46,49,59H,4-6,8-9,11-15,18,21-24,29-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-37-,49-46-/t59-/m0/s1",LRGPYPDUCWGZGT,BSGYPHAJSA,N,"TG(15:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LRGPYPDUCWGZGT-BSGYPHAJSA-N
HMDB43568,886.835326642,C58H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-/t56-/m1/s1",ZOQANVPWQNGFBJ,HAVOCZCHSA,N,"TG(15:0/22:2(13Z,16Z)/o-18:0)",ZOQANVPWQNGFBJ-HAVOCZCHSA-N
HMDB43569,854.736340868,C55H98O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,31,34,52H,4-15,17-18,20-24,27,30,32-33,35-51H2,1-3H3/b19-16-,26-25-,29-28-,34-31-",SAYIOOWVMPHXSE,UIAORGJOSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/15:0)",SAYIOOWVMPHXSE-UIAORGJOSA-N
HMDB43570,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,53H,4-15,17-18,20-24,27,30-31,33-34,36-52H2,1-3H3/b19-16-,26-25-,29-28-,35-32-/t53-/m0/s1",KCMDCERRTNLISE,ASDWGYCASA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/16:0)",KCMDCERRTNLISE-ASDWGYCASA-N
HMDB43571,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,55H,4-15,17-18,20-24,26,28,31-33,35-36,38-54H2,1-3H3/b19-16-,27-25-,30-29-,37-34-/t55-/m0/s1",TVOKYELEYWPQHJ,LMZBEZNESA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:0)",TVOKYELEYWPQHJ-LMZBEZNESA-N
HMDB43572,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,57H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-56H2,1-3H3/b19-16-,27-25-,32-30-,39-36-/t57-/m0/s1",PVAYKYVAJQFPGE,KDUWMNDDSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:0)",PVAYKYVAJQFPGE-KDUWMNDDSA-N
HMDB43573,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,34,38,41,59H,4-16,18-19,21-25,27,29-31,33,35-37,39-40,42-58H2,1-3H3/b20-17-,28-26-,34-32-,41-38-/t59-/m0/s1",SEPVTUBBDRBGTC,SJLNYWKTSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:0)",SEPVTUBBDRBGTC-SJLNYWKTSA-N
HMDB43574,980.877191455,C64H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,40,43,61H,4-16,18-19,21-25,27,29-32,34-35,37-39,41-42,44-60H2,1-3H3/b20-17-,28-26-,36-33-,43-40-/t61-/m0/s1",WBOWBAGTIWQKKL,OXTBUFEISA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/24:0)",WBOWBAGTIWQKKL-OXTBUFEISA-N
HMDB43575,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,51H,4-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-/t51-/m1/s1",WOIALHWIWRJURR,LAIKAHNNSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))",WOIALHWIWRJURR-LAIKAHNNSA-N
HMDB43576,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,35,53H,4-15,17-18,21-22,24,27,30-31,33-34,36-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-32-/t53-/m0/s1",PXRFATSMSJIRIV,VRECEFNGSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))",PXRFATSMSJIRIV-VRECEFNGSA-N
HMDB43577,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,34,37,55H,4-15,17-18,21-22,24,26,28,31-33,35-36,38-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-34-/t55-/m0/s1",JSHBPNMTJXXDOE,BQAUTDMUSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))",JSHBPNMTJXXDOE-BQAUTDMUSA-N
HMDB43578,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,55H,4-15,17-18,20-24,28,32-33,35-36,38-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1",MZAJZPNPIBGHHF,GBEIIIRWSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",MZAJZPNPIBGHHF-GBEIIIRWSA-N
HMDB43579,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,57H,4-15,17-18,20-24,29,31,33-35,37-38,40-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-/t57-/m0/s1",YZFUNAUQZUQWRY,PKWCXRJQSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",YZFUNAUQZUQWRY-PKWCXRJQSA-N
HMDB43580,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,35-36,39,41,44,57H,4-15,17-18,20-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-/t57-/m0/s1",OXGHUUBJBUSWSW,BNPJDAPJSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",OXGHUUBJBUSWSW-BNPJDAPJSA-N
HMDB43581,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,38,41,59H,4-16,18-19,21-24,29-31,33,35-37,39-40,42-58H2,1-3H3/b20-17-,27-25-,28-26-,34-32-,41-38-/t59-/m0/s1",AHJNLNVWZAYRSZ,BBURIIHKSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",AHJNLNVWZAYRSZ-BBURIIHKSA-N
HMDB43582,978.861541391,C64H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,40,43,61H,4-16,18-19,21-24,29-32,34-35,37-39,41-42,44-60H2,1-3H3/b20-17-,27-25-,28-26-,36-33-,43-40-/t61-/m0/s1",QHONWHWPILAVOC,UCRSFAFCSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",QHONWHWPILAVOC-UCRSFAFCSA-N
HMDB43583,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,37,55H,4-15,18,21-24,28,32-33,35-36,38-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1",JOVUFDBPYYMECQ,HTCAPOBFSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",JOVUFDBPYYMECQ-HTCAPOBFSA-N
HMDB43584,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,36-37,39,55H,4-15,18,21-24,28,32-33,35,38,40-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-/t55-/m0/s1",LGDFFFWLAPFLKD,WJQBGNKQSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",LGDFFFWLAPFLKD-WJQBGNKQSA-N
HMDB43585,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,36,39,57H,4-15,18,21-24,29,31,33-35,37-38,40-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,39-36-/t57-/m0/s1",SPHMYEVZSGKIQO,PKBLFXTLSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)",SPHMYEVZSGKIQO-PKBLFXTLSA-N
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HMDB43587,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39,41,44,57H,4-15,18,21-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-/t57-/m0/s1",JCSMAUHIXJSUDK,AQMIAKLYSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",JCSMAUHIXJSUDK-AQMIAKLYSA-N
HMDB43588,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,38,41,59H,4-15,18,21-24,29-31,33,35-37,39-40,42-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-,41-38-/t59-/m0/s1",KTZLZACGJVFSJL,OZBWSRPNSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",KTZLZACGJVFSJL-OZBWSRPNSA-N
HMDB43589,944.783291069,C62H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,59H,4-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-/t59-/m0/s1",NJRNTGXFOYGEJM,AMGHTFJZSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",NJRNTGXFOYGEJM-AMGHTFJZSA-N
HMDB43590,942.767641004,C62H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,46,49,59H,4-15,18,21-24,29-30,35-36,39,42-45,47-48,50-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-/t59-/m0/s1",VZWZVVGQXSHCFO,IFFBSROGSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VZWZVVGQXSHCFO-IFFBSROGSA-N
HMDB43591,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,55H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1",FUKWAVPASGDYEJ,BPIHCVSYSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",FUKWAVPASGDYEJ-BPIHCVSYSA-N
HMDB43592,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,36-37,39,55H,4-7,9-10,12-15,18,21-24,28,32-33,35,38,40-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-/t55-/m0/s1",AGDBLCWUBRVZMK,BCOAYGHASA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",AGDBLCWUBRVZMK-BCOAYGHASA-N
HMDB43593,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-/t57-/m0/s1",IVYASMAQCZBGLV,RCCLBRTLSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",IVYASMAQCZBGLV-RCCLBRTLSA-N
HMDB43594,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,41,44,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-/t57-/m0/s1",RHWSCYIWKXFHDN,HOZRCANVSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RHWSCYIWKXFHDN-HOZRCANVSA-N
HMDB43595,942.767641004,C62H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-/t59-/m0/s1",NTQKGVZKLRFCNK,RDVUUUIOSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NTQKGVZKLRFCNK-RDVUUUIOSA-N
HMDB43596,940.75199094,C62H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,46,49,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-/t59-/m0/s1",DNTNCXJYDOHVHT,NGBKCJGKSA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DNTNCXJYDOHVHT-NGBKCJGKSA-N
HMDB43597,882.804026513,C58H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-/t56-/m1/s1",IEYUWTSKPUBHDM,VCYUSANISA,N,"TG(15:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)",IEYUWTSKPUBHDM-VCYUSANISA-N
HMDB43598,852.720690804,C55H96O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,31,34,40,43,52H,4-15,17-18,20-24,27,30,32-33,35-39,41-42,44-51H2,1-3H3/b19-16-,26-25-,29-28-,34-31-,43-40-",IQSXRIYKFXKPPU,JOUZTBHRSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/15:0)",IQSXRIYKFXKPPU-JOUZTBHRSA-N
HMDB43599,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,41,44,53H,4-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-52H2,1-3H3/b19-16-,26-25-,29-28-,35-32-,44-41-/t53-/m0/s1",XKSWGAFXYBUVNV,MSAOHRCTSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",XKSWGAFXYBUVNV-MSAOHRCTSA-N
HMDB43600,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,43,46,55H,4-15,17-18,20-24,26,28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b19-16-,27-25-,30-29-,37-34-,46-43-/t55-/m0/s1",GOXQRGOHYIRIHU,IXYOBNGGSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",GOXQRGOHYIRIHU-IXYOBNGGSA-N
HMDB43601,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,45,48,57H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b19-16-,27-25-,32-30-,39-36-,48-45-/t57-/m0/s1",DAFUXXRHCOTTAG,IRTALZNRSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0)",DAFUXXRHCOTTAG-IRTALZNRSA-N
HMDB43602,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,34,38,41,47,50,59H,4-16,18-19,21-25,27,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b20-17-,28-26-,34-32-,41-38-,50-47-/t59-/m0/s1",QLQQWIVWIGPFKJ,GAKMFIPWSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)",QLQQWIVWIGPFKJ-GAKMFIPWSA-N
HMDB43603,978.861541391,C64H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,40,43,49,52,61H,4-16,18-19,21-25,27,29-32,34-35,37-39,41-42,44-48,50-51,53-60H2,1-3H3/b20-17-,28-26-,36-33-,43-40-,52-49-/t61-/m0/s1",AQHMUZLMZQMGNE,FNPKIVSKSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)",AQHMUZLMZQMGNE-FNPKIVSKSA-N
HMDB43604,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,39,42,51H,4-14,17,20-23,26,29,31-32,34-38,40-41,43-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-,42-39-/t51-/m1/s1",MWYJASLAHJQELK,KMJLXTMESA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))",MWYJASLAHJQELK-KMJLXTMESA-N
HMDB43605,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,35,41,44,53H,4-15,17-18,21-22,24,27,30-31,33-34,36-40,42-43,45-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-32-,44-41-/t53-/m0/s1",WJKCQBHZQFJUSI,CRKAPWJXSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",WJKCQBHZQFJUSI-CRKAPWJXSA-N
HMDB43606,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,34,37,43,46,55H,4-15,17-18,21-22,24,26,28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-34-,46-43-/t55-/m0/s1",SEDGPHHLXSOXOY,OCDZFULUSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",SEDGPHHLXSOXOY-OCDZFULUSA-N
HMDB43607,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,43,46,55H,4-15,17-18,20-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-,46-43-/t55-/m0/s1",CMQKYMBSUHHALQ,LJGNRZLFSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",CMQKYMBSUHHALQ-LJGNRZLFSA-N
HMDB43608,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,45,48,57H,4-15,17-18,20-24,29,31,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-,48-45-/t57-/m0/s1",SEQOIWNZWUVKNG,HUPOCPFVSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",SEQOIWNZWUVKNG-HUPOCPFVSA-N
HMDB43609,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-15,17-18,20-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-/t57-/m0/s1",DCDKMWGPVWOGNG,NITPBXCASA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",DCDKMWGPVWOGNG-NITPBXCASA-N
HMDB43610,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,38,41,47,50,59H,4-16,18-19,21-24,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b20-17-,27-25-,28-26-,34-32-,41-38-,50-47-/t59-/m0/s1",DYROZORMMOBDEX,JHGWCGGGSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",DYROZORMMOBDEX-JHGWCGGGSA-N
HMDB43611,976.845891326,C64H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,40,43,49,52,61H,4-16,18-19,21-24,29-32,34-35,37-39,41-42,44-48,50-51,53-60H2,1-3H3/b20-17-,27-25-,28-26-,36-33-,43-40-,52-49-/t61-/m0/s1",MFRHBAUXTNMHAJ,GSNXQCJYSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",MFRHBAUXTNMHAJ-GSNXQCJYSA-N
HMDB43612,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,37,43,46,55H,4-15,18,21-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-/t55-/m0/s1",RWLVLZQCEZLMRC,UZKBPTNJSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",RWLVLZQCEZLMRC-UZKBPTNJSA-N
HMDB43613,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,36-37,39,43,46,55H,4-15,18,21-24,28,32-33,35,38,40-42,44-45,47-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-,46-43-/t55-/m0/s1",JEEBRKUFKNORMW,VGXXQCENSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",JEEBRKUFKNORMW-VGXXQCENSA-N
HMDB43614,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,36,39,45,48,57H,4-15,18,21-24,29,31,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,39-36-,48-45-/t57-/m0/s1",IRGWEBRSJVBIHR,JCWBVJDMSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",IRGWEBRSJVBIHR-JCWBVJDMSA-N
HMDB43615,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39,45,48,57H,4-15,18,21-24,29,31,34,37-38,40-44,46-47,49-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,48-45-/t57-/m0/s1",OETXWEMHNRZVHP,XWUSEKGLSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",OETXWEMHNRZVHP-XWUSEKGLSA-N
HMDB43616,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-15,18,21-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-/t57-/m0/s1",XLWNKUCORWYZHK,IJDBDJRBSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",XLWNKUCORWYZHK-IJDBDJRBSA-N
HMDB43617,946.798941133,C62H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,38,41,47,50,59H,4-15,18,21-24,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-,41-38-,50-47-/t59-/m0/s1",JEGSJNRPRVOZNI,HZZFKHPMSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",JEGSJNRPRVOZNI-HZZFKHPMSA-N
HMDB43618,942.767641004,C62H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,47,50,59H,4-15,18,21-24,29-30,35-36,39,42-46,48-49,51-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,50-47-/t59-/m0/s1",CDYAPQQWVWVUMC,XQELBXFHSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",CDYAPQQWVWVUMC-XQELBXFHSA-N
HMDB43619,940.75199094,C62H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,46-47,49-50,59H,4-15,18,21-24,29-30,35-36,39,42-45,48,51-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-,50-47-/t59-/m0/s1",IUGJXGYQXQIZCU,AHGRZOMQSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IUGJXGYQXQIZCU-AHGRZOMQSA-N
HMDB43620,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,43,46,55H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-/t55-/m0/s1",QSKGYYFUBPCSEE,RPSIHWDUSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",QSKGYYFUBPCSEE-RPSIHWDUSA-N
HMDB43621,886.705040747,C58H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,36-37,39,43,46,55H,4-7,9-10,12-15,18,21-24,28,32-33,35,38,40-42,44-45,47-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-,46-43-/t55-/m0/s1",RWGGWDFPWJVBSX,GJQPCRHFSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",RWGGWDFPWJVBSX-GJQPCRHFSA-N
HMDB43622,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,45,48,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40-44,46-47,49-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,48-45-/t57-/m0/s1",JLQJKIHIHICSRA,KFEYCNIBSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",JLQJKIHIHICSRA-KFEYCNIBSA-N
HMDB43623,912.720690811,C60H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-/t57-/m0/s1",WPYYZSNYCOTFKJ,OHNFRNEFSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WPYYZSNYCOTFKJ-OHNFRNEFSA-N
HMDB43624,940.75199094,C62H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,47,50,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-46,48-49,51-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,50-47-/t59-/m0/s1",GVXBNUHXXNKNHF,CUDSIQDZSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GVXBNUHXXNKNHF-CUDSIQDZSA-N
HMDB43625,938.736340876,C62H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,46-47,49-50,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-45,48,51-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-,50-47-/t59-/m0/s1",ULCPUHXPBWZORF,DTFHYMKRSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ULCPUHXPBWZORF-DTFHYMKRSA-N
HMDB43626,880.788376449,C58H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,43,46,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-,46-43-/t56-/m1/s1",HSCHIEBVQLRFTG,VWEAYBQVSA,N,"TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",HSCHIEBVQLRFTG-VWEAYBQVSA-N
HMDB43627,800.689390676,C51H92O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,48H,4-6,8-9,11-15,17-18,20-24,27-47H2,1-3H3/b10-7-,19-16-,26-25-",MVWYCNQOCKTDRZ,FJYSWILXSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/15:0)",MVWYCNQOCKTDRZ-FJYSWILXSA-N
HMDB43628,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,49H,4-6,8-9,11-15,17-18,20-24,27-48H2,1-3H3/b10-7-,19-16-,26-25-/t49-/m0/s1",KREUJDJEZHSQKD,NXCVPSNGSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/16:0)",KREUJDJEZHSQKD-NXCVPSNGSA-N
HMDB43629,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,51H,4-7,9-10,12-16,18-19,21-25,27,29-50H2,1-3H3/b11-8-,20-17-,28-26-/t51-/m0/s1",DCEIEGPNDFHINJ,VKXHGUFGSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/18:0)",DCEIEGPNDFHINJ-VKXHGUFGSA-N
HMDB43630,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,53H,4-7,9-10,12-16,18-19,21-25,27-28,30-52H2,1-3H3/b11-8-,20-17-,29-26-/t53-/m0/s1",AWTWWJICEHSIQB,MEPHXIHJSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/20:0)",AWTWWJICEHSIQB-MEPHXIHJSA-N
HMDB43631,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,55H,4-7,9-10,12-16,18-19,21-25,27-30,32-54H2,1-3H3/b11-8-,20-17-,31-26-/t55-/m0/s1",RFTLYHXOQWFSCO,UJKDMMPKSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/22:0)",RFTLYHXOQWFSCO-UJKDMMPKSA-N
HMDB43632,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-56H2,1-3H3/b11-8-,20-17-,33-26-/t57-/m0/s1",GGDXZWHTUURKMJ,YKMHXOHJSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/24:0)",GGDXZWHTUURKMJ-YKMHXOHJSA-N
HMDB43633,784.658090554,C50H88O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,47H,4-6,8-9,11-14,17,20-23,26-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-/t47-/m1/s1",WZTQKCCUYWEJRS,SUJLZCLMSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/14:1(9Z))",WZTQKCCUYWEJRS-SUJLZCLMSA-N
HMDB43634,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,49H,4-6,8-9,11-15,17-18,21-22,24,27-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-/t49-/m0/s1",CITRKZPUSWLQMT,DBMJIPBXSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/16:1(9Z))",CITRKZPUSWLQMT-DBMJIPBXSA-N
HMDB43635,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26,28,51H,4-7,9-10,12-16,18,21,23-25,27,29-50H2,1-3H3/b11-8-,20-17-,22-19-,28-26-/t51-/m0/s1",XFWXMBNECNYGJG,FTMSDEAXSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/18:1(11Z))",XFWXMBNECNYGJG-FTMSDEAXSA-N
HMDB43636,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,51H,4-7,9-10,12-16,18-19,21-24,29-50H2,1-3H3/b11-8-,20-17-,27-25-,28-26-/t51-/m0/s1",DNCURIBKJSOXQX,INDNORQMSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/18:1(9Z))",DNCURIBKJSOXQX-INDNORQMSA-N
HMDB43637,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,53H,4-7,9-10,12-16,18-19,21-24,28,30-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-/t53-/m0/s1",SSECMEVMCYXEDX,AOANHIBASA,N,"TG(15:0/18:3(9Z,12Z,15Z)/20:1(11Z))",SSECMEVMCYXEDX-AOANHIBASA-N
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HMDB43644,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,53H,4-7,9-10,12-15,18,21-24,28,32-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,31-30-/t53-/m0/s1",SXYZPDVKPZSYBB,IVSNEYFNSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/20:3n6)",SXYZPDVKPZSYBB-IVSNEYFNSA-N
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HMDB43648,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,33,36,42,45,55H,4-7,9-10,12-15,18,21-24,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,45-42-/t55-/m0/s1",OAUSGOFDCWKGOC,NGYJNSHCSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OAUSGOFDCWKGOC-NGYJNSHCSA-N
HMDB43649,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,51H,4-6,9,12-15,18,21-24,29-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-/t51-/m0/s1",VEZSOMDLXDLDTA,QBYMPYBWSA,N,"TG(15:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",VEZSOMDLXDLDTA-QBYMPYBWSA-N
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HMDB43685,826.70504074,C53H94O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,50H,4-6,8-9,11-15,17-18,20-24,27,30-49H2,1-3H3/b10-7-,19-16-,26-25-,29-28-",LPMRUEJFJIAZTA,LMUWJNQJSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/15:0)",LPMRUEJFJIAZTA-LMUWJNQJSA-N
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HMDB43688,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,55H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-54H2,1-3H3/b11-8-,20-17-,28-26-,34-32-/t55-/m0/s1",KEFNWJKPJBZOJN,MKYMQNDHSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:0)",KEFNWJKPJBZOJN-MKYMQNDHSA-N
HMDB43689,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,36,57H,4-7,9-10,12-16,18-19,21-25,27,29-33,35,37-56H2,1-3H3/b11-8-,20-17-,28-26-,36-34-/t57-/m0/s1",HXXSYQOFEKYBNA,WMSSYBOQSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:0)",HXXSYQOFEKYBNA-WMSSYBOQSA-N
HMDB43690,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,36,38,59H,4-7,9-10,12-16,18-19,21-25,27,29-35,37,39-58H2,1-3H3/b11-8-,20-17-,28-26-,38-36-/t59-/m0/s1",DDIKHLHTZHCYNT,LYGQPREJSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/24:0)",DDIKHLHTZHCYNT-LYGQPREJSA-N
HMDB43691,810.673740618,C52H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,49H,4-6,8-9,11-14,17,20-23,26,29-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-/t49-/m1/s1",BOYVTSXJVXTXNE,IELMJFNYSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))",BOYVTSXJVXTXNE-IELMJFNYSA-N
HMDB43692,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,30,51H,4-6,8-9,11-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,30-28-/t51-/m0/s1",QSMBENBTJWQPBH,MOJABBSNSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))",QSMBENBTJWQPBH-MOJABBSNSA-N
HMDB43693,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,32,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31,33-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,32-30-/t53-/m0/s1",CYNAHBAGPSOQCA,BIMPWVGNSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",CYNAHBAGPSOQCA-BIMPWVGNSA-N
HMDB43694,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,32,53H,4-6,8-9,11-15,17-18,20-24,28,31,33-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,32-30-/t53-/m0/s1",KFIDGYALMMYDJE,FVUDNHSNSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",KFIDGYALMMYDJE-FVUDNHSNSA-N
HMDB43695,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,55H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-54H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-/t55-/m0/s1",YXXCVNRSQDKSHR,YZQFCDKBSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",YXXCVNRSQDKSHR-YZQFCDKBSA-N
HMDB43696,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,31-34,39,42,55H,4-7,9-10,12-16,18-19,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-/t55-/m0/s1",JYUCWSBASHDPNK,RCNFGDSNSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",JYUCWSBASHDPNK-RCNFGDSNSA-N
HMDB43697,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34,36,57H,4-7,9-10,12-16,18-19,21-24,29-33,35,37-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-34-/t57-/m0/s1",HQGGVJLEICOSOA,WXUHTRFRSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))",HQGGVJLEICOSOA-WXUHTRFRSA-N
HMDB43698,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,36,38,59H,4-7,9-10,12-16,18-19,21-24,29-35,37,39-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-36-/t59-/m0/s1",WRXRADGFCQIVLC,LTYZZGQOSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))",WRXRADGFCQIVLC-LTYZZGQOSA-N
HMDB43699,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,53H,4-6,8-9,11-15,18,21-24,28,31,33-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-/t53-/m0/s1",LZRKPQLAZALYIQ,MMRFHJBISA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",LZRKPQLAZALYIQ-MMRFHJBISA-N
HMDB43700,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,34,37,53H,4-6,8-9,11-15,18,21-24,28,31,33,35-36,38-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-/t53-/m0/s1",GTTGPZDETOXGAF,AQIBRLHBSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",GTTGPZDETOXGAF-AQIBRLHBSA-N
HMDB43701,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,34,55H,4-7,9-10,12-15,18,21-24,29-31,33,35-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-32-/t55-/m0/s1",AUYZLNFJINIOGJ,XRQHDPIISA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)",AUYZLNFJINIOGJ-XRQHDPIISA-N
HMDB43702,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,55H,4-7,9-10,12-15,18,21-24,29-30,35-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-/t55-/m0/s1",JCEGXZRKMIHXIV,KYOSNAEZSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)",JCEGXZRKMIHXIV-KYOSNAEZSA-N
HMDB43703,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,39,42,55H,4-7,9-10,12-15,18,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-/t55-/m0/s1",XCYKEPYZJOBQAY,NXBAPLQPSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",XCYKEPYZJOBQAY-NXBAPLQPSA-N
HMDB43704,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,34,36,57H,4-7,9-10,12-15,18,21-24,29-33,35,37-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-34-/t57-/m0/s1",OTUYWLCDLGLHJW,DOCOUQNBSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",OTUYWLCDLGLHJW-DOCOUQNBSA-N
HMDB43705,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34-36,38,57H,4-7,9-10,12-15,18,21-24,29,31,33,37,39-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-/t57-/m0/s1",JZNVUTLODLPGLD,OWENZFEQSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",JZNVUTLODLPGLD-OWENZFEQSA-N
HMDB43706,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34-36,38,44,47,57H,4-7,9-10,12-15,18,21-24,29,31,33,37,39-43,45-46,48-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,47-44-/t57-/m0/s1",COHKXBSCSKHZAI,NHUYDAFMSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",COHKXBSCSKHZAI-NHUYDAFMSA-N
HMDB43707,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,53H,4-6,9,12-15,18,21-24,28,31,33-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-/t53-/m0/s1",JPKFYKMPANYTHJ,DPQNJHIOSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",JPKFYKMPANYTHJ-DPQNJHIOSA-N
HMDB43708,860.689390682,C56H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,34,37,53H,4-6,9,12-15,18,21-24,28,31,33,35-36,38-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-/t53-/m0/s1",BWNJVNXQMYZEJP,KJOYLGRQSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",BWNJVNXQMYZEJP-KJOYLGRQSA-N
HMDB43709,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,55H,4-6,9,12-15,18,21-24,29-30,35-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-/t55-/m0/s1",CJEMGBSEWMBNOA,JXTVRUGLSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",CJEMGBSEWMBNOA-JXTVRUGLSA-N
HMDB43710,886.705040747,C58H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,39,42,55H,4-6,9,12-15,18,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-/t55-/m0/s1",CRHQNGLILBZGOE,KUOZCLPMSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CRHQNGLILBZGOE-KUOZCLPMSA-N
HMDB43711,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34-36,38,57H,4-6,9,12-15,18,21-24,29,31,33,37,39-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-/t57-/m0/s1",RTKYEKRYHQDOGL,LRJBIZEWSA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RTKYEKRYHQDOGL-LRJBIZEWSA-N
HMDB43712,912.720690811,C60H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34-36,38,44,47,57H,4-6,9,12-15,18,21-24,29,31,33,37,39-43,45-46,48-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,47-44-/t57-/m0/s1",KDSPIMVAAGVKSS,UTRISVEESA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KDSPIMVAAGVKSS-UTRISVEESA-N
HMDB43713,854.772726384,C56H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-/t54-/m1/s1",NLQTWATZBYOJSQ,JGONCANASA,N,"TG(15:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)",NLQTWATZBYOJSQ-JGONCANASA-N
HMDB43714,824.689390676,C53H92O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,35,38,50H,4-6,8-9,11-15,17-18,20-24,27,30-34,36-37,39-49H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,38-35-",OOMXHGFKCATASD,SOHCWEGMSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/15:0)",OOMXHGFKCATASD-SOHCWEGMSA-N
HMDB43715,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,36,39,51H,4-6,8-9,11-15,17-18,20-24,27,29,31-35,37-38,40-50H2,1-3H3/b10-7-,19-16-,26-25-,30-28-,39-36-/t51-/m0/s1",ZVCNHDAJMAOAHV,XJVPCVJCSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:0)",ZVCNHDAJMAOAHV-XJVPCVJCSA-N
HMDB43716,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,38,41,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,41-38-/t53-/m0/s1",VJHOSWNDCMVTMO,RTGLKXJDSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)",VJHOSWNDCMVTMO-RTGLKXJDSA-N
HMDB43717,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,40,43,55H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-39,41-42,44-54H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,43-40-/t55-/m0/s1",ICEXVEAATLVMKT,LLWCXVNMSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)",ICEXVEAATLVMKT-LLWCXVNMSA-N
HMDB43718,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,36,42,45,57H,4-7,9-10,12-16,18-19,21-25,27,29-33,35,37-41,43-44,46-56H2,1-3H3/b11-8-,20-17-,28-26-,36-34-,45-42-/t57-/m0/s1",ABWRGYJPQDSYGX,IFSXKKQFSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)",ABWRGYJPQDSYGX-IFSXKKQFSA-N
HMDB43719,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,36,38,44,47,59H,4-7,9-10,12-16,18-19,21-25,27,29-35,37,39-43,45-46,48-58H2,1-3H3/b11-8-,20-17-,28-26-,38-36-,47-44-/t59-/m0/s1",ZKHNPULRBMJJEP,ZNNZNIOKSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)",ZKHNPULRBMJJEP-ZNNZNIOKSA-N
HMDB43720,808.658090554,C52H88O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C52H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,34,37,49H,4-6,8-9,11-14,17,20-23,26,29-33,35-36,38-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,37-34-/t49-/m1/s1",IBJUYPWWJJUTPB,XAVAHWQDSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))",IBJUYPWWJJUTPB-XAVAHWQDSA-N
HMDB43721,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,30,36,39,51H,4-6,8-9,11-15,17-18,21-22,24,27,29,31-35,37-38,40-50H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,30-28-,39-36-/t51-/m0/s1",PAVZJWSZUNVHGK,KLWBHBMBSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))",PAVZJWSZUNVHGK-KLWBHBMBSA-N
HMDB43722,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,32,38,41,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,32-30-,41-38-/t53-/m0/s1",IXCXSNXVLFQWLL,PFBQYPPTSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))",IXCXSNXVLFQWLL-PFBQYPPTSA-N
HMDB43723,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,32,38,41,53H,4-6,8-9,11-15,17-18,20-24,28,31,33-37,39-40,42-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,32-30-,41-38-/t53-/m0/s1",KVUGGDDPIIADRM,OTVAVPKASA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",KVUGGDDPIIADRM-OTVAVPKASA-N
HMDB43724,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,40,43,55H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-39,41-42,44-54H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-,43-40-/t55-/m0/s1",UZTFQQHBBNUTAN,YUXZUEGTSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",UZTFQQHBBNUTAN-YUXZUEGTSA-N
HMDB43725,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,31-34,39-40,42-43,55H,4-7,9-10,12-16,18-19,21-24,29-30,35-38,41,44-54H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-/t55-/m0/s1",QQGCOMWAKCMQGX,HMNUFXLLSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",QQGCOMWAKCMQGX-HMNUFXLLSA-N
HMDB43726,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34,36,42,45,57H,4-7,9-10,12-16,18-19,21-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-34-,45-42-/t57-/m0/s1",BBYNELOLAOBLQM,SUTRHXLMSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",BBYNELOLAOBLQM-SUTRHXLMSA-N
HMDB43727,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,36,38,44,47,59H,4-7,9-10,12-16,18-19,21-24,29-35,37,39-43,45-46,48-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-36-,47-44-/t59-/m0/s1",OTRDFRMBEYEFLN,BEFOOZGNSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",OTRDFRMBEYEFLN-BEFOOZGNSA-N
HMDB43728,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,38,41,53H,4-6,8-9,11-15,18,21-24,28,31,33-37,39-40,42-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,41-38-/t53-/m0/s1",RNPHVOCUNSPJSW,BYMCNDSWSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",RNPHVOCUNSPJSW-BYMCNDSWSA-N
HMDB43729,860.689390682,C56H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,34,37-38,41,53H,4-6,8-9,11-15,18,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-,41-38-/t53-/m0/s1",SGBZNYWOIKFCOC,LKFJHGTRSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",SGBZNYWOIKFCOC-LKFJHGTRSA-N
HMDB43730,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,34,40,43,55H,4-7,9-10,12-15,18,21-24,29-31,33,35-39,41-42,44-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,43-40-/t55-/m0/s1",CIGPYCCXVSXIDE,HFBIHYQASA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",CIGPYCCXVSXIDE-HFBIHYQASA-N
HMDB43731,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,40,43,55H,4-7,9-10,12-15,18,21-24,29-30,35-39,41-42,44-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,43-40-/t55-/m0/s1",WWSWEICYMXWRHX,WZXYDYARSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",WWSWEICYMXWRHX-WZXYDYARSA-N
HMDB43732,886.705040747,C58H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,39-40,42-43,55H,4-7,9-10,12-15,18,21-24,29-30,35-38,41,44-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-/t55-/m0/s1",DYGZPQJXEAXYOM,DNVHTKFYSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",DYGZPQJXEAXYOM-DNVHTKFYSA-N
HMDB43733,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,34,36,42,45,57H,4-7,9-10,12-15,18,21-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-34-,45-42-/t57-/m0/s1",DKSXZIAWNFMVCG,VOUWTXQQSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",DKSXZIAWNFMVCG-VOUWTXQQSA-N
HMDB43734,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34-36,38,42,45,57H,4-7,9-10,12-15,18,21-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-/t57-/m0/s1",FCNLLNPOKDHJIF,AVTNAVIWSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",FCNLLNPOKDHJIF-AVTNAVIWSA-N
HMDB43735,912.720690811,C60H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34-36,38,42,44-45,47,57H,4-7,9-10,12-15,18,21-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-/t57-/m0/s1",SDPBCHXSXHPIOR,URHROMJWSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SDPBCHXSXHPIOR-URHROMJWSA-N
HMDB43736,860.689390682,C56H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,38,41,53H,4-6,9,12-15,18,21-24,28,31,33-37,39-40,42-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,41-38-/t53-/m0/s1",ZZPQUXSXKCUXCL,LADDZILESA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",ZZPQUXSXKCUXCL-LADDZILESA-N
HMDB43737,858.673740618,C56H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H90O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,34,37-38,41,53H,4-6,9,12-15,18,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-,41-38-/t53-/m0/s1",SEWDDVGUDZHDEC,KMUYMYJBSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",SEWDDVGUDZHDEC-KMUYMYJBSA-N
HMDB43738,886.705040747,C58H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,40,43,55H,4-6,9,12-15,18,21-24,29-30,35-39,41-42,44-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,43-40-/t55-/m0/s1",KCXBJZIITXNTDT,XRIKDTNKSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",KCXBJZIITXNTDT-XRIKDTNKSA-N
HMDB43739,884.689390682,C58H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,39-40,42-43,55H,4-6,9,12-15,18,21-24,29-30,35-38,41,44-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-/t55-/m0/s1",VPVKRZPIIIAROB,IFGDDDRZSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VPVKRZPIIIAROB-IFGDDDRZSA-N
HMDB43740,912.720690811,C60H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34-36,38,42,45,57H,4-6,9,12-15,18,21-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-/t57-/m0/s1",OXTOMNSCYFELCS,CWLYJUIJSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OXTOMNSCYFELCS-CWLYJUIJSA-N
HMDB43741,910.705040747,C60H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H94O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34-36,38,42,44-45,47,57H,4-6,9,12-15,18,21-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-/t57-/m0/s1",RGCBRGNUDYCQMJ,FWRBCQIISA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RGCBRGNUDYCQMJ-FWRBCQIISA-N
HMDB43742,852.75707632,C56H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H100O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,38,41,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,41-38-/t54-/m1/s1",HSHGZPNEIPSFSG,YWSSWCCTSA,N,"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)",HSHGZPNEIPSFSG-YWSSWCCTSA-N
HMDB43743,852.720690804,C55H96O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,31,34,52H,4-6,8-9,11-15,17-18,20-24,27,30,32-33,35-51H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-31-",CYCUFSFDDJJTHB,WRNPFNQTSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/15:0)",CYCUFSFDDJJTHB-WRNPFNQTSA-N
HMDB43744,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-32-/t53-/m0/s1",RQJAVDKGDQJCKR,HRNHJLCSSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",RQJAVDKGDQJCKR-HRNHJLCSSA-N
HMDB43745,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-/t55-/m0/s1",CFBWOZULXSZBDP,YPSBCCQNSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",CFBWOZULXSZBDP-YPSBCCQNSA-N
HMDB43746,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-/t57-/m0/s1",HYSQJCDFTFBCTR,IKHWXZOCSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)",HYSQJCDFTFBCTR-IKHWXZOCSA-N
HMDB43747,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,38,41,59H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-37,39-40,42-58H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,41-38-/t59-/m0/s1",ZNSLTIYWZVKGPS,BDMUGOPVSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)",ZNSLTIYWZVKGPS-BDMUGOPVSA-N
HMDB43748,978.861541391,C64H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,40,43,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-39,41-42,44-60H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,43-40-/t61-/m0/s1",ONQGGJOOUHVRLK,YRNHWUEBSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)",ONQGGJOOUHVRLK-YRNHWUEBSA-N
HMDB43749,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-/t51-/m1/s1",VEHCYRMLLCHRPE,QXRCRFSHSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",VEHCYRMLLCHRPE-QXRCRFSHSA-N
HMDB43750,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,35,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33-34,36-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-32-/t53-/m0/s1",SFXOGZVJQMHKIP,GDFIQQEYSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",SFXOGZVJQMHKIP-GDFIQQEYSA-N
HMDB43751,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,34,37,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-34-/t55-/m0/s1",CFADRXDPAZQWHJ,NHXSONEDSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",CFADRXDPAZQWHJ-NHXSONEDSA-N
HMDB43752,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,34,37,55H,4-6,8-9,11-15,17-18,20-24,28,32-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1",OFBPBYJHCXTYRY,YCAFOTJOSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",OFBPBYJHCXTYRY-YCAFOTJOSA-N
HMDB43753,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,57H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-/t57-/m0/s1",QPKVOIIVKPUINR,OOEARSIFSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",QPKVOIIVKPUINR-OOEARSIFSA-N
HMDB43754,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,35-36,39,41,44,57H,4-6,8-9,11-15,17-18,20-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-/t57-/m0/s1",ALKHRCNJLIULIP,BNFVNIRISA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",ALKHRCNJLIULIP-BNFVNIRISA-N
HMDB43755,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,38,41,59H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-37,39-40,42-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-,41-38-/t59-/m0/s1",YFFYQQQRNQKFFF,SAUYKYLBSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",YFFYQQQRNQKFFF-SAUYKYLBSA-N
HMDB43756,976.845891326,C64H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,40,43,61H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-39,41-42,44-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-,43-40-/t61-/m0/s1",AAGIXMREDGMXGU,ASISNPDYSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",AAGIXMREDGMXGU-ASISNPDYSA-N
HMDB43757,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,37,55H,4-6,8-9,11-15,18,21-24,28,32-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1",DWLMZNPRKUXJPB,KJIBFNLWSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",DWLMZNPRKUXJPB-KJIBFNLWSA-N
HMDB43758,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,36-37,39,55H,4-6,8-9,11-15,18,21-24,28,32-33,35,38,40-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-/t55-/m0/s1",VGLGKHVLOHBYKW,QAVHSPRASA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",VGLGKHVLOHBYKW-QAVHSPRASA-N
HMDB43759,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,36,39,57H,4-6,8-9,11-15,18,21-24,29,31,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,39-36-/t57-/m0/s1",ZFLFEWWZHYMFAJ,PTTPEOKTSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",ZFLFEWWZHYMFAJ-PTTPEOKTSA-N
HMDB43760,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-/t57-/m0/s1",KOELDYRWAXCOAM,RKKILNSPSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",KOELDYRWAXCOAM-RKKILNSPSA-N
HMDB43761,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,41,44,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-/t57-/m0/s1",HPIGYQSTLVYLFL,HPSHMESTSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",HPIGYQSTLVYLFL-HPSHMESTSA-N
HMDB43762,946.798941133,C62H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,34,38,41,59H,4-7,9-10,12-15,18,21-24,29-31,33,35-37,39-40,42-58H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,41-38-/t59-/m0/s1",LRPVZNTXEMBKNF,ZIYANQEDSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",LRPVZNTXEMBKNF-ZIYANQEDSA-N
HMDB43763,942.767641004,C62H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,37-38,40-41,59H,4-7,9-10,12-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-/t59-/m0/s1",UPNVZDMJAXJHIP,DNCFVREOSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",UPNVZDMJAXJHIP-DNCFVREOSA-N
HMDB43764,940.75199094,C62H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,37-38,40-41,46,49,59H,4-7,9-10,12-15,18,21-24,29-30,35-36,39,42-45,47-48,50-58H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-/t59-/m0/s1",SQEONKZCAYWRRO,JNLJOGLOSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SQEONKZCAYWRRO-JNLJOGLOSA-N
HMDB43765,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37,55H,4-6,9,12-15,18,21-24,28,32-33,35-36,38-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1",DGSGTTHBXFCGCY,ZPGJPSJZSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",DGSGTTHBXFCGCY-ZPGJPSJZSA-N
HMDB43766,886.705040747,C58H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,36-37,39,55H,4-6,9,12-15,18,21-24,28,32-33,35,38,40-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-/t55-/m0/s1",LBBHQUQCIFHBID,BPKXDVHDSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",LBBHQUQCIFHBID-BPKXDVHDSA-N
HMDB43767,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,35-36,39,57H,4-6,9,12-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-/t57-/m0/s1",NNJLGXONXWPJQG,QDRTUXRASA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",NNJLGXONXWPJQG-QDRTUXRASA-N
HMDB43768,912.720690811,C60H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,35-36,39,41,44,57H,4-6,9,12-15,18,21-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-/t57-/m0/s1",YAYNYTZNIYNZPI,NWEBXFJPSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YAYNYTZNIYNZPI-NWEBXFJPSA-N
HMDB43769,940.75199094,C62H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,40-41,59H,4-6,9,12-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-/t59-/m0/s1",MWAONJXLRHDZSC,DPHMUWKZSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MWAONJXLRHDZSC-DPHMUWKZSA-N
HMDB43770,938.736340876,C62H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,40-41,46,49,59H,4-6,9,12-15,18,21-24,29-30,35-36,39,42-45,47-48,50-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-/t59-/m0/s1",KVCAKIAKSWDVGG,UAPFTYMZSA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KVCAKIAKSWDVGG-UAPFTYMZSA-N
HMDB43771,880.788376449,C58H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,34,37,56H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-34-/t56-/m1/s1",BAPGDEKGUTVBNW,RQPHPBNASA,N,"TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",BAPGDEKGUTVBNW-RQPHPBNASA-N
HMDB43772,850.70504074,C55H94O6,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,31,34,40,43,52H,4-6,8-9,11-15,17-18,20-24,27,30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-31-,43-40-",FTQKGLXJHYOGOH,RPUODKARSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)",FTQKGLXJHYOGOH-RPUODKARSA-N
HMDB43773,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,41,44,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-32-,44-41-/t53-/m0/s1",CDWOMOYIKQBJEX,ZFHPHJIASA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",CDWOMOYIKQBJEX-ZFHPHJIASA-N
HMDB43774,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,43,46,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-,46-43-/t55-/m0/s1",KYSKDXQQCFAYJB,MYEHQPJESA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",KYSKDXQQCFAYJB-MYEHQPJESA-N
HMDB43775,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,45,48,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-,48-45-/t57-/m0/s1",HLFGJTAHTUAILD,XYZMZDPJSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)",HLFGJTAHTUAILD-XYZMZDPJSA-N
HMDB43776,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,38,41,47,50,59H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,41-38-,50-47-/t59-/m0/s1",XWPBJDNJFYJXPR,LHLHTKRRSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)",XWPBJDNJFYJXPR-LHLHTKRRSA-N
HMDB43777,976.845891326,C64H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,40,43,49,52,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-39,41-42,44-48,50-51,53-60H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,43-40-,52-49-/t61-/m0/s1",FEXJVWZYKVSYBR,MPIOYULQSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)",FEXJVWZYKVSYBR-MPIOYULQSA-N
HMDB43778,834.673740618,C54H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,39,42,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-38,40-41,43-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-,42-39-/t51-/m1/s1",YWDABGMKPDSFGP,LGXFHPCASA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",YWDABGMKPDSFGP-LGXFHPCASA-N
HMDB43779,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,35,41,44,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33-34,36-40,42-43,45-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-32-,44-41-/t53-/m0/s1",YZYRYODSFQKPJR,KVIGGDJISA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",YZYRYODSFQKPJR-KVIGGDJISA-N
HMDB43780,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,34,37,43,46,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-34-,46-43-/t55-/m0/s1",KPMCVCLSMZWGPX,DAUQEMHASA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",KPMCVCLSMZWGPX-DAUQEMHASA-N
HMDB43781,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,34,37,43,46,55H,4-6,8-9,11-15,17-18,20-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-34-,46-43-/t55-/m0/s1",DTIXMUSHNPVGCK,DSHYHYSMSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",DTIXMUSHNPVGCK-DSHYHYSMSA-N
HMDB43782,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,45,48,57H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-,48-45-/t57-/m0/s1",XDJSMTTTYWCZQO,JEZXCPCLSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",XDJSMTTTYWCZQO-JEZXCPCLSA-N
HMDB43783,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-6,8-9,11-15,17-18,20-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-/t57-/m0/s1",OGCOOPIJCRVCFG,YWJNJSTHSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",OGCOOPIJCRVCFG-YWJNJSTHSA-N
HMDB43784,946.798941133,C62H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,38,41,47,50,59H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-,41-38-,50-47-/t59-/m0/s1",QHXPZVGQHDWEOO,PNXYMPIKSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",QHXPZVGQHDWEOO-PNXYMPIKSA-N
HMDB43785,974.830241262,C64H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,40,43,49,52,61H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-39,41-42,44-48,50-51,53-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-,43-40-,52-49-/t61-/m0/s1",ICSRSLYRPMVEOV,IQZUOOBISA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",ICSRSLYRPMVEOV-IQZUOOBISA-N
HMDB43786,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,37,43,46,55H,4-6,8-9,11-15,18,21-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-/t55-/m0/s1",VYCHJWCSQAUKAI,NCOZDHJASA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",VYCHJWCSQAUKAI-NCOZDHJASA-N
HMDB43787,886.705040747,C58H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,36-37,39,43,46,55H,4-6,8-9,11-15,18,21-24,28,32-33,35,38,40-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-,46-43-/t55-/m0/s1",QYWCKOPERVTCSZ,LLROTIAGSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",QYWCKOPERVTCSZ-LLROTIAGSA-N
HMDB43788,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,36,39,45,48,57H,4-6,8-9,11-15,18,21-24,29,31,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,39-36-,48-45-/t57-/m0/s1",CJWSLXUTZJOQNF,LWJNQEIKSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",CJWSLXUTZJOQNF-LWJNQEIKSA-N
HMDB43789,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,45,48,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,48-45-/t57-/m0/s1",LYALAHBREUAALL,VTMDFQMRSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",LYALAHBREUAALL-VTMDFQMRSA-N
HMDB43790,912.720690811,C60H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-/t57-/m0/s1",ZUSPEOXTOCJJTI,OCGDZBBQSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",ZUSPEOXTOCJJTI-OCGDZBBQSA-N
HMDB43791,944.783291069,C62H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,34,38,41,47,50,59H,4-7,9-10,12-15,18,21-24,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,41-38-,50-47-/t59-/m0/s1",ISLKOXIXWUPRAK,ISZAQJGNSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",ISLKOXIXWUPRAK-ISZAQJGNSA-N
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HMDB43793,938.736340876,C62H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,37-38,40-41,46-47,49-50,59H,4-7,9-10,12-15,18,21-24,29-30,35-36,39,42-45,48,51-58H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-,50-47-/t59-/m0/s1",BGUPTHKFJFFDGT,SXLWWZDTSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BGUPTHKFJFFDGT-SXLWWZDTSA-N
HMDB43794,886.705040747,C58H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37,43,46,55H,4-6,9,12-15,18,21-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-/t55-/m0/s1",QOCVGVXRSCEPML,VMNSZIBESA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",QOCVGVXRSCEPML-VMNSZIBESA-N
HMDB43795,884.689390682,C58H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,36-37,39,43,46,55H,4-6,9,12-15,18,21-24,28,32-33,35,38,40-42,44-45,47-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-,46-43-/t55-/m0/s1",LMDAJBGGWFESDX,NLDPTHGSSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",LMDAJBGGWFESDX-NLDPTHGSSA-N
HMDB43796,912.720690811,C60H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,35-36,39,45,48,57H,4-6,9,12-15,18,21-24,29,31,34,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,48-45-/t57-/m0/s1",XLVWQFRKBVXISK,YRIAXRGPSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",XLVWQFRKBVXISK-YRIAXRGPSA-N
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HMDB43799,936.720690811,C62H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,40-41,46-47,49-50,59H,4-6,9,12-15,18,21-24,29-30,35-36,39,42-45,48,51-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-,50-47-/t59-/m0/s1",XAYIZQCSPHRCKT,LWAKEBRISA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XAYIZQCSPHRCKT-LWAKEBRISA-N
HMDB43800,878.772726384,C58H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C58H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-34-,46-43-/t56-/m1/s1",MKZHJFJMNORQHJ,DNORJDIWSA,N,"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",MKZHJFJMNORQHJ-DNORJDIWSA-N
HMDB43801,792.75707631,C51H100O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2)48-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3/h49H,4-48H2,1-3H3",HRTAOZVKLLODHN,UHFFFAOYSA,N,TG(15:0/o-18:0/15:0),HRTAOZVKLLODHN-UHFFFAOYSA-N
HMDB43802,806.772726384,C52H102O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C52H102O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-50(48-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)49-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m0/s1",ZMHGCGBYQJJQQE,DPDRHGIRSA,N,TG(15:0/o-18:0/16:0),ZMHGCGBYQJJQQE-DPDRHGIRSA-N
HMDB43803,834.804026513,C54H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H106O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",HLRMBFLRYARUBS,MPLRIKRWSA,N,TG(15:0/o-18:0/18:0),HLRMBFLRYARUBS-MPLRIKRWSA-N
HMDB43804,862.835326642,C56H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",MAUVSNUFFVDZNS,XSMLMOGHSA,N,TG(15:0/o-18:0/20:0),MAUVSNUFFVDZNS-XSMLMOGHSA-N
HMDB43805,890.866626771,C58H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",XMJCGNMQBRRACU,UWGNJQTFSA,N,TG(15:0/o-18:0/22:0),XMJCGNMQBRRACU-UWGNJQTFSA-N
HMDB43806,918.8979269,C60H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-42-45-48-51-54-60(62)65-57-58(56-64-59(61)53-50-47-44-41-38-24-21-18-15-12-9-6-3)63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",IIMKDTSZPJUEJP,XKJQNMSGSA,N,TG(15:0/o-18:0/24:0),IIMKDTSZPJUEJP-XKJQNMSGSA-N
HMDB43807,776.725776191,C50H96O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C50H96O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-48(46-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)47-55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-/t48-/m1/s1",OLSSXNRRHDUTHQ,WGIOATGOSA,N,TG(15:0/o-18:0/14:1(9Z)),OLSSXNRRHDUTHQ-WGIOATGOSA-N
HMDB43808,804.75707632,C52H100O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C52H100O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-50(48-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)49-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-/t50-/m0/s1",PLPDNOFCRNILIP,YVMYVILJSA,N,TG(15:0/o-18:0/16:1(9Z)),PLPDNOFCRNILIP-YVMYVILJSA-N
HMDB43809,832.788376449,C54H104O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-/t52-/m0/s1",CFLWVBPNVGMIAU,JDFQBTJKSA,N,TG(15:0/o-18:0/18:1(11Z)),CFLWVBPNVGMIAU-JDFQBTJKSA-N
HMDB43810,832.788376449,C54H104O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-/t52-/m0/s1",REVTZIGEZSBYTI,INSBXERHSA,N,TG(15:0/o-18:0/18:1(9Z)),REVTZIGEZSBYTI-INSBXERHSA-N
HMDB43811,860.819676578,C56H108O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-/t54-/m0/s1",IXCDWUOLWZCDOT,SEDDCBKKSA,N,TG(15:0/o-18:0/20:1(11Z)),IXCDWUOLWZCDOT-SEDDCBKKSA-N
HMDB43812,856.788376449,C56H104O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,32,38,41,54H,4-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b27-25-,32-30-,41-38-/t54-/m0/s1",AKBDOUIDLIXAPH,LZWIKYMTSA,N,"TG(15:0/o-18:0/20:3(5Z,8Z,11Z))",AKBDOUIDLIXAPH-LZWIKYMTSA-N
HMDB43813,888.850976706,C58H112O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m0/s1",KYOLLWJIHHFROW,WOGGMIHASA,N,TG(15:0/o-18:0/22:1(13Z)),KYOLLWJIHHFROW-WOGGMIHASA-N
HMDB43814,916.882276835,C60H116O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-42-45-48-51-54-60(62)65-57-58(56-64-59(61)53-50-47-44-41-38-24-21-18-15-12-9-6-3)63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m0/s1",VPNHVEJCHXYNGU,YLFQOLFFSA,N,TG(15:0/o-18:0/24:1(15Z)),VPNHVEJCHXYNGU-YLFQOLFFSA-N
HMDB43815,830.772726384,C54H102O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H102O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,52H,4-16,18-19,21-25,27,29-51H2,1-3H3/b20-17-,28-26-/t52-/m0/s1",WWTOZVKHNWRFKL,BEGHFLLBSA,N,"TG(15:0/o-18:0/18:2(9Z,12Z))",WWTOZVKHNWRFKL-BEGHFLLBSA-N
HMDB43816,828.75707632,C54H100O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,52H,4-16,18-19,21-25,27,29-32,34-35,37-51H2,1-3H3/b20-17-,28-26-,36-33-/t52-/m0/s1",POAVLZRSJOCQEL,MNYDZQCVSA,N,"TG(15:0/o-18:0/18:3(6Z,9Z,12Z))",POAVLZRSJOCQEL-MNYDZQCVSA-N
HMDB43817,858.804026513,C56H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,54H,4-15,17-18,20-24,26,28-53H2,1-3H3/b19-16-,27-25-/t54-/m0/s1",RENWRKGFKLBHCY,LFLBGDHZSA,N,TG(15:0/o-18:0/20:2n6),RENWRKGFKLBHCY-LFLBGDHZSA-N
HMDB43818,856.788376449,C56H104O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,54H,4-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b19-16-,27-25-,32-30-/t54-/m0/s1",BKJCAIPLCWRQLC,OSWQCXTLSA,N,TG(15:0/o-18:0/20:3n6),BKJCAIPLCWRQLC-OSWQCXTLSA-N
HMDB43819,854.772726384,C56H102O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,38,41,54H,4-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,32-30-,41-38-/t54-/m0/s1",RNYCQRXHRFHVHH,WPQPACDXSA,N,"TG(15:0/o-18:0/20:4(5Z,8Z,11Z,14Z))",RNYCQRXHRFHVHH-WPQPACDXSA-N
HMDB43820,886.835326642,C58H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-/t56-/m0/s1",RZFGZSZUOPNJMR,AFBXCYEQSA,N,"TG(15:0/o-18:0/22:2(13Z,16Z))",RZFGZSZUOPNJMR-AFBXCYEQSA-N
HMDB43821,882.804026513,C58H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-/t56-/m0/s1",OHNOJBCXHSIKCO,CXFUULEXSA,N,"TG(15:0/o-18:0/22:4(7Z,10Z,13Z,16Z))",OHNOJBCXHSIKCO-CXFUULEXSA-N
HMDB43822,880.788376449,C58H104O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,43,46,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-,46-43-/t56-/m0/s1",IZZRAXDYXSIOLT,QEIFABEVSA,N,"TG(15:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",IZZRAXDYXSIOLT-QEIFABEVSA-N
HMDB43823,828.75707632,C54H100O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,52H,4-7,9-10,12-16,18-19,21-25,27,29-51H2,1-3H3/b11-8-,20-17-,28-26-/t52-/m0/s1",CABYGZXBJNUBCV,MRNHURRUSA,N,"TG(15:0/o-18:0/18:3(9Z,12Z,15Z))",CABYGZXBJNUBCV-MRNHURRUSA-N
HMDB43824,826.741426256,C54H98O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H98O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,52H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-51H2,1-3H3/b11-8-,20-17-,28-26-,36-33-/t52-/m0/s1",LFMSDWQCKVNZJS,BLQMRDPISA,N,"TG(15:0/o-18:0/18:4(6Z,9Z,12Z,15Z))",LFMSDWQCKVNZJS-BLQMRDPISA-N
HMDB43825,854.772726384,C56H102O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-/t54-/m0/s1",LFGDDMLFUFBBFD,MXMHWBLZSA,N,"TG(15:0/o-18:0/20:4(8Z,11Z,14Z,17Z))",LFGDDMLFUFBBFD-MXMHWBLZSA-N
HMDB43826,852.75707632,C56H100O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C56H100O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,38,41,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,41-38-/t54-/m0/s1",VYYCPZFELOUDSK,VPMAWHITSA,N,"TG(15:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",VYYCPZFELOUDSK-VPMAWHITSA-N
HMDB43827,880.788376449,C58H104O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,34,37,56H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-34-/t56-/m0/s1",IGUNBFKNDWFKJI,BFNLWGNUSA,N,"TG(15:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",IGUNBFKNDWFKJI-BFNLWGNUSA-N
HMDB43828,878.772726384,C58H102O5,[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-34-,46-43-/t56-/m0/s1",YYGWUUBOJGOPHF,ZYLISFBFSA,N,"TG(15:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YYGWUUBOJGOPHF-ZYLISFBFSA-N
HMDB43831,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m0/s1",PZHQFPGPPHNGEO,DPDRHGIRSA,N,TG(16:0/14:0/20:0),PZHQFPGPPHNGEO-DPDRHGIRSA-N
HMDB43832,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",ZQHKELRSPWSYMZ,MPLRIKRWSA,N,TG(16:0/14:0/22:0),ZQHKELRSPWSYMZ-MPLRIKRWSA-N
HMDB43833,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",HFECUBFQVXUKTQ,XSMLMOGHSA,N,TG(16:0/14:0/24:0),HFECUBFQVXUKTQ-XSMLMOGHSA-N
HMDB43834,748.658090554,C47H88O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-/t44-/m1/s1",ZLMFSPKUPXCIHA,HZMXKNRLSA,N,TG(16:0/14:0/14:1(9Z)),ZLMFSPKUPXCIHA-HZMXKNRLSA-N
HMDB43836,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h19,22,48H,4-18,20-21,23-47H2,1-3H3/b22-19-/t48-/m0/s1",TVYRIOFXPORHMG,DLOIZKPKSA,N,TG(16:0/14:0/18:1(11Z)),TVYRIOFXPORHMG-DLOIZKPKSA-N
HMDB43838,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h24-25,50H,4-23,26-49H2,1-3H3/b25-24-/t50-/m0/s1",KGKSTWKYHYAUPK,WTDFYVPFSA,N,TG(16:0/14:0/20:1(11Z)),KGKSTWKYHYAUPK-WTDFYVPFSA-N
HMDB43839,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h24-25,27,29,34,37,50H,4-23,26,28,30-33,35-36,38-49H2,1-3H3/b25-24-,29-27-,37-34-/t50-/m0/s1",DFYIZRJRVTVHGT,KXUPRZBASA,N,"TG(16:0/14:0/20:3(5Z,8Z,11Z))",DFYIZRJRVTVHGT-KXUPRZBASA-N
HMDB43840,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h24-25,52H,4-23,26-51H2,1-3H3/b25-24-/t52-/m0/s1",MNHVDMRMCVJDHK,HUNVKYDPSA,N,TG(16:0/14:0/22:1(13Z)),MNHVDMRMCVJDHK-HUNVKYDPSA-N
HMDB43841,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h24-25,54H,4-23,26-53H2,1-3H3/b25-24-/t54-/m0/s1",DVRLSVCQXWGXCP,KAESFFBXSA,N,TG(16:0/14:0/24:1(15Z)),DVRLSVCQXWGXCP-KAESFFBXSA-N
HMDB43843,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,24-25,30,32,48H,4-15,17-18,20-23,26-29,31,33-47H2,1-3H3/b19-16-,25-24-,32-30-/t48-/m0/s1",BOAHTLKAMQFLTQ,WQCZZMESSA,N,"TG(16:0/14:0/18:3(6Z,9Z,12Z))",BOAHTLKAMQFLTQ-WQCZZMESSA-N
HMDB43844,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h16,19,24-25,50H,4-15,17-18,20-23,26-49H2,1-3H3/b19-16-,25-24-/t50-/m0/s1",RYWCXYWZGUUHAZ,QHOVMSCMSA,N,TG(16:0/14:0/20:2n6),RYWCXYWZGUUHAZ-QHOVMSCMSA-N
HMDB43845,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h16,19,24-25,27,29,50H,4-15,17-18,20-23,26,28,30-49H2,1-3H3/b19-16-,25-24-,29-27-/t50-/m0/s1",MAXMXLZMAALGOS,KOTGQKDPSA,N,TG(16:0/14:0/20:3n6),MAXMXLZMAALGOS-KOTGQKDPSA-N
HMDB43846,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h16,19,24-25,27,29,34,37,50H,4-15,17-18,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b19-16-,25-24-,29-27-,37-34-/t50-/m0/s1",UDDPEWIQXPTDBN,SUNRTHERSA,N,"TG(16:0/14:0/20:4(5Z,8Z,11Z,14Z))",UDDPEWIQXPTDBN-SUNRTHERSA-N
HMDB43847,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,52H,4-15,17-18,20-23,26-51H2,1-3H3/b19-16-,25-24-/t52-/m0/s1",WKGUSXDKAOIBNP,JHSOZWSOSA,N,"TG(16:0/14:0/22:2(13Z,16Z))",WKGUSXDKAOIBNP-JHSOZWSOSA-N
HMDB43848,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,34,52H,4-15,17-18,20-23,26,29-30,32-33,35-51H2,1-3H3/b19-16-,25-24-,28-27-,34-31-/t52-/m0/s1",GKCXPSGVKZSTBL,VSCNWQQRSA,N,"TG(16:0/14:0/22:4(7Z,10Z,13Z,16Z))",GKCXPSGVKZSTBL-VSCNWQQRSA-N
HMDB43849,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,34,39,42,52H,4-15,17-18,20-23,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b19-16-,25-24-,28-27-,34-31-,42-39-/t52-/m0/s1",YLDIXESVFMDKJA,YOSTYZLGSA,N,"TG(16:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",YLDIXESVFMDKJA-YOSTYZLGSA-N
HMDB43850,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,48H,4-6,8-9,11-15,17-18,20-23,26-47H2,1-3H3/b10-7-,19-16-,25-24-/t48-/m0/s1",VHZOVYGKZVQUEA,UFMXUTEYSA,N,"TG(16:0/14:0/18:3(9Z,12Z,15Z))",VHZOVYGKZVQUEA-UFMXUTEYSA-N
HMDB43851,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,30,32,48H,4-6,8-9,11-15,17-18,20-23,26-29,31,33-47H2,1-3H3/b10-7-,19-16-,25-24-,32-30-/t48-/m0/s1",NQHJUMRUDPWTGZ,SUWUYPOLSA,N,"TG(16:0/14:0/18:4(6Z,9Z,12Z,15Z))",NQHJUMRUDPWTGZ-SUWUYPOLSA-N
HMDB43852,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-/t50-/m0/s1",ISYSPYKJELHQJC,DKKMQKRTSA,N,"TG(16:0/14:0/20:4(8Z,11Z,14Z,17Z))",ISYSPYKJELHQJC-DKKMQKRTSA-N
HMDB43853,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,34,37,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-,37-34-/t50-/m0/s1",IHXBVMCLYNNBJS,ROXMGXQMSA,N,"TG(16:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",IHXBVMCLYNNBJS-ROXMGXQMSA-N
HMDB43854,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,34,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32-33,35-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,34-31-/t52-/m0/s1",DHISSBAEVLDFEV,FVSUUZJRSA,N,"TG(16:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",DHISSBAEVLDFEV-FVSUUZJRSA-N
HMDB43855,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,34,39,42,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,34-31-,42-39-/t52-/m0/s1",QSNHEJTVPCETTQ,GSXZTAMKSA,N,"TG(16:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QSNHEJTVPCETTQ-GSXZTAMKSA-N
HMDB43856,792.75707632,C51H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-29-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m1/s1",JVIIFWBXHUBBES,ANFMRNGASA,N,TG(16:0/14:0/o-18:0),JVIIFWBXHUBBES-ANFMRNGASA-N
HMDB43857,792.720690804,C50H96O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-47(56-50(53)44-41-38-35-32-27-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3",WBWUYKOTLGYSRK,UHFFFAOYSA,N,TG(16:0/15:0/16:0),WBWUYKOTLGYSRK-UHFFFAOYSA-N
HMDB43858,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m0/s1",LQGJMWCFBGZUSO,GGCSAXROSA,N,TG(16:0/15:0/18:0),LQGJMWCFBGZUSO-GGCSAXROSA-N
HMDB43859,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m0/s1",LFURUBNQCYUZJX,XHIZWQFQSA,N,TG(16:0/15:0/20:0),LFURUBNQCYUZJX-XHIZWQFQSA-N
HMDB43860,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1",FLGHUNLGAQNPJS,DTSDQNDWSA,N,TG(16:0/15:0/22:0),FLGHUNLGAQNPJS-DTSDQNDWSA-N
HMDB43861,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m0/s1",YXDKOOSZYHYDRY,GNFJTHHVSA,N,TG(16:0/15:0/24:0),YXDKOOSZYHYDRY-GNFJTHHVSA-N
HMDB43862,762.673740618,C48H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C48H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18,45H,4-14,16-17,19-44H2,1-3H3/b18-15-/t45-/m1/s1",NTQPQFULNSCPDS,XOQIWRPXSA,N,TG(16:0/15:0/14:1(9Z)),NTQPQFULNSCPDS-XOQIWRPXSA-N
HMDB43863,790.705040747,C50H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-47(56-50(53)44-41-38-35-32-27-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-/t47-/m1/s1",PMHPAVPAGLAMOD,AHIIZLPLSA,N,TG(16:0/15:0/16:1(9Z)),PMHPAVPAGLAMOD-AHIIZLPLSA-N
HMDB43864,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h19,22,49H,4-18,20-21,23-48H2,1-3H3/b22-19-/t49-/m0/s1",SIEHETUJDZQTND,FMXLGRSFSA,N,TG(16:0/15:0/18:1(11Z)),SIEHETUJDZQTND-FMXLGRSFSA-N
HMDB43865,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h25-26,49H,4-24,27-48H2,1-3H3/b26-25-/t49-/m0/s1",FPGHOCZOUQFUCR,PVPKLLLRSA,N,TG(16:0/15:0/18:1(9Z)),FPGHOCZOUQFUCR-PVPKLLLRSA-N
HMDB43866,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h25-26,51H,4-24,27-50H2,1-3H3/b26-25-/t51-/m0/s1",OLBAIUGFGBJONF,HGUUATKKSA,N,TG(16:0/15:0/20:1(11Z)),OLBAIUGFGBJONF-HGUUATKKSA-N
HMDB43867,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h25-26,28,30,35,38,51H,4-24,27,29,31-34,36-37,39-50H2,1-3H3/b26-25-,30-28-,38-35-/t51-/m0/s1",VYWMIHTWENZSSH,ASYLUKSTSA,N,"TG(16:0/15:0/20:3(5Z,8Z,11Z))",VYWMIHTWENZSSH-ASYLUKSTSA-N
HMDB43868,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h25-26,53H,4-24,27-52H2,1-3H3/b26-25-/t53-/m0/s1",UESLVJQMLBDCKO,IAXCAJBNSA,N,TG(16:0/15:0/22:1(13Z)),UESLVJQMLBDCKO-IAXCAJBNSA-N
HMDB43869,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-23-20-17-14-11-8-5-2/h25-26,55H,4-24,27-54H2,1-3H3/b26-25-/t55-/m0/s1",YLTJWSGCMQKHMB,WNVKVJHASA,N,TG(16:0/15:0/24:1(15Z)),YLTJWSGCMQKHMB-WNVKVJHASA-N
HMDB43870,816.720690811,C52H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,49H,4-15,17-18,20-24,27-48H2,1-3H3/b19-16-,26-25-/t49-/m0/s1",FCVFBALFRMZQAK,ZDFZEWNHSA,N,"TG(16:0/15:0/18:2(9Z,12Z))",FCVFBALFRMZQAK-ZDFZEWNHSA-N
HMDB43871,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,31,33,49H,4-15,17-18,20-24,27-30,32,34-48H2,1-3H3/b19-16-,26-25-,33-31-/t49-/m0/s1",GPUYRRXFLIKAQP,IIFZCLPQSA,N,"TG(16:0/15:0/18:3(6Z,9Z,12Z))",GPUYRRXFLIKAQP-IIFZCLPQSA-N
HMDB43872,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,51H,4-15,17-18,20-24,27-50H2,1-3H3/b19-16-,26-25-/t51-/m0/s1",WCRDJTNDHORPSU,GYPIRRIZSA,N,TG(16:0/15:0/20:2n6),WCRDJTNDHORPSU-GYPIRRIZSA-N
HMDB43873,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,51H,4-15,17-18,20-24,27,29,31-50H2,1-3H3/b19-16-,26-25-,30-28-/t51-/m0/s1",HZWGBWWUMHOOAG,GGVKXYRHSA,N,TG(16:0/15:0/20:3n6),HZWGBWWUMHOOAG-GGVKXYRHSA-N
HMDB43874,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,35,38,51H,4-15,17-18,20-24,27,29,31-34,36-37,39-50H2,1-3H3/b19-16-,26-25-,30-28-,38-35-/t51-/m0/s1",RVEFQOYKDUFZST,IIKXJSSRSA,N,"TG(16:0/15:0/20:4(5Z,8Z,11Z,14Z))",RVEFQOYKDUFZST-IIKXJSSRSA-N
HMDB43875,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,53H,4-15,17-18,20-24,27-52H2,1-3H3/b19-16-,26-25-/t53-/m0/s1",AMOAVSJVVQFUKG,LCIPQWFZSA,N,"TG(16:0/15:0/22:2(13Z,16Z))",AMOAVSJVVQFUKG-LCIPQWFZSA-N
HMDB43876,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,53H,4-15,17-18,20-24,27,30-31,33-34,36-52H2,1-3H3/b19-16-,26-25-,29-28-,35-32-/t53-/m0/s1",WQMHPSIFWZFKMS,ASDWGYCASA,N,"TG(16:0/15:0/22:4(7Z,10Z,13Z,16Z))",WQMHPSIFWZFKMS-ASDWGYCASA-N
HMDB43877,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,40,43,53H,4-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-52H2,1-3H3/b19-16-,26-25-,29-28-,35-32-,43-40-/t53-/m0/s1",MRSKYJQVCMEFMN,MKRXGHMCSA,N,"TG(16:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",MRSKYJQVCMEFMN-MKRXGHMCSA-N
HMDB43878,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,49H,4-6,8-9,11-15,17-18,20-24,27-48H2,1-3H3/b10-7-,19-16-,26-25-/t49-/m0/s1",ZNDFAVQBPIMIPS,NXCVPSNGSA,N,"TG(16:0/15:0/18:3(9Z,12Z,15Z))",ZNDFAVQBPIMIPS-NXCVPSNGSA-N
HMDB43879,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,31,33,49H,4-6,8-9,11-15,17-18,20-24,27-30,32,34-48H2,1-3H3/b10-7-,19-16-,26-25-,33-31-/t49-/m0/s1",MTIRRZIQOPMLLQ,CQLMPLBXSA,N,"TG(16:0/15:0/18:4(6Z,9Z,12Z,15Z))",MTIRRZIQOPMLLQ-CQLMPLBXSA-N
HMDB43880,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,51H,4-6,8-9,11-15,17-18,20-24,27,29,31-50H2,1-3H3/b10-7-,19-16-,26-25-,30-28-/t51-/m0/s1",WESLQRIYDOAHTO,KXNCFOMHSA,N,"TG(16:0/15:0/20:4(8Z,11Z,14Z,17Z))",WESLQRIYDOAHTO-KXNCFOMHSA-N
HMDB43881,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,35,38,51H,4-6,8-9,11-15,17-18,20-24,27,29,31-34,36-37,39-50H2,1-3H3/b10-7-,19-16-,26-25-,30-28-,38-35-/t51-/m0/s1",DYYKLAQWCNBXRJ,OVPMLGPNSA,N,"TG(16:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",DYYKLAQWCNBXRJ-OVPMLGPNSA-N
HMDB43882,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-32-/t53-/m0/s1",GFIZLLJRFDGAMJ,HRNHJLCSSA,N,"TG(16:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",GFIZLLJRFDGAMJ-HRNHJLCSSA-N
HMDB43883,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,40,43,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-32-,43-40-/t53-/m0/s1",XGSJGGWGLINQER,QORCEGDYSA,N,"TG(16:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XGSJGGWGLINQER-QORCEGDYSA-N
HMDB43884,806.772726384,C52H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H102O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-48-50(57-52(54)46-43-40-37-34-30-24-21-18-15-12-9-6-3)49-56-51(53)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m1/s1",FIAFEWILDZZFOH,VCZQVZGSSA,N,TG(16:0/15:0/o-18:0),FIAFEWILDZZFOH-VCZQVZGSSA-N
HMDB43888,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",CMVZZBQIBJQHIR,XSMLMOGHSA,N,TG(16:0/16:0/22:0),CMVZZBQIBJQHIR-XSMLMOGHSA-N
HMDB43889,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",MGQHTRNJHGXXET,UWGNJQTFSA,N,TG(16:0/16:0/24:0),MGQHTRNJHGXXET-UWGNJQTFSA-N
HMDB43890,776.689390682,C49H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,46H,4-14,16-17,19-45H2,1-3H3/b18-15-/t46-/m1/s1",OPBZTUKJUNWBGK,XUZVNQLZSA,N,TG(16:0/16:0/14:1(9Z)),OPBZTUKJUNWBGK-XUZVNQLZSA-N
HMDB43895,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h25-26,28,31,36,39,52H,4-24,27,29-30,32-35,37-38,40-51H2,1-3H3/b26-25-,31-28-,39-36-/t52-/m0/s1",YQQLYNBUCCDBQS,CKBMRXNMSA,N,"TG(16:0/16:0/20:3(5Z,8Z,11Z))",YQQLYNBUCCDBQS-CKBMRXNMSA-N
HMDB43896,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h25-26,54H,4-24,27-53H2,1-3H3/b26-25-/t54-/m0/s1",FLALCZKVXJDYDG,ZKWOCSCSSA,N,TG(16:0/16:0/22:1(13Z)),FLALCZKVXJDYDG-ZKWOCSCSSA-N
HMDB43897,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h25-26,56H,4-24,27-55H2,1-3H3/b26-25-/t56-/m0/s1",LRTMQTBQQUGLKW,DOVQLJDSSA,N,TG(16:0/16:0/24:1(15Z)),LRTMQTBQQUGLKW-DOVQLJDSSA-N
HMDB43899,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,31,34,50H,4-15,17-18,20-24,27-30,32-33,35-49H2,1-3H3/b19-16-,26-25-,34-31-/t50-/m0/s1",SDAWBYTVEHZEOC,DONRBAFGSA,N,"TG(16:0/16:0/18:3(6Z,9Z,12Z))",SDAWBYTVEHZEOC-DONRBAFGSA-N
HMDB43900,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,52H,4-15,17-18,20-24,27-51H2,1-3H3/b19-16-,26-25-/t52-/m0/s1",LYMKCBJXTOVQAA,STCNFZRESA,N,TG(16:0/16:0/20:2n6),LYMKCBJXTOVQAA-STCNFZRESA-N
HMDB43901,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,31,52H,4-15,17-18,20-24,27,29-30,32-51H2,1-3H3/b19-16-,26-25-,31-28-/t52-/m0/s1",QREQPUUUIPJTAA,DLBIATTASA,N,TG(16:0/16:0/20:3n6),QREQPUUUIPJTAA-DLBIATTASA-N
HMDB43903,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,54H,4-15,17-18,20-24,27-53H2,1-3H3/b19-16-,26-25-/t54-/m0/s1",BNFQTJUBVNRNJM,RYJQEPTQSA,N,"TG(16:0/16:0/22:2(13Z,16Z))",BNFQTJUBVNRNJM-RYJQEPTQSA-N
HMDB43904,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,54H,4-15,17-18,20-24,27,30-32,34,36-53H2,1-3H3/b19-16-,26-25-,29-28-,35-33-/t54-/m0/s1",MZUGAQXXWDXZIR,XDJJUZNHSA,N,"TG(16:0/16:0/22:4(7Z,10Z,13Z,16Z))",MZUGAQXXWDXZIR-XDJJUZNHSA-N
HMDB43905,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,41,44,54H,4-15,17-18,20-24,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b19-16-,26-25-,29-28-,35-33-,44-41-/t54-/m0/s1",YGANYFGQLLNHPX,IZVIFDEISA,N,"TG(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",YGANYFGQLLNHPX-IZVIFDEISA-N
HMDB43907,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,31,34,50H,4-6,8-9,11-15,17-18,20-24,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,26-25-,34-31-/t50-/m0/s1",BKTGCNHANLSVFZ,ZTSMWHBGSA,N,"TG(16:0/16:0/18:4(6Z,9Z,12Z,15Z))",BKTGCNHANLSVFZ-ZTSMWHBGSA-N
HMDB43908,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,31,52H,4-6,8-9,11-15,17-18,20-24,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,26-25-,31-28-/t52-/m0/s1",GTEUKLVYQXBQGG,GPDMNGRFSA,N,"TG(16:0/16:0/20:4(8Z,11Z,14Z,17Z))",GTEUKLVYQXBQGG-GPDMNGRFSA-N
HMDB43909,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,31,36,39,52H,4-6,8-9,11-15,17-18,20-24,27,29-30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-25-,31-28-,39-36-/t52-/m0/s1",MKRZSXAKFYWUAW,HWCRKSJOSA,N,"TG(16:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",MKRZSXAKFYWUAW-HWCRKSJOSA-N
HMDB43910,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,54H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-53H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-33-/t54-/m0/s1",JKYPCWURBUPJMX,FXKNXVKBSA,N,"TG(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",JKYPCWURBUPJMX-FXKNXVKBSA-N
HMDB43912,820.788376449,C53H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H104O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m1/s1",MKLRNSWSMYIMIP,NLXJDERGSA,N,TG(16:0/16:0/o-18:0),MKLRNSWSMYIMIP-NLXJDERGSA-N
HMDB43913,834.767640996,C53H102O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h50H,4-49H2,1-3H3",QRJMBNGGFSPTQP,UHFFFAOYSA,N,TG(16:0/18:0/16:0),QRJMBNGGFSPTQP-UHFFFAOYSA-N
HMDB43916,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",CAPRXGZRZWSDGE,UWGNJQTFSA,N,TG(16:0/18:0/22:0),CAPRXGZRZWSDGE-UWGNJQTFSA-N
HMDB43917,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",UGOYQIRPHHFTHM,XKJQNMSGSA,N,TG(16:0/18:0/24:0),UGOYQIRPHHFTHM-XKJQNMSGSA-N
HMDB43918,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-/t48-/m1/s1",ZVYPKLGCBSGYSP,WGIOATGOSA,N,TG(16:0/18:0/14:1(9Z)),ZVYPKLGCBSGYSP-WGIOATGOSA-N
HMDB43919,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-/t50-/m1/s1",WZJNVOZPQMDDPI,DKKVYINCSA,N,TG(16:0/18:0/16:1(9Z)),WZJNVOZPQMDDPI-DKKVYINCSA-N
HMDB43920,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,22,52H,4-18,20-21,23-51H2,1-3H3/b22-19-/t52-/m0/s1",RBJMAKBTUZSIDN,QCSIWSIHSA,N,TG(16:0/18:0/18:1(11Z)),RBJMAKBTUZSIDN-QCSIWSIHSA-N
HMDB43923,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,27,30,32,38,41,54H,4-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b27-25-,32-30-,41-38-/t54-/m0/s1",CICXNKCKBFXJSH,LZWIKYMTSA,N,"TG(16:0/18:0/20:3(5Z,8Z,11Z))",CICXNKCKBFXJSH-LZWIKYMTSA-N
HMDB43924,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m0/s1",KJQOITVLKVGNFB,WOGGMIHASA,N,TG(16:0/18:0/22:1(13Z)),KJQOITVLKVGNFB-WOGGMIHASA-N
HMDB43925,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m0/s1",VHRCVRYECDOWTN,YLFQOLFFSA,N,TG(16:0/18:0/24:1(15Z)),VHRCVRYECDOWTN-YLFQOLFFSA-N
HMDB43927,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,33,36,52H,4-15,17-18,20-24,26,28-32,34-35,37-51H2,1-3H3/b19-16-,27-25-,36-33-/t52-/m0/s1",SHZPWJWHCSZOEX,IKMPBALGSA,N,"TG(16:0/18:0/18:3(6Z,9Z,12Z))",SHZPWJWHCSZOEX-IKMPBALGSA-N
HMDB43928,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,54H,4-15,17-18,20-24,26,28-53H2,1-3H3/b19-16-,27-25-/t54-/m0/s1",IVNMDNGRUSIGST,LFLBGDHZSA,N,TG(16:0/18:0/20:2n6),IVNMDNGRUSIGST-LFLBGDHZSA-N
HMDB43929,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,54H,4-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b19-16-,27-25-,32-30-/t54-/m0/s1",FAWROKQWRPDLOA,OSWQCXTLSA,N,TG(16:0/18:0/20:3n6),FAWROKQWRPDLOA-OSWQCXTLSA-N
HMDB43931,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-/t56-/m0/s1",XUNZJZHRHUQSIJ,AFBXCYEQSA,N,"TG(16:0/18:0/22:2(13Z,16Z))",XUNZJZHRHUQSIJ-AFBXCYEQSA-N
HMDB43932,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,56H,4-15,17-18,20-24,26,28,31-33,35-36,38-55H2,1-3H3/b19-16-,27-25-,30-29-,37-34-/t56-/m0/s1",MELSPOWYFHBARN,HZNNKCCWSA,N,"TG(16:0/18:0/22:4(7Z,10Z,13Z,16Z))",MELSPOWYFHBARN-HZNNKCCWSA-N
HMDB43933,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,43,46,56H,4-15,17-18,20-24,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,30-29-,37-34-,46-43-/t56-/m0/s1",MUWCMPWSHMBWIG,GPNYUMHASA,N,"TG(16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",MUWCMPWSHMBWIG-GPNYUMHASA-N
HMDB43934,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,52H,4-6,8-9,11-15,17-18,20-24,26,28-51H2,1-3H3/b10-7-,19-16-,27-25-/t52-/m0/s1",QRLNWUKVSNTXQG,VWMLCLGZSA,N,"TG(16:0/18:0/18:3(9Z,12Z,15Z))",QRLNWUKVSNTXQG-VWMLCLGZSA-N
HMDB43935,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,33,36,52H,4-6,8-9,11-15,17-18,20-24,26,28-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,27-25-,36-33-/t52-/m0/s1",DKOLNIRGGQSZQS,QUUCDMAYSA,N,"TG(16:0/18:0/18:4(6Z,9Z,12Z,15Z))",DKOLNIRGGQSZQS-QUUCDMAYSA-N
HMDB43936,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-/t54-/m0/s1",IJMQCAKVFHJJTI,MXMHWBLZSA,N,"TG(16:0/18:0/20:4(8Z,11Z,14Z,17Z))",IJMQCAKVFHJJTI-MXMHWBLZSA-N
HMDB43937,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,38,41,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,41-38-/t54-/m0/s1",WGKBXGXZUVULLG,VPMAWHITSA,N,"TG(16:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",WGKBXGXZUVULLG-VPMAWHITSA-N
HMDB43938,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-/t56-/m0/s1",USENEJCYIPHYQR,SPCBSKTCSA,N,"TG(16:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",USENEJCYIPHYQR-SPCBSKTCSA-N
HMDB43939,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-,46-43-/t56-/m0/s1",FXRPCDPGZXCYFO,BNXCHFSWSA,N,"TG(16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FXRPCDPGZXCYFO-BNXCHFSWSA-N
HMDB43940,848.819676578,C55H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m1/s1",CEEXXJUVQPNYKF,IONAWPRUSA,N,TG(16:0/18:0/o-18:0),CEEXXJUVQPNYKF-IONAWPRUSA-N
HMDB43941,862.798941124,C55H106O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h52H,4-51H2,1-3H3",IJSLZAWSVKSSIV,UHFFFAOYSA,N,TG(16:0/20:0/16:0),IJSLZAWSVKSSIV-UHFFFAOYSA-N
HMDB43942,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",QNEZEFRSRMSHTN,XSMLMOGHSA,N,TG(16:0/20:0/18:0),QNEZEFRSRMSHTN-XSMLMOGHSA-N
HMDB43944,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",BJLFDEXRRNQSQQ,XKJQNMSGSA,N,TG(16:0/20:0/22:0),BJLFDEXRRNQSQQ-XKJQNMSGSA-N
HMDB43945,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m0/s1",MHTPWIOJUWJIQQ,WDLSKMLESA,N,TG(16:0/20:0/24:0),MHTPWIOJUWJIQQ-WDLSKMLESA-N
HMDB43946,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-/t50-/m1/s1",NUDWUEDOVQTBDG,GBDWEMPCSA,N,TG(16:0/20:0/14:1(9Z)),NUDWUEDOVQTBDG-GBDWEMPCSA-N
HMDB43947,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-/t52-/m1/s1",CTJNGANIHXWVQH,AZEUCKTBSA,N,TG(16:0/20:0/16:1(9Z)),CTJNGANIHXWVQH-AZEUCKTBSA-N
HMDB43948,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-/t54-/m0/s1",CZMAJLBPYUFDNA,AEGUMOJNSA,N,TG(16:0/20:0/18:1(11Z)),CZMAJLBPYUFDNA-AEGUMOJNSA-N
HMDB43949,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,54H,4-25,27-28,30-53H2,1-3H3/b29-26-/t54-/m0/s1",JCVFZHFBLDWEFA,IBZYRLJDSA,N,TG(16:0/20:0/18:1(9Z)),JCVFZHFBLDWEFA-IBZYRLJDSA-N
HMDB43951,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,31,34,40,43,56H,4-24,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b27-25-,34-31-,43-40-/t56-/m0/s1",ZRZZSVXOCAQREJ,JWLRJITHSA,N,"TG(16:0/20:0/20:3(5Z,8Z,11Z))",ZRZZSVXOCAQREJ-JWLRJITHSA-N
HMDB43952,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m0/s1",FTAJNPOTLJZJDO,YLFQOLFFSA,N,TG(16:0/20:0/22:1(13Z)),FTAJNPOTLJZJDO-YLFQOLFFSA-N
HMDB43953,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-/t60-/m0/s1",KXNZZVRMSWHVPA,HBFRPXMKSA,N,TG(16:0/20:0/24:1(15Z)),KXNZZVRMSWHVPA-HBFRPXMKSA-N
HMDB43954,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,54H,4-16,18-19,21-25,27-28,30-53H2,1-3H3/b20-17-,29-26-/t54-/m0/s1",LWPNHBLSKDHCGK,DSBSTBFVSA,N,"TG(16:0/20:0/18:2(9Z,12Z))",LWPNHBLSKDHCGK-DSBSTBFVSA-N
HMDB43955,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,54H,4-16,18-19,21-25,27-28,30-34,36-37,39-53H2,1-3H3/b20-17-,29-26-,38-35-/t54-/m0/s1",BHIUUNLDJFUIJS,JWSNKXTBSA,N,"TG(16:0/20:0/18:3(6Z,9Z,12Z))",BHIUUNLDJFUIJS-JWSNKXTBSA-N
HMDB43956,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-/t56-/m0/s1",QHMIFVZMPUXEAH,AFBXCYEQSA,N,TG(16:0/20:0/20:2n6),QHMIFVZMPUXEAH-AFBXCYEQSA-N
HMDB43957,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,34,56H,4-15,17-18,20-24,26,28-30,32-33,35-55H2,1-3H3/b19-16-,27-25-,34-31-/t56-/m0/s1",FRJCQVSHPGJUQH,JLPFUEENSA,N,TG(16:0/20:0/20:3n6),FRJCQVSHPGJUQH-JLPFUEENSA-N
HMDB43959,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,58H,4-15,17-18,20-24,26,28-57H2,1-3H3/b19-16-,27-25-/t58-/m0/s1",ZWYSQWJROGDLIY,KMHMPRQHSA,N,"TG(16:0/20:0/22:2(13Z,16Z))",ZWYSQWJROGDLIY-KMHMPRQHSA-N
HMDB43960,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,58H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,27-25-,32-30-,39-36-/t58-/m0/s1",LRLYDHNYCOCMPB,SWZVAHJASA,N,"TG(16:0/20:0/22:4(7Z,10Z,13Z,16Z))",LRLYDHNYCOCMPB-SWZVAHJASA-N
HMDB43961,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,45,48,58H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1",JROVQNCBUTTWOU,KSNBSDJVSA,N,"TG(16:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",JROVQNCBUTTWOU-KSNBSDJVSA-N
HMDB43962,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-53H2,1-3H3/b11-8-,20-17-,29-26-/t54-/m0/s1",XALHWTWEHSQIBY,ZBQQGBJQSA,N,"TG(16:0/20:0/18:3(9Z,12Z,15Z))",XALHWTWEHSQIBY-ZBQQGBJQSA-N
HMDB43963,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,29-26-,38-35-/t54-/m0/s1",MEUNMCWGMQZVER,ODQDWSBLSA,N,"TG(16:0/20:0/18:4(6Z,9Z,12Z,15Z))",MEUNMCWGMQZVER-ODQDWSBLSA-N
HMDB43964,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,34,56H,4-6,8-9,11-15,17-18,20-24,26,28-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,27-25-,34-31-/t56-/m0/s1",ZMLBQZHQBSTROJ,GFEULPGBSA,N,"TG(16:0/20:0/20:4(8Z,11Z,14Z,17Z))",ZMLBQZHQBSTROJ-GFEULPGBSA-N
HMDB43965,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,27-25-,34-31-,43-40-/t56-/m0/s1",ODQPSLIHPJJOPS,RRRIQWIQSA,N,"TG(16:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",ODQPSLIHPJJOPS-RRRIQWIQSA-N
HMDB43966,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-/t58-/m0/s1",HHKZNHTVLPHGPM,AVSPBTJNSA,N,"TG(16:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",HHKZNHTVLPHGPM-AVSPBTJNSA-N
HMDB43967,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1",MFEMOOPQEUDGEA,PHSSQEMSSA,N,"TG(16:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MFEMOOPQEUDGEA-PHSSQEMSSA-N
HMDB43968,876.850976706,C57H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m1/s1",VABBVGYKOGBZBJ,KZRJWCEASA,N,TG(16:0/20:0/o-18:0),VABBVGYKOGBZBJ-KZRJWCEASA-N
HMDB43969,890.830241252,C57H110O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h54H,4-53H2,1-3H3",ZAPQRWSMQICTDG,UHFFFAOYSA,N,TG(16:0/22:0/16:0),ZAPQRWSMQICTDG-UHFFFAOYSA-N
HMDB43970,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",SDRCIYYCZPGLNW,UWGNJQTFSA,N,TG(16:0/22:0/18:0),SDRCIYYCZPGLNW-UWGNJQTFSA-N
HMDB43971,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",CSSXUHDSNYRFTN,XKJQNMSGSA,N,TG(16:0/22:0/20:0),CSSXUHDSNYRFTN-XKJQNMSGSA-N
HMDB43972,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m0/s1",XSZWLSQCJKCCQV,WDLSKMLESA,N,TG(16:0/22:0/22:0),XSZWLSQCJKCCQV-WDLSKMLESA-N
HMDB43973,1002.955441777,C65H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3/t62-/m0/s1",XMJKHUFRQBVMGQ,PNVGIOEQSA,N,TG(16:0/22:0/24:0),XMJKHUFRQBVMGQ-PNVGIOEQSA-N
HMDB43974,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-/t52-/m1/s1",XCUDAEXONKXLRB,AYIAWJIRSA,N,TG(16:0/22:0/14:1(9Z)),XCUDAEXONKXLRB-AYIAWJIRSA-N
HMDB43975,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-/t54-/m1/s1",VQWFQOJRISNWCH,WTNBXCFCSA,N,TG(16:0/22:0/16:1(9Z)),VQWFQOJRISNWCH-WTNBXCFCSA-N
HMDB43976,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-/t56-/m0/s1",MGLUNDCYIGYIEO,SKYDHSLNSA,N,TG(16:0/22:0/18:1(11Z)),MGLUNDCYIGYIEO-SKYDHSLNSA-N
HMDB43977,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h26,31,56H,4-25,27-30,32-55H2,1-3H3/b31-26-/t56-/m0/s1",KVLYQVRJXYJGRU,FAIRWSLRSA,N,TG(16:0/22:0/18:1(9Z)),KVLYQVRJXYJGRU-FAIRWSLRSA-N
HMDB43978,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,58H,4-25,27,29-57H2,1-3H3/b28-26-/t58-/m0/s1",OFJMTBHYOPTWLE,SVSHLSLKSA,N,TG(16:0/22:0/20:1(11Z)),OFJMTBHYOPTWLE-SVSHLSLKSA-N
HMDB43979,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,33,36,42,45,58H,4-25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b28-26-,36-33-,45-42-/t58-/m0/s1",ZKXHCZXVCQJSLC,UGWYLRMGSA,N,"TG(16:0/22:0/20:3(5Z,8Z,11Z))",ZKXHCZXVCQJSLC-UGWYLRMGSA-N
HMDB43980,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-/t60-/m0/s1",CTOZRWCYXGCCPP,HBFRPXMKSA,N,TG(16:0/22:0/22:1(13Z)),CTOZRWCYXGCCPP-HBFRPXMKSA-N
HMDB43981,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,62H,4-24,26,28-61H2,1-3H3/b27-25-/t62-/m0/s1",ZCGZRSHWWMQWDQ,SWQRNEPRSA,N,TG(16:0/22:0/24:1(15Z)),ZCGZRSHWWMQWDQ-SWQRNEPRSA-N
HMDB43982,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,56H,4-16,18-19,21-25,27-30,32-55H2,1-3H3/b20-17-,31-26-/t56-/m0/s1",DLHLOJATURJKGG,SQWTXUHUSA,N,"TG(16:0/22:0/18:2(9Z,12Z))",DLHLOJATURJKGG-SQWTXUHUSA-N
HMDB43983,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,37,40,56H,4-16,18-19,21-25,27-30,32-36,38-39,41-55H2,1-3H3/b20-17-,31-26-,40-37-/t56-/m0/s1",XHZJWPLUQJFFGM,FSTDJENDSA,N,"TG(16:0/22:0/18:3(6Z,9Z,12Z))",XHZJWPLUQJFFGM-FSTDJENDSA-N
HMDB43984,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,58H,4-16,18-19,21-25,27,29-57H2,1-3H3/b20-17-,28-26-/t58-/m0/s1",XAOHLQFHAMQDGH,FLJSPLEDSA,N,TG(16:0/22:0/20:2n6),XAOHLQFHAMQDGH-FLJSPLEDSA-N
HMDB43985,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,58H,4-16,18-19,21-25,27,29-32,34-35,37-57H2,1-3H3/b20-17-,28-26-,36-33-/t58-/m0/s1",FYFQGQAMTRIKHO,MAMUJQPPSA,N,TG(16:0/22:0/20:3n6),FYFQGQAMTRIKHO-MAMUJQPPSA-N
HMDB43986,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,42,45,58H,4-16,18-19,21-25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b20-17-,28-26-,36-33-,45-42-/t58-/m0/s1",KLBXZRONSATXOR,PRBZMCLESA,N,"TG(16:0/22:0/20:4(5Z,8Z,11Z,14Z))",KLBXZRONSATXOR-PRBZMCLESA-N
HMDB43987,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,60H,4-15,17-18,20-24,26,28-59H2,1-3H3/b19-16-,27-25-/t60-/m0/s1",VBRUDSKZQDCRGT,AIPFJYIQSA,N,"TG(16:0/22:0/22:2(13Z,16Z))",VBRUDSKZQDCRGT-AIPFJYIQSA-N
HMDB43988,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,38,41,60H,4-15,17-18,20-24,26,28-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,27-25-,33-31-,41-38-/t60-/m0/s1",RFESPFKKWBRMFJ,QMJUPJGBSA,N,"TG(16:0/22:0/22:4(7Z,10Z,13Z,16Z))",RFESPFKKWBRMFJ-QMJUPJGBSA-N
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HMDB43990,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-55H2,1-3H3/b11-8-,20-17-,31-26-/t56-/m0/s1",DNOUOVRCBZLUCB,ODYOSRGNSA,N,"TG(16:0/22:0/18:3(9Z,12Z,15Z))",DNOUOVRCBZLUCB-ODYOSRGNSA-N
HMDB43991,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,37,40,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,31-26-,40-37-/t56-/m0/s1",OJFFDEWSSKNYBT,NESPQTGASA,N,"TG(16:0/22:0/18:4(6Z,9Z,12Z,15Z))",OJFFDEWSSKNYBT-NESPQTGASA-N
HMDB43992,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,58H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,28-26-,36-33-/t58-/m0/s1",PTUORBCKDRTJCD,QDYXNFAJSA,N,"TG(16:0/22:0/20:4(8Z,11Z,14Z,17Z))",PTUORBCKDRTJCD-QDYXNFAJSA-N
HMDB43993,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,42,45,58H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,45-42-/t58-/m0/s1",CWCAJFFZYPODRL,CPVXDPHESA,N,"TG(16:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",CWCAJFFZYPODRL-CPVXDPHESA-N
HMDB43994,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,38,41,60H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,41-38-/t60-/m0/s1",RGTDFTBQSPVDLT,BILOXPJZSA,N,"TG(16:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",RGTDFTBQSPVDLT-BILOXPJZSA-N
HMDB43995,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,41-38-,50-47-/t60-/m0/s1",YDUCJNVMKCLMRK,GDIYQKLGSA,N,"TG(16:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YDUCJNVMKCLMRK-GDIYQKLGSA-N
HMDB43996,904.882276835,C59H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m1/s1",FCXMVKOLJCRPEE,ODEQYEIHSA,N,TG(16:0/22:0/o-18:0),FCXMVKOLJCRPEE-ODEQYEIHSA-N
HMDB43997,918.86154138,C59H114O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h56H,4-55H2,1-3H3",VGAJXYJMKBPNAD,UHFFFAOYSA,N,TG(16:0/24:0/16:0),VGAJXYJMKBPNAD-UHFFFAOYSA-N
HMDB43998,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",AZDBBQMTVKRGKH,XKJQNMSGSA,N,TG(16:0/24:0/18:0),AZDBBQMTVKRGKH-XKJQNMSGSA-N
HMDB43999,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m0/s1",FVSYJFZZEDLXBR,WDLSKMLESA,N,TG(16:0/24:0/20:0),FVSYJFZZEDLXBR-WDLSKMLESA-N
HMDB44000,1002.955441777,C65H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3/t62-/m0/s1",YQOIIVYVEGUWDN,PNVGIOEQSA,N,TG(16:0/24:0/22:0),YQOIIVYVEGUWDN-PNVGIOEQSA-N
HMDB44001,1030.986741906,C67H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3/t64-/m0/s1",MZPJTNNGVVVWNO,JVUALNACSA,N,TG(16:0/24:0/24:0),MZPJTNNGVVVWNO-JVUALNACSA-N
HMDB44002,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-/t54-/m1/s1",QSQLLDYMTXNRPS,IXHOOSMISA,N,TG(16:0/24:0/14:1(9Z)),QSQLLDYMTXNRPS-IXHOOSMISA-N
HMDB44003,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-/t56-/m1/s1",YCRUOZPSQCDMCU,BUKBLQRKSA,N,TG(16:0/24:0/16:1(9Z)),YCRUOZPSQCDMCU-BUKBLQRKSA-N
HMDB44004,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h20,23,58H,4-19,21-22,24-57H2,1-3H3/b23-20-/t58-/m0/s1",DAWGNGLDVZPOMT,DYKNZTCSSA,N,TG(16:0/24:0/18:1(11Z)),DAWGNGLDVZPOMT-DYKNZTCSSA-N
HMDB44005,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h26,33,58H,4-25,27-32,34-57H2,1-3H3/b33-26-/t58-/m0/s1",IWHAIDBTHLHHMB,JCZYWLILSA,N,TG(16:0/24:0/18:1(9Z)),IWHAIDBTHLHHMB-JCZYWLILSA-N
HMDB44006,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,60H,4-25,27,29-59H2,1-3H3/b28-26-/t60-/m0/s1",MGBYDKAHDISQBC,NVOZVBLZSA,N,TG(16:0/24:0/20:1(11Z)),MGBYDKAHDISQBC-NVOZVBLZSA-N
HMDB44007,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,35,38,44,47,60H,4-25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b28-26-,38-35-,47-44-/t60-/m0/s1",GKUAJCNVJMNRAV,HPCJMVLVSA,N,"TG(16:0/24:0/20:3(5Z,8Z,11Z))",GKUAJCNVJMNRAV-HPCJMVLVSA-N
HMDB44008,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,62H,4-25,27,29-61H2,1-3H3/b28-26-/t62-/m0/s1",XFMGGMDKSHLVQY,DVLIBLGESA,N,TG(16:0/24:0/22:1(13Z)),XFMGGMDKSHLVQY-DVLIBLGESA-N
HMDB44009,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,64H,4-24,26,28-63H2,1-3H3/b27-25-/t64-/m0/s1",ZUZUCSVXIMHETD,FEVFVPMPSA,N,TG(16:0/24:0/24:1(15Z)),ZUZUCSVXIMHETD-FEVFVPMPSA-N
HMDB44010,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,58H,4-16,18-19,21-25,27-32,34-57H2,1-3H3/b20-17-,33-26-/t58-/m0/s1",QWFBYRTVWVIXIZ,FGLIZSHHSA,N,"TG(16:0/24:0/18:2(9Z,12Z))",QWFBYRTVWVIXIZ-FGLIZSHHSA-N
HMDB44011,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,39,42,58H,4-16,18-19,21-25,27-32,34-38,40-41,43-57H2,1-3H3/b20-17-,33-26-,42-39-/t58-/m0/s1",GIRHPCGBIJZASY,IUHWKNOBSA,N,"TG(16:0/24:0/18:3(6Z,9Z,12Z))",GIRHPCGBIJZASY-IUHWKNOBSA-N
HMDB44012,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,60H,4-16,18-19,21-25,27,29-59H2,1-3H3/b20-17-,28-26-/t60-/m0/s1",OLEXXKUUZGHGOQ,KOGOAZCMSA,N,TG(16:0/24:0/20:2n6),OLEXXKUUZGHGOQ-KOGOAZCMSA-N
HMDB44013,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,38,60H,4-16,18-19,21-25,27,29-34,36-37,39-59H2,1-3H3/b20-17-,28-26-,38-35-/t60-/m0/s1",BDAPQXURZQCHLV,XQBYCCCTSA,N,TG(16:0/24:0/20:3n6),BDAPQXURZQCHLV-XQBYCCCTSA-N
HMDB44014,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,38,44,47,60H,4-16,18-19,21-25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,28-26-,38-35-,47-44-/t60-/m0/s1",ZFHHHJBRXGVHEW,TUAJXNQRSA,N,"TG(16:0/24:0/20:4(5Z,8Z,11Z,14Z))",ZFHHHJBRXGVHEW-TUAJXNQRSA-N
HMDB44015,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,62H,4-16,18-19,21-25,27,29-61H2,1-3H3/b20-17-,28-26-/t62-/m0/s1",RSJBVFYAAXSDDC,BMMWUWLLSA,N,"TG(16:0/24:0/22:2(13Z,16Z))",RSJBVFYAAXSDDC-BMMWUWLLSA-N
HMDB44016,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,40,43,62H,4-16,18-19,21-25,27,29-32,34,36-39,41-42,44-61H2,1-3H3/b20-17-,28-26-,35-33-,43-40-/t62-/m0/s1",MDIGFWJCHFDPAB,GTCJWNPWSA,N,"TG(16:0/24:0/22:4(7Z,10Z,13Z,16Z))",MDIGFWJCHFDPAB-GTCJWNPWSA-N
HMDB44017,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,40,43,49,52,62H,4-16,18-19,21-25,27,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b20-17-,28-26-,35-33-,43-40-,52-49-/t62-/m0/s1",ARYGBNJXSHSCAN,ZXNNISGASA,N,"TG(16:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",ARYGBNJXSHSCAN-ZXNNISGASA-N
HMDB44018,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-57H2,1-3H3/b11-8-,20-17-,33-26-/t58-/m0/s1",XASLXNYLAYUVLS,KQWNDZRGSA,N,"TG(16:0/24:0/18:3(9Z,12Z,15Z))",XASLXNYLAYUVLS-KQWNDZRGSA-N
HMDB44019,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,39,42,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,33-26-,42-39-/t58-/m0/s1",LQBZDHKVUKVJGO,NMSHUJNMSA,N,"TG(16:0/24:0/18:4(6Z,9Z,12Z,15Z))",LQBZDHKVUKVJGO-NMSHUJNMSA-N
HMDB44020,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,38,60H,4-7,9-10,12-16,18-19,21-25,27,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,28-26-,38-35-/t60-/m0/s1",SPLSVCLRKCVCTG,DHYBJZJHSA,N,"TG(16:0/24:0/20:4(8Z,11Z,14Z,17Z))",SPLSVCLRKCVCTG-DHYBJZJHSA-N
HMDB44021,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,38,44,47,60H,4-7,9-10,12-16,18-19,21-25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,28-26-,38-35-,47-44-/t60-/m0/s1",NWYRSEXEDYEEFM,PZDPHOICSA,N,"TG(16:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",NWYRSEXEDYEEFM-PZDPHOICSA-N
HMDB44022,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,40,43,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-39,41-42,44-61H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,43-40-/t62-/m0/s1",OQSNMNYNSBEBTL,BYRUWHMQSA,N,"TG(16:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",OQSNMNYNSBEBTL-BYRUWHMQSA-N
HMDB44023,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,40,43,49,52,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,43-40-,52-49-/t62-/m0/s1",DSAMIQANAJREFW,YXKIDBTMSA,N,"TG(16:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DSAMIQANAJREFW-YXKIDBTMSA-N
HMDB44024,932.913576964,C61H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-59(58-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3/t59-/m1/s1",HVTDKYGAAKUWDL,OBEXFZABSA,N,TG(16:0/24:0/o-18:0),HVTDKYGAAKUWDL-OBEXFZABSA-N
HMDB44025,776.689390676,C49H92O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,46H,4-14,16-17,19-45H2,1-3H3/b18-15-",BQMIMRYZPPMJAH,SDXDJHTJSA,N,TG(16:0/14:1(9Z)/16:0),BQMIMRYZPPMJAH-SDXDJHTJSA-N
HMDB44026,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-/t48-/m0/s1",FTSVKEQEERVOIA,CVGXBFGDSA,N,TG(16:0/14:1(9Z)/18:0),FTSVKEQEERVOIA-CVGXBFGDSA-N
HMDB44027,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-/t50-/m0/s1",CFVQZUVDWQNPEM,JDGSYGFWSA,N,TG(16:0/14:1(9Z)/20:0),CFVQZUVDWQNPEM-JDGSYGFWSA-N
HMDB44028,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-/t52-/m0/s1",ABKYLPGNJIGVKV,QQAMXCKBSA,N,TG(16:0/14:1(9Z)/22:0),ABKYLPGNJIGVKV-QQAMXCKBSA-N
HMDB44029,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-/t54-/m0/s1",GWIFZHMAJCHBBF,JGXNLIRDSA,N,TG(16:0/14:1(9Z)/24:0),GWIFZHMAJCHBBF-JGXNLIRDSA-N
HMDB44030,746.642440489,C47H86O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14-15,17-18,44H,4-13,16,19-43H2,1-3H3/b17-14-,18-15-/t44-/m1/s1",MVWPGRQBICMGIE,SCSZFZRQSA,N,TG(16:0/14:1(9Z)/14:1(9Z)),MVWPGRQBICMGIE-SCSZFZRQSA-N
HMDB44031,774.673740618,C49H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18-19,22,46H,4-14,16-17,20-21,23-45H2,1-3H3/b18-15-,22-19-/t46-/m1/s1",JFLREXIUYJMWAZ,HLWBBGRPSA,N,TG(16:0/14:1(9Z)/16:1(9Z)),JFLREXIUYJMWAZ-HLWBBGRPSA-N
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HMDB44033,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,48H,4-14,16-17,19-23,26-47H2,1-3H3/b18-15-,25-24-/t48-/m0/s1",DBEISKRQBLINTF,HQOGPMNASA,N,TG(16:0/14:1(9Z)/18:1(9Z)),DBEISKRQBLINTF-HQOGPMNASA-N
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HMDB44058,774.673740618,C49H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,20,23,46H,4-14,16-17,19,21-22,24-45H2,1-3H3/b18-15-,23-20-/t46-/m1/s1",WPCZUCAZFAYPKW,XHEKTQIWSA,N,TG(16:0/16:1(9Z)/14:1(9Z)),WPCZUCAZFAYPKW-XHEKTQIWSA-N
HMDB44060,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19,21-22,24,50H,4-18,20,23,25-49H2,1-3H3/b22-19-,24-21-/t50-/m0/s1",ALDDTVYQXQKCAC,OXFCDKDHSA,N,TG(16:0/16:1(9Z)/18:1(11Z)),ALDDTVYQXQKCAC-OXFCDKDHSA-N
HMDB44063,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h21,24-26,28,31,36,39,52H,4-20,22-23,27,29-30,32-35,37-38,40-51H2,1-3H3/b24-21-,26-25-,31-28-,39-36-/t52-/m0/s1",FDHJYRGOANTNOO,PDNKBYNKSA,N,"TG(16:0/16:1(9Z)/20:3(5Z,8Z,11Z))",FDHJYRGOANTNOO-PDNKBYNKSA-N
HMDB44064,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h21,24-26,54H,4-20,22-23,27-53H2,1-3H3/b24-21-,26-25-/t54-/m0/s1",FNTIMIABTDJKKH,KMHUGEJYSA,N,TG(16:0/16:1(9Z)/22:1(13Z)),FNTIMIABTDJKKH-KMHUGEJYSA-N
HMDB44065,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h21,24-26,56H,4-20,22-23,27-55H2,1-3H3/b24-21-,26-25-/t56-/m0/s1",KSMPHUBCCOCMRE,NSZDUQPRSA,N,TG(16:0/16:1(9Z)/24:1(15Z)),KSMPHUBCCOCMRE-NSZDUQPRSA-N
HMDB44067,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,21,24-26,31,34,50H,4-15,17-18,20,22-23,27-30,32-33,35-49H2,1-3H3/b19-16-,24-21-,26-25-,34-31-/t50-/m0/s1",SWRIYMPOMOLLBH,CYLRSRHKSA,N,"TG(16:0/16:1(9Z)/18:3(6Z,9Z,12Z))",SWRIYMPOMOLLBH-CYLRSRHKSA-N
HMDB44068,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,21,24-26,52H,4-15,17-18,20,22-23,27-51H2,1-3H3/b19-16-,24-21-,26-25-/t52-/m0/s1",QDDBVRCUCSETRT,DXUJUDPQSA,N,TG(16:0/16:1(9Z)/20:2n6),QDDBVRCUCSETRT-DXUJUDPQSA-N
HMDB44069,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,31,52H,4-15,17-18,20,22-23,27,29-30,32-51H2,1-3H3/b19-16-,24-21-,26-25-,31-28-/t52-/m0/s1",SUSIMFZQHRKHPM,MVJDSKMJSA,N,TG(16:0/16:1(9Z)/20:3n6),SUSIMFZQHRKHPM-MVJDSKMJSA-N
HMDB44071,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,21,24-26,54H,4-15,17-18,20,22-23,27-53H2,1-3H3/b19-16-,24-21-,26-25-/t54-/m0/s1",GLPSWGYMFAIAQL,GAAFYMMSSA,N,"TG(16:0/16:1(9Z)/22:2(13Z,16Z))",GLPSWGYMFAIAQL-GAAFYMMSSA-N
HMDB44072,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,35,54H,4-15,17-18,20,22-23,27,30-32,34,36-53H2,1-3H3/b19-16-,24-21-,26-25-,29-28-,35-33-/t54-/m0/s1",JULWPANCJCTRDN,KFYGFTBTSA,N,"TG(16:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",JULWPANCJCTRDN-KFYGFTBTSA-N
HMDB44073,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,35,41,44,54H,4-15,17-18,20,22-23,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b19-16-,24-21-,26-25-,29-28-,35-33-,44-41-/t54-/m0/s1",RFFRAGBXLXCBSZ,LZQVLKKOSA,N,"TG(16:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RFFRAGBXLXCBSZ-LZQVLKKOSA-N
HMDB44074,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,50H,4-6,8-9,11-15,17-18,20,22-23,27-49H2,1-3H3/b10-7-,19-16-,24-21-,26-25-/t50-/m0/s1",RHUJINIOQZVHBP,YLUVELIWSA,N,"TG(16:0/16:1(9Z)/18:3(9Z,12Z,15Z))",RHUJINIOQZVHBP-YLUVELIWSA-N
HMDB44075,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,31,34,50H,4-6,8-9,11-15,17-18,20,22-23,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,24-21-,26-25-,34-31-/t50-/m0/s1",YRZBMLPNEKVHRG,LGIKTIPYSA,N,"TG(16:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",YRZBMLPNEKVHRG-LGIKTIPYSA-N
HMDB44076,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,31,52H,4-6,8-9,11-15,17-18,20,22-23,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,24-21-,26-25-,31-28-/t52-/m0/s1",PBFPTUPUIISNJT,LALOFDQDSA,N,"TG(16:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",PBFPTUPUIISNJT-LALOFDQDSA-N
HMDB44077,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,31,36,39,52H,4-6,8-9,11-15,17-18,20,22-23,27,29-30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,24-21-,26-25-,31-28-,39-36-/t52-/m0/s1",CCDSJNBGVOSHIH,OFLVPTCNSA,N,"TG(16:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CCDSJNBGVOSHIH-OFLVPTCNSA-N
HMDB44078,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,35,54H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34,36-53H2,1-3H3/b10-7-,19-16-,24-21-,26-25-,29-28-,35-33-/t54-/m0/s1",VKAYDSJZVUXKJK,CUJLVQAOSA,N,"TG(16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VKAYDSJZVUXKJK-CUJLVQAOSA-N
HMDB44079,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,35,41,44,54H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,24-21-,26-25-,29-28-,35-33-,44-41-/t54-/m0/s1",JVFAGALXCYHZAP,MYEGWUPISA,N,"TG(16:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JVFAGALXCYHZAP-MYEGWUPISA-N
HMDB44080,818.772726384,C53H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h21,24,51H,4-20,22-23,25-50H2,1-3H3/b24-21-/t51-/m1/s1",IMAYYTXKTMLZPD,PLQIPONWSA,N,TG(16:0/16:1(9Z)/o-18:0),IMAYYTXKTMLZPD-PLQIPONWSA-N
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HMDB44113,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h26,33,58H,4-25,27-32,34-57H2,1-3H3/b33-26-/t58-/m0/s1",DFSTYDOPXLRTDY,JCZYWLILSA,N,TG(16:0/18:1(9Z)/24:0),DFSTYDOPXLRTDY-JCZYWLILSA-N
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HMDB44115,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h20,23,25-26,50H,4-19,21-22,24,27-49H2,1-3H3/b23-20-,26-25-/t50-/m1/s1",XMGKWDALQAPFOX,QBMFBTMJSA,N,TG(16:0/18:1(9Z)/16:1(9Z)),XMGKWDALQAPFOX-QBMFBTMJSA-N
HMDB44116,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,22,26,28,52H,4-18,20-21,23-25,27,29-51H2,1-3H3/b22-19-,28-26-/t52-/m0/s1",QJRAIXUZRUZYSD,SHXCIMIZSA,N,TG(16:0/18:1(9Z)/18:1(11Z)),QJRAIXUZRUZYSD-SHXCIMIZSA-N
HMDB44119,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,32,38,41,54H,4-24,28,31,33-37,39-40,42-53H2,1-3H3/b27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",MLDZOBNZLQGSSG,JPODKDQMSA,N,"TG(16:0/18:1(9Z)/20:3(5Z,8Z,11Z))",MLDZOBNZLQGSSG-JPODKDQMSA-N
HMDB44120,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h25-27,31,56H,4-24,28-30,32-55H2,1-3H3/b27-25-,31-26-/t56-/m0/s1",DSGUAGSLOJNCIC,ZFWLCYAFSA,N,TG(16:0/18:1(9Z)/22:1(13Z)),DSGUAGSLOJNCIC-ZFWLCYAFSA-N
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HMDB44123,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,33,36,52H,4-15,17-18,20-24,29-32,34-35,37-51H2,1-3H3/b19-16-,27-25-,28-26-,36-33-/t52-/m0/s1",ZZYGNXBDVZTTTC,IPOYGSLFSA,N,"TG(16:0/18:1(9Z)/18:3(6Z,9Z,12Z))",ZZYGNXBDVZTTTC-IPOYGSLFSA-N
HMDB44124,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29,54H,4-15,17-18,20-24,28,30-53H2,1-3H3/b19-16-,27-25-,29-26-/t54-/m0/s1",JQSCFVCYBPEHML,HLYOSYIHSA,N,TG(16:0/18:1(9Z)/20:2n6),JQSCFVCYBPEHML-HLYOSYIHSA-N
HMDB44125,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,54H,4-15,17-18,20-24,28,31,33-53H2,1-3H3/b19-16-,27-25-,29-26-,32-30-/t54-/m0/s1",XSESJUIKHHMUIV,VOWGSZCXSA,N,TG(16:0/18:1(9Z)/20:3n6),XSESJUIKHHMUIV-VOWGSZCXSA-N
HMDB44127,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,56H,4-15,17-18,20-24,28-30,32-55H2,1-3H3/b19-16-,27-25-,31-26-/t56-/m0/s1",NUOMFWYANYNFPN,JTCUIPEBSA,N,"TG(16:0/18:1(9Z)/22:2(13Z,16Z))",NUOMFWYANYNFPN-JTCUIPEBSA-N
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HMDB44130,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,52H,4-6,8-9,11-15,17-18,20-24,29-51H2,1-3H3/b10-7-,19-16-,27-25-,28-26-/t52-/m0/s1",HMIFBOVAIYAEFO,DMVFSZKGSA,N,"TG(16:0/18:1(9Z)/18:3(9Z,12Z,15Z))",HMIFBOVAIYAEFO-DMVFSZKGSA-N
HMDB44131,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,33,36,52H,4-6,8-9,11-15,17-18,20-24,29-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,36-33-/t52-/m0/s1",WZPQAQGIOSQQKF,XVLKUSPHSA,N,"TG(16:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",WZPQAQGIOSQQKF-XVLKUSPHSA-N
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HMDB44133,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,32,38,41,54H,4-6,8-9,11-15,17-18,20-24,28,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",UWGNMVQVXFWGDQ,CZJFOSJLSA,N,"TG(16:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",UWGNMVQVXFWGDQ-CZJFOSJLSA-N
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HMDB44135,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-34-,46-43-/t56-/m0/s1",YGOKCUTVSFRDFI,BJYWPFFYSA,N,"TG(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YGOKCUTVSFRDFI-BJYWPFFYSA-N
HMDB44136,846.804026513,C55H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,53H,4-25,27,29-52H2,1-3H3/b28-26-/t53-/m1/s1",BJGHBVVNFOFKNW,OEZZFSSDSA,N,TG(16:0/18:1(9Z)/o-18:0),BJGHBVVNFOFKNW-OEZZFSSDSA-N
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HMDB44138,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-/t54-/m0/s1",QVDYDIZGXSWABG,SEDDCBKKSA,N,TG(16:0/20:1(11Z)/18:0),QVDYDIZGXSWABG-SEDDCBKKSA-N
HMDB44139,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,56H,4-25,27,29-55H2,1-3H3/b28-26-/t56-/m0/s1",YWSYMQKEXATFKF,JXHGQNSUSA,N,TG(16:0/20:1(11Z)/20:0),YWSYMQKEXATFKF-JXHGQNSUSA-N
HMDB44140,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,58H,4-25,27,29-57H2,1-3H3/b28-26-/t58-/m0/s1",RUQYEAHBANUFGY,SVSHLSLKSA,N,TG(16:0/20:1(11Z)/22:0),RUQYEAHBANUFGY-SVSHLSLKSA-N
HMDB44141,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h26,28,60H,4-25,27,29-59H2,1-3H3/b28-26-/t60-/m0/s1",OWXSQMIDLXAPIW,NVOZVBLZSA,N,TG(16:0/20:1(11Z)/24:0),OWXSQMIDLXAPIW-NVOZVBLZSA-N
HMDB44142,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,24-25,50H,4-14,16-17,19-23,26-49H2,1-3H3/b18-15-,25-24-/t50-/m1/s1",CUMDLTIORIHYLL,YZLGPNATSA,N,TG(16:0/20:1(11Z)/14:1(9Z)),CUMDLTIORIHYLL-YZLGPNATSA-N
HMDB44143,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20,23,25-26,52H,4-19,21-22,24,27-51H2,1-3H3/b23-20-,26-25-/t52-/m1/s1",GPGKDCQMVODNFT,UALWATNHSA,N,TG(16:0/20:1(11Z)/16:1(9Z)),GPGKDCQMVODNFT-UALWATNHSA-N
HMDB44144,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,54H,4-19,21-22,24,26,28-53H2,1-3H3/b23-20-,27-25-/t54-/m0/s1",NPPUBJWXPUGELV,NQVVYBPZSA,N,TG(16:0/20:1(11Z)/18:1(11Z)),NPPUBJWXPUGELV-NQVVYBPZSA-N
HMDB44145,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-27,29,54H,4-24,28,30-53H2,1-3H3/b27-25-,29-26-/t54-/m0/s1",YVPPDSNZJJJGGE,VMQTVZDXSA,N,TG(16:0/20:1(11Z)/18:1(9Z)),YVPPDSNZJJJGGE-VMQTVZDXSA-N
HMDB44147,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31,34,40,43,56H,4-24,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b27-25-,28-26-,34-31-,43-40-/t56-/m0/s1",TYHLXBRQTCNQRV,BJIRUDDNSA,N,"TG(16:0/20:1(11Z)/20:3(5Z,8Z,11Z))",TYHLXBRQTCNQRV-BJIRUDDNSA-N
HMDB44148,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,58H,4-24,29-57H2,1-3H3/b27-25-,28-26-/t58-/m0/s1",KAAHBDXVVGSEAD,QWUUBBNBSA,N,TG(16:0/20:1(11Z)/22:1(13Z)),KAAHBDXVVGSEAD-QWUUBBNBSA-N
HMDB44149,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25-28,60H,4-24,29-59H2,1-3H3/b27-25-,28-26-/t60-/m0/s1",YADRKXZELPOCPI,UXCFDMNKSA,N,TG(16:0/20:1(11Z)/24:1(15Z)),YADRKXZELPOCPI-UXCFDMNKSA-N
HMDB44150,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,54H,4-16,18-19,21-24,28,30-53H2,1-3H3/b20-17-,27-25-,29-26-/t54-/m0/s1",XAMNFTPGEKLFFB,ZWFWDJCYSA,N,"TG(16:0/20:1(11Z)/18:2(9Z,12Z))",XAMNFTPGEKLFFB-ZWFWDJCYSA-N
HMDB44151,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,35,38,54H,4-16,18-19,21-24,28,30-34,36-37,39-53H2,1-3H3/b20-17-,27-25-,29-26-,38-35-/t54-/m0/s1",DACIDRBKCGJUFT,ARHXLKQZSA,N,"TG(16:0/20:1(11Z)/18:3(6Z,9Z,12Z))",DACIDRBKCGJUFT-ARHXLKQZSA-N
HMDB44152,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,56H,4-15,17-18,20-24,29-55H2,1-3H3/b19-16-,27-25-,28-26-/t56-/m0/s1",WDOXUTOLOCAEGX,GJSHXEBWSA,N,TG(16:0/20:1(11Z)/20:2n6),WDOXUTOLOCAEGX-GJSHXEBWSA-N
HMDB44153,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,34,56H,4-15,17-18,20-24,29-30,32-33,35-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-/t56-/m0/s1",WZLIKVKSMWVEEZ,BELRECPFSA,N,TG(16:0/20:1(11Z)/20:3n6),WZLIKVKSMWVEEZ-BELRECPFSA-N
HMDB44155,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,58H,4-15,17-18,20-24,29-57H2,1-3H3/b19-16-,27-25-,28-26-/t58-/m0/s1",VOQAPCORCIBANS,GBEOITIKSA,N,"TG(16:0/20:1(11Z)/22:2(13Z,16Z))",VOQAPCORCIBANS-GBEOITIKSA-N
HMDB44156,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,58H,4-15,17-18,20-24,29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-/t58-/m0/s1",CRLFGNHEFRZUBL,UVRJYGBXSA,N,"TG(16:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",CRLFGNHEFRZUBL-UVRJYGBXSA-N
HMDB44157,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,45,48,58H,4-15,17-18,20-24,29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-,48-45-/t58-/m0/s1",OWHVFRPEIFYGQV,GXJMIHDBSA,N,"TG(16:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OWHVFRPEIFYGQV-GXJMIHDBSA-N
HMDB44158,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,54H,4-7,9-10,12-16,18-19,21-24,28,30-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-/t54-/m0/s1",PZLANHYIZMKDPR,KKELCOOUSA,N,"TG(16:0/20:1(11Z)/18:3(9Z,12Z,15Z))",PZLANHYIZMKDPR-KKELCOOUSA-N
HMDB44159,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,35,38,54H,4-7,9-10,12-16,18-19,21-24,28,30-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,38-35-/t54-/m0/s1",DFOGLEBUXTZMDU,MDCWYYKHSA,N,"TG(16:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",DFOGLEBUXTZMDU-MDCWYYKHSA-N
HMDB44160,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,34,56H,4-6,8-9,11-15,17-18,20-24,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-/t56-/m0/s1",VVFUTNGESYAGQD,ZESNGVRWSA,N,"TG(16:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",VVFUTNGESYAGQD-ZESNGVRWSA-N
HMDB44161,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1",SSGHUNZCTBPNHZ,MVFWDCOXSA,N,"TG(16:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SSGHUNZCTBPNHZ-MVFWDCOXSA-N
HMDB44162,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-/t58-/m0/s1",MHJKBJNQJSWYKS,GUOLTCCXSA,N,"TG(16:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MHJKBJNQJSWYKS-GUOLTCCXSA-N
HMDB44163,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-,48-45-/t58-/m0/s1",QDZQUSTVIIXAHE,FVLQBGOOSA,N,"TG(16:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QDZQUSTVIIXAHE-FVLQBGOOSA-N
HMDB44164,874.835326642,C57H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m1/s1",COSWJIZWAODXNP,DGWQIHMPSA,N,TG(16:0/20:1(11Z)/o-18:0),COSWJIZWAODXNP-DGWQIHMPSA-N
HMDB44165,856.751990932,C55H100O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h25-26,28,31,37,40,52H,4-24,27,29-30,32-36,38-39,41-51H2,1-3H3/b26-25-,31-28-,40-37-",WQVLEJVLEGNDEG,SHFOZATNSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/16:0)",WQVLEJVLEGNDEG-SHFOZATNSA-N
HMDB44166,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27,30,33,39,42,54H,4-24,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b27-25-,33-30-,42-39-/t54-/m0/s1",LTJDBKBPSJHJDU,NGKPHMPMSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/18:0)",LTJDBKBPSJHJDU-NGKPHMPMSA-N
HMDB44167,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,32,35,41,44,56H,4-25,27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b28-26-,35-32-,44-41-/t56-/m0/s1",KZFYTHGNDZBBIB,VPJXDSOHSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/20:0)",KZFYTHGNDZBBIB-VPJXDSOHSA-N
HMDB44168,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,34,37,43,46,58H,4-25,27,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b28-26-,37-34-,46-43-/t58-/m0/s1",XYIPDNMNPDTONZ,FIMOYKNJSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/22:0)",XYIPDNMNPDTONZ-FIMOYKNJSA-N
HMDB44169,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h26,28,36,39,45,48,60H,4-25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b28-26-,39-36-,48-45-/t60-/m0/s1",UJMUINYNSNMHQZ,WXECGWRZSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/24:0)",UJMUINYNSNMHQZ-WXECGWRZSA-N
HMDB44170,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,24-25,27,29,35,38,50H,4-14,16-17,19-23,26,28,30-34,36-37,39-49H2,1-3H3/b18-15-,25-24-,29-27-,38-35-/t50-/m1/s1",LKWRKLOTFPSBMY,OOSBIOLNSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/14:1(9Z))",LKWRKLOTFPSBMY-OOSBIOLNSA-N
HMDB44171,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20,23,25-26,28,31,37,40,52H,4-19,21-22,24,27,29-30,32-36,38-39,41-51H2,1-3H3/b23-20-,26-25-,31-28-,40-37-/t52-/m1/s1",WXQUIFZGYWDBHY,VORIAUPESA,N,"TG(16:0/20:3(5Z,8Z,11Z)/16:1(9Z))",WXQUIFZGYWDBHY-VORIAUPESA-N
HMDB44172,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30,33,39,42,54H,4-19,21-22,24,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b23-20-,27-25-,33-30-,42-39-/t54-/m0/s1",MLAOSVRSJAVRAU,BTWJNDKWSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/18:1(11Z))",MLAOSVRSJAVRAU-BTWJNDKWSA-N
HMDB44173,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,33,39,42,54H,4-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",KUYUHOFPMWBZLG,LIZDPAILSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/18:1(9Z))",KUYUHOFPMWBZLG-LIZDPAILSA-N
HMDB44174,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,32,35,41,44,56H,4-24,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",QEHQJSFGWDIZQL,CJYJPURDSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/20:1(11Z))",QEHQJSFGWDIZQL-CJYJPURDSA-N
HMDB44175,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31-32,34-35,40-41,43-44,56H,4-24,29-30,33,36-39,42,45-55H2,1-3H3/b27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",JTCJGTPSPBJUBS,SOFXMSPRSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",JTCJGTPSPBJUBS-SOFXMSPRSA-N
HMDB44176,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,34,37,43,46,58H,4-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b27-25-,28-26-,37-34-,46-43-/t58-/m0/s1",FEPAFMXZJSAXNQ,WEHGMCGESA,N,"TG(16:0/20:3(5Z,8Z,11Z)/22:1(13Z))",FEPAFMXZJSAXNQ-WEHGMCGESA-N
HMDB44177,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25-28,36,39,45,48,60H,4-24,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b27-25-,28-26-,39-36-,48-45-/t60-/m0/s1",UDLIAKHQDWRPKP,NNSHHAFBSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/24:1(15Z))",UDLIAKHQDWRPKP-NNSHHAFBSA-N
HMDB44178,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,33,39,42,54H,4-16,18-19,21-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b20-17-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",JDYQORQUIVEAPP,NYXGXXPCSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",JDYQORQUIVEAPP-NYXGXXPCSA-N
HMDB44179,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,33,35,38-39,42,54H,4-16,18-19,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b20-17-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",VWDBUORCZVHONI,YZTAWGJESA,N,"TG(16:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",VWDBUORCZVHONI-YZTAWGJESA-N
HMDB44180,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,32,35,41,44,56H,4-15,17-18,20-24,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",FWEMGTJRIAKBHM,QYSPYWIYSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/20:2n6)",FWEMGTJRIAKBHM-QYSPYWIYSA-N
HMDB44181,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-32,34-35,41,44,56H,4-15,17-18,20-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",IOSKCNPYAKYUBJ,KAWOXRNDSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/20:3n6)",IOSKCNPYAKYUBJ-KAWOXRNDSA-N
HMDB44182,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-32,34-35,40-41,43-44,56H,4-15,17-18,20-24,29-30,33,36-39,42,45-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",DIIDLVZFOOOMIF,GGIYIAMGSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",DIIDLVZFOOOMIF-GGIYIAMGSA-N
HMDB44183,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,34,37,43,46,58H,4-15,17-18,20-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,27-25-,28-26-,37-34-,46-43-/t58-/m0/s1",MUIYDPUNPOFEKD,YQROSAQCSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",MUIYDPUNPOFEKD-YQROSAQCSA-N
HMDB44184,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,34,36-37,39,43,46,58H,4-15,17-18,20-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",WPSSTFWMDNHDJR,QNFWLZAOSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",WPSSTFWMDNHDJR-QNFWLZAOSA-N
HMDB44185,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-15,17-18,20-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",SYYHIXDOQLQGGI,OJBTWIBRSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SYYHIXDOQLQGGI-OJBTWIBRSA-N
HMDB44186,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,33,39,42,54H,4-7,9-10,12-16,18-19,21-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",IEOHRIAVLLVVPI,LKTRXMPZSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",IEOHRIAVLLVVPI-LKTRXMPZSA-N
HMDB44187,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,33,35,38-39,42,54H,4-7,9-10,12-16,18-19,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",DJVHBUMYURSBTG,MDSNQCPGSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",DJVHBUMYURSBTG-MDSNQCPGSA-N
HMDB44188,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-32,34-35,41,44,56H,4-6,8-9,11-15,17-18,20-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",WPOTWZWCJSINBM,PNSIZBLYSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",WPOTWZWCJSINBM-PNSIZBLYSA-N
HMDB44189,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-32,34-35,40-41,43-44,56H,4-6,8-9,11-15,17-18,20-24,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",BPVSYXPQKKPIQZ,SCNRBCAMSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BPVSYXPQKKPIQZ-SCNRBCAMSA-N
HMDB44190,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,34,36-37,39,43,46,58H,4-6,8-9,11-15,17-18,20-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",PFWYYLHHPVETRC,FPYQJJABSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PFWYYLHHPVETRC-FPYQJJABSA-N
HMDB44191,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,8-9,11-15,17-18,20-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",RRYOZZVNRPBUGU,GXLWCLMHSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RRYOZZVNRPBUGU-GXLWCLMHSA-N
HMDB44192,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,33,39,42,55H,4-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b27-25-,33-30-,42-39-/t55-/m1/s1",YJWYQQFOJUDNJP,HLXYMFJYSA,N,"TG(16:0/20:3(5Z,8Z,11Z)/o-18:0)",YJWYQQFOJUDNJP-HLXYMFJYSA-N
HMDB44193,888.814591188,C57H108O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h25-26,54H,4-24,27-53H2,1-3H3/b26-25-",AODXXMPHCMURJU,QPLCGJKRSA,N,TG(16:0/22:1(13Z)/16:0),AODXXMPHCMURJU-QPLCGJKRSA-N
HMDB44194,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m0/s1",LOEVQQYBQLFELJ,WOGGMIHASA,N,TG(16:0/22:1(13Z)/18:0),LOEVQQYBQLFELJ-WOGGMIHASA-N
HMDB44195,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m0/s1",PMHQKLRVMIZMMI,YLFQOLFFSA,N,TG(16:0/22:1(13Z)/20:0),PMHQKLRVMIZMMI-YLFQOLFFSA-N
HMDB44196,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,60H,4-25,27,29-59H2,1-3H3/b28-26-/t60-/m0/s1",ANOUVNADVQFHPD,NVOZVBLZSA,N,TG(16:0/22:1(13Z)/22:0),ANOUVNADVQFHPD-NVOZVBLZSA-N
HMDB44197,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,62H,4-25,27,29-61H2,1-3H3/b28-26-/t62-/m0/s1",TUMQBZNRBUFQMD,DVLIBLGESA,N,TG(16:0/22:1(13Z)/24:0),TUMQBZNRBUFQMD-DVLIBLGESA-N
HMDB44198,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,24-25,52H,4-14,16-17,19-23,26-51H2,1-3H3/b18-15-,25-24-/t52-/m1/s1",FGLAOIBRENAOFN,ZEIMJZJCSA,N,TG(16:0/22:1(13Z)/14:1(9Z)),FGLAOIBRENAOFN-ZEIMJZJCSA-N
HMDB44199,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20,23,25-26,54H,4-19,21-22,24,27-53H2,1-3H3/b23-20-,26-25-/t54-/m1/s1",OHIPQOVSAYMWKS,IYBXSEAUSA,N,TG(16:0/22:1(13Z)/16:1(9Z)),OHIPQOVSAYMWKS-IYBXSEAUSA-N
HMDB44200,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20,23,25,27,56H,4-19,21-22,24,26,28-55H2,1-3H3/b23-20-,27-25-/t56-/m0/s1",UBCKVROCLDZVDL,JSPVYFJMSA,N,TG(16:0/22:1(13Z)/18:1(11Z)),UBCKVROCLDZVDL-JSPVYFJMSA-N
HMDB44201,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h25-27,31,56H,4-24,28-30,32-55H2,1-3H3/b27-25-,31-26-/t56-/m0/s1",XFLBIJMMCSCPBO,ZFWLCYAFSA,N,TG(16:0/22:1(13Z)/18:1(9Z)),XFLBIJMMCSCPBO-ZFWLCYAFSA-N
HMDB44202,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,58H,4-24,29-57H2,1-3H3/b27-25-,28-26-/t58-/m0/s1",XWHMTYPOWZWZQD,QWUUBBNBSA,N,TG(16:0/22:1(13Z)/20:1(11Z)),XWHMTYPOWZWZQD-QWUUBBNBSA-N
HMDB44203,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,33,36,42,45,58H,4-24,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b27-25-,28-26-,36-33-,45-42-/t58-/m0/s1",SMBSCRUSQBQPKE,CJUHTPNFSA,N,"TG(16:0/22:1(13Z)/20:3(5Z,8Z,11Z))",SMBSCRUSQBQPKE-CJUHTPNFSA-N
HMDB44204,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,60H,4-24,29-59H2,1-3H3/b27-25-,28-26-/t60-/m0/s1",QVXASAXDWWFXGC,UXCFDMNKSA,N,TG(16:0/22:1(13Z)/22:1(13Z)),QVXASAXDWWFXGC-UXCFDMNKSA-N
HMDB44205,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,62H,4-24,29-61H2,1-3H3/b27-25-,28-26-/t62-/m0/s1",LJKYNVOZDWLTIE,GLBIFRBTSA,N,TG(16:0/22:1(13Z)/24:1(15Z)),LJKYNVOZDWLTIE-GLBIFRBTSA-N
HMDB44206,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,56H,4-16,18-19,21-24,28-30,32-55H2,1-3H3/b20-17-,27-25-,31-26-/t56-/m0/s1",VCXFLYWYNHWJJD,WEHRBAHLSA,N,"TG(16:0/22:1(13Z)/18:2(9Z,12Z))",VCXFLYWYNHWJJD-WEHRBAHLSA-N
HMDB44207,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,37,40,56H,4-16,18-19,21-24,28-30,32-36,38-39,41-55H2,1-3H3/b20-17-,27-25-,31-26-,40-37-/t56-/m0/s1",WGSJJJSLKMOIHY,CNRWEKDRSA,N,"TG(16:0/22:1(13Z)/18:3(6Z,9Z,12Z))",WGSJJJSLKMOIHY-CNRWEKDRSA-N
HMDB44208,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,58H,4-16,18-19,21-24,29-57H2,1-3H3/b20-17-,27-25-,28-26-/t58-/m0/s1",XNXYVFSTYMBATM,GDBNEEMHSA,N,TG(16:0/22:1(13Z)/20:2n6),XNXYVFSTYMBATM-GDBNEEMHSA-N
HMDB44209,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,58H,4-16,18-19,21-24,29-32,34-35,37-57H2,1-3H3/b20-17-,27-25-,28-26-,36-33-/t58-/m0/s1",ZHTYGSYTHOBYHT,YMNXCIPXSA,N,TG(16:0/22:1(13Z)/20:3n6),ZHTYGSYTHOBYHT-YMNXCIPXSA-N
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HMDB44232,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,62H,4-24,29-61H2,1-3H3/b27-25-,28-26-/t62-/m0/s1",SQQBWCONNAEPBP,GLBIFRBTSA,N,TG(16:0/24:1(15Z)/22:1(13Z)),SQQBWCONNAEPBP-GLBIFRBTSA-N
HMDB44233,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,64H,4-24,29-63H2,1-3H3/b27-25-,28-26-/t64-/m0/s1",OUQPAUWRJFHZBY,NPEQYJBCSA,N,TG(16:0/24:1(15Z)/24:1(15Z)),OUQPAUWRJFHZBY-NPEQYJBCSA-N
HMDB44234,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,58H,4-16,18-19,21-24,28-32,34-57H2,1-3H3/b20-17-,27-25-,33-26-/t58-/m0/s1",LFNFVWNJHQPLPQ,UCCVKISPSA,N,"TG(16:0/24:1(15Z)/18:2(9Z,12Z))",LFNFVWNJHQPLPQ-UCCVKISPSA-N
HMDB44235,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,39,42,58H,4-16,18-19,21-24,28-32,34-38,40-41,43-57H2,1-3H3/b20-17-,27-25-,33-26-,42-39-/t58-/m0/s1",LBDYWQQOJYAVLA,GLZKPLCBSA,N,"TG(16:0/24:1(15Z)/18:3(6Z,9Z,12Z))",LBDYWQQOJYAVLA-GLZKPLCBSA-N
HMDB44236,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,60H,4-16,18-19,21-24,29-59H2,1-3H3/b20-17-,27-25-,28-26-/t60-/m0/s1",VPQTUUYLDJYFBX,CWTLSIQGSA,N,TG(16:0/24:1(15Z)/20:2n6),VPQTUUYLDJYFBX-CWTLSIQGSA-N
HMDB44237,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,38,60H,4-16,18-19,21-24,29-34,36-37,39-59H2,1-3H3/b20-17-,27-25-,28-26-,38-35-/t60-/m0/s1",DHTOKABCIVEDQY,DZZHONAISA,N,TG(16:0/24:1(15Z)/20:3n6),DHTOKABCIVEDQY-DZZHONAISA-N
HMDB44238,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,38,44,47,60H,4-16,18-19,21-24,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,27-25-,28-26-,38-35-,47-44-/t60-/m0/s1",QEVBZWCDAZFBQV,SMZSYAKRSA,N,"TG(16:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",QEVBZWCDAZFBQV-SMZSYAKRSA-N
HMDB44239,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,62H,4-16,18-19,21-24,29-61H2,1-3H3/b20-17-,27-25-,28-26-/t62-/m0/s1",OIYGREDAMPYRLR,OYTHAVKRSA,N,"TG(16:0/24:1(15Z)/22:2(13Z,16Z))",OIYGREDAMPYRLR-OYTHAVKRSA-N
HMDB44240,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,40,43,62H,4-16,18-19,21-24,29-32,34,36-39,41-42,44-61H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,43-40-/t62-/m0/s1",IBQSOLNNRDCDTB,INBGXATBSA,N,"TG(16:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",IBQSOLNNRDCDTB-INBGXATBSA-N
HMDB44241,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,40,43,49,52,62H,4-16,18-19,21-24,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,43-40-,52-49-/t62-/m0/s1",HRYYWCCKZYXUEE,WOUXFMKYSA,N,"TG(16:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HRYYWCCKZYXUEE-WOUXFMKYSA-N
HMDB44242,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-/t58-/m0/s1",MSRILFYVWJWHRM,KEEBEWHXSA,N,"TG(16:0/24:1(15Z)/18:3(9Z,12Z,15Z))",MSRILFYVWJWHRM-KEEBEWHXSA-N
HMDB44243,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,39,42,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,42-39-/t58-/m0/s1",WTLLBSJPDWFNLD,YPSUOATPSA,N,"TG(16:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",WTLLBSJPDWFNLD-YPSUOATPSA-N
HMDB44244,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,38,60H,4-7,9-10,12-16,18-19,21-24,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-35-/t60-/m0/s1",BVHNZHCDCIVCNP,WVMHVIIJSA,N,"TG(16:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",BVHNZHCDCIVCNP-WVMHVIIJSA-N
HMDB44245,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,38,44,47,60H,4-7,9-10,12-16,18-19,21-24,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-35-,47-44-/t60-/m0/s1",IAQHPRCGXYWKRC,HHOCZDFESA,N,"TG(16:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IAQHPRCGXYWKRC-HHOCZDFESA-N
HMDB44246,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,40,43,62H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-39,41-42,44-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,43-40-/t62-/m0/s1",QGGJNOROARBKTJ,LRWFQWJNSA,N,"TG(16:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QGGJNOROARBKTJ-LRWFQWJNSA-N
HMDB44247,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,40,43,49,52,62H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,43-40-,52-49-/t62-/m0/s1",LBIIUBQNYQIBIU,OBQQTYKZSA,N,"TG(16:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LBIIUBQNYQIBIU-OBQQTYKZSA-N
HMDB44248,930.8979269,C61H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-59(58-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-/t59-/m1/s1",ZIBZSPDKUSLSCH,FUFLWFNLSA,N,TG(16:0/24:1(15Z)/o-18:0),ZIBZSPDKUSLSCH-FUFLWFNLSA-N
HMDB44249,830.736340876,C53H98O6,[H]C(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16-,26-25-",HTGAUBMLVQRATC,DHSNEXAOSA,N,"TG(16:0/18:2(9Z,12Z)/16:0)",HTGAUBMLVQRATC-DHSNEXAOSA-N
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HMDB44252,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,56H,4-16,18-19,21-25,27-30,32-55H2,1-3H3/b20-17-,31-26-/t56-/m0/s1",PUMLPWHNOMWLFJ,SQWTXUHUSA,N,"TG(16:0/18:2(9Z,12Z)/22:0)",PUMLPWHNOMWLFJ-SQWTXUHUSA-N
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HMDB44254,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,48H,4-14,17,20-23,26-47H2,1-3H3/b18-15-,19-16-,25-24-/t48-/m1/s1",CXAAJHKSIUZIEE,MIELHLGDSA,N,"TG(16:0/18:2(9Z,12Z)/14:1(9Z))",CXAAJHKSIUZIEE-MIELHLGDSA-N
HMDB44255,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,50H,4-15,17-18,21-22,24,27-49H2,1-3H3/b19-16-,23-20-,26-25-/t50-/m1/s1",KFXLBUQYHATABE,GEGXPIGRSA,N,"TG(16:0/18:2(9Z,12Z)/16:1(9Z))",KFXLBUQYHATABE-GEGXPIGRSA-N
HMDB44256,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26,28,52H,4-16,18,21,23-25,27,29-51H2,1-3H3/b20-17-,22-19-,28-26-/t52-/m0/s1",RVLMVUOWVUUAHL,GILRTCDASA,N,"TG(16:0/18:2(9Z,12Z)/18:1(11Z))",RVLMVUOWVUUAHL-GILRTCDASA-N
HMDB44257,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,52H,4-16,18-19,21-24,29-51H2,1-3H3/b20-17-,27-25-,28-26-/t52-/m0/s1",ZDZVWVCNWRMGLA,PMFKTATHSA,N,"TG(16:0/18:2(9Z,12Z)/18:1(9Z))",ZDZVWVCNWRMGLA-PMFKTATHSA-N
HMDB44259,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32,38,41,54H,4-16,18-19,21-24,28,31,33-37,39-40,42-53H2,1-3H3/b20-17-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",MTMTXYXQGBCYCD,COANCLEKSA,N,"TG(16:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",MTMTXYXQGBCYCD-COANCLEKSA-N
HMDB44260,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,56H,4-16,18-19,21-24,28-30,32-55H2,1-3H3/b20-17-,27-25-,31-26-/t56-/m0/s1",JMEWKJVFUDVSSE,WEHRBAHLSA,N,"TG(16:0/18:2(9Z,12Z)/22:1(13Z))",JMEWKJVFUDVSSE-WEHRBAHLSA-N
HMDB44261,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,58H,4-16,18-19,21-24,28-32,34-57H2,1-3H3/b20-17-,27-25-,33-26-/t58-/m0/s1",NQZTVKYDVUQPPX,UCCVKISPSA,N,"TG(16:0/18:2(9Z,12Z)/24:1(15Z))",NQZTVKYDVUQPPX-UCCVKISPSA-N
HMDB44263,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,52H,4-15,18,21-24,29-32,34-35,37-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-/t52-/m0/s1",PWAOXOJAJJJACV,MSFNIHOKSA,N,"TG(16:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",PWAOXOJAJJJACV-MSFNIHOKSA-N
HMDB44264,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,54H,4-15,18,21-24,28,30-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-/t54-/m0/s1",BAJHYMHNWFZWKC,BIBJHKLQSA,N,"TG(16:0/18:2(9Z,12Z)/20:2n6)",BAJHYMHNWFZWKC-BIBJHKLQSA-N
HMDB44265,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,54H,4-15,18,21-24,28,31,33-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-/t54-/m0/s1",UWIJLBUWLZZSBQ,GTMGOGLWSA,N,"TG(16:0/18:2(9Z,12Z)/20:3n6)",UWIJLBUWLZZSBQ-GTMGOGLWSA-N
HMDB44267,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,56H,4-15,18,21-24,28-30,32-55H2,1-3H3/b19-16-,20-17-,27-25-,31-26-/t56-/m0/s1",GCLOYHOGPJQQOC,IQNIQERESA,N,"TG(16:0/18:2(9Z,12Z)/22:2(13Z,16Z))",GCLOYHOGPJQQOC-IQNIQERESA-N
HMDB44268,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,37,56H,4-15,18,21-24,28,32-33,35-36,38-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-/t56-/m0/s1",AHWNOAGNHSGYCM,XBMWPHDXSA,N,"TG(16:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",AHWNOAGNHSGYCM-XBMWPHDXSA-N
HMDB44269,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,37,43,46,56H,4-15,18,21-24,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-/t56-/m0/s1",VSKVHLPOXYHIBK,QUILDEMMSA,N,"TG(16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VSKVHLPOXYHIBK-QUILDEMMSA-N
HMDB44270,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,52H,4-6,8-9,11-15,18,21-24,29-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-/t52-/m0/s1",MVAGPZSVOSGBMR,BZMDPMQBSA,N,"TG(16:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",MVAGPZSVOSGBMR-BZMDPMQBSA-N
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HMDB44272,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,54H,4-6,8-9,11-15,18,21-24,28,31,33-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-/t54-/m0/s1",NPELAMJIYLFQEL,MNIRGBANSA,N,"TG(16:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",NPELAMJIYLFQEL-MNIRGBANSA-N
HMDB44273,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,38,41,54H,4-6,8-9,11-15,18,21-24,28,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",RTHDUZGGPUMUEU,JGDJVTPUSA,N,"TG(16:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RTHDUZGGPUMUEU-JGDJVTPUSA-N
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HMDB44275,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,37,43,46,56H,4-6,8-9,11-15,18,21-24,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-/t56-/m0/s1",RDZINTYLBOTMAU,CQEMWSBKSA,N,"TG(16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RDZINTYLBOTMAU-CQEMWSBKSA-N
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HMDB44278,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,37,52H,4-16,18-19,21-25,27,29-33,35-36,38-51H2,1-3H3/b20-17-,28-26-,37-34-/t52-/m0/s1",MZFQLGNBXGADLH,MLWHVYFWSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/18:0)",MZFQLGNBXGADLH-MLWHVYFWSA-N
HMDB44279,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,54H,4-16,18-19,21-25,27-28,30-35,37-38,40-53H2,1-3H3/b20-17-,29-26-,39-36-/t54-/m0/s1",SAKURFWWZUPUGR,DVWKUQODSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/20:0)",SAKURFWWZUPUGR-DVWKUQODSA-N
HMDB44280,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,38,41,56H,4-16,18-19,21-25,27-30,32-37,39-40,42-55H2,1-3H3/b20-17-,31-26-,41-38-/t56-/m0/s1",DRWIVJVRVPBHJG,ISOHVXQSSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/22:0)",DRWIVJVRVPBHJG-ISOHVXQSSA-N
HMDB44281,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,40,43,58H,4-16,18-19,21-25,27-32,34-39,41-42,44-57H2,1-3H3/b20-17-,33-26-,43-40-/t58-/m0/s1",GMEJJMCAXRRIOA,QQKBWDOYSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/24:0)",GMEJJMCAXRRIOA-QQKBWDOYSA-N
HMDB44282,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,30,33,48H,4-14,17,20-23,26-29,31-32,34-47H2,1-3H3/b18-15-,19-16-,25-24-,33-30-/t48-/m1/s1",HVYMAVYOYHRAHR,VIJIUOEUSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/14:1(9Z))",HVYMAVYOYHRAHR-VIJIUOEUSA-N
HMDB44283,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,32,35,50H,4-15,17-18,21-22,24,27-31,33-34,36-49H2,1-3H3/b19-16-,23-20-,26-25-,35-32-/t50-/m1/s1",ALHQZEHCWLIQKP,DYLOEZLYSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/16:1(9Z))",ALHQZEHCWLIQKP-DYLOEZLYSA-N
HMDB44284,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26,28,34,37,52H,4-16,18,21,23-25,27,29-33,35-36,38-51H2,1-3H3/b20-17-,22-19-,28-26-,37-34-/t52-/m0/s1",JFRLPOPJWZAGSS,WGFQLSMYSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/18:1(11Z))",JFRLPOPJWZAGSS-WGFQLSMYSA-N
HMDB44285,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,34,37,52H,4-16,18-19,21-24,29-33,35-36,38-51H2,1-3H3/b20-17-,27-25-,28-26-,37-34-/t52-/m0/s1",NIWKSLSJOSJESK,OWKUMMFDSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/18:1(9Z))",NIWKSLSJOSJESK-OWKUMMFDSA-N
HMDB44286,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,36,39,54H,4-16,18-19,21-24,28,30-35,37-38,40-53H2,1-3H3/b20-17-,27-25-,29-26-,39-36-/t54-/m0/s1",ATZQIXHEMLCJGM,UNBNYWLFSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/20:1(11Z))",ATZQIXHEMLCJGM-UNBNYWLFSA-N
HMDB44287,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32,36,38-39,41,54H,4-16,18-19,21-24,28,31,33-35,37,40,42-53H2,1-3H3/b20-17-,27-25-,29-26-,32-30-,39-36-,41-38-/t54-/m0/s1",YPRPXHKPNXRSPZ,QWGYBPIFSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",YPRPXHKPNXRSPZ-QWGYBPIFSA-N
HMDB44288,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,38,41,56H,4-16,18-19,21-24,28-30,32-37,39-40,42-55H2,1-3H3/b20-17-,27-25-,31-26-,41-38-/t56-/m0/s1",SYGZVPOWWMHXLV,UWQOGRBMSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/22:1(13Z))",SYGZVPOWWMHXLV-UWQOGRBMSA-N
HMDB44289,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,40,43,58H,4-16,18-19,21-24,28-32,34-39,41-42,44-57H2,1-3H3/b20-17-,27-25-,33-26-,43-40-/t58-/m0/s1",QHLALDPTQOIJFG,JBSJGAQESA,N,"TG(16:0/18:3(6Z,9Z,12Z)/24:1(15Z))",QHLALDPTQOIJFG-JBSJGAQESA-N
HMDB44290,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,34,37,52H,4-15,18,21-24,29-33,35-36,38-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,37-34-/t52-/m0/s1",JJNQBKOWLBHGAW,VVKFIGISSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",JJNQBKOWLBHGAW-VVKFIGISSA-N
HMDB44291,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33-34,36-37,52H,4-15,18,21-24,29-32,35,38-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-,37-34-/t52-/m0/s1",GACNZDCOYMMJND,RGNDZNKWSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",GACNZDCOYMMJND-RGNDZNKWSA-N
HMDB44292,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,36,39,54H,4-15,18,21-24,28,30-35,37-38,40-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,39-36-/t54-/m0/s1",OLDVVLPHLVANLD,WPBMEDNOSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/20:2n6)",OLDVVLPHLVANLD-WPBMEDNOSA-N
HMDB44293,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,36,39,54H,4-15,18,21-24,28,31,33-35,37-38,40-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,39-36-/t54-/m0/s1",GPWKFLDDTKOSOY,IONMDZBYSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/20:3n6)",GPWKFLDDTKOSOY-IONMDZBYSA-N
HMDB44294,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,36,38-39,41,54H,4-15,18,21-24,28,31,33-35,37,40,42-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,39-36-,41-38-/t54-/m0/s1",AOUVMSYVAXWUTL,KQRALROZSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",AOUVMSYVAXWUTL-KQRALROZSA-N
HMDB44295,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,38,41,56H,4-15,18,21-24,28-30,32-37,39-40,42-55H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,41-38-/t56-/m0/s1",FDMACRGZFIRXTA,VPPIGKLHSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",FDMACRGZFIRXTA-VPPIGKLHSA-N
HMDB44296,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,37-38,41,56H,4-15,18,21-24,28,32-33,35-36,39-40,42-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-/t56-/m0/s1",HGVSSPXKYSCMSX,RZKWCJLKSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",HGVSSPXKYSCMSX-RZKWCJLKSA-N
HMDB44297,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,37-38,41,43,46,56H,4-15,18,21-24,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-/t56-/m0/s1",AKSIYMZPTJCFDH,ZEMKVNPASA,N,"TG(16:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AKSIYMZPTJCFDH-ZEMKVNPASA-N
HMDB44298,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,34,37,52H,4-6,8-9,11-15,18,21-24,29-33,35-36,38-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,37-34-/t52-/m0/s1",UUODJDDTCVAHOG,USPFDPTKSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",UUODJDDTCVAHOG-USPFDPTKSA-N
HMDB44299,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,33-34,36-37,52H,4-6,8-9,11-15,18,21-24,29-32,35,38-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,36-33-,37-34-/t52-/m0/s1",KPERVTDKUHQJPA,PWNHBTQWSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",KPERVTDKUHQJPA-PWNHBTQWSA-N
HMDB44300,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,36,39,54H,4-6,8-9,11-15,18,21-24,28,31,33-35,37-38,40-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-/t54-/m0/s1",WLCBPYJIMMCJQE,KFSXXQIYSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",WLCBPYJIMMCJQE-KFSXXQIYSA-N
HMDB44301,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,36,38-39,41,54H,4-6,8-9,11-15,18,21-24,28,31,33-35,37,40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-,41-38-/t54-/m0/s1",MLMMWEQUUKJWQX,VOLMLRHSSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MLMMWEQUUKJWQX-VOLMLRHSSA-N
HMDB44302,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,37-38,41,56H,4-6,8-9,11-15,18,21-24,28,32-33,35-36,39-40,42-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-/t56-/m0/s1",UTSJMBXFBURNAR,KFYZGISDSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UTSJMBXFBURNAR-KFYZGISDSA-N
HMDB44303,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,37-38,41,43,46,56H,4-6,8-9,11-15,18,21-24,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-/t56-/m0/s1",XSSYPDIVPNHTQU,ADWBSRJNSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XSSYPDIVPNHTQU-ADWBSRJNSA-N
HMDB44304,842.772726384,C55H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,37,53H,4-16,18-19,21-25,27,29-33,35-36,38-52H2,1-3H3/b20-17-,28-26-,37-34-/t53-/m1/s1",VZKXYDJCNAJPJQ,SISXPTMWSA,N,"TG(16:0/18:3(6Z,9Z,12Z)/o-18:0)",VZKXYDJCNAJPJQ-SISXPTMWSA-N
HMDB44305,858.767641004,C55H102O6,[H]C(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h16,19,25-26,52H,4-15,17-18,20-24,27-51H2,1-3H3/b19-16-,26-25-",XOIMINKCQJVYIN,DHSNEXAOSA,N,TG(16:0/20:2n6/16:0),XOIMINKCQJVYIN-DHSNEXAOSA-N
HMDB44306,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,54H,4-15,17-18,20-24,26,28-53H2,1-3H3/b19-16-,27-25-/t54-/m0/s1",FGCHJWQYCGKZDI,LFLBGDHZSA,N,TG(16:0/20:2n6/18:0),FGCHJWQYCGKZDI-LFLBGDHZSA-N
HMDB44307,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,56H,4-16,18-19,21-25,27,29-55H2,1-3H3/b20-17-,28-26-/t56-/m0/s1",BMVWCBZVEZTSPY,AZGWCIJJSA,N,TG(16:0/20:2n6/20:0),BMVWCBZVEZTSPY-AZGWCIJJSA-N
HMDB44308,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,58H,4-16,18-19,21-25,27,29-57H2,1-3H3/b20-17-,28-26-/t58-/m0/s1",BWOWEFRYVHJNEP,FLJSPLEDSA,N,TG(16:0/20:2n6/22:0),BWOWEFRYVHJNEP-FLJSPLEDSA-N
HMDB44309,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,60H,4-16,18-19,21-25,27,29-59H2,1-3H3/b20-17-,28-26-/t60-/m0/s1",DWYQYYDRIUNZMR,KOGOAZCMSA,N,TG(16:0/20:2n6/24:0),DWYQYYDRIUNZMR-KOGOAZCMSA-N
HMDB44310,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,50H,4-14,17,20-23,26-49H2,1-3H3/b18-15-,19-16-,25-24-/t50-/m1/s1",YLPVHRHCOTURGA,AWNZXJQSSA,N,TG(16:0/20:2n6/14:1(9Z)),YLPVHRHCOTURGA-AWNZXJQSSA-N
HMDB44311,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,52H,4-15,17-18,21-22,24,27-51H2,1-3H3/b19-16-,23-20-,26-25-/t52-/m1/s1",KJRMVHBWNRWOEF,MXGVSXRBSA,N,TG(16:0/20:2n6/16:1(9Z)),KJRMVHBWNRWOEF-MXGVSXRBSA-N
HMDB44312,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,54H,4-15,17-18,21-22,24,26,28-53H2,1-3H3/b19-16-,23-20-,27-25-/t54-/m0/s1",PRBCKTCEVWJEPN,VXLYYTGTSA,N,TG(16:0/20:2n6/18:1(11Z)),PRBCKTCEVWJEPN-VXLYYTGTSA-N
HMDB44313,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29,54H,4-15,17-18,20-24,28,30-53H2,1-3H3/b19-16-,27-25-,29-26-/t54-/m0/s1",VEESJNIKHNLRCH,HLYOSYIHSA,N,TG(16:0/20:2n6/18:1(9Z)),VEESJNIKHNLRCH-HLYOSYIHSA-N
HMDB44314,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,56H,4-16,18-19,21-24,29-55H2,1-3H3/b20-17-,27-25-,28-26-/t56-/m0/s1",KXOMRQMOGSCBMI,RVCLRSEVSA,N,TG(16:0/20:2n6/20:1(11Z)),KXOMRQMOGSCBMI-RVCLRSEVSA-N
HMDB44315,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,31,34,40,43,56H,4-16,18-19,21-24,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b20-17-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1",NKJOZWSWYVUDGS,PHAZBSEUSA,N,"TG(16:0/20:2n6/20:3(5Z,8Z,11Z))",NKJOZWSWYVUDGS-PHAZBSEUSA-N
HMDB44316,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,58H,4-16,18-19,21-24,29-57H2,1-3H3/b20-17-,27-25-,28-26-/t58-/m0/s1",BRHLVPHCYUHFEL,GDBNEEMHSA,N,TG(16:0/20:2n6/22:1(13Z)),BRHLVPHCYUHFEL-GDBNEEMHSA-N
HMDB44317,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,60H,4-16,18-19,21-24,29-59H2,1-3H3/b20-17-,27-25-,28-26-/t60-/m0/s1",MZLDDMZGQIOQJK,CWTLSIQGSA,N,TG(16:0/20:2n6/24:1(15Z)),MZLDDMZGQIOQJK-CWTLSIQGSA-N
HMDB44318,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,54H,4-15,18,21-24,28,30-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-/t54-/m0/s1",SVXVJZXYYAEVSC,BIBJHKLQSA,N,"TG(16:0/20:2n6/18:2(9Z,12Z))",SVXVJZXYYAEVSC-BIBJHKLQSA-N
HMDB44319,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,35,38,54H,4-15,18,21-24,28,30-34,36-37,39-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,38-35-/t54-/m0/s1",IBAXOOZVZZDVJC,MEZLMXAOSA,N,"TG(16:0/20:2n6/18:3(6Z,9Z,12Z))",IBAXOOZVZZDVJC-MEZLMXAOSA-N
HMDB44320,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,56H,4-15,18,21-24,29-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t56-/m0/s1",FJGLYLXUUNKBIK,BUHNLEBYSA,N,TG(16:0/20:2n6/20:2n6),FJGLYLXUUNKBIK-BUHNLEBYSA-N
HMDB44321,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,34,56H,4-15,18,21-24,29-30,32-33,35-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-/t56-/m0/s1",ACCCNMZJSXMZKJ,LLKOVURDSA,N,TG(16:0/20:2n6/20:3n6),ACCCNMZJSXMZKJ-LLKOVURDSA-N
HMDB44322,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,34,40,43,56H,4-15,18,21-24,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1",KOKYYOZUDSMORZ,ZZWYBQJBSA,N,"TG(16:0/20:2n6/20:4(5Z,8Z,11Z,14Z))",KOKYYOZUDSMORZ-ZZWYBQJBSA-N
HMDB44323,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,58H,4-15,18,21-24,29-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t58-/m0/s1",WHIFVRILMXLGDQ,FASPCYNWSA,N,"TG(16:0/20:2n6/22:2(13Z,16Z))",WHIFVRILMXLGDQ-FASPCYNWSA-N
HMDB44324,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,36,39,58H,4-15,18,21-24,29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,39-36-/t58-/m0/s1",MNPQGYWFBQOMII,BEFGJIOWSA,N,"TG(16:0/20:2n6/22:4(7Z,10Z,13Z,16Z))",MNPQGYWFBQOMII-BEFGJIOWSA-N
HMDB44325,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,36,39,45,48,58H,4-15,18,21-24,29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,39-36-,48-45-/t58-/m0/s1",FPFIXGQDXQZTLJ,KDATZVDWSA,N,"TG(16:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",FPFIXGQDXQZTLJ-KDATZVDWSA-N
HMDB44326,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,54H,4-7,9-10,12-15,18,21-24,28,30-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-/t54-/m0/s1",MGWSKVYZBMTHNX,CGEWGDRRSA,N,"TG(16:0/20:2n6/18:3(9Z,12Z,15Z))",MGWSKVYZBMTHNX-CGEWGDRRSA-N
HMDB44327,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,35,38,54H,4-7,9-10,12-15,18,21-24,28,30-34,36-37,39-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,38-35-/t54-/m0/s1",TZYPWEJELGPYOI,WKUGMRIRSA,N,"TG(16:0/20:2n6/18:4(6Z,9Z,12Z,15Z))",TZYPWEJELGPYOI-WKUGMRIRSA-N
HMDB44328,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,34,56H,4-6,8-9,11-15,18,21-24,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-/t56-/m0/s1",PSJFHLLVVYEOMK,BXTYXBPDSA,N,"TG(16:0/20:2n6/20:4(8Z,11Z,14Z,17Z))",PSJFHLLVVYEOMK-BXTYXBPDSA-N
HMDB44329,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,34,40,43,56H,4-6,8-9,11-15,18,21-24,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1",IPMQLTCMNBVVQH,DQMKYOELSA,N,"TG(16:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",IPMQLTCMNBVVQH-DQMKYOELSA-N
HMDB44330,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,36,39,58H,4-6,8-9,11-15,18,21-24,29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,39-36-/t58-/m0/s1",LTBFWBOREYLGFR,RDVFYMLFSA,N,"TG(16:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",LTBFWBOREYLGFR-RDVFYMLFSA-N
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HMDB44332,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-/t55-/m1/s1",GQXOOPWZBYHHEH,RLIOHNKCSA,N,TG(16:0/20:2n6/o-18:0),GQXOOPWZBYHHEH-RLIOHNKCSA-N
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HMDB44334,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,54H,4-15,17-18,20-24,26,28-29,31-32,34-53H2,1-3H3/b19-16-,27-25-,33-30-/t54-/m0/s1",DAYIBGRSBOHJLY,YQUMZMGISA,N,TG(16:0/20:3n6/18:0),DAYIBGRSBOHJLY-YQUMZMGISA-N
HMDB44335,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,35,56H,4-16,18-19,21-25,27,29-31,33-34,36-55H2,1-3H3/b20-17-,28-26-,35-32-/t56-/m0/s1",RCOAANZWJJDHKO,MBSAHCCISA,N,TG(16:0/20:3n6/20:0),RCOAANZWJJDHKO-MBSAHCCISA-N
HMDB44336,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,37,58H,4-16,18-19,21-25,27,29-33,35-36,38-57H2,1-3H3/b20-17-,28-26-,37-34-/t58-/m0/s1",LJVYQJBNBHGZKG,YSSLWWDPSA,N,TG(16:0/20:3n6/22:0),LJVYQJBNBHGZKG-YSSLWWDPSA-N
HMDB44337,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,36,39,60H,4-16,18-19,21-25,27,29-35,37-38,40-59H2,1-3H3/b20-17-,28-26-,39-36-/t60-/m0/s1",SYHQDCMTVVZJSW,BXROAWAISA,N,TG(16:0/20:3n6/24:0),SYHQDCMTVVZJSW-BXROAWAISA-N
HMDB44338,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27,29,50H,4-14,17,20-23,26,28,30-49H2,1-3H3/b18-15-,19-16-,25-24-,29-27-/t50-/m1/s1",QGHMBTZEEQHOOE,YEIQNNBGSA,N,TG(16:0/20:3n6/14:1(9Z)),QGHMBTZEEQHOOE-YEIQNNBGSA-N
HMDB44339,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,28,31,52H,4-15,17-18,21-22,24,27,29-30,32-51H2,1-3H3/b19-16-,23-20-,26-25-,31-28-/t52-/m1/s1",QNQGESXCMFENPB,KMUGAKCDSA,N,TG(16:0/20:3n6/16:1(9Z)),QNQGESXCMFENPB-KMUGAKCDSA-N
HMDB44340,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,33,54H,4-15,17-18,21-22,24,26,28-29,31-32,34-53H2,1-3H3/b19-16-,23-20-,27-25-,33-30-/t54-/m0/s1",TWSBBIIUNDVTNF,GGGLHGFASA,N,TG(16:0/20:3n6/18:1(11Z)),TWSBBIIUNDVTNF-GGGLHGFASA-N
HMDB44341,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,33,54H,4-15,17-18,20-24,28,31-32,34-53H2,1-3H3/b19-16-,27-25-,29-26-,33-30-/t54-/m0/s1",MXWHOVSUVNCPAU,SSKDQPTCSA,N,TG(16:0/20:3n6/18:1(9Z)),MXWHOVSUVNCPAU-SSKDQPTCSA-N
HMDB44342,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,35,56H,4-16,18-19,21-24,29-31,33-34,36-55H2,1-3H3/b20-17-,27-25-,28-26-,35-32-/t56-/m0/s1",QVVDDQPGGDCPMG,WRTOWZHFSA,N,TG(16:0/20:3n6/20:1(11Z)),QVVDDQPGGDCPMG-WRTOWZHFSA-N
HMDB44343,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,31-32,34-35,40,43,56H,4-16,18-19,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b20-17-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m0/s1",JAPHARDKZYEIPU,SRFBRLQCSA,N,"TG(16:0/20:3n6/20:3(5Z,8Z,11Z))",JAPHARDKZYEIPU-SRFBRLQCSA-N
HMDB44344,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,34,37,58H,4-16,18-19,21-24,29-33,35-36,38-57H2,1-3H3/b20-17-,27-25-,28-26-,37-34-/t58-/m0/s1",RDMSBFYFWYXPOF,IDMQOVKCSA,N,TG(16:0/20:3n6/22:1(13Z)),RDMSBFYFWYXPOF-IDMQOVKCSA-N
HMDB44345,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,36,39,60H,4-16,18-19,21-24,29-35,37-38,40-59H2,1-3H3/b20-17-,27-25-,28-26-,39-36-/t60-/m0/s1",LEYNPNMAFNJINO,BVLBBFAFSA,N,TG(16:0/20:3n6/24:1(15Z)),LEYNPNMAFNJINO-BVLBBFAFSA-N
HMDB44346,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33,54H,4-15,18,21-24,28,31-32,34-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-/t54-/m0/s1",KHJFBIFHBBUBGL,NWQIFYSBSA,N,"TG(16:0/20:3n6/18:2(9Z,12Z))",KHJFBIFHBBUBGL-NWQIFYSBSA-N
HMDB44347,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33,35,38,54H,4-15,18,21-24,28,31-32,34,36-37,39-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,38-35-/t54-/m0/s1",UYIXDYQLUYKSBU,QPTZMZFZSA,N,"TG(16:0/20:3n6/18:3(6Z,9Z,12Z))",UYIXDYQLUYKSBU-QPTZMZFZSA-N
HMDB44348,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,35,56H,4-15,18,21-24,29-31,33-34,36-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-32-/t56-/m0/s1",XPGRSOADZCKXLI,GMIJQURUSA,N,TG(16:0/20:3n6/20:2n6),XPGRSOADZCKXLI-GMIJQURUSA-N
HMDB44349,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,56H,4-15,18,21-24,29-30,33,36-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-/t56-/m0/s1",IEFYSGXZIYBWNF,OTICDNTFSA,N,TG(16:0/20:3n6/20:3n6),IEFYSGXZIYBWNF-OTICDNTFSA-N
HMDB44350,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,40,43,56H,4-15,18,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m0/s1",DVIPBEICMABNSZ,PRUOGXFXSA,N,"TG(16:0/20:3n6/20:4(5Z,8Z,11Z,14Z))",DVIPBEICMABNSZ-PRUOGXFXSA-N
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HMDB44367,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,28,31,37,40,52H,4-15,17-18,21-22,24,27,29-30,32-36,38-39,41-51H2,1-3H3/b19-16-,23-20-,26-25-,31-28-,40-37-/t52-/m1/s1",DUALUCVNZADEIN,ZHNSFSDQSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",DUALUCVNZADEIN-ZHNSFSDQSA-N
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HMDB44370,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,35,41,44,56H,4-16,18-19,21-24,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b20-17-,27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",RJMSXOUHXXQNMT,WJXVKFONSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",RJMSXOUHXXQNMT-WJXVKFONSA-N
HMDB44371,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,31-32,34-35,40-41,43-44,56H,4-16,18-19,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",ZCJKJIZMHKECSP,WNWUMICGSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",ZCJKJIZMHKECSP-WNWUMICGSA-N
HMDB44372,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,34,37,43,46,58H,4-16,18-19,21-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,27-25-,28-26-,37-34-,46-43-/t58-/m0/s1",YWDQYOOHFVPIQU,XXPVVGQESA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",YWDQYOOHFVPIQU-XXPVVGQESA-N
HMDB44373,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,36,39,45,48,60H,4-16,18-19,21-24,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,27-25-,28-26-,39-36-,48-45-/t60-/m0/s1",ULQBTSOLBSLCJS,RSWGDGPBSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",ULQBTSOLBSLCJS-RSWGDGPBSA-N
HMDB44374,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33,39,42,54H,4-15,18,21-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",ZUNYABIYDUZYEE,BMIIBNPESA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",ZUNYABIYDUZYEE-BMIIBNPESA-N
HMDB44375,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33,35,38-39,42,54H,4-15,18,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",FEJKTDZGMIIGQV,GGEOYODXSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",FEJKTDZGMIIGQV-GGEOYODXSA-N
HMDB44376,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,35,41,44,56H,4-15,18,21-24,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",SJNNYPLSUNDVDG,DFSOIDPLSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)",SJNNYPLSUNDVDG-DFSOIDPLSA-N
HMDB44377,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,41,44,56H,4-15,18,21-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",OSRLCCXMNYZAOM,VBRUGIJLSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)",OSRLCCXMNYZAOM-VBRUGIJLSA-N
HMDB44379,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,34,37,43,46,58H,4-15,18,21-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,37-34-,46-43-/t58-/m0/s1",NDGULPIMPWDTHL,KADNNTKZSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",NDGULPIMPWDTHL-KADNNTKZSA-N
HMDB44380,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34,36-37,39,43,46,58H,4-15,18,21-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",KNNCIYRSOTVCSB,XHWLDLPXSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",KNNCIYRSOTVCSB-XHWLDLPXSA-N
HMDB44381,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-15,18,21-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",WZVLKVCZASLKPD,CZABMLOKSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WZVLKVCZASLKPD-CZABMLOKSA-N
HMDB44382,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,39,42,54H,4-7,9-10,12-15,18,21-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",ZBWUUTOVWMGBJG,BFOUNBPUSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",ZBWUUTOVWMGBJG-BFOUNBPUSA-N
HMDB44383,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,35,38-39,42,54H,4-7,9-10,12-15,18,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",YGHCGZMNIZDXDW,WWJDQLHPSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",YGHCGZMNIZDXDW-WWJDQLHPSA-N
HMDB44384,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,41,44,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",FPYFZMBEIFEBFV,WJFSVQKKSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",FPYFZMBEIFEBFV-WJFSVQKKSA-N
HMDB44385,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,40-41,43-44,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",XOJDXSDPICSSTA,FXRJZKPYSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XOJDXSDPICSSTA-FXRJZKPYSA-N
HMDB44386,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34,36-37,39,43,46,58H,4-6,8-9,11-15,18,21-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",KUVXRTPAOVOBHE,GDDJAAQFSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KUVXRTPAOVOBHE-GDDJAAQFSA-N
HMDB44387,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,8-9,11-15,18,21-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",NHBNAMRVBWRRAL,AHFWQLRTSA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NHBNAMRVBWRRAL-AHFWQLRTSA-N
HMDB44388,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,39,42,55H,4-15,17-18,20-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b19-16-,27-25-,33-30-,42-39-/t55-/m1/s1",SQITVZNQNGOSGD,YRYQCSKASA,N,"TG(16:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)",SQITVZNQNGOSGD-YRYQCSKASA-N
HMDB44389,886.798941124,C57H106O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19,25-26,54H,4-15,17-18,20-24,27-53H2,1-3H3/b19-16-,26-25-",RRSWDWCGNYDAFV,DHSNEXAOSA,N,"TG(16:0/22:2(13Z,16Z)/16:0)",RRSWDWCGNYDAFV-DHSNEXAOSA-N
HMDB44390,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-/t56-/m0/s1",BHUGVTHDSSXVAN,AFBXCYEQSA,N,"TG(16:0/22:2(13Z,16Z)/18:0)",BHUGVTHDSSXVAN-AFBXCYEQSA-N
HMDB44391,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,58H,4-15,17-18,20-24,26,28-57H2,1-3H3/b19-16-,27-25-/t58-/m0/s1",UGGFEFYRAIPHJW,KMHMPRQHSA,N,"TG(16:0/22:2(13Z,16Z)/20:0)",UGGFEFYRAIPHJW-KMHMPRQHSA-N
HMDB44392,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,60H,4-16,18-19,21-25,27,29-59H2,1-3H3/b20-17-,28-26-/t60-/m0/s1",HKLUOMJYFGCDTK,KOGOAZCMSA,N,"TG(16:0/22:2(13Z,16Z)/22:0)",HKLUOMJYFGCDTK-KOGOAZCMSA-N
HMDB44393,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,62H,4-16,18-19,21-25,27,29-61H2,1-3H3/b20-17-,28-26-/t62-/m0/s1",SRHMZKKBUDTVII,BMMWUWLLSA,N,"TG(16:0/22:2(13Z,16Z)/24:0)",SRHMZKKBUDTVII-BMMWUWLLSA-N
HMDB44394,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,52H,4-14,17,20-23,26-51H2,1-3H3/b18-15-,19-16-,25-24-/t52-/m1/s1",NPRADIIHNTWIBW,UPUDBSRISA,N,"TG(16:0/22:2(13Z,16Z)/14:1(9Z))",NPRADIIHNTWIBW-UPUDBSRISA-N
HMDB44395,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,54H,4-15,17-18,21-22,24,27-53H2,1-3H3/b19-16-,23-20-,26-25-/t54-/m1/s1",JZDWMRHLZXGIMN,HEQQPVHQSA,N,"TG(16:0/22:2(13Z,16Z)/16:1(9Z))",JZDWMRHLZXGIMN-HEQQPVHQSA-N
HMDB44396,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,56H,4-15,17-18,21-22,24,26,28-55H2,1-3H3/b19-16-,23-20-,27-25-/t56-/m0/s1",ATFODGBLEVDVDH,FLFWTULSSA,N,"TG(16:0/22:2(13Z,16Z)/18:1(11Z))",ATFODGBLEVDVDH-FLFWTULSSA-N
HMDB44397,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,56H,4-15,17-18,20-24,28-30,32-55H2,1-3H3/b19-16-,27-25-,31-26-/t56-/m0/s1",RFRFVPGJCPCTFG,JTCUIPEBSA,N,"TG(16:0/22:2(13Z,16Z)/18:1(9Z))",RFRFVPGJCPCTFG-JTCUIPEBSA-N
HMDB44398,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,58H,4-15,17-18,20-24,29-57H2,1-3H3/b19-16-,27-25-,28-26-/t58-/m0/s1",IEXFFVIGQBUXOM,GBEOITIKSA,N,"TG(16:0/22:2(13Z,16Z)/20:1(11Z))",IEXFFVIGQBUXOM-GBEOITIKSA-N
HMDB44399,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,33,36,42,45,58H,4-15,17-18,20-24,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,27-25-,28-26-,36-33-,45-42-/t58-/m0/s1",OILZWGIDKGYAMG,YOUONQSCSA,N,"TG(16:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",OILZWGIDKGYAMG-YOUONQSCSA-N
HMDB44400,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,60H,4-16,18-19,21-24,29-59H2,1-3H3/b20-17-,27-25-,28-26-/t60-/m0/s1",IMIRBNJSIWDVSA,CWTLSIQGSA,N,"TG(16:0/22:2(13Z,16Z)/22:1(13Z))",IMIRBNJSIWDVSA-CWTLSIQGSA-N
HMDB44401,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,62H,4-16,18-19,21-24,29-61H2,1-3H3/b20-17-,27-25-,28-26-/t62-/m0/s1",LLWXTCUPVVRPID,OYTHAVKRSA,N,"TG(16:0/22:2(13Z,16Z)/24:1(15Z))",LLWXTCUPVVRPID-OYTHAVKRSA-N
HMDB44402,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,56H,4-15,18,21-24,28-30,32-55H2,1-3H3/b19-16-,20-17-,27-25-,31-26-/t56-/m0/s1",VDFLVYXXAGWWIR,IQNIQERESA,N,"TG(16:0/22:2(13Z,16Z)/18:2(9Z,12Z))",VDFLVYXXAGWWIR-IQNIQERESA-N
HMDB44403,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,37,40,56H,4-15,18,21-24,28-30,32-36,38-39,41-55H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,40-37-/t56-/m0/s1",GUEAOWLOWXSHIP,NHZDIUSASA,N,"TG(16:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",GUEAOWLOWXSHIP-NHZDIUSASA-N
HMDB44404,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,58H,4-15,18,21-24,29-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t58-/m0/s1",MEUWGTHLRSIXHV,FASPCYNWSA,N,"TG(16:0/22:2(13Z,16Z)/20:2n6)",MEUWGTHLRSIXHV-FASPCYNWSA-N
HMDB44405,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,58H,4-15,18,21-24,29-32,34-35,37-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-/t58-/m0/s1",ZNIJKWJHVJGSJB,XKQXSAAHSA,N,"TG(16:0/22:2(13Z,16Z)/20:3n6)",ZNIJKWJHVJGSJB-XKQXSAAHSA-N
HMDB44406,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,42,45,58H,4-15,18,21-24,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-,45-42-/t58-/m0/s1",ULTVSONMTVRYHO,ZUAQCQMPSA,N,"TG(16:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",ULTVSONMTVRYHO-ZUAQCQMPSA-N
HMDB44407,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,60H,4-15,18,21-24,29-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t60-/m0/s1",AIJZDCRCOWFNRQ,IAWHHGFBSA,N,"TG(16:0/22:2(13Z,16Z)/22:2(13Z,16Z))",AIJZDCRCOWFNRQ-IAWHHGFBSA-N
HMDB44408,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,38,41,60H,4-15,18,21-24,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,41-38-/t60-/m0/s1",BTKBYBXKJGMWMW,UEJIIWSZSA,N,"TG(16:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",BTKBYBXKJGMWMW-UEJIIWSZSA-N
HMDB44409,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,38,41,47,50,60H,4-15,18,21-24,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,41-38-,50-47-/t60-/m0/s1",OBOALIODLYWJJP,FTHLUUNJSA,N,"TG(16:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OBOALIODLYWJJP-FTHLUUNJSA-N
HMDB44410,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,56H,4-7,9-10,12-15,18,21-24,28-30,32-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-/t56-/m0/s1",YULUXGLXXIXEPQ,XCMMJGRISA,N,"TG(16:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",YULUXGLXXIXEPQ-XCMMJGRISA-N
HMDB44411,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,37,40,56H,4-7,9-10,12-15,18,21-24,28-30,32-36,38-39,41-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-,40-37-/t56-/m0/s1",YXRUNICONCGAMD,CEXXEDERSA,N,"TG(16:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",YXRUNICONCGAMD-CEXXEDERSA-N
HMDB44412,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,36,58H,4-7,9-10,12-15,18,21-24,29-32,34-35,37-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-/t58-/m0/s1",HAAXAWNOIVNSDE,WQJHTZBGSA,N,"TG(16:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",HAAXAWNOIVNSDE-WQJHTZBGSA-N
HMDB44413,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,36,42,45,58H,4-7,9-10,12-15,18,21-24,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-,45-42-/t58-/m0/s1",AOZYINRLHMDIGG,ZXTCMHOQSA,N,"TG(16:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",AOZYINRLHMDIGG-ZXTCMHOQSA-N
HMDB44414,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,41,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,41-38-/t60-/m0/s1",NWKINCLTQZSJMT,JZCFQPDDSA,N,"TG(16:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NWKINCLTQZSJMT-JZCFQPDDSA-N
HMDB44415,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,41,47,50,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,41-38-,50-47-/t60-/m0/s1",SUSVIZFJFDUVRG,JDXMBPTESA,N,"TG(16:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SUSVIZFJFDUVRG-JDXMBPTESA-N
HMDB44416,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-/t57-/m1/s1",LCHZHNOSBDOUOB,ZMJVVNHNSA,N,"TG(16:0/22:2(13Z,16Z)/o-18:0)",LCHZHNOSBDOUOB-ZMJVVNHNSA-N
HMDB44417,882.767640996,C57H102O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,33,36,54H,4-15,17-18,20-24,27,30-32,34-35,37-53H2,1-3H3/b19-16-,26-25-,29-28-,36-33-",OZTOROOYEIRFAB,QVVRMUBKSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/16:0)",OZTOROOYEIRFAB-QVVRMUBKSA-N
HMDB44418,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,35,38,56H,4-15,17-18,20-24,26,28,31-34,36-37,39-55H2,1-3H3/b19-16-,27-25-,30-29-,38-35-/t56-/m0/s1",RKVPYADZHFIFSC,LGCHWZLJSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:0)",RKVPYADZHFIFSC-LGCHWZLJSA-N
HMDB44419,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,37,40,58H,4-15,17-18,20-24,26,28-29,31,33-36,38-39,41-57H2,1-3H3/b19-16-,27-25-,32-30-,40-37-/t58-/m0/s1",JEZIXTIQQIPJCZ,MFGXWEGQSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:0)",JEZIXTIQQIPJCZ-MFGXWEGQSA-N
HMDB44420,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,34,39,42,60H,4-16,18-19,21-25,27,29-31,33,35-38,40-41,43-59H2,1-3H3/b20-17-,28-26-,34-32-,42-39-/t60-/m0/s1",HKXVFDJOYACJHJ,JEJIAOHESA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:0)",HKXVFDJOYACJHJ-JEJIAOHESA-N
HMDB44421,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,41,44,62H,4-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b20-17-,28-26-,36-33-,44-41-/t62-/m0/s1",GLISFJPYRFCNQK,ARQZXAHOSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/24:0)",GLISFJPYRFCNQK-ARQZXAHOSA-N
HMDB44422,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,31,34,52H,4-14,17,20-23,26,29-30,32-33,35-51H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,34-31-/t52-/m1/s1",MBOXBOYLRVJTGJ,CYGPNMRKSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))",MBOXBOYLRVJTGJ-CYGPNMRKSA-N
HMDB44423,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,28-29,33,36,54H,4-15,17-18,21-22,24,27,30-32,34-35,37-53H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,36-33-/t54-/m1/s1",PHUWKNUSDWRCGE,XZKQVEDDSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))",PHUWKNUSDWRCGE-XZKQVEDDSA-N
HMDB44424,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,35,38,56H,4-15,17-18,21-22,24,26,28,31-34,36-37,39-55H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,38-35-/t56-/m0/s1",SCFVYEXLCMYCDZ,MGMZLDTOSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))",SCFVYEXLCMYCDZ-MGMZLDTOSA-N
HMDB44425,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,35,38,56H,4-15,17-18,20-24,28,32-34,36-37,39-55H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1",PALASCZMYXYMJK,PWPHUMQMSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",PALASCZMYXYMJK-PWPHUMQMSA-N
HMDB44426,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,37,40,58H,4-15,17-18,20-24,29,31,33-36,38-39,41-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,40-37-/t58-/m0/s1",JDWRFNWSBWWPSM,IKKQRAAHSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",JDWRFNWSBWWPSM-IKKQRAAHSA-N
HMDB44427,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,36-37,40,42,45,58H,4-15,17-18,20-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-/t58-/m0/s1",VXMAIDYIDJLHJA,JGXSATTQSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",VXMAIDYIDJLHJA-JGXSATTQSA-N
HMDB44428,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,39,42,60H,4-16,18-19,21-24,29-31,33,35-38,40-41,43-59H2,1-3H3/b20-17-,27-25-,28-26-,34-32-,42-39-/t60-/m0/s1",YZYLLQDFUYUJGF,TXEBZDMKSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",YZYLLQDFUYUJGF-TXEBZDMKSA-N
HMDB44429,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,41,44,62H,4-16,18-19,21-24,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b20-17-,27-25-,28-26-,36-33-,44-41-/t62-/m0/s1",SHOSQQDZOARHMC,NPTAWTQTSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",SHOSQQDZOARHMC-NPTAWTQTSA-N
HMDB44430,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35,38,56H,4-15,18,21-24,28,32-34,36-37,39-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1",MXOCLFIWZVCZDI,IWWRXDKHSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",MXOCLFIWZVCZDI-IWWRXDKHSA-N
HMDB44431,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35,37-38,40,56H,4-15,18,21-24,28,32-34,36,39,41-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-/t56-/m0/s1",NERZZMXPGOOWDK,OJRSLZPMSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",NERZZMXPGOOWDK-OJRSLZPMSA-N
HMDB44432,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,37,40,58H,4-15,18,21-24,29,31,33-36,38-39,41-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,40-37-/t58-/m0/s1",VQSFOYURLORFHZ,PHWQCVTDSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)",VQSFOYURLORFHZ-PHWQCVTDSA-N
HMDB44433,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,40,58H,4-15,18,21-24,29,31,34-35,38-39,41-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-/t58-/m0/s1",MNHDOWHKRMZWLO,HCPXTFGZSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)",MNHDOWHKRMZWLO-HCPXTFGZSA-N
HMDB44434,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,40,42,45,58H,4-15,18,21-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-/t58-/m0/s1",QHFWHTBQBIFURV,XXAKMCPISA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",QHFWHTBQBIFURV-XXAKMCPISA-N
HMDB44435,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,39,42,60H,4-15,18,21-24,29-31,33,35-38,40-41,43-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-,42-39-/t60-/m0/s1",FHLCKJOBUHAURH,HWKOLZATSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",FHLCKJOBUHAURH-HWKOLZATSA-N
HMDB44436,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-39,41-42,60H,4-15,18,21-24,29-30,35-37,40,43-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-/t60-/m0/s1",LZMYQBXIIPFGAL,TWKAUKCDSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",LZMYQBXIIPFGAL-TWKAUKCDSA-N
HMDB44437,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-39,41-42,47,50,60H,4-15,18,21-24,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-/t60-/m0/s1",BQPFRDZWJNSTCS,QIDBSMODSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BQPFRDZWJNSTCS-QIDBSMODSA-N
HMDB44438,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,38,56H,4-7,9-10,12-15,18,21-24,28,32-34,36-37,39-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1",SOJRRLQBMKTGND,BIJVANROSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",SOJRRLQBMKTGND-BIJVANROSA-N
HMDB44439,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,37-38,40,56H,4-7,9-10,12-15,18,21-24,28,32-34,36,39,41-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-/t56-/m0/s1",MWMSOQLJRRQEFB,WJNSJACHSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",MWMSOQLJRRQEFB-WJNSJACHSA-N
HMDB44440,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,40,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-/t58-/m0/s1",RMFNCHQOYHTIDQ,CNIYBTNCSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",RMFNCHQOYHTIDQ-CNIYBTNCSA-N
HMDB44441,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,40,42,45,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-/t58-/m0/s1",UTRYWHWGGPMYPH,BGAFYUDYSA,N,"TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",UTRYWHWGGPMYPH-BGAFYUDYSA-N
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HMDB44451,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,28-29,33,36,42,45,54H,4-15,17-18,21-22,24,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,36-33-,45-42-/t54-/m1/s1",CHEHXIFVJAUAIV,ZSAGZYMTSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",CHEHXIFVJAUAIV-ZSAGZYMTSA-N
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HMDB44460,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,37,40,46,49,58H,4-15,18,21-24,29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,40-37-,49-46-/t58-/m0/s1",BSTJLPXBNOSXRB,XDFLCMTPSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",BSTJLPXBNOSXRB-XDFLCMTPSA-N
HMDB44461,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,40,46,49,58H,4-15,18,21-24,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-/t58-/m0/s1",JOIWWFFCFVRUKE,LVUHWYMCSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",JOIWWFFCFVRUKE-LVUHWYMCSA-N
HMDB44462,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,40,42,45-46,49,58H,4-15,18,21-24,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-/t58-/m0/s1",JSZGVUSMJQHGRM,KEBPXYLLSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",JSZGVUSMJQHGRM-KEBPXYLLSA-N
HMDB44463,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,39,42,48,51,60H,4-15,18,21-24,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-,42-39-,51-48-/t60-/m0/s1",BQKCDBPZPOHJKK,MZRCHLELSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",BQKCDBPZPOHJKK-MZRCHLELSA-N
HMDB44464,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-39,41-42,48,51,60H,4-15,18,21-24,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-/t60-/m0/s1",DFOPDYSQCRFMDS,WFCJAIITSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",DFOPDYSQCRFMDS-WFCJAIITSA-N
HMDB44465,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-39,41-42,47-48,50-51,60H,4-15,18,21-24,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-/t60-/m0/s1",SGSCBPFVSOCVPP,DRUNYDBDSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SGSCBPFVSOCVPP-DRUNYDBDSA-N
HMDB44466,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,38,44,47,56H,4-7,9-10,12-15,18,21-24,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,47-44-/t56-/m0/s1",XOHFOGPZEPGSGQ,OMWPHFQDSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",XOHFOGPZEPGSGQ-OMWPHFQDSA-N
HMDB44467,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,37-38,40,44,47,56H,4-7,9-10,12-15,18,21-24,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-/t56-/m0/s1",STSSOOUAZVGHGT,LCNRRWAFSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",STSSOOUAZVGHGT-LCNRRWAFSA-N
HMDB44468,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,40,46,49,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-/t58-/m0/s1",JQEOPGFLHOLFBQ,NLXWWTHSSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",JQEOPGFLHOLFBQ-NLXWWTHSSA-N
HMDB44469,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,40,42,45-46,49,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-/t58-/m0/s1",UGTKVHDOAHLZAE,NNYGSTPJSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",UGTKVHDOAHLZAE-NNYGSTPJSA-N
HMDB44470,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-39,41-42,48,51,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-/t60-/m0/s1",HSNGDBNPPHCXGS,MUCARDSESA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HSNGDBNPPHCXGS-MUCARDSESA-N
HMDB44471,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-39,41-42,47-48,50-51,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-/t60-/m0/s1",NDNNXIWBJOKRCM,WVVFJPSCSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NDNNXIWBJOKRCM-WVVFJPSCSA-N
HMDB44472,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,35,38,44,47,57H,4-15,17-18,20-24,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,27-25-,31-30-,38-35-,47-44-/t57-/m1/s1",LUJMLLZMUWZMMQ,PNUUDNPKSA,N,"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",LUJMLLZMUWZMMQ-PNUUDNPKSA-N
HMDB44473,828.720690804,C53H96O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,50H,4-6,8-9,11-15,17-18,20-24,27-49H2,1-3H3/b10-7-,19-16-,26-25-",CXACRYNAENZONW,FJYSWILXSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/16:0)",CXACRYNAENZONW-FJYSWILXSA-N
HMDB44474,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,52H,4-7,9-10,12-16,18-19,21-25,27,29-51H2,1-3H3/b11-8-,20-17-,28-26-/t52-/m0/s1",KKBIJNWSACWOQA,MRNHURRUSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/18:0)",KKBIJNWSACWOQA-MRNHURRUSA-N
HMDB44475,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-53H2,1-3H3/b11-8-,20-17-,29-26-/t54-/m0/s1",QMOIIDCAFLCLKL,ZBQQGBJQSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/20:0)",QMOIIDCAFLCLKL-ZBQQGBJQSA-N
HMDB44476,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-55H2,1-3H3/b11-8-,20-17-,31-26-/t56-/m0/s1",FWKCOGXWWVMSPZ,ODYOSRGNSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/22:0)",FWKCOGXWWVMSPZ-ODYOSRGNSA-N
HMDB44477,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-57H2,1-3H3/b11-8-,20-17-,33-26-/t58-/m0/s1",UZJFJKLCXWYRPN,KQWNDZRGSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/24:0)",UZJFJKLCXWYRPN-KQWNDZRGSA-N
HMDB44478,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,48H,4-6,8-9,11-14,17,20-23,26-47H2,1-3H3/b10-7-,18-15-,19-16-,25-24-/t48-/m1/s1",OQRLQTYUHSMYBO,XJIKFJTISA,N,"TG(16:0/18:3(9Z,12Z,15Z)/14:1(9Z))",OQRLQTYUHSMYBO-XJIKFJTISA-N
HMDB44479,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25-26,50H,4-6,8-9,11-15,17-18,21-22,24,27-49H2,1-3H3/b10-7-,19-16-,23-20-,26-25-/t50-/m1/s1",JHQZNZVCBCGJFN,PXKDUDJKSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/16:1(9Z))",JHQZNZVCBCGJFN-PXKDUDJKSA-N
HMDB44480,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26,28,52H,4-7,9-10,12-16,18,21,23-25,27,29-51H2,1-3H3/b11-8-,20-17-,22-19-,28-26-/t52-/m0/s1",KCJJSBVKULPMKX,OBZWBKFWSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/18:1(11Z))",KCJJSBVKULPMKX-OBZWBKFWSA-N
HMDB44481,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,52H,4-7,9-10,12-16,18-19,21-24,29-51H2,1-3H3/b11-8-,20-17-,27-25-,28-26-/t52-/m0/s1",WEWGDECMSJEOGE,MURHNWAQSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/18:1(9Z))",WEWGDECMSJEOGE-MURHNWAQSA-N
HMDB44482,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,54H,4-7,9-10,12-16,18-19,21-24,28,30-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-/t54-/m0/s1",PDTAQKYFJJGDCD,KKELCOOUSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/20:1(11Z))",PDTAQKYFJJGDCD-KKELCOOUSA-N
HMDB44483,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,32,38,41,54H,4-7,9-10,12-16,18-19,21-24,28,31,33-37,39-40,42-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",ZDKPIRJJKWGRAH,HPLSVYHDSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",ZDKPIRJJKWGRAH-HPLSVYHDSA-N
HMDB44484,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,56H,4-7,9-10,12-16,18-19,21-24,28-30,32-55H2,1-3H3/b11-8-,20-17-,27-25-,31-26-/t56-/m0/s1",HAHWVZIGXNJUTE,VEFALGSMSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/22:1(13Z))",HAHWVZIGXNJUTE-VEFALGSMSA-N
HMDB44485,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-/t58-/m0/s1",JLNYLODKIXIHKZ,KEEBEWHXSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/24:1(15Z))",JLNYLODKIXIHKZ-KEEBEWHXSA-N
HMDB44486,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,52H,4-7,9-10,12-15,18,21-24,29-51H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-/t52-/m0/s1",DZXZWZCELPDEAY,GYJCYCAFSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",DZXZWZCELPDEAY-GYJCYCAFSA-N
HMDB44487,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,36,52H,4-7,9-10,12-15,18,21-24,29-32,34-35,37-51H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-/t52-/m0/s1",CGMLAHMSEQYYIO,WYOFVJKXSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",CGMLAHMSEQYYIO-WYOFVJKXSA-N
HMDB44488,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,54H,4-7,9-10,12-15,18,21-24,28,30-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-/t54-/m0/s1",QUFRRPUAEDKDEW,CGEWGDRRSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/20:2n6)",QUFRRPUAEDKDEW-CGEWGDRRSA-N
HMDB44489,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,54H,4-7,9-10,12-15,18,21-24,28,31,33-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-/t54-/m0/s1",RCTFSXXAFDXOOG,NCVMYHKWSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/20:3n6)",RCTFSXXAFDXOOG-NCVMYHKWSA-N
HMDB44490,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,38,41,54H,4-7,9-10,12-15,18,21-24,28,31,33-37,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",ZZLCKKQXICONCS,HCOXUGLDSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",ZZLCKKQXICONCS-HCOXUGLDSA-N
HMDB44491,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,56H,4-7,9-10,12-15,18,21-24,28-30,32-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-/t56-/m0/s1",MKQRCRFBFCBMBF,XCMMJGRISA,N,"TG(16:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",MKQRCRFBFCBMBF-XCMMJGRISA-N
HMDB44492,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,56H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-/t56-/m0/s1",CEFUXGIRKDAEJG,GBHYSXTGSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",CEFUXGIRKDAEJG-GBHYSXTGSA-N
HMDB44493,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,43,46,56H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-/t56-/m0/s1",HVBCDMMDPJRIPL,LVACIPSCSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HVBCDMMDPJRIPL-LVACIPSCSA-N
HMDB44494,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,52H,4-6,9,12-15,18,21-24,29-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-/t52-/m0/s1",GLKWVCJIQVMKME,UFYIUHOOSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",GLKWVCJIQVMKME-UFYIUHOOSA-N
HMDB44495,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,33,36,52H,4-6,9,12-15,18,21-24,29-32,34-35,37-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,36-33-/t52-/m0/s1",OQRXPGDRAOFVJF,ZLKSJECJSA,N,"TG(16:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",OQRXPGDRAOFVJF-ZLKSJECJSA-N
HMDB44496,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,54H,4-6,9,12-15,18,21-24,28,31,33-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-/t54-/m0/s1",CEKIJJUNMQVDNH,WPDFWVQISA,N,"TG(16:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",CEKIJJUNMQVDNH-WPDFWVQISA-N
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HMDB44513,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,40,43,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,43-40-/t58-/m0/s1",JTIIKRNCBBNIPK,WMIZNMGVSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",JTIIKRNCBBNIPK-WMIZNMGVSA-N
HMDB44514,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,34,37,52H,4-7,9-10,12-15,18,21-24,29-33,35-36,38-51H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,37-34-/t52-/m0/s1",AXLDINVACTUVNL,SVXNTTTGSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",AXLDINVACTUVNL-SVXNTTTGSA-N
HMDB44515,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33-34,36-37,52H,4-7,9-10,12-15,18,21-24,29-32,35,38-51H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-,37-34-/t52-/m0/s1",RSSXCJWXBOKIFV,ZOCDZWMYSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",RSSXCJWXBOKIFV-ZOCDZWMYSA-N
HMDB44516,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,36,39,54H,4-7,9-10,12-15,18,21-24,28,30-35,37-38,40-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,39-36-/t54-/m0/s1",QUYHARLNKAANBC,ZVPNJICISA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)",QUYHARLNKAANBC-ZVPNJICISA-N
HMDB44517,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,36,39,54H,4-7,9-10,12-15,18,21-24,28,31,33-35,37-38,40-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-/t54-/m0/s1",KDOMXUFHXIWOIF,VHOLIDSSSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)",KDOMXUFHXIWOIF-VHOLIDSSSA-N
HMDB44518,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,36,38-39,41,54H,4-7,9-10,12-15,18,21-24,28,31,33-35,37,40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-,41-38-/t54-/m0/s1",GGAHUINIWXQGHJ,OUOXDYDTSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",GGAHUINIWXQGHJ-OUOXDYDTSA-N
HMDB44519,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,38,41,56H,4-7,9-10,12-15,18,21-24,28-30,32-37,39-40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-,41-38-/t56-/m0/s1",UUNPUIDOTCYWRF,RXLGINPWSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",UUNPUIDOTCYWRF-RXLGINPWSA-N
HMDB44520,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37-38,41,56H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,39-40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-/t56-/m0/s1",BQSQTHNCNDZKMD,AJUBKSDWSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",BQSQTHNCNDZKMD-AJUBKSDWSA-N
HMDB44521,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37-38,41,43,46,56H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-/t56-/m0/s1",ZLDJFFNRXQCWDI,NEYNGORJSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZLDJFFNRXQCWDI-NEYNGORJSA-N
HMDB44522,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,34,37,52H,4-6,9,12-15,18,21-24,29-33,35-36,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,37-34-/t52-/m0/s1",KMGOUJHSYBTHER,SMZBQROJSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",KMGOUJHSYBTHER-SMZBQROJSA-N
HMDB44523,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,33-34,36-37,52H,4-6,9,12-15,18,21-24,29-32,35,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,36-33-,37-34-/t52-/m0/s1",SOIBEBYXQLTNDR,VBRAABGBSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",SOIBEBYXQLTNDR-VBRAABGBSA-N
HMDB44524,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,36,39,54H,4-6,9,12-15,18,21-24,28,31,33-35,37-38,40-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-/t54-/m0/s1",JYBPCQUFGVVZLD,VWWLTTJHSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",JYBPCQUFGVVZLD-VWWLTTJHSA-N
HMDB44525,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,36,38-39,41,54H,4-6,9,12-15,18,21-24,28,31,33-35,37,40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-,41-38-/t54-/m0/s1",YDZSYKOIYMNSMY,FDLXUYESSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YDZSYKOIYMNSMY-FDLXUYESSA-N
HMDB44526,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37-38,41,56H,4-6,9,12-15,18,21-24,28,32-33,35-36,39-40,42-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-/t56-/m0/s1",NPDNCNMIHPPXLG,NEWSEWFISA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NPDNCNMIHPPXLG-NEWSEWFISA-N
HMDB44527,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37-38,41,43,46,56H,4-6,9,12-15,18,21-24,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-/t56-/m0/s1",MUVXTHRGYAQJKI,YOFFRXKVSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MUVXTHRGYAQJKI-YOFFRXKVSA-N
HMDB44528,840.75707632,C55H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,37,53H,4-7,9-10,12-16,18-19,21-25,27,29-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,28-26-,37-34-/t53-/m1/s1",LGWPAAGQAFVNIL,FMKYAMEWSA,N,"TG(16:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)",LGWPAAGQAFVNIL-FMKYAMEWSA-N
HMDB44529,854.736340868,C55H98O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,31,52H,4-6,8-9,11-15,17-18,20-24,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,26-25-,31-28-",SHEAJRMKUNUAAK,OWRUCQERSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/16:0)",SHEAJRMKUNUAAK-OWRUCQERSA-N
HMDB44530,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,27-25-,33-30-/t54-/m0/s1",OEXKOFIGSYEMIC,NRHFPUSWSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:0)",OEXKOFIGSYEMIC-NRHFPUSWSA-N
HMDB44531,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,35,56H,4-7,9-10,12-16,18-19,21-25,27,29-31,33-34,36-55H2,1-3H3/b11-8-,20-17-,28-26-,35-32-/t56-/m0/s1",YAGNAQGNANYSOZ,BTSNATSMSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:0)",YAGNAQGNANYSOZ-BTSNATSMSA-N
HMDB44532,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,37,58H,4-7,9-10,12-16,18-19,21-25,27,29-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,28-26-,37-34-/t58-/m0/s1",NPGQULUAPOPHIW,OCTKYVPGSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:0)",NPGQULUAPOPHIW-OCTKYVPGSA-N
HMDB44533,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,36,39,60H,4-7,9-10,12-16,18-19,21-25,27,29-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,28-26-,39-36-/t60-/m0/s1",MEUKCWGKFGAXPK,DUHQLXHESA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/24:0)",MEUKCWGKFGAXPK-DUHQLXHESA-N
HMDB44534,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,50H,4-6,8-9,11-14,17,20-23,26,28,30-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-/t50-/m1/s1",PJZFMWSMRBDTOQ,JSPGTTSESA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))",PJZFMWSMRBDTOQ-JSPGTTSESA-N
HMDB44535,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25-26,28,31,52H,4-6,8-9,11-15,17-18,21-22,24,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,31-28-/t52-/m1/s1",UVTYOGUMIJDHCL,UIMLNZSVSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))",UVTYOGUMIJDHCL-UIMLNZSVSA-N
HMDB44536,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,33,54H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,33-30-/t54-/m0/s1",MTMROZADXJWIBV,DOECFCCQSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",MTMROZADXJWIBV-DOECFCCQSA-N
HMDB44537,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,33,54H,4-6,8-9,11-15,17-18,20-24,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,33-30-/t54-/m0/s1",NGPGSHBLLYRGNQ,MPZPZLFDSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",NGPGSHBLLYRGNQ-MPZPZLFDSA-N
HMDB44538,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,35,56H,4-7,9-10,12-16,18-19,21-24,29-31,33-34,36-55H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-32-/t56-/m0/s1",WZRGICDSXYFJPS,ZIZOZEFBSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",WZRGICDSXYFJPS-ZIZOZEFBSA-N
HMDB44539,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,31-32,34-35,40,43,56H,4-7,9-10,12-16,18-19,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m0/s1",CBLILFPLLSELNG,TYYRHVKQSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",CBLILFPLLSELNG-TYYRHVKQSA-N
HMDB44540,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34,37,58H,4-7,9-10,12-16,18-19,21-24,29-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-34-/t58-/m0/s1",ZTKMZVMQWCZSHV,VTYCCDCMSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))",ZTKMZVMQWCZSHV-VTYCCDCMSA-N
HMDB44541,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,36,39,60H,4-7,9-10,12-16,18-19,21-24,29-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,39-36-/t60-/m0/s1",FYMHLHDVPWTCCO,JYFCDIOCSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))",FYMHLHDVPWTCCO-JYFCDIOCSA-N
HMDB44542,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33,54H,4-6,8-9,11-15,18,21-24,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-/t54-/m0/s1",LGUKJGOAVRCNPB,QROPBAFESA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",LGUKJGOAVRCNPB-QROPBAFESA-N
HMDB44543,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33,35,38,54H,4-6,8-9,11-15,18,21-24,28,31-32,34,36-37,39-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,38-35-/t54-/m0/s1",WNARGTJIQSIDDX,IMMWBZMISA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",WNARGTJIQSIDDX-IMMWBZMISA-N
HMDB44544,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,35,56H,4-7,9-10,12-15,18,21-24,29-31,33-34,36-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-32-/t56-/m0/s1",UCZNTENRZSQOQS,YUFOREQHSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)",UCZNTENRZSQOQS-YUFOREQHSA-N
HMDB44545,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-32,34-35,56H,4-7,9-10,12-15,18,21-24,29-30,33,36-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-/t56-/m0/s1",XEKVHENLWOFKPK,KVEQWDMPSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)",XEKVHENLWOFKPK-KVEQWDMPSA-N
HMDB44546,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-32,34-35,40,43,56H,4-7,9-10,12-15,18,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m0/s1",LMMYQMPDDPXLPV,GPTYIXOUSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",LMMYQMPDDPXLPV-GPTYIXOUSA-N
HMDB44547,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,34,37,58H,4-7,9-10,12-15,18,21-24,29-33,35-36,38-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,37-34-/t58-/m0/s1",CINQQWRCGOWRAC,OBYLBELMSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",CINQQWRCGOWRAC-OBYLBELMSA-N
HMDB44548,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34,36-37,39,58H,4-7,9-10,12-15,18,21-24,29,31,33,35,38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-/t58-/m0/s1",VPFWCQBUGKIQFW,LHZUXGMOSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",VPFWCQBUGKIQFW-LHZUXGMOSA-N
HMDB44549,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34,36-37,39,45,48,58H,4-7,9-10,12-15,18,21-24,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-/t58-/m0/s1",SJVHTNGBQBKQSP,YRGWSTSFSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SJVHTNGBQBKQSP-YRGWSTSFSA-N
HMDB44550,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33,54H,4-6,9,12-15,18,21-24,28,31-32,34-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-/t54-/m0/s1",GJXSMKNLYJYXGU,QTYWVPEGSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",GJXSMKNLYJYXGU-QTYWVPEGSA-N
HMDB44551,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33,35,38,54H,4-6,9,12-15,18,21-24,28,31-32,34,36-37,39-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,38-35-/t54-/m0/s1",VBKZOCKJKJMLAE,RACCESEJSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",VBKZOCKJKJMLAE-RACCESEJSA-N
HMDB44552,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,56H,4-6,9,12-15,18,21-24,29-30,33,36-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-/t56-/m0/s1",USBFXACLNGOAGV,HQAKLWNRSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",USBFXACLNGOAGV-HQAKLWNRSA-N
HMDB44553,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,40,43,56H,4-6,9,12-15,18,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m0/s1",PHOOIXVIRZQNMT,ODAQHYAVSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PHOOIXVIRZQNMT-ODAQHYAVSA-N
HMDB44554,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34,36-37,39,58H,4-6,9,12-15,18,21-24,29,31,33,35,38,40-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-/t58-/m0/s1",SUAAOGASKJVZTC,VBIRUHKMSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SUAAOGASKJVZTC-VBIRUHKMSA-N
HMDB44555,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34,36-37,39,45,48,58H,4-6,9,12-15,18,21-24,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-/t58-/m0/s1",HCEQQESIFLFUPF,XABXORAMSA,N,"TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HCEQQESIFLFUPF-XABXORAMSA-N
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HMDB44560,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-25,27,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,28-26-,37-34-,46-43-/t58-/m0/s1",YDLMJZSTLSUHCN,ZASKBYSDSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)",YDLMJZSTLSUHCN-ZASKBYSDSA-N
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HMDB44562,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,35,38,50H,4-6,8-9,11-14,17,20-23,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-,38-35-/t50-/m1/s1",NZJKRNNNRYFVJS,KGZUNPHGSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))",NZJKRNNNRYFVJS-KGZUNPHGSA-N
HMDB44563,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25-26,28,31,37,40,52H,4-6,8-9,11-15,17-18,21-22,24,27,29-30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,31-28-,40-37-/t52-/m1/s1",XGHWWWRQMZATDG,NMWNBTOISA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))",XGHWWWRQMZATDG-NMWNBTOISA-N
HMDB44564,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,33,39,42,54H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,33-30-,42-39-/t54-/m0/s1",ANFMIMJZGMMSGT,RYGMRLKCSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))",ANFMIMJZGMMSGT-RYGMRLKCSA-N
HMDB44565,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,33,39,42,54H,4-6,8-9,11-15,17-18,20-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",KMWRJGWXMWLNPS,OLGSZHCWSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",KMWRJGWXMWLNPS-OLGSZHCWSA-N
HMDB44566,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,35,41,44,56H,4-7,9-10,12-16,18-19,21-24,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",VRDFZWMMMGNCDF,ZQIWDJMASA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",VRDFZWMMMGNCDF-ZQIWDJMASA-N
HMDB44567,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,31-32,34-35,40-41,43-44,56H,4-7,9-10,12-16,18-19,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",IDHTZXWVZYCFLU,MQJMTQJVSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",IDHTZXWVZYCFLU-MQJMTQJVSA-N
HMDB44568,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-34-,46-43-/t58-/m0/s1",IXUSYSTUUMOVAF,HEGWKSBJSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",IXUSYSTUUMOVAF-HEGWKSBJSA-N
HMDB44569,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-24,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,39-36-,48-45-/t60-/m0/s1",OQTQYHCFGCOUPR,QBUFOSDJSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",OQTQYHCFGCOUPR-QBUFOSDJSA-N
HMDB44570,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33,39,42,54H,4-6,8-9,11-15,18,21-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",OYJMWBKTEDHFSC,VZVQAVQKSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",OYJMWBKTEDHFSC-VZVQAVQKSA-N
HMDB44571,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33,35,38-39,42,54H,4-6,8-9,11-15,18,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",OLCSSHKZDJSWHA,UUYKSPFGSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",OLCSSHKZDJSWHA-UUYKSPFGSA-N
HMDB44572,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,35,41,44,56H,4-7,9-10,12-15,18,21-24,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",NFRNXOVOIGNUNH,ZVFBZJCPSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",NFRNXOVOIGNUNH-ZVFBZJCPSA-N
HMDB44573,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-32,34-35,41,44,56H,4-7,9-10,12-15,18,21-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",AWFDOXBILLNANY,NIQYNQJLSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",AWFDOXBILLNANY-NIQYNQJLSA-N
HMDB44574,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-32,34-35,40-41,43-44,56H,4-7,9-10,12-15,18,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",ZLPGNDHRJUFQTK,YAGXGABHSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",ZLPGNDHRJUFQTK-YAGXGABHSA-N
HMDB44575,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,34,37,43,46,58H,4-7,9-10,12-15,18,21-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,37-34-,46-43-/t58-/m0/s1",HULJJVRJGKHAEJ,UGYJEVTQSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",HULJJVRJGKHAEJ-UGYJEVTQSA-N
HMDB44576,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34,36-37,39,43,46,58H,4-7,9-10,12-15,18,21-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",GHNVZIRUWFYPRE,MUCUANGDSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",GHNVZIRUWFYPRE-MUCUANGDSA-N
HMDB44577,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-7,9-10,12-15,18,21-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",PDEVUZMBSBWIDP,ZUKLVQEBSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PDEVUZMBSBWIDP-ZUKLVQEBSA-N
HMDB44578,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33,39,42,54H,4-6,9,12-15,18,21-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",JRTLGWXUZUMEEO,FXFUGIALSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",JRTLGWXUZUMEEO-FXFUGIALSA-N
HMDB44579,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33,35,38-39,42,54H,4-6,9,12-15,18,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",HHSLKGWQRSKRHK,FUZOJJKVSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",HHSLKGWQRSKRHK-FUZOJJKVSA-N
HMDB44580,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,41,44,56H,4-6,9,12-15,18,21-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",SHBKQHGKLWWKQN,FBVZUFOSSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",SHBKQHGKLWWKQN-FBVZUFOSSA-N
HMDB44581,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,40-41,43-44,56H,4-6,9,12-15,18,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",QTNYDZPWHCXVJM,ZJRUSSCASA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QTNYDZPWHCXVJM-ZJRUSSCASA-N
HMDB44582,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34,36-37,39,43,46,58H,4-6,9,12-15,18,21-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",LKFKLNVRGGOAKP,XQQBHODSSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LKFKLNVRGGOAKP-XQQBHODSSA-N
HMDB44583,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,9,12-15,18,21-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",UZFNMPJCAIVEGV,FUXJGXGNSA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UZFNMPJCAIVEGV-FUXJGXGNSA-N
HMDB44584,866.772726384,C57H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,39,42,55H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,27-25-,33-30-,42-39-/t55-/m1/s1",VMKQCJKDAJJLNO,SIDHVLSASA,N,"TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)",VMKQCJKDAJJLNO-SIDHVLSASA-N
HMDB44585,880.751990932,C57H100O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,33,36,54H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,36-33-",LEXKCMGVSOPGQN,VNQLBUIQSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",LEXKCMGVSOPGQN-VNQLBUIQSA-N
HMDB44586,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,35,38,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,38-35-/t56-/m0/s1",XTEPOOUNIFWLIQ,BUHBGHRASA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",XTEPOOUNIFWLIQ-BUHBGHRASA-N
HMDB44587,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,37,40,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,40-37-/t58-/m0/s1",DNJCUOLYMWLQAR,LXQUCCKUSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)",DNJCUOLYMWLQAR-LXQUCCKUSA-N
HMDB44588,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,39,42,60H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,42-39-/t60-/m0/s1",YQESTRXWSPZNHW,WKPJWWPASA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)",YQESTRXWSPZNHW-WKPJWWPASA-N
HMDB44589,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,41,44,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,44-41-/t62-/m0/s1",YOGOKTNFFIMTGL,XKKMZILESA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)",YOGOKTNFFIMTGL-XKKMZILESA-N
HMDB44590,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,31,34,52H,4-6,8-9,11-14,17,20-23,26,29-30,32-33,35-51H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,34-31-/t52-/m1/s1",TYNXPPJBHIIWHO,RVHCBLGXSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",TYNXPPJBHIIWHO-RVHCBLGXSA-N
HMDB44591,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25-26,28-29,33,36,54H,4-6,8-9,11-15,17-18,21-22,24,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,36-33-/t54-/m1/s1",XVMXXBUUYKEXII,IBUZAXDJSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",XVMXXBUUYKEXII-IBUZAXDJSA-N
HMDB44592,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,35,38,56H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,38-35-/t56-/m0/s1",GZKCFTSNRLBEFK,RMPGONBMSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",GZKCFTSNRLBEFK-RMPGONBMSA-N
HMDB44593,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,35,38,56H,4-6,8-9,11-15,17-18,20-24,28,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1",AOFVZEKESXWNNF,KIDPPWSASA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",AOFVZEKESXWNNF-KIDPPWSASA-N
HMDB44594,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,37,40,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,40-37-/t58-/m0/s1",AGCUGGUMEORKRB,HQJYBCIPSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",AGCUGGUMEORKRB-HQJYBCIPSA-N
HMDB44595,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,36-37,40,42,45,58H,4-6,8-9,11-15,17-18,20-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-/t58-/m0/s1",OYXHCPLFBZJOPV,KMIJXASHSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",OYXHCPLFBZJOPV-KMIJXASHSA-N
HMDB44596,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,39,42,60H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-,42-39-/t60-/m0/s1",DTGWBWNZTSFJEB,QSAUUDRYSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",DTGWBWNZTSFJEB-QSAUUDRYSA-N
HMDB44597,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,41,44,62H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-,44-41-/t62-/m0/s1",IEUZMTMLEWYKNA,WSGADZFFSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",IEUZMTMLEWYKNA-WSGADZFFSA-N
HMDB44598,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,38,56H,4-6,8-9,11-15,18,21-24,28,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1",BVDLCWSVQFJEDL,MHQQAYDDSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",BVDLCWSVQFJEDL-MHQQAYDDSA-N
HMDB44599,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,37-38,40,56H,4-6,8-9,11-15,18,21-24,28,32-34,36,39,41-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-/t56-/m0/s1",KAMJOYWENLTKGJ,SKJWMOCFSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",KAMJOYWENLTKGJ-SKJWMOCFSA-N
HMDB44600,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,37,40,58H,4-6,8-9,11-15,18,21-24,29,31,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,40-37-/t58-/m0/s1",JECQGMWXKOLABW,JIKRAVKVSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",JECQGMWXKOLABW-JIKRAVKVSA-N
HMDB44601,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,40,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38-39,41-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-/t58-/m0/s1",PMJXUSIHWHCMSA,JPBWEOSBSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",PMJXUSIHWHCMSA-JPBWEOSBSA-N
HMDB44602,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,40,42,45,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-/t58-/m0/s1",SJYKIZUGRDDRIQ,FFNYZHSMSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",SJYKIZUGRDDRIQ-FFNYZHSMSA-N
HMDB44603,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,34,39,42,60H,4-7,9-10,12-15,18,21-24,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,42-39-/t60-/m0/s1",INHSCFSCWVZVCK,POYGGAEESA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",INHSCFSCWVZVCK-POYGGAEESA-N
HMDB44604,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,38-39,41-42,60H,4-7,9-10,12-15,18,21-24,29-30,35-37,40,43-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-/t60-/m0/s1",UEPGRXMBZHCOGK,NSRUUUQVSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",UEPGRXMBZHCOGK-NSRUUUQVSA-N
HMDB44605,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,38-39,41-42,47,50,60H,4-7,9-10,12-15,18,21-24,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-/t60-/m0/s1",SJRLCZGQDXBYGK,HKWNKZEVSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SJRLCZGQDXBYGK-HKWNKZEVSA-N
HMDB44606,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,38,56H,4-6,9,12-15,18,21-24,28,32-34,36-37,39-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1",QUEJFXVQPWEFTQ,GITJMUSHSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",QUEJFXVQPWEFTQ-GITJMUSHSA-N
HMDB44607,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,37-38,40,56H,4-6,9,12-15,18,21-24,28,32-34,36,39,41-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-/t56-/m0/s1",VVTVYFURJIUZNX,IZEDADKKSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",VVTVYFURJIUZNX-IZEDADKKSA-N
HMDB44608,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,40,58H,4-6,9,12-15,18,21-24,29,31,34-35,38-39,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-/t58-/m0/s1",HYQFGFWOSPEIQY,ITBQYEFCSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",HYQFGFWOSPEIQY-ITBQYEFCSA-N
HMDB44609,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,40,42,45,58H,4-6,9,12-15,18,21-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-/t58-/m0/s1",FEMYNORIEJASAF,CYLDLUBTSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FEMYNORIEJASAF-CYLDLUBTSA-N
HMDB44610,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-39,41-42,60H,4-6,9,12-15,18,21-24,29-30,35-37,40,43-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-/t60-/m0/s1",XMRBIWWWAIEADV,MIDLRVRISA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XMRBIWWWAIEADV-MIDLRVRISA-N
HMDB44611,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-39,41-42,47,50,60H,4-6,9,12-15,18,21-24,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-/t60-/m0/s1",QVOHTEKWCOOZBV,FIJPMMNYSA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QVOHTEKWCOOZBV-FIJPMMNYSA-N
HMDB44612,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,35,38,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,38-35-/t57-/m1/s1",SVQJEPXPEXYMSW,MIKLIIKISA,N,"TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",SVQJEPXPEXYMSW-MIKLIIKISA-N
HMDB44613,878.736340868,C57H98O6,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,36-33-,45-42-",FBUBTADVAQJSNW,JJGRXMOISA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",FBUBTADVAQJSNW-JJGRXMOISA-N
HMDB44614,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,35,38,44,47,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,38-35-,47-44-/t56-/m0/s1",VDHPZVDJLBXBJP,WWOFMMDBSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",VDHPZVDJLBXBJP-WWOFMMDBSA-N
HMDB44615,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,37,40,46,49,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,40-37-,49-46-/t58-/m0/s1",ZGQZNDJVENREGF,IZMZSYGFSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)",ZGQZNDJVENREGF-IZMZSYGFSA-N
HMDB44616,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,39,42,48,51,60H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,42-39-,51-48-/t60-/m0/s1",PTSDZIVZWSSOQV,PYNBEOIPSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)",PTSDZIVZWSSOQV-PYNBEOIPSA-N
HMDB44617,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,41,44,50,53,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,44-41-,53-50-/t62-/m0/s1",NIVFHJOBPVZHFP,AWTLBVINSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)",NIVFHJOBPVZHFP-AWTLBVINSA-N
HMDB44618,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,31,34,40,43,52H,4-6,8-9,11-14,17,20-23,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,34-31-,43-40-/t52-/m1/s1",HKZRNRKQVGETPZ,YEMJOVBESA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",HKZRNRKQVGETPZ-YEMJOVBESA-N
HMDB44619,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25-26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,21-22,24,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,36-33-,45-42-/t54-/m1/s1",WSWGJBOBPWDAQV,JVZAJYMMSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",WSWGJBOBPWDAQV-JVZAJYMMSA-N
HMDB44620,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,35,38,44,47,56H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,38-35-,47-44-/t56-/m0/s1",KORACWLHVSQJCT,JOHQWJHESA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",KORACWLHVSQJCT-JOHQWJHESA-N
HMDB44621,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,35,38,44,47,56H,4-6,8-9,11-15,17-18,20-24,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,38-35-,47-44-/t56-/m0/s1",GHHHITDCMKBADC,FWNHTTNISA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",GHHHITDCMKBADC-FWNHTTNISA-N
HMDB44622,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,37,40,46,49,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,40-37-,49-46-/t58-/m0/s1",LUFWQHOTGWCDEI,DBFHUUMTSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",LUFWQHOTGWCDEI-DBFHUUMTSA-N
HMDB44623,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,8-9,11-15,17-18,20-24,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-/t58-/m0/s1",VTGIKJJSEBNXKP,QDHARDOZSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",VTGIKJJSEBNXKP-QDHARDOZSA-N
HMDB44624,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,39,42,48,51,60H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-,42-39-,51-48-/t60-/m0/s1",OOWBWHZLOAXAST,ZWAOLSGCSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",OOWBWHZLOAXAST-ZWAOLSGCSA-N
HMDB44625,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,41,44,50,53,62H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-,44-41-,53-50-/t62-/m0/s1",WXGNEJKPOOKQOG,GETIFEKWSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",WXGNEJKPOOKQOG-GETIFEKWSA-N
HMDB44626,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,38,44,47,56H,4-6,8-9,11-15,18,21-24,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,47-44-/t56-/m0/s1",YJNNPFIMVQPPQV,VKOHDZILSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",YJNNPFIMVQPPQV-VKOHDZILSA-N
HMDB44627,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,37-38,40,44,47,56H,4-6,8-9,11-15,18,21-24,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-/t56-/m0/s1",IXNKUAVBSAJEIR,MCQMTRFLSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",IXNKUAVBSAJEIR-MCQMTRFLSA-N
HMDB44628,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,37,40,46,49,58H,4-6,8-9,11-15,18,21-24,29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,40-37-,49-46-/t58-/m0/s1",VNUWJHACQCAETG,SQJHFCOQSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",VNUWJHACQCAETG-SQJHFCOQSA-N
HMDB44629,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,40,46,49,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-/t58-/m0/s1",OQVYTEGCOCJONM,BPPXUNOCSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",OQVYTEGCOCJONM-BPPXUNOCSA-N
HMDB44630,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-/t58-/m0/s1",CSNFEWRUUGABCD,SVFOPXMGSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",CSNFEWRUUGABCD-SVFOPXMGSA-N
HMDB44631,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,34,39,42,48,51,60H,4-7,9-10,12-15,18,21-24,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,42-39-,51-48-/t60-/m0/s1",RKCXETNTKLONSQ,MAIVSZGYSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",RKCXETNTKLONSQ-MAIVSZGYSA-N
HMDB44632,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,38-39,41-42,48,51,60H,4-7,9-10,12-15,18,21-24,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-/t60-/m0/s1",BKNNALCUTFKXQS,PGTFXPQGSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",BKNNALCUTFKXQS-PGTFXPQGSA-N
HMDB44633,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,38-39,41-42,47-48,50-51,60H,4-7,9-10,12-15,18,21-24,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-/t60-/m0/s1",LSBAYMYULGHGQO,YFBBKOKWSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LSBAYMYULGHGQO-YFBBKOKWSA-N
HMDB44634,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,38,44,47,56H,4-6,9,12-15,18,21-24,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,47-44-/t56-/m0/s1",BZUMTISSRAZIGC,WUXINBHBSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",BZUMTISSRAZIGC-WUXINBHBSA-N
HMDB44635,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,37-38,40,44,47,56H,4-6,9,12-15,18,21-24,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-/t56-/m0/s1",HVQHSPKMXFTMBE,CSSRXDIBSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",HVQHSPKMXFTMBE-CSSRXDIBSA-N
HMDB44636,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,40,46,49,58H,4-6,9,12-15,18,21-24,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-/t58-/m0/s1",YMGFMCWEWDFNKS,PTQZYINHSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",YMGFMCWEWDFNKS-PTQZYINHSA-N
HMDB44637,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,9,12-15,18,21-24,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-/t58-/m0/s1",FPEZLWDATYZAAB,IFVHAZKQSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FPEZLWDATYZAAB-IFVHAZKQSA-N
HMDB44638,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-39,41-42,48,51,60H,4-6,9,12-15,18,21-24,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-/t60-/m0/s1",LVRSHDOEDJOBJJ,DSSMBJFESA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LVRSHDOEDJOBJJ-DSSMBJFESA-N
HMDB44639,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-39,41-42,47-48,50-51,60H,4-6,9,12-15,18,21-24,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-/t60-/m0/s1",VLEDHTUUVAXNOJ,WJBWTTGGSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VLEDHTUUVAXNOJ-WJBWTTGGSA-N
HMDB44640,892.788376449,C59H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,35,38,44,47,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,38-35-,47-44-/t57-/m1/s1",FELVONPKBCNUBU,QYXCHJEXSA,N,"TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",FELVONPKBCNUBU-QYXCHJEXSA-N
HMDB44641,820.788376438,C53H104O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H104O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h51H,4-50H2,1-3H3",ONPWTSUSCWFPSY,UHFFFAOYSA,N,TG(16:0/o-18:0/16:0),ONPWTSUSCWFPSY-UHFFFAOYSA-N
HMDB44642,848.819676578,C55H108O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1",BDDYBGRFAADVJJ,DTSDQNDWSA,N,TG(16:0/o-18:0/18:0),BDDYBGRFAADVJJ-DTSDQNDWSA-N
HMDB44643,876.850976706,C57H112O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m0/s1",FPBBGJFVHOTVDS,GNFJTHHVSA,N,TG(16:0/o-18:0/20:0),FPBBGJFVHOTVDS-GNFJTHHVSA-N
HMDB44644,904.882276835,C59H116O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m0/s1",YALMUBMISFSNCI,SMWREMLRSA,N,TG(16:0/o-18:0/22:0),YALMUBMISFSNCI-SMWREMLRSA-N
HMDB44645,932.913576964,C61H120O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-58-59(57-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3/t59-/m0/s1",DHOLSVAKFBASDS,MNPYLUJASA,N,TG(16:0/o-18:0/24:0),DHOLSVAKFBASDS-MNPYLUJASA-N
HMDB44646,790.741426256,C51H98O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H98O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)48-56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h15,18,49H,4-14,16-17,19-48H2,1-3H3/b18-15-/t49-/m1/s1",PEKNSAZLJDZBED,FBUBQAPCSA,N,TG(16:0/o-18:0/14:1(9Z)),PEKNSAZLJDZBED-FBUBQAPCSA-N
HMDB44647,818.772726384,C53H102O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/m1/s1",NFYVLCIMBINRFO,FECCDXIYSA,N,TG(16:0/o-18:0/16:1(9Z)),NFYVLCIMBINRFO-FECCDXIYSA-N
HMDB44648,846.804026513,C55H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-/t53-/m0/s1",HTFZBWPHGZEFJU,SEXWVFGWSA,N,TG(16:0/o-18:0/18:1(11Z)),HTFZBWPHGZEFJU-SEXWVFGWSA-N
HMDB44649,846.804026513,C55H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,53H,4-25,27,29-52H2,1-3H3/b28-26-/t53-/m0/s1",JPBYHVQUOOKCGQ,ZNYBSJEJSA,N,TG(16:0/o-18:0/18:1(9Z)),JPBYHVQUOOKCGQ-ZNYBSJEJSA-N
HMDB44650,874.835326642,C57H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m0/s1",XTQUNVXMTVIEJG,AFHCKBSLSA,N,TG(16:0/o-18:0/20:1(11Z)),XTQUNVXMTVIEJG-AFHCKBSLSA-N
HMDB44651,870.804026513,C57H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,33,39,42,55H,4-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b27-25-,33-30-,42-39-/t55-/m0/s1",LLMPANOXXMGKRF,XLRYZWMHSA,N,"TG(16:0/o-18:0/20:3(5Z,8Z,11Z))",LLMPANOXXMGKRF-XLRYZWMHSA-N
HMDB44652,902.866626771,C59H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-/t57-/m0/s1",SXBWOXCOXHTAAM,QWQBRNDCSA,N,TG(16:0/o-18:0/22:1(13Z)),SXBWOXCOXHTAAM-QWQBRNDCSA-N
HMDB44653,930.8979269,C61H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-58-59(57-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-/t59-/m0/s1",LOBVNKCGKLYTTQ,UZFPNTDRSA,N,TG(16:0/o-18:0/24:1(15Z)),LOBVNKCGKLYTTQ-UZFPNTDRSA-N
HMDB44654,844.788376449,C55H104O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,53H,4-16,18-19,21-25,27,29-52H2,1-3H3/b20-17-,28-26-/t53-/m0/s1",OFTSBZBUUPWTCY,YSPMKAJLSA,N,"TG(16:0/o-18:0/18:2(9Z,12Z))",OFTSBZBUUPWTCY-YSPMKAJLSA-N
HMDB44655,842.772726384,C55H102O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,37,53H,4-16,18-19,21-25,27,29-33,35-36,38-52H2,1-3H3/b20-17-,28-26-,37-34-/t53-/m0/s1",FBJIMBUHNICHHH,SNPAGUQISA,N,"TG(16:0/o-18:0/18:3(6Z,9Z,12Z))",FBJIMBUHNICHHH-SNPAGUQISA-N
HMDB44656,872.819676578,C57H108O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-/t55-/m0/s1",DNHNYMTWOCXQJF,ZBSMQTIBSA,N,TG(16:0/o-18:0/20:2n6),DNHNYMTWOCXQJF-ZBSMQTIBSA-N
HMDB44657,870.804026513,C57H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,55H,4-15,17-18,20-24,26,28-29,31-32,34-54H2,1-3H3/b19-16-,27-25-,33-30-/t55-/m0/s1",QYHOZSHVNKWJLV,FOVPWYMNSA,N,TG(16:0/o-18:0/20:3n6),QYHOZSHVNKWJLV-FOVPWYMNSA-N
HMDB44658,868.788376449,C57H104O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,39,42,55H,4-15,17-18,20-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b19-16-,27-25-,33-30-,42-39-/t55-/m0/s1",XGUVLROHLQCRKO,ZJVHBQSJSA,N,"TG(16:0/o-18:0/20:4(5Z,8Z,11Z,14Z))",XGUVLROHLQCRKO-ZJVHBQSJSA-N
HMDB44659,900.850976706,C59H112O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-/t57-/m0/s1",RUVUJZWBOUFWTN,UVWMBFROSA,N,"TG(16:0/o-18:0/22:2(13Z,16Z))",RUVUJZWBOUFWTN-UVWMBFROSA-N
HMDB44660,896.819676578,C59H108O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,35,38,57H,4-15,17-18,20-24,26,28-29,32-34,36-37,39-56H2,1-3H3/b19-16-,27-25-,31-30-,38-35-/t57-/m0/s1",SKKJLHFTVBOPAP,ASALHGDESA,N,"TG(16:0/o-18:0/22:4(7Z,10Z,13Z,16Z))",SKKJLHFTVBOPAP-ASALHGDESA-N
HMDB44661,894.804026513,C59H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,35,38,44,47,57H,4-15,17-18,20-24,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,27-25-,31-30-,38-35-,47-44-/t57-/m0/s1",PJBOTURFGVGHGV,SPGIMMRLSA,N,"TG(16:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",PJBOTURFGVGHGV-SPGIMMRLSA-N
HMDB44662,842.772726384,C55H102O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,53H,4-7,9-10,12-16,18-19,21-25,27,29-52H2,1-3H3/b11-8-,20-17-,28-26-/t53-/m0/s1",IAFYDEPWYHOLIH,LEHRLSSESA,N,"TG(16:0/o-18:0/18:3(9Z,12Z,15Z))",IAFYDEPWYHOLIH-LEHRLSSESA-N
HMDB44663,840.75707632,C55H100O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,37,53H,4-7,9-10,12-16,18-19,21-25,27,29-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,28-26-,37-34-/t53-/m0/s1",CPYCFVOZYSHYNI,SDGXFSFRSA,N,"TG(16:0/o-18:0/18:4(6Z,9Z,12Z,15Z))",CPYCFVOZYSHYNI-SDGXFSFRSA-N
HMDB44664,868.788376449,C57H104O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,55H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,33-30-/t55-/m0/s1",LKASLILCGPZWOF,IITLLJDESA,N,"TG(16:0/o-18:0/20:4(8Z,11Z,14Z,17Z))",LKASLILCGPZWOF-IITLLJDESA-N
HMDB44665,866.772726384,C57H102O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,39,42,55H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,27-25-,33-30-,42-39-/t55-/m0/s1",PQQIAQSGMRDMKV,JQJNNHAYSA,N,"TG(16:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",PQQIAQSGMRDMKV-JQJNNHAYSA-N
HMDB44666,894.804026513,C59H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,35,38,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,38-35-/t57-/m0/s1",AZRHPROVKVNSDY,YUCWLCFGSA,N,"TG(16:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",AZRHPROVKVNSDY-YUCWLCFGSA-N
HMDB44667,892.788376449,C59H104O5,[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,35,38,44,47,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,38-35-,47-44-/t57-/m0/s1",PMYWVKBUTBGLGT,NEYUCZCWSA,N,"TG(16:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PMYWVKBUTBGLGT-NEYUCZCWSA-N
HMDB44669,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",HJEQCKMDMJGXMD,MPLRIKRWSA,N,TG(18:0/14:0/20:0),HJEQCKMDMJGXMD-MPLRIKRWSA-N
HMDB44670,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",XYOXMSBGAFKJMQ,XSMLMOGHSA,N,TG(18:0/14:0/22:0),XYOXMSBGAFKJMQ-XSMLMOGHSA-N
HMDB44671,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",XIAPZUPQTBWOBU,UWGNJQTFSA,N,TG(18:0/14:0/24:0),XIAPZUPQTBWOBU-UWGNJQTFSA-N
HMDB44672,776.689390682,C49H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14,17,46H,4-13,15-16,18-45H2,1-3H3/b17-14-/t46-/m1/s1",QNOCBKLVZJHOFS,JPSWPIJQSA,N,TG(18:0/14:0/14:1(9Z)),QNOCBKLVZJHOFS-JPSWPIJQSA-N
HMDB44676,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h24,26,52H,4-23,25,27-51H2,1-3H3/b26-24-/t52-/m0/s1",PFBOVUNWZKTNPX,QYJPBPLVSA,N,TG(18:0/14:0/20:1(11Z)),PFBOVUNWZKTNPX-QYJPBPLVSA-N
HMDB44677,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h24,26,29,31,36,39,52H,4-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b26-24-,31-29-,39-36-/t52-/m0/s1",RHVDDKIIECRCMU,DLKASECUSA,N,"TG(18:0/14:0/20:3(5Z,8Z,11Z))",RHVDDKIIECRCMU-DLKASECUSA-N
HMDB44678,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h24,26,54H,4-23,25,27-53H2,1-3H3/b26-24-/t54-/m0/s1",CQDCLPYZVBWAGY,ULQCEOSSSA,N,TG(18:0/14:0/22:1(13Z)),CQDCLPYZVBWAGY-ULQCEOSSSA-N
HMDB44679,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h24,26,56H,4-23,25,27-55H2,1-3H3/b26-24-/t56-/m0/s1",PDFSKQVPIUDFLH,LIZMGIQCSA,N,TG(18:0/14:0/24:1(15Z)),PDFSKQVPIUDFLH-LIZMGIQCSA-N
HMDB44681,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,31,33,50H,4-15,17-18,20-23,25,27-30,32,34-49H2,1-3H3/b19-16-,26-24-,33-31-/t50-/m1/s1",BKTZUQUFCIDUAC,SWBMTCHPSA,N,"TG(18:0/14:0/18:3(6Z,9Z,12Z))",BKTZUQUFCIDUAC-SWBMTCHPSA-N
HMDB44682,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,52H,4-15,17-18,20-23,25,27-51H2,1-3H3/b19-16-,26-24-/t52-/m0/s1",PPYHKWUOACAWNG,QZLSUQTPSA,N,TG(18:0/14:0/20:2n6),PPYHKWUOACAWNG-QZLSUQTPSA-N
HMDB44683,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,52H,4-15,17-18,20-23,25,27-28,30,32-51H2,1-3H3/b19-16-,26-24-,31-29-/t52-/m0/s1",PODGNDQRHPDVSY,XWDYBTQUSA,N,TG(18:0/14:0/20:3n6),PODGNDQRHPDVSY-XWDYBTQUSA-N
HMDB44684,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,36,39,52H,4-15,17-18,20-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b19-16-,26-24-,31-29-,39-36-/t52-/m0/s1",CGGGYFOEDPAUDL,SFPILKAFSA,N,"TG(18:0/14:0/20:4(5Z,8Z,11Z,14Z))",CGGGYFOEDPAUDL-SFPILKAFSA-N
HMDB44685,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,54H,4-15,17-18,20-23,25,27-53H2,1-3H3/b19-16-,26-24-/t54-/m0/s1",RYHAEDSNVIEOLW,CVPIKHQZSA,N,"TG(18:0/14:0/22:2(13Z,16Z))",RYHAEDSNVIEOLW-CVPIKHQZSA-N
HMDB44686,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,33,36,54H,4-15,17-18,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b19-16-,26-24-,29-28-,36-33-/t54-/m0/s1",KMUBMOMDOAVSGD,ZSPFYABHSA,N,"TG(18:0/14:0/22:4(7Z,10Z,13Z,16Z))",KMUBMOMDOAVSGD-ZSPFYABHSA-N
HMDB44687,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,33,36,41,44,54H,4-15,17-18,20-23,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b19-16-,26-24-,29-28-,36-33-,44-41-/t54-/m0/s1",ZNJHBXLEVATVCP,LTEQPIAUSA,N,"TG(18:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZNJHBXLEVATVCP-LTEQPIAUSA-N
HMDB44688,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,50H,4-6,8-9,11-15,17-18,20-23,25,27-49H2,1-3H3/b10-7-,19-16-,26-24-/t50-/m1/s1",GZDRGLCGWCZYIX,RUNKTZMNSA,N,"TG(18:0/14:0/18:3(9Z,12Z,15Z))",GZDRGLCGWCZYIX-RUNKTZMNSA-N
HMDB44689,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,31,33,50H,4-6,8-9,11-15,17-18,20-23,25,27-30,32,34-49H2,1-3H3/b10-7-,19-16-,26-24-,33-31-/t50-/m1/s1",HNBKANUJSJRODN,ODCFEHPESA,N,"TG(18:0/14:0/18:4(6Z,9Z,12Z,15Z))",HNBKANUJSJRODN-ODCFEHPESA-N
HMDB44690,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,52H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-51H2,1-3H3/b10-7-,19-16-,26-24-,31-29-/t52-/m0/s1",VPDFVPBHZXSTTQ,NOYULHPQSA,N,"TG(18:0/14:0/20:4(8Z,11Z,14Z,17Z))",VPDFVPBHZXSTTQ-NOYULHPQSA-N
HMDB44691,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,36,39,52H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,39-36-/t52-/m0/s1",GGCGDJPSQJXGBG,FTQYIZGESA,N,"TG(18:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",GGCGDJPSQJXGBG-FTQYIZGESA-N
HMDB44692,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,28-29,33,36,54H,4-6,8-9,11-15,17-18,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,36-33-/t54-/m0/s1",ZSFGHQACWUKLCX,SIQVBALXSA,N,"TG(18:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",ZSFGHQACWUKLCX-SIQVBALXSA-N
HMDB44693,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,28-29,33,36,41,44,54H,4-6,8-9,11-15,17-18,20-23,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,36-33-,44-41-/t54-/m0/s1",XKTILVHAAMVTLS,XGKSUACOSA,N,"TG(18:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XKTILVHAAMVTLS-XGKSUACOSA-N
HMDB44694,820.788376449,C53H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H104O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m1/s1",RMOVUMYTMRCDLN,NLXJDERGSA,N,TG(18:0/14:0/o-18:0),RMOVUMYTMRCDLN-NLXJDERGSA-N
HMDB44695,848.78329106,C54H104O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3",DCKLGXCUEAGBFQ,UHFFFAOYSA,N,TG(18:0/15:0/18:0),DCKLGXCUEAGBFQ-UHFFFAOYSA-N
HMDB44696,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1",AZSKCMWKXASUKS,DTSDQNDWSA,N,TG(18:0/15:0/20:0),AZSKCMWKXASUKS-DTSDQNDWSA-N
HMDB44697,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m0/s1",LCYFIAYXCFIVIW,GNFJTHHVSA,N,TG(18:0/15:0/22:0),LCYFIAYXCFIVIW-GNFJTHHVSA-N
HMDB44698,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m0/s1",WVTPRTFKNCGDMB,SMWREMLRSA,N,TG(18:0/15:0/24:0),WVTPRTFKNCGDMB-SMWREMLRSA-N
HMDB44699,790.705040747,C50H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,47H,4-14,16-17,19-46H2,1-3H3/b18-15-/t47-/m1/s1",POEMAXWBRPFZKX,PDJUYAFRSA,N,TG(18:0/15:0/14:1(9Z)),POEMAXWBRPFZKX-PDJUYAFRSA-N
HMDB44700,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-/t49-/m1/s1",ZPPRXSIIYZXCGY,KMTXBVSESA,N,TG(18:0/15:0/16:1(9Z)),ZPPRXSIIYZXCGY-KMTXBVSESA-N
HMDB44701,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,51H,4-18,20-21,23-50H2,1-3H3/b22-19-/t51-/m1/s1",JAEWLKAOZNTTMZ,JXQCBWIWSA,N,TG(18:0/15:0/18:1(11Z)),JAEWLKAOZNTTMZ-JXQCBWIWSA-N
HMDB44702,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,51H,4-24,26,28-50H2,1-3H3/b27-25-/t51-/m1/s1",APVPOBGVVXVJSH,IWRJKWNLSA,N,TG(18:0/15:0/18:1(9Z)),APVPOBGVVXVJSH-IWRJKWNLSA-N
HMDB44703,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27,53H,4-24,26,28-52H2,1-3H3/b27-25-/t53-/m0/s1",SUBSFELBNUSAPW,HTYJDIEESA,N,TG(18:0/15:0/20:1(11Z)),SUBSFELBNUSAPW-HTYJDIEESA-N
HMDB44704,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27,30,32,37,40,53H,4-24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b27-25-,32-30-,40-37-/t53-/m0/s1",BKXAFLASIYSQOA,BJHMDNJISA,N,"TG(18:0/15:0/20:3(5Z,8Z,11Z))",BKXAFLASIYSQOA-BJHMDNJISA-N
HMDB44705,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m0/s1",QQRWPNSSEOUILI,AFHCKBSLSA,N,TG(18:0/15:0/22:1(13Z)),QQRWPNSSEOUILI-AFHCKBSLSA-N
HMDB44706,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-/t57-/m0/s1",UJHBJLBYMKGLPO,QWQBRNDCSA,N,TG(18:0/15:0/24:1(15Z)),UJHBJLBYMKGLPO-QWQBRNDCSA-N
HMDB44707,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,51H,4-15,17-18,20-24,26,28-50H2,1-3H3/b19-16-,27-25-/t51-/m1/s1",CCQQOTNEEAOOSQ,TXWVTNJISA,N,"TG(18:0/15:0/18:2(9Z,12Z))",CCQQOTNEEAOOSQ-TXWVTNJISA-N
HMDB44708,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,32,34,51H,4-15,17-18,20-24,26,28-31,33,35-50H2,1-3H3/b19-16-,27-25-,34-32-/t51-/m1/s1",SAZSVOQHSUNCSC,JADYITACSA,N,"TG(18:0/15:0/18:3(6Z,9Z,12Z))",SAZSVOQHSUNCSC-JADYITACSA-N
HMDB44709,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,53H,4-15,17-18,20-24,26,28-52H2,1-3H3/b19-16-,27-25-/t53-/m0/s1",UUJMSNLDAVPQCQ,XUAZCYQCSA,N,TG(18:0/15:0/20:2n6),UUJMSNLDAVPQCQ-XUAZCYQCSA-N
HMDB44710,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,53H,4-15,17-18,20-24,26,28-29,31,33-52H2,1-3H3/b19-16-,27-25-,32-30-/t53-/m0/s1",BTJORIJBIVXDEB,LIIRJLGKSA,N,TG(18:0/15:0/20:3n6),BTJORIJBIVXDEB-LIIRJLGKSA-N
HMDB44711,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,37,40,53H,4-15,17-18,20-24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b19-16-,27-25-,32-30-,40-37-/t53-/m0/s1",ZLLBKFSHPQKBRU,LOQCSCRZSA,N,"TG(18:0/15:0/20:4(5Z,8Z,11Z,14Z))",ZLLBKFSHPQKBRU-LOQCSCRZSA-N
HMDB44712,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-/t55-/m0/s1",GFFCBNJASOEPCF,ZBSMQTIBSA,N,"TG(18:0/15:0/22:2(13Z,16Z))",GFFCBNJASOEPCF-ZBSMQTIBSA-N
HMDB44713,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,55H,4-15,17-18,20-24,26,28,31-33,35-36,38-54H2,1-3H3/b19-16-,27-25-,30-29-,37-34-/t55-/m0/s1",ZMDXJSHVNGLQDM,LMZBEZNESA,N,"TG(18:0/15:0/22:4(7Z,10Z,13Z,16Z))",ZMDXJSHVNGLQDM-LMZBEZNESA-N
HMDB44714,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,42,45,55H,4-15,17-18,20-24,26,28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b19-16-,27-25-,30-29-,37-34-,45-42-/t55-/m0/s1",VLSPJGXJQZYZMA,IFGJJVRHSA,N,"TG(18:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",VLSPJGXJQZYZMA-IFGJJVRHSA-N
HMDB44715,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,51H,4-6,8-9,11-15,17-18,20-24,26,28-50H2,1-3H3/b10-7-,19-16-,27-25-/t51-/m1/s1",XBEBXEQYPIBWCY,ZCTUBHHNSA,N,"TG(18:0/15:0/18:3(9Z,12Z,15Z))",XBEBXEQYPIBWCY-ZCTUBHHNSA-N
HMDB44716,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,32,34,51H,4-6,8-9,11-15,17-18,20-24,26,28-31,33,35-50H2,1-3H3/b10-7-,19-16-,27-25-,34-32-/t51-/m1/s1",MEJIZKXADHPTDA,FDOIHWTPSA,N,"TG(18:0/15:0/18:4(6Z,9Z,12Z,15Z))",MEJIZKXADHPTDA-FDOIHWTPSA-N
HMDB44717,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-52H2,1-3H3/b10-7-,19-16-,27-25-,32-30-/t53-/m0/s1",HOECXVZXGFUUDD,FRVNCVSUSA,N,"TG(18:0/15:0/20:4(8Z,11Z,14Z,17Z))",HOECXVZXGFUUDD-FRVNCVSUSA-N
HMDB44718,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,37,40,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,40-37-/t53-/m0/s1",LLBSXSBZAIUHHS,QAKIWCGHSA,N,"TG(18:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",LLBSXSBZAIUHHS-QAKIWCGHSA-N
HMDB44719,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-/t55-/m0/s1",JMWMYVYYVJLTRC,YPSBCCQNSA,N,"TG(18:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",JMWMYVYYVJLTRC-YPSBCCQNSA-N
HMDB44720,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,42,45,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-,45-42-/t55-/m0/s1",NNKBSANOLJKORF,MYAHAKQOSA,N,"TG(18:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NNKBSANOLJKORF-MYAHAKQOSA-N
HMDB44721,834.804026513,C54H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H106O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m1/s1",WWALQLGZMRKKKS,OIVUAWODSA,N,TG(18:0/15:0/o-18:0),WWALQLGZMRKKKS-OIVUAWODSA-N
HMDB44722,862.798941124,C55H106O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3",ZGVGTPFSVCXVNJ,UHFFFAOYSA,N,TG(18:0/16:0/18:0),ZGVGTPFSVCXVNJ-UHFFFAOYSA-N
HMDB44723,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1",IANFDHQXCCFEQH,XSMLMOGHSA,N,TG(18:0/16:0/20:0),IANFDHQXCCFEQH-XSMLMOGHSA-N
HMDB44724,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",BCUTVUFLSAJHPN,UWGNJQTFSA,N,TG(18:0/16:0/22:0),BCUTVUFLSAJHPN-UWGNJQTFSA-N
HMDB44725,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",CNZLBLKMTFIKLG,XKJQNMSGSA,N,TG(18:0/16:0/24:0),CNZLBLKMTFIKLG-XKJQNMSGSA-N
HMDB44726,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-/t48-/m1/s1",CUFCTEMVUZUBLI,WGIOATGOSA,N,TG(18:0/16:0/14:1(9Z)),CUFCTEMVUZUBLI-WGIOATGOSA-N
HMDB44727,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-/t50-/m1/s1",LMDVTYBAQFZPCR,DKKVYINCSA,N,TG(18:0/16:0/16:1(9Z)),LMDVTYBAQFZPCR-DKKVYINCSA-N
HMDB44729,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25-/t52-/m1/s1",WRXCJQWYSUUELD,FQUZZJBASA,N,TG(18:0/16:0/18:1(9Z)),WRXCJQWYSUUELD-FQUZZJBASA-N
HMDB44730,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-/t54-/m0/s1",ZKAJTUDTPFXDPB,SEDDCBKKSA,N,TG(18:0/16:0/20:1(11Z)),ZKAJTUDTPFXDPB-SEDDCBKKSA-N
HMDB44731,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27,30,33,38,41,54H,4-24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b27-25-,33-30-,41-38-/t54-/m0/s1",MIAZWSJURHHRMR,GEHCCJHRSA,N,"TG(18:0/16:0/20:3(5Z,8Z,11Z))",MIAZWSJURHHRMR-GEHCCJHRSA-N
HMDB44732,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m0/s1",AFMQYZXPYJFAPA,WOGGMIHASA,N,TG(18:0/16:0/22:1(13Z)),AFMQYZXPYJFAPA-WOGGMIHASA-N
HMDB44733,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m0/s1",TWCWIUVBWNQZCK,YLFQOLFFSA,N,TG(18:0/16:0/24:1(15Z)),TWCWIUVBWNQZCK-YLFQOLFFSA-N
HMDB44734,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,52H,4-15,17-18,20-24,26,28-51H2,1-3H3/b19-16-,27-25-/t52-/m1/s1",SXWAFZSPSNNGGS,AXYZMXSISA,N,"TG(18:0/16:0/18:2(9Z,12Z))",SXWAFZSPSNNGGS-AXYZMXSISA-N
HMDB44735,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,32,35,52H,4-15,17-18,20-24,26,28-31,33-34,36-51H2,1-3H3/b19-16-,27-25-,35-32-/t52-/m1/s1",HFPMGYAXBUYRKI,UEZFUHSISA,N,"TG(18:0/16:0/18:3(6Z,9Z,12Z))",HFPMGYAXBUYRKI-UEZFUHSISA-N
HMDB44736,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,54H,4-15,17-18,20-24,26,28-53H2,1-3H3/b19-16-,27-25-/t54-/m0/s1",NOKYIYORYFRAGK,LFLBGDHZSA,N,TG(18:0/16:0/20:2n6),NOKYIYORYFRAGK-LFLBGDHZSA-N
HMDB44737,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,54H,4-15,17-18,20-24,26,28-29,31-32,34-53H2,1-3H3/b19-16-,27-25-,33-30-/t54-/m0/s1",JKGVPFAPBARTLP,YQUMZMGISA,N,TG(18:0/16:0/20:3n6),JKGVPFAPBARTLP-YQUMZMGISA-N
HMDB44738,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,38,41,54H,4-15,17-18,20-24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,33-30-,41-38-/t54-/m0/s1",PJEBJEMINBSXRV,KEUVTSRESA,N,"TG(18:0/16:0/20:4(5Z,8Z,11Z,14Z))",PJEBJEMINBSXRV-KEUVTSRESA-N
HMDB44739,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-/t56-/m0/s1",YCBZYOWJNQIJSW,AFBXCYEQSA,N,"TG(18:0/16:0/22:2(13Z,16Z))",YCBZYOWJNQIJSW-AFBXCYEQSA-N
HMDB44740,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,35,37,56H,4-15,17-18,20-24,26,28,31-34,36,38-55H2,1-3H3/b19-16-,27-25-,30-29-,37-35-/t56-/m0/s1",QCKUCNOSLNTNFL,CICBZTHCSA,N,"TG(18:0/16:0/22:4(7Z,10Z,13Z,16Z))",QCKUCNOSLNTNFL-CICBZTHCSA-N
HMDB44741,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,35,37,43,46,56H,4-15,17-18,20-24,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,30-29-,37-35-,46-43-/t56-/m0/s1",CNWLAXNTCOEYHR,QXOLJZQOSA,N,"TG(18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",CNWLAXNTCOEYHR-QXOLJZQOSA-N
HMDB44743,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,32,35,52H,4-6,8-9,11-15,17-18,20-24,26,28-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,27-25-,35-32-/t52-/m1/s1",CHENFSHDAGNKNN,XRLRKWQTSA,N,"TG(18:0/16:0/18:4(6Z,9Z,12Z,15Z))",CHENFSHDAGNKNN-XRLRKWQTSA-N
HMDB44744,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,27-25-,33-30-/t54-/m0/s1",PTRBUWWBGNLWCI,NRHFPUSWSA,N,"TG(18:0/16:0/20:4(8Z,11Z,14Z,17Z))",PTRBUWWBGNLWCI-NRHFPUSWSA-N
HMDB44745,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,38,41,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,33-30-,41-38-/t54-/m0/s1",JVXNBCRQHASIJK,SLVIZCAPSA,N,"TG(18:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",JVXNBCRQHASIJK-SLVIZCAPSA-N
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HMDB44773,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,30-31,36,39,58H,4-6,8-9,11-15,17-18,20-24,26-27,29,32-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,39-36-/t58-/m0/s1",SRYYVIJJOHXIGQ,HVAKWZNSSA,N,"TG(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",SRYYVIJJOHXIGQ-HVAKWZNSSA-N
HMDB44774,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,30-31,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,39-36-,48-45-/t58-/m0/s1",BFXHBMAQQCDBSZ,IVZZJJBESA,N,"TG(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BFXHBMAQQCDBSZ-IVZZJJBESA-N
HMDB44775,876.850976706,C57H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m1/s1",JLOBYDSBVACMBK,KZRJWCEASA,N,TG(18:0/18:0/o-18:0),JLOBYDSBVACMBK-KZRJWCEASA-N
HMDB44776,918.86154138,C59H114O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h56H,4-55H2,1-3H3",JLAAFTIPPGTWKB,UHFFFAOYSA,N,TG(18:0/20:0/18:0),JLAAFTIPPGTWKB-UHFFFAOYSA-N
HMDB44778,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m0/s1",HFAVJFLUFWVWGB,WDLSKMLESA,N,TG(18:0/20:0/22:0),HFAVJFLUFWVWGB-WDLSKMLESA-N
HMDB44779,1002.955441777,C65H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3/t62-/m0/s1",XCAHIRRCQBRAPD,PNVGIOEQSA,N,TG(18:0/20:0/24:0),XCAHIRRCQBRAPD-PNVGIOEQSA-N
HMDB44780,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-/t52-/m1/s1",WDJXVVJFAZUTFM,AYIAWJIRSA,N,TG(18:0/20:0/14:1(9Z)),WDJXVVJFAZUTFM-AYIAWJIRSA-N
HMDB44781,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,54H,4-20,22-23,25-53H2,1-3H3/b24-21-/t54-/m1/s1",DATRBAYWFQZJEM,YWGGJCCTSA,N,TG(18:0/20:0/16:1(9Z)),DATRBAYWFQZJEM-YWGGJCCTSA-N
HMDB44782,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-/t56-/m1/s1",GZBPQMRKEPSOQQ,BUKBLQRKSA,N,TG(18:0/20:0/18:1(11Z)),GZBPQMRKEPSOQQ-BUKBLQRKSA-N
HMDB44783,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h26,30,56H,4-25,27-29,31-55H2,1-3H3/b30-26-/t56-/m1/s1",PMGLNPPJDNWBFI,KMWQWKMBSA,N,TG(18:0/20:0/18:1(9Z)),PMGLNPPJDNWBFI-KMWQWKMBSA-N
HMDB44785,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,33,36,42,45,58H,4-24,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b28-25-,36-33-,45-42-/t58-/m0/s1",IMVQRDFIBOZOMA,UGTFNXFHSA,N,"TG(18:0/20:0/20:3(5Z,8Z,11Z))",IMVQRDFIBOZOMA-UGTFNXFHSA-N
HMDB44786,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25,28,60H,4-24,26-27,29-59H2,1-3H3/b28-25-/t60-/m0/s1",APCPZQYJQIVCIQ,HZLQDPIMSA,N,TG(18:0/20:0/22:1(13Z)),APCPZQYJQIVCIQ-HZLQDPIMSA-N
HMDB44787,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-/t62-/m0/s1",UNPLDWFDJQGFCC,VSNPLYMRSA,N,TG(18:0/20:0/24:1(15Z)),UNPLDWFDJQGFCC-VSNPLYMRSA-N
HMDB44788,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,26,30,56H,4-16,18-19,21-25,27-29,31-55H2,1-3H3/b20-17-,30-26-/t56-/m1/s1",XVCFHZCPVLNAMA,BSPWMJLXSA,N,"TG(18:0/20:0/18:2(9Z,12Z))",XVCFHZCPVLNAMA-BSPWMJLXSA-N
HMDB44789,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,26,30,36,39,56H,4-16,18-19,21-25,27-29,31-35,37-38,40-55H2,1-3H3/b20-17-,30-26-,39-36-/t56-/m1/s1",VCDCFLNSIOWEHF,HMDUPXRASA,N,"TG(18:0/20:0/18:3(6Z,9Z,12Z))",VCDCFLNSIOWEHF-HMDUPXRASA-N
HMDB44790,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,58H,4-15,17-18,20-24,26-27,29-57H2,1-3H3/b19-16-,28-25-/t58-/m0/s1",PFPODELEONWMHD,UAHPIIFWSA,N,TG(18:0/20:0/20:2n6),PFPODELEONWMHD-UAHPIIFWSA-N
HMDB44791,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,58H,4-15,17-18,20-24,26-27,29-32,34-35,37-57H2,1-3H3/b19-16-,28-25-,36-33-/t58-/m0/s1",ATLSKDGFHXWZQX,LBLMAAEJSA,N,TG(18:0/20:0/20:3n6),ATLSKDGFHXWZQX-LBLMAAEJSA-N
HMDB44793,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,60H,4-15,17-18,20-24,26-27,29-59H2,1-3H3/b19-16-,28-25-/t60-/m0/s1",HFPSXYRYGSJWEL,NUXSQISZSA,N,"TG(18:0/20:0/22:2(13Z,16Z))",HFPSXYRYGSJWEL-NUXSQISZSA-N
HMDB44794,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,38,41,60H,4-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,33-31-,41-38-/t60-/m0/s1",WRPAVJZVCFOMOP,ZKHXJDFVSA,N,"TG(18:0/20:0/22:4(7Z,10Z,13Z,16Z))",WRPAVJZVCFOMOP-ZKHXJDFVSA-N
HMDB44795,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,38,41,47,50,60H,4-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,33-31-,41-38-,50-47-/t60-/m0/s1",QCIAAKBWAXWFOI,AZQLJNOYSA,N,"TG(18:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",QCIAAKBWAXWFOI-AZQLJNOYSA-N
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HMDB44797,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,30,36,39,56H,4-7,9-10,12-16,18-19,21-25,27-29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,30-26-,39-36-/t56-/m1/s1",NELBIAWACYGDJM,UWSLNTEVSA,N,"TG(18:0/20:0/18:4(6Z,9Z,12Z,15Z))",NELBIAWACYGDJM-UWSLNTEVSA-N
HMDB44798,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,58H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-57H2,1-3H3/b10-7-,19-16-,28-25-,36-33-/t58-/m0/s1",PBWSYTBHNXUZPG,LRCNZTLDSA,N,"TG(18:0/20:0/20:4(8Z,11Z,14Z,17Z))",PBWSYTBHNXUZPG-LRCNZTLDSA-N
HMDB44799,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,42,45,58H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,45-42-/t58-/m0/s1",QWNRLOXEPIDBCC,IVUCVLODSA,N,"TG(18:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",QWNRLOXEPIDBCC-IVUCVLODSA-N
HMDB44800,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,38,41,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,41-38-/t60-/m0/s1",IPHODDSCNVBUSO,SHMLEVFJSA,N,"TG(18:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",IPHODDSCNVBUSO-SHMLEVFJSA-N
HMDB44801,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,41-38-,50-47-/t60-/m0/s1",NDODQCHGZSBDMO,AKZASNDYSA,N,"TG(18:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NDODQCHGZSBDMO-AKZASNDYSA-N
HMDB44802,904.882276835,C59H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h57H,4-56H2,1-3H3/t57-/m1/s1",UHJOEBAJQLZIEG,ODEQYEIHSA,N,TG(18:0/20:0/o-18:0),UHJOEBAJQLZIEG-ODEQYEIHSA-N
HMDB44803,946.892841508,C61H118O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h58H,4-57H2,1-3H3",NVUJHLONCNZUPE,UHFFFAOYSA,N,TG(18:0/22:0/18:0),NVUJHLONCNZUPE-UHFFFAOYSA-N
HMDB44804,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m0/s1",HSWCRIBHPZYDDA,WDLSKMLESA,N,TG(18:0/22:0/20:0),HSWCRIBHPZYDDA-WDLSKMLESA-N
HMDB44805,1002.955441777,C65H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3/t62-/m0/s1",JFYAITPMPUPERR,PNVGIOEQSA,N,TG(18:0/22:0/22:0),JFYAITPMPUPERR-PNVGIOEQSA-N
HMDB44806,1030.986741906,C67H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3/t64-/m0/s1",QYZYSJYHTOAUOP,JVUALNACSA,N,TG(18:0/22:0/24:0),QYZYSJYHTOAUOP-JVUALNACSA-N
HMDB44807,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-/t54-/m1/s1",HMQDPLNLSJNOFZ,IXHOOSMISA,N,TG(18:0/22:0/14:1(9Z)),HMQDPLNLSJNOFZ-IXHOOSMISA-N
HMDB44808,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-/t56-/m1/s1",RXFCPNVEKZDTFB,SZPKOVDMSA,N,TG(18:0/22:0/16:1(9Z)),RXFCPNVEKZDTFB-SZPKOVDMSA-N
HMDB44809,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20,23,58H,4-19,21-22,24-57H2,1-3H3/b23-20-/t58-/m1/s1",KYYDYICDVPXZJS,ZZMNQIIQSA,N,TG(18:0/22:0/18:1(11Z)),KYYDYICDVPXZJS-ZZMNQIIQSA-N
HMDB44810,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h26,32,58H,4-25,27-31,33-57H2,1-3H3/b32-26-/t58-/m1/s1",UUHRKBQOYTVZFZ,MEEJSIIUSA,N,TG(18:0/22:0/18:1(9Z)),UUHRKBQOYTVZFZ-MEEJSIIUSA-N
HMDB44811,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,60H,4-25,27-28,30-59H2,1-3H3/b29-26-/t60-/m0/s1",UMQZVBBPQUGNIW,WNYHZXHYSA,N,TG(18:0/22:0/20:1(11Z)),UMQZVBBPQUGNIW-WNYHZXHYSA-N
HMDB44812,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,35,38,44,47,60H,4-25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b29-26-,38-35-,47-44-/t60-/m0/s1",BNEOBBHFUOWGMG,WZMHKBLQSA,N,"TG(18:0/22:0/20:3(5Z,8Z,11Z))",BNEOBBHFUOWGMG-WZMHKBLQSA-N
HMDB44813,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-/t62-/m0/s1",CTYRQPMUJDPIBA,VSNPLYMRSA,N,TG(18:0/22:0/22:1(13Z)),CTYRQPMUJDPIBA-VSNPLYMRSA-N
HMDB44814,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-/t64-/m0/s1",QQXDZDUYQPPPIC,VMEFWXSPSA,N,TG(18:0/22:0/24:1(15Z)),QQXDZDUYQPPPIC-VMEFWXSPSA-N
HMDB44815,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,26,32,58H,4-16,18-19,21-25,27-31,33-57H2,1-3H3/b20-17-,32-26-/t58-/m1/s1",VBCHYGJCHLNVFC,VSQDVKCVSA,N,"TG(18:0/22:0/18:2(9Z,12Z))",VBCHYGJCHLNVFC-VSQDVKCVSA-N
HMDB44816,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,26,32,38,41,58H,4-16,18-19,21-25,27-31,33-37,39-40,42-57H2,1-3H3/b20-17-,32-26-,41-38-/t58-/m1/s1",VXILKXGVHSBSGJ,VNYALLQPSA,N,"TG(18:0/22:0/18:3(6Z,9Z,12Z))",VXILKXGVHSBSGJ-VNYALLQPSA-N
HMDB44817,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,60H,4-16,18-19,21-25,27-28,30-59H2,1-3H3/b20-17-,29-26-/t60-/m0/s1",MIWJGWAISDNXBZ,ZTVVXRKDSA,N,TG(18:0/22:0/20:2n6),MIWJGWAISDNXBZ-ZTVVXRKDSA-N
HMDB44818,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,60H,4-16,18-19,21-25,27-28,30-34,36-37,39-59H2,1-3H3/b20-17-,29-26-,38-35-/t60-/m0/s1",JQOSLGXBJPERKJ,SVZCIJRBSA,N,TG(18:0/22:0/20:3n6),JQOSLGXBJPERKJ-SVZCIJRBSA-N
HMDB44819,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,44,47,60H,4-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,29-26-,38-35-,47-44-/t60-/m0/s1",TVQFPEHRCSMMRD,HGWIOKADSA,N,"TG(18:0/22:0/20:4(5Z,8Z,11Z,14Z))",TVQFPEHRCSMMRD-HGWIOKADSA-N
HMDB44820,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,62H,4-15,17-18,20-24,26-27,29-61H2,1-3H3/b19-16-,28-25-/t62-/m0/s1",KWGDKWYPTTYCLC,XQUHSXDMSA,N,"TG(18:0/22:0/22:2(13Z,16Z))",KWGDKWYPTTYCLC-XQUHSXDMSA-N
HMDB44821,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,40,43,62H,4-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,34-32-,43-40-/t62-/m0/s1",QZWYSNVRMCERDU,OGOLSHSISA,N,"TG(18:0/22:0/22:4(7Z,10Z,13Z,16Z))",QZWYSNVRMCERDU-OGOLSHSISA-N
HMDB44822,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,40,43,49,52,62H,4-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,34-32-,43-40-,52-49-/t62-/m0/s1",MMXGHAHCBCMLDS,QSFUYZKXSA,N,"TG(18:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",MMXGHAHCBCMLDS-QSFUYZKXSA-N
HMDB44823,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,32,58H,4-7,9-10,12-16,18-19,21-25,27-31,33-57H2,1-3H3/b11-8-,20-17-,32-26-/t58-/m1/s1",MFNWYZFORRXQHT,HGUYPXMVSA,N,"TG(18:0/22:0/18:3(9Z,12Z,15Z))",MFNWYZFORRXQHT-HGUYPXMVSA-N
HMDB44824,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,32,38,41,58H,4-7,9-10,12-16,18-19,21-25,27-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,32-26-,41-38-/t58-/m1/s1",KDCWAZIMGWULJP,RMFNYSRHSA,N,"TG(18:0/22:0/18:4(6Z,9Z,12Z,15Z))",KDCWAZIMGWULJP-RMFNYSRHSA-N
HMDB44825,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,60H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,29-26-,38-35-/t60-/m0/s1",OLGCAYHSBQAASU,DJOUEDBJSA,N,"TG(18:0/22:0/20:4(8Z,11Z,14Z,17Z))",OLGCAYHSBQAASU-DJOUEDBJSA-N
HMDB44826,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,44,47,60H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,47-44-/t60-/m0/s1",PFQZTTBUBNIVPK,ORUCCLEHSA,N,"TG(18:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",PFQZTTBUBNIVPK-ORUCCLEHSA-N
HMDB44827,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,40,43,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,43-40-/t62-/m0/s1",VEZIAFYVJHPNKJ,LIOZOJBHSA,N,"TG(18:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",VEZIAFYVJHPNKJ-LIOZOJBHSA-N
HMDB44828,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,43-40-,52-49-/t62-/m0/s1",PIFZVMPMZXRUKT,PSNQKNGVSA,N,"TG(18:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PIFZVMPMZXRUKT-PSNQKNGVSA-N
HMDB44829,932.913576964,C61H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h59H,4-58H2,1-3H3/t59-/m1/s1",QFYFZOUJDRJENK,OBEXFZABSA,N,TG(18:0/22:0/o-18:0),QFYFZOUJDRJENK-OBEXFZABSA-N
HMDB44830,974.924141636,C63H122O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h60H,4-59H2,1-3H3",JCYUOHNKURBSTA,UHFFFAOYSA,N,TG(18:0/24:0/18:0),JCYUOHNKURBSTA-UHFFFAOYSA-N
HMDB44831,1002.955441777,C65H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3/t62-/m0/s1",MKEGZPSKUSYOIM,PNVGIOEQSA,N,TG(18:0/24:0/20:0),MKEGZPSKUSYOIM-PNVGIOEQSA-N
HMDB44832,1030.986741906,C67H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3/t64-/m0/s1",XFBUVLYMXBVMEN,JVUALNACSA,N,TG(18:0/24:0/22:0),XFBUVLYMXBVMEN-JVUALNACSA-N
HMDB44833,1059.018042035,C69H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3/t66-/m0/s1",HOLGSWZWQBDWOI,FGKSCKJQSA,N,TG(18:0/24:0/24:0),HOLGSWZWQBDWOI-FGKSCKJQSA-N
HMDB44834,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,56H,4-14,16-17,19-55H2,1-3H3/b18-15-/t56-/m1/s1",UUZMFQOOGKVJDO,AAABZKSKSA,N,TG(18:0/24:0/14:1(9Z)),UUZMFQOOGKVJDO-AAABZKSKSA-N
HMDB44835,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-/t58-/m1/s1",PHKRMNKEIZATED,ZKVGIWGASA,N,TG(18:0/24:0/16:1(9Z)),PHKRMNKEIZATED-ZKVGIWGASA-N
HMDB44836,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h20,23,60H,4-19,21-22,24-59H2,1-3H3/b23-20-/t60-/m1/s1",RUXLBRZLBVLBFV,SVFUARKBSA,N,TG(18:0/24:0/18:1(11Z)),RUXLBRZLBVLBFV-SVFUARKBSA-N
HMDB44837,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h26,34,60H,4-25,27-33,35-59H2,1-3H3/b34-26-/t60-/m1/s1",CRRULBZKNVQXFP,LTLOUOCESA,N,TG(18:0/24:0/18:1(9Z)),CRRULBZKNVQXFP-LTLOUOCESA-N
HMDB44838,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h26,29,62H,4-25,27-28,30-61H2,1-3H3/b29-26-/t62-/m0/s1",OBCREVUSXBYHIZ,BNJYWYPOSA,N,TG(18:0/24:0/20:1(11Z)),OBCREVUSXBYHIZ-BNJYWYPOSA-N
HMDB44839,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h26,29,37,40,46,49,62H,4-25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b29-26-,40-37-,49-46-/t62-/m0/s1",HZBWDIBTUWFOFQ,QMEXHXJUSA,N,"TG(18:0/24:0/20:3(5Z,8Z,11Z))",HZBWDIBTUWFOFQ-QMEXHXJUSA-N
HMDB44840,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,64H,4-25,27-28,30-63H2,1-3H3/b29-26-/t64-/m0/s1",OOUMMQUSJVNFSB,ARILNZPQSA,N,TG(18:0/24:0/22:1(13Z)),OOUMMQUSJVNFSB-ARILNZPQSA-N
HMDB44841,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,28,66H,4-24,26-27,29-65H2,1-3H3/b28-25-/t66-/m0/s1",XAKYNFJXXPFEOI,UMXKIVGISA,N,TG(18:0/24:0/24:1(15Z)),XAKYNFJXXPFEOI-UMXKIVGISA-N
HMDB44842,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20,26,34,60H,4-16,18-19,21-25,27-33,35-59H2,1-3H3/b20-17-,34-26-/t60-/m1/s1",WVBWJULBZBNZMZ,WFYVVMRGSA,N,"TG(18:0/24:0/18:2(9Z,12Z))",WVBWJULBZBNZMZ-WFYVVMRGSA-N
HMDB44843,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20,26,34,40,43,60H,4-16,18-19,21-25,27-33,35-39,41-42,44-59H2,1-3H3/b20-17-,34-26-,43-40-/t60-/m1/s1",KOGFJPQTJBKODN,LRSIYDEUSA,N,"TG(18:0/24:0/18:3(6Z,9Z,12Z))",KOGFJPQTJBKODN-LRSIYDEUSA-N
HMDB44844,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,62H,4-16,18-19,21-25,27-28,30-61H2,1-3H3/b20-17-,29-26-/t62-/m0/s1",MXACPJUWNMBGHD,HYWLJCHLSA,N,TG(18:0/24:0/20:2n6),MXACPJUWNMBGHD-HYWLJCHLSA-N
HMDB44845,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,62H,4-16,18-19,21-25,27-28,30-36,38-39,41-61H2,1-3H3/b20-17-,29-26-,40-37-/t62-/m0/s1",FIQUYYCHWONIKU,WSGYWLKHSA,N,TG(18:0/24:0/20:3n6),FIQUYYCHWONIKU-WSGYWLKHSA-N
HMDB44846,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,46,49,62H,4-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,29-26-,40-37-,49-46-/t62-/m0/s1",VYKKZVDEDNPOAH,LHXBIZEDSA,N,"TG(18:0/24:0/20:4(5Z,8Z,11Z,14Z))",VYKKZVDEDNPOAH-LHXBIZEDSA-N
HMDB44847,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,64H,4-16,18-19,21-25,27-28,30-63H2,1-3H3/b20-17-,29-26-/t64-/m0/s1",ZKOCMQHOKBZYIX,DFNVNBPLSA,N,"TG(18:0/24:0/22:2(13Z,16Z))",ZKOCMQHOKBZYIX-DFNVNBPLSA-N
HMDB44848,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,42,45,64H,4-16,18-19,21-25,27-28,30-33,35,37-41,43-44,46-63H2,1-3H3/b20-17-,29-26-,36-34-,45-42-/t64-/m0/s1",NULHWYATRGDVME,BNWAYPLZSA,N,"TG(18:0/24:0/22:4(7Z,10Z,13Z,16Z))",NULHWYATRGDVME-BNWAYPLZSA-N
HMDB44849,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,42,45,51,54,64H,4-16,18-19,21-25,27-28,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,29-26-,36-34-,45-42-,54-51-/t64-/m0/s1",PUVYXUNFVJMMGW,BVWGTALQSA,N,"TG(18:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",PUVYXUNFVJMMGW-BVWGTALQSA-N
HMDB44850,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,34,60H,4-7,9-10,12-16,18-19,21-25,27-33,35-59H2,1-3H3/b11-8-,20-17-,34-26-/t60-/m1/s1",BJGXENBEKNJTIW,UDMQSNSMSA,N,"TG(18:0/24:0/18:3(9Z,12Z,15Z))",BJGXENBEKNJTIW-UDMQSNSMSA-N
HMDB44851,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,34,40,43,60H,4-7,9-10,12-16,18-19,21-25,27-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,34-26-,43-40-/t60-/m1/s1",VGHLSLRDNJIASC,BVKAFERTSA,N,"TG(18:0/24:0/18:4(6Z,9Z,12Z,15Z))",VGHLSLRDNJIASC-BVKAFERTSA-N
HMDB44852,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-61H2,1-3H3/b11-8-,20-17-,29-26-,40-37-/t62-/m0/s1",AELQOPBHBYDAHV,LRRWVSTESA,N,"TG(18:0/24:0/20:4(8Z,11Z,14Z,17Z))",AELQOPBHBYDAHV-LRRWVSTESA-N
HMDB44853,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,46,49,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,29-26-,40-37-,49-46-/t62-/m0/s1",JHJQTHMOZNTDSD,RIDGAXGWSA,N,"TG(18:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",JHJQTHMOZNTDSD-RIDGAXGWSA-N
HMDB44854,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,42,45,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,45-42-/t64-/m0/s1",SJJWYQKMMOTWQL,OXOKYTQPSA,N,"TG(18:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",SJJWYQKMMOTWQL-OXOKYTQPSA-N
HMDB44855,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,42,45,51,54,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,45-42-,54-51-/t64-/m0/s1",OLWGVCJQBFJEBI,KAYCXAERSA,N,"TG(18:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OLWGVCJQBFJEBI-KAYCXAERSA-N
HMDB44856,960.944877093,C63H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h61H,4-60H2,1-3H3/t61-/m1/s1",FRAIFIHPDWQCHS,QRXDBQBNSA,N,TG(18:0/24:0/o-18:0),FRAIFIHPDWQCHS-QRXDBQBNSA-N
HMDB44857,832.751990932,C53H100O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-",JNZRHVZKRCUEHI,SDXDJHTJSA,N,TG(18:0/14:1(9Z)/18:0),JNZRHVZKRCUEHI-SDXDJHTJSA-N
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HMDB44859,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-/t54-/m0/s1",CLQGNDGHULBBGK,JGXNLIRDSA,N,TG(18:0/14:1(9Z)/22:0),CLQGNDGHULBBGK-JGXNLIRDSA-N
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HMDB44872,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,52H,4-14,17,20-23,25,27-28,30,32-51H2,1-3H3/b18-15-,19-16-,26-24-,31-29-/t52-/m0/s1",SUMBJTJCVFSHOY,HLIBIOEPSA,N,TG(18:0/14:1(9Z)/20:3n6),SUMBJTJCVFSHOY-HLIBIOEPSA-N
HMDB44873,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,36,39,52H,4-14,17,20-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,39-36-/t52-/m0/s1",QXJSFSDQSFDVAT,UYLMMYTRSA,N,"TG(18:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",QXJSFSDQSFDVAT-UYLMMYTRSA-N
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HMDB44879,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,52H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-/t52-/m0/s1",GEPOGMMCAWOWOH,OBWKOLQCSA,N,"TG(18:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",GEPOGMMCAWOWOH-OBWKOLQCSA-N
HMDB44880,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,36,39,52H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,39-36-/t52-/m0/s1",AGVYIVWJHLYNFC,ALLDJCSHSA,N,"TG(18:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",AGVYIVWJHLYNFC-ALLDJCSHSA-N
HMDB44881,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,33,36,54H,4-6,8-9,11-14,17,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,36-33-/t54-/m0/s1",VWCXEGFNLAIIJE,VCKHGWFKSA,N,"TG(18:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VWCXEGFNLAIIJE-VCKHGWFKSA-N
HMDB44882,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,33,36,41,44,54H,4-6,8-9,11-14,17,20-23,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,36-33-,44-41-/t54-/m0/s1",BHLGGWPWYOGWAG,WNTQXITHSA,N,"TG(18:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BHLGGWPWYOGWAG-WNTQXITHSA-N
HMDB44883,818.772726384,C53H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-/t51-/m1/s1",ATWNPYZPNYLEJD,WAEMFQRBSA,N,TG(18:0/14:1(9Z)/o-18:0),ATWNPYZPNYLEJD-WAEMFQRBSA-N
HMDB44884,860.78329106,C55H104O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,52H,4-20,22-23,25-51H2,1-3H3/b24-21-",ADPZHBDNLYYDFB,FLFQWRMESA,N,TG(18:0/16:1(9Z)/18:0),ADPZHBDNLYYDFB-FLFQWRMESA-N
HMDB44885,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,54H,4-20,22-23,25-53H2,1-3H3/b24-21-/t54-/m0/s1",SCRUPIUQFHRDIJ,XVDGJACESA,N,TG(18:0/16:1(9Z)/20:0),SCRUPIUQFHRDIJ-XVDGJACESA-N
HMDB44886,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-/t56-/m0/s1",UTNNVFMIFYLBOY,HDIOEILJSA,N,TG(18:0/16:1(9Z)/22:0),UTNNVFMIFYLBOY-HDIOEILJSA-N
HMDB44887,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-/t58-/m0/s1",TVCVAPQSBRPZBP,VIQUSSKHSA,N,TG(18:0/16:1(9Z)/24:0),TVCVAPQSBRPZBP-VIQUSSKHSA-N
HMDB44888,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18,20,23,48H,4-14,16-17,19,21-22,24-47H2,1-3H3/b18-15-,23-20-/t48-/m1/s1",NTJGBLKOLWZBGK,XNBLBITASA,N,TG(18:0/16:1(9Z)/14:1(9Z)),NTJGBLKOLWZBGK-XNBLBITASA-N
HMDB44889,830.736340868,C53H98O6,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20-21,23-24,50H,4-19,22,25-49H2,1-3H3/b23-20-,24-21-/t50-/m1/s1",QEZWFCZNHWUARW,XQCAQTCHSA,N,TG(18:0/16:1(9Z)/16:1(9Z)),QEZWFCZNHWUARW-XQCAQTCHSA-N
HMDB44890,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,52H,4-18,20,23,25-51H2,1-3H3/b22-19-,24-21-/t52-/m1/s1",WRWNAQFCGCKBFU,BHSMRSOWSA,N,TG(18:0/16:1(9Z)/18:1(11Z)),WRWNAQFCGCKBFU-BHSMRSOWSA-N
HMDB44891,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,52H,4-20,22-23,26,28-51H2,1-3H3/b24-21-,27-25-/t52-/m1/s1",JHISGXUBPFPZEO,JWVPJFKJSA,N,TG(18:0/16:1(9Z)/18:1(9Z)),JHISGXUBPFPZEO-JWVPJFKJSA-N
HMDB44892,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,54H,4-20,22-23,26,28-53H2,1-3H3/b24-21-,27-25-/t54-/m0/s1",WGYGHTYONRAZEP,QUNGEIKTSA,N,TG(18:0/16:1(9Z)/20:1(11Z)),WGYGHTYONRAZEP-QUNGEIKTSA-N
HMDB44893,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,38,41,54H,4-20,22-23,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b24-21-,27-25-,33-30-,41-38-/t54-/m0/s1",CVHMEZFGALFXMT,LALVRRJTSA,N,"TG(18:0/16:1(9Z)/20:3(5Z,8Z,11Z))",CVHMEZFGALFXMT-LALVRRJTSA-N
HMDB44894,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-/t56-/m0/s1",SWUDGTDLMRDUKM,VFBDGFDBSA,N,TG(18:0/16:1(9Z)/22:1(13Z)),SWUDGTDLMRDUKM-VFBDGFDBSA-N
HMDB44895,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h21,24-25,27,58H,4-20,22-23,26,28-57H2,1-3H3/b24-21-,27-25-/t58-/m0/s1",AKJAVHDSGYNHSB,RHKJSXQCSA,N,TG(18:0/16:1(9Z)/24:1(15Z)),AKJAVHDSGYNHSB-RHKJSXQCSA-N
HMDB44896,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,52H,4-15,17-18,20,22-23,26,28-51H2,1-3H3/b19-16-,24-21-,27-25-/t52-/m1/s1",YBYJHYPJVAOSBP,CYRKDGISSA,N,"TG(18:0/16:1(9Z)/18:2(9Z,12Z))",YBYJHYPJVAOSBP-CYRKDGISSA-N
HMDB44897,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,32,35,52H,4-15,17-18,20,22-23,26,28-31,33-34,36-51H2,1-3H3/b19-16-,24-21-,27-25-,35-32-/t52-/m1/s1",WXNVLDKSYPZHCN,DOAQSNIHSA,N,"TG(18:0/16:1(9Z)/18:3(6Z,9Z,12Z))",WXNVLDKSYPZHCN-DOAQSNIHSA-N
HMDB44898,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,54H,4-15,17-18,20,22-23,26,28-53H2,1-3H3/b19-16-,24-21-,27-25-/t54-/m0/s1",IDMJDWJMYCKJQJ,XXQKTQNQSA,N,TG(18:0/16:1(9Z)/20:2n6),IDMJDWJMYCKJQJ-XXQKTQNQSA-N
HMDB44899,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,54H,4-15,17-18,20,22-23,26,28-29,31-32,34-53H2,1-3H3/b19-16-,24-21-,27-25-,33-30-/t54-/m0/s1",UTAXARKBUGEENK,BXRAGAEDSA,N,TG(18:0/16:1(9Z)/20:3n6),UTAXARKBUGEENK-BXRAGAEDSA-N
HMDB44900,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,38,41,54H,4-15,17-18,20,22-23,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,24-21-,27-25-,33-30-,41-38-/t54-/m0/s1",ZXPZKPTYTWDDTR,UKVSDVJNSA,N,"TG(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",ZXPZKPTYTWDDTR-UKVSDVJNSA-N
HMDB44901,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,56H,4-15,17-18,20,22-23,26,28-55H2,1-3H3/b19-16-,24-21-,27-25-/t56-/m0/s1",RJOWKKLFUOVGLX,RAFYEYBJSA,N,"TG(18:0/16:1(9Z)/22:2(13Z,16Z))",RJOWKKLFUOVGLX-RAFYEYBJSA-N
HMDB44902,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,35,37,56H,4-15,17-18,20,22-23,26,28,31-34,36,38-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,37-35-/t56-/m0/s1",WVKPGYPXOPTODM,UCEAYBCFSA,N,"TG(18:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",WVKPGYPXOPTODM-UCEAYBCFSA-N
HMDB44903,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,35,37,43,46,56H,4-15,17-18,20,22-23,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,37-35-,46-43-/t56-/m0/s1",RCZLPTYARSDZJA,HBSRKXJUSA,N,"TG(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RCZLPTYARSDZJA-HBSRKXJUSA-N
HMDB44904,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,52H,4-6,8-9,11-15,17-18,20,22-23,26,28-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-/t52-/m1/s1",SURFNTYBPMXUDN,QIWFWJCZSA,N,"TG(18:0/16:1(9Z)/18:3(9Z,12Z,15Z))",SURFNTYBPMXUDN-QIWFWJCZSA-N
HMDB44905,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,32,35,52H,4-6,8-9,11-15,17-18,20,22-23,26,28-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,35-32-/t52-/m1/s1",RQYFNWIONOQUSC,OKADOCKFSA,N,"TG(18:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",RQYFNWIONOQUSC-OKADOCKFSA-N
HMDB44906,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,54H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-/t54-/m0/s1",LHXURPBLCDMSQT,GQQFAOFJSA,N,"TG(18:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",LHXURPBLCDMSQT-GQQFAOFJSA-N
HMDB44907,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,38,41,54H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-,41-38-/t54-/m0/s1",RJDYCWPWEKTDPI,IWABDIEISA,N,"TG(18:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RJDYCWPWEKTDPI-IWABDIEISA-N
HMDB44908,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,35,37,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-34,36,38-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,37-35-/t56-/m0/s1",ZJOZQOFWZZUJJS,CPQWALFJSA,N,"TG(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZJOZQOFWZZUJJS-CPQWALFJSA-N
HMDB44909,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,35,37,43,46,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,37-35-,46-43-/t56-/m0/s1",JDNHSPUBIUFKMN,IKNCLODASA,N,"TG(18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JDNHSPUBIUFKMN-IKNCLODASA-N
HMDB44910,846.804026513,C55H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,53H,4-20,22-23,25-52H2,1-3H3/b24-21-/t53-/m1/s1",DVAYOCWUXOASES,JDMPLWDLSA,N,TG(18:0/16:1(9Z)/o-18:0),DVAYOCWUXOASES-JDMPLWDLSA-N
HMDB44911,888.814591188,C57H108O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,54H,4-20,22-23,25-53H2,1-3H3/b24-21-",WVIOMIGIVJHZTN,FLFQWRMESA,N,TG(18:0/18:1(11Z)/18:0),WVIOMIGIVJHZTN-FLFQWRMESA-N
HMDB44912,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-/t56-/m0/s1",LXPJIWPRELJYCD,HDIOEILJSA,N,TG(18:0/18:1(11Z)/20:0),LXPJIWPRELJYCD-HDIOEILJSA-N
HMDB44913,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-/t58-/m0/s1",HTEKPEUBHXJJTE,VIQUSSKHSA,N,TG(18:0/18:1(11Z)/22:0),HTEKPEUBHXJJTE-VIQUSSKHSA-N
HMDB44914,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-/t60-/m0/s1",OSVPTBUSNXGUED,VZKFWILHSA,N,TG(18:0/18:1(11Z)/24:0),OSVPTBUSNXGUED-VZKFWILHSA-N
HMDB44915,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,50H,4-14,16-17,19,21-22,24-49H2,1-3H3/b18-15-,23-20-/t50-/m1/s1",TXOZBTDBHFJBKU,KBPAKABXSA,N,TG(18:0/18:1(11Z)/14:1(9Z)),TXOZBTDBHFJBKU-KBPAKABXSA-N
HMDB44916,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,52H,4-19,22,25-51H2,1-3H3/b23-20-,24-21-/t52-/m1/s1",DIFAQBKIKDAUKF,RLVGKUCASA,N,TG(18:0/18:1(11Z)/16:1(9Z)),DIFAQBKIKDAUKF-RLVGKUCASA-N
HMDB44917,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,21-22,24,54H,4-18,20,23,25-53H2,1-3H3/b22-19-,24-21-/t54-/m1/s1",HWYGJLSOHLGKDX,QTDVBMGWSA,N,TG(18:0/18:1(11Z)/18:1(11Z)),HWYGJLSOHLGKDX-QTDVBMGWSA-N
HMDB44918,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,54H,4-20,22-23,26-27,29-53H2,1-3H3/b24-21-,28-25-/t54-/m1/s1",JUPVOFFQAXNXID,LJSWGFDNSA,N,TG(18:0/18:1(11Z)/18:1(9Z)),JUPVOFFQAXNXID-LJSWGFDNSA-N
HMDB44919,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24-25,28,56H,4-20,22-23,26-27,29-55H2,1-3H3/b24-21-,28-25-/t56-/m0/s1",DRXKVDMYIYMLIN,LEWBGJHJSA,N,TG(18:0/18:1(11Z)/20:1(11Z)),DRXKVDMYIYMLIN-LEWBGJHJSA-N
HMDB44920,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24-25,28,32,34,40,43,56H,4-20,22-23,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b24-21-,28-25-,34-32-,43-40-/t56-/m0/s1",MTOUKMACTIFLFQ,QMQIYGGKSA,N,"TG(18:0/18:1(11Z)/20:3(5Z,8Z,11Z))",MTOUKMACTIFLFQ-QMQIYGGKSA-N
HMDB44921,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h21,24-25,28,58H,4-20,22-23,26-27,29-57H2,1-3H3/b24-21-,28-25-/t58-/m0/s1",ZLQMLOOMSZNYRJ,XURCBCPLSA,N,TG(18:0/18:1(11Z)/22:1(13Z)),ZLQMLOOMSZNYRJ-XURCBCPLSA-N
HMDB44922,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h21,24-25,28,60H,4-20,22-23,26-27,29-59H2,1-3H3/b24-21-,28-25-/t60-/m0/s1",ALEWSTMZONDAQL,WCGXTGDWSA,N,TG(18:0/18:1(11Z)/24:1(15Z)),ALEWSTMZONDAQL-WCGXTGDWSA-N
HMDB44923,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,54H,4-15,17-18,20,22-23,26-27,29-53H2,1-3H3/b19-16-,24-21-,28-25-/t54-/m1/s1",TVLMJMFKNWRCGI,HIAAHSCQSA,N,"TG(18:0/18:1(11Z)/18:2(9Z,12Z))",TVLMJMFKNWRCGI-HIAAHSCQSA-N
HMDB44924,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,34,37,54H,4-15,17-18,20,22-23,26-27,29-33,35-36,38-53H2,1-3H3/b19-16-,24-21-,28-25-,37-34-/t54-/m1/s1",XZEHHPQAMMWALZ,IVXHMXKMSA,N,"TG(18:0/18:1(11Z)/18:3(6Z,9Z,12Z))",XZEHHPQAMMWALZ-IVXHMXKMSA-N
HMDB44925,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,56H,4-15,17-18,20,22-23,26-27,29-55H2,1-3H3/b19-16-,24-21-,28-25-/t56-/m0/s1",RTBGCGBRAWHDBD,UFLBRZSESA,N,TG(18:0/18:1(11Z)/20:2n6),RTBGCGBRAWHDBD-UFLBRZSESA-N
HMDB44926,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,56H,4-15,17-18,20,22-23,26-27,29-31,33,35-55H2,1-3H3/b19-16-,24-21-,28-25-,34-32-/t56-/m0/s1",CINQAJQDUBMGEZ,VHYVQRFQSA,N,TG(18:0/18:1(11Z)/20:3n6),CINQAJQDUBMGEZ-VHYVQRFQSA-N
HMDB44927,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,40,43,56H,4-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,43-40-/t56-/m0/s1",YGKXJDDGNQKJPT,COCAYHFYSA,N,"TG(18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",YGKXJDDGNQKJPT-COCAYHFYSA-N
HMDB44928,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,58H,4-15,17-18,20,22-23,26-27,29-57H2,1-3H3/b19-16-,24-21-,28-25-/t58-/m0/s1",OZLAHDGOWLSOAJ,OEMAFOEQSA,N,"TG(18:0/18:1(11Z)/22:2(13Z,16Z))",OZLAHDGOWLSOAJ-OEMAFOEQSA-N
HMDB44929,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30-31,36,39,58H,4-15,17-18,20,22-23,26-27,29,32-35,37-38,40-57H2,1-3H3/b19-16-,24-21-,28-25-,31-30-,39-36-/t58-/m0/s1",QHRHDZWVUNTBMM,NIJFRIAJSA,N,"TG(18:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",QHRHDZWVUNTBMM-NIJFRIAJSA-N
HMDB44930,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30-31,36,39,45,48,58H,4-15,17-18,20,22-23,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,28-25-,31-30-,39-36-,48-45-/t58-/m0/s1",HMJFVDJUOSLAQR,LARQOAJPSA,N,"TG(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HMJFVDJUOSLAQR-LARQOAJPSA-N
HMDB44931,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,54H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-53H2,1-3H3/b10-7-,19-16-,24-21-,28-25-/t54-/m1/s1",QWODFTFSLHKZKF,OKWLNNLGSA,N,"TG(18:0/18:1(11Z)/18:3(9Z,12Z,15Z))",QWODFTFSLHKZKF-OKWLNNLGSA-N
HMDB44932,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,34,37,54H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,37-34-/t54-/m1/s1",AHASBULBODWAPU,CUIPNJCHSA,N,"TG(18:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",AHASBULBODWAPU-CUIPNJCHSA-N
HMDB44933,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,56H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-/t56-/m0/s1",XHTOFAZQROKFBQ,APIZQUHISA,N,"TG(18:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",XHTOFAZQROKFBQ-APIZQUHISA-N
HMDB44934,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,40,43,56H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,43-40-/t56-/m0/s1",VSLOFFKHJIXKJO,NHRHWWDJSA,N,"TG(18:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VSLOFFKHJIXKJO-NHRHWWDJSA-N
HMDB44935,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30-31,36,39,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,32-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,31-30-,39-36-/t58-/m0/s1",KSVKMWRSSYNZCW,FRQSMODASA,N,"TG(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KSVKMWRSSYNZCW-FRQSMODASA-N
HMDB44936,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30-31,36,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,31-30-,39-36-,48-45-/t58-/m0/s1",YDPMCTJRBOYHEK,ZNAQEUGISA,N,"TG(18:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YDPMCTJRBOYHEK-ZNAQEUGISA-N
HMDB44937,874.835326642,C57H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,55H,4-20,22-23,25-54H2,1-3H3/b24-21-/t55-/m1/s1",NTZYNUIJRPZFCR,AYMZKUIOSA,N,TG(18:0/18:1(11Z)/o-18:0),NTZYNUIJRPZFCR-AYMZKUIOSA-N
HMDB44938,888.814591188,C57H108O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,54H,4-26,28-29,31-53H2,1-3H3/b30-27-",RBLADLVPSYELCA,IKPAITLHSA,N,TG(18:0/18:1(9Z)/18:0),RBLADLVPSYELCA-IKPAITLHSA-N
HMDB44940,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h27,33,58H,4-26,28-32,34-57H2,1-3H3/b33-27-/t58-/m0/s1",HFCKOGWQFCDRLW,SVGSKHMUSA,N,TG(18:0/18:1(9Z)/22:0),HFCKOGWQFCDRLW-SVGSKHMUSA-N
HMDB44941,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h27,35,60H,4-26,28-34,36-59H2,1-3H3/b35-27-/t60-/m0/s1",JCJXSYIZXLFKNX,IUALHSBXSA,N,TG(18:0/18:1(9Z)/24:0),JCJXSYIZXLFKNX-IUALHSBXSA-N
HMDB44942,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,50H,4-14,16-17,19-24,26,28-49H2,1-3H3/b18-15-,27-25-/t50-/m1/s1",MYFVYSMHJUPUGJ,QWKSWIJMSA,N,TG(18:0/18:1(9Z)/14:1(9Z)),MYFVYSMHJUPUGJ-QWKSWIJMSA-N
HMDB44943,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,52H,4-20,22-23,25,27,29-51H2,1-3H3/b24-21-,28-26-/t52-/m1/s1",UKQCGKYEJGBSQO,IEWSGNCLSA,N,TG(18:0/18:1(9Z)/16:1(9Z)),UKQCGKYEJGBSQO-IEWSGNCLSA-N
HMDB44944,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,27,30,54H,4-18,20-21,23-26,28-29,31-53H2,1-3H3/b22-19-,30-27-/t54-/m1/s1",QSSFEHLDOLWIDL,KCZKQTRESA,N,TG(18:0/18:1(9Z)/18:1(11Z)),QSSFEHLDOLWIDL-KCZKQTRESA-N
HMDB44947,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25,27-28,31-32,34,40,43,56H,4-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",JWGLUSBHWGFXQE,LWOHLKJHSA,N,"TG(18:0/18:1(9Z)/20:3(5Z,8Z,11Z))",JWGLUSBHWGFXQE-LWOHLKJHSA-N
HMDB44948,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h25,27-28,33,58H,4-24,26,29-32,34-57H2,1-3H3/b28-25-,33-27-/t58-/m0/s1",RQLZZCKGBZFETM,OUNLHQQGSA,N,TG(18:0/18:1(9Z)/22:1(13Z)),RQLZZCKGBZFETM-OUNLHQQGSA-N
HMDB44949,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h25,27-28,35,60H,4-24,26,29-34,36-59H2,1-3H3/b28-25-,35-27-/t60-/m0/s1",AFCLJNCTQYJPGS,NAFTZFJHSA,N,TG(18:0/18:1(9Z)/24:1(15Z)),AFCLJNCTQYJPGS-NAFTZFJHSA-N
HMDB44951,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,37,54H,4-15,17-18,20-24,26,29,31-33,35-36,38-53H2,1-3H3/b19-16-,28-25-,30-27-,37-34-/t54-/m1/s1",JOJVDNJANFYSHZ,BEWFDITGSA,N,"TG(18:0/18:1(9Z)/18:3(6Z,9Z,12Z))",JOJVDNJANFYSHZ-BEWFDITGSA-N
HMDB44952,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,56H,4-15,17-18,20-24,26,29-30,32-55H2,1-3H3/b19-16-,28-25-,31-27-/t56-/m0/s1",NQERQBKNMYXTAP,RIWVXYCDSA,N,TG(18:0/18:1(9Z)/20:2n6),NQERQBKNMYXTAP-RIWVXYCDSA-N
HMDB44953,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31-32,34,56H,4-15,17-18,20-24,26,29-30,33,35-55H2,1-3H3/b19-16-,28-25-,31-27-,34-32-/t56-/m0/s1",TWEBSLGMJOLGKP,CCRLMMEPSA,N,TG(18:0/18:1(9Z)/20:3n6),TWEBSLGMJOLGKP-CCRLMMEPSA-N
HMDB44955,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,33,58H,4-15,17-18,20-24,26,29-32,34-57H2,1-3H3/b19-16-,28-25-,33-27-/t58-/m0/s1",QHPYYZFXEDYENT,UYUVCTIRSA,N,"TG(18:0/18:1(9Z)/22:2(13Z,16Z))",QHPYYZFXEDYENT-UYUVCTIRSA-N
HMDB44956,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30-31,33,36,39,58H,4-15,17-18,20-24,26,29,32,34-35,37-38,40-57H2,1-3H3/b19-16-,28-25-,31-30-,33-27-,39-36-/t58-/m0/s1",SBAUKUWCFRJHHI,LENYFGQOSA,N,"TG(18:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",SBAUKUWCFRJHHI-LENYFGQOSA-N
HMDB44957,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30-31,33,36,39,45,48,58H,4-15,17-18,20-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1",DBUKVOAEEIKZTN,GMRQBDBBSA,N,"TG(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DBUKVOAEEIKZTN-GMRQBDBBSA-N
HMDB44958,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,54H,4-6,8-9,11-15,17-18,20-24,26,29,31-53H2,1-3H3/b10-7-,19-16-,28-25-,30-27-/t54-/m1/s1",BRLGHZXETDWABO,FCTLATDHSA,N,"TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z))",BRLGHZXETDWABO-FCTLATDHSA-N
HMDB44959,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,37,54H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-/t54-/m1/s1",IXDYCTWELIBSSO,OULNBDFMSA,N,"TG(18:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",IXDYCTWELIBSSO-OULNBDFMSA-N
HMDB44960,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31-32,34,56H,4-6,8-9,11-15,17-18,20-24,26,29-30,33,35-55H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,34-32-/t56-/m0/s1",NMOSKFDAUMPINK,HMUFBMJPSA,N,"TG(18:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",NMOSKFDAUMPINK-HMUFBMJPSA-N
HMDB44961,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31-32,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",BLNSKVFNUJRUQY,NUJVEXSKSA,N,"TG(18:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BLNSKVFNUJRUQY-NUJVEXSKSA-N
HMDB44962,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30-31,33,36,39,58H,4-6,8-9,11-15,17-18,20-24,26,29,32,34-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,33-27-,39-36-/t58-/m0/s1",JAESNECUPYJIJZ,BJKHAYESSA,N,"TG(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JAESNECUPYJIJZ-BJKHAYESSA-N
HMDB44963,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30-31,33,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1",GPPIWOJDFFGJMA,YUYHSTSVSA,N,"TG(18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GPPIWOJDFFGJMA-YUYHSTSVSA-N
HMDB44964,874.835326642,C57H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,55H,4-26,28-29,31-54H2,1-3H3/b30-27-/t55-/m1/s1",QGKVIRKDCRKDQI,GTJVTHKGSA,N,TG(18:0/18:1(9Z)/o-18:0),QGKVIRKDCRKDQI-GTJVTHKGSA-N
HMDB44965,916.845891316,C59H112O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,56H,4-24,26-27,29-55H2,1-3H3/b28-25-",OCUVIQQPCBIFRP,FVDSYPCUSA,N,TG(18:0/20:1(11Z)/18:0),OCUVIQQPCBIFRP-FVDSYPCUSA-N
HMDB44966,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,58H,4-25,27-28,30-57H2,1-3H3/b29-26-/t58-/m0/s1",FKXSKSCBIGJAGR,HMLVIHGYSA,N,TG(18:0/20:1(11Z)/20:0),FKXSKSCBIGJAGR-HMLVIHGYSA-N
HMDB44967,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26,29,60H,4-25,27-28,30-59H2,1-3H3/b29-26-/t60-/m0/s1",XXNKCKKMSRHNDQ,WNYHZXHYSA,N,TG(18:0/20:1(11Z)/22:0),XXNKCKKMSRHNDQ-WNYHZXHYSA-N
HMDB44968,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h26,29,62H,4-25,27-28,30-61H2,1-3H3/b29-26-/t62-/m0/s1",VAATXZBOGSFLJY,BNJYWYPOSA,N,TG(18:0/20:1(11Z)/24:0),VAATXZBOGSFLJY-BNJYWYPOSA-N
HMDB44969,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,52H,4-14,16-17,19-23,25,27-51H2,1-3H3/b18-15-,26-24-/t52-/m1/s1",VMXINGXSFLGWRS,CSOMECLSSA,N,TG(18:0/20:1(11Z)/14:1(9Z)),VMXINGXSFLGWRS-CSOMECLSSA-N
HMDB44970,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,54H,4-20,22-23,26,28-53H2,1-3H3/b24-21-,27-25-/t54-/m1/s1",ONMPBWYFMNYQTJ,MOJLPSOPSA,N,TG(18:0/20:1(11Z)/16:1(9Z)),ONMPBWYFMNYQTJ-MOJLPSOPSA-N
HMDB44971,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,28,56H,4-19,21-22,24,26-27,29-55H2,1-3H3/b23-20-,28-25-/t56-/m1/s1",GTGOXBMVMINSSB,BJXYBHFZSA,N,TG(18:0/20:1(11Z)/18:1(11Z)),GTGOXBMVMINSSB-BJXYBHFZSA-N
HMDB44972,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25-26,28,30,56H,4-24,27,29,31-55H2,1-3H3/b28-25-,30-26-/t56-/m1/s1",NQKRWZVYDJMTOX,MLZSESCUSA,N,TG(18:0/20:1(11Z)/18:1(9Z)),NQKRWZVYDJMTOX-MLZSESCUSA-N
HMDB44974,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33,36,42,45,58H,4-24,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b28-25-,29-26-,36-33-,45-42-/t58-/m0/s1",NUAAGXVXOLBDRH,TXPZPBLZSA,N,"TG(18:0/20:1(11Z)/20:3(5Z,8Z,11Z))",NUAAGXVXOLBDRH-TXPZPBLZSA-N
HMDB44975,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,60H,4-24,27,30-59H2,1-3H3/b28-25-,29-26-/t60-/m0/s1",OYNGPKGJSNVQOS,HQBPBTHXSA,N,TG(18:0/20:1(11Z)/22:1(13Z)),OYNGPKGJSNVQOS-HQBPBTHXSA-N
HMDB44976,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-/t62-/m0/s1",ZQTWXRZAFIMJBM,KUPCSHKGSA,N,TG(18:0/20:1(11Z)/24:1(15Z)),ZQTWXRZAFIMJBM-KUPCSHKGSA-N
HMDB44977,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-26,28,30,56H,4-16,18-19,21-24,27,29,31-55H2,1-3H3/b20-17-,28-25-,30-26-/t56-/m1/s1",QJRMAUGZWXXFNC,DMDKDVSCSA,N,"TG(18:0/20:1(11Z)/18:2(9Z,12Z))",QJRMAUGZWXXFNC-DMDKDVSCSA-N
HMDB44978,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-26,28,30,36,39,56H,4-16,18-19,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b20-17-,28-25-,30-26-,39-36-/t56-/m1/s1",YZEMRQNXPDZWEE,IXQRBKTASA,N,"TG(18:0/20:1(11Z)/18:3(6Z,9Z,12Z))",YZEMRQNXPDZWEE-IXQRBKTASA-N
HMDB44979,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,58H,4-15,17-18,20-24,27,30-57H2,1-3H3/b19-16-,28-25-,29-26-/t58-/m0/s1",IOFQLHPECKLVSM,FLMLNZEISA,N,TG(18:0/20:1(11Z)/20:2n6),IOFQLHPECKLVSM-FLMLNZEISA-N
HMDB44980,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,58H,4-15,17-18,20-24,27,30-32,34-35,37-57H2,1-3H3/b19-16-,28-25-,29-26-,36-33-/t58-/m0/s1",NCJLYHVTMRUDRY,NQDOFZADSA,N,TG(18:0/20:1(11Z)/20:3n6),NCJLYHVTMRUDRY-NQDOFZADSA-N
HMDB44982,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,60H,4-15,17-18,20-24,27,30-59H2,1-3H3/b19-16-,28-25-,29-26-/t60-/m0/s1",NSFHGSMSKWUULJ,VOZBUZFHSA,N,"TG(18:0/20:1(11Z)/22:2(13Z,16Z))",NSFHGSMSKWUULJ-VOZBUZFHSA-N
HMDB44983,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,38,41,60H,4-15,17-18,20-24,27,30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",IEMDRUBCZRDUKX,DOEHVUJYSA,N,"TG(18:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",IEMDRUBCZRDUKX-DOEHVUJYSA-N
HMDB44984,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,38,41,47,50,60H,4-15,17-18,20-24,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,41-38-,50-47-/t60-/m0/s1",DWIFUTKZBKIVIO,PVSLLAIASA,N,"TG(18:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DWIFUTKZBKIVIO-PVSLLAIASA-N
HMDB44985,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,30,56H,4-7,9-10,12-16,18-19,21-24,27,29,31-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-/t56-/m1/s1",GKNQZYUOLCAZQE,GPIZUEHYSA,N,"TG(18:0/20:1(11Z)/18:3(9Z,12Z,15Z))",GKNQZYUOLCAZQE-GPIZUEHYSA-N
HMDB44986,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,30,36,39,56H,4-7,9-10,12-16,18-19,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,39-36-/t56-/m1/s1",GMOJSRGSRYKLIV,BPYWMONZSA,N,"TG(18:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",GMOJSRGSRYKLIV-BPYWMONZSA-N
HMDB44987,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-/t58-/m0/s1",JMLMZOQTAWJVAS,VLBVKNABSA,N,"TG(18:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",JMLMZOQTAWJVAS-VLBVKNABSA-N
HMDB44988,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,42,45,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,45-42-/t58-/m0/s1",DGLPEYKGZUMRHZ,UURTYLBSSA,N,"TG(18:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",DGLPEYKGZUMRHZ-UURTYLBSSA-N
HMDB44989,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,38,41,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",RPRUIZWBGFJFML,XUFMVWCYSA,N,"TG(18:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RPRUIZWBGFJFML-XUFMVWCYSA-N
HMDB44990,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,41-38-,50-47-/t60-/m0/s1",ABQYCNKKYWOUKB,BTSZGIHPSA,N,"TG(18:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ABQYCNKKYWOUKB-BTSZGIHPSA-N
HMDB44991,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,57H,4-24,26-27,29-56H2,1-3H3/b28-25-/t57-/m1/s1",GFGMXYASPNDDEJ,DFOJIGQQSA,N,TG(18:0/20:1(11Z)/o-18:0),GFGMXYASPNDDEJ-DFOJIGQQSA-N
HMDB44992,912.814591188,C59H108O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,32,35,41,44,56H,4-24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b28-25-,35-32-,44-41-",FPSGXYMJVCGXOR,IPSDXETHSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/18:0)",FPSGXYMJVCGXOR-IPSDXETHSA-N
HMDB44993,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,34,37,43,46,58H,4-25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b29-26-,37-34-,46-43-/t58-/m0/s1",VUMXXMHKLBIICK,RWKAMNIQSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/20:0)",VUMXXMHKLBIICK-RWKAMNIQSA-N
HMDB44994,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26,29,36,39,45,48,60H,4-25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b29-26-,39-36-,48-45-/t60-/m0/s1",IMFARGSEPLYKKO,BVTSHZFNSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/22:0)",IMFARGSEPLYKKO-BVTSHZFNSA-N
HMDB44995,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h26,29,38,41,47,50,62H,4-25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b29-26-,41-38-,50-47-/t62-/m0/s1",XDHGERXYGNFZHJ,ACFIMWRDSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/24:0)",XDHGERXYGNFZHJ-ACFIMWRDSA-N
HMDB44996,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,37,40,52H,4-14,16-17,19-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b18-15-,26-24-,31-29-,40-37-/t52-/m1/s1",DDQSITQFLMKYCU,QSLQNDJJSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/14:1(9Z))",DDQSITQFLMKYCU-QSLQNDJJSA-N
HMDB44997,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,39,42,54H,4-20,22-23,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b24-21-,27-25-,33-30-,42-39-/t54-/m1/s1",HGGUZVCKVZRCSS,QLUDRBNQSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/16:1(9Z))",HGGUZVCKVZRCSS-QLUDRBNQSA-N
HMDB44998,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,28,32,35,41,44,56H,4-19,21-22,24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b23-20-,28-25-,35-32-,44-41-/t56-/m1/s1",AFROGRBBTHFYEB,MXTRRYSRSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/18:1(11Z))",AFROGRBBTHFYEB-MXTRRYSRSA-N
HMDB44999,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25-26,28,30,32,35,41,44,56H,4-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",XZKPVCCRIGYFOQ,LOIRZGMZSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/18:1(9Z))",XZKPVCCRIGYFOQ-LOIRZGMZSA-N
HMDB45000,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,34,37,43,46,58H,4-24,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b28-25-,29-26-,37-34-,46-43-/t58-/m0/s1",YUPFJKWSOWOCMK,BLBSEIANSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/20:1(11Z))",YUPFJKWSOWOCMK-BLBSEIANSA-N
HMDB45001,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33-34,36-37,42-43,45-46,58H,4-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",LASSEPGSFJGGFD,YKADQACPSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",LASSEPGSFJGGFD-YKADQACPSA-N
HMDB45002,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,36,39,45,48,60H,4-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b28-25-,29-26-,39-36-,48-45-/t60-/m0/s1",VRWLAKNBXGYTIC,JURZGQHSSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/22:1(13Z))",VRWLAKNBXGYTIC-JURZGQHSSA-N
HMDB45003,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,38,41,47,50,62H,4-24,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b28-25-,29-26-,41-38-,50-47-/t62-/m0/s1",WMLVYIMKKKMXPF,LGCUMSBVSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/24:1(15Z))",WMLVYIMKKKMXPF-LGCUMSBVSA-N
HMDB45004,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-26,28,30,32,35,41,44,56H,4-16,18-19,21-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b20-17-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",HWQRLKPWOLOCSN,UQJZJPSKSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",HWQRLKPWOLOCSN-UQJZJPSKSA-N
HMDB45005,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-26,28,30,32,35-36,39,41,44,56H,4-16,18-19,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b20-17-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1",MTRUANCVIODJKU,SDMCAIMNSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",MTRUANCVIODJKU-SDMCAIMNSA-N
HMDB45006,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,43,46,58H,4-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,46-43-/t58-/m0/s1",RIAMDRKMXQMVLR,HOEWZKDLSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/20:2n6)",RIAMDRKMXQMVLR-HOEWZKDLSA-N
HMDB45007,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-34,36-37,43,46,58H,4-15,17-18,20-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,37-34-,46-43-/t58-/m0/s1",QFSZKQLGODGUOA,DCPGJHHSSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/20:3n6)",QFSZKQLGODGUOA-DCPGJHHSSA-N
HMDB45008,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-15,17-18,20-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",LOGJEUXYIPJPNT,IJLMUZBNSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",LOGJEUXYIPJPNT-IJLMUZBNSA-N
HMDB45009,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,36,39,45,48,60H,4-15,17-18,20-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1",MCTXTKYETLGMSB,ZILCMUFCSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",MCTXTKYETLGMSB-ZILCMUFCSA-N
HMDB45010,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-15,17-18,20-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1",ZHWSKYWMVCGRBA,DMLNBLJSSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",ZHWSKYWMVCGRBA-DMLNBLJSSA-N
HMDB45011,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-15,17-18,20-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",MQTQRKAUZZYKLD,NSJYWYAVSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MQTQRKAUZZYKLD-NSJYWYAVSA-N
HMDB45012,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,30,32,35,41,44,56H,4-7,9-10,12-16,18-19,21-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",GVQSYHQXOACWOZ,XSZPHWQLSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",GVQSYHQXOACWOZ-XSZPHWQLSA-N
HMDB45013,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,30,32,35-36,39,41,44,56H,4-7,9-10,12-16,18-19,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1",OVTSGIRVMSLTRB,CZYBMTOUSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",OVTSGIRVMSLTRB-CZYBMTOUSA-N
HMDB45014,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-34,36-37,43,46,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,37-34-,46-43-/t58-/m0/s1",HRMHDMGYTNUGHO,HVXMMASJSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",HRMHDMGYTNUGHO-HVXMMASJSA-N
HMDB45015,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",HGZCDKQJLODJMF,FAHOYUNOSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HGZCDKQJLODJMF-FAHOYUNOSA-N
HMDB45016,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1",LRLJXQHYZIWUEY,VEWYSBMJSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LRLJXQHYZIWUEY-VEWYSBMJSA-N
HMDB45017,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",ZAABBQKBBZHIKW,HIGBRWCSSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZAABBQKBBZHIKW-HIGBRWCSSA-N
HMDB45018,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,32,35,41,44,57H,4-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b28-25-,35-32-,44-41-/t57-/m1/s1",MONQFMWOGKKXJD,UUCALCINSA,N,"TG(18:0/20:3(5Z,8Z,11Z)/o-18:0)",MONQFMWOGKKXJD-UUCALCINSA-N
HMDB45019,944.877191444,C61H116O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25,28,58H,4-24,26-27,29-57H2,1-3H3/b28-25-",GYHYVNKPQZPUGA,FVDSYPCUSA,N,TG(18:0/22:1(13Z)/18:0),GYHYVNKPQZPUGA-FVDSYPCUSA-N
HMDB45020,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,60H,4-24,26-27,29-59H2,1-3H3/b28-25-/t60-/m0/s1",YENXZCWCIMKQCY,HZLQDPIMSA,N,TG(18:0/22:1(13Z)/20:0),YENXZCWCIMKQCY-HZLQDPIMSA-N
HMDB45021,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h26,29,62H,4-25,27-28,30-61H2,1-3H3/b29-26-/t62-/m0/s1",LRABIRNESNBMCK,BNJYWYPOSA,N,TG(18:0/22:1(13Z)/22:0),LRABIRNESNBMCK-BNJYWYPOSA-N
HMDB45022,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,64H,4-25,27-28,30-63H2,1-3H3/b29-26-/t64-/m0/s1",BSCMOURDXACAIY,ARILNZPQSA,N,TG(18:0/22:1(13Z)/24:0),BSCMOURDXACAIY-ARILNZPQSA-N
HMDB45023,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,24,26,54H,4-14,16-17,19-23,25,27-53H2,1-3H3/b18-15-,26-24-/t54-/m1/s1",ZUALNYLNJSRFTJ,VADMYHFGSA,N,TG(18:0/22:1(13Z)/14:1(9Z)),ZUALNYLNJSRFTJ-VADMYHFGSA-N
HMDB45024,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-/t56-/m1/s1",YXNAYHGGFGKLHS,HVYAKTSASA,N,TG(18:0/22:1(13Z)/16:1(9Z)),YXNAYHGGFGKLHS-HVYAKTSASA-N
HMDB45025,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20,23,25,28,58H,4-19,21-22,24,26-27,29-57H2,1-3H3/b23-20-,28-25-/t58-/m1/s1",FGOIRQZPYNSNTG,KIYGDOFBSA,N,TG(18:0/22:1(13Z)/18:1(11Z)),FGOIRQZPYNSNTG-KIYGDOFBSA-N
HMDB45026,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25-26,28,32,58H,4-24,27,29-31,33-57H2,1-3H3/b28-25-,32-26-/t58-/m1/s1",HTXFYVWYFJNSRG,RWMORWPJSA,N,TG(18:0/22:1(13Z)/18:1(9Z)),HTXFYVWYFJNSRG-RWMORWPJSA-N
HMDB45027,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,60H,4-24,27,30-59H2,1-3H3/b28-25-,29-26-/t60-/m0/s1",MRYNICMNUGGZAJ,HQBPBTHXSA,N,TG(18:0/22:1(13Z)/20:1(11Z)),MRYNICMNUGGZAJ-HQBPBTHXSA-N
HMDB45028,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,35,38,44,47,60H,4-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",HBMHHUTWSLFSBG,OAHZRARMSA,N,"TG(18:0/22:1(13Z)/20:3(5Z,8Z,11Z))",HBMHHUTWSLFSBG-OAHZRARMSA-N
HMDB45029,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-/t62-/m0/s1",SEYYVPXGFHOCPF,KUPCSHKGSA,N,TG(18:0/22:1(13Z)/22:1(13Z)),SEYYVPXGFHOCPF-KUPCSHKGSA-N
HMDB45030,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-/t64-/m0/s1",IZDPFBMILICKMB,GALFXKOHSA,N,TG(18:0/22:1(13Z)/24:1(15Z)),IZDPFBMILICKMB-GALFXKOHSA-N
HMDB45031,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,25-26,28,32,58H,4-16,18-19,21-24,27,29-31,33-57H2,1-3H3/b20-17-,28-25-,32-26-/t58-/m1/s1",BCDRZMKISYSJPP,CGSGPZGSSA,N,"TG(18:0/22:1(13Z)/18:2(9Z,12Z))",BCDRZMKISYSJPP-CGSGPZGSSA-N
HMDB45032,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,25-26,28,32,38,41,58H,4-16,18-19,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b20-17-,28-25-,32-26-,41-38-/t58-/m1/s1",JWEMQLKKBMDMSC,UANQULQISA,N,"TG(18:0/22:1(13Z)/18:3(6Z,9Z,12Z))",JWEMQLKKBMDMSC-UANQULQISA-N
HMDB45033,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,60H,4-16,18-19,21-24,27,30-59H2,1-3H3/b20-17-,28-25-,29-26-/t60-/m0/s1",QXOPDZOQHIVILD,HHIZIFKISA,N,TG(18:0/22:1(13Z)/20:2n6),QXOPDZOQHIVILD-HHIZIFKISA-N
HMDB45034,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,60H,4-16,18-19,21-24,27,30-34,36-37,39-59H2,1-3H3/b20-17-,28-25-,29-26-,38-35-/t60-/m0/s1",NKVPAWUMBWESJM,XDRDHHGRSA,N,TG(18:0/22:1(13Z)/20:3n6),NKVPAWUMBWESJM-XDRDHHGRSA-N
HMDB45035,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,44,47,60H,4-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",VRRPYVKHLUMVJX,BDPNYXBCSA,N,"TG(18:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",VRRPYVKHLUMVJX-BDPNYXBCSA-N
HMDB45036,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,62H,4-15,17-18,20-24,27,30-61H2,1-3H3/b19-16-,28-25-,29-26-/t62-/m0/s1",GSTJKUQNPYVUPI,AJYPDSEHSA,N,"TG(18:0/22:1(13Z)/22:2(13Z,16Z))",GSTJKUQNPYVUPI-AJYPDSEHSA-N
HMDB45037,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,40,43,62H,4-15,17-18,20-24,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,43-40-/t62-/m0/s1",JKCABQFBCNXWMT,RYYINNAISA,N,"TG(18:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",JKCABQFBCNXWMT-RYYINNAISA-N
HMDB45038,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,40,43,49,52,62H,4-15,17-18,20-24,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,43-40-,52-49-/t62-/m0/s1",OMOOYNLCPJONBF,MWBYWGMMSA,N,"TG(18:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OMOOYNLCPJONBF-MWBYWGMMSA-N
HMDB45039,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,32,58H,4-7,9-10,12-16,18-19,21-24,27,29-31,33-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-/t58-/m1/s1",UVBMJNGWTCZEQF,PMEQYAFJSA,N,"TG(18:0/22:1(13Z)/18:3(9Z,12Z,15Z))",UVBMJNGWTCZEQF-PMEQYAFJSA-N
HMDB45040,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,32,38,41,58H,4-7,9-10,12-16,18-19,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,41-38-/t58-/m1/s1",IVSODIBGMZTYCH,UKYDEWOGSA,N,"TG(18:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",IVSODIBGMZTYCH-UKYDEWOGSA-N
HMDB45041,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,60H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-/t60-/m0/s1",WFKRBGOCZSKULO,PSUWRVPUSA,N,"TG(18:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",WFKRBGOCZSKULO-PSUWRVPUSA-N
HMDB45042,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,44,47,60H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",MAHQPVANDQGZIN,NTNWIWTMSA,N,"TG(18:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MAHQPVANDQGZIN-NTNWIWTMSA-N
HMDB45043,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,40,43,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,43-40-/t62-/m0/s1",DYLNKZBYWMGRQV,VUMIOLNBSA,N,"TG(18:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DYLNKZBYWMGRQV-VUMIOLNBSA-N
HMDB45044,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,43-40-,52-49-/t62-/m0/s1",MQACAYQPTWUYSM,XQRCILTBSA,N,"TG(18:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MQACAYQPTWUYSM-XQRCILTBSA-N
HMDB45045,930.8979269,C61H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-/t59-/m1/s1",FWKOTPGWVXVCAO,VHEGMGFBSA,N,TG(18:0/22:1(13Z)/o-18:0),FWKOTPGWVXVCAO-VHEGMGFBSA-N
HMDB45046,972.908491572,C63H120O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25,28,60H,4-24,26-27,29-59H2,1-3H3/b28-25-",KUKLTLNSTKLWOK,FVDSYPCUSA,N,TG(18:0/24:1(15Z)/18:0),KUKLTLNSTKLWOK-FVDSYPCUSA-N
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HMDB45067,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,34,40,43,60H,4-7,9-10,12-16,18-19,21-24,27,29-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-,43-40-/t60-/m1/s1",JLGWZFFBMBENJB,KYXQNJKZSA,N,"TG(18:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",JLGWZFFBMBENJB-KYXQNJKZSA-N
HMDB45068,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,62H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-/t62-/m0/s1",IXEVKXKSRYRNPD,HINQXNABSA,N,"TG(18:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",IXEVKXKSRYRNPD-HINQXNABSA-N
HMDB45069,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,46,49,62H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-,49-46-/t62-/m0/s1",ZETKEVIXGPAGNA,SLMDDOOISA,N,"TG(18:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZETKEVIXGPAGNA-SLMDDOOISA-N
HMDB45070,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,42,45,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,45-42-/t64-/m0/s1",FBDYCNLWQOAFAJ,HYUAHZTRSA,N,"TG(18:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FBDYCNLWQOAFAJ-HYUAHZTRSA-N
HMDB45071,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,42,45,51,54,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,45-42-,54-51-/t64-/m0/s1",YUIIIOBRVHYZPM,BJCPUNTRSA,N,"TG(18:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YUIIIOBRVHYZPM-BJCPUNTRSA-N
HMDB45072,958.929227028,C63H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-/t61-/m1/s1",WIUBICRACXYXHV,NYRYLARASA,N,TG(18:0/24:1(15Z)/o-18:0),WIUBICRACXYXHV-NYRYLARASA-N
HMDB45073,886.798941133,C57H106O6,[H]C(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,54H,4-17,19-20,22-26,28-29,31-53H2,1-3H3/b21-18-,30-27-",BCQDFMKSIQCOGR,QYIMKBBWSA,N,"TG(18:0/18:2(9Z,12Z)/18:0)",BCQDFMKSIQCOGR-QYIMKBBWSA-N
HMDB45075,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,27,33,58H,4-17,19-20,22-26,28-32,34-57H2,1-3H3/b21-18-,33-27-/t58-/m0/s1",VTHDNMHRPKXWMZ,WMMWWMJFSA,N,"TG(18:0/18:2(9Z,12Z)/22:0)",VTHDNMHRPKXWMZ-WMMWWMJFSA-N
HMDB45076,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,27,35,60H,4-17,19-20,22-26,28-34,36-59H2,1-3H3/b21-18-,35-27-/t60-/m0/s1",FUYKNMGGFRUDSS,XMDWGKHBSA,N,"TG(18:0/18:2(9Z,12Z)/24:0)",FUYKNMGGFRUDSS-XMDWGKHBSA-N
HMDB45077,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,50H,4-14,16,19,21-24,26,28-49H2,1-3H3/b18-15-,20-17-,27-25-/t50-/m1/s1",ZBBPNCDAGYNCQZ,GXDQKBBSSA,N,"TG(18:0/18:2(9Z,12Z)/14:1(9Z))",ZBBPNCDAGYNCQZ-GXDQKBBSSA-N
HMDB45078,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,52H,4-16,18-19,22-23,25,27,29-51H2,1-3H3/b20-17-,24-21-,28-26-/t52-/m1/s1",TZMQOSMAJITOAT,TWPJAYPBSA,N,"TG(18:0/18:2(9Z,12Z)/16:1(9Z))",TZMQOSMAJITOAT-TWPJAYPBSA-N
HMDB45079,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-19,21-22,27,30,54H,4-17,20,23-26,28-29,31-53H2,1-3H3/b21-18-,22-19-,30-27-/t54-/m1/s1",OKAAPUQYUHINCC,JPAMPYFZSA,N,"TG(18:0/18:2(9Z,12Z)/18:1(11Z))",OKAAPUQYUHINCC-JPAMPYFZSA-N
HMDB45080,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,54H,4-17,19-20,22-24,26,29,31-53H2,1-3H3/b21-18-,28-25-,30-27-/t54-/m1/s1",AAXMCYUUKFLUMJ,JSFHAIONSA,N,"TG(18:0/18:2(9Z,12Z)/18:1(9Z))",AAXMCYUUKFLUMJ-JSFHAIONSA-N
HMDB45082,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,31-32,34,40,43,56H,4-17,19-20,22-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b21-18-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",RFOHHYOCISHOND,SLCOONPOSA,N,"TG(18:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",RFOHHYOCISHOND-SLCOONPOSA-N
HMDB45083,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,33,58H,4-17,19-20,22-24,26,29-32,34-57H2,1-3H3/b21-18-,28-25-,33-27-/t58-/m0/s1",AGXFHKUZXQPREM,VBDNUALRSA,N,"TG(18:0/18:2(9Z,12Z)/22:1(13Z))",AGXFHKUZXQPREM-VBDNUALRSA-N
HMDB45084,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,35,60H,4-17,19-20,22-24,26,29-34,36-59H2,1-3H3/b21-18-,28-25-,35-27-/t60-/m0/s1",PEXSAAMYDXHXJR,KUDLTUAXSA,N,"TG(18:0/18:2(9Z,12Z)/24:1(15Z))",PEXSAAMYDXHXJR-KUDLTUAXSA-N
HMDB45086,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,37,54H,4-15,17,20,22-24,26,29,31-33,35-36,38-53H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-/t54-/m1/s1",FOOVNYMOCOZYCS,FEJMAITCSA,N,"TG(18:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",FOOVNYMOCOZYCS-FEJMAITCSA-N
HMDB45087,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,56H,4-15,17,20,22-24,26,29-30,32-55H2,1-3H3/b19-16-,21-18-,28-25-,31-27-/t56-/m0/s1",KCXYPLXAEGBBBO,RZWOSKHRSA,N,"TG(18:0/18:2(9Z,12Z)/20:2n6)",KCXYPLXAEGBBBO-RZWOSKHRSA-N
HMDB45088,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31-32,34,56H,4-15,17,20,22-24,26,29-30,33,35-55H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-/t56-/m0/s1",SCBOHNVGOWEHJA,PEESJREQSA,N,"TG(18:0/18:2(9Z,12Z)/20:3n6)",SCBOHNVGOWEHJA-PEESJREQSA-N
HMDB45090,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,33,58H,4-15,17,20,22-24,26,29-32,34-57H2,1-3H3/b19-16-,21-18-,28-25-,33-27-/t58-/m0/s1",OZEFVBNHXBHBOW,JMKRSAAASA,N,"TG(18:0/18:2(9Z,12Z)/22:2(13Z,16Z))",OZEFVBNHXBHBOW-JMKRSAAASA-N
HMDB45091,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30-31,33,36,39,58H,4-15,17,20,22-24,26,29,32,34-35,37-38,40-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,33-27-,39-36-/t58-/m0/s1",KRLVRXOALDUXHL,WKTJBRAPSA,N,"TG(18:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",KRLVRXOALDUXHL-WKTJBRAPSA-N
HMDB45092,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30-31,33,36,39,45,48,58H,4-15,17,20,22-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1",PQKVSFDPGGRPIJ,YXLBWYSVSA,N,"TG(18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PQKVSFDPGGRPIJ-YXLBWYSVSA-N
HMDB45093,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,54H,4-6,8-9,11-15,17,20,22-24,26,29,31-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-/t54-/m1/s1",CFIAQJQGPHURGU,YRSSWLJYSA,N,"TG(18:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",CFIAQJQGPHURGU-YRSSWLJYSA-N
HMDB45094,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,37,54H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-/t54-/m1/s1",DQBBVSOYDVFHHR,HWJVNGORSA,N,"TG(18:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",DQBBVSOYDVFHHR-HWJVNGORSA-N
HMDB45095,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31-32,34,56H,4-6,8-9,11-15,17,20,22-24,26,29-30,33,35-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,34-32-/t56-/m0/s1",SYAYZEWLIDDDPK,QRRSMKQRSA,N,"TG(18:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",SYAYZEWLIDDDPK-QRRSMKQRSA-N
HMDB45096,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31-32,34,40,43,56H,4-6,8-9,11-15,17,20,22-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",SMJTYOQPPLZJHD,VETNSTBYSA,N,"TG(18:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SMJTYOQPPLZJHD-VETNSTBYSA-N
HMDB45097,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30-31,33,36,39,58H,4-6,8-9,11-15,17,20,22-24,26,29,32,34-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-/t58-/m0/s1",YHFIZGHDADTNCU,OEADFUOFSA,N,"TG(18:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YHFIZGHDADTNCU-OEADFUOFSA-N
HMDB45098,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30-31,33,36,39,45,48,58H,4-6,8-9,11-15,17,20,22-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1",HHLFQZIIXPUFCA,KIZDZYDBSA,N,"TG(18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HHLFQZIIXPUFCA-KIZDZYDBSA-N
HMDB45099,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,55H,4-17,19-20,22-26,28-29,31-54H2,1-3H3/b21-18-,30-27-/t55-/m1/s1",MJZWICJYAKXDMA,QLXCBKLBSA,N,"TG(18:0/18:2(9Z,12Z)/o-18:0)",MJZWICJYAKXDMA-QLXCBKLBSA-N
HMDB45100,884.78329106,C57H104O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,54H,4-17,19-20,22-26,28-29,31-35,37-38,40-53H2,1-3H3/b21-18-,30-27-,39-36-",SXDAWDWMVQAQOY,BXDHOHHHSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/18:0)",SXDAWDWMVQAQOY-BXDHOHHHSA-N
HMDB45101,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,27,31,38,41,56H,4-17,19-20,22-26,28-30,32-37,39-40,42-55H2,1-3H3/b21-18-,31-27-,41-38-/t56-/m0/s1",BBXMDCZDAROICL,RWDRUCOISA,N,"TG(18:0/18:3(6Z,9Z,12Z)/20:0)",BBXMDCZDAROICL-RWDRUCOISA-N
HMDB45102,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,27,33,40,43,58H,4-17,19-20,22-26,28-32,34-39,41-42,44-57H2,1-3H3/b21-18-,33-27-,43-40-/t58-/m0/s1",QUXKGFALHOZZDI,BLAZJOSUSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/22:0)",QUXKGFALHOZZDI-BLAZJOSUSA-N
HMDB45103,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,27,35,42,45,60H,4-17,19-20,22-26,28-34,36-41,43-44,46-59H2,1-3H3/b21-18-,35-27-,45-42-/t60-/m0/s1",JTJZUFAYMWLIGR,GFXRHTKRSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/24:0)",JTJZUFAYMWLIGR-GFXRHTKRSA-N
HMDB45104,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,35,50H,4-14,16,19,21-24,26,28-31,33-34,36-49H2,1-3H3/b18-15-,20-17-,27-25-,35-32-/t50-/m1/s1",UHTWMNNYFNHAGE,YPPAEUEOSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/14:1(9Z))",UHTWMNNYFNHAGE-YPPAEUEOSA-N
HMDB45105,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,52H,4-16,18-19,22-23,25,27,29-33,35-36,38-51H2,1-3H3/b20-17-,24-21-,28-26-,37-34-/t52-/m1/s1",NRUZVZPWQZLTCV,ZQFAHWRSSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/16:1(9Z))",NRUZVZPWQZLTCV-ZQFAHWRSSA-N
HMDB45106,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-19,21-22,27,30,36,39,54H,4-17,20,23-26,28-29,31-35,37-38,40-53H2,1-3H3/b21-18-,22-19-,30-27-,39-36-/t54-/m1/s1",JIYHMQDXQDVDIQ,UWWYLVAFSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/18:1(11Z))",JIYHMQDXQDVDIQ-UWWYLVAFSA-N
HMDB45107,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,36,39,54H,4-17,19-20,22-24,26,29,31-35,37-38,40-53H2,1-3H3/b21-18-,28-25-,30-27-,39-36-/t54-/m1/s1",JLLNDMXBRCFCMO,HMUWYHQJSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/18:1(9Z))",JLLNDMXBRCFCMO-HMUWYHQJSA-N
HMDB45108,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,31,38,41,56H,4-17,19-20,22-24,26,29-30,32-37,39-40,42-55H2,1-3H3/b21-18-,28-25-,31-27-,41-38-/t56-/m0/s1",ZRMFKKQHFTXVCM,DWGIRIRZSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/20:1(11Z))",ZRMFKKQHFTXVCM-DWGIRIRZSA-N
HMDB45109,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,31-32,34,38,40-41,43,56H,4-17,19-20,22-24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b21-18-,28-25-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",MKZXJBDJMSSXAE,PGNVUDPKSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",MKZXJBDJMSSXAE-PGNVUDPKSA-N
HMDB45110,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,33,40,43,58H,4-17,19-20,22-24,26,29-32,34-39,41-42,44-57H2,1-3H3/b21-18-,28-25-,33-27-,43-40-/t58-/m0/s1",NWCGBGIXJBNACP,ZAXCPQCGSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/22:1(13Z))",NWCGBGIXJBNACP-ZAXCPQCGSA-N
HMDB45111,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,35,42,45,60H,4-17,19-20,22-24,26,29-34,36-41,43-44,46-59H2,1-3H3/b21-18-,28-25-,35-27-,45-42-/t60-/m0/s1",XZCFLUUMROMSAR,PXKUIHTLSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/24:1(15Z))",XZCFLUUMROMSAR-PXKUIHTLSA-N
HMDB45112,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,36,39,54H,4-15,17,20,22-24,26,29,31-35,37-38,40-53H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,39-36-/t54-/m1/s1",FHKXPCWAEDEJKG,LEDSTZLCSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",FHKXPCWAEDEJKG-LEDSTZLCSA-N
HMDB45113,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,54H,4-15,17,20,22-24,26,29,31-33,35,38,40-53H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-/t54-/m1/s1",YFSUXBREMFQRTA,SDAZPXIRSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",YFSUXBREMFQRTA-SDAZPXIRSA-N
HMDB45114,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,38,41,56H,4-15,17,20,22-24,26,29-30,32-37,39-40,42-55H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,41-38-/t56-/m0/s1",CALPQPPBXIEGRX,CQRNSFJNSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/20:2n6)",CALPQPPBXIEGRX-CQRNSFJNSA-N
HMDB45115,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31-32,34,38,41,56H,4-15,17,20,22-24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-,41-38-/t56-/m0/s1",DTZRWGXUFSGPFR,PRRODSMOSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/20:3n6)",DTZRWGXUFSGPFR-PRRODSMOSA-N
HMDB45116,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31-32,34,38,40-41,43,56H,4-15,17,20,22-24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",ORKIAEULOAKGLC,OTKZDPHSSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",ORKIAEULOAKGLC-OTKZDPHSSA-N
HMDB45117,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,33,40,43,58H,4-15,17,20,22-24,26,29-32,34-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,33-27-,43-40-/t58-/m0/s1",QKZPDGAYJCRIFC,WEWUUQGZSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",QKZPDGAYJCRIFC-WEWUUQGZSA-N
HMDB45118,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30-31,33,36,39-40,43,58H,4-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-/t58-/m0/s1",RJSBUQNZUYGZTD,PSLXCRTLSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",RJSBUQNZUYGZTD-PSLXCRTLSA-N
HMDB45119,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-/t58-/m0/s1",WNXXPLLNFQVGIV,PCIFUVFCSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WNXXPLLNFQVGIV-PCIFUVFCSA-N
HMDB45120,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,36,39,54H,4-6,8-9,11-15,17,20,22-24,26,29,31-35,37-38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,39-36-/t54-/m1/s1",NSVZZMLKVNWYJQ,BAIVTEKASA,N,"TG(18:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",NSVZZMLKVNWYJQ-BAIVTEKASA-N
HMDB45121,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,54H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-/t54-/m1/s1",KCYUHXOTUWANPU,MJSRJYDASA,N,"TG(18:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",KCYUHXOTUWANPU-MJSRJYDASA-N
HMDB45122,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31-32,34,38,41,56H,4-6,8-9,11-15,17,20,22-24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-/t56-/m0/s1",TXQAYRBLAOBXRH,SUJSTCGASA,N,"TG(18:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",TXQAYRBLAOBXRH-SUJSTCGASA-N
HMDB45123,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31-32,34,38,40-41,43,56H,4-6,8-9,11-15,17,20,22-24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",OFANTJYXLPWOPY,CGRWBASXSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",OFANTJYXLPWOPY-CGRWBASXSA-N
HMDB45124,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30-31,33,36,39-40,43,58H,4-6,8-9,11-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-/t58-/m0/s1",UALRMTMYVKACCZ,XIWRCGNJSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UALRMTMYVKACCZ-XIWRCGNJSA-N
HMDB45125,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-6,8-9,11-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-/t58-/m0/s1",DEASEYMWKHOPDK,ARBHWHKZSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DEASEYMWKHOPDK-ARBHWHKZSA-N
HMDB45126,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,55H,4-17,19-20,22-26,28-29,31-35,37-38,40-54H2,1-3H3/b21-18-,30-27-,39-36-/t55-/m1/s1",OSNTYLCOCUHBGM,QMUGSFBZSA,N,"TG(18:0/18:3(6Z,9Z,12Z)/o-18:0)",OSNTYLCOCUHBGM-QMUGSFBZSA-N
HMDB45127,914.830241262,C59H110O6,[H]C(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,56H,4-15,17-18,20-24,26-27,29-55H2,1-3H3/b19-16-,28-25-",OKJDYZDDQFURDR,LVBVOWIESA,N,TG(18:0/20:2n6/18:0),OKJDYZDDQFURDR-LVBVOWIESA-N
HMDB45128,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,58H,4-16,18-19,21-25,27-28,30-57H2,1-3H3/b20-17-,29-26-/t58-/m0/s1",QPDHZEQJAFYSNE,FPHZGZEOSA,N,TG(18:0/20:2n6/20:0),QPDHZEQJAFYSNE-FPHZGZEOSA-N
HMDB45129,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,60H,4-16,18-19,21-25,27-28,30-59H2,1-3H3/b20-17-,29-26-/t60-/m0/s1",UEPNNQMHGKLSKK,ZTVVXRKDSA,N,TG(18:0/20:2n6/22:0),UEPNNQMHGKLSKK-ZTVVXRKDSA-N
HMDB45130,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,62H,4-16,18-19,21-25,27-28,30-61H2,1-3H3/b20-17-,29-26-/t62-/m0/s1",SQBIYHHOSFFRTM,HYWLJCHLSA,N,TG(18:0/20:2n6/24:0),SQBIYHHOSFFRTM-HYWLJCHLSA-N
HMDB45131,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,52H,4-14,17,20-23,25,27-51H2,1-3H3/b18-15-,19-16-,26-24-/t52-/m1/s1",UJRVGGIOIJYNLP,INLODCDNSA,N,TG(18:0/20:2n6/14:1(9Z)),UJRVGGIOIJYNLP-INLODCDNSA-N
HMDB45132,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,54H,4-15,17-18,20,22-23,26,28-53H2,1-3H3/b19-16-,24-21-,27-25-/t54-/m1/s1",UEOJWPZDTKLQJA,ISJYKPTOSA,N,TG(18:0/20:2n6/16:1(9Z)),UEOJWPZDTKLQJA-ISJYKPTOSA-N
HMDB45133,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,28,56H,4-15,17-18,21-22,24,26-27,29-55H2,1-3H3/b19-16-,23-20-,28-25-/t56-/m1/s1",HPIBSIIOPMOTHY,GYSNFMOMSA,N,TG(18:0/20:2n6/18:1(11Z)),HPIBSIIOPMOTHY-GYSNFMOMSA-N
HMDB45134,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25-26,28,30,56H,4-15,17-18,20-24,27,29,31-55H2,1-3H3/b19-16-,28-25-,30-26-/t56-/m1/s1",ZAOLKHHCIHFYAO,ZZDHUHLZSA,N,TG(18:0/20:2n6/18:1(9Z)),ZAOLKHHCIHFYAO-ZZDHUHLZSA-N
HMDB45135,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,58H,4-16,18-19,21-24,27,30-57H2,1-3H3/b20-17-,28-25-,29-26-/t58-/m0/s1",YRNOILAKWQZJOO,CXWPALGVSA,N,TG(18:0/20:2n6/20:1(11Z)),YRNOILAKWQZJOO-CXWPALGVSA-N
HMDB45136,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33,36,42,45,58H,4-16,18-19,21-24,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b20-17-,28-25-,29-26-,36-33-,45-42-/t58-/m0/s1",AXSMOZVQLTUCKB,MDBCPEOISA,N,"TG(18:0/20:2n6/20:3(5Z,8Z,11Z))",AXSMOZVQLTUCKB-MDBCPEOISA-N
HMDB45137,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,60H,4-16,18-19,21-24,27,30-59H2,1-3H3/b20-17-,28-25-,29-26-/t60-/m0/s1",VFMVVXVFRDLZMQ,HHIZIFKISA,N,TG(18:0/20:2n6/22:1(13Z)),VFMVVXVFRDLZMQ-HHIZIFKISA-N
HMDB45138,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,62H,4-16,18-19,21-24,27,30-61H2,1-3H3/b20-17-,28-25-,29-26-/t62-/m0/s1",MASLQEBHRGXIHR,MZWRUBICSA,N,TG(18:0/20:2n6/24:1(15Z)),MASLQEBHRGXIHR-MZWRUBICSA-N
HMDB45139,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30,56H,4-15,18,21-24,27,29,31-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-/t56-/m1/s1",YYUXQRJYQWMNNY,YNEVKRCISA,N,"TG(18:0/20:2n6/18:2(9Z,12Z))",YYUXQRJYQWMNNY-YNEVKRCISA-N
HMDB45140,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30,36,39,56H,4-15,18,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,39-36-/t56-/m1/s1",ZYROZFBRMAIOMS,LLIGWUHPSA,N,"TG(18:0/20:2n6/18:3(6Z,9Z,12Z))",ZYROZFBRMAIOMS-LLIGWUHPSA-N
HMDB45141,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,58H,4-15,18,21-24,27,30-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-/t58-/m0/s1",SBHOBWMHSSIWIO,CLBRXFEDSA,N,TG(18:0/20:2n6/20:2n6),SBHOBWMHSSIWIO-CLBRXFEDSA-N
HMDB45142,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,58H,4-15,18,21-24,27,30-32,34-35,37-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-/t58-/m0/s1",LWBZPOAVBXLCJN,ACYBSJIKSA,N,TG(18:0/20:2n6/20:3n6),LWBZPOAVBXLCJN-ACYBSJIKSA-N
HMDB45143,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,42,45,58H,4-15,18,21-24,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,45-42-/t58-/m0/s1",MMBHCWYOVBLXKJ,VJXHLRGPSA,N,"TG(18:0/20:2n6/20:4(5Z,8Z,11Z,14Z))",MMBHCWYOVBLXKJ-VJXHLRGPSA-N
HMDB45144,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,60H,4-15,18,21-24,27,30-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-/t60-/m0/s1",GNKDSUNTVMVVBM,OGRIISAJSA,N,"TG(18:0/20:2n6/22:2(13Z,16Z))",GNKDSUNTVMVVBM-OGRIISAJSA-N
HMDB45145,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,38,41,60H,4-15,18,21-24,27,30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",NKQWVJHGQMXCFY,CWBHPBIOSA,N,"TG(18:0/20:2n6/22:4(7Z,10Z,13Z,16Z))",NKQWVJHGQMXCFY-CWBHPBIOSA-N
HMDB45146,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,38,41,47,50,60H,4-15,18,21-24,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,41-38-,50-47-/t60-/m0/s1",KDLOZCKWGYGWSF,FVERTMILSA,N,"TG(18:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",KDLOZCKWGYGWSF-FVERTMILSA-N
HMDB45147,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30,56H,4-7,9-10,12-15,18,21-24,27,29,31-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-/t56-/m1/s1",RQWJGWWRRXMBQP,WKHAEVMHSA,N,"TG(18:0/20:2n6/18:3(9Z,12Z,15Z))",RQWJGWWRRXMBQP-WKHAEVMHSA-N
HMDB45148,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30,36,39,56H,4-7,9-10,12-15,18,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,39-36-/t56-/m1/s1",MRWAHZYJYNYPMQ,WWVGTPLTSA,N,"TG(18:0/20:2n6/18:4(6Z,9Z,12Z,15Z))",MRWAHZYJYNYPMQ-WWVGTPLTSA-N
HMDB45149,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,36,58H,4-6,8-9,11-15,18,21-24,27,30-32,34-35,37-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-/t58-/m0/s1",LUZZHCGWEFFMCB,VARZYPQRSA,N,"TG(18:0/20:2n6/20:4(8Z,11Z,14Z,17Z))",LUZZHCGWEFFMCB-VARZYPQRSA-N
HMDB45150,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,36,42,45,58H,4-6,8-9,11-15,18,21-24,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,45-42-/t58-/m0/s1",NHRHJDYCWDFKCH,XOIWLILPSA,N,"TG(18:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",NHRHJDYCWDFKCH-XOIWLILPSA-N
HMDB45151,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,38,41,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",HFRGNKHIRLSKNN,YSOHXPGASA,N,"TG(18:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",HFRGNKHIRLSKNN-YSOHXPGASA-N
HMDB45152,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,38,41,47,50,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,41-38-,50-47-/t60-/m0/s1",XLDJIGJUYLTKCW,AMQQJGMESA,N,"TG(18:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XLDJIGJUYLTKCW-AMQQJGMESA-N
HMDB45153,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,57H,4-15,17-18,20-24,26-27,29-56H2,1-3H3/b19-16-,28-25-/t57-/m1/s1",IDNFRJBDXYQKBM,GKMOKLMGSA,N,TG(18:0/20:2n6/o-18:0),IDNFRJBDXYQKBM-GKMOKLMGSA-N
HMDB45154,912.814591188,C59H108O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,56H,4-15,17-18,20-24,26-27,29-31,33-34,36-55H2,1-3H3/b19-16-,28-25-,35-32-",GIQVVWVTQFGYMZ,USOCZXNCSA,N,TG(18:0/20:3n6/18:0),GIQVVWVTQFGYMZ-USOCZXNCSA-N
HMDB45155,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,58H,4-16,18-19,21-25,27-28,30-33,35-36,38-57H2,1-3H3/b20-17-,29-26-,37-34-/t58-/m0/s1",KXAMFYWJHGZEGH,POVCTMQZSA,N,TG(18:0/20:3n6/20:0),KXAMFYWJHGZEGH-POVCTMQZSA-N
HMDB45156,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,60H,4-16,18-19,21-25,27-28,30-35,37-38,40-59H2,1-3H3/b20-17-,29-26-,39-36-/t60-/m0/s1",ZPZAEIZDMKHCGA,DQJQKEMASA,N,TG(18:0/20:3n6/22:0),ZPZAEIZDMKHCGA-DQJQKEMASA-N
HMDB45157,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,62H,4-16,18-19,21-25,27-28,30-37,39-40,42-61H2,1-3H3/b20-17-,29-26-,41-38-/t62-/m0/s1",NYTNTDCUGCQYKB,XSEQURIYSA,N,TG(18:0/20:3n6/24:0),NYTNTDCUGCQYKB-XSEQURIYSA-N
HMDB45158,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,52H,4-14,17,20-23,25,27-28,30,32-51H2,1-3H3/b18-15-,19-16-,26-24-,31-29-/t52-/m1/s1",YOROAUIVOMBEEH,NFEXYSPVSA,N,TG(18:0/20:3n6/14:1(9Z)),YOROAUIVOMBEEH-NFEXYSPVSA-N
HMDB45159,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,54H,4-15,17-18,20,22-23,26,28-29,31-32,34-53H2,1-3H3/b19-16-,24-21-,27-25-,33-30-/t54-/m1/s1",WZYMUGLYGUNQDO,NWAIAITFSA,N,TG(18:0/20:3n6/16:1(9Z)),WZYMUGLYGUNQDO-NWAIAITFSA-N
HMDB45160,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,28,32,35,56H,4-15,17-18,21-22,24,26-27,29-31,33-34,36-55H2,1-3H3/b19-16-,23-20-,28-25-,35-32-/t56-/m1/s1",ANNJMSPAHPPFFE,BBVAKWHQSA,N,TG(18:0/20:3n6/18:1(11Z)),ANNJMSPAHPPFFE-BBVAKWHQSA-N
HMDB45161,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25-26,28,30,32,35,56H,4-15,17-18,20-24,27,29,31,33-34,36-55H2,1-3H3/b19-16-,28-25-,30-26-,35-32-/t56-/m1/s1",AHUYYNCCKZYQMM,LJSVLFQDSA,N,TG(18:0/20:3n6/18:1(9Z)),AHUYYNCCKZYQMM-LJSVLFQDSA-N
HMDB45162,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,58H,4-16,18-19,21-24,27,30-33,35-36,38-57H2,1-3H3/b20-17-,28-25-,29-26-,37-34-/t58-/m0/s1",MJAVVKUVPSLGBA,DVSXGRPGSA,N,TG(18:0/20:3n6/20:1(11Z)),MJAVVKUVPSLGBA-DVSXGRPGSA-N
HMDB45163,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33-34,36-37,42,45,58H,4-16,18-19,21-24,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b20-17-,28-25-,29-26-,36-33-,37-34-,45-42-/t58-/m0/s1",BNQFRXSGEINTSL,ZVGRIXKOSA,N,"TG(18:0/20:3n6/20:3(5Z,8Z,11Z))",BNQFRXSGEINTSL-ZVGRIXKOSA-N
HMDB45164,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,60H,4-16,18-19,21-24,27,30-35,37-38,40-59H2,1-3H3/b20-17-,28-25-,29-26-,39-36-/t60-/m0/s1",MJEBHXWSLTWPCM,CNJKKVNMSA,N,TG(18:0/20:3n6/22:1(13Z)),MJEBHXWSLTWPCM-CNJKKVNMSA-N
HMDB45165,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,62H,4-16,18-19,21-24,27,30-37,39-40,42-61H2,1-3H3/b20-17-,28-25-,29-26-,41-38-/t62-/m0/s1",CMIFJSQUCNWYJO,YAISJQIOSA,N,TG(18:0/20:3n6/24:1(15Z)),CMIFJSQUCNWYJO-YAISJQIOSA-N
HMDB45166,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30,32,35,56H,4-15,18,21-24,27,29,31,33-34,36-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,35-32-/t56-/m1/s1",SOAMDNCYRRIVLA,XVQRILSFSA,N,"TG(18:0/20:3n6/18:2(9Z,12Z))",SOAMDNCYRRIVLA-XVQRILSFSA-N
HMDB45167,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30,32,35-36,39,56H,4-15,18,21-24,27,29,31,33-34,37-38,40-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,35-32-,39-36-/t56-/m1/s1",RAQFSKSFBRYZRM,SYFOARESSA,N,"TG(18:0/20:3n6/18:3(6Z,9Z,12Z))",RAQFSKSFBRYZRM-SYFOARESSA-N
HMDB45168,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,58H,4-15,18,21-24,27,30-33,35-36,38-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-/t58-/m0/s1",GWGSTOOYADXOSX,YAUJTWQNSA,N,TG(18:0/20:3n6/20:2n6),GWGSTOOYADXOSX-YAUJTWQNSA-N
HMDB45169,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,58H,4-15,18,21-24,27,30-32,35,38-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-/t58-/m0/s1",UWCXLDFMVHNXHG,IYYSFBIFSA,N,TG(18:0/20:3n6/20:3n6),UWCXLDFMVHNXHG-IYYSFBIFSA-N
HMDB45170,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42,45,58H,4-15,18,21-24,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-/t58-/m0/s1",VDNRPHBXALKZTG,OIRKGWSASA,N,"TG(18:0/20:3n6/20:4(5Z,8Z,11Z,14Z))",VDNRPHBXALKZTG-OIRKGWSASA-N
HMDB45171,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,36,39,60H,4-15,18,21-24,27,30-35,37-38,40-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-/t60-/m0/s1",MEIGPYFQXNHGCJ,QJEOPGCOSA,N,"TG(18:0/20:3n6/22:2(13Z,16Z))",MEIGPYFQXNHGCJ-QJEOPGCOSA-N
HMDB45172,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,36,38-39,41,60H,4-15,18,21-24,27,30,32,34-35,37,40,42-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-/t60-/m0/s1",DNENGIXHFHBVEV,WTTXQOEFSA,N,"TG(18:0/20:3n6/22:4(7Z,10Z,13Z,16Z))",DNENGIXHFHBVEV-WTTXQOEFSA-N
HMDB45173,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,36,38-39,41,47,50,60H,4-15,18,21-24,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-/t60-/m0/s1",LQGJLTQDXJLJGB,RQCTUJEGSA,N,"TG(18:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",LQGJLTQDXJLJGB-RQCTUJEGSA-N
HMDB45174,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30,32,35,56H,4-7,9-10,12-15,18,21-24,27,29,31,33-34,36-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,35-32-/t56-/m1/s1",MQGSJIQBZKILDD,RYLOVQBTSA,N,"TG(18:0/20:3n6/18:3(9Z,12Z,15Z))",MQGSJIQBZKILDD-RYLOVQBTSA-N
HMDB45175,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30,32,35-36,39,56H,4-7,9-10,12-15,18,21-24,27,29,31,33-34,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,35-32-,39-36-/t56-/m1/s1",RURZQTUBMVSKFL,WOIYKMIDSA,N,"TG(18:0/20:3n6/18:4(6Z,9Z,12Z,15Z))",RURZQTUBMVSKFL-WOIYKMIDSA-N
HMDB45176,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,58H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-/t58-/m0/s1",JYGORNFWMWWXKZ,YUYICFLXSA,N,"TG(18:0/20:3n6/20:4(8Z,11Z,14Z,17Z))",JYGORNFWMWWXKZ-YUYICFLXSA-N
HMDB45177,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42,45,58H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-/t58-/m0/s1",XIUCBTKAXFPAJR,YALZKUCJSA,N,"TG(18:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",XIUCBTKAXFPAJR-YALZKUCJSA-N
HMDB45178,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,36,38-39,41,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-35,37,40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-/t60-/m0/s1",CGTDWZHIXKXGNM,RGJOZCBESA,N,"TG(18:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",CGTDWZHIXKXGNM-RGJOZCBESA-N
HMDB45179,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,36,38-39,41,47,50,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-/t60-/m0/s1",KWKOUCDAAANDPY,PRKOOHHZSA,N,"TG(18:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KWKOUCDAAANDPY-PRKOOHHZSA-N
HMDB45180,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,57H,4-15,17-18,20-24,26-27,29-31,33-34,36-56H2,1-3H3/b19-16-,28-25-,35-32-/t57-/m1/s1",PGGVLKSPEDIGRW,YZCVFSJTSA,N,TG(18:0/20:3n6/o-18:0),PGGVLKSPEDIGRW-YZCVFSJTSA-N
HMDB45181,910.798941124,C59H106O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,41,44,56H,4-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,28-25-,35-32-,44-41-",GVUAEDMAGCSTRW,BJXRAQSQSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:0)",GVUAEDMAGCSTRW-BJXRAQSQSA-N
HMDB45182,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,43,46,58H,4-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,29-26-,37-34-,46-43-/t58-/m0/s1",PCXVFXRDXMNRHE,PYRCLQTDSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:0)",PCXVFXRDXMNRHE-PYRCLQTDSA-N
HMDB45183,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,60H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,29-26-,39-36-,48-45-/t60-/m0/s1",VLOCCOVTRWLMEU,ZTPDLCGESA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:0)",VLOCCOVTRWLMEU-ZTPDLCGESA-N
HMDB45184,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,47,50,62H,4-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,29-26-,41-38-,50-47-/t62-/m0/s1",HEDZLZFLMCEGPI,XPCOHMNFSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/24:0)",HEDZLZFLMCEGPI-XPCOHMNFSA-N
HMDB45185,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,37,40,52H,4-14,17,20-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,40-37-/t52-/m1/s1",STRGYEHUWWQWTA,LSNMNOJMSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))",STRGYEHUWWQWTA-LSNMNOJMSA-N
HMDB45186,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,39,42,54H,4-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b19-16-,24-21-,27-25-,33-30-,42-39-/t54-/m1/s1",UOLSYLSXKGOQQK,VRBYCHNISA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",UOLSYLSXKGOQQK-VRBYCHNISA-N
HMDB45187,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,28,32,35,41,44,56H,4-15,17-18,21-22,24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,23-20-,28-25-,35-32-,44-41-/t56-/m1/s1",NPDMTYDFGTZLCP,HZSQKRGPSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",NPDMTYDFGTZLCP-HZSQKRGPSA-N
HMDB45188,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25-26,28,30,32,35,41,44,56H,4-15,17-18,20-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",XUUHPWSOYFOVQP,VNLVJDMBSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",XUUHPWSOYFOVQP-VNLVJDMBSA-N
HMDB45189,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,43,46,58H,4-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,46-43-/t58-/m0/s1",NQJJALKPMKPHIP,PMRMWFLFSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",NQJJALKPMKPHIP-PMRMWFLFSA-N
HMDB45190,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-16,18-19,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",CHTYSJCJWQKMEQ,PNQAUJADSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",CHTYSJCJWQKMEQ-PNQAUJADSA-N
HMDB45191,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,45,48,60H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1",RXSFIMVOIADAFE,VFUVEHBSSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",RXSFIMVOIADAFE-VFUVEHBSSA-N
HMDB45192,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,47,50,62H,4-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,28-25-,29-26-,41-38-,50-47-/t62-/m0/s1",VGZRDUFXUMKEAK,RGKGSJLYSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",VGZRDUFXUMKEAK-RGKGSJLYSA-N
HMDB45193,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30,32,35,41,44,56H,4-15,18,21-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",IKEJSWWLPDOBIY,RPAKWLGCSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",IKEJSWWLPDOBIY-RPAKWLGCSA-N
HMDB45194,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30,32,35-36,39,41,44,56H,4-15,18,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1",LOBLICLXCAKKLO,UZCXDOEKSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",LOBLICLXCAKKLO-UZCXDOEKSA-N
HMDB45195,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,43,46,58H,4-15,18,21-24,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,46-43-/t58-/m0/s1",GOPAUDMLVFNMQM,UHKJHSJWSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)",GOPAUDMLVFNMQM-UHKJHSJWSA-N
HMDB45196,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,43,46,58H,4-15,18,21-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-/t58-/m0/s1",AZHDXLKBHQRTCE,RQHZFBHRSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)",AZHDXLKBHQRTCE-RQHZFBHRSA-N
HMDB45198,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,36,39,45,48,60H,4-15,18,21-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1",YJELIPRHDFZGTI,YDRLPFBYSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",YJELIPRHDFZGTI-YDRLPFBYSA-N
HMDB45199,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-15,18,21-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1",MBYYMZUVLLYROS,XFVWFZJZSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",MBYYMZUVLLYROS-XFVWFZJZSA-N
HMDB45200,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-15,18,21-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",VKCTUXDPTHSMPZ,NLYINHNWSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VKCTUXDPTHSMPZ-NLYINHNWSA-N
HMDB45201,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30,32,35,41,44,56H,4-7,9-10,12-15,18,21-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",GVDOEVXMWOXFIE,FUGXOKIPSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",GVDOEVXMWOXFIE-FUGXOKIPSA-N
HMDB45202,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30,32,35-36,39,41,44,56H,4-7,9-10,12-15,18,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1",PNZZPSUNJSTEOW,AEYAYIBJSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",PNZZPSUNJSTEOW-AEYAYIBJSA-N
HMDB45203,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,43,46,58H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-/t58-/m0/s1",VOBGEPXDLOSRAW,WEZOVHNBSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",VOBGEPXDLOSRAW-WEZOVHNBSA-N
HMDB45204,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",YOHVBUPHZSFBBK,AALUEXRZSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YOHVBUPHZSFBBK-AALUEXRZSA-N
HMDB45205,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1",VDTUMEBCKWSEJW,OFDFIMGJSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VDTUMEBCKWSEJW-OFDFIMGJSA-N
HMDB45206,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",KKJGCGBAFKPDGN,AXQNHMBDSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KKJGCGBAFKPDGN-AXQNHMBDSA-N
HMDB45207,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,41,44,57H,4-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b19-16-,28-25-,35-32-,44-41-/t57-/m1/s1",QAARJAMZKFSLIZ,JROJTDHCSA,N,"TG(18:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)",QAARJAMZKFSLIZ-JROJTDHCSA-N
HMDB45208,942.86154138,C61H114O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,58H,4-15,17-18,20-24,26-27,29-57H2,1-3H3/b19-16-,28-25-",QDDFZEYQURVBHO,LVBVOWIESA,N,"TG(18:0/22:2(13Z,16Z)/18:0)",QDDFZEYQURVBHO-LVBVOWIESA-N
HMDB45209,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,60H,4-15,17-18,20-24,26-27,29-59H2,1-3H3/b19-16-,28-25-/t60-/m0/s1",LPELEKIVSWFLKI,NUXSQISZSA,N,"TG(18:0/22:2(13Z,16Z)/20:0)",LPELEKIVSWFLKI-NUXSQISZSA-N
HMDB45210,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,62H,4-16,18-19,21-25,27-28,30-61H2,1-3H3/b20-17-,29-26-/t62-/m0/s1",VPYUGJTVYXJQDK,HYWLJCHLSA,N,"TG(18:0/22:2(13Z,16Z)/22:0)",VPYUGJTVYXJQDK-HYWLJCHLSA-N
HMDB45211,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,64H,4-16,18-19,21-25,27-28,30-63H2,1-3H3/b20-17-,29-26-/t64-/m0/s1",UICYFPKKJQESGX,DFNVNBPLSA,N,"TG(18:0/22:2(13Z,16Z)/24:0)",UICYFPKKJQESGX-DFNVNBPLSA-N
HMDB45212,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,54H,4-14,17,20-23,25,27-53H2,1-3H3/b18-15-,19-16-,26-24-/t54-/m1/s1",FWBKQSARGDXJLH,VZKMDISCSA,N,"TG(18:0/22:2(13Z,16Z)/14:1(9Z))",FWBKQSARGDXJLH-VZKMDISCSA-N
HMDB45213,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,56H,4-15,17-18,20,22-23,26,28-55H2,1-3H3/b19-16-,24-21-,27-25-/t56-/m1/s1",CDCMTHGAXGOQFQ,HQCAKVFGSA,N,"TG(18:0/22:2(13Z,16Z)/16:1(9Z))",CDCMTHGAXGOQFQ-HQCAKVFGSA-N
HMDB45214,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,28,58H,4-15,17-18,21-22,24,26-27,29-57H2,1-3H3/b19-16-,23-20-,28-25-/t58-/m1/s1",FTTKNOTUTROZKZ,UHSNCZLYSA,N,"TG(18:0/22:2(13Z,16Z)/18:1(11Z))",FTTKNOTUTROZKZ-UHSNCZLYSA-N
HMDB45215,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25-26,28,32,58H,4-15,17-18,20-24,27,29-31,33-57H2,1-3H3/b19-16-,28-25-,32-26-/t58-/m1/s1",QDZSNMGLSOCIKD,FWIVFOPYSA,N,"TG(18:0/22:2(13Z,16Z)/18:1(9Z))",QDZSNMGLSOCIKD-FWIVFOPYSA-N
HMDB45216,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,60H,4-15,17-18,20-24,27,30-59H2,1-3H3/b19-16-,28-25-,29-26-/t60-/m0/s1",CMYGJOFGWDPRGY,VOZBUZFHSA,N,"TG(18:0/22:2(13Z,16Z)/20:1(11Z))",CMYGJOFGWDPRGY-VOZBUZFHSA-N
HMDB45217,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,35,38,44,47,60H,4-15,17-18,20-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",IDAQDJPLYHWOKS,NHIUTETASA,N,"TG(18:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",IDAQDJPLYHWOKS-NHIUTETASA-N
HMDB45218,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,62H,4-16,18-19,21-24,27,30-61H2,1-3H3/b20-17-,28-25-,29-26-/t62-/m0/s1",GNQFRBVCIIJPCG,MZWRUBICSA,N,"TG(18:0/22:2(13Z,16Z)/22:1(13Z))",GNQFRBVCIIJPCG-MZWRUBICSA-N
HMDB45219,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,64H,4-16,18-19,21-24,27,30-63H2,1-3H3/b20-17-,28-25-,29-26-/t64-/m0/s1",MFGXKIIXZAVUNY,NTAWQKMZSA,N,"TG(18:0/22:2(13Z,16Z)/24:1(15Z))",MFGXKIIXZAVUNY-NTAWQKMZSA-N
HMDB45220,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,32,58H,4-15,18,21-24,27,29-31,33-57H2,1-3H3/b19-16-,20-17-,28-25-,32-26-/t58-/m1/s1",NMZIXCZQAKUEKO,QYODDPQFSA,N,"TG(18:0/22:2(13Z,16Z)/18:2(9Z,12Z))",NMZIXCZQAKUEKO-QYODDPQFSA-N
HMDB45221,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,32,38,41,58H,4-15,18,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b19-16-,20-17-,28-25-,32-26-,41-38-/t58-/m1/s1",LLGIXOVMEVCWKY,AXZDRCHISA,N,"TG(18:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",LLGIXOVMEVCWKY-AXZDRCHISA-N
HMDB45222,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,60H,4-15,18,21-24,27,30-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-/t60-/m0/s1",KWEJHHHDBVLFPL,OGRIISAJSA,N,"TG(18:0/22:2(13Z,16Z)/20:2n6)",KWEJHHHDBVLFPL-OGRIISAJSA-N
HMDB45223,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,38,60H,4-15,18,21-24,27,30-34,36-37,39-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,38-35-/t60-/m0/s1",LUUMBKHGQRFUNQ,USJUBNGZSA,N,"TG(18:0/22:2(13Z,16Z)/20:3n6)",LUUMBKHGQRFUNQ-USJUBNGZSA-N
HMDB45224,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,38,44,47,60H,4-15,18,21-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",HCLNENGBRCSTJE,XCHDHFLKSA,N,"TG(18:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",HCLNENGBRCSTJE-XCHDHFLKSA-N
HMDB45225,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,62H,4-15,18,21-24,27,30-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-/t62-/m0/s1",SZAVROSJLMAKHV,GJQVWGOQSA,N,"TG(18:0/22:2(13Z,16Z)/22:2(13Z,16Z))",SZAVROSJLMAKHV-GJQVWGOQSA-N
HMDB45226,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,40,43,62H,4-15,18,21-24,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,43-40-/t62-/m0/s1",DTCIATZWDMQARA,DOTTZPKKSA,N,"TG(18:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",DTCIATZWDMQARA-DOTTZPKKSA-N
HMDB45227,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,40,43,49,52,62H,4-15,18,21-24,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,43-40-,52-49-/t62-/m0/s1",JWNAAACLZMDEOY,JIYKCVRASA,N,"TG(18:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JWNAAACLZMDEOY-JIYKCVRASA-N
HMDB45228,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,32,58H,4-7,9-10,12-15,18,21-24,27,29-31,33-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-/t58-/m1/s1",DSVQGXBYVMXUQD,VDEDKUQKSA,N,"TG(18:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",DSVQGXBYVMXUQD-VDEDKUQKSA-N
HMDB45229,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,32,38,41,58H,4-7,9-10,12-15,18,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,41-38-/t58-/m1/s1",OYGFLNNMDXULLE,DOHJQNJCSA,N,"TG(18:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",OYGFLNNMDXULLE-DOHJQNJCSA-N
HMDB45230,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,38,60H,4-7,9-10,12-15,18,21-24,27,30-34,36-37,39-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,38-35-/t60-/m0/s1",FSLGMQVJEHZUPJ,AUPDOVKISA,N,"TG(18:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",FSLGMQVJEHZUPJ-AUPDOVKISA-N
HMDB45231,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,38,44,47,60H,4-7,9-10,12-15,18,21-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",IEPWCOPIWVISKW,QHKMUIETSA,N,"TG(18:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IEPWCOPIWVISKW-QHKMUIETSA-N
HMDB45232,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,40,43,62H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,43-40-/t62-/m0/s1",JFGGXRLKPRFCAW,GSSAVQIBSA,N,"TG(18:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JFGGXRLKPRFCAW-GSSAVQIBSA-N
HMDB45233,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,40,43,49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,43-40-,52-49-/t62-/m0/s1",NLJZNKBSOHSFSH,MSLDGCPASA,N,"TG(18:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NLJZNKBSOHSFSH-MSLDGCPASA-N
HMDB45234,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,59H,4-15,17-18,20-24,26-27,29-58H2,1-3H3/b19-16-,28-25-/t59-/m1/s1",QGNLJGRXJOVVCH,UWVPRLFQSA,N,"TG(18:0/22:2(13Z,16Z)/o-18:0)",QGNLJGRXJOVVCH-UWVPRLFQSA-N
HMDB45235,938.830241252,C61H110O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,30-31,37,40,58H,4-15,17-18,20-24,26-27,29,32-36,38-39,41-57H2,1-3H3/b19-16-,28-25-,31-30-,40-37-",WWQOKYMMBUGAPO,CXWWEHRMSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:0)",WWQOKYMMBUGAPO-CXWWEHRMSA-N
HMDB45236,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,39,42,60H,4-15,17-18,20-24,26-27,29-30,32,34-38,40-41,43-59H2,1-3H3/b19-16-,28-25-,33-31-,42-39-/t60-/m0/s1",YFYCCMUWMOKMGJ,LQAARTKHSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:0)",YFYCCMUWMOKMGJ-LQAARTKHSA-N
HMDB45237,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,33,35,41,44,62H,4-16,18-19,21-25,27-28,30-32,34,36-40,42-43,45-61H2,1-3H3/b20-17-,29-26-,35-33-,44-41-/t62-/m0/s1",AQRBLMKUOASCNC,WUTUSCRISA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:0)",AQRBLMKUOASCNC-WUTUSCRISA-N
HMDB45238,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,43,46,64H,4-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,29-26-,37-34-,46-43-/t64-/m0/s1",VDPSXJGEMDUJFM,QEIJHOGNSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/24:0)",VDPSXJGEMDUJFM-QEIJHOGNSA-N
HMDB45239,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,28-29,33,36,54H,4-14,17,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,36-33-/t54-/m1/s1",UWNCWDLVLHBCRO,IVXNCYSKSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))",UWNCWDLVLHBCRO-IVXNCYSKSA-N
HMDB45240,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,35,38,56H,4-15,17-18,20,22-23,26,28,31-34,36-37,39-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,38-35-/t56-/m1/s1",FXSQFRDXLSZOTP,PUEVGCLLSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))",FXSQFRDXLSZOTP-PUEVGCLLSA-N
HMDB45241,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,28,30-31,37,40,58H,4-15,17-18,21-22,24,26-27,29,32-36,38-39,41-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,40-37-/t58-/m1/s1",VDVUCAWDEFSNLQ,AZOCRPTCSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))",VDVUCAWDEFSNLQ-AZOCRPTCSA-N
HMDB45242,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25-26,28,30-32,37,40,58H,4-15,17-18,20-24,27,29,33-36,38-39,41-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,40-37-/t58-/m1/s1",RFPKHICSFSCNTA,DQQMONETSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",RFPKHICSFSCNTA-DQQMONETSA-N
HMDB45243,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,39,42,60H,4-15,17-18,20-24,27,30,32,34-38,40-41,43-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,42-39-/t60-/m0/s1",GTTMZICIVQUFGN,KWAHJTBNSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",GTTMZICIVQUFGN-KWAHJTBNSA-N
HMDB45244,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-15,17-18,20-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",UKBXDUZMIHROTA,QSYHSVTDSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",UKBXDUZMIHROTA-QSYHSVTDSA-N
HMDB45245,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33,35,41,44,62H,4-16,18-19,21-24,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b20-17-,28-25-,29-26-,35-33-,44-41-/t62-/m0/s1",SHOLNJPLFVOSQJ,RSNBQNDXSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",SHOLNJPLFVOSQJ-RSNBQNDXSA-N
HMDB45246,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,43,46,64H,4-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,46-43-/t64-/m0/s1",UBNZYWZEZBSGFJ,DMJSVOEQSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",UBNZYWZEZBSGFJ-DMJSVOEQSA-N
HMDB45247,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30-32,37,40,58H,4-15,18,21-24,27,29,33-36,38-39,41-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,40-37-/t58-/m1/s1",JDHLFDBROQEURN,GWSYHMQGSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",JDHLFDBROQEURN-GWSYHMQGSA-N
HMDB45248,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30-32,37-38,40-41,58H,4-15,18,21-24,27,29,33-36,39,42-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-/t58-/m1/s1",UOOWIFDRWZSDKN,BSBRHFIUSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",UOOWIFDRWZSDKN-BSBRHFIUSA-N
HMDB45249,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,39,42,60H,4-15,18,21-24,27,30,32,34-38,40-41,43-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,42-39-/t60-/m0/s1",DHFHFDYQWHOMJO,CSOAMPEQSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)",DHFHFDYQWHOMJO-CSOAMPEQSA-N
HMDB45250,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,38-39,42,60H,4-15,18,21-24,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-/t60-/m0/s1",GKSUJJREXUGRDZ,WQXMBQFXSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)",GKSUJJREXUGRDZ-WQXMBQFXSA-N
HMDB45251,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",QEBZICHWOFBWMS,BXBPZLISSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",QEBZICHWOFBWMS-BXBPZLISSA-N
HMDB45252,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,41,44,62H,4-15,18,21-24,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,44-41-/t62-/m0/s1",GJMOUCDATPQNBT,IRSCKONGSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",GJMOUCDATPQNBT-IRSCKONGSA-N
HMDB45253,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,40-41,43-44,62H,4-15,18,21-24,27,30-31,36-39,42,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-/t62-/m0/s1",XYAPSDRMWACUAY,YKVWAEMXSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",XYAPSDRMWACUAY-YKVWAEMXSA-N
HMDB45254,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,40-41,43-44,49,52,62H,4-15,18,21-24,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-/t62-/m0/s1",OBXFARNQGJRBLE,TXMRXWAJSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OBXFARNQGJRBLE-TXMRXWAJSA-N
HMDB45255,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30-32,37,40,58H,4-7,9-10,12-15,18,21-24,27,29,33-36,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-/t58-/m1/s1",WWDLCJFVNHHQMJ,LRFHUWTKSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",WWDLCJFVNHHQMJ-LRFHUWTKSA-N
HMDB45256,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30-32,37-38,40-41,58H,4-7,9-10,12-15,18,21-24,27,29,33-36,39,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-/t58-/m1/s1",ZWOKJVVJTGIHLJ,ODOBVVBISA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",ZWOKJVVJTGIHLJ-ODOBVVBISA-N
HMDB45257,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-/t60-/m0/s1",ZFXYDOMFBWQZNA,OEPLPROGSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",ZFXYDOMFBWQZNA-OEPLPROGSA-N
HMDB45258,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",PAKBTZYUUDHYDL,OZZJIWKISA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PAKBTZYUUDHYDL-OZZJIWKISA-N
HMDB45259,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,40-41,43-44,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-39,42,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-/t62-/m0/s1",VXVSFUVCPIVNNM,IFNADTIPSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VXVSFUVCPIVNNM-IFNADTIPSA-N
HMDB45260,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-/t62-/m0/s1",TUFYIUONPVDORJ,HLYVTMGTSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",TUFYIUONPVDORJ-HLYVTMGTSA-N
HMDB45261,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,37,40,59H,4-15,17-18,20-24,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b19-16-,28-25-,32-31-,40-37-/t59-/m1/s1",HLHOFQHIUQLVAE,RHNCSCFFSA,N,"TG(18:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)",HLHOFQHIUQLVAE-RHNCSCFFSA-N
HMDB45262,936.814591188,C61H108O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,30-31,37,40,46,49,58H,4-15,17-18,20-24,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,28-25-,31-30-,40-37-,49-46-",FIHAFIIPDXOBLI,JGWQGHCXSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",FIHAFIIPDXOBLI-JGWQGHCXSA-N
HMDB45263,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,39,42,48,51,60H,4-15,17-18,20-24,26-27,29-30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,28-25-,33-31-,42-39-,51-48-/t60-/m0/s1",MWJBYDLBNUIUKI,ZVKHHTNOSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0)",MWJBYDLBNUIUKI-ZVKHHTNOSA-N
HMDB45264,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,33,35,41,44,50,53,62H,4-16,18-19,21-25,27-28,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,29-26-,35-33-,44-41-,53-50-/t62-/m0/s1",VFTPXTMHINLVHW,KDACSJFDSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)",VFTPXTMHINLVHW-KDACSJFDSA-N
HMDB45265,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,43,46,52,55,64H,4-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",LQEPKGVXDNUAIP,MJTMMXNYSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)",LQEPKGVXDNUAIP-MJTMMXNYSA-N
HMDB45266,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,28-29,33,36,42,45,54H,4-14,17,20-23,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,36-33-,45-42-/t54-/m1/s1",JPHCJEIOSMJUSW,GQUQEUHCSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))",JPHCJEIOSMJUSW-GQUQEUHCSA-N
HMDB45267,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,35,38,44,47,56H,4-15,17-18,20,22-23,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,38-35-,47-44-/t56-/m1/s1",OTFLPUQCFUBOMR,FBVHKCBTSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",OTFLPUQCFUBOMR-FBVHKCBTSA-N
HMDB45268,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,28,30-31,37,40,46,49,58H,4-15,17-18,21-22,24,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,40-37-,49-46-/t58-/m1/s1",QEHBPOKNBBMXTD,PUKOEULSSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",QEHBPOKNBBMXTD-PUKOEULSSA-N
HMDB45269,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25-26,28,30-32,37,40,46,49,58H,4-15,17-18,20-24,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,40-37-,49-46-/t58-/m1/s1",MWEQAKGIFRBZMP,MWXZYCNHSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",MWEQAKGIFRBZMP-MWXZYCNHSA-N
HMDB45270,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,39,42,48,51,60H,4-15,17-18,20-24,27,30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,42-39-,51-48-/t60-/m0/s1",FOIBEFNGSFFBMC,WMWAADGMSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",FOIBEFNGSFFBMC-WMWAADGMSA-N
HMDB45271,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-15,17-18,20-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",JLSNFGORYGPKQA,XEZSGRQCSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",JLSNFGORYGPKQA-XEZSGRQCSA-N
HMDB45272,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33,35,41,44,50,53,62H,4-16,18-19,21-24,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,28-25-,29-26-,35-33-,44-41-,53-50-/t62-/m0/s1",OAIYQWZFZJDZRI,LMHSIINISA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",OAIYQWZFZJDZRI-LMHSIINISA-N
HMDB45273,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,43,46,52,55,64H,4-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",RCPPDJUTRLYMGB,NGMWMWJLSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",RCPPDJUTRLYMGB-NGMWMWJLSA-N
HMDB45274,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30-32,37,40,46,49,58H,4-15,18,21-24,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,49-46-/t58-/m1/s1",IPJKIXDBZWQXPO,DELNZPSZSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",IPJKIXDBZWQXPO-DELNZPSZSA-N
HMDB45275,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30-32,37-38,40-41,46,49,58H,4-15,18,21-24,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-/t58-/m1/s1",RLLIMDMQFXAYHU,VLKCYKIMSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",RLLIMDMQFXAYHU-VLKCYKIMSA-N
HMDB45276,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,39,42,48,51,60H,4-15,18,21-24,27,30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,42-39-,51-48-/t60-/m0/s1",SOFFEEJECULWQB,OZDWFFQXSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",SOFFEEJECULWQB-OZDWFFQXSA-N
HMDB45277,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,38-39,42,48,51,60H,4-15,18,21-24,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-/t60-/m0/s1",CDFAJARHNVKXPZ,AESULGNNSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",CDFAJARHNVKXPZ-AESULGNNSA-N
HMDB45278,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",WDAMDABFGGIOBB,NDXZBYJQSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",WDAMDABFGGIOBB-NDXZBYJQSA-N
HMDB45279,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,41,44,50,53,62H,4-15,18,21-24,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,44-41-,53-50-/t62-/m0/s1",QGTDFGUSSHGALC,BEBHDKEPSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",QGTDFGUSSHGALC-BEBHDKEPSA-N
HMDB45280,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,40-41,43-44,50,53,62H,4-15,18,21-24,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-/t62-/m0/s1",HOSWBTDRKORFLN,TUPUQZROSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",HOSWBTDRKORFLN-TUPUQZROSA-N
HMDB45281,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-15,18,21-24,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",OWASLPQUPIJNGD,UTTGZNETSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OWASLPQUPIJNGD-UTTGZNETSA-N
HMDB45282,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30-32,37,40,46,49,58H,4-7,9-10,12-15,18,21-24,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,49-46-/t58-/m1/s1",TULFIZUAMALUFU,GMSBWEJDSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",TULFIZUAMALUFU-GMSBWEJDSA-N
HMDB45283,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30-32,37-38,40-41,46,49,58H,4-7,9-10,12-15,18,21-24,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-/t58-/m1/s1",FBCOTGUYKCDAFQ,HUBRRUNTSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",FBCOTGUYKCDAFQ-HUBRRUNTSA-N
HMDB45284,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,48,51,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-/t60-/m0/s1",RBJAIGDUPAACLQ,QFBUTMHNSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",RBJAIGDUPAACLQ-QFBUTMHNSA-N
HMDB45285,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",OHFJEIHIIZLXHT,HVUXWFRBSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",OHFJEIHIIZLXHT-HVUXWFRBSA-N
HMDB45286,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,40-41,43-44,50,53,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-/t62-/m0/s1",WNWUYQQIEMJOFO,WCRZOILMSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WNWUYQQIEMJOFO-WCRZOILMSA-N
HMDB45287,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",FRFQSYRDVBGUBF,KTGBSMIYSA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FRFQSYRDVBGUBF-KTGBSMIYSA-N
HMDB45288,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,37,40,46,49,59H,4-15,17-18,20-24,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,28-25-,32-31-,40-37-,49-46-/t59-/m1/s1",QJPXANHRIIOKLE,BVRXXTNISA,N,"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",QJPXANHRIIOKLE-BVRXXTNISA-N
HMDB45289,884.78329106,C57H104O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,54H,4-8,10-11,13-17,19-20,22-26,28-29,31-53H2,1-3H3/b12-9-,21-18-,30-27-",YJHQECFFCOYQLS,YTMLWYSLSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/18:0)",YJHQECFFCOYQLS-YTMLWYSLSA-N
HMDB45290,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,31,56H,4-8,10-11,13-17,19-20,22-26,28-30,32-55H2,1-3H3/b12-9-,21-18-,31-27-/t56-/m0/s1",LRPIOHQFJKCDKW,OYNNRJQSSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/20:0)",LRPIOHQFJKCDKW-OYNNRJQSSA-N
HMDB45291,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,33,58H,4-8,10-11,13-17,19-20,22-26,28-32,34-57H2,1-3H3/b12-9-,21-18-,33-27-/t58-/m0/s1",VIGAYEURCPHMGZ,UDRAQAHNSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/22:0)",VIGAYEURCPHMGZ-UDRAQAHNSA-N
HMDB45292,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,35,60H,4-8,10-11,13-17,19-20,22-26,28-34,36-59H2,1-3H3/b12-9-,21-18-,35-27-/t60-/m0/s1",CCTFWKNIQDIFGW,BDPSZCGGSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/24:0)",CCTFWKNIQDIFGW-BDPSZCGGSA-N
HMDB45293,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,50H,4-7,9-10,12-14,16,19,21-24,26,28-49H2,1-3H3/b11-8-,18-15-,20-17-,27-25-/t50-/m1/s1",GFEFEYHIYFMLFN,GQMBHPEASA,N,"TG(18:0/18:3(9Z,12Z,15Z)/14:1(9Z))",GFEFEYHIYFMLFN-GQMBHPEASA-N
HMDB45294,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,52H,4-7,9-10,12-16,18-19,22-23,25,27,29-51H2,1-3H3/b11-8-,20-17-,24-21-,28-26-/t52-/m1/s1",QVXWMUHGQYTGID,YCBMZZLXSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/16:1(9Z))",QVXWMUHGQYTGID-YCBMZZLXSA-N
HMDB45295,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,27,30,54H,4-8,10-11,13-17,20,23-26,28-29,31-53H2,1-3H3/b12-9-,21-18-,22-19-,30-27-/t54-/m1/s1",HIOAMCRVNLXZQC,CTRCWUJRSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/18:1(11Z))",HIOAMCRVNLXZQC-CTRCWUJRSA-N
HMDB45296,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,54H,4-8,10-11,13-17,19-20,22-24,26,29,31-53H2,1-3H3/b12-9-,21-18-,28-25-,30-27-/t54-/m1/s1",APUGAHTVBGXVKV,MRUQREPFSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/18:1(9Z))",APUGAHTVBGXVKV-MRUQREPFSA-N
HMDB45297,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,31,56H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-55H2,1-3H3/b12-9-,21-18-,28-25-,31-27-/t56-/m0/s1",WKEGTIQTDSYQGQ,CWULPPJSSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/20:1(11Z))",WKEGTIQTDSYQGQ-CWULPPJSSA-N
HMDB45298,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,31-32,34,40,43,56H,4-8,10-11,13-17,19-20,22-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",LHVXCIOFMHIPAG,GKYVIKRXSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",LHVXCIOFMHIPAG-GKYVIKRXSA-N
HMDB45299,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,33,58H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-57H2,1-3H3/b12-9-,21-18-,28-25-,33-27-/t58-/m0/s1",JYQPRHZKULXQCI,MAWJDQTHSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/22:1(13Z))",JYQPRHZKULXQCI-MAWJDQTHSA-N
HMDB45300,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,35,60H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-59H2,1-3H3/b12-9-,21-18-,28-25-,35-27-/t60-/m0/s1",JYQSHOWOAIDEJS,PEPBPGFISA,N,"TG(18:0/18:3(9Z,12Z,15Z)/24:1(15Z))",JYQSHOWOAIDEJS-PEPBPGFISA-N
HMDB45301,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,54H,4-8,10-11,13-15,17,20,22-24,26,29,31-53H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-/t54-/m1/s1",NYFNHSSPUMHKRM,ANIFFHRWSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",NYFNHSSPUMHKRM-ANIFFHRWSA-N
HMDB45302,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,37,54H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35-36,38-53H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-/t54-/m1/s1",DENAKOGHOPHBKU,PZNOMUAESA,N,"TG(18:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",DENAKOGHOPHBKU-PZNOMUAESA-N
HMDB45303,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,56H,4-8,10-11,13-15,17,20,22-24,26,29-30,32-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-/t56-/m0/s1",JESZJTCJLJORHV,SDQCIGLSSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/20:2n6)",JESZJTCJLJORHV-SDQCIGLSSA-N
HMDB45304,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31-32,34,56H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-/t56-/m0/s1",BLUDAFKQGMJGEC,FYTZIZRASA,N,"TG(18:0/18:3(9Z,12Z,15Z)/20:3n6)",BLUDAFKQGMJGEC-FYTZIZRASA-N
HMDB45305,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31-32,34,40,43,56H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",UPHWIYYEDWLCRP,ZNZNULDASA,N,"TG(18:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",UPHWIYYEDWLCRP-ZNZNULDASA-N
HMDB45306,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,33,58H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-/t58-/m0/s1",WVMFDMGWWPECTJ,FOCGQDJTSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",WVMFDMGWWPECTJ-FOCGQDJTSA-N
HMDB45307,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30-31,33,36,39,58H,4-8,10-11,13-15,17,20,22-24,26,29,32,34-35,37-38,40-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-/t58-/m0/s1",VNEIMKIXPPBXAI,BGHATOEOSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",VNEIMKIXPPBXAI-BGHATOEOSA-N
HMDB45308,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30-31,33,36,39,45,48,58H,4-8,10-11,13-15,17,20,22-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1",XYKSJRPQOCHDGE,DAVRDJQWSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XYKSJRPQOCHDGE-DAVRDJQWSA-N
HMDB45309,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,54H,4-6,8,11,13-15,17,20,22-24,26,29,31-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-/t54-/m1/s1",DKDIPDJHNARQPL,DWVOMCLWSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",DKDIPDJHNARQPL-DWVOMCLWSA-N
HMDB45310,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,37,54H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35-36,38-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-/t54-/m1/s1",VECCFXPBXBTTJG,ZMXJDZOASA,N,"TG(18:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",VECCFXPBXBTTJG-ZMXJDZOASA-N
HMDB45311,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31-32,34,56H,4-6,8,11,13-15,17,20,22-24,26,29-30,33,35-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,34-32-/t56-/m0/s1",KKBQZJOVAFBAHR,PPNGEORRSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",KKBQZJOVAFBAHR-PPNGEORRSA-N
HMDB45312,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31-32,34,40,43,56H,4-6,8,11,13-15,17,20,22-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",CTNOQNVDZAIOEB,PGYQIKPVSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CTNOQNVDZAIOEB-PGYQIKPVSA-N
HMDB45313,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30-31,33,36,39,58H,4-6,8,11,13-15,17,20,22-24,26,29,32,34-35,37-38,40-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-/t58-/m0/s1",IUGWOHXYNNWVHG,JASFTTOOSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IUGWOHXYNNWVHG-JASFTTOOSA-N
HMDB45314,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30-31,33,36,39,45,48,58H,4-6,8,11,13-15,17,20,22-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1",YVCADWIAGVTESQ,QEBLJQPTSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YVCADWIAGVTESQ-QEBLJQPTSA-N
HMDB45315,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,55H,4-8,10-11,13-17,19-20,22-26,28-29,31-54H2,1-3H3/b12-9-,21-18-,30-27-/t55-/m1/s1",YZSJMIBWBNKODT,AAHAZSIPSA,N,"TG(18:0/18:3(9Z,12Z,15Z)/o-18:0)",YZSJMIBWBNKODT-AAHAZSIPSA-N
HMDB45316,882.767640996,C57H102O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,54H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,30-27-,39-36-",DJYNSHLHLLYWLD,QWZXXBLSSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:0)",DJYNSHLHLLYWLD-QWZXXBLSSA-N
HMDB45317,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,31,38,41,56H,4-8,10-11,13-17,19-20,22-26,28-30,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,31-27-,41-38-/t56-/m0/s1",SNOKFODHARFQOU,LKYSKGMVSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:0)",SNOKFODHARFQOU-LKYSKGMVSA-N
HMDB45318,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,33,40,43,58H,4-8,10-11,13-17,19-20,22-26,28-32,34-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,33-27-,43-40-/t58-/m0/s1",DQHAGOJZQAKIDI,BAZNXKAYSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:0)",DQHAGOJZQAKIDI-BAZNXKAYSA-N
HMDB45319,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,35,42,45,60H,4-8,10-11,13-17,19-20,22-26,28-34,36-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,35-27-,45-42-/t60-/m0/s1",NIUHSZFZGDYMCJ,PFBNTUQISA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/24:0)",NIUHSZFZGDYMCJ-PFBNTUQISA-N
HMDB45320,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,35,50H,4-7,9-10,12-14,16,19,21-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-32-/t50-/m1/s1",JQHRKGZDQDZNGS,MJXHVHRSSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))",JQHRKGZDQDZNGS-MJXHVHRSSA-N
HMDB45321,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,34,37,52H,4-7,9-10,12-16,18-19,22-23,25,27,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,37-34-/t52-/m1/s1",ASJHAVAPNBVXQH,PXMRWORUSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))",ASJHAVAPNBVXQH-PXMRWORUSA-N
HMDB45322,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,27,30,36,39,54H,4-8,10-11,13-17,20,23-26,28-29,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,22-19-,30-27-,39-36-/t54-/m1/s1",VCXOXNIREQFVQW,NYUCNPOMSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))",VCXOXNIREQFVQW-NYUCNPOMSA-N
HMDB45323,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,36,39,54H,4-8,10-11,13-17,19-20,22-24,26,29,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,39-36-/t54-/m1/s1",YIJBKAITYUJKQL,LDXVSRRQSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))",YIJBKAITYUJKQL-LDXVSRRQSA-N
HMDB45324,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,31,38,41,56H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,41-38-/t56-/m0/s1",XCQULHHCFJXSBA,GZTDRBFJSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))",XCQULHHCFJXSBA-GZTDRBFJSA-N
HMDB45325,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,31-32,34,38,40-41,43,56H,4-8,10-11,13-17,19-20,22-24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",IDSLNYSHMFDDIN,BHKKRYNASA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",IDSLNYSHMFDDIN-BHKKRYNASA-N
HMDB45326,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,33,40,43,58H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,28-25-,33-27-,43-40-/t58-/m0/s1",PFVOIJPLYQCDGY,PUPINIMESA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",PFVOIJPLYQCDGY-PUPINIMESA-N
HMDB45327,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,35,42,45,60H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,28-25-,35-27-,45-42-/t60-/m0/s1",UGSOYIWJZWSYGO,IFGLFFKQSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",UGSOYIWJZWSYGO-IFGLFFKQSA-N
HMDB45328,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,36,39,54H,4-8,10-11,13-15,17,20,22-24,26,29,31-35,37-38,40-53H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,39-36-/t54-/m1/s1",LLWFEUCRSWJINN,VMPZMBBCSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",LLWFEUCRSWJINN-VMPZMBBCSA-N
HMDB45329,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,54H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-53H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-/t54-/m1/s1",KJLAFXPRCAVGQG,YUBPUIQGSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",KJLAFXPRCAVGQG-YUBPUIQGSA-N
HMDB45330,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,38,41,56H,4-8,10-11,13-15,17,20,22-24,26,29-30,32-37,39-40,42-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,41-38-/t56-/m0/s1",NXJJDBZGHIYKEZ,AHMPWZEQSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)",NXJJDBZGHIYKEZ-AHMPWZEQSA-N
HMDB45331,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31-32,34,38,41,56H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-/t56-/m0/s1",QYKUQPGUAMRUPD,GTZGMEFRSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)",QYKUQPGUAMRUPD-GTZGMEFRSA-N
HMDB45332,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31-32,34,38,40-41,43,56H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",AHWAGIFKNHGNAD,FLINKCNLSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",AHWAGIFKNHGNAD-FLINKCNLSA-N
HMDB45333,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,33,40,43,58H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-,43-40-/t58-/m0/s1",COLIQWCOEJJPFZ,KTRDRBNBSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",COLIQWCOEJJPFZ-KTRDRBNBSA-N
HMDB45334,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30-31,33,36,39-40,43,58H,4-8,10-11,13-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-/t58-/m0/s1",FAKRNPUGMUWROH,FQJLCVDJSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",FAKRNPUGMUWROH-FQJLCVDJSA-N
HMDB45335,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-8,10-11,13-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-/t58-/m0/s1",BVAKWGUCVDDXJP,KPQMSVCLSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BVAKWGUCVDDXJP-KPQMSVCLSA-N
HMDB45336,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,36,39,54H,4-6,8,11,13-15,17,20,22-24,26,29,31-35,37-38,40-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,39-36-/t54-/m1/s1",KICKEIDRPDVMPO,RYTITPJKSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",KICKEIDRPDVMPO-RYTITPJKSA-N
HMDB45337,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,54H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-/t54-/m1/s1",XGBQOXOOSHVAEQ,VTRGBROKSA,N,"TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",XGBQOXOOSHVAEQ-VTRGBROKSA-N
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HMDB45347,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,52H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-/t52-/m1/s1",XTHHRTVNJZAGND,SSDOXADPSA,N,"TG(18:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))",XTHHRTVNJZAGND-SSDOXADPSA-N
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HMDB45349,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,28,32,35,56H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-31,33-34,36-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,35-32-/t56-/m1/s1",GSHOKARENMACLI,NTBCRRTGSA,N,"TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",GSHOKARENMACLI-NTBCRRTGSA-N
HMDB45350,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,30,32,35,56H,4-6,8-9,11-15,17-18,20-24,27,29,31,33-34,36-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,35-32-/t56-/m1/s1",QLVOCJQPELDCPM,YSNGKYGCSA,N,"TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",QLVOCJQPELDCPM-YSNGKYGCSA-N
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HMDB45367,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,60H,4-6,9,12-15,18,21-24,27,30,32,34-35,37,40,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-/t60-/m0/s1",VGDHPALBZNZOAN,JMTVFVGRSA,N,"TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VGDHPALBZNZOAN-JMTVFVGRSA-N
HMDB45368,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,47,50,60H,4-6,9,12-15,18,21-24,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-/t60-/m0/s1",RXVLBDOYHGQIHF,SWXKNVJDSA,N,"TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RXVLBDOYHGQIHF-SWXKNVJDSA-N
HMDB45369,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,57H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-56H2,1-3H3/b10-7-,19-16-,28-25-,35-32-/t57-/m1/s1",IYAABZBODILRNP,IRPJHXNGSA,N,"TG(18:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)",IYAABZBODILRNP-IRPJHXNGSA-N
HMDB45370,908.78329106,C59H104O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,41,44,56H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,44-41-",CBXJYBYDCKGVBG,DAWAMIFUSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)",CBXJYBYDCKGVBG-DAWAMIFUSA-N
HMDB45371,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-/t58-/m0/s1",CPMFUOSTULJYEX,FMTFOWKVSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)",CPMFUOSTULJYEX-FMTFOWKVSA-N
HMDB45372,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-/t60-/m0/s1",UGESMJAODJVYKL,QJOGIDDNSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)",UGESMJAODJVYKL-QJOGIDDNSA-N
HMDB45373,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,47,50,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,29-26-,41-38-,50-47-/t62-/m0/s1",LJYUFVMVKFWCOH,XMJRFMMJSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)",LJYUFVMVKFWCOH-XMJRFMMJSA-N
HMDB45374,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,37,40,52H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,40-37-/t52-/m1/s1",XOOXPSSORROWCK,UEPNLPANSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))",XOOXPSSORROWCK-UEPNLPANSA-N
HMDB45375,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,39,42,54H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-,42-39-/t54-/m1/s1",HBLZGLOWRFIWPH,FNQVWKFISA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))",HBLZGLOWRFIWPH-FNQVWKFISA-N
HMDB45376,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,28,32,35,41,44,56H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,35-32-,44-41-/t56-/m1/s1",IGPFTPMOUMDZDZ,UKNJWEQYSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))",IGPFTPMOUMDZDZ-UKNJWEQYSA-N
HMDB45377,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,30,32,35,41,44,56H,4-6,8-9,11-15,17-18,20-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",HTGSEDJDBCIIQG,PNHRGOKASA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",HTGSEDJDBCIIQG-PNHRGOKASA-N
HMDB45378,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,46-43-/t58-/m0/s1",LEWMFWVGPOYUKR,YANBNORZSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",LEWMFWVGPOYUKR-YANBNORZSA-N
HMDB45379,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-7,9-10,12-16,18-19,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",BVDUVNWZTUFLNP,YJGCNPLASA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",BVDUVNWZTUFLNP-YJGCNPLASA-N
HMDB45380,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1",BHSZPPTYGRFCSI,AWMQCPORSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",BHSZPPTYGRFCSI-AWMQCPORSA-N
HMDB45381,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,38,41,47,50,62H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-,50-47-/t62-/m0/s1",BVFYVUJAEPKZBY,UMTSYVQBSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",BVFYVUJAEPKZBY-UMTSYVQBSA-N
HMDB45382,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28,30,32,35,41,44,56H,4-6,8-9,11-15,18,21-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",OFSBFPQAEURFJH,VLJGZMSJSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",OFSBFPQAEURFJH-VLJGZMSJSA-N
HMDB45383,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28,30,32,35-36,39,41,44,56H,4-6,8-9,11-15,18,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1",ZSSJRGKOEALYAD,FBJHZHANSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",ZSSJRGKOEALYAD-FBJHZHANSA-N
HMDB45384,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,34,37,43,46,58H,4-7,9-10,12-15,18,21-24,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,46-43-/t58-/m0/s1",AYGFPIVEJFNSJX,ORDTXPIOSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",AYGFPIVEJFNSJX-ORDTXPIOSA-N
HMDB45385,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,43,46,58H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-/t58-/m0/s1",KRXICYZIHUDVOY,WZLWNNLESA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",KRXICYZIHUDVOY-WZLWNNLESA-N
HMDB45386,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",LLIDHMUJCPONKD,CATGKLNBSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",LLIDHMUJCPONKD-CATGKLNBSA-N
HMDB45387,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,36,39,45,48,60H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1",WNTQRNVQYIEICE,ZUNLKGANSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",WNTQRNVQYIEICE-ZUNLKGANSA-N
HMDB45388,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-7,9-10,12-15,18,21-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1",FUFCCGBYLOBWHP,GCJOXKIISA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",FUFCCGBYLOBWHP-GCJOXKIISA-N
HMDB45389,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-7,9-10,12-15,18,21-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",WEHFEWQFZHCTSK,CJVFTWQWSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WEHFEWQFZHCTSK-CJVFTWQWSA-N
HMDB45390,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30,32,35,41,44,56H,4-6,9,12-15,18,21-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",IHQXBIFHBYYTNB,KMMUHZQASA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",IHQXBIFHBYYTNB-KMMUHZQASA-N
HMDB45391,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30,32,35-36,39,41,44,56H,4-6,9,12-15,18,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1",HQMVQKBESXYEOV,RDXPTAAPSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",HQMVQKBESXYEOV-RDXPTAAPSA-N
HMDB45392,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,43,46,58H,4-6,9,12-15,18,21-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-/t58-/m0/s1",LTNOFSJTZIJVLU,JOXWQGOESA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",LTNOFSJTZIJVLU-JOXWQGOESA-N
HMDB45393,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",CBEMNRMZPXVRFJ,GZBVYJFJSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CBEMNRMZPXVRFJ-GZBVYJFJSA-N
HMDB45394,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,9,12-15,18,21-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1",OHSCTPYVQBIXJB,JOVICSMISA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OHSCTPYVQBIXJB-JOVICSMISA-N
HMDB45395,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-6,9,12-15,18,21-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",ORHRYJKHSZANHP,RHLDFOEISA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ORHRYJKHSZANHP-RHLDFOEISA-N
HMDB45396,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,41,44,57H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,44-41-/t57-/m1/s1",OUEBBRDNXXCWTD,KQZHUXBNSA,N,"TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)",OUEBBRDNXXCWTD-KQZHUXBNSA-N
HMDB45397,936.814591188,C61H108O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,30-31,37,40,58H,4-6,8-9,11-15,17-18,20-24,26-27,29,32-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,40-37-",DRIXOWJDAWZQDB,IBPDSFNJSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",DRIXOWJDAWZQDB-IBPDSFNJSA-N
HMDB45398,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,39,42,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,42-39-/t60-/m0/s1",DSTCTJRXZHFEEO,CYHCANLKSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)",DSTCTJRXZHFEEO-CYHCANLKSA-N
HMDB45399,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,33,35,41,44,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,29-26-,35-33-,44-41-/t62-/m0/s1",IZKVTERFBXVALR,OWAAZXRYSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)",IZKVTERFBXVALR-OWAAZXRYSA-N
HMDB45400,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-/t64-/m0/s1",VZNSJBSKURYVIY,HATRRIATSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)",VZNSJBSKURYVIY-HATRRIATSA-N
HMDB45401,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,33,36,54H,4-6,8-9,11-14,17,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,36-33-/t54-/m1/s1",XREFWOOGCHKUDW,OVGGGNPBSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",XREFWOOGCHKUDW-OVGGGNPBSA-N
HMDB45402,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,35,38,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,38-35-/t56-/m1/s1",VQCWRVQVSLPAAK,HIMBFOQYSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",VQCWRVQVSLPAAK-HIMBFOQYSA-N
HMDB45403,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,28,30-31,37,40,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,29,32-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,40-37-/t58-/m1/s1",BATTXPOIIULUIC,LQEIFWCLSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",BATTXPOIIULUIC-LQEIFWCLSA-N
HMDB45404,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,30-32,37,40,58H,4-6,8-9,11-15,17-18,20-24,27,29,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,40-37-/t58-/m1/s1",URUQWDBNKPILKA,ANVSTZGESA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",URUQWDBNKPILKA-ANVSTZGESA-N
HMDB45405,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,39,42,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,42-39-/t60-/m0/s1",DWQZBCMNGWIPJK,AKRVDTJHSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",DWQZBCMNGWIPJK-AKRVDTJHSA-N
HMDB45406,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",BRPUMZUOUUAVGA,QZXWPPGBSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",BRPUMZUOUUAVGA-QZXWPPGBSA-N
HMDB45407,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,33,35,41,44,62H,4-7,9-10,12-16,18-19,21-24,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,35-33-,44-41-/t62-/m0/s1",WZUWKYPMJFLNJG,PJQHEIKESA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",WZUWKYPMJFLNJG-PJQHEIKESA-N
HMDB45408,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,46-43-/t64-/m0/s1",KXNSVUPUVDRDJW,KGWXKUPTSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",KXNSVUPUVDRDJW-KGWXKUPTSA-N
HMDB45409,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28,30-32,37,40,58H,4-6,8-9,11-15,18,21-24,27,29,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-/t58-/m1/s1",FRROZSMHBCUDNP,PTLMUNSOSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",FRROZSMHBCUDNP-PTLMUNSOSA-N
HMDB45410,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28,30-32,37-38,40-41,58H,4-6,8-9,11-15,18,21-24,27,29,33-36,39,42-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-/t58-/m1/s1",TYJRECZIRNILCG,LDIDKRSASA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",TYJRECZIRNILCG-LDIDKRSASA-N
HMDB45411,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,39,42,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,42-39-/t60-/m0/s1",JOCPCQKZJZTLKW,NSVKHFIASA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",JOCPCQKZJZTLKW-NSVKHFIASA-N
HMDB45412,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,38-39,42,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-/t60-/m0/s1",FFMPGKXDJNLCRV,RTLLCJTESA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",FFMPGKXDJNLCRV-RTLLCJTESA-N
HMDB45413,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",XOMMIQREYDPKRF,FMYHXWRUSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",XOMMIQREYDPKRF-FMYHXWRUSA-N
HMDB45414,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33,35,41,44,62H,4-7,9-10,12-15,18,21-24,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,44-41-/t62-/m0/s1",TXXTVYZIRVFZBO,LLSCZRRJSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",TXXTVYZIRVFZBO-LLSCZRRJSA-N
HMDB45415,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,62H,4-7,9-10,12-15,18,21-24,27,30-31,36-39,42,45-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-/t62-/m0/s1",VRXVKDOHWPIQLI,CJHTUJGISA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",VRXVKDOHWPIQLI-CJHTUJGISA-N
HMDB45416,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49,52,62H,4-7,9-10,12-15,18,21-24,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-/t62-/m0/s1",WWBHYAKXPJSSDK,VJROUUKBSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WWBHYAKXPJSSDK-VJROUUKBSA-N
HMDB45417,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30-32,37,40,58H,4-6,9,12-15,18,21-24,27,29,33-36,38-39,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-/t58-/m1/s1",LWJIBLNCQXDAPD,NRCIXGSSSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",LWJIBLNCQXDAPD-NRCIXGSSSA-N
HMDB45418,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30-32,37-38,40-41,58H,4-6,9,12-15,18,21-24,27,29,33-36,39,42-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-/t58-/m1/s1",HETXZCVFIGETGE,VYYHDMRKSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",HETXZCVFIGETGE-VYYHDMRKSA-N
HMDB45419,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,60H,4-6,9,12-15,18,21-24,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-/t60-/m0/s1",IUMDGPNWURWSCV,FJBSQTRCSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",IUMDGPNWURWSCV-FJBSQTRCSA-N
HMDB45420,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,9,12-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",QAMWFCYOJWMYOC,SBGMQPKRSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QAMWFCYOJWMYOC-SBGMQPKRSA-N
HMDB45421,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,62H,4-6,9,12-15,18,21-24,27,30-31,36-39,42,45-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-/t62-/m0/s1",AEPAWSXNWPLZEO,UVXHCMLVSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AEPAWSXNWPLZEO-UVXHCMLVSA-N
HMDB45422,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49,52,62H,4-6,9,12-15,18,21-24,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-/t62-/m0/s1",NHOONBFZUMWOFW,OWQGDOAGSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NHOONBFZUMWOFW-OWQGDOAGSA-N
HMDB45423,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,31-32,37,40,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,40-37-/t59-/m1/s1",IHYPOGYXZQEOLY,BBMIIAJSSA,N,"TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",IHYPOGYXZQEOLY-BBMIIAJSSA-N
HMDB45424,934.798941124,C61H106O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,30-31,37,40,46,49,58H,4-6,8-9,11-15,17-18,20-24,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,40-37-,49-46-",MXWJCESIHOMKNI,LQJAWJLMSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",MXWJCESIHOMKNI-LQJAWJLMSA-N
HMDB45425,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,39,42,48,51,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,42-39-,51-48-/t60-/m0/s1",NFFNDBLEGQCYOX,TWKXXNKTSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)",NFFNDBLEGQCYOX-TWKXXNKTSA-N
HMDB45426,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,33,35,41,44,50,53,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,29-26-,35-33-,44-41-,53-50-/t62-/m0/s1",KHQLJCOLEGZUHH,UNYQXBTBSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)",KHQLJCOLEGZUHH-UNYQXBTBSA-N
HMDB45427,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",HGKCBIGTSOSMDG,UECQVHBGSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)",HGKCBIGTSOSMDG-UECQVHBGSA-N
HMDB45428,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,33,36,42,45,54H,4-6,8-9,11-14,17,20-23,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,36-33-,45-42-/t54-/m1/s1",DJDZSBPQYGPJQU,ZPBUVHNBSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",DJDZSBPQYGPJQU-ZPBUVHNBSA-N
HMDB45429,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,35,38,44,47,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,38-35-,47-44-/t56-/m1/s1",VATVWFFEGPLLHD,FIJFONBJSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",VATVWFFEGPLLHD-FIJFONBJSA-N
HMDB45430,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,28,30-31,37,40,46,49,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,40-37-,49-46-/t58-/m1/s1",BZQYEJAYERZRJS,WKRPUELYSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",BZQYEJAYERZRJS-WKRPUELYSA-N
HMDB45431,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,30-32,37,40,46,49,58H,4-6,8-9,11-15,17-18,20-24,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,40-37-,49-46-/t58-/m1/s1",BKHXDUHHZDYYTH,NXBIKZRBSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",BKHXDUHHZDYYTH-NXBIKZRBSA-N
HMDB45432,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,39,42,48,51,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,42-39-,51-48-/t60-/m0/s1",IWTUJKDKUVPDNI,YECIVOGWSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",IWTUJKDKUVPDNI-YECIVOGWSA-N
HMDB45433,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",SXAAWCNXDWGCLB,WVVQKHDVSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",SXAAWCNXDWGCLB-WVVQKHDVSA-N
HMDB45434,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,33,35,41,44,50,53,62H,4-7,9-10,12-16,18-19,21-24,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,35-33-,44-41-,53-50-/t62-/m0/s1",QBAMKUNGYPCVPV,LTKUSBGLSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",QBAMKUNGYPCVPV-LTKUSBGLSA-N
HMDB45435,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",VBUKAQOTGMYFOJ,MKBHGDLBSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",VBUKAQOTGMYFOJ-MKBHGDLBSA-N
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HMDB45439,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,38-39,42,48,51,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-/t60-/m0/s1",QWLKJDKJCFMSGB,OZQFVIIKSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",QWLKJDKJCFMSGB-OZQFVIIKSA-N
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HMDB45442,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,50,53,62H,4-7,9-10,12-15,18,21-24,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-/t62-/m0/s1",DBQGDMLNEXNISB,BDBIOEGPSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",DBQGDMLNEXNISB-BDBIOEGPSA-N
HMDB45443,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-7,9-10,12-15,18,21-24,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",UURRRKGAHHCVSI,ATWVAKFQSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UURRRKGAHHCVSI-ATWVAKFQSA-N
HMDB45444,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30-32,37,40,46,49,58H,4-6,9,12-15,18,21-24,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,49-46-/t58-/m1/s1",TVDXSIILNLRIJJ,HQKBNYOCSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",TVDXSIILNLRIJJ-HQKBNYOCSA-N
HMDB45445,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30-32,37-38,40-41,46,49,58H,4-6,9,12-15,18,21-24,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-/t58-/m1/s1",LTOBMCWYCCPTOO,OALOSSPSSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",LTOBMCWYCCPTOO-OALOSSPSSA-N
HMDB45446,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,48,51,60H,4-6,9,12-15,18,21-24,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-/t60-/m0/s1",HOJKDYMVHKKNHI,KDGBUHMYSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",HOJKDYMVHKKNHI-KDGBUHMYSA-N
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HMDB45448,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,50,53,62H,4-6,9,12-15,18,21-24,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-/t62-/m0/s1",OTFHEYIENBSGTP,HZMSJLSZSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OTFHEYIENBSGTP-HZMSJLSZSA-N
HMDB45449,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-6,9,12-15,18,21-24,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",POVKTGOFOJWXMA,VQHKAUGWSA,N,"TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",POVKTGOFOJWXMA-VQHKAUGWSA-N
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HMDB45451,876.850976694,C57H112O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55H,4-54H2,1-3H3",URYOVFUKHXKANZ,UHFFFAOYSA,N,TG(18:0/o-18:0/18:0),URYOVFUKHXKANZ-UHFFFAOYSA-N
HMDB45452,904.882276835,C59H116O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h57H,4-56H2,1-3H3/t57-/m0/s1",GLTXVZMPVQXUKF,SMWREMLRSA,N,TG(18:0/o-18:0/20:0),GLTXVZMPVQXUKF-SMWREMLRSA-N
HMDB45453,932.913576964,C61H120O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h59H,4-58H2,1-3H3/t59-/m0/s1",CYDMAGIJGZLUTC,MNPYLUJASA,N,TG(18:0/o-18:0/22:0),CYDMAGIJGZLUTC-MNPYLUJASA-N
HMDB45454,960.944877093,C63H124O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h61H,4-60H2,1-3H3/t61-/m0/s1",MULJNTJYDMBSJY,WMNDHARXSA,N,TG(18:0/o-18:0/24:0),MULJNTJYDMBSJY-WMNDHARXSA-N
HMDB45455,818.772726384,C53H102O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-/t51-/m1/s1",GUDMHNIACHIHFR,WAEMFQRBSA,N,TG(18:0/o-18:0/14:1(9Z)),GUDMHNIACHIHFR-WAEMFQRBSA-N
HMDB45456,846.804026513,C55H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,53H,4-20,22-23,25-52H2,1-3H3/b24-21-/t53-/m1/s1",KASIYQVJDRJTHU,JDMPLWDLSA,N,TG(18:0/o-18:0/16:1(9Z)),KASIYQVJDRJTHU-JDMPLWDLSA-N
HMDB45457,874.835326642,C57H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-/t55-/m1/s1",OLZRHDMTTQNXSI,ORXJQOAGSA,N,TG(18:0/o-18:0/18:1(11Z)),OLZRHDMTTQNXSI-ORXJQOAGSA-N
HMDB45458,874.835326642,C57H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h26,29,55H,4-25,27-28,30-54H2,1-3H3/b29-26-/t55-/m1/s1",MCIPPLJLYFTODM,OVDKEJHLSA,N,TG(18:0/o-18:0/18:1(9Z)),MCIPPLJLYFTODM-OVDKEJHLSA-N
HMDB45459,902.866626771,C59H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,57H,4-24,26-27,29-56H2,1-3H3/b28-25-/t57-/m0/s1",YEMQFZGWRFYGJM,CUASBFQXSA,N,TG(18:0/o-18:0/20:1(11Z)),YEMQFZGWRFYGJM-CUASBFQXSA-N
HMDB45460,898.835326642,C59H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,32,35,41,44,57H,4-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b28-25-,35-32-,44-41-/t57-/m0/s1",WILIPRUTQGFVKE,LNHLLTCJSA,N,"TG(18:0/o-18:0/20:3(5Z,8Z,11Z))",WILIPRUTQGFVKE-LNHLLTCJSA-N
HMDB45461,930.8979269,C61H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-/t59-/m0/s1",UTJVWKCXFFDBLK,OQVDUHLRSA,N,TG(18:0/o-18:0/22:1(13Z)),UTJVWKCXFFDBLK-OQVDUHLRSA-N
HMDB45462,958.929227028,C63H122O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-/t61-/m0/s1",WITFBADACYFOQN,SBOILKGHSA,N,TG(18:0/o-18:0/24:1(15Z)),WITFBADACYFOQN-SBOILKGHSA-N
HMDB45463,872.819676578,C57H108O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,55H,4-16,18-19,21-25,27-28,30-54H2,1-3H3/b20-17-,29-26-/t55-/m1/s1",QLHPUAROMSHCHI,UHZSMGGVSA,N,"TG(18:0/o-18:0/18:2(9Z,12Z))",QLHPUAROMSHCHI-UHZSMGGVSA-N
HMDB45464,870.804026513,C57H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,35,38,55H,4-16,18-19,21-25,27-28,30-34,36-37,39-54H2,1-3H3/b20-17-,29-26-,38-35-/t55-/m1/s1",LLAVCIGKJBNPIR,LRZOXXFJSA,N,"TG(18:0/o-18:0/18:3(6Z,9Z,12Z))",LLAVCIGKJBNPIR-LRZOXXFJSA-N
HMDB45465,900.850976706,C59H112O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,57H,4-15,17-18,20-24,26-27,29-56H2,1-3H3/b19-16-,28-25-/t57-/m0/s1",RPLBRIYXQKGFND,NRCLJHGGSA,N,TG(18:0/o-18:0/20:2n6),RPLBRIYXQKGFND-NRCLJHGGSA-N
HMDB45466,898.835326642,C59H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,57H,4-15,17-18,20-24,26-27,29-31,33-34,36-56H2,1-3H3/b19-16-,28-25-,35-32-/t57-/m0/s1",ZMDNIJLMOLWCDS,IRIHKBLQSA,N,TG(18:0/o-18:0/20:3n6),ZMDNIJLMOLWCDS-IRIHKBLQSA-N
HMDB45467,896.819676578,C59H108O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,41,44,57H,4-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b19-16-,28-25-,35-32-,44-41-/t57-/m0/s1",BKMRHVWXAGNOBA,GXDMMFOSSA,N,"TG(18:0/o-18:0/20:4(5Z,8Z,11Z,14Z))",BKMRHVWXAGNOBA-GXDMMFOSSA-N
HMDB45468,928.882276835,C61H116O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,59H,4-15,17-18,20-24,26-27,29-58H2,1-3H3/b19-16-,28-25-/t59-/m0/s1",BEJINFUEKQSHML,ADMBXHAWSA,N,"TG(18:0/o-18:0/22:2(13Z,16Z))",BEJINFUEKQSHML-ADMBXHAWSA-N
HMDB45469,924.850976706,C61H112O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,37,40,59H,4-15,17-18,20-24,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b19-16-,28-25-,32-31-,40-37-/t59-/m0/s1",FCSMYJQXGWBEFO,XNWOAGELSA,N,"TG(18:0/o-18:0/22:4(7Z,10Z,13Z,16Z))",FCSMYJQXGWBEFO-XNWOAGELSA-N
HMDB45470,922.835326642,C61H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,37,40,46,49,59H,4-15,17-18,20-24,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,28-25-,32-31-,40-37-,49-46-/t59-/m0/s1",UQUOHRPNHGUIMB,LTEHJIEFSA,N,"TG(18:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",UQUOHRPNHGUIMB-LTEHJIEFSA-N
HMDB45471,870.804026513,C57H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,55H,4-7,9-10,12-16,18-19,21-25,27-28,30-54H2,1-3H3/b11-8-,20-17-,29-26-/t55-/m1/s1",WNIDTLACSIPEOD,QZRROOOBSA,N,"TG(18:0/o-18:0/18:3(9Z,12Z,15Z))",WNIDTLACSIPEOD-QZRROOOBSA-N
HMDB45472,868.788376449,C57H104O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,35,38,55H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,29-26-,38-35-/t55-/m1/s1",DWWVDERGXAMHFX,FRVOMFDKSA,N,"TG(18:0/o-18:0/18:4(6Z,9Z,12Z,15Z))",DWWVDERGXAMHFX-FRVOMFDKSA-N
HMDB45473,896.819676578,C59H108O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,57H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-56H2,1-3H3/b10-7-,19-16-,28-25-,35-32-/t57-/m0/s1",PMXHIYFXMLOPCL,OVKWZGSBSA,N,"TG(18:0/o-18:0/20:4(8Z,11Z,14Z,17Z))",PMXHIYFXMLOPCL-OVKWZGSBSA-N
HMDB45474,894.804026513,C59H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,41,44,57H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,44-41-/t57-/m0/s1",GPCIHFFIIBYWJS,QHSNHITFSA,N,"TG(18:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",GPCIHFFIIBYWJS-QHSNHITFSA-N
HMDB45475,922.835326642,C61H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,31-32,37,40,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,40-37-/t59-/m0/s1",BBAISVLWOATSLI,KHJNTSAKSA,N,"TG(18:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",BBAISVLWOATSLI-KHJNTSAKSA-N
HMDB45476,920.819676578,C61H108O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,31-32,37,40,46,49,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,40-37-,49-46-/t59-/m0/s1",ROIRYNZZWKZHMR,XAPRIEACSA,N,"TG(18:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ROIRYNZZWKZHMR-XAPRIEACSA-N
HMDB45477,890.830241252,C57H110O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3",KKBWDSMULWDHME,UHFFFAOYSA,N,TG(20:0/14:0/20:0),KKBWDSMULWDHME-UHFFFAOYSA-N
HMDB45478,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1",QJIKELDOKBECPV,UWGNJQTFSA,N,TG(20:0/14:0/22:0),QJIKELDOKBECPV-UWGNJQTFSA-N
HMDB45479,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",DLLQBJIUCOEQLY,XKJQNMSGSA,N,TG(20:0/14:0/24:0),DLLQBJIUCOEQLY-XKJQNMSGSA-N
HMDB45480,804.720690811,C51H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,17,48H,4-13,15-16,18-47H2,1-3H3/b17-14-/t48-/m1/s1",FDWIGGGTKAUHLP,WZBLLWBYSA,N,TG(20:0/14:0/14:1(9Z)),FDWIGGGTKAUHLP-WZBLLWBYSA-N
HMDB45481,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-/t50-/m1/s1",RXTQLLNMMQBMKT,DKKVYINCSA,N,TG(20:0/14:0/16:1(9Z)),RXTQLLNMMQBMKT-DKKVYINCSA-N
HMDB45482,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-/t52-/m1/s1",SMFSTAFKCFQZEB,AZEUCKTBSA,N,TG(20:0/14:0/18:1(11Z)),SMFSTAFKCFQZEB-AZEUCKTBSA-N
HMDB45483,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h25,28,52H,4-24,26-27,29-51H2,1-3H3/b28-25-/t52-/m1/s1",NAIHPIFTQZGYNW,OCXGAJDGSA,N,TG(20:0/14:0/18:1(9Z)),NAIHPIFTQZGYNW-OCXGAJDGSA-N
HMDB45484,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,54H,4-23,25,27-53H2,1-3H3/b26-24-/t54-/m1/s1",BWOHNVUJJCXFQP,RIIZGYGHSA,N,TG(20:0/14:0/20:1(11Z)),BWOHNVUJJCXFQP-RIIZGYGHSA-N
HMDB45485,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,30,32,37,40,54H,4-23,25,27-29,31,33-36,38-39,41-53H2,1-3H3/b26-24-,32-30-,40-37-/t54-/m1/s1",PYZPMTALAXHGCB,CAWRAVACSA,N,"TG(20:0/14:0/20:3(5Z,8Z,11Z))",PYZPMTALAXHGCB-CAWRAVACSA-N
HMDB45486,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,56H,4-23,25,27-55H2,1-3H3/b26-24-/t56-/m0/s1",IPYRBHTYCZWCET,LIZMGIQCSA,N,TG(20:0/14:0/22:1(13Z)),IPYRBHTYCZWCET-LIZMGIQCSA-N
HMDB45487,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24,26,58H,4-23,25,27-57H2,1-3H3/b26-24-/t58-/m0/s1",SRNACCKGJYUSLV,QEMCYTAJSA,N,TG(20:0/14:0/24:1(15Z)),SRNACCKGJYUSLV-QEMCYTAJSA-N
HMDB45488,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,52H,4-16,18-19,21-24,26-27,29-51H2,1-3H3/b20-17-,28-25-/t52-/m1/s1",BDDYKWODQRFNKV,QLHBUVOUSA,N,"TG(20:0/14:0/18:2(9Z,12Z))",BDDYKWODQRFNKV-QLHBUVOUSA-N
HMDB45489,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,33,35,52H,4-16,18-19,21-24,26-27,29-32,34,36-51H2,1-3H3/b20-17-,28-25-,35-33-/t52-/m1/s1",VNKAHKVFGRGTQD,BZTWIAFQSA,N,"TG(20:0/14:0/18:3(6Z,9Z,12Z))",VNKAHKVFGRGTQD-BZTWIAFQSA-N
HMDB45490,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,54H,4-15,17-18,20-23,25,27-53H2,1-3H3/b19-16-,26-24-/t54-/m1/s1",XFHPBPSCAOAXDF,LOBNJYFQSA,N,TG(20:0/14:0/20:2n6),XFHPBPSCAOAXDF-LOBNJYFQSA-N
HMDB45491,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,54H,4-15,17-18,20-23,25,27-29,31,33-53H2,1-3H3/b19-16-,26-24-,32-30-/t54-/m1/s1",HEZIFHPOCSMIRI,SBIMNFJZSA,N,TG(20:0/14:0/20:3n6),HEZIFHPOCSMIRI-SBIMNFJZSA-N
HMDB45492,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,37,40,54H,4-15,17-18,20-23,25,27-29,31,33-36,38-39,41-53H2,1-3H3/b19-16-,26-24-,32-30-,40-37-/t54-/m1/s1",SQKYADYBUNVMCF,TZKWBVHZSA,N,"TG(20:0/14:0/20:4(5Z,8Z,11Z,14Z))",SQKYADYBUNVMCF-TZKWBVHZSA-N
HMDB45493,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,56H,4-15,17-18,20-23,25,27-55H2,1-3H3/b19-16-,26-24-/t56-/m0/s1",SYGFOSKNZKVBDP,KNAYTQRDSA,N,"TG(20:0/14:0/22:2(13Z,16Z))",SYGFOSKNZKVBDP-KNAYTQRDSA-N
HMDB45494,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,35,38,56H,4-15,17-18,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,26-24-,31-29-,38-35-/t56-/m0/s1",FYBSNXHPEPUUDT,ZLPYVIQUSA,N,"TG(20:0/14:0/22:4(7Z,10Z,13Z,16Z))",FYBSNXHPEPUUDT-ZLPYVIQUSA-N
HMDB45495,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,35,38,43,46,56H,4-15,17-18,20-23,25,27-28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b19-16-,26-24-,31-29-,38-35-,46-43-/t56-/m0/s1",RRBSQUOLAOTZPO,GURZMGHUSA,N,"TG(20:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",RRBSQUOLAOTZPO-GURZMGHUSA-N
HMDB45496,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-51H2,1-3H3/b11-8-,20-17-,28-25-/t52-/m1/s1",CHGVHAOSWOJCHZ,ZNVCVHDVSA,N,"TG(20:0/14:0/18:3(9Z,12Z,15Z))",CHGVHAOSWOJCHZ-ZNVCVHDVSA-N
HMDB45497,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,33,35,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-32,34,36-51H2,1-3H3/b11-8-,20-17-,28-25-,35-33-/t52-/m1/s1",YPZHMFKSQFPXDE,BLQZZMGVSA,N,"TG(20:0/14:0/18:4(6Z,9Z,12Z,15Z))",YPZHMFKSQFPXDE-BLQZZMGVSA-N
HMDB45498,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,54H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-53H2,1-3H3/b10-7-,19-16-,26-24-,32-30-/t54-/m1/s1",OAWZXYQFSSUDQG,RVRVDDSXSA,N,"TG(20:0/14:0/20:4(8Z,11Z,14Z,17Z))",OAWZXYQFSSUDQG-RVRVDDSXSA-N
HMDB45499,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,37,40,54H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-36,38-39,41-53H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,40-37-/t54-/m1/s1",JBRTUJBXWSKTAY,XDMDWMGJSA,N,"TG(20:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",JBRTUJBXWSKTAY-XDMDWMGJSA-N
HMDB45500,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,35,38,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,38-35-/t56-/m0/s1",UCOBEICIEHBRQF,CVAQNUKQSA,N,"TG(20:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",UCOBEICIEHBRQF-CVAQNUKQSA-N
HMDB45501,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,35,38,43,46,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,38-35-,46-43-/t56-/m0/s1",NGIFJMDTVBLBMA,CVHYVEJNSA,N,"TG(20:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NGIFJMDTVBLBMA-CVHYVEJNSA-N
HMDB45502,848.819676578,C55H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m1/s1",QQSPRUUJMSRQBL,IONAWPRUSA,N,TG(20:0/14:0/o-18:0),QQSPRUUJMSRQBL-IONAWPRUSA-N
HMDB45503,904.845891316,C58H112O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3",QSIOCERNCBRQDE,UHFFFAOYSA,N,TG(20:0/15:0/20:0),QSIOCERNCBRQDE-UHFFFAOYSA-N
HMDB45504,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m0/s1",ZJJZTFFBMZHDNE,SMWREMLRSA,N,TG(20:0/15:0/22:0),ZJJZTFFBMZHDNE-SMWREMLRSA-N
HMDB45505,960.908491584,C62H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3/t59-/m0/s1",WOEPDJYORVHAJU,MNPYLUJASA,N,TG(20:0/15:0/24:0),WOEPDJYORVHAJU-MNPYLUJASA-N
HMDB45506,818.736340876,C52H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,49H,4-14,16-17,19-48H2,1-3H3/b18-15-/t49-/m1/s1",XQGOBCMATVTNTB,FBUBQAPCSA,N,TG(20:0/15:0/14:1(9Z)),XQGOBCMATVTNTB-FBUBQAPCSA-N
HMDB45507,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/m1/s1",HREUUVCMFUGBOQ,FECCDXIYSA,N,TG(20:0/15:0/16:1(9Z)),HREUUVCMFUGBOQ-FECCDXIYSA-N
HMDB45508,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-/t53-/m1/s1",QKRVBZIYTMJEFU,WYGCASPRSA,N,TG(20:0/15:0/18:1(11Z)),QKRVBZIYTMJEFU-WYGCASPRSA-N
HMDB45509,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,53H,4-25,27-28,30-52H2,1-3H3/b29-26-/t53-/m1/s1",JUIQVTDDXWBQQM,NZGPNZROSA,N,TG(20:0/15:0/18:1(9Z)),JUIQVTDDXWBQQM-NZGPNZROSA-N
HMDB45510,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m1/s1",RXQLSLDWVWJUIM,DGWQIHMPSA,N,TG(20:0/15:0/20:1(11Z)),RXQLSLDWVWJUIM-DGWQIHMPSA-N
HMDB45511,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,31,33,38,41,55H,4-24,26,28-30,32,34-37,39-40,42-54H2,1-3H3/b27-25-,33-31-,41-38-/t55-/m1/s1",ASJDYPQIFWQJPP,DFBVFTRISA,N,"TG(20:0/15:0/20:3(5Z,8Z,11Z))",ASJDYPQIFWQJPP-DFBVFTRISA-N
HMDB45512,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-/t57-/m0/s1",BCOGFBKLXFAYEJ,QWQBRNDCSA,N,TG(20:0/15:0/22:1(13Z)),BCOGFBKLXFAYEJ-QWQBRNDCSA-N
HMDB45513,958.89284152,C62H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-/t59-/m0/s1",NNOPSGMRHDPONU,UZFPNTDRSA,N,TG(20:0/15:0/24:1(15Z)),NNOPSGMRHDPONU-UZFPNTDRSA-N
HMDB45514,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,53H,4-16,18-19,21-25,27-28,30-52H2,1-3H3/b20-17-,29-26-/t53-/m1/s1",OEUNIGHZBALSMK,IFNSVAJYSA,N,"TG(20:0/15:0/18:2(9Z,12Z))",OEUNIGHZBALSMK-IFNSVAJYSA-N
HMDB45515,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,53H,4-16,18-19,21-25,27-28,30-33,35,37-52H2,1-3H3/b20-17-,29-26-,36-34-/t53-/m1/s1",ISZQGLGNOCKOIW,IRSWWPPJSA,N,"TG(20:0/15:0/18:3(6Z,9Z,12Z))",ISZQGLGNOCKOIW-IRSWWPPJSA-N
HMDB45516,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-/t55-/m1/s1",IWMMPHFMKHDCLA,RLIOHNKCSA,N,TG(20:0/15:0/20:2n6),IWMMPHFMKHDCLA-RLIOHNKCSA-N
HMDB45517,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,55H,4-15,17-18,20-24,26,28-30,32,34-54H2,1-3H3/b19-16-,27-25-,33-31-/t55-/m1/s1",MGWARNQTGMPDFT,YGNDMOEESA,N,TG(20:0/15:0/20:3n6),MGWARNQTGMPDFT-YGNDMOEESA-N
HMDB45518,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,38,41,55H,4-15,17-18,20-24,26,28-30,32,34-37,39-40,42-54H2,1-3H3/b19-16-,27-25-,33-31-,41-38-/t55-/m1/s1",SEEXZSJWUOGTDD,IBHLQUFFSA,N,"TG(20:0/15:0/20:4(5Z,8Z,11Z,14Z))",SEEXZSJWUOGTDD-IBHLQUFFSA-N
HMDB45519,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-/t57-/m0/s1",UBXJBJCTVAJUEO,UVWMBFROSA,N,"TG(20:0/15:0/22:2(13Z,16Z))",UBXJBJCTVAJUEO-UVWMBFROSA-N
HMDB45520,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,57H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-56H2,1-3H3/b19-16-,27-25-,32-30-,39-36-/t57-/m0/s1",XJUZJPDCZUPASF,KDUWMNDDSA,N,"TG(20:0/15:0/22:4(7Z,10Z,13Z,16Z))",XJUZJPDCZUPASF-KDUWMNDDSA-N
HMDB45521,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,44,47,57H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-43,45-46,48-56H2,1-3H3/b19-16-,27-25-,32-30-,39-36-,47-44-/t57-/m0/s1",KVVHPWPLBLLZDU,DWQKHLSGSA,N,"TG(20:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",KVVHPWPLBLLZDU-DWQKHLSGSA-N
HMDB45522,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,53H,4-7,9-10,12-16,18-19,21-25,27-28,30-52H2,1-3H3/b11-8-,20-17-,29-26-/t53-/m1/s1",BLZQWCBFZOVBNW,APGUVPFOSA,N,"TG(20:0/15:0/18:3(9Z,12Z,15Z))",BLZQWCBFZOVBNW-APGUVPFOSA-N
HMDB45523,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,53H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-52H2,1-3H3/b11-8-,20-17-,29-26-,36-34-/t53-/m1/s1",XPZZJXLGFUGZEI,GBPRFBSFSA,N,"TG(20:0/15:0/18:4(6Z,9Z,12Z,15Z))",XPZZJXLGFUGZEI-GBPRFBSFSA-N
HMDB45524,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,55H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,33-31-/t55-/m1/s1",UJUOOWYFRZLMGP,TVZXMLSKSA,N,"TG(20:0/15:0/20:4(8Z,11Z,14Z,17Z))",UJUOOWYFRZLMGP-TVZXMLSKSA-N
HMDB45525,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,38,41,55H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-37,39-40,42-54H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,41-38-/t55-/m1/s1",XOEJOLPGECVARD,KEYDYVCZSA,N,"TG(20:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",XOEJOLPGECVARD-KEYDYVCZSA-N
HMDB45526,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-/t57-/m0/s1",YBHGFFGBCXMQOI,IKHWXZOCSA,N,"TG(20:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",YBHGFFGBCXMQOI-IKHWXZOCSA-N
HMDB45527,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,44,47,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-,47-44-/t57-/m0/s1",OZTCVOOSAIQGIK,MYXRNZRESA,N,"TG(20:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OZTCVOOSAIQGIK-MYXRNZRESA-N
HMDB45528,862.835326642,C56H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m1/s1",XTZWNDKREIRXJG,AXAMJWTMSA,N,TG(20:0/15:0/o-18:0),XTZWNDKREIRXJG-AXAMJWTMSA-N
HMDB45529,918.86154138,C59H114O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3",SUMPHEISKXZHDZ,UHFFFAOYSA,N,TG(20:0/16:0/20:0),SUMPHEISKXZHDZ-UHFFFAOYSA-N
HMDB45530,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",IASWGELOHCKNPI,XKJQNMSGSA,N,TG(20:0/16:0/22:0),IASWGELOHCKNPI-XKJQNMSGSA-N
HMDB45531,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m0/s1",KDFFJXPKTJSASM,WDLSKMLESA,N,TG(20:0/16:0/24:0),KDFFJXPKTJSASM-WDLSKMLESA-N
HMDB45532,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-/t50-/m1/s1",AJWXNNCJHGLYAD,GBDWEMPCSA,N,TG(20:0/16:0/14:1(9Z)),AJWXNNCJHGLYAD-GBDWEMPCSA-N
HMDB45533,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-/t52-/m1/s1",VROJFEPCSWUIHW,AZEUCKTBSA,N,TG(20:0/16:0/16:1(9Z)),VROJFEPCSWUIHW-AZEUCKTBSA-N
HMDB45534,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-/t54-/m1/s1",ZAQSWHTVZWGPPD,WTNBXCFCSA,N,TG(20:0/16:0/18:1(11Z)),ZAQSWHTVZWGPPD-WTNBXCFCSA-N
HMDB45535,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,54H,4-25,27-28,30-53H2,1-3H3/b29-26-/t54-/m1/s1",YPMNDOUIDVDQOW,CZTCNMGMSA,N,TG(20:0/16:0/18:1(9Z)),YPMNDOUIDVDQOW-CZTCNMGMSA-N
HMDB45536,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m1/s1",KAKUNEKXMAHXNF,VXVUXWGWSA,N,TG(20:0/16:0/20:1(11Z)),KAKUNEKXMAHXNF-VXVUXWGWSA-N
HMDB45537,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,31,34,39,42,56H,4-24,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b27-25-,34-31-,42-39-/t56-/m1/s1",NTBCNYFEMZLAKQ,GETVJMIXSA,N,"TG(20:0/16:0/20:3(5Z,8Z,11Z))",NTBCNYFEMZLAKQ-GETVJMIXSA-N
HMDB45538,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m0/s1",KPUXPYKAAMPTNN,YLFQOLFFSA,N,TG(20:0/16:0/22:1(13Z)),KPUXPYKAAMPTNN-YLFQOLFFSA-N
HMDB45539,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-/t60-/m0/s1",MYQZXEILKZNHFK,HBFRPXMKSA,N,TG(20:0/16:0/24:1(15Z)),MYQZXEILKZNHFK-HBFRPXMKSA-N
HMDB45540,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,54H,4-16,18-19,21-25,27-28,30-53H2,1-3H3/b20-17-,29-26-/t54-/m1/s1",SMHMKUKCAXWFDF,IEHWOXSQSA,N,"TG(20:0/16:0/18:2(9Z,12Z))",SMHMKUKCAXWFDF-IEHWOXSQSA-N
HMDB45541,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,54H,4-16,18-19,21-25,27-28,30-33,35-36,38-53H2,1-3H3/b20-17-,29-26-,37-34-/t54-/m1/s1",XYQFDSGKFQESCN,KEWDIONSSA,N,"TG(20:0/16:0/18:3(6Z,9Z,12Z))",XYQFDSGKFQESCN-KEWDIONSSA-N
HMDB45542,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-/t56-/m1/s1",VTPICOUFYQJTJI,HAVOCZCHSA,N,TG(20:0/16:0/20:2n6),VTPICOUFYQJTJI-HAVOCZCHSA-N
HMDB45543,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,34,56H,4-15,17-18,20-24,26,28-30,32-33,35-55H2,1-3H3/b19-16-,27-25-,34-31-/t56-/m1/s1",NQPCJERCCAOGIB,DOOFBCFMSA,N,TG(20:0/16:0/20:3n6),NQPCJERCCAOGIB-DOOFBCFMSA-N
HMDB45544,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,34,39,42,56H,4-15,17-18,20-24,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b19-16-,27-25-,34-31-,42-39-/t56-/m1/s1",PQOQYHSHUKCEOH,YHUZZUAOSA,N,"TG(20:0/16:0/20:4(5Z,8Z,11Z,14Z))",PQOQYHSHUKCEOH-YHUZZUAOSA-N
HMDB45545,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,58H,4-15,17-18,20-24,26,28-57H2,1-3H3/b19-16-,27-25-/t58-/m0/s1",POSPEMGIHZMKBT,KMHMPRQHSA,N,"TG(20:0/16:0/22:2(13Z,16Z))",POSPEMGIHZMKBT-KMHMPRQHSA-N
HMDB45546,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,37,39,58H,4-15,17-18,20-24,26,28-29,31,33-36,38,40-57H2,1-3H3/b19-16-,27-25-,32-30-,39-37-/t58-/m0/s1",MPLJLGNREKLWNT,CDBIGVDSSA,N,"TG(20:0/16:0/22:4(7Z,10Z,13Z,16Z))",MPLJLGNREKLWNT-CDBIGVDSSA-N
HMDB45547,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,37,39,45,48,58H,4-15,17-18,20-24,26,28-29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b19-16-,27-25-,32-30-,39-37-,48-45-/t58-/m0/s1",OQTGKJDKOAQDAP,VELMCQQDSA,N,"TG(20:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",OQTGKJDKOAQDAP-VELMCQQDSA-N
HMDB45548,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-53H2,1-3H3/b11-8-,20-17-,29-26-/t54-/m1/s1",LJYSOCUILOBCPA,DXRFALFFSA,N,"TG(20:0/16:0/18:3(9Z,12Z,15Z))",LJYSOCUILOBCPA-DXRFALFFSA-N
HMDB45549,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-53H2,1-3H3/b11-8-,20-17-,29-26-,37-34-/t54-/m1/s1",JWVUDERNGFMBBB,UYIKSULZSA,N,"TG(20:0/16:0/18:4(6Z,9Z,12Z,15Z))",JWVUDERNGFMBBB-UYIKSULZSA-N
HMDB45550,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,34,56H,4-6,8-9,11-15,17-18,20-24,26,28-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,27-25-,34-31-/t56-/m1/s1",NWGKOCFUJWBOLL,IWAJIDROSA,N,"TG(20:0/16:0/20:4(8Z,11Z,14Z,17Z))",NWGKOCFUJWBOLL-IWAJIDROSA-N
HMDB45551,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,34,39,42,56H,4-6,8-9,11-15,17-18,20-24,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,27-25-,34-31-,42-39-/t56-/m1/s1",CPMFWMHMOLRIEQ,BWDCAGGTSA,N,"TG(20:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",CPMFWMHMOLRIEQ-BWDCAGGTSA-N
HMDB45552,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,37,39,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-36,38,40-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-37-/t58-/m0/s1",UQMZLGDPMOJBPP,LZPBTHLPSA,N,"TG(20:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",UQMZLGDPMOJBPP-LZPBTHLPSA-N
HMDB45553,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,37,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-37-,48-45-/t58-/m0/s1",QYXYEGCBNMTBIO,GZADLBBHSA,N,"TG(20:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QYXYEGCBNMTBIO-GZADLBBHSA-N
HMDB45554,876.850976706,C57H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m1/s1",YDXYJDSUWQBOFH,KZRJWCEASA,N,TG(20:0/16:0/o-18:0),YDXYJDSUWQBOFH-KZRJWCEASA-N
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HMDB45556,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m0/s1",QCXFGOQZBZCHOF,WDLSKMLESA,N,TG(20:0/18:0/22:0),QCXFGOQZBZCHOF-WDLSKMLESA-N
HMDB45557,1002.955441764,C65H126O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3",CMEHXSBRLMEGFV,UHFFFAOYSA,N,TG(20:0/18:0/24:0),CMEHXSBRLMEGFV-UHFFFAOYSA-N
HMDB45558,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-/t52-/m1/s1",OJGNIFPCUMXXFV,AYIAWJIRSA,N,TG(20:0/18:0/14:1(9Z)),OJGNIFPCUMXXFV-AYIAWJIRSA-N
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HMDB45561,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h26,30,56H,4-25,27-29,31-55H2,1-3H3/b30-26-/t56-/m1/s1",WOYJJCSXKNHKCN,KMWQWKMBSA,N,TG(20:0/18:0/18:1(9Z)),WOYJJCSXKNHKCN-KMWQWKMBSA-N
HMDB45562,944.877191444,C61H116O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,58H,4-24,26-27,29-57H2,1-3H3/b28-25-",FKHJIQBVVFOYKQ,FVDSYPCUSA,N,TG(20:0/18:0/20:1(11Z)),FKHJIQBVVFOYKQ-FVDSYPCUSA-N
HMDB45563,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,33,35,41,44,58H,4-24,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b28-25-,35-33-,44-41-/t58-/m1/s1",IUCQBMBRIJLQCE,IARNVVBISA,N,"TG(20:0/18:0/20:3(5Z,8Z,11Z))",IUCQBMBRIJLQCE-IARNVVBISA-N
HMDB45564,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,60H,4-24,26-27,29-59H2,1-3H3/b28-25-/t60-/m0/s1",UXJYWOFCVLKPDF,HZLQDPIMSA,N,TG(20:0/18:0/22:1(13Z)),UXJYWOFCVLKPDF-HZLQDPIMSA-N
HMDB45565,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-/t62-/m0/s1",MVEXVPDZFGZHLZ,VSNPLYMRSA,N,TG(20:0/18:0/24:1(15Z)),MVEXVPDZFGZHLZ-VSNPLYMRSA-N
HMDB45566,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,26,30,56H,4-16,18-19,21-25,27-29,31-55H2,1-3H3/b20-17-,30-26-/t56-/m1/s1",FEWUEBYAXQMTPT,BSPWMJLXSA,N,"TG(20:0/18:0/18:2(9Z,12Z))",FEWUEBYAXQMTPT-BSPWMJLXSA-N
HMDB45567,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,26,30,36,39,56H,4-16,18-19,21-25,27-29,31-35,37-38,40-55H2,1-3H3/b20-17-,30-26-,39-36-/t56-/m1/s1",KSTHUKWIHBYJBJ,HMDUPXRASA,N,"TG(20:0/18:0/18:3(6Z,9Z,12Z))",KSTHUKWIHBYJBJ-HMDUPXRASA-N
HMDB45568,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,58H,4-15,17-18,20-24,26-27,29-57H2,1-3H3/b19-16-,28-25-/t58-/m1/s1",FCHJVBOWMICKJA,UAUPZCQFSA,N,TG(20:0/18:0/20:2n6),FCHJVBOWMICKJA-UAUPZCQFSA-N
HMDB45569,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,58H,4-15,17-18,20-24,26-27,29-32,34,36-57H2,1-3H3/b19-16-,28-25-,35-33-/t58-/m1/s1",KPIFNDIZKFVARX,SIPJOPBTSA,N,TG(20:0/18:0/20:3n6),KPIFNDIZKFVARX-SIPJOPBTSA-N
HMDB45570,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,41,44,58H,4-15,17-18,20-24,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,28-25-,35-33-,44-41-/t58-/m1/s1",SALMPXKLCVMTMW,VIDXZENWSA,N,"TG(20:0/18:0/20:4(5Z,8Z,11Z,14Z))",SALMPXKLCVMTMW-VIDXZENWSA-N
HMDB45571,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,60H,4-15,17-18,20-24,26-27,29-59H2,1-3H3/b19-16-,28-25-/t60-/m0/s1",DNBLIASYUOJINW,NUXSQISZSA,N,"TG(20:0/18:0/22:2(13Z,16Z))",DNBLIASYUOJINW-NUXSQISZSA-N
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HMDB45577,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,41,44,58H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,44-41-/t58-/m1/s1",QWTZSAXVXFTTIJ,MRYQNFRXSA,N,"TG(20:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",QWTZSAXVXFTTIJ-MRYQNFRXSA-N
HMDB45578,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,38,41,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,41-38-/t60-/m0/s1",YJBBKAQEXQATDN,SHMLEVFJSA,N,"TG(20:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",YJBBKAQEXQATDN-SHMLEVFJSA-N
HMDB45579,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,41-38-,50-47-/t60-/m0/s1",APPYUQSCODMKIN,AKZASNDYSA,N,"TG(20:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",APPYUQSCODMKIN-AKZASNDYSA-N
HMDB45580,904.882276835,C59H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h57H,4-56H2,1-3H3/t57-/m1/s1",IHJYEWQPTFJBEP,ODEQYEIHSA,N,TG(20:0/18:0/o-18:0),IHJYEWQPTFJBEP-ODEQYEIHSA-N
HMDB45582,1002.955441777,C65H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3/t62-/m0/s1",RZBGTDVLCODSBN,PNVGIOEQSA,N,TG(20:0/20:0/22:0),RZBGTDVLCODSBN-PNVGIOEQSA-N
HMDB45583,1030.986741906,C67H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3/t64-/m0/s1",HXFKUMAXELJEHJ,JVUALNACSA,N,TG(20:0/20:0/24:0),HXFKUMAXELJEHJ-JVUALNACSA-N
HMDB45584,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-/t54-/m1/s1",IUDLXSDWDIHVDD,IXHOOSMISA,N,TG(20:0/20:0/14:1(9Z)),IUDLXSDWDIHVDD-IXHOOSMISA-N
HMDB45585,916.845891316,C59H112O6,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-/t56-/m1/s1",KJVYOEKCDNOOAP,SZPKOVDMSA,N,TG(20:0/20:0/16:1(9Z)),KJVYOEKCDNOOAP-SZPKOVDMSA-N
HMDB45586,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-/t58-/m1/s1",QFLCNOQGBBZIBN,ZKVGIWGASA,N,TG(20:0/20:0/18:1(11Z)),QFLCNOQGBBZIBN-ZKVGIWGASA-N
HMDB45587,944.877191444,C61H116O6,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h27,32,58H,4-26,28-31,33-57H2,1-3H3/b32-27-/t58-/m1/s1",OWZMHFAFGQCCNI,FBXRAONGSA,N,TG(20:0/20:0/18:1(9Z)),OWZMHFAFGQCCNI-FBXRAONGSA-N
HMDB45589,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,34,37,43,46,60H,4-24,26-27,29-33,35-36,38-42,44-45,47-59H2,1-3H3/b28-25-,37-34-,46-43-/t60-/m1/s1",HQKSQUGAHISWQN,QVFOBYJHSA,N,"TG(20:0/20:0/20:3(5Z,8Z,11Z))",HQKSQUGAHISWQN-QVFOBYJHSA-N
HMDB45590,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-/t62-/m0/s1",ZJDLLPBZUKXOSV,VSNPLYMRSA,N,TG(20:0/20:0/22:1(13Z)),ZJDLLPBZUKXOSV-VSNPLYMRSA-N
HMDB45591,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-/t64-/m0/s1",YIYXAWFMCGLSFR,VMEFWXSPSA,N,TG(20:0/20:0/24:1(15Z)),YIYXAWFMCGLSFR-VMEFWXSPSA-N
HMDB45592,942.86154138,C61H114O6,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,32,58H,4-17,19-20,22-26,28-31,33-57H2,1-3H3/b21-18-,32-27-/t58-/m1/s1",VYGDFJHLNCSFJZ,GDTJZKNMSA,N,"TG(20:0/20:0/18:2(9Z,12Z))",VYGDFJHLNCSFJZ-GDTJZKNMSA-N
HMDB45593,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,32,38,41,58H,4-17,19-20,22-26,28-31,33-37,39-40,42-57H2,1-3H3/b21-18-,32-27-,41-38-/t58-/m1/s1",AQYRONSXFRXAPZ,OPULACOYSA,N,"TG(20:0/20:0/18:3(6Z,9Z,12Z))",AQYRONSXFRXAPZ-OPULACOYSA-N
HMDB45594,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,60H,4-15,17-18,20-24,26-27,29-59H2,1-3H3/b19-16-,28-25-/t60-/m1/s1",IURMBXSVKSWAOA,UKFOTICSSA,N,TG(20:0/20:0/20:2n6),IURMBXSVKSWAOA-UKFOTICSSA-N
HMDB45595,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,34,37,60H,4-15,17-18,20-24,26-27,29-33,35-36,38-59H2,1-3H3/b19-16-,28-25-,37-34-/t60-/m1/s1",SKYYKLLKGOJLMR,CZCJEMLCSA,N,TG(20:0/20:0/20:3n6),SKYYKLLKGOJLMR-CZCJEMLCSA-N
HMDB45597,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,62H,4-15,17-18,20-24,26-27,29-61H2,1-3H3/b19-16-,28-25-/t62-/m0/s1",FQYBGAVTLAKDSA,XQUHSXDMSA,N,"TG(20:0/20:0/22:2(13Z,16Z))",FQYBGAVTLAKDSA-XQUHSXDMSA-N
HMDB45598,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,35,40,43,62H,4-15,17-18,20-24,26-27,29-31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,35-32-,43-40-/t62-/m0/s1",ARWSGJUFDWSUAR,HETCTWHNSA,N,"TG(20:0/20:0/22:4(7Z,10Z,13Z,16Z))",ARWSGJUFDWSUAR-HETCTWHNSA-N
HMDB45599,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,35,40,43,49,52,62H,4-15,17-18,20-24,26-27,29-31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,35-32-,43-40-,52-49-/t62-/m0/s1",UQMAAGJJLRSZOE,DSCOFMSLSA,N,"TG(20:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",UQMAAGJJLRSZOE-DSCOFMSLSA-N
HMDB45600,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,32,58H,4-8,10-11,13-17,19-20,22-26,28-31,33-57H2,1-3H3/b12-9-,21-18-,32-27-/t58-/m1/s1",SJKUKFUWJWEPFD,AHYWTYHESA,N,"TG(20:0/20:0/18:3(9Z,12Z,15Z))",SJKUKFUWJWEPFD-AHYWTYHESA-N
HMDB45601,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,32,38,41,58H,4-8,10-11,13-17,19-20,22-26,28-31,33-37,39-40,42-57H2,1-3H3/b12-9-,21-18-,32-27-,41-38-/t58-/m1/s1",GFKHXQTZIPZMNW,OEBPQYFJSA,N,"TG(20:0/20:0/18:4(6Z,9Z,12Z,15Z))",GFKHXQTZIPZMNW-OEBPQYFJSA-N
HMDB45602,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,34,37,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,28-25-,37-34-/t60-/m1/s1",JVDSXKOHBLWGIM,ZAUMMMGXSA,N,"TG(20:0/20:0/20:4(8Z,11Z,14Z,17Z))",JVDSXKOHBLWGIM-ZAUMMMGXSA-N
HMDB45603,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,34,37,43,46,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,37-34-,46-43-/t60-/m1/s1",ZKCPJGUEGWADAV,MOJDRSRPSA,N,"TG(20:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZKCPJGUEGWADAV-MOJDRSRPSA-N
HMDB45604,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,35,40,43,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,43-40-/t62-/m0/s1",BBAMMRDSTCDWFA,SINMMIMBSA,N,"TG(20:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",BBAMMRDSTCDWFA-SINMMIMBSA-N
HMDB45605,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,35,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,43-40-,52-49-/t62-/m0/s1",UALZYWCKLIYBIY,DHNLNBDMSA,N,"TG(20:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UALZYWCKLIYBIY-DHNLNBDMSA-N
HMDB45606,932.913576964,C61H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3/t59-/m1/s1",OLRWRWDPRFLHOF,OBEXFZABSA,N,TG(20:0/20:0/o-18:0),OLRWRWDPRFLHOF-OBEXFZABSA-N
HMDB45607,1002.955441764,C65H126O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h62H,4-61H2,1-3H3",XTDVRLAUTZAKTB,UHFFFAOYSA,N,TG(20:0/22:0/20:0),XTDVRLAUTZAKTB-UHFFFAOYSA-N
HMDB45608,1030.986741906,C67H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3/t64-/m0/s1",DGSARKDBJLXUMY,JVUALNACSA,N,TG(20:0/22:0/22:0),DGSARKDBJLXUMY-JVUALNACSA-N
HMDB45609,1059.018042035,C69H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3/t66-/m0/s1",TXKQCFLLXMZPIK,FGKSCKJQSA,N,TG(20:0/22:0/24:0),TXKQCFLLXMZPIK-FGKSCKJQSA-N
HMDB45610,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,56H,4-14,16-17,19-55H2,1-3H3/b18-15-/t56-/m1/s1",WJSBURXJPCGRCH,AAABZKSKSA,N,TG(20:0/22:0/14:1(9Z)),WJSBURXJPCGRCH-AAABZKSKSA-N
HMDB45611,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-/t58-/m1/s1",FGTWYAFQAIRWOZ,ZKVGIWGASA,N,TG(20:0/22:0/16:1(9Z)),FGTWYAFQAIRWOZ-ZKVGIWGASA-N
HMDB45612,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-/t60-/m1/s1",VZNQKMLGTXDQIH,RXNSVRMPSA,N,TG(20:0/22:0/18:1(11Z)),VZNQKMLGTXDQIH-RXNSVRMPSA-N
HMDB45613,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,34,60H,4-26,28-33,35-59H2,1-3H3/b34-27-/t60-/m1/s1",KIOWNTIUPBZKFY,YAOUCAOSSA,N,TG(20:0/22:0/18:1(9Z)),KIOWNTIUPBZKFY-YAOUCAOSSA-N
HMDB45614,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h26,29,62H,4-25,27-28,30-61H2,1-3H3/b29-26-/t62-/m1/s1",CFAUDLOXMFKCOY,PFLKBAFQSA,N,TG(20:0/22:0/20:1(11Z)),CFAUDLOXMFKCOY-PFLKBAFQSA-N
HMDB45615,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h26,29,36,39,45,48,62H,4-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b29-26-,39-36-,48-45-/t62-/m1/s1",IUZLOHMEDXEHEM,ITWOBIKTSA,N,"TG(20:0/22:0/20:3(5Z,8Z,11Z))",IUZLOHMEDXEHEM-ITWOBIKTSA-N
HMDB45616,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-/t64-/m0/s1",OLRYTJWKGMDMCZ,VMEFWXSPSA,N,TG(20:0/22:0/22:1(13Z)),OLRYTJWKGMDMCZ-VMEFWXSPSA-N
HMDB45617,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,66H,4-24,26-27,29-65H2,1-3H3/b28-25-/t66-/m0/s1",RGEAHXCNUHLBHX,UMXKIVGISA,N,TG(20:0/22:0/24:1(15Z)),RGEAHXCNUHLBHX-UMXKIVGISA-N
HMDB45618,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,34,60H,4-17,19-20,22-26,28-33,35-59H2,1-3H3/b21-18-,34-27-/t60-/m1/s1",YITUAXAQLSWWNX,GZBHRQIQSA,N,"TG(20:0/22:0/18:2(9Z,12Z))",YITUAXAQLSWWNX-GZBHRQIQSA-N
HMDB45619,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,34,40,43,60H,4-17,19-20,22-26,28-33,35-39,41-42,44-59H2,1-3H3/b21-18-,34-27-,43-40-/t60-/m1/s1",HRIZOSOLJUQKSO,RKJQRDPNSA,N,"TG(20:0/22:0/18:3(6Z,9Z,12Z))",HRIZOSOLJUQKSO-RKJQRDPNSA-N
HMDB45620,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,62H,4-16,18-19,21-25,27-28,30-61H2,1-3H3/b20-17-,29-26-/t62-/m1/s1",YIHIUBIPPCMUKC,YJNPKASESA,N,TG(20:0/22:0/20:2n6),YIHIUBIPPCMUKC-YJNPKASESA-N
HMDB45621,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,36,39,62H,4-16,18-19,21-25,27-28,30-35,37-38,40-61H2,1-3H3/b20-17-,29-26-,39-36-/t62-/m1/s1",WOHUKQJNJCAIDD,VEMPENKTSA,N,TG(20:0/22:0/20:3n6),WOHUKQJNJCAIDD-VEMPENKTSA-N
HMDB45622,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,36,39,45,48,62H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,39-36-,48-45-/t62-/m1/s1",IXUHWDBLCYYEQY,VSAFQTNJSA,N,"TG(20:0/22:0/20:4(5Z,8Z,11Z,14Z))",IXUHWDBLCYYEQY-VSAFQTNJSA-N
HMDB45623,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,64H,4-15,17-18,20-24,26-27,29-63H2,1-3H3/b19-16-,28-25-/t64-/m0/s1",HCHPRFXSFUKEHG,CKHYUETFSA,N,"TG(20:0/22:0/22:2(13Z,16Z))",HCHPRFXSFUKEHG-CKHYUETFSA-N
HMDB45624,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,42,45,64H,4-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,28-25-,36-33-,45-42-/t64-/m0/s1",CTVAHDVWAJRCDL,RKLYDPPWSA,N,"TG(20:0/22:0/22:4(7Z,10Z,13Z,16Z))",CTVAHDVWAJRCDL-RKLYDPPWSA-N
HMDB45625,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,42,45,51,54,64H,4-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,28-25-,36-33-,45-42-,54-51-/t64-/m0/s1",HZCIRDUHHPTFMY,SYWVWAKRSA,N,"TG(20:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",HZCIRDUHHPTFMY-SYWVWAKRSA-N
HMDB45626,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,34,60H,4-8,10-11,13-17,19-20,22-26,28-33,35-59H2,1-3H3/b12-9-,21-18-,34-27-/t60-/m1/s1",UXLOFYOLOKXYAP,SRUIGVKTSA,N,"TG(20:0/22:0/18:3(9Z,12Z,15Z))",UXLOFYOLOKXYAP-SRUIGVKTSA-N
HMDB45627,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,34,40,43,60H,4-8,10-11,13-17,19-20,22-26,28-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,34-27-,43-40-/t60-/m1/s1",ALFAYLAQUMDHCM,LHFRGBNGSA,N,"TG(20:0/22:0/18:4(6Z,9Z,12Z,15Z))",ALFAYLAQUMDHCM-LHFRGBNGSA-N
HMDB45628,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,36,39,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,39-36-/t62-/m1/s1",DLPFDDHEBORZNT,JAPYCMHZSA,N,"TG(20:0/22:0/20:4(8Z,11Z,14Z,17Z))",DLPFDDHEBORZNT-JAPYCMHZSA-N
HMDB45629,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-/t62-/m1/s1",FBVCTXBQMKPCKC,DYURFAPOSA,N,"TG(20:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",FBVCTXBQMKPCKC-DYURFAPOSA-N
HMDB45630,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,42,45,64H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,45-42-/t64-/m0/s1",SAIHTZSPQQOHHH,YTLFJKPZSA,N,"TG(20:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",SAIHTZSPQQOHHH-YTLFJKPZSA-N
HMDB45631,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,42,45,51,54,64H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,45-42-,54-51-/t64-/m0/s1",HACKOPAZWOYURZ,IPOQFLIESA,N,"TG(20:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HACKOPAZWOYURZ-IPOQFLIESA-N
HMDB45632,960.944877093,C63H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3/t61-/m1/s1",MHRLSSVFMKLLLT,QRXDBQBNSA,N,TG(20:0/22:0/o-18:0),MHRLSSVFMKLLLT-QRXDBQBNSA-N
HMDB45633,1030.986741892,C67H130O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h64H,4-63H2,1-3H3",WHFOQEVNGXAGKG,UHFFFAOYSA,N,TG(20:0/24:0/20:0),WHFOQEVNGXAGKG-UHFFFAOYSA-N
HMDB45634,1059.018042035,C69H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3/t66-/m0/s1",QDVVEOYVLFTRNU,FGKSCKJQSA,N,TG(20:0/24:0/22:0),QDVVEOYVLFTRNU-FGKSCKJQSA-N
HMDB45635,1087.049342164,C71H138O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H138O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h68H,4-67H2,1-3H3/t68-/m0/s1",KDDKGRYFXLAQIG,JCXMEWFRSA,N,TG(20:0/24:0/24:0),KDDKGRYFXLAQIG-JCXMEWFRSA-N
HMDB45636,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,58H,4-14,16-17,19-57H2,1-3H3/b18-15-/t58-/m1/s1",CUHIXYNYDCAJAK,HNOSMQIWSA,N,TG(20:0/24:0/14:1(9Z)),CUHIXYNYDCAJAK-HNOSMQIWSA-N
HMDB45637,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-/t60-/m1/s1",FOUWGWGSPVWLRF,RXNSVRMPSA,N,TG(20:0/24:0/16:1(9Z)),FOUWGWGSPVWLRF-RXNSVRMPSA-N
HMDB45638,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-/t62-/m1/s1",BUOYABLHBCOQJM,QMNOEWNESA,N,TG(20:0/24:0/18:1(11Z)),BUOYABLHBCOQJM-QMNOEWNESA-N
HMDB45639,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h27,36,62H,4-26,28-35,37-61H2,1-3H3/b36-27-/t62-/m1/s1",RTNFDTOYHSVDGS,QSCYOKGSSA,N,TG(20:0/24:0/18:1(9Z)),RTNFDTOYHSVDGS-QSCYOKGSSA-N
HMDB45640,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26,29,64H,4-25,27-28,30-63H2,1-3H3/b29-26-/t64-/m1/s1",JHCLDJYKLMZYCB,QDZNGOTRSA,N,TG(20:0/24:0/20:1(11Z)),JHCLDJYKLMZYCB-QDZNGOTRSA-N
HMDB45641,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26,29,38,41,47,50,64H,4-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b29-26-,41-38-,50-47-/t64-/m1/s1",JWXSSTREZMNMLA,WUJWAVGMSA,N,"TG(20:0/24:0/20:3(5Z,8Z,11Z))",JWXSSTREZMNMLA-WUJWAVGMSA-N
HMDB45642,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,66H,4-25,27-28,30-65H2,1-3H3/b29-26-/t66-/m0/s1",WQIMCWVNIBTQFD,NGYSADOHSA,N,TG(20:0/24:0/22:1(13Z)),WQIMCWVNIBTQFD-NGYSADOHSA-N
HMDB45643,1085.033692099,C71H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,68H,4-24,26-27,29-67H2,1-3H3/b28-25-/t68-/m0/s1",PZYDORRGBVLBAK,HGLLRIGKSA,N,TG(20:0/24:0/24:1(15Z)),PZYDORRGBVLBAK-HGLLRIGKSA-N
HMDB45644,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,62H,4-17,19-20,22-26,28-35,37-61H2,1-3H3/b21-18-,36-27-/t62-/m1/s1",FCMSXZPUITZQJD,CUUCRUSKSA,N,"TG(20:0/24:0/18:2(9Z,12Z))",FCMSXZPUITZQJD-CUUCRUSKSA-N
HMDB45645,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,42,45,62H,4-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b21-18-,36-27-,45-42-/t62-/m1/s1",PKNAMEWLZAZILJ,MPLBADKSSA,N,"TG(20:0/24:0/18:3(6Z,9Z,12Z))",PKNAMEWLZAZILJ-MPLBADKSSA-N
HMDB45646,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,64H,4-16,18-19,21-25,27-28,30-63H2,1-3H3/b20-17-,29-26-/t64-/m1/s1",OCZPOXOXZXEZBS,RTSIJVPASA,N,TG(20:0/24:0/20:2n6),OCZPOXOXZXEZBS-RTSIJVPASA-N
HMDB45647,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,38,41,64H,4-16,18-19,21-25,27-28,30-37,39-40,42-63H2,1-3H3/b20-17-,29-26-,41-38-/t64-/m1/s1",BASQMDLUKKOGPL,CQQUKVLBSA,N,TG(20:0/24:0/20:3n6),BASQMDLUKKOGPL-CQQUKVLBSA-N
HMDB45648,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,38,41,47,50,64H,4-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,29-26-,41-38-,50-47-/t64-/m1/s1",BMRRTUONJCMAJF,RTNJTHOQSA,N,"TG(20:0/24:0/20:4(5Z,8Z,11Z,14Z))",BMRRTUONJCMAJF-RTNJTHOQSA-N
HMDB45649,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,66H,4-16,18-19,21-25,27-28,30-65H2,1-3H3/b20-17-,29-26-/t66-/m0/s1",RZMJEELRMOVTHK,UGERDDMOSA,N,"TG(20:0/24:0/22:2(13Z,16Z))",RZMJEELRMOVTHK-UGERDDMOSA-N
HMDB45650,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,44,47,66H,4-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,29-26-,38-35-,47-44-/t66-/m0/s1",GOZPWTSEYDAVJZ,ZOCYDMJWSA,N,"TG(20:0/24:0/22:4(7Z,10Z,13Z,16Z))",GOZPWTSEYDAVJZ-ZOCYDMJWSA-N
HMDB45651,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,44,47,53,56,66H,4-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,29-26-,38-35-,47-44-,56-53-/t66-/m0/s1",KHVDDBAXXFROMK,PTQYQRNCSA,N,"TG(20:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",KHVDDBAXXFROMK-PTQYQRNCSA-N
HMDB45652,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-61H2,1-3H3/b12-9-,21-18-,36-27-/t62-/m1/s1",ZZANDGRQOLCTFH,QNRBDIGJSA,N,"TG(20:0/24:0/18:3(9Z,12Z,15Z))",ZZANDGRQOLCTFH-QNRBDIGJSA-N
HMDB45653,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,42,45,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,36-27-,45-42-/t62-/m1/s1",VZMGJDBOOZFLEG,RSRFECMUSA,N,"TG(20:0/24:0/18:4(6Z,9Z,12Z,15Z))",VZMGJDBOOZFLEG-RSRFECMUSA-N
HMDB45654,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,38,41,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,29-26-,41-38-/t64-/m1/s1",RVUOOEACUIEDKX,HDGSYSRNSA,N,"TG(20:0/24:0/20:4(8Z,11Z,14Z,17Z))",RVUOOEACUIEDKX-HDGSYSRNSA-N
HMDB45655,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,29-26-,41-38-,50-47-/t64-/m1/s1",SYVMKIYCSZQYHC,UPWRRYJESA,N,"TG(20:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",SYVMKIYCSZQYHC-UPWRRYJESA-N
HMDB45656,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,44,47,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-65H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,47-44-/t66-/m0/s1",QTCMJEXSZGCEOV,WHOKUDJNSA,N,"TG(20:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",QTCMJEXSZGCEOV-WHOKUDJNSA-N
HMDB45657,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,44,47,53,56,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,47-44-,56-53-/t66-/m0/s1",XOKYREZBDZWDLF,HRYOGHOVSA,N,"TG(20:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XOKYREZBDZWDLF-HRYOGHOVSA-N
HMDB45658,988.976177222,C65H128O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H128O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3/t63-/m1/s1",HWEFVKPWDOITBD,AFLCPGBUSA,N,TG(20:0/24:0/o-18:0),HWEFVKPWDOITBD-AFLCPGBUSA-N
HMDB45659,888.814591188,C57H108O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-",XNLCSBIDDKARLA,SDXDJHTJSA,N,TG(20:0/14:1(9Z)/20:0),XNLCSBIDDKARLA-SDXDJHTJSA-N
HMDB45660,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,56H,4-14,16-17,19-55H2,1-3H3/b18-15-/t56-/m0/s1",SSQAVJZOEYXKJM,YCJNRUSJSA,N,TG(20:0/14:1(9Z)/22:0),SSQAVJZOEYXKJM-YCJNRUSJSA-N
HMDB45661,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,58H,4-14,16-17,19-57H2,1-3H3/b18-15-/t58-/m0/s1",QQCCHIWZARQBPK,JRFLIKMQSA,N,TG(20:0/14:1(9Z)/24:0),QQCCHIWZARQBPK-JRFLIKMQSA-N
HMDB45662,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14-15,17-18,48H,4-13,16,19-47H2,1-3H3/b17-14-,18-15-/t48-/m1/s1",MIFLTTTYYQVJLG,ZYHFKXEVSA,N,TG(20:0/14:1(9Z)/14:1(9Z)),MIFLTTTYYQVJLG-ZYHFKXEVSA-N
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HMDB45682,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,35,38,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,38-35-/t56-/m0/s1",KIFKGVRYHOKLGL,JOVWLOEISA,N,"TG(20:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KIFKGVRYHOKLGL-JOVWLOEISA-N
HMDB45683,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,35,38,43,46,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,38-35-,46-43-/t56-/m0/s1",OGPFVWSBJNVWCT,VGRDNTBASA,N,"TG(20:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OGPFVWSBJNVWCT-VGRDNTBASA-N
HMDB45684,846.804026513,C55H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-/t53-/m1/s1",SMLGQVBONIQUDE,CYEBCEKSSA,N,TG(20:0/14:1(9Z)/o-18:0),SMLGQVBONIQUDE-CYEBCEKSSA-N
HMDB45685,916.845891316,C59H112O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-",VNHABZLRSOJWDZ,FLFQWRMESA,N,TG(20:0/16:1(9Z)/20:0),VNHABZLRSOJWDZ-FLFQWRMESA-N
HMDB45686,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-/t58-/m0/s1",WUAJEXMXYHDKNK,VIQUSSKHSA,N,TG(20:0/16:1(9Z)/22:0),WUAJEXMXYHDKNK-VIQUSSKHSA-N
HMDB45687,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-/t60-/m0/s1",HGCINVBTERQPJG,VZKFWILHSA,N,TG(20:0/16:1(9Z)/24:0),HGCINVBTERQPJG-VZKFWILHSA-N
HMDB45688,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,20,23,50H,4-14,16-17,19,21-22,24-49H2,1-3H3/b18-15-,23-20-/t50-/m1/s1",HAHVPPVRPWNLPZ,KBPAKABXSA,N,TG(20:0/16:1(9Z)/14:1(9Z)),HAHVPPVRPWNLPZ-KBPAKABXSA-N
HMDB45689,858.767640996,C55H102O6,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20-21,23-24,52H,4-19,22,25-51H2,1-3H3/b23-20-,24-21-/t52-/m1/s1",KKJVTOLWRSMFEP,RLVGKUCASA,N,TG(20:0/16:1(9Z)/16:1(9Z)),KKJVTOLWRSMFEP-RLVGKUCASA-N
HMDB45690,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21-/t54-/m1/s1",VNIHZRBFVYRVIM,KXSDLMDJSA,N,TG(20:0/16:1(9Z)/18:1(11Z)),VNIHZRBFVYRVIM-KXSDLMDJSA-N
HMDB45691,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,54H,4-20,22-23,25,27-28,30-53H2,1-3H3/b24-21-,29-26-/t54-/m1/s1",BHCUSYHEKPJLTF,OMJPTUBSSA,N,TG(20:0/16:1(9Z)/18:1(9Z)),BHCUSYHEKPJLTF-OMJPTUBSSA-N
HMDB45692,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-/t56-/m1/s1",CWYJHSJCZIYZKB,HVYAKTSASA,N,TG(20:0/16:1(9Z)/20:1(11Z)),CWYJHSJCZIYZKB-HVYAKTSASA-N
HMDB45693,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,31,34,39,42,56H,4-20,22-23,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b24-21-,27-25-,34-31-,42-39-/t56-/m1/s1",ZWSAVWOKVONHDH,BYCDQLCKSA,N,"TG(20:0/16:1(9Z)/20:3(5Z,8Z,11Z))",ZWSAVWOKVONHDH-BYCDQLCKSA-N
HMDB45694,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,58H,4-20,22-23,26,28-57H2,1-3H3/b24-21-,27-25-/t58-/m0/s1",SQGUGCCVMDVBJZ,RHKJSXQCSA,N,TG(20:0/16:1(9Z)/22:1(13Z)),SQGUGCCVMDVBJZ-RHKJSXQCSA-N
HMDB45695,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,60H,4-20,22-23,26,28-59H2,1-3H3/b24-21-,27-25-/t60-/m0/s1",WPQGJCCBOJSBDL,ZCSYOJTKSA,N,TG(20:0/16:1(9Z)/24:1(15Z)),WPQGJCCBOJSBDL-ZCSYOJTKSA-N
HMDB45696,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,54H,4-16,18-19,22-23,25,27-28,30-53H2,1-3H3/b20-17-,24-21-,29-26-/t54-/m1/s1",BXZBVJMLHIMPCY,YNTROPROSA,N,"TG(20:0/16:1(9Z)/18:2(9Z,12Z))",BXZBVJMLHIMPCY-YNTROPROSA-N
HMDB45697,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,37,54H,4-16,18-19,22-23,25,27-28,30-33,35-36,38-53H2,1-3H3/b20-17-,24-21-,29-26-,37-34-/t54-/m1/s1",OCSXULFZMSSXID,HISUVNPSSA,N,"TG(20:0/16:1(9Z)/18:3(6Z,9Z,12Z))",OCSXULFZMSSXID-HISUVNPSSA-N
HMDB45698,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,56H,4-15,17-18,20,22-23,26,28-55H2,1-3H3/b19-16-,24-21-,27-25-/t56-/m1/s1",JPIBYIFUXBJRQA,HQCAKVFGSA,N,TG(20:0/16:1(9Z)/20:2n6),JPIBYIFUXBJRQA-HQCAKVFGSA-N
HMDB45699,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,34,56H,4-15,17-18,20,22-23,26,28-30,32-33,35-55H2,1-3H3/b19-16-,24-21-,27-25-,34-31-/t56-/m1/s1",HQWFVPAUXPRWCX,GZVXJXNJSA,N,TG(20:0/16:1(9Z)/20:3n6),HQWFVPAUXPRWCX-GZVXJXNJSA-N
HMDB45700,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,34,39,42,56H,4-15,17-18,20,22-23,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b19-16-,24-21-,27-25-,34-31-,42-39-/t56-/m1/s1",IUVBNLMKXXWRMG,ZWHYGXEMSA,N,"TG(20:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",IUVBNLMKXXWRMG-ZWHYGXEMSA-N
HMDB45701,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,58H,4-15,17-18,20,22-23,26,28-57H2,1-3H3/b19-16-,24-21-,27-25-/t58-/m0/s1",NIFYGEMZMKSOKK,TXAPXYFQSA,N,"TG(20:0/16:1(9Z)/22:2(13Z,16Z))",NIFYGEMZMKSOKK-TXAPXYFQSA-N
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HMDB45703,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,37,39,45,48,58H,4-15,17-18,20,22-23,26,28-29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,39-37-,48-45-/t58-/m0/s1",MDKARJXQXJHOAQ,UEBUILBWSA,N,"TG(20:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MDKARJXQXJHOAQ-UEBUILBWSA-N
HMDB45704,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-/t54-/m1/s1",RHCHGASZNFDFNT,GBISFHARSA,N,"TG(20:0/16:1(9Z)/18:3(9Z,12Z,15Z))",RHCHGASZNFDFNT-GBISFHARSA-N
HMDB45705,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-/t54-/m1/s1",IZLQMMZWIGPZNX,UMCZRHFJSA,N,"TG(20:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",IZLQMMZWIGPZNX-UMCZRHFJSA-N
HMDB45706,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,34,56H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,34-31-/t56-/m1/s1",AOSRKYIUNODJNS,AKLYPDQUSA,N,"TG(20:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",AOSRKYIUNODJNS-AKLYPDQUSA-N
HMDB45707,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,34,39,42,56H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,34-31-,42-39-/t56-/m1/s1",IPWGSEHLYWIJOA,JJXAKELCSA,N,"TG(20:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IPWGSEHLYWIJOA-JJXAKELCSA-N
HMDB45708,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,37,39,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-36,38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,39-37-/t58-/m0/s1",WQPBSKQQAPWSAK,GUGGAVNHSA,N,"TG(20:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WQPBSKQQAPWSAK-GUGGAVNHSA-N
HMDB45709,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,37,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,39-37-,48-45-/t58-/m0/s1",WVSHJVMVJAZQMY,OGHKSILLSA,N,"TG(20:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WVSHJVMVJAZQMY-OGHKSILLSA-N
HMDB45710,874.835326642,C57H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,55H,4-20,22-23,25-54H2,1-3H3/b24-21-/t55-/m1/s1",NFECCYXCUXSJJQ,AYMZKUIOSA,N,TG(20:0/16:1(9Z)/o-18:0),NFECCYXCUXSJJQ-AYMZKUIOSA-N
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HMDB45712,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-/t60-/m0/s1",JBGIIZRJUJAGJD,VZKFWILHSA,N,TG(20:0/18:1(11Z)/22:0),JBGIIZRJUJAGJD-VZKFWILHSA-N
HMDB45713,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-/t62-/m0/s1",UCNXLXAONKVZAQ,HNCVWURRSA,N,TG(20:0/18:1(11Z)/24:0),UCNXLXAONKVZAQ-HNCVWURRSA-N
HMDB45714,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-/t52-/m1/s1",OVKKAVQEBVEPDL,ZHYIDQMMSA,N,TG(20:0/18:1(11Z)/14:1(9Z)),OVKKAVQEBVEPDL-ZHYIDQMMSA-N
HMDB45715,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21-/t54-/m1/s1",SRLWAJSVHYIIRY,KXSDLMDJSA,N,TG(20:0/18:1(11Z)/16:1(9Z)),SRLWAJSVHYIIRY-KXSDLMDJSA-N
HMDB45716,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-/t56-/m1/s1",GYPCYQZGNPPXQY,ZLUYPCRLSA,N,TG(20:0/18:1(11Z)/18:1(11Z)),GYPCYQZGNPPXQY-ZLUYPCRLSA-N
HMDB45717,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24,26,30,56H,4-20,22-23,25,27-29,31-55H2,1-3H3/b24-21-,30-26-/t56-/m1/s1",DSLDDCZRINWODJ,XQZFORPWSA,N,TG(20:0/18:1(11Z)/18:1(9Z)),DSLDDCZRINWODJ-XQZFORPWSA-N
HMDB45718,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,58H,4-20,22-23,26-27,29-57H2,1-3H3/b24-21-,28-25-/t58-/m1/s1",WHMKXKHZNZAKLF,XXRULANTSA,N,TG(20:0/18:1(11Z)/20:1(11Z)),WHMKXKHZNZAKLF-XXRULANTSA-N
HMDB45719,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,33,35,41,44,58H,4-20,22-23,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b24-21-,28-25-,35-33-,44-41-/t58-/m1/s1",YMNDWXQHOZTTQG,DBPNIQDOSA,N,"TG(20:0/18:1(11Z)/20:3(5Z,8Z,11Z))",YMNDWXQHOZTTQG-DBPNIQDOSA-N
HMDB45720,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,60H,4-20,22-23,26-27,29-59H2,1-3H3/b24-21-,28-25-/t60-/m0/s1",ONAJSAYDJRBCNQ,WCGXTGDWSA,N,TG(20:0/18:1(11Z)/22:1(13Z)),ONAJSAYDJRBCNQ-WCGXTGDWSA-N
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HMDB45722,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,30,56H,4-16,18-19,22-23,25,27-29,31-55H2,1-3H3/b20-17-,24-21-,30-26-/t56-/m1/s1",WLMHJNWKLOYTGX,JFIUGZSTSA,N,"TG(20:0/18:1(11Z)/18:2(9Z,12Z))",WLMHJNWKLOYTGX-JFIUGZSTSA-N
HMDB45723,910.798941124,C59H106O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,30,36,39,56H,4-16,18-19,22-23,25,27-29,31-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,30-26-,39-36-",GOIWIKMRAHCNKW,OEGKWKMMSA,N,"TG(20:0/18:1(11Z)/18:3(6Z,9Z,12Z))",GOIWIKMRAHCNKW-OEGKWKMMSA-N
HMDB45724,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,58H,4-15,17-18,20,22-23,26-27,29-57H2,1-3H3/b19-16-,24-21-,28-25-/t58-/m1/s1",WNFYWKVDGNONSX,XXMUPYQTSA,N,TG(20:0/18:1(11Z)/20:2n6),WNFYWKVDGNONSX-XXMUPYQTSA-N
HMDB45725,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,33,35,58H,4-15,17-18,20,22-23,26-27,29-32,34,36-57H2,1-3H3/b19-16-,24-21-,28-25-,35-33-/t58-/m1/s1",JWRLQVQWCRUWFY,GKGBZLNTSA,N,TG(20:0/18:1(11Z)/20:3n6),JWRLQVQWCRUWFY-GKGBZLNTSA-N
HMDB45726,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,33,35,41,44,58H,4-15,17-18,20,22-23,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,24-21-,28-25-,35-33-,44-41-/t58-/m1/s1",KTXHVWBRESHEOH,RGRXYVTHSA,N,"TG(20:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",KTXHVWBRESHEOH-RGRXYVTHSA-N
HMDB45727,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,60H,4-15,17-18,20,22-23,26-27,29-59H2,1-3H3/b19-16-,24-21-,28-25-/t60-/m0/s1",MJLWCZOZMFQAGA,LTSCPUBNSA,N,"TG(20:0/18:1(11Z)/22:2(13Z,16Z))",MJLWCZOZMFQAGA-LTSCPUBNSA-N
HMDB45728,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,31,33,38,41,60H,4-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,28-25-,33-31-,41-38-/t60-/m0/s1",YIENLPUFSVQUCG,QUTOEGKMSA,N,"TG(20:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",YIENLPUFSVQUCG-QUTOEGKMSA-N
HMDB45729,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,33-31-,41-38-,50-47-/t60-/m0/s1",OUVOMMBEDVUBQG,ZXZGDFTBSA,N,"TG(20:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OUVOMMBEDVUBQG-ZXZGDFTBSA-N
HMDB45730,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,30,56H,4-7,9-10,12-16,18-19,22-23,25,27-29,31-55H2,1-3H3/b11-8-,20-17-,24-21-,30-26-/t56-/m1/s1",MVYWJJVCBSLNFL,YGOLKDELSA,N,"TG(20:0/18:1(11Z)/18:3(9Z,12Z,15Z))",MVYWJJVCBSLNFL-YGOLKDELSA-N
HMDB45731,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,30,36,39,56H,4-7,9-10,12-16,18-19,22-23,25,27-29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,30-26-,39-36-/t56-/m1/s1",SODXHFJYBHRNCI,ZCTRBFMXSA,N,"TG(20:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",SODXHFJYBHRNCI-ZCTRBFMXSA-N
HMDB45732,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,33,35,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-32,34,36-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-33-/t58-/m1/s1",MLWCLUUIPMODDZ,VSUPIURQSA,N,"TG(20:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",MLWCLUUIPMODDZ-VSUPIURQSA-N
HMDB45733,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,33,35,41,44,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-33-,44-41-/t58-/m1/s1",ZEVMHAQRZOGALY,NTAOSOMOSA,N,"TG(20:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZEVMHAQRZOGALY-NTAOSOMOSA-N
HMDB45734,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,41-38-/t60-/m0/s1",QYDFSMCMLCRFHQ,CTDBYVDHSA,N,"TG(20:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QYDFSMCMLCRFHQ-CTDBYVDHSA-N
HMDB45735,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,41-38-,50-47-/t60-/m0/s1",GAXJORUXYNNTIZ,ADZJPNINSA,N,"TG(20:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GAXJORUXYNNTIZ-ADZJPNINSA-N
HMDB45736,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-/t57-/m1/s1",TWOFGMYMSNEEJX,COAUFNLESA,N,TG(20:0/18:1(11Z)/o-18:0),TWOFGMYMSNEEJX-COAUFNLESA-N
HMDB45737,944.877191444,C61H116O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h27,32,58H,4-26,28-31,33-57H2,1-3H3/b32-27-",DKVNNCNTJJNGFQ,MXNGAVTRSA,N,TG(20:0/18:1(9Z)/20:0),DKVNNCNTJJNGFQ-MXNGAVTRSA-N
HMDB45738,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h27,34,60H,4-26,28-33,35-59H2,1-3H3/b34-27-/t60-/m0/s1",GTQFAXDJIANZMD,JWYLQQGLSA,N,TG(20:0/18:1(9Z)/22:0),GTQFAXDJIANZMD-JWYLQQGLSA-N
HMDB45739,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h27,36,62H,4-26,28-35,37-61H2,1-3H3/b36-27-/t62-/m0/s1",AVRBKTIVTFPPGI,BZAOUTSJSA,N,TG(20:0/18:1(9Z)/24:0),AVRBKTIVTFPPGI-BZAOUTSJSA-N
HMDB45740,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,25,28,52H,4-14,16-17,19-24,26-27,29-51H2,1-3H3/b18-15-,28-25-/t52-/m1/s1",QGSLOGGZIMGOJQ,KOTIVLSZSA,N,TG(20:0/18:1(9Z)/14:1(9Z)),QGSLOGGZIMGOJQ-KOTIVLSZSA-N
HMDB45741,886.798941124,C57H106O6,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,54H,4-20,22-23,25,27-28,30-53H2,1-3H3/b24-21-,29-26-/t54-/m1/s1",INYBBHQUSIBINH,OMJPTUBSSA,N,TG(20:0/18:1(9Z)/16:1(9Z)),INYBBHQUSIBINH-OMJPTUBSSA-N
HMDB45742,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,27,31,56H,4-19,21-22,24-26,28-30,32-55H2,1-3H3/b23-20-,31-27-/t56-/m1/s1",XPLCSZBQAQAYRD,KMMAEHPZSA,N,TG(20:0/18:1(9Z)/18:1(11Z)),XPLCSZBQAQAYRD-KMMAEHPZSA-N
HMDB45743,914.830241252,C59H110O6,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h26-27,30-31,56H,4-25,28-29,32-55H2,1-3H3/b30-26-,31-27-/t56-/m1/s1",JFKGKULDMWLHEK,KMERLIGUSA,N,TG(20:0/18:1(9Z)/18:1(9Z)),JFKGKULDMWLHEK-KMERLIGUSA-N
HMDB45744,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,32,58H,4-24,26,29-31,33-57H2,1-3H3/b28-25-,32-27-/t58-/m1/s1",UKGTYUIMAQPUNI,WLPFSFTESA,N,TG(20:0/18:1(9Z)/20:1(11Z)),UKGTYUIMAQPUNI-WLPFSFTESA-N
HMDB45745,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,32-33,35,41,44,58H,4-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b28-25-,32-27-,35-33-,44-41-/t58-/m1/s1",OEUMFZWSMUCXBP,UTCXMCAGSA,N,"TG(20:0/18:1(9Z)/20:3(5Z,8Z,11Z))",OEUMFZWSMUCXBP-UTCXMCAGSA-N
HMDB45746,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,34,60H,4-24,26,29-33,35-59H2,1-3H3/b28-25-,34-27-/t60-/m0/s1",WKGFMQTYNRBSTK,IZQICMPYSA,N,TG(20:0/18:1(9Z)/22:1(13Z)),WKGFMQTYNRBSTK-IZQICMPYSA-N
HMDB45747,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h25,27-28,36,62H,4-24,26,29-35,37-61H2,1-3H3/b28-25-,36-27-/t62-/m0/s1",GGYOKRGILOJQFK,YVASRYOTSA,N,TG(20:0/18:1(9Z)/24:1(15Z)),GGYOKRGILOJQFK-YVASRYOTSA-N
HMDB45748,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,26-27,30-31,56H,4-16,18-19,21-25,28-29,32-55H2,1-3H3/b20-17-,30-26-,31-27-/t56-/m1/s1",OKJQKAICIYAAKY,HMKAPRTPSA,N,"TG(20:0/18:1(9Z)/18:2(9Z,12Z))",OKJQKAICIYAAKY-HMKAPRTPSA-N
HMDB45749,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,26-27,30-31,36,39,56H,4-16,18-19,21-25,28-29,32-35,37-38,40-55H2,1-3H3/b20-17-,30-26-,31-27-,39-36-/t56-/m1/s1",QNGUOFKZCPLWJS,BPSMECEUSA,N,"TG(20:0/18:1(9Z)/18:3(6Z,9Z,12Z))",QNGUOFKZCPLWJS-BPSMECEUSA-N
HMDB45750,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32,58H,4-15,17-18,20-24,26,29-31,33-57H2,1-3H3/b19-16-,28-25-,32-27-/t58-/m1/s1",SJSPRNUEKGVEFR,JPFWVNQASA,N,TG(20:0/18:1(9Z)/20:2n6),SJSPRNUEKGVEFR-JPFWVNQASA-N
HMDB45751,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32-33,35,58H,4-15,17-18,20-24,26,29-31,34,36-57H2,1-3H3/b19-16-,28-25-,32-27-,35-33-/t58-/m1/s1",ASPJACHPVRBOQP,NSOWXUSTSA,N,TG(20:0/18:1(9Z)/20:3n6),ASPJACHPVRBOQP-NSOWXUSTSA-N
HMDB45752,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32-33,35,41,44,58H,4-15,17-18,20-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b19-16-,28-25-,32-27-,35-33-,44-41-/t58-/m1/s1",ZJLUNTKKKOVNEU,NLRDHRAOSA,N,"TG(20:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",ZJLUNTKKKOVNEU-NLRDHRAOSA-N
HMDB45753,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,34,60H,4-15,17-18,20-24,26,29-33,35-59H2,1-3H3/b19-16-,28-25-,34-27-/t60-/m0/s1",BWVMXRNTJKNLIG,VQWJJQQVSA,N,"TG(20:0/18:1(9Z)/22:2(13Z,16Z))",BWVMXRNTJKNLIG-VQWJJQQVSA-N
HMDB45754,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,38,41,60H,4-15,17-18,20-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,41-38-/t60-/m0/s1",MRZUKESUWGFNGN,FKMGPEFTSA,N,"TG(20:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",MRZUKESUWGFNGN-FKMGPEFTSA-N
HMDB45755,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,38,41,47,50,60H,4-15,17-18,20-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",NLINQQFDCCGNFE,GRHYHTISSA,N,"TG(20:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",NLINQQFDCCGNFE-GRHYHTISSA-N
HMDB45756,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,30-31,56H,4-7,9-10,12-16,18-19,21-25,28-29,32-55H2,1-3H3/b11-8-,20-17-,30-26-,31-27-/t56-/m1/s1",XGPILQZSXGDYEH,VBCYELTASA,N,"TG(20:0/18:1(9Z)/18:3(9Z,12Z,15Z))",XGPILQZSXGDYEH-VBCYELTASA-N
HMDB45757,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,30-31,36,39,56H,4-7,9-10,12-16,18-19,21-25,28-29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,30-26-,31-27-,39-36-/t56-/m1/s1",WRAVNBKIXQKOEL,FVWLGZQYSA,N,"TG(20:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",WRAVNBKIXQKOEL-FVWLGZQYSA-N
HMDB45758,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32-33,35,58H,4-6,8-9,11-15,17-18,20-24,26,29-31,34,36-57H2,1-3H3/b10-7-,19-16-,28-25-,32-27-,35-33-/t58-/m1/s1",VAAHPNGREGFROU,ZMRAVROASA,N,"TG(20:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",VAAHPNGREGFROU-ZMRAVROASA-N
HMDB45759,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32-33,35,41,44,58H,4-6,8-9,11-15,17-18,20-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,28-25-,32-27-,35-33-,44-41-/t58-/m1/s1",FAJLSGCGMKLEQO,ZDSDUBEJSA,N,"TG(20:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FAJLSGCGMKLEQO-ZDSDUBEJSA-N
HMDB45760,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,38,41,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,41-38-/t60-/m0/s1",HLJUWCMJURHSAS,WEMJJBFYSA,N,"TG(20:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HLJUWCMJURHSAS-WEMJJBFYSA-N
HMDB45761,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",WCDLXMNVPYYTGL,LQHHXONWSA,N,"TG(20:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WCDLXMNVPYYTGL-LQHHXONWSA-N
HMDB45762,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h27,31,57H,4-26,28-30,32-56H2,1-3H3/b31-27-/t57-/m1/s1",VRZHAFWZMYJZMD,LKKPSHJRSA,N,TG(20:0/18:1(9Z)/o-18:0),VRZHAFWZMYJZMD-LKKPSHJRSA-N
HMDB45763,972.908491572,C63H120O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,60H,4-26,28-29,31-59H2,1-3H3/b30-27-",VNTAEBMTULPOLY,IKPAITLHSA,N,TG(20:0/20:1(11Z)/20:0),VNTAEBMTULPOLY-IKPAITLHSA-N
HMDB45764,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h27,30,62H,4-26,28-29,31-61H2,1-3H3/b30-27-/t62-/m0/s1",TZLOSVAFXBPUQT,DVFJZQCZSA,N,TG(20:0/20:1(11Z)/22:0),TZLOSVAFXBPUQT-DVFJZQCZSA-N
HMDB45765,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h27,30,64H,4-26,28-29,31-63H2,1-3H3/b30-27-/t64-/m0/s1",FNHRQOLOBUYCMV,JNVPJEGXSA,N,TG(20:0/20:1(11Z)/24:0),FNHRQOLOBUYCMV-JNVPJEGXSA-N
HMDB45766,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,54H,4-14,16-17,19-24,26,28-53H2,1-3H3/b18-15-,27-25-/t54-/m1/s1",FTLWYSHHMPXARV,DJGYBUDPSA,N,TG(20:0/20:1(11Z)/14:1(9Z)),FTLWYSHHMPXARV-DJGYBUDPSA-N
HMDB45767,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,56H,4-20,22-23,25,27,29-55H2,1-3H3/b24-21-,28-26-/t56-/m1/s1",ITRVDAWLKSPAKB,JINDPDDHSA,N,TG(20:0/20:1(11Z)/16:1(9Z)),ITRVDAWLKSPAKB-JINDPDDHSA-N
HMDB45768,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,58H,4-20,22-23,25,27-28,30-57H2,1-3H3/b24-21-,29-26-/t58-/m1/s1",GOUXXLWMYYBHCM,BQAVMZEMSA,N,TG(20:0/20:1(11Z)/18:1(11Z)),GOUXXLWMYYBHCM-BQAVMZEMSA-N
HMDB45769,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,32,58H,4-25,28,30-31,33-57H2,1-3H3/b29-26-,32-27-/t58-/m1/s1",TZJRCHMRWDMDSJ,XQXNXHJYSA,N,TG(20:0/20:1(11Z)/18:1(9Z)),TZJRCHMRWDMDSJ-XQXNXHJYSA-N
HMDB45771,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,34,37,43,46,60H,4-24,26,29,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b28-25-,30-27-,37-34-,46-43-/t60-/m1/s1",RONZIXSUBRLVHU,NLUMJYANSA,N,"TG(20:0/20:1(11Z)/20:3(5Z,8Z,11Z))",RONZIXSUBRLVHU-NLUMJYANSA-N
HMDB45772,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,62H,4-24,26,29,31-61H2,1-3H3/b28-25-,30-27-/t62-/m0/s1",VMKFVWHXSPLWCL,AHULKPKDSA,N,TG(20:0/20:1(11Z)/22:1(13Z)),VMKFVWHXSPLWCL-AHULKPKDSA-N
HMDB45773,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,64H,4-24,26,29,31-63H2,1-3H3/b28-25-,30-27-/t64-/m0/s1",XAWDAORELBRSJO,OXDZHLAISA,N,TG(20:0/20:1(11Z)/24:1(15Z)),XAWDAORELBRSJO-OXDZHLAISA-N
HMDB45774,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,32,58H,4-17,19-20,22-25,28,30-31,33-57H2,1-3H3/b21-18-,29-26-,32-27-/t58-/m1/s1",FBQQXRDCPOBIQG,FQNAFWLOSA,N,"TG(20:0/20:1(11Z)/18:2(9Z,12Z))",FBQQXRDCPOBIQG-FQNAFWLOSA-N
HMDB45775,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,32,38,41,58H,4-17,19-20,22-25,28,30-31,33-37,39-40,42-57H2,1-3H3/b21-18-,29-26-,32-27-,41-38-/t58-/m1/s1",IRPLNLXEUHFALC,FPAGBCFASA,N,"TG(20:0/20:1(11Z)/18:3(6Z,9Z,12Z))",IRPLNLXEUHFALC-FPAGBCFASA-N
HMDB45776,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,60H,4-15,17-18,20-24,26,29,31-59H2,1-3H3/b19-16-,28-25-,30-27-/t60-/m1/s1",IBYMEWUNOCTTRG,RFPMTUJLSA,N,TG(20:0/20:1(11Z)/20:2n6),IBYMEWUNOCTTRG-RFPMTUJLSA-N
HMDB45777,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,37,60H,4-15,17-18,20-24,26,29,31-33,35-36,38-59H2,1-3H3/b19-16-,28-25-,30-27-,37-34-/t60-/m1/s1",JXVMBJGBROTCFP,AIMUIAEOSA,N,TG(20:0/20:1(11Z)/20:3n6),JXVMBJGBROTCFP-AIMUIAEOSA-N
HMDB45779,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,62H,4-15,17-18,20-24,26,29,31-61H2,1-3H3/b19-16-,28-25-,30-27-/t62-/m0/s1",XUSUTHPYEWWQNC,DGXOIPRXSA,N,"TG(20:0/20:1(11Z)/22:2(13Z,16Z))",XUSUTHPYEWWQNC-DGXOIPRXSA-N
HMDB45780,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,32,35,40,43,62H,4-15,17-18,20-24,26,29,31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,30-27-,35-32-,43-40-/t62-/m0/s1",SLCWBOQSHMZVNE,IOFGFWJWSA,N,"TG(20:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",SLCWBOQSHMZVNE-IOFGFWJWSA-N
HMDB45781,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,32,35,40,43,49,52,62H,4-15,17-18,20-24,26,29,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,30-27-,35-32-,43-40-,52-49-/t62-/m0/s1",FZNWZYLCVMFGMX,HESLYTPDSA,N,"TG(20:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FZNWZYLCVMFGMX-HESLYTPDSA-N
HMDB45782,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,32,58H,4-8,10-11,13-17,19-20,22-25,28,30-31,33-57H2,1-3H3/b12-9-,21-18-,29-26-,32-27-/t58-/m1/s1",GYBHIADXUHHABV,PWKHAILISA,N,"TG(20:0/20:1(11Z)/18:3(9Z,12Z,15Z))",GYBHIADXUHHABV-PWKHAILISA-N
HMDB45783,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,32,38,41,58H,4-8,10-11,13-17,19-20,22-25,28,30-31,33-37,39-40,42-57H2,1-3H3/b12-9-,21-18-,29-26-,32-27-,41-38-/t58-/m1/s1",SBGYGLPEACMTRJ,RMAAWXNTSA,N,"TG(20:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",SBGYGLPEACMTRJ-RMAAWXNTSA-N
HMDB45784,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,37,60H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-/t60-/m1/s1",JCKZVXSFNAILPO,YCFXLCDASA,N,"TG(20:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",JCKZVXSFNAILPO-YCFXLCDASA-N
HMDB45785,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,37,43,46,60H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-,46-43-/t60-/m1/s1",IULQMBPZWYNZEZ,KZPSUCHSSA,N,"TG(20:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IULQMBPZWYNZEZ-KZPSUCHSSA-N
HMDB45786,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,32,35,40,43,62H,4-6,8-9,11-15,17-18,20-24,26,29,31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,35-32-,43-40-/t62-/m0/s1",ZTKVWXGQFXQYEG,NQMXBKLCSA,N,"TG(20:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZTKVWXGQFXQYEG-NQMXBKLCSA-N
HMDB45787,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,32,35,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,26,29,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,35-32-,43-40-,52-49-/t62-/m0/s1",XQNZGFGUMSETKN,SGPQZKCVSA,N,"TG(20:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XQNZGFGUMSETKN-SGPQZKCVSA-N
HMDB45788,930.8979269,C61H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,59H,4-25,27-28,30-58H2,1-3H3/b29-26-/t59-/m1/s1",NJIZIGCWFXXGOO,RTYNVOTGSA,N,TG(20:0/20:1(11Z)/o-18:0),NJIZIGCWFXXGOO-RTYNVOTGSA-N
HMDB45789,968.877191444,C63H116O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,36,39,45,48,60H,4-26,28-29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b30-27-,39-36-,48-45-",PVLPTPLTYBYKPQ,CIBUDVKLSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/20:0)",PVLPTPLTYBYKPQ-CIBUDVKLSA-N
HMDB45790,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h27,30,38,41,47,50,62H,4-26,28-29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b30-27-,41-38-,50-47-/t62-/m0/s1",YHMHHKUNYPYQOR,FXKNJSSWSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/22:0)",YHMHHKUNYPYQOR-FXKNJSSWSA-N
HMDB45791,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h27,30,40,43,49,52,64H,4-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b30-27-,43-40-,52-49-/t64-/m0/s1",LUZRKKKZDYPPDG,HHOUKCHBSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/24:0)",LUZRKKKZDYPPDG-HHOUKCHBSA-N
HMDB45792,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,31,33,39,42,54H,4-14,16-17,19-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b18-15-,27-25-,33-31-,42-39-/t54-/m1/s1",IQHVYGKMAJFIAG,UDNSWGMWSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/14:1(9Z))",IQHVYGKMAJFIAG-UDNSWGMWSA-N
HMDB45793,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,32,35,41,44,56H,4-20,22-23,25,27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b24-21-,28-26-,35-32-,44-41-/t56-/m1/s1",UHICHSQHWFAKGA,ICUMZSFRSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/16:1(9Z))",UHICHSQHWFAKGA-ICUMZSFRSA-N
HMDB45794,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,34,37,43,46,58H,4-20,22-23,25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b24-21-,29-26-,37-34-,46-43-/t58-/m1/s1",SNADIPNNRGNXJQ,LDZBZALLSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/18:1(11Z))",SNADIPNNRGNXJQ-LDZBZALLSA-N
HMDB45795,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,32,34,37,43,46,58H,4-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",UBKZOPGBBSBRBG,YBYPFBBNSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/18:1(9Z))",UBKZOPGBBSBRBG-YBYPFBBNSA-N
HMDB45796,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,36,39,45,48,60H,4-24,26,29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b28-25-,30-27-,39-36-,48-45-/t60-/m1/s1",PTBZUJYXYHDLML,MRMDCCRFSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/20:1(11Z))",PTBZUJYXYHDLML-MRMDCCRFSA-N
HMDB45797,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,34,36-37,39,43,45-46,48,60H,4-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",OUVCXSDTWMPGJT,VJGZYCBRSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",OUVCXSDTWMPGJT-VJGZYCBRSA-N
HMDB45798,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,38,41,47,50,62H,4-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b28-25-,30-27-,41-38-,50-47-/t62-/m0/s1",IUEZOISHNVVHOE,JVUDATSYSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/22:1(13Z))",IUEZOISHNVVHOE-JVUDATSYSA-N
HMDB45799,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,40,43,49,52,64H,4-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b28-25-,30-27-,43-40-,52-49-/t64-/m0/s1",JYFZICLEDWGGRM,SOFRQYNXSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/24:1(15Z))",JYFZICLEDWGGRM-SOFRQYNXSA-N
HMDB45800,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,32,34,37,43,46,58H,4-17,19-20,22-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b21-18-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",GANCNBLRJDKXHL,PRJFQXKKSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",GANCNBLRJDKXHL-PRJFQXKKSA-N
HMDB45801,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,32,34,37-38,41,43,46,58H,4-17,19-20,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b21-18-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",LBVXCQSKNGKNSI,CYKUTCGTSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",LBVXCQSKNGKNSI-CYKUTCGTSA-N
HMDB45802,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,36,39,45,48,60H,4-15,17-18,20-24,26,29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,30-27-,39-36-,48-45-/t60-/m1/s1",KJJSZLIZMYZLOM,MPDWUWBESA,N,"TG(20:0/20:3(5Z,8Z,11Z)/20:2n6)",KJJSZLIZMYZLOM-MPDWUWBESA-N
HMDB45803,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,36-37,39,45,48,60H,4-15,17-18,20-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",DIKJEMPGNQDBCI,QANQIHCHSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/20:3n6)",DIKJEMPGNQDBCI-QANQIHCHSA-N
HMDB45804,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-15,17-18,20-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",YFAJBCJGYMUEKS,CTJGIVJTSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",YFAJBCJGYMUEKS-CTJGIVJTSA-N
HMDB45805,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,38,41,47,50,62H,4-15,17-18,20-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b19-16-,28-25-,30-27-,41-38-,50-47-/t62-/m0/s1",CSNVPKWVGWGQHJ,NLDSJOAUSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",CSNVPKWVGWGQHJ-NLDSJOAUSA-N
HMDB45806,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-15,17-18,20-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b19-16-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",BYBCIJYAGFTTSG,HPIXAKCTSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",BYBCIJYAGFTTSG-HPIXAKCTSA-N
HMDB45807,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-15,17-18,20-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b19-16-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",MSCGNXRSAGPJEE,LAOUFBHWSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MSCGNXRSAGPJEE-LAOUFBHWSA-N
HMDB45808,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,32,34,37,43,46,58H,4-8,10-11,13-17,19-20,22-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b12-9-,21-18-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",SFTXHEZMFQJPAQ,SUYAESMNSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",SFTXHEZMFQJPAQ-SUYAESMNSA-N
HMDB45809,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,32,34,37-38,41,43,46,58H,4-8,10-11,13-17,19-20,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b12-9-,21-18-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",ZUPCTUUYPPHGHL,RLQTVEJKSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",ZUPCTUUYPPHGHL-RLQTVEJKSA-N
HMDB45810,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,36-37,39,45,48,60H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",BYJLLOOAEKLBHR,XZLSNHTPSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",BYJLLOOAEKLBHR-XZLSNHTPSA-N
HMDB45811,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",USSQANBAQNQTNC,MFLWDYDXSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",USSQANBAQNQTNC-MFLWDYDXSA-N
HMDB45812,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,17-18,20-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",QGCNYZGHZPMNJE,TUDYKSLKSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QGCNYZGHZPMNJE-TUDYKSLKSA-N
HMDB45813,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8-9,11-15,17-18,20-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",IDUTVHFYQAGZJE,NEXKQXNRSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IDUTVHFYQAGZJE-NEXKQXNRSA-N
HMDB45814,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,34,37,43,46,59H,4-25,27-28,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b29-26-,37-34-,46-43-/t59-/m1/s1",IIYQJRSPWUCSDM,WBDMOENVSA,N,"TG(20:0/20:3(5Z,8Z,11Z)/o-18:0)",IIYQJRSPWUCSDM-WBDMOENVSA-N
HMDB45815,1000.9397917,C65H124O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-",BSBFUDLYTWGUQF,FVDSYPCUSA,N,TG(20:0/22:1(13Z)/20:0),BSBFUDLYTWGUQF-FVDSYPCUSA-N
HMDB45816,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,64H,4-25,27-28,30-63H2,1-3H3/b29-26-/t64-/m0/s1",NFHFQRXOYQVPBP,ARILNZPQSA,N,TG(20:0/22:1(13Z)/22:0),NFHFQRXOYQVPBP-ARILNZPQSA-N
HMDB45817,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,66H,4-25,27-28,30-65H2,1-3H3/b29-26-/t66-/m0/s1",YCTWKNKJBYSVFP,NGYSADOHSA,N,TG(20:0/22:1(13Z)/24:0),YCTWKNKJBYSVFP-NGYSADOHSA-N
HMDB45818,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,56H,4-14,16-17,19-23,25,27-55H2,1-3H3/b18-15-,26-24-/t56-/m1/s1",SLVVTLNMFWVJDL,HYQPEPIUSA,N,TG(20:0/22:1(13Z)/14:1(9Z)),SLVVTLNMFWVJDL-HYQPEPIUSA-N
HMDB45819,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,58H,4-20,22-23,26,28-57H2,1-3H3/b24-21-,27-25-/t58-/m1/s1",LNRRWLSKAQDUBR,GDBZVGQESA,N,TG(20:0/22:1(13Z)/16:1(9Z)),LNRRWLSKAQDUBR-GDBZVGQESA-N
HMDB45820,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,60H,4-20,22-23,26-27,29-59H2,1-3H3/b24-21-,28-25-/t60-/m1/s1",LDNPYIZUVHLDLV,YKBWBIOFSA,N,TG(20:0/22:1(13Z)/18:1(11Z)),LDNPYIZUVHLDLV-YKBWBIOFSA-N
HMDB45821,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,34,60H,4-24,26,29-33,35-59H2,1-3H3/b28-25-,34-27-/t60-/m1/s1",FOOGDTKNQFZILE,ICJFQMIVSA,N,TG(20:0/22:1(13Z)/18:1(9Z)),FOOGDTKNQFZILE-ICJFQMIVSA-N
HMDB45822,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-/t62-/m1/s1",RFYJKRFPKQOMEH,HGNSZHJSSA,N,TG(20:0/22:1(13Z)/20:1(11Z)),RFYJKRFPKQOMEH-HGNSZHJSSA-N
HMDB45823,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h25-26,28-29,36,39,45,48,62H,4-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b28-25-,29-26-,39-36-,48-45-/t62-/m1/s1",PIHGOFKFDIMHFW,GFZKQYIVSA,N,"TG(20:0/22:1(13Z)/20:3(5Z,8Z,11Z))",PIHGOFKFDIMHFW-GFZKQYIVSA-N
HMDB45824,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-/t64-/m0/s1",UFDUZBRFAVZETN,GALFXKOHSA,N,TG(20:0/22:1(13Z)/22:1(13Z)),UFDUZBRFAVZETN-GALFXKOHSA-N
HMDB45825,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-/t66-/m0/s1",ZFPDGKVORHPHTM,HTLSSGDLSA,N,TG(20:0/22:1(13Z)/24:1(15Z)),ZFPDGKVORHPHTM-HTLSSGDLSA-N
HMDB45826,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,34,60H,4-17,19-20,22-24,26,29-33,35-59H2,1-3H3/b21-18-,28-25-,34-27-/t60-/m1/s1",SBRSQEIFWNUOMV,LIPCYRNNSA,N,"TG(20:0/22:1(13Z)/18:2(9Z,12Z))",SBRSQEIFWNUOMV-LIPCYRNNSA-N
HMDB45827,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,34,40,43,60H,4-17,19-20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b21-18-,28-25-,34-27-,43-40-/t60-/m1/s1",RRCHFUDCOMJONU,SFBWWLFMSA,N,"TG(20:0/22:1(13Z)/18:3(6Z,9Z,12Z))",RRCHFUDCOMJONU-SFBWWLFMSA-N
HMDB45828,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,62H,4-16,18-19,21-24,27,30-61H2,1-3H3/b20-17-,28-25-,29-26-/t62-/m1/s1",UMVJJZMNRKTPCI,LXMQAQNNSA,N,TG(20:0/22:1(13Z)/20:2n6),UMVJJZMNRKTPCI-LXMQAQNNSA-N
HMDB45829,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,36,39,62H,4-16,18-19,21-24,27,30-35,37-38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,39-36-/t62-/m1/s1",TXZRFMXFOFPJHM,PUBYDFFJSA,N,TG(20:0/22:1(13Z)/20:3n6),TXZRFMXFOFPJHM-PUBYDFFJSA-N
HMDB45830,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,36,39,45,48,62H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-/t62-/m1/s1",PSSQLAVSJQNKBQ,MSMPKMDJSA,N,"TG(20:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",PSSQLAVSJQNKBQ-MSMPKMDJSA-N
HMDB45831,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,64H,4-15,17-18,20-24,27,30-63H2,1-3H3/b19-16-,28-25-,29-26-/t64-/m0/s1",BAQIPYDAXVAUFO,UWVLYTMRSA,N,"TG(20:0/22:1(13Z)/22:2(13Z,16Z))",BAQIPYDAXVAUFO-UWVLYTMRSA-N
HMDB45832,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,42,45,64H,4-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,45-42-/t64-/m0/s1",ZQSUKELPWBOBPL,AERHCUCLSA,N,"TG(20:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",ZQSUKELPWBOBPL-AERHCUCLSA-N
HMDB45833,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,42,45,51,54,64H,4-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,45-42-,54-51-/t64-/m0/s1",PPOZBVLTHNYXDW,DKUDEGPJSA,N,"TG(20:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PPOZBVLTHNYXDW-DKUDEGPJSA-N
HMDB45834,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,34,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-/t60-/m1/s1",SFWGKPGCJSVXCM,HWMIBPLFSA,N,"TG(20:0/22:1(13Z)/18:3(9Z,12Z,15Z))",SFWGKPGCJSVXCM-HWMIBPLFSA-N
HMDB45835,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,34,40,43,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-,43-40-/t60-/m1/s1",ZVAZRCNQDGGHIY,LRVAFUCOSA,N,"TG(20:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",ZVAZRCNQDGGHIY-LRVAFUCOSA-N
HMDB45836,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,36,39,62H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-/t62-/m1/s1",OWYCQTJHWRYPKW,FXCCIMOHSA,N,"TG(20:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",OWYCQTJHWRYPKW-FXCCIMOHSA-N
HMDB45837,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-/t62-/m1/s1",XASRQTJVCSZBKE,WPWZRLEJSA,N,"TG(20:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XASRQTJVCSZBKE-WPWZRLEJSA-N
HMDB45838,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,42,45,64H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,45-42-/t64-/m0/s1",FTJAZFVLXSCYBJ,ZUKLDMNKSA,N,"TG(20:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FTJAZFVLXSCYBJ-ZUKLDMNKSA-N
HMDB45839,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,42,45,51,54,64H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,45-42-,54-51-/t64-/m0/s1",DWYOPOASEMCPRA,RIDORXFXSA,N,"TG(20:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DWYOPOASEMCPRA-RIDORXFXSA-N
HMDB45840,958.929227028,C63H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-/t61-/m1/s1",CLLQMHIUPLJSCO,NYRYLARASA,N,TG(20:0/22:1(13Z)/o-18:0),CLLQMHIUPLJSCO-NYRYLARASA-N
HMDB45841,1028.971091828,C67H128O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-",KIHJXXXARJYGBC,FVDSYPCUSA,N,TG(20:0/24:1(15Z)/20:0),KIHJXXXARJYGBC-FVDSYPCUSA-N
HMDB45842,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,66H,4-24,26-27,29-65H2,1-3H3/b28-25-/t66-/m0/s1",ODOWRDPGAIXTHI,UMXKIVGISA,N,TG(20:0/24:1(15Z)/22:0),ODOWRDPGAIXTHI-UMXKIVGISA-N
HMDB45843,1085.033692099,C71H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,68H,4-25,27-28,30-67H2,1-3H3/b29-26-/t68-/m0/s1",ODFKWKXYAYTHEH,YAMMOTOXSA,N,TG(20:0/24:1(15Z)/24:0),ODFKWKXYAYTHEH-YAMMOTOXSA-N
HMDB45844,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,58H,4-14,16-17,19-23,25,27-57H2,1-3H3/b18-15-,26-24-/t58-/m1/s1",ALNNHOFYSWAINZ,VGBMWCSKSA,N,TG(20:0/24:1(15Z)/14:1(9Z)),ALNNHOFYSWAINZ-VGBMWCSKSA-N
HMDB45845,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,60H,4-20,22-23,26,28-59H2,1-3H3/b24-21-,27-25-/t60-/m1/s1",DIWDNTROQQFMKS,OUQKOPBSSA,N,TG(20:0/24:1(15Z)/16:1(9Z)),DIWDNTROQQFMKS-OUQKOPBSSA-N
HMDB45846,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,62H,4-20,22-23,26-27,29-61H2,1-3H3/b24-21-,28-25-/t62-/m1/s1",UFRSSTDIWLOKRM,PYAYOEKTSA,N,TG(20:0/24:1(15Z)/18:1(11Z)),UFRSSTDIWLOKRM-PYAYOEKTSA-N
HMDB45847,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h25,27-28,36,62H,4-24,26,29-35,37-61H2,1-3H3/b28-25-,36-27-/t62-/m1/s1",GTPBKVFXVSIGAW,DCMTVOPCSA,N,TG(20:0/24:1(15Z)/18:1(9Z)),GTPBKVFXVSIGAW-DCMTVOPCSA-N
HMDB45848,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-/t64-/m1/s1",KVNCPWVBULFLMB,XZZXZTSCSA,N,TG(20:0/24:1(15Z)/20:1(11Z)),KVNCPWVBULFLMB-XZZXZTSCSA-N
HMDB45849,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25-26,28-29,38,41,47,50,64H,4-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b28-25-,29-26-,41-38-,50-47-/t64-/m1/s1",JZAXFFXDLBXODU,RXPDCJBGSA,N,"TG(20:0/24:1(15Z)/20:3(5Z,8Z,11Z))",JZAXFFXDLBXODU-RXPDCJBGSA-N
HMDB45850,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-/t66-/m0/s1",UDFFSZAGEINAFP,HTLSSGDLSA,N,TG(20:0/24:1(15Z)/22:1(13Z)),UDFFSZAGEINAFP-HTLSSGDLSA-N
HMDB45851,1083.018042035,C71H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,68H,4-24,27,30-67H2,1-3H3/b28-25-,29-26-/t68-/m0/s1",IHWKTZFXQVRIHN,SXYWUVMPSA,N,TG(20:0/24:1(15Z)/24:1(15Z)),IHWKTZFXQVRIHN-SXYWUVMPSA-N
HMDB45852,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,62H,4-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b21-18-,28-25-,36-27-/t62-/m1/s1",LFWMAGVGPBIEMY,VIRZPCQBSA,N,"TG(20:0/24:1(15Z)/18:2(9Z,12Z))",LFWMAGVGPBIEMY-VIRZPCQBSA-N
HMDB45853,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,42,45,62H,4-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,36-27-,45-42-/t62-/m1/s1",CPXJGQVHDYHGJW,BOKIDYLASA,N,"TG(20:0/24:1(15Z)/18:3(6Z,9Z,12Z))",CPXJGQVHDYHGJW-BOKIDYLASA-N
HMDB45854,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,64H,4-16,18-19,21-24,27,30-63H2,1-3H3/b20-17-,28-25-,29-26-/t64-/m1/s1",ONLDCPOQQZFXCD,VIKFBVAMSA,N,TG(20:0/24:1(15Z)/20:2n6),ONLDCPOQQZFXCD-VIKFBVAMSA-N
HMDB45855,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,38,41,64H,4-16,18-19,21-24,27,30-37,39-40,42-63H2,1-3H3/b20-17-,28-25-,29-26-,41-38-/t64-/m1/s1",DRLBZIYTXYZHHF,JYOIVXMMSA,N,TG(20:0/24:1(15Z)/20:3n6),DRLBZIYTXYZHHF-JYOIVXMMSA-N
HMDB45856,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,38,41,47,50,64H,4-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,28-25-,29-26-,41-38-,50-47-/t64-/m1/s1",PNVVRPSDQTWXPD,ZBIPHPGZSA,N,"TG(20:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",PNVVRPSDQTWXPD-ZBIPHPGZSA-N
HMDB45857,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,66H,4-16,18-19,21-24,27,30-65H2,1-3H3/b20-17-,28-25-,29-26-/t66-/m0/s1",RGQYCTOQRMXNED,OLUZHVHFSA,N,"TG(20:0/24:1(15Z)/22:2(13Z,16Z))",RGQYCTOQRMXNED-OLUZHVHFSA-N
HMDB45858,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,44,47,66H,4-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,47-44-/t66-/m0/s1",WBCGRXPOFTVUOY,YHBIHFMISA,N,"TG(20:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",WBCGRXPOFTVUOY-YHBIHFMISA-N
HMDB45859,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,44,47,53,56,66H,4-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,47-44-,56-53-/t66-/m0/s1",OPNMJHMBSBAFJU,HHMJYBLISA,N,"TG(20:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OPNMJHMBSBAFJU-HHMJYBLISA-N
HMDB45860,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-/t62-/m1/s1",VHTIIYLOKBQXBO,LKWUKGODSA,N,"TG(20:0/24:1(15Z)/18:3(9Z,12Z,15Z))",VHTIIYLOKBQXBO-LKWUKGODSA-N
HMDB45861,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-,45-42-/t62-/m1/s1",HYQJMRKXHFTYGK,SRJOKPMTSA,N,"TG(20:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",HYQJMRKXHFTYGK-SRJOKPMTSA-N
HMDB45862,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,38,41,64H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-/t64-/m1/s1",CPJAYDYIBXCXBU,FPVSQKQBSA,N,"TG(20:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",CPJAYDYIBXCXBU-FPVSQKQBSA-N
HMDB45863,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-,50-47-/t64-/m1/s1",SXNRMCJGRFSEQG,QDQSKHKUSA,N,"TG(20:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SXNRMCJGRFSEQG-QDQSKHKUSA-N
HMDB45864,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,44,47,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,47-44-/t66-/m0/s1",VQWCCPIMHVPSMV,GEOJPTMOSA,N,"TG(20:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VQWCCPIMHVPSMV-GEOJPTMOSA-N
HMDB45865,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,44,47,53,56,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,47-44-,56-53-/t66-/m0/s1",HYTUDDQXCTWTQB,OJWJPISVSA,N,"TG(20:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HYTUDDQXCTWTQB-OJWJPISVSA-N
HMDB45866,986.960527157,C65H126O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-/t63-/m1/s1",SNHVAKALGBRQCS,QJXSGVRKSA,N,TG(20:0/24:1(15Z)/o-18:0),SNHVAKALGBRQCS-QJXSGVRKSA-N
HMDB45867,942.861541391,C61H114O6,[H]C(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,32,58H,4-17,19-20,22-26,28-31,33-57H2,1-3H3/b21-18-,32-27-",CGYUWASKRWCFSH,GQHREOFGSA,N,"TG(20:0/18:2(9Z,12Z)/20:0)",CGYUWASKRWCFSH-GQHREOFGSA-N
HMDB45868,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,34,60H,4-17,19-20,22-26,28-33,35-59H2,1-3H3/b21-18-,34-27-/t60-/m0/s1",OEZPDJIPJQTNAB,NICHQRLMSA,N,"TG(20:0/18:2(9Z,12Z)/22:0)",OEZPDJIPJQTNAB-NICHQRLMSA-N
HMDB45869,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,62H,4-17,19-20,22-26,28-35,37-61H2,1-3H3/b21-18-,36-27-/t62-/m0/s1",CHCMYLJMFQPMNU,CKJIPDDKSA,N,"TG(20:0/18:2(9Z,12Z)/24:0)",CHCMYLJMFQPMNU-CKJIPDDKSA-N
HMDB45870,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,28,52H,4-14,16,19,21-24,26-27,29-51H2,1-3H3/b18-15-,20-17-,28-25-/t52-/m1/s1",SESIDPZYQNXGDB,MMLIVBKMSA,N,"TG(20:0/18:2(9Z,12Z)/14:1(9Z))",SESIDPZYQNXGDB-MMLIVBKMSA-N
HMDB45871,884.78329106,C57H104O6,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,54H,4-16,18-19,22-23,25,27-28,30-53H2,1-3H3/b20-17-,24-21-,29-26-/t54-/m1/s1",MSQBYCWSXAUJHK,YNTROPROSA,N,"TG(20:0/18:2(9Z,12Z)/16:1(9Z))",MSQBYCWSXAUJHK-YNTROPROSA-N
HMDB45872,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,31,56H,4-17,19,22,24-26,28-30,32-55H2,1-3H3/b21-18-,23-20-,31-27-/t56-/m1/s1",LAWKXLZWKBKYSO,TWNRSSRZSA,N,"TG(20:0/18:2(9Z,12Z)/18:1(11Z))",LAWKXLZWKBKYSO-TWNRSSRZSA-N
HMDB45873,912.814591188,C59H108O6,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,26-27,30-31,56H,4-17,19-20,22-25,28-29,32-55H2,1-3H3/b21-18-,30-26-,31-27-/t56-/m1/s1",ODTSMODPVGNVHB,BNWGWPBMSA,N,"TG(20:0/18:2(9Z,12Z)/18:1(9Z))",ODTSMODPVGNVHB-BNWGWPBMSA-N
HMDB45874,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32,58H,4-17,19-20,22-24,26,29-31,33-57H2,1-3H3/b21-18-,28-25-,32-27-/t58-/m1/s1",FHUKVTWUCRMUNV,MSTBSTCSSA,N,"TG(20:0/18:2(9Z,12Z)/20:1(11Z))",FHUKVTWUCRMUNV-MSTBSTCSSA-N
HMDB45875,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32-33,35,41,44,58H,4-17,19-20,22-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b21-18-,28-25-,32-27-,35-33-,44-41-/t58-/m1/s1",QVCAWGLCQAOMBH,QEIOILMCSA,N,"TG(20:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",QVCAWGLCQAOMBH-QEIOILMCSA-N
HMDB45876,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,34,60H,4-17,19-20,22-24,26,29-33,35-59H2,1-3H3/b21-18-,28-25-,34-27-/t60-/m0/s1",BMLXKVIKPFXMLY,BHDVDUMOSA,N,"TG(20:0/18:2(9Z,12Z)/22:1(13Z))",BMLXKVIKPFXMLY-BHDVDUMOSA-N
HMDB45877,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,62H,4-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b21-18-,28-25-,36-27-/t62-/m0/s1",NFKHKMCQDXONQQ,KHTZIGEASA,N,"TG(20:0/18:2(9Z,12Z)/24:1(15Z))",NFKHKMCQDXONQQ-KHTZIGEASA-N
HMDB45878,910.798941124,C59H106O6,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,30-31,56H,4-16,19,22-25,28-29,32-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-/t56-/m1/s1",VWXJLMSFRQUUMS,SSLMJEBCSA,N,"TG(20:0/18:2(9Z,12Z)/18:2(9Z,12Z))",VWXJLMSFRQUUMS-SSLMJEBCSA-N
HMDB45879,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,30-31,36,39,56H,4-16,19,22-25,28-29,32-35,37-38,40-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,39-36-/t56-/m1/s1",DSBXMHDCPKMHDO,ZRKABFKGSA,N,"TG(20:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",DSBXMHDCPKMHDO-ZRKABFKGSA-N
HMDB45880,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,58H,4-15,17,20,22-24,26,29-31,33-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-/t58-/m1/s1",UOXUZNWTFAUUEA,WFPLXBQESA,N,"TG(20:0/18:2(9Z,12Z)/20:2n6)",UOXUZNWTFAUUEA-WFPLXBQESA-N
HMDB45881,950.830241252,C62H110O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,33-34,36,59H,4-15,17-18,20,22-23,26-27,29,31-32,35,37-58H2,1-3H3/b19-16-,24-21-,28-25-,33-30-,36-34-",CYWJTKNGIUPQIZ,WZOCOYSYSA,N,"TG(20:0/18:2(9Z,12Z)/20:3n6)",CYWJTKNGIUPQIZ-WZOCOYSYSA-N
HMDB45882,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,35,41,44,58H,4-15,17,20,22-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,35-33-,44-41-/t58-/m1/s1",IOVHLJKSTACNII,CGIJWNLXSA,N,"TG(20:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",IOVHLJKSTACNII-CGIJWNLXSA-N
HMDB45883,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,60H,4-15,17,20,22-24,26,29-33,35-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-/t60-/m0/s1",LUAVDZZOBREHQN,JBYCBOJFSA,N,"TG(20:0/18:2(9Z,12Z)/22:2(13Z,16Z))",LUAVDZZOBREHQN-JBYCBOJFSA-N
HMDB45884,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,41,60H,4-15,17,20,22-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-/t60-/m0/s1",MYYKNWKDBLPJRV,XBEKDICWSA,N,"TG(20:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",MYYKNWKDBLPJRV-XBEKDICWSA-N
HMDB45885,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,41,47,50,60H,4-15,17,20,22-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",SVBSJRZXKICDJG,LUQOUDIXSA,N,"TG(20:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SVBSJRZXKICDJG-LUQOUDIXSA-N
HMDB45886,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,30-31,56H,4-7,9-10,12-16,19,22-25,28-29,32-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-/t56-/m1/s1",PXMOAJHWWUIVNH,WLPTWOSKSA,N,"TG(20:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",PXMOAJHWWUIVNH-WLPTWOSKSA-N
HMDB45887,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,30-31,36,39,56H,4-7,9-10,12-16,19,22-25,28-29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-,39-36-/t56-/m1/s1",KOHUPESDGUSWQH,RWGBVZAYSA,N,"TG(20:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",KOHUPESDGUSWQH-RWGBVZAYSA-N
HMDB45888,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,35,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34,36-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,35-33-/t58-/m1/s1",IPKRHMOBRZQYHD,XEVDLFRVSA,N,"TG(20:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",IPKRHMOBRZQYHD-XEVDLFRVSA-N
HMDB45889,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,35,41,44,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,35-33-,44-41-/t58-/m1/s1",XTZKQPKBIJWBGQ,KRNZQEDZSA,N,"TG(20:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XTZKQPKBIJWBGQ-KRNZQEDZSA-N
HMDB45890,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,41,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-/t60-/m0/s1",AGEGKFKHQPGJJW,NWUVNAKFSA,N,"TG(20:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AGEGKFKHQPGJJW-NWUVNAKFSA-N
HMDB45891,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",JIWBKNDEFSQJBT,OAQBWKPISA,N,"TG(20:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JIWBKNDEFSQJBT-OAQBWKPISA-N
HMDB45892,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h18,21,27,31,57H,4-17,19-20,22-26,28-30,32-56H2,1-3H3/b21-18-,31-27-/t57-/m1/s1",KUWZMMMTHHIVEK,KLWJSLDDSA,N,"TG(20:0/18:2(9Z,12Z)/o-18:0)",KUWZMMMTHHIVEK-KLWJSLDDSA-N
HMDB45893,940.845891316,C61H112O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,32,40,43,58H,4-17,19-20,22-26,28-31,33-39,41-42,44-57H2,1-3H3/b21-18-,32-27-,43-40-",JZQMWAXRJJGBMX,WROZEIRXSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/20:0)",JZQMWAXRJJGBMX-WROZEIRXSA-N
HMDB45894,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,34,42,45,60H,4-17,19-20,22-26,28-33,35-41,43-44,46-59H2,1-3H3/b21-18-,34-27-,45-42-/t60-/m0/s1",ZYPBECLJEJXDCU,AQTWNSRJSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/22:0)",ZYPBECLJEJXDCU-AQTWNSRJSA-N
HMDB45895,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,44,47,62H,4-17,19-20,22-26,28-35,37-43,45-46,48-61H2,1-3H3/b21-18-,36-27-,47-44-/t62-/m0/s1",AUOPWWFGOYZMCI,FUQVGELSSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/24:0)",AUOPWWFGOYZMCI-FUQVGELSSA-N
HMDB45896,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,28,34,37,52H,4-14,16,19,21-24,26-27,29-33,35-36,38-51H2,1-3H3/b18-15-,20-17-,28-25-,37-34-/t52-/m1/s1",MGSBTOPMZSCVHO,BZELGPTESA,N,"TG(20:0/18:3(6Z,9Z,12Z)/14:1(9Z))",MGSBTOPMZSCVHO-BZELGPTESA-N
HMDB45897,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,36,39,54H,4-16,18-19,22-23,25,27-28,30-35,37-38,40-53H2,1-3H3/b20-17-,24-21-,29-26-,39-36-/t54-/m1/s1",CDDMLDFHOOIDDR,IKVHAPJZSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/16:1(9Z))",CDDMLDFHOOIDDR-IKVHAPJZSA-N
HMDB45898,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,31,38,41,56H,4-17,19,22,24-26,28-30,32-37,39-40,42-55H2,1-3H3/b21-18-,23-20-,31-27-,41-38-/t56-/m1/s1",XUHMHFQJOAZQOE,XOAUWBPBSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/18:1(11Z))",XUHMHFQJOAZQOE-XOAUWBPBSA-N
HMDB45899,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,26-27,30-31,38,41,56H,4-17,19-20,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b21-18-,30-26-,31-27-,41-38-/t56-/m1/s1",HSFZHYSDNRHMOC,KMKPIZSISA,N,"TG(20:0/18:3(6Z,9Z,12Z)/18:1(9Z))",HSFZHYSDNRHMOC-KMKPIZSISA-N
HMDB45900,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32,40,43,58H,4-17,19-20,22-24,26,29-31,33-39,41-42,44-57H2,1-3H3/b21-18-,28-25-,32-27-,43-40-/t58-/m1/s1",VCXHGFGBKAVNAO,DMIGSALDSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/20:1(11Z))",VCXHGFGBKAVNAO-DMIGSALDSA-N
HMDB45901,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32-33,35,40-41,43-44,58H,4-17,19-20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b21-18-,28-25-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",WAXQEPGWHWBPBU,COIJVXJRSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",WAXQEPGWHWBPBU-COIJVXJRSA-N
HMDB45902,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,34,42,45,60H,4-17,19-20,22-24,26,29-33,35-41,43-44,46-59H2,1-3H3/b21-18-,28-25-,34-27-,45-42-/t60-/m0/s1",JZMNYGXVOKIZHI,GPBWOOLGSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/22:1(13Z))",JZMNYGXVOKIZHI-GPBWOOLGSA-N
HMDB45903,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,44,47,62H,4-17,19-20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b21-18-,28-25-,36-27-,47-44-/t62-/m0/s1",OOKDVBJJASHJKE,CRCQWRODSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/24:1(15Z))",OOKDVBJJASHJKE-CRCQWRODSA-N
HMDB45904,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,30-31,38,41,56H,4-16,19,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,41-38-/t56-/m1/s1",FNAMKCBEUKWTMJ,IKRFLTHPSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",FNAMKCBEUKWTMJ-IKRFLTHPSA-N
HMDB45905,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,30-31,36,38-39,41,56H,4-16,19,22-25,28-29,32-35,37,40,42-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,39-36-,41-38-/t56-/m1/s1",WTJCHFNBXDEBKO,SHJQGDKGSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",WTJCHFNBXDEBKO-SHJQGDKGSA-N
HMDB45906,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,40,43,58H,4-15,17,20,22-24,26,29-31,33-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,43-40-/t58-/m1/s1",NJEMYHITPCMZLC,SUCXDTNXSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/20:2n6)",NJEMYHITPCMZLC-SUCXDTNXSA-N
HMDB45907,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,35,40,43,58H,4-15,17,20,22-24,26,29-31,34,36-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,35-33-,43-40-/t58-/m1/s1",ODEDRZSWUCRSDE,FUANXXGPSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/20:3n6)",ODEDRZSWUCRSDE-FUANXXGPSA-N
HMDB45908,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,35,40-41,43-44,58H,4-15,17,20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",ANSUEMWXPJHSBM,COWXPDBSSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",ANSUEMWXPJHSBM-COWXPDBSSA-N
HMDB45909,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,42,45,60H,4-15,17,20,22-24,26,29-33,35-41,43-44,46-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-,45-42-/t60-/m0/s1",AXLMYDXBLLUOLF,VGYLXPOGSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",AXLMYDXBLLUOLF-VGYLXPOGSA-N
HMDB45910,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,41-42,45,60H,4-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-/t60-/m0/s1",DPVXGIJTUCROGT,MMNGLDDISA,N,"TG(20:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",DPVXGIJTUCROGT-MMNGLDDISA-N
HMDB45911,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,41-42,45,47,50,60H,4-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-,50-47-/t60-/m0/s1",HHWHJJSODCDUKU,RAFXBCCRSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HHWHJJSODCDUKU-RAFXBCCRSA-N
HMDB45912,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,30-31,38,41,56H,4-7,9-10,12-16,19,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-,41-38-/t56-/m1/s1",MUEBVTFKWJRILN,FVZZALSMSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",MUEBVTFKWJRILN-FVZZALSMSA-N
HMDB45913,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,30-31,36,38-39,41,56H,4-7,9-10,12-16,19,22-25,28-29,32-35,37,40,42-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-,39-36-,41-38-/t56-/m1/s1",JDMCRHGBWPRKMH,GRTWRKNKSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",JDMCRHGBWPRKMH-GRTWRKNKSA-N
HMDB45914,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,35,40,43,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34,36-39,41-42,44-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-/t58-/m1/s1",WDMBPVOPXZLEJD,KZLKVBEBSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",WDMBPVOPXZLEJD-KZLKVBEBSA-N
HMDB45915,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,35,40-41,43-44,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",DGGIZZJXAPKIJZ,QWFDJYEESA,N,"TG(20:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",DGGIZZJXAPKIJZ-QWFDJYEESA-N
HMDB45916,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,41-42,45,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-/t60-/m0/s1",BFPUBWJKTOCMTE,UNFRKOAOSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BFPUBWJKTOCMTE-UNFRKOAOSA-N
HMDB45917,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,41-42,45,47,50,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-,50-47-/t60-/m0/s1",FKRMVRADOUUIPO,BEJNYGOSSA,N,"TG(20:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FKRMVRADOUUIPO-BEJNYGOSSA-N
HMDB45918,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h18,21,27,31,38,41,57H,4-17,19-20,22-26,28-30,32-37,39-40,42-56H2,1-3H3/b21-18-,31-27-,41-38-/t57-/m1/s1",KCXIIQXLFLBCNQ,CBUDJNOESA,N,"TG(20:0/18:3(6Z,9Z,12Z)/o-18:0)",KCXIIQXLFLBCNQ-CBUDJNOESA-N
HMDB45919,970.89284152,C63H118O6,[H]C(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,60H,4-17,19-20,22-26,28-29,31-59H2,1-3H3/b21-18-,30-27-",IBEVRNHIOSXUJJ,QYIMKBBWSA,N,TG(20:0/20:2n6/20:0),IBEVRNHIOSXUJJ-QYIMKBBWSA-N
HMDB45920,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,62H,4-17,19-20,22-26,28-29,31-61H2,1-3H3/b21-18-,30-27-/t62-/m0/s1",HABLJVMKPWVWQQ,DZYJICCLSA,N,TG(20:0/20:2n6/22:0),HABLJVMKPWVWQQ-DZYJICCLSA-N
HMDB45921,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,64H,4-17,19-20,22-26,28-29,31-63H2,1-3H3/b21-18-,30-27-/t64-/m0/s1",WXKSPPWVTRIEPS,LBYDJCIJSA,N,TG(20:0/20:2n6/24:0),WXKSPPWVTRIEPS-LBYDJCIJSA-N
HMDB45922,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,54H,4-14,16,19,21-24,26,28-53H2,1-3H3/b18-15-,20-17-,27-25-/t54-/m1/s1",SNGHDWHBYJYQOD,MERPXKMWSA,N,TG(20:0/20:2n6/14:1(9Z)),SNGHDWHBYJYQOD-MERPXKMWSA-N
HMDB45923,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,56H,4-16,18-19,22-23,25,27,29-55H2,1-3H3/b20-17-,24-21-,28-26-/t56-/m1/s1",QUFJRHBBKZQKGM,ITCNHGKMSA,N,TG(20:0/20:2n6/16:1(9Z)),QUFJRHBBKZQKGM-ITCNHGKMSA-N
HMDB45924,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,58H,4-16,18-19,22-23,25,27-28,30-57H2,1-3H3/b20-17-,24-21-,29-26-/t58-/m1/s1",MGIUZRTVYUQICM,HNMAWCJTSA,N,TG(20:0/20:2n6/18:1(11Z)),MGIUZRTVYUQICM-HNMAWCJTSA-N
HMDB45925,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,32,58H,4-16,18-19,21-25,28,30-31,33-57H2,1-3H3/b20-17-,29-26-,32-27-/t58-/m1/s1",MZHAAEGBTAPSRS,CSLDUXSGSA,N,TG(20:0/20:2n6/18:1(9Z)),MZHAAEGBTAPSRS-CSLDUXSGSA-N
HMDB45926,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,60H,4-17,19-20,22-24,26,29,31-59H2,1-3H3/b21-18-,28-25-,30-27-/t60-/m1/s1",IPHBLBUBXCJBLT,KMNGGDODSA,N,TG(20:0/20:2n6/20:1(11Z)),IPHBLBUBXCJBLT-KMNGGDODSA-N
HMDB45927,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,34,37,43,46,60H,4-17,19-20,22-24,26,29,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b21-18-,28-25-,30-27-,37-34-,46-43-/t60-/m1/s1",BTSUUUCAWHHMAG,DPRBZWBHSA,N,"TG(20:0/20:2n6/20:3(5Z,8Z,11Z))",BTSUUUCAWHHMAG-DPRBZWBHSA-N
HMDB45928,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,62H,4-17,19-20,22-24,26,29,31-61H2,1-3H3/b21-18-,28-25-,30-27-/t62-/m0/s1",WMWJJHKIUWUUNU,IVOXSSHESA,N,TG(20:0/20:2n6/22:1(13Z)),WMWJJHKIUWUUNU-IVOXSSHESA-N
HMDB45929,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,64H,4-17,19-20,22-24,26,29,31-63H2,1-3H3/b21-18-,28-25-,30-27-/t64-/m0/s1",PHDYFPRFFULHMD,NMYLAYMXSA,N,TG(20:0/20:2n6/24:1(15Z)),PHDYFPRFFULHMD-NMYLAYMXSA-N
HMDB45930,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,32,58H,4-16,19,22-25,28,30-31,33-57H2,1-3H3/b20-17-,21-18-,29-26-,32-27-/t58-/m1/s1",SKWZGEDXJHKPTI,XLLOAUBSSA,N,"TG(20:0/20:2n6/18:2(9Z,12Z))",SKWZGEDXJHKPTI-XLLOAUBSSA-N
HMDB45931,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,32,38,41,58H,4-16,19,22-25,28,30-31,33-37,39-40,42-57H2,1-3H3/b20-17-,21-18-,29-26-,32-27-,41-38-/t58-/m1/s1",OQFISVUQLGGCBO,HHBRIHIGSA,N,"TG(20:0/20:2n6/18:3(6Z,9Z,12Z))",OQFISVUQLGGCBO-HHBRIHIGSA-N
HMDB45932,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,60H,4-15,17,20,22-24,26,29,31-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-/t60-/m1/s1",GPIFUYLJOSZBCL,HTVZBKGESA,N,TG(20:0/20:2n6/20:2n6),GPIFUYLJOSZBCL-HTVZBKGESA-N
HMDB45933,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,37,60H,4-15,17,20,22-24,26,29,31-33,35-36,38-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-/t60-/m1/s1",DTHQVLKUDRJNSH,NXEMOPDZSA,N,TG(20:0/20:2n6/20:3n6),DTHQVLKUDRJNSH-NXEMOPDZSA-N
HMDB45934,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,37,43,46,60H,4-15,17,20,22-24,26,29,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,46-43-/t60-/m1/s1",CQJJJRSFXVFAMI,NSTNRODUSA,N,"TG(20:0/20:2n6/20:4(5Z,8Z,11Z,14Z))",CQJJJRSFXVFAMI-NSTNRODUSA-N
HMDB45935,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,62H,4-15,17,20,22-24,26,29,31-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-/t62-/m0/s1",ARHZPEZXDIOHPX,MFHFACKISA,N,"TG(20:0/20:2n6/22:2(13Z,16Z))",ARHZPEZXDIOHPX-MFHFACKISA-N
HMDB45936,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,32,35,40,43,62H,4-15,17,20,22-24,26,29,31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,43-40-/t62-/m0/s1",ZPSOYXZKKDNNQY,BBQPBHODSA,N,"TG(20:0/20:2n6/22:4(7Z,10Z,13Z,16Z))",ZPSOYXZKKDNNQY-BBQPBHODSA-N
HMDB45937,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,32,35,40,43,49,52,62H,4-15,17,20,22-24,26,29,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,43-40-,52-49-/t62-/m0/s1",XJRTVTHZGWPHFY,YHKOAHRZSA,N,"TG(20:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",XJRTVTHZGWPHFY-YHKOAHRZSA-N
HMDB45938,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,32,58H,4-8,10-11,13-16,19,22-25,28,30-31,33-57H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,32-27-/t58-/m1/s1",KXWCRKUIJWKYOA,XWFMRWJHSA,N,"TG(20:0/20:2n6/18:3(9Z,12Z,15Z))",KXWCRKUIJWKYOA-XWFMRWJHSA-N
HMDB45939,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,32,38,41,58H,4-8,10-11,13-16,19,22-25,28,30-31,33-37,39-40,42-57H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,32-27-,41-38-/t58-/m1/s1",JVKAEZUDXZBRMU,MUDKJNBXSA,N,"TG(20:0/20:2n6/18:4(6Z,9Z,12Z,15Z))",JVKAEZUDXZBRMU-MUDKJNBXSA-N
HMDB45940,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,37,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-/t60-/m1/s1",NFLOZGHSXUQYSV,KQNQSDKTSA,N,"TG(20:0/20:2n6/20:4(8Z,11Z,14Z,17Z))",NFLOZGHSXUQYSV-KQNQSDKTSA-N
HMDB45941,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,37,43,46,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,46-43-/t60-/m1/s1",ITVLMZZEGWPULV,XLPJLLOHSA,N,"TG(20:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",ITVLMZZEGWPULV-XLPJLLOHSA-N
HMDB45942,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,32,35,40,43,62H,4-6,8-9,11-15,17,20,22-24,26,29,31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,35-32-,43-40-/t62-/m0/s1",GUDXYCHTBIUBFB,LCGWKWSFSA,N,"TG(20:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",GUDXYCHTBIUBFB-LCGWKWSFSA-N
HMDB45943,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,32,35,40,43,49,52,62H,4-6,8-9,11-15,17,20,22-24,26,29,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,35-32-,43-40-,52-49-/t62-/m0/s1",NYHOLAOQGCKXJL,JJKOOZSRSA,N,"TG(20:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NYHOLAOQGCKXJL-JJKOOZSRSA-N
HMDB45944,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,59H,4-16,18-19,21-25,27-28,30-58H2,1-3H3/b20-17-,29-26-/t59-/m1/s1",SSWFQDYDESJLBB,LSMSGGNSSA,N,TG(20:0/20:2n6/o-18:0),SSWFQDYDESJLBB-LSMSGGNSSA-N
HMDB45945,968.877191444,C63H116O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,60H,4-17,19-20,22-26,28-29,31-35,37-38,40-59H2,1-3H3/b21-18-,30-27-,39-36-",WHPQOGDRBOSGRN,BXDHOHHHSA,N,TG(20:0/20:3n6/20:0),WHPQOGDRBOSGRN-BXDHOHHHSA-N
HMDB45946,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,62H,4-17,19-20,22-26,28-29,31-37,39-40,42-61H2,1-3H3/b21-18-,30-27-,41-38-/t62-/m0/s1",QSEFCNRWIMUGOX,RYRRDYSESA,N,TG(20:0/20:3n6/22:0),QSEFCNRWIMUGOX-RYRRDYSESA-N
HMDB45947,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,64H,4-17,19-20,22-26,28-29,31-39,41-42,44-63H2,1-3H3/b21-18-,30-27-,43-40-/t64-/m0/s1",FULIGICUPJVALT,MSLQKNNBSA,N,TG(20:0/20:3n6/24:0),FULIGICUPJVALT-MSLQKNNBSA-N
HMDB45948,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,31,33,54H,4-14,16,19,21-24,26,28-30,32,34-53H2,1-3H3/b18-15-,20-17-,27-25-,33-31-/t54-/m1/s1",RIYWVWTTXYWHMA,ZGQSWRPTSA,N,TG(20:0/20:3n6/14:1(9Z)),RIYWVWTTXYWHMA-ZGQSWRPTSA-N
HMDB45949,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,32,35,56H,4-16,18-19,22-23,25,27,29-31,33-34,36-55H2,1-3H3/b20-17-,24-21-,28-26-,35-32-/t56-/m1/s1",SAYIHRARBZNVAA,WUUIGQSFSA,N,TG(20:0/20:3n6/16:1(9Z)),SAYIHRARBZNVAA-WUUIGQSFSA-N
HMDB45950,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,37,58H,4-16,18-19,22-23,25,27-28,30-33,35-36,38-57H2,1-3H3/b20-17-,24-21-,29-26-,37-34-/t58-/m1/s1",FVMACQWBKCZBMW,ZVXIZCQFSA,N,TG(20:0/20:3n6/18:1(11Z)),FVMACQWBKCZBMW-ZVXIZCQFSA-N
HMDB45951,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,32,34,37,58H,4-16,18-19,21-25,28,30-31,33,35-36,38-57H2,1-3H3/b20-17-,29-26-,32-27-,37-34-/t58-/m1/s1",LKEZCTFABVCKSM,ISCJFJBXSA,N,TG(20:0/20:3n6/18:1(9Z)),LKEZCTFABVCKSM-ISCJFJBXSA-N
HMDB45952,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,36,39,60H,4-17,19-20,22-24,26,29,31-35,37-38,40-59H2,1-3H3/b21-18-,28-25-,30-27-,39-36-/t60-/m1/s1",HHBLSXUEUXTLMG,KUAATXCESA,N,TG(20:0/20:3n6/20:1(11Z)),HHBLSXUEUXTLMG-KUAATXCESA-N
HMDB45953,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,34,36-37,39,43,46,60H,4-17,19-20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b21-18-,28-25-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1",ZYOOKRFWFUJQTP,ULCJBQRKSA,N,"TG(20:0/20:3n6/20:3(5Z,8Z,11Z))",ZYOOKRFWFUJQTP-ULCJBQRKSA-N
HMDB45954,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,62H,4-17,19-20,22-24,26,29,31-37,39-40,42-61H2,1-3H3/b21-18-,28-25-,30-27-,41-38-/t62-/m0/s1",FCAQDBMAWJPRHF,PCOMAJTHSA,N,TG(20:0/20:3n6/22:1(13Z)),FCAQDBMAWJPRHF-PCOMAJTHSA-N
HMDB45955,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,64H,4-17,19-20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b21-18-,28-25-,30-27-,43-40-/t64-/m0/s1",IRGWFXXKCPOKBY,SARNYLJHSA,N,TG(20:0/20:3n6/24:1(15Z)),IRGWFXXKCPOKBY-SARNYLJHSA-N
HMDB45956,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,32,34,37,58H,4-16,19,22-25,28,30-31,33,35-36,38-57H2,1-3H3/b20-17-,21-18-,29-26-,32-27-,37-34-/t58-/m1/s1",JMCPIYXZTVYWNN,VYPJFQJTSA,N,"TG(20:0/20:3n6/18:2(9Z,12Z))",JMCPIYXZTVYWNN-VYPJFQJTSA-N
HMDB45957,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,32,34,37-38,41,58H,4-16,19,22-25,28,30-31,33,35-36,39-40,42-57H2,1-3H3/b20-17-,21-18-,29-26-,32-27-,37-34-,41-38-/t58-/m1/s1",UBTCUCWBLNAOIE,CAKFRHNKSA,N,"TG(20:0/20:3n6/18:3(6Z,9Z,12Z))",UBTCUCWBLNAOIE-CAKFRHNKSA-N
HMDB45958,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,36,39,60H,4-15,17,20,22-24,26,29,31-35,37-38,40-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,39-36-/t60-/m1/s1",UCBIXYZFPRNBNY,CTNQNIPZSA,N,TG(20:0/20:3n6/20:2n6),UCBIXYZFPRNBNY-CTNQNIPZSA-N
HMDB45959,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,60H,4-15,17,20,22-24,26,29,31-33,35,38,40-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-/t60-/m1/s1",KRGKEXOYBMAEQS,UWCJCWLGSA,N,TG(20:0/20:3n6/20:3n6),KRGKEXOYBMAEQS-UWCJCWLGSA-N
HMDB45960,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,46,60H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1",MIGIBVDABPNRJX,IYYGLFAMSA,N,"TG(20:0/20:3n6/20:4(5Z,8Z,11Z,14Z))",MIGIBVDABPNRJX-IYYGLFAMSA-N
HMDB45961,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,38,41,62H,4-15,17,20,22-24,26,29,31-37,39-40,42-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,41-38-/t62-/m0/s1",TVCLWADOSDOUDI,UOGPOOMUSA,N,"TG(20:0/20:3n6/22:2(13Z,16Z))",TVCLWADOSDOUDI-UOGPOOMUSA-N
HMDB45962,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,32,35,38,40-41,43,62H,4-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-/t62-/m0/s1",SLSWJPYHEYCSKN,AKNTZUTNSA,N,"TG(20:0/20:3n6/22:4(7Z,10Z,13Z,16Z))",SLSWJPYHEYCSKN-AKNTZUTNSA-N
HMDB45963,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,32,35,38,40-41,43,49,52,62H,4-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,52-49-/t62-/m0/s1",PUCKTIQODRKRLP,LVVZLVRPSA,N,"TG(20:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",PUCKTIQODRKRLP-LVVZLVRPSA-N
HMDB45964,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,32,34,37,58H,4-8,10-11,13-16,19,22-25,28,30-31,33,35-36,38-57H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,32-27-,37-34-/t58-/m1/s1",CIOZWSXVHCRZJQ,OKXKHJPDSA,N,"TG(20:0/20:3n6/18:3(9Z,12Z,15Z))",CIOZWSXVHCRZJQ-OKXKHJPDSA-N
HMDB45965,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,32,34,37-38,41,58H,4-8,10-11,13-16,19,22-25,28,30-31,33,35-36,39-40,42-57H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-/t58-/m1/s1",RUKMJEPTVHGUNN,RQROPAKLSA,N,"TG(20:0/20:3n6/18:4(6Z,9Z,12Z,15Z))",RUKMJEPTVHGUNN-RQROPAKLSA-N
HMDB45966,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-/t60-/m1/s1",NJFSXYPCHOSPPH,XXLWKGNNSA,N,"TG(20:0/20:3n6/20:4(8Z,11Z,14Z,17Z))",NJFSXYPCHOSPPH-XXLWKGNNSA-N
HMDB45967,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,46,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1",DEGARZFHWKYSKY,QTOSBFDXSA,N,"TG(20:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",DEGARZFHWKYSKY-QTOSBFDXSA-N
HMDB45968,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,32,35,38,40-41,43,62H,4-6,8-9,11-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-/t62-/m0/s1",GRLTYIYNIUWSHV,DYKRTLTLSA,N,"TG(20:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",GRLTYIYNIUWSHV-DYKRTLTLSA-N
HMDB45969,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,32,35,38,40-41,43,49,52,62H,4-6,8-9,11-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,52-49-/t62-/m0/s1",AFWBYLUXPZZSAV,VQPKXFRHSA,N,"TG(20:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AFWBYLUXPZZSAV-VQPKXFRHSA-N
HMDB45970,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,59H,4-16,18-19,21-25,27-28,30-33,35-36,38-58H2,1-3H3/b20-17-,29-26-,37-34-/t59-/m1/s1",XHJNGKVAWYWMEF,GZVBRPQDSA,N,TG(20:0/20:3n6/o-18:0),XHJNGKVAWYWMEF-GZVBRPQDSA-N
HMDB45971,966.86154138,C63H114O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,45,48,60H,4-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b21-18-,30-27-,39-36-,48-45-",MUIBFWWHJKHTDU,KIEMYMGWSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:0)",MUIBFWWHJKHTDU-KIEMYMGWSA-N
HMDB45972,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,47,50,62H,4-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b21-18-,30-27-,41-38-,50-47-/t62-/m0/s1",PGLPSQZYBUQJDH,ULAXMWAKSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:0)",PGLPSQZYBUQJDH-ULAXMWAKSA-N
HMDB45973,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,49,52,64H,4-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,30-27-,43-40-,52-49-/t64-/m0/s1",IFBBCFJYCWTTDM,SHYHSKEISA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/24:0)",IFBBCFJYCWTTDM-SHYHSKEISA-N
HMDB45974,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,31,33,39,42,54H,4-14,16,19,21-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b18-15-,20-17-,27-25-,33-31-,42-39-/t54-/m1/s1",ZTJPQTLPMOYUAV,OXAINDMCSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))",ZTJPQTLPMOYUAV-OXAINDMCSA-N
HMDB45975,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,32,35,41,44,56H,4-16,18-19,22-23,25,27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b20-17-,24-21-,28-26-,35-32-,44-41-/t56-/m1/s1",MPWATYCSXGHPDV,PFCVRTADSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",MPWATYCSXGHPDV-PFCVRTADSA-N
HMDB45976,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,37,43,46,58H,4-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,24-21-,29-26-,37-34-,46-43-/t58-/m1/s1",SAQSWVQTSQKUPA,JMGMRFBJSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",SAQSWVQTSQKUPA-JMGMRFBJSA-N
HMDB45977,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,32,34,37,43,46,58H,4-16,18-19,21-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",PNSVKHJQEQDFID,JHONKVQNSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",PNSVKHJQEQDFID-JHONKVQNSA-N
HMDB45978,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,36,39,45,48,60H,4-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b21-18-,28-25-,30-27-,39-36-,48-45-/t60-/m1/s1",COPQYDANMKTRTJ,MMKHNJGRSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",COPQYDANMKTRTJ-MMKHNJGRSA-N
HMDB45979,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-17,19-20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",HGLDWHZPOATMQV,HBJKTZRUSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",HGLDWHZPOATMQV-HBJKTZRUSA-N
HMDB45980,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,47,50,62H,4-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b21-18-,28-25-,30-27-,41-38-,50-47-/t62-/m0/s1",REDHNYMUVCFEFI,SZVSDYGVSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",REDHNYMUVCFEFI-SZVSDYGVSA-N
HMDB45981,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,49,52,64H,4-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,28-25-,30-27-,43-40-,52-49-/t64-/m0/s1",GEQGBEDMROYHSQ,HFAMAOFWSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",GEQGBEDMROYHSQ-HFAMAOFWSA-N
HMDB45982,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,32,34,37,43,46,58H,4-16,19,22-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,21-18-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",GQKBEVYJRGNODQ,TZXALRQPSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",GQKBEVYJRGNODQ-TZXALRQPSA-N
HMDB45983,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,32,34,37-38,41,43,46,58H,4-16,19,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b20-17-,21-18-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",PISQDBCXEALKMK,ZNFYZLEYSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",PISQDBCXEALKMK-ZNFYZLEYSA-N
HMDB45984,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,36,39,45,48,60H,4-15,17,20,22-24,26,29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,39-36-,48-45-/t60-/m1/s1",QHKBTFROAVQQIT,GZXVBDGESA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)",QHKBTFROAVQQIT-GZXVBDGESA-N
HMDB45985,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,45,48,60H,4-15,17,20,22-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",SQOUFRGADMFGIS,JNZBXZEBSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)",SQOUFRGADMFGIS-JNZBXZEBSA-N
HMDB45987,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,38,41,47,50,62H,4-15,17,20,22-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,41-38-,50-47-/t62-/m0/s1",CEOWTVKNWCPVCH,DNWQGBCASA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",CEOWTVKNWCPVCH-DNWQGBCASA-N
HMDB45988,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",OCOOJYJIXSTVOU,MKWSNAOFSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",OCOOJYJIXSTVOU-MKWSNAOFSA-N
HMDB45989,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",LXUJKSQFPOCCMO,LJNGHNHHSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LXUJKSQFPOCCMO-LJNGHNHHSA-N
HMDB45990,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,32,34,37,43,46,58H,4-8,10-11,13-16,19,22-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",CABLAUVAVYRKOS,HAYCZQDCSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",CABLAUVAVYRKOS-HAYCZQDCSA-N
HMDB45991,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,32,34,37-38,41,43,46,58H,4-8,10-11,13-16,19,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",AWSYEQZJYRPUSK,KUIKNGIXSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",AWSYEQZJYRPUSK-KUIKNGIXSA-N
HMDB45992,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,45,48,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",AYHWSRWXZGTAJR,WUBDYHLFSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",AYHWSRWXZGTAJR-WUBDYHLFSA-N
HMDB45993,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",NPDFCHHIYFJVGQ,AVKTVSHKSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NPDFCHHIYFJVGQ-AVKTVSHKSA-N
HMDB45994,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",FPSQFWKHTFCJPP,OFWHRRDISA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FPSQFWKHTFCJPP-OFWHRRDISA-N
HMDB45995,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8-9,11-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",CJIJEZNCBQRGBE,YGZGMBOMSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CJIJEZNCBQRGBE-YGZGMBOMSA-N
HMDB45996,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,43,46,59H,4-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b20-17-,29-26-,37-34-,46-43-/t59-/m1/s1",XDOAVAFFHWQIBZ,RFGSMKNJSA,N,"TG(20:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)",XDOAVAFFHWQIBZ-RFGSMKNJSA-N
HMDB45997,998.924141636,C65H122O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25,28,62H,4-15,17-18,20-24,26-27,29-61H2,1-3H3/b19-16-,28-25-",MARAIPMTUNEYHE,LVBVOWIESA,N,"TG(20:0/22:2(13Z,16Z)/20:0)",MARAIPMTUNEYHE-LVBVOWIESA-N
HMDB45998,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,64H,4-16,18-19,21-25,27-28,30-63H2,1-3H3/b20-17-,29-26-/t64-/m0/s1",WLUJPGSVMIHZAM,DFNVNBPLSA,N,"TG(20:0/22:2(13Z,16Z)/22:0)",WLUJPGSVMIHZAM-DFNVNBPLSA-N
HMDB45999,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,66H,4-16,18-19,21-25,27-28,30-65H2,1-3H3/b20-17-,29-26-/t66-/m0/s1",URFULOPJAPDJOJ,UGERDDMOSA,N,"TG(20:0/22:2(13Z,16Z)/24:0)",URFULOPJAPDJOJ-UGERDDMOSA-N
HMDB46000,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,56H,4-14,17,20-23,25,27-55H2,1-3H3/b18-15-,19-16-,26-24-/t56-/m1/s1",SJKCDQVPBGCHTG,WYBYDVPLSA,N,"TG(20:0/22:2(13Z,16Z)/14:1(9Z))",SJKCDQVPBGCHTG-WYBYDVPLSA-N
HMDB46001,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,58H,4-15,17-18,20,22-23,26,28-57H2,1-3H3/b19-16-,24-21-,27-25-/t58-/m1/s1",MXJKXYIXCLMTJO,RGVXWQHYSA,N,"TG(20:0/22:2(13Z,16Z)/16:1(9Z))",MXJKXYIXCLMTJO-RGVXWQHYSA-N
HMDB46002,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,60H,4-15,17-18,20,22-23,26-27,29-59H2,1-3H3/b19-16-,24-21-,28-25-/t60-/m1/s1",ZTFSXTDCVHSWOS,AJSIEYOUSA,N,"TG(20:0/22:2(13Z,16Z)/18:1(11Z))",ZTFSXTDCVHSWOS-AJSIEYOUSA-N
HMDB46003,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,34,60H,4-15,17-18,20-24,26,29-33,35-59H2,1-3H3/b19-16-,28-25-,34-27-/t60-/m1/s1",JLVBPNSIUBYKIC,JMGAOAHESA,N,"TG(20:0/22:2(13Z,16Z)/18:1(9Z))",JLVBPNSIUBYKIC-JMGAOAHESA-N
HMDB46004,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,62H,4-15,17-18,20-24,27,30-61H2,1-3H3/b19-16-,28-25-,29-26-/t62-/m1/s1",WQWKRCSYLHDJHW,USWQOYEHSA,N,"TG(20:0/22:2(13Z,16Z)/20:1(11Z))",WQWKRCSYLHDJHW-USWQOYEHSA-N
HMDB46005,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,36,39,45,48,62H,4-15,17-18,20-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,39-36-,48-45-/t62-/m1/s1",FOXXLSSJYCLKQP,WAOAAHFUSA,N,"TG(20:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",FOXXLSSJYCLKQP-WAOAAHFUSA-N
HMDB46006,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,64H,4-16,18-19,21-24,27,30-63H2,1-3H3/b20-17-,28-25-,29-26-/t64-/m0/s1",AOUUQNJJWSRNGV,NTAWQKMZSA,N,"TG(20:0/22:2(13Z,16Z)/22:1(13Z))",AOUUQNJJWSRNGV-NTAWQKMZSA-N
HMDB46007,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,66H,4-16,18-19,21-24,27,30-65H2,1-3H3/b20-17-,28-25-,29-26-/t66-/m0/s1",KJBGCOIDNGQAJB,OLUZHVHFSA,N,"TG(20:0/22:2(13Z,16Z)/24:1(15Z))",KJBGCOIDNGQAJB-OLUZHVHFSA-N
HMDB46008,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,60H,4-15,17,20,22-24,26,29-33,35-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-/t60-/m1/s1",XIXBCMGXHNLMTN,MGRJRRHCSA,N,"TG(20:0/22:2(13Z,16Z)/18:2(9Z,12Z))",XIXBCMGXHNLMTN-MGRJRRHCSA-N
HMDB46009,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,40,43,60H,4-15,17,20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-,43-40-/t60-/m1/s1",YNIZWWNPCWHUTQ,GGMHQFBZSA,N,"TG(20:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",YNIZWWNPCWHUTQ-GGMHQFBZSA-N
HMDB46010,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,62H,4-15,18,21-24,27,30-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-/t62-/m1/s1",WMGRBQCFWZWRHI,ZBYQINHQSA,N,"TG(20:0/22:2(13Z,16Z)/20:2n6)",WMGRBQCFWZWRHI-ZBYQINHQSA-N
HMDB46011,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,36,39,62H,4-15,18,21-24,27,30-35,37-38,40-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-/t62-/m1/s1",MRFPNMRFLMALJV,DHJREICSSA,N,"TG(20:0/22:2(13Z,16Z)/20:3n6)",MRFPNMRFLMALJV-DHJREICSSA-N
HMDB46012,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,36,39,45,48,62H,4-15,18,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-,48-45-/t62-/m1/s1",BZZPTIKSMPXDJK,OCBLIXRMSA,N,"TG(20:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",BZZPTIKSMPXDJK-OCBLIXRMSA-N
HMDB46013,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,64H,4-15,18,21-24,27,30-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-/t64-/m0/s1",PYHADHHCSQOVDC,SLLIHWLJSA,N,"TG(20:0/22:2(13Z,16Z)/22:2(13Z,16Z))",PYHADHHCSQOVDC-SLLIHWLJSA-N
HMDB46014,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,42,45,64H,4-15,18,21-24,27,30-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,45-42-/t64-/m0/s1",PPNWAKBTHBSRLK,CUWLSZLFSA,N,"TG(20:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",PPNWAKBTHBSRLK-CUWLSZLFSA-N
HMDB46015,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,42,45,51,54,64H,4-15,18,21-24,27,30-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,45-42-,54-51-/t64-/m0/s1",UNLOYBICMSDLED,MSZZTLLRSA,N,"TG(20:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UNLOYBICMSDLED-MSZZTLLRSA-N
HMDB46016,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,34,60H,4-8,10-11,13-15,17,20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-27-/t60-/m1/s1",OUDWFYHOJFIKDR,QUDRZTQTSA,N,"TG(20:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",OUDWFYHOJFIKDR-QUDRZTQTSA-N
HMDB46017,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,34,40,43,60H,4-8,10-11,13-15,17,20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-27-,43-40-/t60-/m1/s1",JBFKNCWBKFPUIY,STHNRUHZSA,N,"TG(20:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",JBFKNCWBKFPUIY-STHNRUHZSA-N
HMDB46018,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,36,39,62H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-/t62-/m1/s1",SQMFHWARAWBNJC,LOPKOPBVSA,N,"TG(20:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",SQMFHWARAWBNJC-LOPKOPBVSA-N
HMDB46019,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,36,39,45,48,62H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-,48-45-/t62-/m1/s1",VKTNIQNPPQNETH,HRORSOOBSA,N,"TG(20:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VKTNIQNPPQNETH-HRORSOOBSA-N
HMDB46020,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,36,42,45,64H,4-6,8-9,11-15,18,21-24,27,30-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,45-42-/t64-/m0/s1",LKMLJTDMIPPNJT,JYYMNYSNSA,N,"TG(20:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LKMLJTDMIPPNJT-JYYMNYSNSA-N
HMDB46021,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,36,42,45,51,54,64H,4-6,8-9,11-15,18,21-24,27,30-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,45-42-,54-51-/t64-/m0/s1",LWTUUPPHFTZHOK,OSYCASAYSA,N,"TG(20:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LWTUUPPHFTZHOK-OSYCASAYSA-N
HMDB46022,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,61H,4-15,17-18,20-24,26-27,29-60H2,1-3H3/b19-16-,28-25-/t61-/m1/s1",IYNVHYKXELZPNC,MBBOPVOTSA,N,"TG(20:0/22:2(13Z,16Z)/o-18:0)",IYNVHYKXELZPNC-MBBOPVOTSA-N
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HMDB46025,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,39,45,48,66H,4-16,18-19,21-25,27-28,30-34,36-38,40-44,46-47,49-65H2,1-3H3/b20-17-,29-26-,39-35-,48-45-/t66-/m0/s1",OANDTHLZVLBKPB,RCAFJEBGSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/24:0)",OANDTHLZVLBKPB-RCAFJEBGSA-N
HMDB46026,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,35,38,56H,4-14,17,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,38-35-/t56-/m1/s1",IAMSWCFFSFZXIO,NNNHCPCPSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))",IAMSWCFFSFZXIO-NNNHCPCPSA-N
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HMDB46029,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,39,42,60H,4-15,17-18,20-24,26,29-30,32,35-38,40-41,43-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,42-39-/t60-/m1/s1",RFCDSMPUWNZUFI,AZWVIMOPSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",RFCDSMPUWNZUFI-AZWVIMOPSA-N
HMDB46030,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,32,35,41,44,62H,4-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,44-41-/t62-/m1/s1",SHEMJFSSJKLOIM,SANPIVLQSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",SHEMJFSSJKLOIM-SANPIVLQSA-N
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HMDB46032,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,43,46,64H,4-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,46-43-/t64-/m0/s1",MSXHRVSDWFNEDF,DMJSVOEQSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",MSXHRVSDWFNEDF-DMJSVOEQSA-N
HMDB46033,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,39,45,48,66H,4-16,18-19,21-24,27,30-34,36-38,40-44,46-47,49-65H2,1-3H3/b20-17-,28-25-,29-26-,39-35-,48-45-/t66-/m0/s1",WJOZNWDJFONZMB,HRWGKJQFSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",WJOZNWDJFONZMB-HRWGKJQFSA-N
HMDB46034,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,39,42,60H,4-15,17,20,22-24,26,29-30,32,35-38,40-41,43-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,42-39-/t60-/m1/s1",ACGHXTVLDFHATI,JJQYKMTCSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",ACGHXTVLDFHATI-JJQYKMTCSA-N
HMDB46035,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,39-40,42-43,60H,4-15,17,20,22-24,26,29-30,32,35-38,41,44-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-/t60-/m1/s1",CAGWQYNFFAMFQX,WVAPOJSBSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",CAGWQYNFFAMFQX-WVAPOJSBSA-N
HMDB46036,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,32,35,41,44,62H,4-15,18,21-24,27,30-31,33-34,36-40,42-43,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,44-41-/t62-/m1/s1",JCNDSSNTOPEXGO,WFYNQXGCSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)",JCNDSSNTOPEXGO-WFYNQXGCSA-N
HMDB46037,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,32,35-36,39,41,44,62H,4-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-/t62-/m1/s1",GQAUTQDIONZMJX,FRLQLXBDSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)",GQAUTQDIONZMJX-FRLQLXBDSA-N
HMDB46038,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,62H,4-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",OTIDSIMDEVIUIO,YJDYEQIMSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",OTIDSIMDEVIUIO-YJDYEQIMSA-N
HMDB46039,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,43,46,64H,4-15,18,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,46-43-/t64-/m0/s1",MMFWMLOEESUXJF,QRCILZPXSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",MMFWMLOEESUXJF-QRCILZPXSA-N
HMDB46040,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,64H,4-15,18,21-24,27,30-32,35,38-41,44,47-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t64-/m0/s1",CXWYJLOYEKXQSU,DAVVXGAFSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",CXWYJLOYEKXQSU-DAVVXGAFSA-N
HMDB46041,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51,54,64H,4-15,18,21-24,27,30-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-/t64-/m0/s1",JTSVCDYIJZFBCD,ZLIUPRKSSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JTSVCDYIJZFBCD-ZLIUPRKSSA-N
HMDB46042,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,39,42,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-38,40-41,43-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-/t60-/m1/s1",GFXAGILENKUCCO,BGWAMGPPSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",GFXAGILENKUCCO-BGWAMGPPSA-N
HMDB46043,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,39-40,42-43,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-38,41,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-/t60-/m1/s1",UJZIJWWJEILDEY,WXPCSILISA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",UJZIJWWJEILDEY-WXPCSILISA-N
HMDB46044,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,32,35-36,39,41,44,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-/t62-/m1/s1",VSJLNMUSXUXYCQ,ZRMYCASXSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",VSJLNMUSXUXYCQ-ZRMYCASXSA-N
HMDB46045,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",KLDPKHGWALBTMK,XEWLRIDCSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KLDPKHGWALBTMK-XEWLRIDCSA-N
HMDB46046,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t64-/m0/s1",TVZBNPOSSXNQNX,OAOMBQAJSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",TVZBNPOSSXNQNX-OAOMBQAJSA-N
HMDB46047,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51,54,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-/t64-/m0/s1",WBAOZIPUMYGMJB,JSJABFCESA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WBAOZIPUMYGMJB-JSJABFCESA-N
HMDB46048,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,39,42,61H,4-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-60H2,1-3H3/b19-16-,28-25-,34-32-,42-39-/t61-/m1/s1",SFRHUFVHFRPPOS,GUBGQLFOSA,N,"TG(20:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)",SFRHUFVHFRPPOS-GUBGQLFOSA-N
HMDB46049,992.877191444,C65H116O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,41,44,50,53,62H,4-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,28-25-,35-32-,44-41-,53-50-",XAMYGFZWAHGKDO,PYSRTNLNSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0)",XAMYGFZWAHGKDO-PYSRTNLNSA-N
HMDB46050,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,43,46,52,55,64H,4-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",APRCVUBRHQGNJB,MJTMMXNYSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)",APRCVUBRHQGNJB-MJTMMXNYSA-N
HMDB46051,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,39,45,48,54,57,66H,4-16,18-19,21-25,27-28,30-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,29-26-,39-35-,48-45-,57-54-/t66-/m0/s1",POAMXIQWJNRAHH,VQKAHXDJSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)",POAMXIQWJNRAHH-VQKAHXDJSA-N
HMDB46052,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,35,38,44,47,56H,4-14,17,20-23,25,27-28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,38-35-,47-44-/t56-/m1/s1",YQIIGQZHIAATRN,UBTFAHOOSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))",YQIIGQZHIAATRN-UBTFAHOOSA-N
HMDB46053,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,37,40,46,49,58H,4-15,17-18,20,22-23,26,28-29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,40-37-,49-46-/t58-/m1/s1",OVJXITREGQEAFT,TXAYCRCUSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",OVJXITREGQEAFT-TXAYCRCUSA-N
HMDB46054,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,31,33,39,42,48,51,60H,4-15,17-18,20,22-23,26-27,29-30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,24-21-,28-25-,33-31-,42-39-,51-48-/t60-/m1/s1",GEYBFTLZFGOMLS,UARABLDKSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",GEYBFTLZFGOMLS-UARABLDKSA-N
HMDB46055,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,39,42,48,51,60H,4-15,17-18,20-24,26,29-30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,42-39-,51-48-/t60-/m1/s1",XIMVAXPQXRCQDC,DBBMJRQSSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",XIMVAXPQXRCQDC-DBBMJRQSSA-N
HMDB46056,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,32,35,41,44,50,53,62H,4-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,44-41-,53-50-/t62-/m1/s1",NZBSWJARMPGQDR,RDHVUVOOSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",NZBSWJARMPGQDR-RDHVUVOOSA-N
HMDB46057,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,32,35-36,39,41,44-45,48,50,53,62H,4-15,17-18,20-24,27,30-31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",PUUOXXIHDGYRLM,HIFJMXJESA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",PUUOXXIHDGYRLM-HIFJMXJESA-N
HMDB46058,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,43,46,52,55,64H,4-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",ZUVWMZGVTMNEML,NGMWMWJLSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",ZUVWMZGVTMNEML-NGMWMWJLSA-N
HMDB46059,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,39,45,48,54,57,66H,4-16,18-19,21-24,27,30-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,28-25-,29-26-,39-35-,48-45-,57-54-/t66-/m0/s1",CUKKHSBTMUGABU,ZLEUCPPOSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",CUKKHSBTMUGABU-ZLEUCPPOSA-N
HMDB46060,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,39,42,48,51,60H,4-15,17,20,22-24,26,29-30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,51-48-/t60-/m1/s1",GOFOBLXEUFWVJE,SOQYGLMLSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",GOFOBLXEUFWVJE-SOQYGLMLSA-N
HMDB46061,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,39-40,42-43,48,51,60H,4-15,17,20,22-24,26,29-30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-,51-48-/t60-/m1/s1",MOPJMQJQXVNKMM,VZZXKGMBSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",MOPJMQJQXVNKMM-VZZXKGMBSA-N
HMDB46062,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,32,35,41,44,50,53,62H,4-15,18,21-24,27,30-31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,44-41-,53-50-/t62-/m1/s1",OMEDFSKFQYPCQF,KOCROWDMSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",OMEDFSKFQYPCQF-KOCROWDMSA-N
HMDB46063,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,32,35-36,39,41,44,50,53,62H,4-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,53-50-/t62-/m1/s1",FGHCEFHKRSCFQR,OIIHBCCUSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",FGHCEFHKRSCFQR-OIIHBCCUSA-N
HMDB46064,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,50,53,62H,4-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",NCLFKFXOWMWKFU,GCNFLIPDSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",NCLFKFXOWMWKFU-GCNFLIPDSA-N
HMDB46065,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,43,46,52,55,64H,4-15,18,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",PEPZQATVBXYMKC,SOFOPIMGSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",PEPZQATVBXYMKC-SOFOPIMGSA-N
HMDB46066,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,52,55,64H,4-15,18,21-24,27,30-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,55-52-/t64-/m0/s1",NBVQKERVWQQXMG,AJAWTPLKSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",NBVQKERVWQQXMG-AJAWTPLKSA-N
HMDB46067,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-15,18,21-24,27,30-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-/t64-/m0/s1",GKCVTNDTSWWCLK,UDBRBPTISA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GKCVTNDTSWWCLK-UDBRBPTISA-N
HMDB46068,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,39,42,48,51,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,51-48-/t60-/m1/s1",AMLVLGGTLWUONM,RRWYFFCASA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",AMLVLGGTLWUONM-RRWYFFCASA-N
HMDB46069,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,39-40,42-43,48,51,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-,51-48-/t60-/m1/s1",DIKFYIAWOURXLG,GORHZOPMSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",DIKFYIAWOURXLG-GORHZOPMSA-N
HMDB46070,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,32,35-36,39,41,44,50,53,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,53-50-/t62-/m1/s1",XYEAUXDRCGXGAT,JPDGCDLDSA,N,"TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",XYEAUXDRCGXGAT-JPDGCDLDSA-N
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HMDB46098,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,41,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-/t60-/m0/s1",ZBIXPXAIQGNOJR,CUUYKELTSA,N,"TG(20:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZBIXPXAIQGNOJR-CUUYKELTSA-N
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HMDB46102,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,34,42,45,60H,4-8,10-11,13-17,19-20,22-26,28-33,35-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,34-27-,45-42-/t60-/m0/s1",PPUMGRJWTDYAJJ,BCPBRTCFSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:0)",PPUMGRJWTDYAJJ-BCPBRTCFSA-N
HMDB46103,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,44,47,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,36-27-,47-44-/t62-/m0/s1",IRKCSLOAHVJKJM,ZOBDPMMHSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/24:0)",IRKCSLOAHVJKJM-ZOBDPMMHSA-N
HMDB46104,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,28,34,37,52H,4-7,9-10,12-14,16,19,21-24,26-27,29-33,35-36,38-51H2,1-3H3/b11-8-,18-15-,20-17-,28-25-,37-34-/t52-/m1/s1",AYBNKZOBZIRMHJ,WCCWLRMCSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))",AYBNKZOBZIRMHJ-WCCWLRMCSA-N
HMDB46105,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,36,39,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,39-36-/t54-/m1/s1",ZTNCEOWHIGXJAM,CAYPXVCWSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))",ZTNCEOWHIGXJAM-CAYPXVCWSA-N
HMDB46106,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,31,38,41,56H,4-8,10-11,13-17,19,22,24-26,28-30,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,23-20-,31-27-,41-38-/t56-/m1/s1",DAUSNDVJUDWPTD,TUAPUUFVSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))",DAUSNDVJUDWPTD-TUAPUUFVSA-N
HMDB46107,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,30-31,38,41,56H,4-8,10-11,13-17,19-20,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,30-26-,31-27-,41-38-/t56-/m1/s1",ZPKJPAMYQCJNRG,UVJHRJGASA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))",ZPKJPAMYQCJNRG-UVJHRJGASA-N
HMDB46108,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32,40,43,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,33-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-,43-40-/t58-/m1/s1",YOCBGRZFDFQCLQ,DCZCGKEKSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))",YOCBGRZFDFQCLQ-DCZCGKEKSA-N
HMDB46109,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32-33,35,40-41,43-44,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",LLHXPNWWLODKMH,CKTVWJIBSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",LLHXPNWWLODKMH-CKTVWJIBSA-N
HMDB46110,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,34,42,45,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-,45-42-/t60-/m0/s1",QMDVGDLZLSCJAH,WAECXLMDSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",QMDVGDLZLSCJAH-WAECXLMDSA-N
HMDB46111,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,44,47,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-,47-44-/t62-/m0/s1",KQUTUOHNGAEDEG,OEZUJLFLSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",KQUTUOHNGAEDEG-OEZUJLFLSA-N
HMDB46112,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,30-31,38,41,56H,4-8,10-11,13-16,19,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b12-9-,20-17-,21-18-,30-26-,31-27-,41-38-/t56-/m1/s1",OUDDBCROTIJNID,HESJFKEISA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",OUDDBCROTIJNID-HESJFKEISA-N
HMDB46113,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,30-31,36,38-39,41,56H,4-8,10-11,13-16,19,22-25,28-29,32-35,37,40,42-55H2,1-3H3/b12-9-,20-17-,21-18-,30-26-,31-27-,39-36-,41-38-/t56-/m1/s1",SRCQCEASQBUWCB,PDQVJFHQSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",SRCQCEASQBUWCB-PDQVJFHQSA-N
HMDB46114,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,40,43,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,33-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,43-40-/t58-/m1/s1",WFJYRJNBWHJHDM,KRLIDTDISA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)",WFJYRJNBWHJHDM-KRLIDTDISA-N
HMDB46115,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32-33,35,40,43,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,34,36-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-/t58-/m1/s1",YDTCECBYQIVIPY,QWTNTOMPSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)",YDTCECBYQIVIPY-QWTNTOMPSA-N
HMDB46116,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32-33,35,40-41,43-44,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",SRZWDEXHJLLPQX,VOCVBRCASA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",SRZWDEXHJLLPQX-VOCVBRCASA-N
HMDB46117,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,34,42,45,60H,4-8,10-11,13-15,17,20,22-24,26,29-33,35-41,43-44,46-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-27-,45-42-/t60-/m0/s1",OIBLFFKYXAHRDW,PWDULKBFSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",OIBLFFKYXAHRDW-PWDULKBFSA-N
HMDB46118,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,41-42,45,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-/t60-/m0/s1",QOVOXGFLQUWOCD,SKYIGCTFSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",QOVOXGFLQUWOCD-SKYIGCTFSA-N
HMDB46119,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,41-42,45,47,50,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-,50-47-/t60-/m0/s1",JRUAJAMOWZTEMR,NQCJURAZSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JRUAJAMOWZTEMR-NQCJURAZSA-N
HMDB46120,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,30-31,38,41,56H,4-7,10,13-16,19,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,30-26-,31-27-,41-38-/t56-/m1/s1",ZBKYWRBRUDGQAZ,CFPOIZOMSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",ZBKYWRBRUDGQAZ-CFPOIZOMSA-N
HMDB46121,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,30-31,36,38-39,41,56H,4-7,10,13-16,19,22-25,28-29,32-35,37,40,42-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,30-26-,31-27-,39-36-,41-38-/t56-/m1/s1",HVDGMZFHIKJBCF,AEHIBSSASA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",HVDGMZFHIKJBCF-AEHIBSSASA-N
HMDB46122,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32-33,35,40,43,58H,4-6,8,11,13-15,17,20,22-24,26,29-31,34,36-39,41-42,44-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-/t58-/m1/s1",WUQJANAGNVMGLV,YAHYZDCHSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",WUQJANAGNVMGLV-YAHYZDCHSA-N
HMDB46123,928.751990932,C61H100O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32-33,35,40-41,43-44,58H,4-6,8,11,13-15,17,20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-,44-41-",VTECHGGHMMELEL,CUWTVLMZSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VTECHGGHMMELEL-CUWTVLMZSA-N
HMDB46124,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,41-42,45,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-/t60-/m0/s1",VOIUMMLAPMMRMR,FONKPBJWSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VOIUMMLAPMMRMR-FONKPBJWSA-N
HMDB46125,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,41-42,45,47,50,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-,50-47-/t60-/m0/s1",FUSFZXIXQUQAAT,ARAUNSSXSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FUSFZXIXQUQAAT-ARAUNSSXSA-N
HMDB46126,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,38,41,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-37,39-40,42-56H2,1-3H3/b12-9-,21-18-,31-27-,41-38-/t57-/m1/s1",MIIMNXONBBKAGJ,CIALLUTGSA,N,"TG(20:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)",MIIMNXONBBKAGJ-CIALLUTGSA-N
HMDB46127,966.86154138,C63H114O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,60H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-59H2,1-3H3/b12-9-,21-18-,30-27-,39-36-",ALYVJOCNZCAWSV,QWZXXBLSSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:0)",ALYVJOCNZCAWSV-QWZXXBLSSA-N
HMDB46128,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,62H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-61H2,1-3H3/b12-9-,21-18-,30-27-,41-38-/t62-/m0/s1",RDEDWYPHINUIRB,QTJFYHQBSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:0)",RDEDWYPHINUIRB-QTJFYHQBSA-N
HMDB46129,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,30-27-,43-40-/t64-/m0/s1",LVKWVQBMWPXHOD,GOUYTOIOSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/24:0)",LVKWVQBMWPXHOD-GOUYTOIOSA-N
HMDB46130,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,31,33,54H,4-7,9-10,12-14,16,19,21-24,26,28-30,32,34-53H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,33-31-/t54-/m1/s1",UMZQUOZZVLDATH,FCTVMWBXSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))",UMZQUOZZVLDATH-FCTVMWBXSA-N
HMDB46131,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,32,35,56H,4-7,9-10,12-16,18-19,22-23,25,27,29-31,33-34,36-55H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,35-32-/t56-/m1/s1",YTEVJNRUPMRZEJ,IVNGWMMTSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))",YTEVJNRUPMRZEJ-IVNGWMMTSA-N
HMDB46132,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,58H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-/t58-/m1/s1",FZXUNGRLOFVCQT,RQGQHUARSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",FZXUNGRLOFVCQT-RQGQHUARSA-N
HMDB46133,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,32,34,37,58H,4-7,9-10,12-16,18-19,21-25,28,30-31,33,35-36,38-57H2,1-3H3/b11-8-,20-17-,29-26-,32-27-,37-34-/t58-/m1/s1",WYUQRCMIUQJCQS,PNRDKJSMSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",WYUQRCMIUQJCQS-PNRDKJSMSA-N
HMDB46134,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,36,39,60H,4-8,10-11,13-17,19-20,22-24,26,29,31-35,37-38,40-59H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,39-36-/t60-/m1/s1",MVZVFFWLMVHSMR,GMQUXJIXSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",MVZVFFWLMVHSMR-GMQUXJIXSA-N
HMDB46135,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,34,36-37,39,43,46,60H,4-8,10-11,13-17,19-20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1",UENIZIUNYHNISU,UEZAZLNNSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",UENIZIUNYHNISU-UEZAZLNNSA-N
HMDB46136,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,62H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-61H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-/t62-/m0/s1",ZPRVFHNQWAOEMM,PSNULAAXSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))",ZPRVFHNQWAOEMM-PSNULAAXSA-N
HMDB46137,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-/t64-/m0/s1",NNOUREVQTJMJRS,DVUSSXBMSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))",NNOUREVQTJMJRS-DVUSSXBMSA-N
HMDB46138,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,32,34,37,58H,4-7,9-10,12-16,19,22-25,28,30-31,33,35-36,38-57H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,32-27-,37-34-/t58-/m1/s1",JAWCSARWXJZDKE,RIHHUAQKSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",JAWCSARWXJZDKE-RIHHUAQKSA-N
HMDB46139,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,32,34,37-38,41,58H,4-7,9-10,12-16,19,22-25,28,30-31,33,35-36,39-40,42-57H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-/t58-/m1/s1",KKRDDVMNLQNOTP,ARLHDCEHSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",KKRDDVMNLQNOTP-ARLHDCEHSA-N
HMDB46140,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,36,39,60H,4-8,10-11,13-15,17,20,22-24,26,29,31-35,37-38,40-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,39-36-/t60-/m1/s1",NEVHLARDZQWNDN,ZFYLZMJQSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)",NEVHLARDZQWNDN-ZFYLZMJQSA-N
HMDB46141,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,60H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-/t60-/m1/s1",IGPNOTBWBBZFHA,AQPLJHKWSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)",IGPNOTBWBBZFHA-AQPLJHKWSA-N
HMDB46142,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,46,60H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1",FACDAQXMPKTFRQ,SDRVTRRESA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",FACDAQXMPKTFRQ-SDRVTRRESA-N
HMDB46143,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,38,41,62H,4-8,10-11,13-15,17,20,22-24,26,29,31-37,39-40,42-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,41-38-/t62-/m0/s1",XOKQDKSWTLQSIW,OECZULEGSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",XOKQDKSWTLQSIW-OECZULEGSA-N
HMDB46144,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,62H,4-8,10-11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-/t62-/m0/s1",XDYCMVHCJCPSDI,SRMLGFAJSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",XDYCMVHCJCPSDI-SRMLGFAJSA-N
HMDB46145,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,49,52,62H,4-8,10-11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,52-49-/t62-/m0/s1",ZNARRTWEPKVWPQ,NPLKQFITSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZNARRTWEPKVWPQ-NPLKQFITSA-N
HMDB46146,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,32,34,37,58H,4-7,10,13-16,19,22-25,28,30-31,33,35-36,38-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,32-27-,37-34-/t58-/m1/s1",FLLFOSLPRUMJTR,NSYCFLJQSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",FLLFOSLPRUMJTR-NSYCFLJQSA-N
HMDB46147,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,32,34,37-38,41,58H,4-7,10,13-16,19,22-25,28,30-31,33,35-36,39-40,42-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-/t58-/m1/s1",FYWXLGAZTNYWHW,JHCYLCQLSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",FYWXLGAZTNYWHW-JHCYLCQLSA-N
HMDB46148,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,60H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-/t60-/m1/s1",OSJAITDJSAAPCD,BJFZWASFSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",OSJAITDJSAAPCD-BJFZWASFSA-N
HMDB46149,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,46,60H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1",NTQFVICUXZMCHT,XSODUGAPSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NTQFVICUXZMCHT-XSODUGAPSA-N
HMDB46150,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,62H,4-6,8,11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-/t62-/m0/s1",AAGKNIVYCBWMIR,HKNFJBDMSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AAGKNIVYCBWMIR-HKNFJBDMSA-N
HMDB46151,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,49,52,62H,4-6,8,11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,52-49-/t62-/m0/s1",NAZDHNQPMDBTEV,KNJFZQDFSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NAZDHNQPMDBTEV-KNJFZQDFSA-N
HMDB46152,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,59H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-58H2,1-3H3/b11-8-,20-17-,29-26-,37-34-/t59-/m1/s1",VWISUFHDQBBLJZ,QHOGBMJCSA,N,"TG(20:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)",VWISUFHDQBBLJZ-QHOGBMJCSA-N
HMDB46153,964.845891316,C63H112O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,30-27-,39-36-,48-45-",ZFWLBSAZUANAAS,PBXDZALFSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)",ZFWLBSAZUANAAS-PBXDZALFSA-N
HMDB46154,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,30-27-,41-38-,50-47-/t62-/m0/s1",LALXTYDUNDVSKC,JNFUOOAESA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)",LALXTYDUNDVSKC-JNFUOOAESA-N
HMDB46155,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,30-27-,43-40-,52-49-/t64-/m0/s1",WVSFYUNESMKHOR,HCMLLRLNSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)",WVSFYUNESMKHOR-HCMLLRLNSA-N
HMDB46156,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,31,33,39,42,54H,4-7,9-10,12-14,16,19,21-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,33-31-,42-39-/t54-/m1/s1",VMKSVBBDMMDWRC,MRELPACISA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))",VMKSVBBDMMDWRC-MRELPACISA-N
HMDB46157,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,32,35,41,44,56H,4-7,9-10,12-16,18-19,22-23,25,27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,35-32-,44-41-/t56-/m1/s1",RNBFKHXEHREDML,WWZSYUGTSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))",RNBFKHXEHREDML-WWZSYUGTSA-N
HMDB46158,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,43,46,58H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-,46-43-/t58-/m1/s1",CLYVDVILXRZYGC,UYXMOCAVSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))",CLYVDVILXRZYGC-UYXMOCAVSA-N
HMDB46159,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,32,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",XQRVSOPXCQCSFE,GIVLNECGSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",XQRVSOPXCQCSFE-GIVLNECGSA-N
HMDB46160,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,39-36-,48-45-/t60-/m1/s1",WIMOTPNOOSOQHS,SQVGUTRSSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",WIMOTPNOOSOQHS-SQVGUTRSSA-N
HMDB46161,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-8,10-11,13-17,19-20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",GEHPSFWUFSXURT,CBDFWBFOSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",GEHPSFWUFSXURT-CBDFWBFOSA-N
HMDB46162,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-,50-47-/t62-/m0/s1",WCZJJJHLQKWAMT,HEYCHXEISA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",WCZJJJHLQKWAMT-HEYCHXEISA-N
HMDB46163,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-,52-49-/t64-/m0/s1",UKLOKIXXOZMYLK,FHQMQHOPSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",UKLOKIXXOZMYLK-FHQMQHOPSA-N
HMDB46164,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,32,34,37,43,46,58H,4-7,9-10,12-16,19,22-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",RISUJAZMGNAJNW,WFTAZDRISA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",RISUJAZMGNAJNW-WFTAZDRISA-N
HMDB46165,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,32,34,37-38,41,43,46,58H,4-7,9-10,12-16,19,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",PYCKIRGMADGKQR,TZSFZLJFSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",PYCKIRGMADGKQR-TZSFZLJFSA-N
HMDB46166,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,36,39,45,48,60H,4-8,10-11,13-15,17,20,22-24,26,29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,39-36-,48-45-/t60-/m1/s1",LSVDNKVGJVMQJZ,DTWWCEOJSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",LSVDNKVGJVMQJZ-DTWWCEOJSA-N
HMDB46167,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,45,48,60H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",JUJSCXCFHLKMAG,XOZROWQMSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",JUJSCXCFHLKMAG-XOZROWQMSA-N
HMDB46168,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",KBDPPMIATBCOMG,IRNKZLHESA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",KBDPPMIATBCOMG-IRNKZLHESA-N
HMDB46169,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,38,41,47,50,62H,4-8,10-11,13-15,17,20,22-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,41-38-,50-47-/t62-/m0/s1",SYZGEMGYTBPBLX,GPAIUBFLSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",SYZGEMGYTBPBLX-GPAIUBFLSA-N
HMDB46170,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-8,10-11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",OOISPYOEUKOCNL,SNIBVZIJSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",OOISPYOEUKOCNL-SNIBVZIJSA-N
HMDB46171,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-8,10-11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",LKGHSUYGIKQJFI,PPUFARMFSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LKGHSUYGIKQJFI-PPUFARMFSA-N
HMDB46172,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,32,34,37,43,46,58H,4-7,10,13-16,19,22-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",VLXYWVJXMXQFCQ,PINHYLRBSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",VLXYWVJXMXQFCQ-PINHYLRBSA-N
HMDB46173,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,32,34,37-38,41,43,46,58H,4-7,10,13-16,19,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",JEZCVCDZQIVKSV,OHCWJDGSSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",JEZCVCDZQIVKSV-OHCWJDGSSA-N
HMDB46174,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,45,48,60H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",HBEVIJGDUHOPDQ,IKOSZMCSSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",HBEVIJGDUHOPDQ-IKOSZMCSSA-N
HMDB46175,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",VJVMHCYTENEWNN,ZXFARNTQSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VJVMHCYTENEWNN-ZXFARNTQSA-N
HMDB46176,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-6,8,11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",YRBFDKKZQGVUSF,BIIATSBWSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YRBFDKKZQGVUSF-BIIATSBWSA-N
HMDB46177,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8,11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",NGKSSGSZKCGACO,LLLFLALWSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NGKSSGSZKCGACO-LLLFLALWSA-N
HMDB46178,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,59H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-/t59-/m1/s1",NTTXNAFNXUAECU,XRQXJLDCSA,N,"TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)",NTTXNAFNXUAECU-XRQXJLDCSA-N
HMDB46179,992.877191444,C65H116O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,41,44,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-61H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,44-41-",RNADJTXNZUKDJE,DAWAMIFUSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)",RNADJTXNZUKDJE-DAWAMIFUSA-N
HMDB46180,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-/t64-/m0/s1",OTPRUGWWMISYTE,HATRRIATSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)",OTPRUGWWMISYTE-HATRRIATSA-N
HMDB46181,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,39,45,48,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-38,40-44,46-47,49-65H2,1-3H3/b11-8-,20-17-,29-26-,39-35-,48-45-/t66-/m0/s1",LPPTZAMFEIHTFD,USBGYSGKSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)",LPPTZAMFEIHTFD-USBGYSGKSA-N
HMDB46182,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,35,38,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,38-35-/t56-/m1/s1",CBWFJQBHWCRIDF,MDIULCAASA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",CBWFJQBHWCRIDF-MDIULCAASA-N
HMDB46183,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,37,40,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,40-37-/t58-/m1/s1",XICVDGPTZVFUGX,KNUAWOHQSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",XICVDGPTZVFUGX-KNUAWOHQSA-N
HMDB46184,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,39,42,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,42-39-/t60-/m1/s1",IFBNXRASQCUYMI,VXEJXGLMSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",IFBNXRASQCUYMI-VXEJXGLMSA-N
HMDB46185,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,39,42,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,42-39-/t60-/m1/s1",HMRPHEFZYARYNZ,MMZAMPIZSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",HMRPHEFZYARYNZ-MMZAMPIZSA-N
HMDB46186,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,32,35,41,44,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,44-41-/t62-/m1/s1",YHPNLJKAOMGSNV,FSFYJFSFSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",YHPNLJKAOMGSNV-FSFYJFSFSA-N
HMDB46187,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,32,35-36,39,41,44-45,48,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",UMOXGIBICVRSOG,CVPQPORXSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",UMOXGIBICVRSOG-CVPQPORXSA-N
HMDB46188,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,46-43-/t64-/m0/s1",SOMSUPRBBKXBAD,KGWXKUPTSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",SOMSUPRBBKXBAD-KGWXKUPTSA-N
HMDB46189,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,39,45,48,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-38,40-44,46-47,49-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-35-,48-45-/t66-/m0/s1",IDFNRKBZROHKRJ,JPLQHIOJSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",IDFNRKBZROHKRJ-JPLQHIOJSA-N
HMDB46190,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,39,42,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-/t60-/m1/s1",QFAMOZTZXWFVEG,WMTXCUHDSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",QFAMOZTZXWFVEG-WMTXCUHDSA-N
HMDB46191,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,39-40,42-43,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-38,41,44-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-/t60-/m1/s1",BPDREBISDHEJBG,XPOREUEJSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",BPDREBISDHEJBG-XPOREUEJSA-N
HMDB46192,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35,41,44,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,36-40,42-43,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,44-41-/t62-/m1/s1",CDPXFGJCSOUOLY,OORAXHASSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",CDPXFGJCSOUOLY-OORAXHASSA-N
HMDB46193,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35-36,39,41,44,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-/t62-/m1/s1",PHUZAZBORONSDJ,YXYBMVPDSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",PHUZAZBORONSDJ-YXYBMVPDSA-N
HMDB46194,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",HJZRBOHURCZANL,YZAPQEBRSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",HJZRBOHURCZANL-YZAPQEBRSA-N
HMDB46195,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,34,37,43,46,64H,4-7,9-10,12-15,18,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,46-43-/t64-/m0/s1",UTNIEGAINFDEKU,ROWPJURWSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",UTNIEGAINFDEKU-ROWPJURWSA-N
HMDB46196,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,64H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,44,47-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t64-/m0/s1",QLHSXLPZCGQUDZ,DJTVXLKZSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",QLHSXLPZCGQUDZ-DJTVXLKZSA-N
HMDB46197,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51,54,64H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-/t64-/m0/s1",HZTQSDZMFAAJLX,YPSRBMPXSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HZTQSDZMFAAJLX-YPSRBMPXSA-N
HMDB46198,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,39,42,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-38,40-41,43-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-/t60-/m1/s1",FGCRNQQTWMCHBU,OAWAPQENSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",FGCRNQQTWMCHBU-OAWAPQENSA-N
HMDB46199,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,39-40,42-43,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-38,41,44-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-/t60-/m1/s1",PUGGWLRJISRKED,HXJIIFRWSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",PUGGWLRJISRKED-HXJIIFRWSA-N
HMDB46200,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39,41,44,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-/t62-/m1/s1",GNHFLVLJYDFEMF,FETNVLMCSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",GNHFLVLJYDFEMF-FETNVLMCSA-N
HMDB46201,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",RUFZCOVIUBZUFG,QIGBCUFFSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RUFZCOVIUBZUFG-QIGBCUFFSA-N
HMDB46202,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,64H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,44,47-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t64-/m0/s1",WLDFUNMRJUWNOW,KCZNPRKISA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WLDFUNMRJUWNOW-KCZNPRKISA-N
HMDB46203,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51,54,64H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-/t64-/m0/s1",AWNCYBYWKSJIPR,OVVJTEJLSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AWNCYBYWKSJIPR-OVVJTEJLSA-N
HMDB46204,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-/t61-/m1/s1",FXPIYBNAKLGETL,UTVLKCAYSA,N,"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",FXPIYBNAKLGETL-UTVLKCAYSA-N
HMDB46205,990.86154138,C65H114O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,41,44,50,53,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,44-41-,53-50-",NTMQUYZAAYVTAQ,ATVPJOHZSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)",NTMQUYZAAYVTAQ-ATVPJOHZSA-N
HMDB46206,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",ALRJLCDBIHXJPN,UECQVHBGSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)",ALRJLCDBIHXJPN-UECQVHBGSA-N
HMDB46207,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,39,45,48,54,57,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,29-26-,39-35-,48-45-,57-54-/t66-/m0/s1",KHOSEAUJSLAXRV,QYGKSYLMSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)",KHOSEAUJSLAXRV-QYGKSYLMSA-N
HMDB46208,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,35,38,44,47,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,38-35-,47-44-/t56-/m1/s1",ILTAWYUWKMMVBK,XRHOSGNOSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",ILTAWYUWKMMVBK-XRHOSGNOSA-N
HMDB46209,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,37,40,46,49,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,40-37-,49-46-/t58-/m1/s1",MENMXHPXYBATHV,KUAHAKBZSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",MENMXHPXYBATHV-KUAHAKBZSA-N
HMDB46210,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,39,42,48,51,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,42-39-,51-48-/t60-/m1/s1",FSIXGWPDIHLCOQ,DKZRJREYSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",FSIXGWPDIHLCOQ-DKZRJREYSA-N
HMDB46211,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,39,42,48,51,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,42-39-,51-48-/t60-/m1/s1",ORBFQWMNSQYQHZ,DTVOIORYSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",ORBFQWMNSQYQHZ-DTVOIORYSA-N
HMDB46212,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,32,35,41,44,50,53,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,44-41-,53-50-/t62-/m1/s1",HQPSMLVSJWTXJE,GDJYMENZSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",HQPSMLVSJWTXJE-GDJYMENZSA-N
HMDB46213,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,32,35-36,39,41,44-45,48,50,53,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",BQLWMBXDGGXRFJ,QDFGUXKJSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",BQLWMBXDGGXRFJ-QDFGUXKJSA-N
HMDB46214,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",GQPMMJGTRAIVQS,MKBHGDLBSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",GQPMMJGTRAIVQS-MKBHGDLBSA-N
HMDB46215,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,39,45,48,54,57,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-35-,48-45-,57-54-/t66-/m0/s1",GMTVDLALPHWQPP,NLZDZBGRSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",GMTVDLALPHWQPP-NLZDZBGRSA-N
HMDB46216,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,39,42,48,51,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,51-48-/t60-/m1/s1",GJTXTGACCVJFCY,WXORGEGGSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",GJTXTGACCVJFCY-WXORGEGGSA-N
HMDB46217,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,39-40,42-43,48,51,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-,51-48-/t60-/m1/s1",JASRGXRLHMKFMV,FRAUDBJISA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",JASRGXRLHMKFMV-FRAUDBJISA-N
HMDB46218,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35,41,44,50,53,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,44-41-,53-50-/t62-/m1/s1",IELHPOBKDVFMKL,QMQSJBKVSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",IELHPOBKDVFMKL-QMQSJBKVSA-N
HMDB46219,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35-36,39,41,44,50,53,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,53-50-/t62-/m1/s1",OWRUMRHHHIWCMV,RKZWRGFCSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",OWRUMRHHHIWCMV-RKZWRGFCSA-N
HMDB46220,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,50,53,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",LFQOOTJETDIJIU,WMPVIGSESA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",LFQOOTJETDIJIU-WMPVIGSESA-N
HMDB46221,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,34,37,43,46,52,55,64H,4-7,9-10,12-15,18,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",HGZQHPJTQPNIJA,GRLWWLTFSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",HGZQHPJTQPNIJA-GRLWWLTFSA-N
HMDB46222,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,52,55,64H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,55-52-/t64-/m0/s1",XZSWPHWYULCYDX,LKWPEARPSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",XZSWPHWYULCYDX-LKWPEARPSA-N
HMDB46223,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-/t64-/m0/s1",JIACGOMLDPBAFG,ZXOITRIMSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JIACGOMLDPBAFG-ZXOITRIMSA-N
HMDB46224,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,39,42,48,51,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,51-48-/t60-/m1/s1",IILFLPTWCQUCBF,JXJKYVJMSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",IILFLPTWCQUCBF-JXJKYVJMSA-N
HMDB46225,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,39-40,42-43,48,51,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-,51-48-/t60-/m1/s1",JYPCPBKGHFDBQX,DJDNCNAFSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",JYPCPBKGHFDBQX-DJDNCNAFSA-N
HMDB46226,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39,41,44,50,53,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,53-50-/t62-/m1/s1",FHGRGLXKYGVTKZ,BFWBIWDASA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",FHGRGLXKYGVTKZ-BFWBIWDASA-N
HMDB46227,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,50,53,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",QSDDUOAVUDULFV,WFLXKTIRSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QSDDUOAVUDULFV-WFLXKTIRSA-N
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HMDB46230,948.850976706,C63H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,48,51,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-,51-48-/t61-/m1/s1",HLBJXGSSXOWJNK,XQIDWFEWSA,N,"TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",HLBJXGSSXOWJNK-XQIDWFEWSA-N
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HMDB46232,960.944877093,C63H124O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3/t61-/m0/s1",FQEJRTLTQMRUCJ,WMNDHARXSA,N,TG(20:0/o-18:0/22:0),FQEJRTLTQMRUCJ-WMNDHARXSA-N
HMDB46233,988.976177222,C65H128O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H128O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3/t63-/m0/s1",CQGOFPNMUGJGIV,VGRRCQLWSA,N,TG(20:0/o-18:0/24:0),CQGOFPNMUGJGIV-VGRRCQLWSA-N
HMDB46234,846.804026513,C55H106O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-/t53-/m1/s1",XTWAQENRDQACCU,CYEBCEKSSA,N,TG(20:0/o-18:0/14:1(9Z)),XTWAQENRDQACCU-CYEBCEKSSA-N
HMDB46235,874.835326642,C57H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,55H,4-20,22-23,25-54H2,1-3H3/b24-21-/t55-/m1/s1",ZRKRTZFYHUBTQQ,AYMZKUIOSA,N,TG(20:0/o-18:0/16:1(9Z)),ZRKRTZFYHUBTQQ-AYMZKUIOSA-N
HMDB46236,902.866626771,C59H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-/t57-/m1/s1",UKQZYMLCKHOSTG,COAUFNLESA,N,TG(20:0/o-18:0/18:1(11Z)),UKQZYMLCKHOSTG-COAUFNLESA-N
HMDB46237,902.866626771,C59H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h27,31,57H,4-26,28-30,32-56H2,1-3H3/b31-27-/t57-/m1/s1",MTMFSFJLPCNPOI,LKKPSHJRSA,N,TG(20:0/o-18:0/18:1(9Z)),MTMFSFJLPCNPOI-LKKPSHJRSA-N
HMDB46238,930.8979269,C61H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-/t59-/m1/s1",SHHFSCMXXQPSEY,VHEGMGFBSA,N,TG(20:0/o-18:0/20:1(11Z)),SHHFSCMXXQPSEY-VHEGMGFBSA-N
HMDB46239,926.866626771,C61H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,33,36,42,45,59H,4-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b28-25-,36-33-,45-42-/t59-/m1/s1",DPXCUHXDCAZRMD,VFADWVNGSA,N,"TG(20:0/o-18:0/20:3(5Z,8Z,11Z))",DPXCUHXDCAZRMD-VFADWVNGSA-N
HMDB46240,958.929227028,C63H122O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-/t61-/m0/s1",ZIDPGXBTSKOGRO,SBOILKGHSA,N,TG(20:0/o-18:0/22:1(13Z)),ZIDPGXBTSKOGRO-SBOILKGHSA-N
HMDB46241,986.960527157,C65H126O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-/t63-/m0/s1",FXJZWHJSBZQZLR,VXCZRWRPSA,N,TG(20:0/o-18:0/24:1(15Z)),FXJZWHJSBZQZLR-VXCZRWRPSA-N
HMDB46242,900.850976706,C59H112O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,27,31,57H,4-17,19-20,22-26,28-30,32-56H2,1-3H3/b21-18-,31-27-/t57-/m1/s1",CZOALYUQVVTJLR,KLWJSLDDSA,N,"TG(20:0/o-18:0/18:2(9Z,12Z))",CZOALYUQVVTJLR-KLWJSLDDSA-N
HMDB46243,898.835326642,C59H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,27,31,37,40,57H,4-17,19-20,22-26,28-30,32-36,38-39,41-56H2,1-3H3/b21-18-,31-27-,40-37-/t57-/m1/s1",HLHUBXANNAEYHC,VBUAWLMLSA,N,"TG(20:0/o-18:0/18:3(6Z,9Z,12Z))",HLHUBXANNAEYHC-VBUAWLMLSA-N
HMDB46244,928.882276835,C61H116O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,59H,4-15,17-18,20-24,26-27,29-58H2,1-3H3/b19-16-,28-25-/t59-/m1/s1",ZAQWCHTYSYNWSH,UWVPRLFQSA,N,TG(20:0/o-18:0/20:2n6),ZAQWCHTYSYNWSH-UWVPRLFQSA-N
HMDB46245,926.866626771,C61H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,59H,4-15,17-18,20-24,26-27,29-32,34-35,37-58H2,1-3H3/b19-16-,28-25-,36-33-/t59-/m1/s1",ZJDHSVUVYJSBGX,HIVQLAITSA,N,TG(20:0/o-18:0/20:3n6),ZJDHSVUVYJSBGX-HIVQLAITSA-N
HMDB46246,924.850976706,C61H112O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,42,45,59H,4-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b19-16-,28-25-,36-33-,45-42-/t59-/m1/s1",FHLGAKXGDKAPGG,KBFGIVFISA,N,"TG(20:0/o-18:0/20:4(5Z,8Z,11Z,14Z))",FHLGAKXGDKAPGG-KBFGIVFISA-N
HMDB46247,956.913576964,C63H120O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,61H,4-15,17-18,20-24,26-27,29-60H2,1-3H3/b19-16-,28-25-/t61-/m0/s1",KBOXWJNBWNAPDL,OSIVHGPASA,N,"TG(20:0/o-18:0/22:2(13Z,16Z))",KBOXWJNBWNAPDL-OSIVHGPASA-N
HMDB46248,952.882276835,C63H116O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,39,42,61H,4-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-60H2,1-3H3/b19-16-,28-25-,34-32-,42-39-/t61-/m0/s1",OIZMVBWGKIPHII,SQJZZZAOSA,N,"TG(20:0/o-18:0/22:4(7Z,10Z,13Z,16Z))",OIZMVBWGKIPHII-SQJZZZAOSA-N
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HMDB46250,898.835326642,C59H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-56H2,1-3H3/b12-9-,21-18-,31-27-/t57-/m1/s1",NJTWVKFGCXPXRU,NMAUIBPZSA,N,"TG(20:0/o-18:0/18:3(9Z,12Z,15Z))",NJTWVKFGCXPXRU-NMAUIBPZSA-N
HMDB46251,896.819676578,C59H108O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,37,40,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-36,38-39,41-56H2,1-3H3/b12-9-,21-18-,31-27-,40-37-/t57-/m1/s1",NVVRBGXGVKVVNS,XNEDTZSSSA,N,"TG(20:0/o-18:0/18:4(6Z,9Z,12Z,15Z))",NVVRBGXGVKVVNS-XNEDTZSSSA-N
HMDB46252,924.850976706,C61H112O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-58H2,1-3H3/b10-7-,19-16-,28-25-,36-33-/t59-/m1/s1",VVNNBLZFSZUXRC,PNXODHRNSA,N,"TG(20:0/o-18:0/20:4(8Z,11Z,14Z,17Z))",VVNNBLZFSZUXRC-PNXODHRNSA-N
HMDB46253,922.835326642,C61H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,42,45,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,45-42-/t59-/m1/s1",KTHNCUZFQLTLQI,VYCDAWFSSA,N,"TG(20:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",KTHNCUZFQLTLQI-VYCDAWFSSA-N
HMDB46254,950.866626771,C63H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-/t61-/m0/s1",JSBGTMPZZRTBBA,BKJFYFMPSA,N,"TG(20:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",JSBGTMPZZRTBBA-BKJFYFMPSA-N
HMDB46255,948.850976706,C63H112O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,48,51,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-,51-48-/t61-/m0/s1",DPGIVBQTWYXEKO,FRQRDVANSA,N,"TG(20:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DPGIVBQTWYXEKO-FRQRDVANSA-N
HMDB46256,946.892841508,C61H118O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3",OCOQNHVILOIPJC,UHFFFAOYSA,N,TG(22:0/14:0/22:0),OCOQNHVILOIPJC-UHFFFAOYSA-N
HMDB46257,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m0/s1",VISYTYIYMATGBO,WDLSKMLESA,N,TG(22:0/14:0/24:0),VISYTYIYMATGBO-WDLSKMLESA-N
HMDB46258,832.75199094,C53H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,17,50H,4-13,15-16,18-49H2,1-3H3/b17-14-/t50-/m1/s1",PWEQSVMBGMXCKC,CKWAXFGSSA,N,TG(22:0/14:0/14:1(9Z)),PWEQSVMBGMXCKC-CKWAXFGSSA-N
HMDB46259,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-/t52-/m1/s1",BIFQOXXWYUVNDG,AZEUCKTBSA,N,TG(22:0/14:0/16:1(9Z)),BIFQOXXWYUVNDG-AZEUCKTBSA-N
HMDB46260,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-/t54-/m1/s1",NZPQRJJPGATRLU,WTNBXCFCSA,N,TG(22:0/14:0/18:1(11Z)),NZPQRJJPGATRLU-WTNBXCFCSA-N
HMDB46261,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h25,30,54H,4-24,26-29,31-53H2,1-3H3/b30-25-/t54-/m1/s1",AIUFGXSNPIPWDK,RGRWSSGASA,N,TG(22:0/14:0/18:1(9Z)),AIUFGXSNPIPWDK-RGRWSSGASA-N
HMDB46262,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m1/s1",NNJOIWXHONILSA,VXVUXWGWSA,N,TG(22:0/14:0/20:1(11Z)),NNJOIWXHONILSA-VXVUXWGWSA-N
HMDB46263,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h25,27,32,34,39,42,56H,4-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b27-25-,34-32-,42-39-/t56-/m1/s1",DPTKJNPSQYUQNR,SHBGSQLLSA,N,"TG(22:0/14:0/20:3(5Z,8Z,11Z))",DPTKJNPSQYUQNR-SHBGSQLLSA-N
HMDB46264,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,58H,4-23,25,27-57H2,1-3H3/b26-24-/t58-/m1/s1",QRBWUSJUUGRVPF,MTFJLRSJSA,N,TG(22:0/14:0/22:1(13Z)),QRBWUSJUUGRVPF-MTFJLRSJSA-N
HMDB46265,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h24,26,60H,4-23,25,27-59H2,1-3H3/b26-24-/t60-/m0/s1",HEROZXQJPBVFAZ,HFGOSKLVSA,N,TG(22:0/14:0/24:1(15Z)),HEROZXQJPBVFAZ-HFGOSKLVSA-N
HMDB46266,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,25,30,54H,4-16,18-19,21-24,26-29,31-53H2,1-3H3/b20-17-,30-25-/t54-/m1/s1",XZBOSRQIAWSJLX,XDVOZUNOSA,N,"TG(22:0/14:0/18:2(9Z,12Z))",XZBOSRQIAWSJLX-XDVOZUNOSA-N
HMDB46267,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,25,30,35,37,54H,4-16,18-19,21-24,26-29,31-34,36,38-53H2,1-3H3/b20-17-,30-25-,37-35-/t54-/m1/s1",FXJPVPHYLZUPPO,KTEJGUCTSA,N,"TG(22:0/14:0/18:3(6Z,9Z,12Z))",FXJPVPHYLZUPPO-KTEJGUCTSA-N
HMDB46268,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,56H,4-16,18-19,21-24,26,28-55H2,1-3H3/b20-17-,27-25-/t56-/m1/s1",VCTGTMSVVLORIT,QMIHDCNESA,N,TG(22:0/14:0/20:2n6),VCTGTMSVVLORIT-QMIHDCNESA-N
HMDB46269,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,56H,4-16,18-19,21-24,26,28-31,33,35-55H2,1-3H3/b20-17-,27-25-,34-32-/t56-/m1/s1",HINBQVGGPDAOPY,LMXINOOTSA,N,TG(22:0/14:0/20:3n6),HINBQVGGPDAOPY-LMXINOOTSA-N
HMDB46270,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,39,42,56H,4-16,18-19,21-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b20-17-,27-25-,34-32-,42-39-/t56-/m1/s1",XUSHVBPEGLSQDD,AFYWJJIZSA,N,"TG(22:0/14:0/20:4(5Z,8Z,11Z,14Z))",XUSHVBPEGLSQDD-AFYWJJIZSA-N
HMDB46271,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,58H,4-15,17-18,20-23,25,27-57H2,1-3H3/b19-16-,26-24-/t58-/m1/s1",NDIASEVRLBWVRO,MEADVOAOSA,N,"TG(22:0/14:0/22:2(13Z,16Z))",NDIASEVRLBWVRO-MEADVOAOSA-N
HMDB46272,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,36,39,58H,4-15,17-18,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,26-24-,32-30-,39-36-/t58-/m1/s1",HMVLLJGZOCQDFI,LIOPWZIDSA,N,"TG(22:0/14:0/22:4(7Z,10Z,13Z,16Z))",HMVLLJGZOCQDFI-LIOPWZIDSA-N
HMDB46273,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,36,39,44,47,58H,4-15,17-18,20-23,25,27-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b19-16-,26-24-,32-30-,39-36-,47-44-/t58-/m1/s1",MESKJPAUSCOIED,OJYRIVIUSA,N,"TG(22:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",MESKJPAUSCOIED-OJYRIVIUSA-N
HMDB46274,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-53H2,1-3H3/b11-8-,20-17-,30-25-/t54-/m1/s1",LKMMURDMXJRDKU,SZZNRBPJSA,N,"TG(22:0/14:0/18:3(9Z,12Z,15Z))",LKMMURDMXJRDKU-SZZNRBPJSA-N
HMDB46275,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,35,37,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-34,36,38-53H2,1-3H3/b11-8-,20-17-,30-25-,37-35-/t54-/m1/s1",WFAJQYLYYSZBCZ,NJNIVTQZSA,N,"TG(22:0/14:0/18:4(6Z,9Z,12Z,15Z))",WFAJQYLYYSZBCZ-NJNIVTQZSA-N
HMDB46276,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,56H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-55H2,1-3H3/b11-8-,20-17-,27-25-,34-32-/t56-/m1/s1",MJHCRJVYPWJQGW,IDJJVQJTSA,N,"TG(22:0/14:0/20:4(8Z,11Z,14Z,17Z))",MJHCRJVYPWJQGW-IDJJVQJTSA-N
HMDB46277,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,39,42,56H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,20-17-,27-25-,34-32-,42-39-/t56-/m1/s1",VJXQIOQXIGWFLQ,GUDXWNSSSA,N,"TG(22:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",VJXQIOQXIGWFLQ-GUDXWNSSSA-N
HMDB46278,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,39-36-/t58-/m1/s1",YHLOPCAACAZVAO,NSKHXVOISA,N,"TG(22:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",YHLOPCAACAZVAO-NSKHXVOISA-N
HMDB46279,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,36,39,44,47,58H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,39-36-,47-44-/t58-/m1/s1",GACFYPKOTXOIBR,JGHPXXCSSA,N,"TG(22:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GACFYPKOTXOIBR-JGHPXXCSSA-N
HMDB46280,876.850976706,C57H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m1/s1",UFCFJEJWLLLXER,KZRJWCEASA,N,TG(22:0/14:0/o-18:0),UFCFJEJWLLLXER-KZRJWCEASA-N
HMDB46281,960.908491572,C62H120O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3",IWBREIGKGFALIC,UHFFFAOYSA,N,TG(22:0/15:0/22:0),IWBREIGKGFALIC-UHFFFAOYSA-N
HMDB46282,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3/t61-/m0/s1",OHGWELMFQAGBBS,WMNDHARXSA,N,TG(22:0/15:0/24:0),OHGWELMFQAGBBS-WMNDHARXSA-N
HMDB46283,846.767641004,C54H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-/t51-/m1/s1",DZWUIBOQQCZJFO,WAEMFQRBSA,N,TG(22:0/15:0/14:1(9Z)),DZWUIBOQQCZJFO-WAEMFQRBSA-N
HMDB46284,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-/t53-/m1/s1",IJNWEWYVNVZXMT,WYGCASPRSA,N,TG(22:0/15:0/16:1(9Z)),IJNWEWYVNVZXMT-WYGCASPRSA-N
HMDB46285,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-/t55-/m1/s1",FOTGCKSEXXDZQK,ORXJQOAGSA,N,TG(22:0/15:0/18:1(11Z)),FOTGCKSEXXDZQK-ORXJQOAGSA-N
HMDB46286,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h26,31,55H,4-25,27-30,32-54H2,1-3H3/b31-26-/t55-/m1/s1",JXMPPZHZKPVYQG,GAPWSALKSA,N,TG(22:0/15:0/18:1(9Z)),JXMPPZHZKPVYQG-GAPWSALKSA-N
HMDB46287,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,57H,4-25,27,29-56H2,1-3H3/b28-26-/t57-/m1/s1",ZTTAHRDRBWOIEG,WVUMPXNTSA,N,TG(22:0/15:0/20:1(11Z)),ZTTAHRDRBWOIEG-WVUMPXNTSA-N
HMDB46288,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,33,35,40,43,57H,4-25,27,29-32,34,36-39,41-42,44-56H2,1-3H3/b28-26-,35-33-,43-40-/t57-/m1/s1",GGFUEZBPJPJGGR,KFSQDJBRSA,N,"TG(22:0/15:0/20:3(5Z,8Z,11Z))",GGFUEZBPJPJGGR-KFSQDJBRSA-N
HMDB46289,958.89284152,C62H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-/t59-/m1/s1",BQQRJHXGMQOHRG,FUFLWFNLSA,N,TG(22:0/15:0/22:1(13Z)),BQQRJHXGMQOHRG-FUFLWFNLSA-N
HMDB46290,986.924141648,C64H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,61H,4-24,26,28-60H2,1-3H3/b27-25-/t61-/m0/s1",FJJOYCLLCVNVSB,FDKLHTHVSA,N,TG(22:0/15:0/24:1(15Z)),FJJOYCLLCVNVSB-FDKLHTHVSA-N
HMDB46291,900.814591198,C58H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,55H,4-16,18-19,21-25,27-30,32-54H2,1-3H3/b20-17-,31-26-/t55-/m1/s1",TZSOCBSSQBBTSS,JODOLNPYSA,N,"TG(22:0/15:0/18:2(9Z,12Z))",TZSOCBSSQBBTSS-JODOLNPYSA-N
HMDB46292,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,36,38,55H,4-16,18-19,21-25,27-30,32-35,37,39-54H2,1-3H3/b20-17-,31-26-,38-36-/t55-/m1/s1",YTPRVRWPVFSOAL,MHPADUKNSA,N,"TG(22:0/15:0/18:3(6Z,9Z,12Z))",YTPRVRWPVFSOAL-MHPADUKNSA-N
HMDB46293,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,57H,4-16,18-19,21-25,27,29-56H2,1-3H3/b20-17-,28-26-/t57-/m1/s1",AQYFTHMYNLDSFB,VLUDVQQZSA,N,TG(22:0/15:0/20:2n6),AQYFTHMYNLDSFB-VLUDVQQZSA-N
HMDB46294,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,57H,4-16,18-19,21-25,27,29-32,34,36-56H2,1-3H3/b20-17-,28-26-,35-33-/t57-/m1/s1",PVKACKMRCWJYNC,DMLPEXGNSA,N,TG(22:0/15:0/20:3n6),PVKACKMRCWJYNC-DMLPEXGNSA-N
HMDB46295,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,40,43,57H,4-16,18-19,21-25,27,29-32,34,36-39,41-42,44-56H2,1-3H3/b20-17-,28-26-,35-33-,43-40-/t57-/m1/s1",OHIGSKGZRDLMSK,KWILIEPASA,N,"TG(22:0/15:0/20:4(5Z,8Z,11Z,14Z))",OHIGSKGZRDLMSK-KWILIEPASA-N
HMDB46296,956.877191455,C62H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,59H,4-15,17-18,20-24,26,28-58H2,1-3H3/b19-16-,27-25-/t59-/m1/s1",DFBDPOGJZQFIHE,ONQZLORESA,N,"TG(22:0/15:0/22:2(13Z,16Z))",DFBDPOGJZQFIHE-ONQZLORESA-N
HMDB46297,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,37,40,59H,4-15,17-18,20-24,26,28-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,27-25-,33-31-,40-37-/t59-/m1/s1",RBNFTDLTHUHQJO,VQIGVWRVSA,N,"TG(22:0/15:0/22:4(7Z,10Z,13Z,16Z))",RBNFTDLTHUHQJO-VQIGVWRVSA-N
HMDB46298,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,37,40,45,48,59H,4-15,17-18,20-24,26,28-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b19-16-,27-25-,33-31-,40-37-,48-45-/t59-/m1/s1",MSAPKWCBALUMJB,CONCGEKQSA,N,"TG(22:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",MSAPKWCBALUMJB-CONCGEKQSA-N
HMDB46299,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,55H,4-7,9-10,12-16,18-19,21-25,27-30,32-54H2,1-3H3/b11-8-,20-17-,31-26-/t55-/m1/s1",YFTFKGRPESIBQI,FNRWURKDSA,N,"TG(22:0/15:0/18:3(9Z,12Z,15Z))",YFTFKGRPESIBQI-FNRWURKDSA-N
HMDB46300,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,36,38,55H,4-7,9-10,12-16,18-19,21-25,27-30,32-35,37,39-54H2,1-3H3/b11-8-,20-17-,31-26-,38-36-/t55-/m1/s1",ZSRZPVOHGXEPMJ,JYUNQQGZSA,N,"TG(22:0/15:0/18:4(6Z,9Z,12Z,15Z))",ZSRZPVOHGXEPMJ-JYUNQQGZSA-N
HMDB46301,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,57H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-56H2,1-3H3/b11-8-,20-17-,28-26-,35-33-/t57-/m1/s1",FVEDWRXODNLNKU,JSDWPFDRSA,N,"TG(22:0/15:0/20:4(8Z,11Z,14Z,17Z))",FVEDWRXODNLNKU-JSDWPFDRSA-N
HMDB46302,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,40,43,57H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-39,41-42,44-56H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,43-40-/t57-/m1/s1",KWBCSXAEYAQODJ,UIHUYYRFSA,N,"TG(22:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",KWBCSXAEYAQODJ-UIHUYYRFSA-N
HMDB46303,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,37,40,59H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-37-/t59-/m1/s1",SSWJXCAZONMACY,DTIXSQCTSA,N,"TG(22:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",SSWJXCAZONMACY-DTIXSQCTSA-N
HMDB46304,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,37,40,45,48,59H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-37-,48-45-/t59-/m1/s1",DHFSNBPGGAHHSL,ZJSLNHLNSA,N,"TG(22:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DHFSNBPGGAHHSL-ZJSLNHLNSA-N
HMDB46305,890.866626771,C58H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m1/s1",YOFKXRHPFISSNM,LXXIDKMWSA,N,TG(22:0/15:0/o-18:0),YOFKXRHPFISSNM-LXXIDKMWSA-N
HMDB46306,974.924141636,C63H122O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3",IBKPJQLFCQOFBE,UHFFFAOYSA,N,TG(22:0/16:0/22:0),IBKPJQLFCQOFBE-UHFFFAOYSA-N
HMDB46307,1002.955441777,C65H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3/t62-/m0/s1",RAFUCBDHTFTCLA,PNVGIOEQSA,N,TG(22:0/16:0/24:0),RAFUCBDHTFTCLA-PNVGIOEQSA-N
HMDB46308,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-/t52-/m1/s1",VJTNIYIXYIDDSH,AYIAWJIRSA,N,TG(22:0/16:0/14:1(9Z)),VJTNIYIXYIDDSH-AYIAWJIRSA-N
HMDB46309,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-/t54-/m1/s1",YKCVKNPTWXLRMR,WTNBXCFCSA,N,TG(22:0/16:0/16:1(9Z)),YKCVKNPTWXLRMR-WTNBXCFCSA-N
HMDB46310,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-/t56-/m1/s1",LJWFWKJSUKWNCH,BUKBLQRKSA,N,TG(22:0/16:0/18:1(11Z)),LJWFWKJSUKWNCH-BUKBLQRKSA-N
HMDB46311,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h26,31,56H,4-25,27-30,32-55H2,1-3H3/b31-26-/t56-/m1/s1",DNKJHSCCXVKXSU,VOLVXKCUSA,N,TG(22:0/16:0/18:1(9Z)),DNKJHSCCXVKXSU-VOLVXKCUSA-N
HMDB46312,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,58H,4-25,27,29-57H2,1-3H3/b28-26-/t58-/m1/s1",GSBULEPEHMWSAO,FJWYWRIBSA,N,TG(22:0/16:0/20:1(11Z)),GSBULEPEHMWSAO-FJWYWRIBSA-N
HMDB46313,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,33,36,41,44,58H,4-25,27,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b28-26-,36-33-,44-41-/t58-/m1/s1",XAXCHZWOFLFLPM,JOQVWQIOSA,N,"TG(22:0/16:0/20:3(5Z,8Z,11Z))",XAXCHZWOFLFLPM-JOQVWQIOSA-N
HMDB46314,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-/t60-/m1/s1",LHPFBXJMLHBPAN,NQFAIHCZSA,N,TG(22:0/16:0/22:1(13Z)),LHPFBXJMLHBPAN-NQFAIHCZSA-N
HMDB46315,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,62H,4-24,26,28-61H2,1-3H3/b27-25-/t62-/m0/s1",XKVZJSYOZAVNAS,SWQRNEPRSA,N,TG(22:0/16:0/24:1(15Z)),XKVZJSYOZAVNAS-SWQRNEPRSA-N
HMDB46316,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,56H,4-16,18-19,21-25,27-30,32-55H2,1-3H3/b20-17-,31-26-/t56-/m1/s1",MIWODFZGWMDPCD,GJDNKMPCSA,N,"TG(22:0/16:0/18:2(9Z,12Z))",MIWODFZGWMDPCD-GJDNKMPCSA-N
HMDB46317,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,36,39,56H,4-16,18-19,21-25,27-30,32-35,37-38,40-55H2,1-3H3/b20-17-,31-26-,39-36-/t56-/m1/s1",BKFNOPVJFAKUDX,KIMICQJKSA,N,"TG(22:0/16:0/18:3(6Z,9Z,12Z))",BKFNOPVJFAKUDX-KIMICQJKSA-N
HMDB46318,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,58H,4-16,18-19,21-25,27,29-57H2,1-3H3/b20-17-,28-26-/t58-/m1/s1",LVHNDABSHOYKAM,KZBHDBQSSA,N,TG(22:0/16:0/20:2n6),LVHNDABSHOYKAM-KZBHDBQSSA-N
HMDB46319,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,58H,4-16,18-19,21-25,27,29-32,34-35,37-57H2,1-3H3/b20-17-,28-26-,36-33-/t58-/m1/s1",QANJMRAWHCWEGS,WVTAUSKUSA,N,TG(22:0/16:0/20:3n6),QANJMRAWHCWEGS-WVTAUSKUSA-N
HMDB46320,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,41,44,58H,4-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b20-17-,28-26-,36-33-,44-41-/t58-/m1/s1",VDFBIEOSCQDYJB,JSSUDYGASA,N,"TG(22:0/16:0/20:4(5Z,8Z,11Z,14Z))",VDFBIEOSCQDYJB-JSSUDYGASA-N
HMDB46321,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,60H,4-15,17-18,20-24,26,28-59H2,1-3H3/b19-16-,27-25-/t60-/m1/s1",RTYVZERQRRRYNE,FREZPLNNSA,N,"TG(22:0/16:0/22:2(13Z,16Z))",RTYVZERQRRRYNE-FREZPLNNSA-N
HMDB46322,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,38,40,60H,4-15,17-18,20-24,26,28-30,32,34-37,39,41-59H2,1-3H3/b19-16-,27-25-,33-31-,40-38-/t60-/m1/s1",CYEYMUIZHDCNEQ,OCRKRECJSA,N,"TG(22:0/16:0/22:4(7Z,10Z,13Z,16Z))",CYEYMUIZHDCNEQ-OCRKRECJSA-N
HMDB46323,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,38,40,46,49,60H,4-15,17-18,20-24,26,28-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b19-16-,27-25-,33-31-,40-38-,49-46-/t60-/m1/s1",LOUYJPLUAGKBFG,OVRZQIFDSA,N,"TG(22:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",LOUYJPLUAGKBFG-OVRZQIFDSA-N
HMDB46324,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-55H2,1-3H3/b11-8-,20-17-,31-26-/t56-/m1/s1",CTAKOXISGNVGIE,YAYSBXIMSA,N,"TG(22:0/16:0/18:3(9Z,12Z,15Z))",CTAKOXISGNVGIE-YAYSBXIMSA-N
HMDB46325,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,36,39,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,31-26-,39-36-/t56-/m1/s1",DPFGVNGSOBLKNT,QCNKVXMNSA,N,"TG(22:0/16:0/18:4(6Z,9Z,12Z,15Z))",DPFGVNGSOBLKNT-QCNKVXMNSA-N
HMDB46326,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,58H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,28-26-,36-33-/t58-/m1/s1",OWZRRACHZQKQKB,BVJSQKDDSA,N,"TG(22:0/16:0/20:4(8Z,11Z,14Z,17Z))",OWZRRACHZQKQKB-BVJSQKDDSA-N
HMDB46327,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,41,44,58H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,44-41-/t58-/m1/s1",UNTAVUUXPMFYJY,PNSUGIGNSA,N,"TG(22:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",UNTAVUUXPMFYJY-PNSUGIGNSA-N
HMDB46328,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,38,40,60H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-38-/t60-/m1/s1",YXFXBGQKOCWXIW,SHFIIMMASA,N,"TG(22:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",YXFXBGQKOCWXIW-SHFIIMMASA-N
HMDB46329,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,38,40,46,49,60H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-38-,49-46-/t60-/m1/s1",PSQNMLIGVNKGBS,QCRPGBDUSA,N,"TG(22:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PSQNMLIGVNKGBS-QCRPGBDUSA-N
HMDB46330,904.882276835,C59H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m1/s1",YVSKKOPPCFWCDU,ODEQYEIHSA,N,TG(22:0/16:0/o-18:0),YVSKKOPPCFWCDU-ODEQYEIHSA-N
HMDB46331,1002.955441764,C65H126O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3",GOMRMSOVOPHTKT,UHFFFAOYSA,N,TG(22:0/18:0/22:0),GOMRMSOVOPHTKT-UHFFFAOYSA-N
HMDB46332,1030.986741906,C67H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3/t64-/m0/s1",MMIAJHZSLCVNAQ,JVUALNACSA,N,TG(22:0/18:0/24:0),MMIAJHZSLCVNAQ-JVUALNACSA-N
HMDB46333,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-/t54-/m1/s1",VPROCYYUGRMDKB,IXHOOSMISA,N,TG(22:0/18:0/14:1(9Z)),VPROCYYUGRMDKB-IXHOOSMISA-N
HMDB46334,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-/t56-/m1/s1",PLFFUZALKUXPFW,SZPKOVDMSA,N,TG(22:0/18:0/16:1(9Z)),PLFFUZALKUXPFW-SZPKOVDMSA-N
HMDB46335,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20,23,58H,4-19,21-22,24-57H2,1-3H3/b23-20-/t58-/m1/s1",RDHCVMCLXVIMLF,ZZMNQIIQSA,N,TG(22:0/18:0/18:1(11Z)),RDHCVMCLXVIMLF-ZZMNQIIQSA-N
HMDB46336,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h26,32,58H,4-25,27-31,33-57H2,1-3H3/b32-26-/t58-/m1/s1",KXKRWDZXBOPYSR,MEEJSIIUSA,N,TG(22:0/18:0/18:1(9Z)),KXKRWDZXBOPYSR-MEEJSIIUSA-N
HMDB46337,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,60H,4-25,27-28,30-59H2,1-3H3/b29-26-/t60-/m1/s1",RDDJZUXEKOBRLD,MXRIWFMKSA,N,TG(22:0/18:0/20:1(11Z)),RDDJZUXEKOBRLD-MXRIWFMKSA-N
HMDB46338,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,35,37,43,46,60H,4-25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b29-26-,37-35-,46-43-/t60-/m1/s1",SSQXIJLQGIDAIS,JYULCUDISA,N,"TG(22:0/18:0/20:3(5Z,8Z,11Z))",SSQXIJLQGIDAIS-JYULCUDISA-N
HMDB46339,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-/t62-/m1/s1",VXHSMVLQLRWLBB,NXJHTKQESA,N,TG(22:0/18:0/22:1(13Z)),VXHSMVLQLRWLBB-NXJHTKQESA-N
HMDB46340,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-/t64-/m0/s1",QPHMRHSCVAQUPL,VMEFWXSPSA,N,TG(22:0/18:0/24:1(15Z)),QPHMRHSCVAQUPL-VMEFWXSPSA-N
HMDB46341,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,26,32,58H,4-16,18-19,21-25,27-31,33-57H2,1-3H3/b20-17-,32-26-/t58-/m1/s1",ZJYWYCGVUDBWGE,VSQDVKCVSA,N,"TG(22:0/18:0/18:2(9Z,12Z))",ZJYWYCGVUDBWGE-VSQDVKCVSA-N
HMDB46342,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,26,32,38,41,58H,4-16,18-19,21-25,27-31,33-37,39-40,42-57H2,1-3H3/b20-17-,32-26-,41-38-/t58-/m1/s1",NGDYFTHZYYRYJI,VNYALLQPSA,N,"TG(22:0/18:0/18:3(6Z,9Z,12Z))",NGDYFTHZYYRYJI-VNYALLQPSA-N
HMDB46343,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,60H,4-16,18-19,21-25,27-28,30-59H2,1-3H3/b20-17-,29-26-/t60-/m1/s1",CUYWPWQOJRQSCW,QSDYZZDBSA,N,TG(22:0/18:0/20:2n6),CUYWPWQOJRQSCW-QSDYZZDBSA-N
HMDB46344,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,60H,4-16,18-19,21-25,27-28,30-34,36,38-59H2,1-3H3/b20-17-,29-26-,37-35-/t60-/m1/s1",IJOXAPFYWITIHW,JPDDOHNZSA,N,TG(22:0/18:0/20:3n6),IJOXAPFYWITIHW-JPDDOHNZSA-N
HMDB46345,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,43,46,60H,4-16,18-19,21-25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b20-17-,29-26-,37-35-,46-43-/t60-/m1/s1",JUAQGNVWXOALQO,DNANJBHKSA,N,"TG(22:0/18:0/20:4(5Z,8Z,11Z,14Z))",JUAQGNVWXOALQO-DNANJBHKSA-N
HMDB46346,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,62H,4-15,17-18,20-24,26-27,29-61H2,1-3H3/b19-16-,28-25-/t62-/m1/s1",OATRQXYJXNBEGW,DEGBXDRHSA,N,"TG(22:0/18:0/22:2(13Z,16Z))",OATRQXYJXNBEGW-DEGBXDRHSA-N
HMDB46347,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,39,42,62H,4-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,28-25-,34-32-,42-39-/t62-/m1/s1",QLYAVCKZHUITQG,KVEALARDSA,N,"TG(22:0/18:0/22:4(7Z,10Z,13Z,16Z))",QLYAVCKZHUITQG-KVEALARDSA-N
HMDB46348,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,39,42,48,51,62H,4-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,28-25-,34-32-,42-39-,51-48-/t62-/m1/s1",VXSHIOHNMIMEJI,RGNPNXLPSA,N,"TG(22:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",VXSHIOHNMIMEJI-RGNPNXLPSA-N
HMDB46349,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,32,58H,4-7,9-10,12-16,18-19,21-25,27-31,33-57H2,1-3H3/b11-8-,20-17-,32-26-/t58-/m1/s1",PEDXBSVTVPVYSP,HGUYPXMVSA,N,"TG(22:0/18:0/18:3(9Z,12Z,15Z))",PEDXBSVTVPVYSP-HGUYPXMVSA-N
HMDB46350,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,32,38,41,58H,4-7,9-10,12-16,18-19,21-25,27-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,32-26-,41-38-/t58-/m1/s1",NEHKBJPTASJPGS,RMFNYSRHSA,N,"TG(22:0/18:0/18:4(6Z,9Z,12Z,15Z))",NEHKBJPTASJPGS-RMFNYSRHSA-N
HMDB46351,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,60H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-59H2,1-3H3/b11-8-,20-17-,29-26-,37-35-/t60-/m1/s1",WAWGLAWANXTROF,ZZMAYMJNSA,N,"TG(22:0/18:0/20:4(8Z,11Z,14Z,17Z))",WAWGLAWANXTROF-ZZMAYMJNSA-N
HMDB46352,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,43,46,60H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,29-26-,37-35-,46-43-/t60-/m1/s1",LFKOJNRPJDKRCS,BCSLLQQQSA,N,"TG(22:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",LFKOJNRPJDKRCS-BCSLLQQQSA-N
HMDB46353,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-/t62-/m1/s1",CWZKNTWVAQVYNS,HHUMHWEKSA,N,"TG(22:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",CWZKNTWVAQVYNS-HHUMHWEKSA-N
HMDB46354,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,48,51,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-,51-48-/t62-/m1/s1",KPQOUUXGTLDLIV,XJQJYNGMSA,N,"TG(22:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KPQOUUXGTLDLIV-XJQJYNGMSA-N
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HMDB46363,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,36,39,45,48,62H,4-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b29-26-,39-36-,48-45-/t62-/m1/s1",KZMLQVARBAPPQW,ITWOBIKTSA,N,"TG(22:0/20:0/20:3(5Z,8Z,11Z))",KZMLQVARBAPPQW-ITWOBIKTSA-N
HMDB46364,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-/t64-/m1/s1",HLQPMFZVMKDAMQ,MTLIWDMUSA,N,TG(22:0/20:0/22:1(13Z)),HLQPMFZVMKDAMQ-MTLIWDMUSA-N
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HMDB46367,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,34,40,43,60H,4-17,19-20,22-26,28-33,35-39,41-42,44-59H2,1-3H3/b21-18-,34-27-,43-40-/t60-/m1/s1",SRFZZMHOMJJKRR,RKJQRDPNSA,N,"TG(22:0/20:0/18:3(6Z,9Z,12Z))",SRFZZMHOMJJKRR-RKJQRDPNSA-N
HMDB46368,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,62H,4-16,18-19,21-25,27-28,30-61H2,1-3H3/b20-17-,29-26-/t62-/m1/s1",JUZZRAJIOMNOIA,YJNPKASESA,N,TG(22:0/20:0/20:2n6),JUZZRAJIOMNOIA-YJNPKASESA-N
HMDB46369,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,62H,4-16,18-19,21-25,27-28,30-35,37-38,40-61H2,1-3H3/b20-17-,29-26-,39-36-/t62-/m1/s1",YJCKFLHQQLAKPU,VEMPENKTSA,N,TG(22:0/20:0/20:3n6),YJCKFLHQQLAKPU-VEMPENKTSA-N
HMDB46370,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,62H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,39-36-,48-45-/t62-/m1/s1",LWZNDMJLTWEGFS,VSAFQTNJSA,N,"TG(22:0/20:0/20:4(5Z,8Z,11Z,14Z))",LWZNDMJLTWEGFS-VSAFQTNJSA-N
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HMDB46372,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,41,44,64H,4-15,17-18,20-24,26-27,29-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,28-25-,36-33-,44-41-/t64-/m1/s1",SSOBOFYLLSLJDS,DTMJVACJSA,N,"TG(22:0/20:0/22:4(7Z,10Z,13Z,16Z))",SSOBOFYLLSLJDS-DTMJVACJSA-N
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HMDB46376,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,39-36-/t62-/m1/s1",VORHBGCEQMZSDT,JAPYCMHZSA,N,"TG(22:0/20:0/20:4(8Z,11Z,14Z,17Z))",VORHBGCEQMZSDT-JAPYCMHZSA-N
HMDB46377,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-/t62-/m1/s1",SEAHTNCPPCUJRY,DYURFAPOSA,N,"TG(22:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",SEAHTNCPPCUJRY-DYURFAPOSA-N
HMDB46378,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,41,44,64H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,44-41-/t64-/m1/s1",BSMPTZSATWJSEE,NJZDRABESA,N,"TG(22:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",BSMPTZSATWJSEE-NJZDRABESA-N
HMDB46379,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,41,44,50,53,64H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,44-41-,53-50-/t64-/m1/s1",QXVRNWVRDBGCSX,GZQVOPSISA,N,"TG(22:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QXVRNWVRDBGCSX-GZQVOPSISA-N
HMDB46380,960.944877093,C63H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3/t61-/m1/s1",LSBBVVQMAXPGLR,QRXDBQBNSA,N,TG(22:0/20:0/o-18:0),LSBBVVQMAXPGLR-QRXDBQBNSA-N
HMDB46381,1059.01804202,C69H134O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3",DMBUODUULYCPAK,UHFFFAOYSA,N,TG(22:0/22:0/22:0),DMBUODUULYCPAK-UHFFFAOYSA-N
HMDB46382,1087.049342164,C71H138O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h68H,4-67H2,1-3H3/t68-/m0/s1",SLDFFJSIWXKZJR,JCXMEWFRSA,N,TG(22:0/22:0/24:0),SLDFFJSIWXKZJR-JCXMEWFRSA-N
HMDB46383,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,58H,4-14,16-17,19-57H2,1-3H3/b18-15-/t58-/m1/s1",NLHVIBDZMSEKSW,HNOSMQIWSA,N,TG(22:0/22:0/14:1(9Z)),NLHVIBDZMSEKSW-HNOSMQIWSA-N
HMDB46384,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-/t60-/m1/s1",JRIJXKUOTQILAX,RXNSVRMPSA,N,TG(22:0/22:0/16:1(9Z)),JRIJXKUOTQILAX-RXNSVRMPSA-N
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HMDB46387,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,64H,4-26,28-29,31-63H2,1-3H3/b30-27-/t64-/m1/s1",FEVVXYSELXHRIH,WYPZXCIZSA,N,TG(22:0/22:0/20:1(11Z)),FEVVXYSELXHRIH-WYPZXCIZSA-N
HMDB46388,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,38,41,47,50,64H,4-26,28-29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b30-27-,41-38-,50-47-/t64-/m1/s1",WMRPQLMWABWLED,GONLYXBQSA,N,"TG(22:0/22:0/20:3(5Z,8Z,11Z))",WMRPQLMWABWLED-GONLYXBQSA-N
HMDB46389,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,66H,4-24,26-27,29-65H2,1-3H3/b28-25-/t66-/m1/s1",NPYLPLUXZIZHBQ,LBWHNTCBSA,N,TG(22:0/22:0/22:1(13Z)),NPYLPLUXZIZHBQ-LBWHNTCBSA-N
HMDB46390,1085.033692099,C71H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25,28,68H,4-24,26-27,29-67H2,1-3H3/b28-25-/t68-/m0/s1",SJLLYANQNGURIL,HGLLRIGKSA,N,TG(22:0/22:0/24:1(15Z)),SJLLYANQNGURIL-HGLLRIGKSA-N
HMDB46391,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,62H,4-17,19-20,22-26,28-35,37-61H2,1-3H3/b21-18-,36-27-/t62-/m1/s1",VPZZYXWJCZKULK,CUUCRUSKSA,N,"TG(22:0/22:0/18:2(9Z,12Z))",VPZZYXWJCZKULK-CUUCRUSKSA-N
HMDB46392,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,42,45,62H,4-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b21-18-,36-27-,45-42-/t62-/m1/s1",HFPVIQXRAXOYGB,MPLBADKSSA,N,"TG(22:0/22:0/18:3(6Z,9Z,12Z))",HFPVIQXRAXOYGB-MPLBADKSSA-N
HMDB46393,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,64H,4-17,19-20,22-26,28-29,31-63H2,1-3H3/b21-18-,30-27-/t64-/m1/s1",ZCZWBRNDIYYLCD,JDLJFBMJSA,N,TG(22:0/22:0/20:2n6),ZCZWBRNDIYYLCD-JDLJFBMJSA-N
HMDB46394,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,64H,4-17,19-20,22-26,28-29,31-37,39-40,42-63H2,1-3H3/b21-18-,30-27-,41-38-/t64-/m1/s1",JXRLQWOQWIOKMR,AYDHTILZSA,N,TG(22:0/22:0/20:3n6),JXRLQWOQWIOKMR-AYDHTILZSA-N
HMDB46395,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,47,50,64H,4-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b21-18-,30-27-,41-38-,50-47-/t64-/m1/s1",KORHGDLAROGHEM,GCNFXRIPSA,N,"TG(22:0/22:0/20:4(5Z,8Z,11Z,14Z))",KORHGDLAROGHEM-GCNFXRIPSA-N
HMDB46396,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,66H,4-15,17-18,20-24,26-27,29-65H2,1-3H3/b19-16-,28-25-/t66-/m1/s1",AGNFNBVQRBKCLS,YRACVBSFSA,N,"TG(22:0/22:0/22:2(13Z,16Z))",AGNFNBVQRBKCLS-YRACVBSFSA-N
HMDB46397,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,34,37,43,46,66H,4-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,28-25-,37-34-,46-43-/t66-/m1/s1",LVPLZMFRGGVNDM,TXXAKJEKSA,N,"TG(22:0/22:0/22:4(7Z,10Z,13Z,16Z))",LVPLZMFRGGVNDM-TXXAKJEKSA-N
HMDB46398,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,34,37,43,46,52,55,66H,4-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,28-25-,37-34-,46-43-,55-52-/t66-/m1/s1",RRXSNXCQEKMUOW,IDSLKGCISA,N,"TG(22:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",RRXSNXCQEKMUOW-IDSLKGCISA-N
HMDB46399,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-61H2,1-3H3/b12-9-,21-18-,36-27-/t62-/m1/s1",UGBUGLMVHYUUEO,QNRBDIGJSA,N,"TG(22:0/22:0/18:3(9Z,12Z,15Z))",UGBUGLMVHYUUEO-QNRBDIGJSA-N
HMDB46400,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,42,45,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,36-27-,45-42-/t62-/m1/s1",ODEJJDVPFBSKCU,RSRFECMUSA,N,"TG(22:0/22:0/18:4(6Z,9Z,12Z,15Z))",ODEJJDVPFBSKCU-RSRFECMUSA-N
HMDB46401,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-63H2,1-3H3/b12-9-,21-18-,30-27-,41-38-/t64-/m1/s1",PZBPLPGRTFPYTE,RQARMEBISA,N,"TG(22:0/22:0/20:4(8Z,11Z,14Z,17Z))",PZBPLPGRTFPYTE-RQARMEBISA-N
HMDB46402,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,47,50,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,21-18-,30-27-,41-38-,50-47-/t64-/m1/s1",FIOLRHWPTWKTCY,XEOQNWATSA,N,"TG(22:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",FIOLRHWPTWKTCY-XEOQNWATSA-N
HMDB46403,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,34,37,43,46,66H,4-6,8-9,11-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,28-25-,37-34-,46-43-/t66-/m1/s1",XRTKBRQAZFYZQZ,DPVCQZFESA,N,"TG(22:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",XRTKBRQAZFYZQZ-DPVCQZFESA-N
HMDB46404,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,34,37,43,46,52,55,66H,4-6,8-9,11-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,28-25-,37-34-,46-43-,55-52-/t66-/m1/s1",LGWUXEVHJYMESY,YIXCTJAYSA,N,"TG(22:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LGWUXEVHJYMESY-YIXCTJAYSA-N
HMDB46405,988.976177222,C65H128O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3/t63-/m1/s1",VURUIKNZTNJDFB,AFLCPGBUSA,N,TG(22:0/22:0/o-18:0),VURUIKNZTNJDFB-AFLCPGBUSA-N
HMDB46406,1087.049342148,C71H138O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h68H,4-67H2,1-3H3",AYBILJFMLVCDSP,UHFFFAOYSA,N,TG(22:0/24:0/22:0),AYBILJFMLVCDSP-UHFFFAOYSA-N
HMDB46407,1115.080642292,C73H142O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H142O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h70H,4-69H2,1-3H3/t70-/m0/s1",VPCXERZGZNHNGT,YOCANWPGSA,N,TG(22:0/24:0/24:0),VPCXERZGZNHNGT-YOCANWPGSA-N
HMDB46408,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,60H,4-14,16-17,19-59H2,1-3H3/b18-15-/t60-/m1/s1",JJHAIYBALUXLAQ,UMYTVORISA,N,TG(22:0/24:0/14:1(9Z)),JJHAIYBALUXLAQ-UMYTVORISA-N
HMDB46409,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-/t62-/m1/s1",RKJWEJSBZKUCDY,QMNOEWNESA,N,TG(22:0/24:0/16:1(9Z)),RKJWEJSBZKUCDY-QMNOEWNESA-N
HMDB46410,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-/t64-/m1/s1",KAJRCHWLAHMRKP,LQXLHNNNSA,N,TG(22:0/24:0/18:1(11Z)),KAJRCHWLAHMRKP-LQXLHNNNSA-N
HMDB46411,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h27,38,64H,4-26,28-37,39-63H2,1-3H3/b38-27-/t64-/m1/s1",BDYAOBMCGRJNQC,ABKPCVOHSA,N,TG(22:0/24:0/18:1(9Z)),BDYAOBMCGRJNQC-ABKPCVOHSA-N
HMDB46412,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,66H,4-26,28-29,31-65H2,1-3H3/b30-27-/t66-/m1/s1",SGEBVXNNSGOTHL,ZPRJOOCISA,N,TG(22:0/24:0/20:1(11Z)),SGEBVXNNSGOTHL-ZPRJOOCISA-N
HMDB46413,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,40,43,49,52,66H,4-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b30-27-,43-40-,52-49-/t66-/m1/s1",CEGASBSVKKBOOE,XADVDKHISA,N,"TG(22:0/24:0/20:3(5Z,8Z,11Z))",CEGASBSVKKBOOE-XADVDKHISA-N
HMDB46414,1085.033692099,C71H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h26,29,68H,4-25,27-28,30-67H2,1-3H3/b29-26-/t68-/m1/s1",XNOYCHZXCNRPAG,NKYIUZGISA,N,TG(22:0/24:0/22:1(13Z)),XNOYCHZXCNRPAG-NKYIUZGISA-N
HMDB46415,1113.064992228,C73H140O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,70H,4-24,26-27,29-69H2,1-3H3/b28-25-/t70-/m0/s1",FXOFWNQWMGOTOC,MGUTZNDRSA,N,TG(22:0/24:0/24:1(15Z)),FXOFWNQWMGOTOC-MGUTZNDRSA-N
HMDB46416,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,38,64H,4-17,19-20,22-26,28-37,39-63H2,1-3H3/b21-18-,38-27-/t64-/m1/s1",FYABBWKLNUFMQZ,YLCOHIRVSA,N,"TG(22:0/24:0/18:2(9Z,12Z))",FYABBWKLNUFMQZ-YLCOHIRVSA-N
HMDB46417,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,38,44,47,64H,4-17,19-20,22-26,28-37,39-43,45-46,48-63H2,1-3H3/b21-18-,38-27-,47-44-/t64-/m1/s1",KUVOGNSXOFBZES,DLKINUJZSA,N,"TG(22:0/24:0/18:3(6Z,9Z,12Z))",KUVOGNSXOFBZES-DLKINUJZSA-N
HMDB46418,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,66H,4-17,19-20,22-26,28-29,31-65H2,1-3H3/b21-18-,30-27-/t66-/m1/s1",UQBNGWGFLJSBPW,URHKZCJLSA,N,TG(22:0/24:0/20:2n6),UQBNGWGFLJSBPW-URHKZCJLSA-N
HMDB46419,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,66H,4-17,19-20,22-26,28-29,31-39,41-42,44-65H2,1-3H3/b21-18-,30-27-,43-40-/t66-/m1/s1",FTWZNHNQQYQJLK,HTORXVLXSA,N,TG(22:0/24:0/20:3n6),FTWZNHNQQYQJLK-HTORXVLXSA-N
HMDB46420,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,49,52,66H,4-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,30-27-,43-40-,52-49-/t66-/m1/s1",RZOQDMOLOMWICY,GRSBDEQXSA,N,"TG(22:0/24:0/20:4(5Z,8Z,11Z,14Z))",RZOQDMOLOMWICY-GRSBDEQXSA-N
HMDB46421,1083.018042035,C71H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,68H,4-16,18-19,21-25,27-28,30-67H2,1-3H3/b20-17-,29-26-/t68-/m1/s1",YNZAUFNIAZHAPP,AVLZBURESA,N,"TG(22:0/24:0/22:2(13Z,16Z))",YNZAUFNIAZHAPP-AVLZBURESA-N
HMDB46422,1078.986741892,C71H130O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,36,39,45,48,68H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,29-26-,39-36-,48-45-",BCELBFIWTYCMAY,FADLVPOWSA,N,"TG(22:0/24:0/22:4(7Z,10Z,13Z,16Z))",BCELBFIWTYCMAY-FADLVPOWSA-N
HMDB46423,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,36,39,45,48,54,57,68H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,29-26-,39-36-,48-45-,57-54-/t68-/m1/s1",NQQJGWJAQHYVDK,YUXLNRFSSA,N,"TG(22:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",NQQJGWJAQHYVDK-YUXLNRFSSA-N
HMDB46424,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-63H2,1-3H3/b12-9-,21-18-,38-27-/t64-/m1/s1",BMZJHFWUSIZARM,QXLBQBTGSA,N,"TG(22:0/24:0/18:3(9Z,12Z,15Z))",BMZJHFWUSIZARM-QXLBQBTGSA-N
HMDB46425,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,44,47,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,38-27-,47-44-/t64-/m1/s1",TWXREQHUJRBXAE,BFLKORIOSA,N,"TG(22:0/24:0/18:4(6Z,9Z,12Z,15Z))",TWXREQHUJRBXAE-BFLKORIOSA-N
HMDB46426,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,30-27-,43-40-/t66-/m1/s1",ZVJFIQWTBVCLPK,KLMMCEHQSA,N,"TG(22:0/24:0/20:4(8Z,11Z,14Z,17Z))",ZVJFIQWTBVCLPK-KLMMCEHQSA-N
HMDB46427,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,30-27-,43-40-,52-49-/t66-/m1/s1",DVFKZKFQPURLIP,LSKBEDBASA,N,"TG(22:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",DVFKZKFQPURLIP-LSKBEDBASA-N
HMDB46428,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-/t68-/m1/s1",YHZCJMWVWVCDOX,FWOLCAKYSA,N,"TG(22:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",YHZCJMWVWVCDOX-FWOLCAKYSA-N
HMDB46429,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-,57-54-/t68-/m1/s1",LFSPPMBJMGAFPG,ASMNCZLRSA,N,"TG(22:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LFSPPMBJMGAFPG-ASMNCZLRSA-N
HMDB46430,1017.00747735,C67H132O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h65H,4-64H2,1-3H3/t65-/m1/s1",RWGOKIUBFDMFFO,IDKUVDLHSA,N,TG(22:0/24:0/o-18:0),RWGOKIUBFDMFFO-IDKUVDLHSA-N
HMDB46431,944.877191444,C61H116O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,58H,4-14,16-17,19-57H2,1-3H3/b18-15-",GVXKQZMSIYZRRW,SDXDJHTJSA,N,TG(22:0/14:1(9Z)/22:0),GVXKQZMSIYZRRW-SDXDJHTJSA-N
HMDB46432,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,60H,4-14,16-17,19-59H2,1-3H3/b18-15-/t60-/m0/s1",NIPVPXGEDBBOMK,XTKDRUTHSA,N,TG(22:0/14:1(9Z)/24:0),NIPVPXGEDBBOMK-XTKDRUTHSA-N
HMDB46433,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14-15,17-18,50H,4-13,16,19-49H2,1-3H3/b17-14-,18-15-/t50-/m1/s1",KUEBBDIGWKIOKM,HIEAHZGJSA,N,TG(22:0/14:1(9Z)/14:1(9Z)),KUEBBDIGWKIOKM-HIEAHZGJSA-N
HMDB46434,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-/t52-/m1/s1",FUYMXADJGTVWDQ,ZHYIDQMMSA,N,TG(22:0/14:1(9Z)/16:1(9Z)),FUYMXADJGTVWDQ-ZHYIDQMMSA-N
HMDB46435,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-/t54-/m1/s1",BDLPDMHMIXARIZ,IORUBXTKSA,N,TG(22:0/14:1(9Z)/18:1(11Z)),BDLPDMHMIXARIZ-IORUBXTKSA-N
HMDB46436,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,25,30,54H,4-14,16-17,19-24,26-29,31-53H2,1-3H3/b18-15-,30-25-/t54-/m1/s1",YSVRNYRWQNHUNV,FLHZLDQWSA,N,TG(22:0/14:1(9Z)/18:1(9Z)),YSVRNYRWQNHUNV-FLHZLDQWSA-N
HMDB46437,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,56H,4-14,16-17,19-24,26,28-55H2,1-3H3/b18-15-,27-25-/t56-/m1/s1",WIJRMMMSSQJMCO,OHQKQAFOSA,N,TG(22:0/14:1(9Z)/20:1(11Z)),WIJRMMMSSQJMCO-OHQKQAFOSA-N
HMDB46438,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,32,34,39,42,56H,4-14,16-17,19-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b18-15-,27-25-,34-32-,42-39-/t56-/m1/s1",OSTGRXXCHTZUID,JPYRWPCTSA,N,"TG(22:0/14:1(9Z)/20:3(5Z,8Z,11Z))",OSTGRXXCHTZUID-JPYRWPCTSA-N
HMDB46439,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,58H,4-14,16-17,19-23,25,27-57H2,1-3H3/b18-15-,26-24-/t58-/m1/s1",PWCZEZSCMQVPJQ,VGBMWCSKSA,N,TG(22:0/14:1(9Z)/22:1(13Z)),PWCZEZSCMQVPJQ-VGBMWCSKSA-N
HMDB46440,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,60H,4-14,16-17,19-23,25,27-59H2,1-3H3/b18-15-,26-24-/t60-/m0/s1",MEEQUTNYZOELIE,BHTARXBPSA,N,TG(22:0/14:1(9Z)/24:1(15Z)),MEEQUTNYZOELIE-BHTARXBPSA-N
HMDB46441,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,30,54H,4-14,16,19,21-24,26-29,31-53H2,1-3H3/b18-15-,20-17-,30-25-/t54-/m1/s1",VZQSJRZRVOMAEX,NTJLCKQPSA,N,"TG(22:0/14:1(9Z)/18:2(9Z,12Z))",VZQSJRZRVOMAEX-NTJLCKQPSA-N
HMDB46442,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,30,35,37,54H,4-14,16,19,21-24,26-29,31-34,36,38-53H2,1-3H3/b18-15-,20-17-,30-25-,37-35-/t54-/m1/s1",NQZWUGZPCSPJEX,LRRPHUEISA,N,"TG(22:0/14:1(9Z)/18:3(6Z,9Z,12Z))",NQZWUGZPCSPJEX-LRRPHUEISA-N
HMDB46443,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,56H,4-14,16,19,21-24,26,28-55H2,1-3H3/b18-15-,20-17-,27-25-/t56-/m1/s1",KFYONODPKPCBBG,FMLOZAJZSA,N,TG(22:0/14:1(9Z)/20:2n6),KFYONODPKPCBBG-FMLOZAJZSA-N
HMDB46444,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,56H,4-14,16,19,21-24,26,28-31,33,35-55H2,1-3H3/b18-15-,20-17-,27-25-,34-32-/t56-/m1/s1",CGXGRYHAWAISRY,OIARXCBISA,N,TG(22:0/14:1(9Z)/20:3n6),CGXGRYHAWAISRY-OIARXCBISA-N
HMDB46445,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,39,42,56H,4-14,16,19,21-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,42-39-/t56-/m1/s1",CZGPTUYKJCXMLS,HCZRAFHQSA,N,"TG(22:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",CZGPTUYKJCXMLS-HCZRAFHQSA-N
HMDB46446,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,58H,4-14,17,20-23,25,27-57H2,1-3H3/b18-15-,19-16-,26-24-/t58-/m1/s1",KJGHSPINRPPFIW,IBENIOHQSA,N,"TG(22:0/14:1(9Z)/22:2(13Z,16Z))",KJGHSPINRPPFIW-IBENIOHQSA-N
HMDB46447,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,36,39,58H,4-14,17,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b18-15-,19-16-,26-24-,32-30-,39-36-/t58-/m1/s1",OCISSRRCSMYBAI,HOOJJXDTSA,N,"TG(22:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",OCISSRRCSMYBAI-HOOJJXDTSA-N
HMDB46448,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,36,39,44,47,58H,4-14,17,20-23,25,27-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b18-15-,19-16-,26-24-,32-30-,39-36-,47-44-/t58-/m1/s1",FHBHFTYZZRZHDK,YVDVJTFESA,N,"TG(22:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FHBHFTYZZRZHDK-YVDVJTFESA-N
HMDB46449,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-/t54-/m1/s1",OYMKHLWGIUBLIM,ROXUKPIWSA,N,"TG(22:0/14:1(9Z)/18:3(9Z,12Z,15Z))",OYMKHLWGIUBLIM-ROXUKPIWSA-N
HMDB46450,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,35,37,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-34,36,38-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-,37-35-/t54-/m1/s1",UNKHDPXDHSBDOZ,BXAJSTJNSA,N,"TG(22:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",UNKHDPXDHSBDOZ-BXAJSTJNSA-N
HMDB46451,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,56H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-/t56-/m1/s1",RJYMDWYNMPPPFM,DNYAPFFKSA,N,"TG(22:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",RJYMDWYNMPPPFM-DNYAPFFKSA-N
HMDB46452,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,39,42,56H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,42-39-/t56-/m1/s1",ZPBUXJSYGIICDE,PAISOUKUSA,N,"TG(22:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZPBUXJSYGIICDE-PAISOUKUSA-N
HMDB46453,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,36,39,58H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-,39-36-/t58-/m1/s1",JFFRRQJXKFDFIO,IIIXPFDRSA,N,"TG(22:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JFFRRQJXKFDFIO-IIIXPFDRSA-N
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HMDB46455,874.83532663,C57H110O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,55H,4-14,16-17,19-54H2,1-3H3/b18-15-",BDPJRENIZGEJEP,SDXDJHTJSA,N,TG(22:0/14:1(9Z)/o-18:0),BDPJRENIZGEJEP-SDXDJHTJSA-N
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HMDB46475,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,31,36,39,56H,4-7,9-10,12-16,18-19,22-23,25,27-30,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,31-26-,39-36-/t56-/m1/s1",VNBFAKAKEXMIIS,NHZABDBMSA,N,"TG(22:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",VNBFAKAKEXMIIS-NHZABDBMSA-N
HMDB46476,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-/t58-/m1/s1",VEKSLYIHTOBNLB,XFSFHTFJSA,N,"TG(22:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",VEKSLYIHTOBNLB-XFSFHTFJSA-N
HMDB46477,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,41,44,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-,44-41-/t58-/m1/s1",LLCPSNXMCLGACU,XLYWTMCISA,N,"TG(22:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LLCPSNXMCLGACU-XLYWTMCISA-N
HMDB46478,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,33,38,40,60H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-31-,40-38-/t60-/m1/s1",LGMIHDFKAMFZFO,BVDYWXALSA,N,"TG(22:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LGMIHDFKAMFZFO-BVDYWXALSA-N
HMDB46479,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,33,38,40,46,49,60H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-31-,40-38-,49-46-/t60-/m1/s1",IRVUYVOCBYOLSL,JUZSEQBMSA,N,"TG(22:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IRVUYVOCBYOLSL-JUZSEQBMSA-N
HMDB46480,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-/t57-/m1/s1",LFLULLQVQPKAMK,COAUFNLESA,N,TG(22:0/16:1(9Z)/o-18:0),LFLULLQVQPKAMK-COAUFNLESA-N
HMDB46481,1000.9397917,C65H124O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-",OVBFRSXDOOYVQB,FLFQWRMESA,N,TG(22:0/18:1(11Z)/22:0),OVBFRSXDOOYVQB-FLFQWRMESA-N
HMDB46482,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-/t64-/m0/s1",ZQQYXKKKZZMMTQ,AGSISGMLSA,N,TG(22:0/18:1(11Z)/24:0),ZQQYXKKKZZMMTQ-AGSISGMLSA-N
HMDB46483,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-/t54-/m1/s1",KRWQAFNFPUEROU,IORUBXTKSA,N,TG(22:0/18:1(11Z)/14:1(9Z)),KRWQAFNFPUEROU-IORUBXTKSA-N
HMDB46484,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-/t56-/m1/s1",JTMVEGQXRXTDQX,ZLUYPCRLSA,N,TG(22:0/18:1(11Z)/16:1(9Z)),JTMVEGQXRXTDQX-ZLUYPCRLSA-N
HMDB46485,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20-21,23-24,58H,4-19,22,25-57H2,1-3H3/b23-20-,24-21-/t58-/m1/s1",CDMARTCICGPDST,GMFCVOFDSA,N,TG(22:0/18:1(11Z)/18:1(11Z)),CDMARTCICGPDST-GMFCVOFDSA-N
HMDB46486,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h21,24,26,32,58H,4-20,22-23,25,27-31,33-57H2,1-3H3/b24-21-,32-26-/t58-/m1/s1",YHILGYSICPKXAA,HAQNTTHJSA,N,TG(22:0/18:1(11Z)/18:1(9Z)),YHILGYSICPKXAA-HAQNTTHJSA-N
HMDB46487,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,60H,4-20,22-23,25,27-28,30-59H2,1-3H3/b24-21-,29-26-/t60-/m1/s1",WTCMNORLXBIXAX,NYLLBKPFSA,N,TG(22:0/18:1(11Z)/20:1(11Z)),WTCMNORLXBIXAX-NYLLBKPFSA-N
HMDB46488,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,35,37,43,46,60H,4-20,22-23,25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b24-21-,29-26-,37-35-,46-43-/t60-/m1/s1",HOOIWTKANHPAOR,WFCJKOETSA,N,"TG(22:0/18:1(11Z)/20:3(5Z,8Z,11Z))",HOOIWTKANHPAOR-WFCJKOETSA-N
HMDB46489,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,62H,4-20,22-23,26-27,29-61H2,1-3H3/b24-21-,28-25-/t62-/m1/s1",BXQOTUKHIIAKMN,PYAYOEKTSA,N,TG(22:0/18:1(11Z)/22:1(13Z)),BXQOTUKHIIAKMN-PYAYOEKTSA-N
HMDB46490,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,64H,4-20,22-23,26-27,29-63H2,1-3H3/b24-21-,28-25-/t64-/m0/s1",KBHXFMPSERKMOS,SDZVRZGUSA,N,TG(22:0/18:1(11Z)/24:1(15Z)),KBHXFMPSERKMOS-SDZVRZGUSA-N
HMDB46491,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,32,58H,4-16,18-19,22-23,25,27-31,33-57H2,1-3H3/b20-17-,24-21-,32-26-/t58-/m1/s1",IIJVLTDWMAWLFO,IUDYXZLCSA,N,"TG(22:0/18:1(11Z)/18:2(9Z,12Z))",IIJVLTDWMAWLFO-IUDYXZLCSA-N
HMDB46492,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,32,38,41,58H,4-16,18-19,22-23,25,27-31,33-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,32-26-,41-38-/t58-/m1/s1",UDIKHJQTLDFGFW,LEVMJDGGSA,N,"TG(22:0/18:1(11Z)/18:3(6Z,9Z,12Z))",UDIKHJQTLDFGFW-LEVMJDGGSA-N
HMDB46493,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,60H,4-16,18-19,22-23,25,27-28,30-59H2,1-3H3/b20-17-,24-21-,29-26-/t60-/m1/s1",GBUWYEPDQKOYKY,HQMLJKSRSA,N,TG(22:0/18:1(11Z)/20:2n6),GBUWYEPDQKOYKY-HQMLJKSRSA-N
HMDB46494,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,37,60H,4-16,18-19,22-23,25,27-28,30-34,36,38-59H2,1-3H3/b20-17-,24-21-,29-26-,37-35-/t60-/m1/s1",INCHZKMNHLHTMY,NVYNFKEVSA,N,TG(22:0/18:1(11Z)/20:3n6),INCHZKMNHLHTMY-NVYNFKEVSA-N
HMDB46495,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,37,43,46,60H,4-16,18-19,22-23,25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b20-17-,24-21-,29-26-,37-35-,46-43-/t60-/m1/s1",NBAGACYNMBHBAX,UCIKURBBSA,N,"TG(22:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",NBAGACYNMBHBAX-UCIKURBBSA-N
HMDB46496,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,62H,4-15,17-18,20,22-23,26-27,29-61H2,1-3H3/b19-16-,24-21-,28-25-/t62-/m1/s1",PFMFFZYAIQCLAO,OTCQQXQRSA,N,"TG(22:0/18:1(11Z)/22:2(13Z,16Z))",PFMFFZYAIQCLAO-OTCQQXQRSA-N
HMDB46497,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,39,42,62H,4-15,17-18,20,22-23,26-27,29-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,42-39-/t62-/m1/s1",XGGYSCWRHCPQNX,DKYIPPGMSA,N,"TG(22:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",XGGYSCWRHCPQNX-DKYIPPGMSA-N
HMDB46498,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,39,42,48,51,62H,4-15,17-18,20,22-23,26-27,29-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,42-39-,51-48-/t62-/m1/s1",YGRGQDNFNVMDEZ,UGBBSUATSA,N,"TG(22:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YGRGQDNFNVMDEZ-UGBBSUATSA-N
HMDB46499,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,32,58H,4-7,9-10,12-16,18-19,22-23,25,27-31,33-57H2,1-3H3/b11-8-,20-17-,24-21-,32-26-/t58-/m1/s1",RFWZFNZBJZHWEA,VKCGIOIVSA,N,"TG(22:0/18:1(11Z)/18:3(9Z,12Z,15Z))",RFWZFNZBJZHWEA-VKCGIOIVSA-N
HMDB46500,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,32,38,41,58H,4-7,9-10,12-16,18-19,22-23,25,27-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,32-26-,41-38-/t58-/m1/s1",PRWGPRKKZWNQGQ,XWEHDHMQSA,N,"TG(22:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",PRWGPRKKZWNQGQ-XWEHDHMQSA-N
HMDB46501,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,35,37,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36,38-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-35-/t60-/m1/s1",JMEDNPXWSUSBMW,JWCUFUJSSA,N,"TG(22:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",JMEDNPXWSUSBMW-JWCUFUJSSA-N
HMDB46502,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,35,37,43,46,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-35-,46-43-/t60-/m1/s1",ZGKZBSSBZQXPKF,MTDAWVPLSA,N,"TG(22:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZGKZBSSBZQXPKF-MTDAWVPLSA-N
HMDB46503,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,39,42,62H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,42-39-/t62-/m1/s1",NKOKJDPLGJQWEN,GPIJDVMLSA,N,"TG(22:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NKOKJDPLGJQWEN-GPIJDVMLSA-N
HMDB46504,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,39,42,48,51,62H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,42-39-,51-48-/t62-/m1/s1",QFWZEKHQFDVFKL,CSJJGJMBSA,N,"TG(22:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QFWZEKHQFDVFKL-CSJJGJMBSA-N
HMDB46505,930.8979269,C61H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h21,24,59H,4-20,22-23,25-58H2,1-3H3/b24-21-/t59-/m1/s1",LWKXGGICHIWIRL,VQUDVRKKSA,N,TG(22:0/18:1(11Z)/o-18:0),LWKXGGICHIWIRL-VQUDVRKKSA-N
HMDB46506,1000.9397917,C65H124O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,36,62H,4-26,28-35,37-61H2,1-3H3/b36-27-",PTKKMDRSYOCXLG,RLANJUCJSA,N,TG(22:0/18:1(9Z)/22:0),PTKKMDRSYOCXLG-RLANJUCJSA-N
HMDB46507,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h27,38,64H,4-26,28-37,39-63H2,1-3H3/b38-27-/t64-/m0/s1",AXXWQJRAJJBDAC,AZKINFMTSA,N,TG(22:0/18:1(9Z)/24:0),AXXWQJRAJJBDAC-AZKINFMTSA-N
HMDB46508,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,25,30,54H,4-14,16-17,19-24,26-29,31-53H2,1-3H3/b18-15-,30-25-/t54-/m1/s1",XQGOXUBPPLKVPV,FLHZLDQWSA,N,TG(22:0/18:1(9Z)/14:1(9Z)),XQGOXUBPPLKVPV-FLHZLDQWSA-N
HMDB46509,914.830241252,C59H110O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h21,24,26,31,56H,4-20,22-23,25,27-30,32-55H2,1-3H3/b24-21-,31-26-/t56-/m1/s1",LLZPZRGVBKFBKR,GIEBDLEXSA,N,TG(22:0/18:1(9Z)/16:1(9Z)),LLZPZRGVBKFBKR-GIEBDLEXSA-N
HMDB46510,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20,23,27,33,58H,4-19,21-22,24-26,28-32,34-57H2,1-3H3/b23-20-,33-27-/t58-/m1/s1",FTFVPUBFVDVJAU,NJSMUVRASA,N,TG(22:0/18:1(9Z)/18:1(11Z)),FTFVPUBFVDVJAU-NJSMUVRASA-N
HMDB46511,942.86154138,C61H114O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h26-27,32-33,58H,4-25,28-31,34-57H2,1-3H3/b32-26-,33-27-/t58-/m1/s1",MAWRDGRSFXIWKV,PVNZSUHJSA,N,TG(22:0/18:1(9Z)/18:1(9Z)),MAWRDGRSFXIWKV-PVNZSUHJSA-N
HMDB46512,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34,60H,4-25,28,30-33,35-59H2,1-3H3/b29-26-,34-27-/t60-/m1/s1",SLCSZUMZGXHZBR,QSGKUKMWSA,N,TG(22:0/18:1(9Z)/20:1(11Z)),SLCSZUMZGXHZBR-QSGKUKMWSA-N
HMDB46513,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34-35,37,43,46,60H,4-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",QQXNBQNXQFZRPW,JKNRJROESA,N,"TG(22:0/18:1(9Z)/20:3(5Z,8Z,11Z))",QQXNBQNXQFZRPW-JKNRJROESA-N
HMDB46514,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,36,62H,4-24,26,29-35,37-61H2,1-3H3/b28-25-,36-27-/t62-/m1/s1",STZLFCHYTLSBKF,DCMTVOPCSA,N,TG(22:0/18:1(9Z)/22:1(13Z)),STZLFCHYTLSBKF-DCMTVOPCSA-N
HMDB46515,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,38,64H,4-24,26,29-37,39-63H2,1-3H3/b28-25-,38-27-/t64-/m0/s1",CYFLKARTWUTCQM,YFARTVLGSA,N,TG(22:0/18:1(9Z)/24:1(15Z)),CYFLKARTWUTCQM-YFARTVLGSA-N
HMDB46516,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,26-27,32-33,58H,4-16,18-19,21-25,28-31,34-57H2,1-3H3/b20-17-,32-26-,33-27-/t58-/m1/s1",AMDSHUSILZVWMX,NSOUBCFQSA,N,"TG(22:0/18:1(9Z)/18:2(9Z,12Z))",AMDSHUSILZVWMX-NSOUBCFQSA-N
HMDB46517,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,26-27,32-33,38,41,58H,4-16,18-19,21-25,28-31,34-37,39-40,42-57H2,1-3H3/b20-17-,32-26-,33-27-,41-38-/t58-/m1/s1",OUGBFDBXTPQOJV,XAHZAFGXSA,N,"TG(22:0/18:1(9Z)/18:3(6Z,9Z,12Z))",OUGBFDBXTPQOJV-XAHZAFGXSA-N
HMDB46518,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,60H,4-16,18-19,21-25,28,30-33,35-59H2,1-3H3/b20-17-,29-26-,34-27-/t60-/m1/s1",QYYNNMGUOXLSIN,IIFQMVJHSA,N,TG(22:0/18:1(9Z)/20:2n6),QYYNNMGUOXLSIN-IIFQMVJHSA-N
HMDB46519,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34-35,37,60H,4-16,18-19,21-25,28,30-33,36,38-59H2,1-3H3/b20-17-,29-26-,34-27-,37-35-/t60-/m1/s1",QFXWHSAPDFXYOG,HPPVFJRISA,N,TG(22:0/18:1(9Z)/20:3n6),QFXWHSAPDFXYOG-HPPVFJRISA-N
HMDB46520,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34-35,37,43,46,60H,4-16,18-19,21-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b20-17-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",YFHMHPUWCPHBQO,RXTVTRGASA,N,"TG(22:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",YFHMHPUWCPHBQO-RXTVTRGASA-N
HMDB46521,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,36,62H,4-15,17-18,20-24,26,29-35,37-61H2,1-3H3/b19-16-,28-25-,36-27-/t62-/m1/s1",HMFUPGNYAQHREK,XBMVLUQZSA,N,"TG(22:0/18:1(9Z)/22:2(13Z,16Z))",HMFUPGNYAQHREK-XBMVLUQZSA-N
HMDB46522,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32,34,36,39,42,62H,4-15,17-18,20-24,26,29-31,33,35,37-38,40-41,43-61H2,1-3H3/b19-16-,28-25-,34-32-,36-27-,42-39-/t62-/m1/s1",HJCHRCWITPACOH,RXWHVNOBSA,N,"TG(22:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",HJCHRCWITPACOH-RXWHVNOBSA-N
HMDB46523,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32,34,36,39,42,48,51,62H,4-15,17-18,20-24,26,29-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,28-25-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",PLMWGTHUZYDPDB,BGGLTQCTSA,N,"TG(22:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PLMWGTHUZYDPDB-BGGLTQCTSA-N
HMDB46524,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,32-33,58H,4-7,9-10,12-16,18-19,21-25,28-31,34-57H2,1-3H3/b11-8-,20-17-,32-26-,33-27-/t58-/m1/s1",HNLMGPXMNLVNRF,NVQONJOPSA,N,"TG(22:0/18:1(9Z)/18:3(9Z,12Z,15Z))",HNLMGPXMNLVNRF-NVQONJOPSA-N
HMDB46525,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,32-33,38,41,58H,4-7,9-10,12-16,18-19,21-25,28-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,32-26-,33-27-,41-38-/t58-/m1/s1",WFIPBQPSNZJDPY,JYYHYCLCSA,N,"TG(22:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",WFIPBQPSNZJDPY-JYYHYCLCSA-N
HMDB46526,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34-35,37,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,36,38-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,37-35-/t60-/m1/s1",CZMBTAPVPVKAEQ,LJDQVSKQSA,N,"TG(22:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",CZMBTAPVPVKAEQ-LJDQVSKQSA-N
HMDB46527,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34-35,37,43,46,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",ICZNVYWIBUJKRO,KXDVIGTRSA,N,"TG(22:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ICZNVYWIBUJKRO-KXDVIGTRSA-N
HMDB46528,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32,34,36,39,42,62H,4-6,8-9,11-15,17-18,20-24,26,29-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,36-27-,42-39-/t62-/m1/s1",QFFWFOXCCPPIRB,BMICFSITSA,N,"TG(22:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QFFWFOXCCPPIRB-BMICFSITSA-N
HMDB46529,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32,34,36,39,42,48,51,62H,4-6,8-9,11-15,17-18,20-24,26,29-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",YLHCEZFNWZIKCV,PTMRJKCWSA,N,"TG(22:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YLHCEZFNWZIKCV-PTMRJKCWSA-N
HMDB46530,930.8979269,C61H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h27,33,59H,4-26,28-32,34-58H2,1-3H3/b33-27-/t59-/m1/s1",QMOWIVMFLLYBSJ,XEYQYPFISA,N,TG(22:0/18:1(9Z)/o-18:0),QMOWIVMFLLYBSJ-XEYQYPFISA-N
HMDB46531,1028.971091828,C67H128O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,64H,4-26,28-29,31-63H2,1-3H3/b30-27-",QBZSTTHBKFGDCS,IKPAITLHSA,N,TG(22:0/20:1(11Z)/22:0),QBZSTTHBKFGDCS-IKPAITLHSA-N
HMDB46532,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,66H,4-26,28-29,31-65H2,1-3H3/b30-27-/t66-/m0/s1",XHYQOCQWEFKEOW,VUHNDNNRSA,N,TG(22:0/20:1(11Z)/24:0),XHYQOCQWEFKEOW-VUHNDNNRSA-N
HMDB46533,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,56H,4-14,16-17,19-24,26,28-55H2,1-3H3/b18-15-,27-25-/t56-/m1/s1",HZTVWEWLCFVURZ,OHQKQAFOSA,N,TG(22:0/20:1(11Z)/14:1(9Z)),HZTVWEWLCFVURZ-OHQKQAFOSA-N
HMDB46534,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,58H,4-20,22-23,25,27,29-57H2,1-3H3/b24-21-,28-26-/t58-/m1/s1",PKPAOZPHGVIQGC,ORAGRNPGSA,N,TG(22:0/20:1(11Z)/16:1(9Z)),PKPAOZPHGVIQGC-ORAGRNPGSA-N
HMDB46535,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,60H,4-20,22-23,25,27-28,30-59H2,1-3H3/b24-21-,29-26-/t60-/m1/s1",CFOWRVBCJCEHTO,NYLLBKPFSA,N,TG(22:0/20:1(11Z)/18:1(11Z)),CFOWRVBCJCEHTO-NYLLBKPFSA-N
HMDB46536,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34,60H,4-25,28,30-33,35-59H2,1-3H3/b29-26-,34-27-/t60-/m1/s1",SEOQXFHPWMVJJP,QSGKUKMWSA,N,TG(22:0/20:1(11Z)/18:1(9Z)),SEOQXFHPWMVJJP-QSGKUKMWSA-N
HMDB46537,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,62H,4-25,28,31-61H2,1-3H3/b29-26-,30-27-/t62-/m1/s1",UPWRHEBKYKNKII,WXPMLLLLSA,N,TG(22:0/20:1(11Z)/20:1(11Z)),UPWRHEBKYKNKII-WXPMLLLLSA-N
HMDB46538,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,36,39,45,48,62H,4-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",XCDMDNCQZUYBAO,GJOXEFJCSA,N,"TG(22:0/20:1(11Z)/20:3(5Z,8Z,11Z))",XCDMDNCQZUYBAO-GJOXEFJCSA-N
HMDB46539,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,64H,4-24,26,29,31-63H2,1-3H3/b28-25-,30-27-/t64-/m1/s1",KZGVGEDSGJFWSA,PTHYGBDFSA,N,TG(22:0/20:1(11Z)/22:1(13Z)),KZGVGEDSGJFWSA-PTHYGBDFSA-N
HMDB46540,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,66H,4-24,26,29,31-65H2,1-3H3/b28-25-,30-27-/t66-/m0/s1",XZMKCTFTNPESCM,QCPVGASCSA,N,TG(22:0/20:1(11Z)/24:1(15Z)),XZMKCTFTNPESCM-QCPVGASCSA-N
HMDB46541,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,60H,4-17,19-20,22-25,28,30-33,35-59H2,1-3H3/b21-18-,29-26-,34-27-/t60-/m1/s1",LEZBCWXJJZZACU,NYUYSZTLSA,N,"TG(22:0/20:1(11Z)/18:2(9Z,12Z))",LEZBCWXJJZZACU-NYUYSZTLSA-N
HMDB46542,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,40,43,60H,4-17,19-20,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b21-18-,29-26-,34-27-,43-40-/t60-/m1/s1",BJOKYLJMABAHNL,RGDGXKHXSA,N,"TG(22:0/20:1(11Z)/18:3(6Z,9Z,12Z))",BJOKYLJMABAHNL-RGDGXKHXSA-N
HMDB46543,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,62H,4-16,18-19,21-25,28,31-61H2,1-3H3/b20-17-,29-26-,30-27-/t62-/m1/s1",OJJSEKLECAKJIN,PNSPNGJQSA,N,TG(22:0/20:1(11Z)/20:2n6),OJJSEKLECAKJIN-PNSPNGJQSA-N
HMDB46544,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,39,62H,4-16,18-19,21-25,28,31-35,37-38,40-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-/t62-/m1/s1",SIPMEYWYNOFDPB,VEQZWHHMSA,N,TG(22:0/20:1(11Z)/20:3n6),SIPMEYWYNOFDPB-VEQZWHHMSA-N
HMDB46545,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,39,45,48,62H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",HSVNCSFOPBAXOD,ZFTYDZEGSA,N,"TG(22:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",HSVNCSFOPBAXOD-ZFTYDZEGSA-N
HMDB46546,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,64H,4-15,17-18,20-24,26,29,31-63H2,1-3H3/b19-16-,28-25-,30-27-/t64-/m1/s1",GXSDDQFVRTYARY,GZJQBHTJSA,N,"TG(22:0/20:1(11Z)/22:2(13Z,16Z))",GXSDDQFVRTYARY-GZJQBHTJSA-N
HMDB46547,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,41,44,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,44-41-/t64-/m1/s1",LCYIDNOFSQKWEJ,UKSNOVQSSA,N,"TG(22:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",LCYIDNOFSQKWEJ-UKSNOVQSSA-N
HMDB46548,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,41,44,50,53,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,44-41-,53-50-/t64-/m1/s1",ZMULPFZFKKVXMH,YKZQWNLGSA,N,"TG(22:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZMULPFZFKKVXMH-YKZQWNLGSA-N
HMDB46549,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-/t60-/m1/s1",YWQYUQPMOLYBJW,ROPUVPJDSA,N,"TG(22:0/20:1(11Z)/18:3(9Z,12Z,15Z))",YWQYUQPMOLYBJW-ROPUVPJDSA-N
HMDB46550,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,40,43,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,43-40-/t60-/m1/s1",TUZZBILRHPBTHW,XUBHAFIFSA,N,"TG(22:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",TUZZBILRHPBTHW-XUBHAFIFSA-N
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HMDB46552,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",ALEKQMMQMCCAEH,TXVPVATRSA,N,"TG(22:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ALEKQMMQMCCAEH-TXVPVATRSA-N
HMDB46553,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,41,44,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,44-41-/t64-/m1/s1",XKZQYNKBLQXDGY,VTGAHXNRSA,N,"TG(22:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XKZQYNKBLQXDGY-VTGAHXNRSA-N
HMDB46554,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,41,44,50,53,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,44-41-,53-50-/t64-/m1/s1",YWJKVHWTEQYKLZ,LPHWYDTLSA,N,"TG(22:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YWJKVHWTEQYKLZ-LPHWYDTLSA-N
HMDB46555,958.929227028,C63H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,61H,4-25,27-28,30-60H2,1-3H3/b29-26-/t61-/m1/s1",XFSRNVJYWCLUGE,SFTFLQKMSA,N,TG(22:0/20:1(11Z)/o-18:0),XFSRNVJYWCLUGE-SFTFLQKMSA-N
HMDB46556,1024.9397917,C67H124O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,40,43,49,52,64H,4-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b30-27-,43-40-,52-49-",JEKORSPECNTXIK,JCFODMGISA,N,"TG(22:0/20:3(5Z,8Z,11Z)/22:0)",JEKORSPECNTXIK-JCFODMGISA-N
HMDB46557,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,42,45,51,54,66H,4-26,28-29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b30-27-,45-42-,54-51-/t66-/m0/s1",CABUIELYHFMWLW,ZMULBOENSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/24:0)",CABUIELYHFMWLW-ZMULBOENSA-N
HMDB46558,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,33,35,41,44,56H,4-14,16-17,19-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b18-15-,27-25-,35-33-,44-41-/t56-/m1/s1",NOKSAZGQKIQNMX,BDQITSHRSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/14:1(9Z))",NOKSAZGQKIQNMX-BDQITSHRSA-N
HMDB46559,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,34,37,43,46,58H,4-20,22-23,25,27,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b24-21-,28-26-,37-34-,46-43-/t58-/m1/s1",LWKAZICCJBIXBG,PYGGNLRSSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/16:1(9Z))",LWKAZICCJBIXBG-PYGGNLRSSA-N
HMDB46560,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,36,39,45,48,60H,4-20,22-23,25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b24-21-,29-26-,39-36-,48-45-/t60-/m1/s1",GKSQQYCZRSBFKG,DOAJSNOHSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/18:1(11Z))",GKSQQYCZRSBFKG-DOAJSNOHSA-N
HMDB46561,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34,36,39,45,48,60H,4-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",BGIMVPIMTCDTIR,NJOYNODISA,N,"TG(22:0/20:3(5Z,8Z,11Z)/18:1(9Z))",BGIMVPIMTCDTIR-NJOYNODISA-N
HMDB46562,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,38,41,47,50,62H,4-25,28,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b29-26-,30-27-,41-38-,50-47-/t62-/m1/s1",MBALONYQDVYXBP,HZXDYKCVSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/20:1(11Z))",MBALONYQDVYXBP-HZXDYKCVSA-N
HMDB46563,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,36,38-39,41,45,47-48,50,62H,4-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",YTPQDGWPBCUSDZ,IUBMNDFJSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",YTPQDGWPBCUSDZ-IUBMNDFJSA-N
HMDB46564,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,40,43,49,52,64H,4-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b28-25-,30-27-,43-40-,52-49-/t64-/m1/s1",CMQPYEBDGZYHQI,VHRSLTMISA,N,"TG(22:0/20:3(5Z,8Z,11Z)/22:1(13Z))",CMQPYEBDGZYHQI-VHRSLTMISA-N
HMDB46565,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,42,45,51,54,66H,4-24,26,29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b28-25-,30-27-,45-42-,54-51-/t66-/m0/s1",TUJKPXHZWMZWAW,VVWIUNOKSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/24:1(15Z))",TUJKPXHZWMZWAW-VVWIUNOKSA-N
HMDB46566,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,36,39,45,48,60H,4-17,19-20,22-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b21-18-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",XGXUDWBHHLLXEY,KESZXVECSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",XGXUDWBHHLLXEY-KESZXVECSA-N
HMDB46567,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,36,39-40,43,45,48,60H,4-17,19-20,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b21-18-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",OHGHFOMCCWAMGO,GGUDGPTISA,N,"TG(22:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",OHGHFOMCCWAMGO-GGUDGPTISA-N
HMDB46568,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,38,41,47,50,62H,4-16,18-19,21-25,28,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,50-47-/t62-/m1/s1",VFSICBAYFQVIAC,IRXJIVDMSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/20:2n6)",VFSICBAYFQVIAC-IRXJIVDMSA-N
HMDB46569,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,38-39,41,47,50,62H,4-16,18-19,21-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",ROQIEKDSBWWSTI,ORTXGSODSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/20:3n6)",ROQIEKDSBWWSTI-ORTXGSODSA-N
HMDB46570,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-16,18-19,21-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",JWPHNJGAKRJLHF,BUBBVUFDSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",JWPHNJGAKRJLHF-BUBBVUFDSA-N
HMDB46571,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,40,43,49,52,64H,4-15,17-18,20-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,28-25-,30-27-,43-40-,52-49-/t64-/m1/s1",LXYZJCSMXAGWIU,DHFCUHTESA,N,"TG(22:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",LXYZJCSMXAGWIU-DHFCUHTESA-N
HMDB46572,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",FAXKRCBKPYHMBE,IQYJJFRPSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",FAXKRCBKPYHMBE-IQYJJFRPSA-N
HMDB46573,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",PDCSTDATLWZANG,NNCCWKSESA,N,"TG(22:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PDCSTDATLWZANG-NNCCWKSESA-N
HMDB46574,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",COTBIHOOVUEBLQ,GPDRFHHZSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",COTBIHOOVUEBLQ-GPDRFHHZSA-N
HMDB46575,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,36,39-40,43,45,48,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",SKHLSBUQCIIWTN,JOOPXESASA,N,"TG(22:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",SKHLSBUQCIIWTN-JOOPXESASA-N
HMDB46576,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,36,38-39,41,47,50,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",UHBKZJOHHFZMOE,JDZBDMOMSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",UHBKZJOHHFZMOE-JDZBDMOMSA-N
HMDB46577,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",KPAASQZFFIAQOH,OKFLOGOBSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KPAASQZFFIAQOH-OKFLOGOBSA-N
HMDB46578,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",RVDWMTKHDMQDAJ,BJVXPNNYSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RVDWMTKHDMQDAJ-BJVXPNNYSA-N
HMDB46579,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",MFCHATNUMLOARP,OBAZTXSSSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MFCHATNUMLOARP-OBAZTXSSSA-N
HMDB46580,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,36,39,45,48,61H,4-25,27-28,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b29-26-,39-36-,48-45-/t61-/m1/s1",PLJUCVWMUHTXMN,UVXDFRCHSA,N,"TG(22:0/20:3(5Z,8Z,11Z)/o-18:0)",PLJUCVWMUHTXMN-UVXDFRCHSA-N
HMDB46581,1057.002391956,C69H132O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,66H,4-26,28-29,31-65H2,1-3H3/b30-27-",CPUHKWDHEMSBHG,IKPAITLHSA,N,TG(22:0/22:1(13Z)/22:0),CPUHKWDHEMSBHG-IKPAITLHSA-N
HMDB46582,1085.033692099,C71H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h27,30,68H,4-26,28-29,31-67H2,1-3H3/b30-27-/t68-/m0/s1",HHXGBAHWUIIELV,KFSBQQETSA,N,TG(22:0/22:1(13Z)/24:0),HHXGBAHWUIIELV-KFSBQQETSA-N
HMDB46583,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,58H,4-14,16-17,19-24,26,28-57H2,1-3H3/b18-15-,27-25-/t58-/m1/s1",ZUYMTPHHKSWXII,XCYFVEGBSA,N,TG(22:0/22:1(13Z)/14:1(9Z)),ZUYMTPHHKSWXII-XCYFVEGBSA-N
HMDB46584,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,60H,4-20,22-23,25,27,29-59H2,1-3H3/b24-21-,28-26-/t60-/m1/s1",UHIRVISANDDFQO,MOBNGOAYSA,N,TG(22:0/22:1(13Z)/16:1(9Z)),UHIRVISANDDFQO-MOBNGOAYSA-N
HMDB46585,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,62H,4-20,22-23,25,27-28,30-61H2,1-3H3/b24-21-,29-26-/t62-/m1/s1",WSMOHUQZVPNFNI,XQDJBIRFSA,N,TG(22:0/22:1(13Z)/18:1(11Z)),WSMOHUQZVPNFNI-XQDJBIRFSA-N
HMDB46586,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,36,62H,4-25,28,30-35,37-61H2,1-3H3/b29-26-,36-27-/t62-/m1/s1",MEVNQYCLBVNKSK,GNGQYKFXSA,N,TG(22:0/22:1(13Z)/18:1(9Z)),MEVNQYCLBVNKSK-GNGQYKFXSA-N
HMDB46587,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,64H,4-25,28,31-63H2,1-3H3/b29-26-,30-27-/t64-/m1/s1",HMRRFPLCFLTSNS,YCEQVXJPSA,N,TG(22:0/22:1(13Z)/20:1(11Z)),HMRRFPLCFLTSNS-YCEQVXJPSA-N
HMDB46588,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,38,41,47,50,64H,4-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",XQFMXRUAJNJWGG,SVTHOBAPSA,N,"TG(22:0/22:1(13Z)/20:3(5Z,8Z,11Z))",XQFMXRUAJNJWGG-SVTHOBAPSA-N
HMDB46589,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,66H,4-24,26,29,31-65H2,1-3H3/b28-25-,30-27-/t66-/m1/s1",VGEMVTDJCRZUBH,QFHVSVBDSA,N,TG(22:0/22:1(13Z)/22:1(13Z)),VGEMVTDJCRZUBH-QFHVSVBDSA-N
HMDB46590,1083.018042035,C71H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,68H,4-24,26,29,31-67H2,1-3H3/b28-25-,30-27-/t68-/m0/s1",FCFKSRDPXQCXAL,KCYFWPKFSA,N,TG(22:0/22:1(13Z)/24:1(15Z)),FCFKSRDPXQCXAL-KCYFWPKFSA-N
HMDB46591,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,62H,4-17,19-20,22-25,28,30-35,37-61H2,1-3H3/b21-18-,29-26-,36-27-/t62-/m1/s1",FGGCDEMUSHTSGL,DNTNZWHXSA,N,"TG(22:0/22:1(13Z)/18:2(9Z,12Z))",FGGCDEMUSHTSGL-DNTNZWHXSA-N
HMDB46592,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,42,45,62H,4-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,29-26-,36-27-,45-42-/t62-/m1/s1",XOGPDHSOFOHQHE,RJDBVKPPSA,N,"TG(22:0/22:1(13Z)/18:3(6Z,9Z,12Z))",XOGPDHSOFOHQHE-RJDBVKPPSA-N
HMDB46593,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,64H,4-17,19-20,22-25,28,31-63H2,1-3H3/b21-18-,29-26-,30-27-/t64-/m1/s1",KMVNNQKMAWYZAX,CTSCVJMLSA,N,TG(22:0/22:1(13Z)/20:2n6),KMVNNQKMAWYZAX-CTSCVJMLSA-N
HMDB46594,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,41,64H,4-17,19-20,22-25,28,31-37,39-40,42-63H2,1-3H3/b21-18-,29-26-,30-27-,41-38-/t64-/m1/s1",BJSYNDDANHAMKR,YPUKPDGYSA,N,TG(22:0/22:1(13Z)/20:3n6),BJSYNDDANHAMKR-YPUKPDGYSA-N
HMDB46595,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,41,47,50,64H,4-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b21-18-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",KTXHCOZKKNVDSL,DVKDCLNWSA,N,"TG(22:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",KTXHCOZKKNVDSL-DVKDCLNWSA-N
HMDB46596,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,66H,4-15,17-18,20-24,26,29,31-65H2,1-3H3/b19-16-,28-25-,30-27-/t66-/m1/s1",MVJAHMCOEGFXGZ,IHAVMNARSA,N,"TG(22:0/22:1(13Z)/22:2(13Z,16Z))",MVJAHMCOEGFXGZ-IHAVMNARSA-N
HMDB46597,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,37,43,46,66H,4-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,46-43-/t66-/m1/s1",LKMHLSFAVPIYAJ,YQPUQAFJSA,N,"TG(22:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",LKMHLSFAVPIYAJ-YQPUQAFJSA-N
HMDB46598,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,37,43,46,52,55,66H,4-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,46-43-,55-52-/t66-/m1/s1",DBKXXPRKGQOYRO,JJXBRJLJSA,N,"TG(22:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DBKXXPRKGQOYRO-JJXBRJLJSA-N
HMDB46599,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-/t62-/m1/s1",VKAJIZNRTIVOKO,YDWNVGIRSA,N,"TG(22:0/22:1(13Z)/18:3(9Z,12Z,15Z))",VKAJIZNRTIVOKO-YDWNVGIRSA-N
HMDB46600,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,42,45,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,45-42-/t62-/m1/s1",FBBRBCBRHALCDI,AWQYANJLSA,N,"TG(22:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",FBBRBCBRHALCDI-AWQYANJLSA-N
HMDB46601,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,41,64H,4-8,10-11,13-17,19-20,22-25,28,31-37,39-40,42-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-/t64-/m1/s1",RFUXUMXVWHYXNH,JHMZCGLNSA,N,"TG(22:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",RFUXUMXVWHYXNH-JHMZCGLNSA-N
HMDB46602,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,41,47,50,64H,4-8,10-11,13-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",PTIIKBBQRQRECZ,KRKLUWMHSA,N,"TG(22:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PTIIKBBQRQRECZ-KRKLUWMHSA-N
HMDB46603,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,37,43,46,66H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-,46-43-/t66-/m1/s1",BGEYDUVKWQCIKO,MFKDKUOUSA,N,"TG(22:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BGEYDUVKWQCIKO-MFKDKUOUSA-N
HMDB46604,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,37,43,46,52,55,66H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-,46-43-,55-52-/t66-/m1/s1",IFMIAHSJSBQVHF,QQIGCAROSA,N,"TG(22:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IFMIAHSJSBQVHF-QQIGCAROSA-N
HMDB46605,986.960527157,C65H126O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,63H,4-25,27-28,30-62H2,1-3H3/b29-26-/t63-/m1/s1",UILFEIXCSWJXQS,GDMFYWOWSA,N,TG(22:0/22:1(13Z)/o-18:0),UILFEIXCSWJXQS-GDMFYWOWSA-N
HMDB46606,1085.033692084,C71H136O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h25,28,68H,4-24,26-27,29-67H2,1-3H3/b28-25-",INKLAMGLBSWXKH,FVDSYPCUSA,N,TG(22:0/24:1(15Z)/22:0),INKLAMGLBSWXKH-FVDSYPCUSA-N
HMDB46607,1113.064992228,C73H140O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,70H,4-25,27-28,30-69H2,1-3H3/b29-26-/t70-/m0/s1",HYLXHXNMPONFMR,GSUOCMJMSA,N,TG(22:0/24:1(15Z)/24:0),HYLXHXNMPONFMR-GSUOCMJMSA-N
HMDB46608,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,60H,4-14,16-17,19-23,25,27-59H2,1-3H3/b18-15-,26-24-/t60-/m1/s1",KDBXLBUVLNGKSH,ITNNUTPKSA,N,TG(22:0/24:1(15Z)/14:1(9Z)),KDBXLBUVLNGKSH-ITNNUTPKSA-N
HMDB46609,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,62H,4-20,22-23,26,28-61H2,1-3H3/b24-21-,27-25-/t62-/m1/s1",PHPBUSHKHPZPJQ,NSCIWMOHSA,N,TG(22:0/24:1(15Z)/16:1(9Z)),PHPBUSHKHPZPJQ-NSCIWMOHSA-N
HMDB46610,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,64H,4-20,22-23,26-27,29-63H2,1-3H3/b24-21-,28-25-/t64-/m1/s1",STASCOAWRRAIPZ,NEAVALGVSA,N,TG(22:0/24:1(15Z)/18:1(11Z)),STASCOAWRRAIPZ-NEAVALGVSA-N
HMDB46611,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,38,64H,4-24,26,29-37,39-63H2,1-3H3/b28-25-,38-27-/t64-/m1/s1",MACANHZRXSWQQN,DVJNGOMDSA,N,TG(22:0/24:1(15Z)/18:1(9Z)),MACANHZRXSWQQN-DVJNGOMDSA-N
HMDB46612,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,66H,4-24,26,29,31-65H2,1-3H3/b28-25-,30-27-/t66-/m1/s1",VOLWXZKTEBAHNA,QFHVSVBDSA,N,TG(22:0/24:1(15Z)/20:1(11Z)),VOLWXZKTEBAHNA-QFHVSVBDSA-N
HMDB46613,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,40,43,49,52,66H,4-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b28-25-,30-27-,43-40-,52-49-/t66-/m1/s1",VGOCCPKIFJXECI,FQGWVMSDSA,N,"TG(22:0/24:1(15Z)/20:3(5Z,8Z,11Z))",VGOCCPKIFJXECI-FQGWVMSDSA-N
HMDB46614,1083.018042035,C71H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h25-26,28-29,68H,4-24,27,30-67H2,1-3H3/b28-25-,29-26-/t68-/m1/s1",WTNLDBOWIIFSJU,KJODDUBBSA,N,TG(22:0/24:1(15Z)/22:1(13Z)),WTNLDBOWIIFSJU-KJODDUBBSA-N
HMDB46615,1111.049342164,C73H138O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,70H,4-24,27,30-69H2,1-3H3/b28-25-,29-26-/t70-/m0/s1",BGSSEDXACKBXEF,SZJJQXAISA,N,TG(22:0/24:1(15Z)/24:1(15Z)),BGSSEDXACKBXEF-SZJJQXAISA-N
HMDB46616,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,38,64H,4-17,19-20,22-24,26,29-37,39-63H2,1-3H3/b21-18-,28-25-,38-27-/t64-/m1/s1",YENYJNSJLPCIEY,LXNXVSDASA,N,"TG(22:0/24:1(15Z)/18:2(9Z,12Z))",YENYJNSJLPCIEY-LXNXVSDASA-N
HMDB46617,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,38,44,47,64H,4-17,19-20,22-24,26,29-37,39-43,45-46,48-63H2,1-3H3/b21-18-,28-25-,38-27-,47-44-/t64-/m1/s1",DWBFDENULMQYEN,YACCONEYSA,N,"TG(22:0/24:1(15Z)/18:3(6Z,9Z,12Z))",DWBFDENULMQYEN-YACCONEYSA-N
HMDB46618,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,66H,4-17,19-20,22-24,26,29,31-65H2,1-3H3/b21-18-,28-25-,30-27-/t66-/m1/s1",KTBDNYIQKQJZTR,ZQXOHPJQSA,N,TG(22:0/24:1(15Z)/20:2n6),KTBDNYIQKQJZTR-ZQXOHPJQSA-N
HMDB46619,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,66H,4-17,19-20,22-24,26,29,31-39,41-42,44-65H2,1-3H3/b21-18-,28-25-,30-27-,43-40-/t66-/m1/s1",CYQXIDLJGTXIQF,VLYDUKISSA,N,TG(22:0/24:1(15Z)/20:3n6),CYQXIDLJGTXIQF-VLYDUKISSA-N
HMDB46620,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,49,52,66H,4-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,28-25-,30-27-,43-40-,52-49-/t66-/m1/s1",UVOBICGEHGSRKX,QWOMWQHBSA,N,"TG(22:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",UVOBICGEHGSRKX-QWOMWQHBSA-N
HMDB46621,1081.00239197,C71H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,68H,4-16,18-19,21-24,27,30-67H2,1-3H3/b20-17-,28-25-,29-26-/t68-/m1/s1",BSHNKGFDSGZNQB,QGCHZIISSA,N,"TG(22:0/24:1(15Z)/22:2(13Z,16Z))",BSHNKGFDSGZNQB-QGCHZIISSA-N
HMDB46622,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,36,39,45,48,68H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-/t68-/m1/s1",HIDHJVCYWRJSGX,NWPQRGTRSA,N,"TG(22:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",HIDHJVCYWRJSGX-NWPQRGTRSA-N
HMDB46623,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,36,39,45,48,54,57,68H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-,57-54-/t68-/m1/s1",ZKQUKOHIWIWUQI,WRZFEERNSA,N,"TG(22:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZKQUKOHIWIWUQI-WRZFEERNSA-N
HMDB46624,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-/t64-/m1/s1",AMCJLOAUJLFXRL,UEMJABDASA,N,"TG(22:0/24:1(15Z)/18:3(9Z,12Z,15Z))",AMCJLOAUJLFXRL-UEMJABDASA-N
HMDB46625,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,44,47,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-,47-44-/t64-/m1/s1",BGIQGZCAMZRFTJ,SAQUTDIFSA,N,"TG(22:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",BGIQGZCAMZRFTJ-SAQUTDIFSA-N
HMDB46626,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-/t66-/m1/s1",QPVBMWWWCZCEPN,BSPFKKARSA,N,"TG(22:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",QPVBMWWWCZCEPN-BSPFKKARSA-N
HMDB46627,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-,52-49-/t66-/m1/s1",RBHXBOTWADWNAO,YXEBKPRJSA,N,"TG(22:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RBHXBOTWADWNAO-YXEBKPRJSA-N
HMDB46628,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-/t68-/m1/s1",DSOZEGSFIJFFMB,WUUZKYHKSA,N,"TG(22:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DSOZEGSFIJFFMB-WUUZKYHKSA-N
HMDB46629,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-,57-54-/t68-/m1/s1",XVUWZFNXNZIBLX,LNZPNASSSA,N,"TG(22:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XVUWZFNXNZIBLX-LNZPNASSSA-N
HMDB46630,1014.991827286,C67H130O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,65H,4-24,26-27,29-64H2,1-3H3/b28-25-/t65-/m1/s1",QQYJNYRNNHVUCT,RDRFMKFZSA,N,TG(22:0/24:1(15Z)/o-18:0),QQYJNYRNNHVUCT-RDRFMKFZSA-N
HMDB46631,998.924141648,C65H122O6,[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,62H,4-17,19-20,22-26,28-35,37-61H2,1-3H3/b21-18-,36-27-",AHNDRJHZSGSUGR,UAEPZBKQSA,N,"TG(22:0/18:2(9Z,12Z)/22:0)",AHNDRJHZSGSUGR-UAEPZBKQSA-N
HMDB46632,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,38,64H,4-17,19-20,22-26,28-37,39-63H2,1-3H3/b21-18-,38-27-/t64-/m0/s1",CLBGGZJZUHLAAO,WRKXUXNMSA,N,"TG(22:0/18:2(9Z,12Z)/24:0)",CLBGGZJZUHLAAO-WRKXUXNMSA-N
HMDB46633,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,30,54H,4-14,16,19,21-24,26-29,31-53H2,1-3H3/b18-15-,20-17-,30-25-/t54-/m1/s1",FYOAFNBAIZJVFT,NTJLCKQPSA,N,"TG(22:0/18:2(9Z,12Z)/14:1(9Z))",FYOAFNBAIZJVFT-NTJLCKQPSA-N
HMDB46634,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,31,56H,4-16,18-19,22-23,25,27-30,32-55H2,1-3H3/b20-17-,24-21-,31-26-/t56-/m1/s1",QKZNILSTHNJCHU,PFXSIQJESA,N,"TG(22:0/18:2(9Z,12Z)/16:1(9Z))",QKZNILSTHNJCHU-PFXSIQJESA-N
HMDB46635,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,33,58H,4-17,19,22,24-26,28-32,34-57H2,1-3H3/b21-18-,23-20-,33-27-/t58-/m1/s1",BVJWKPOODLDRIT,PEABHCIMSA,N,"TG(22:0/18:2(9Z,12Z)/18:1(11Z))",BVJWKPOODLDRIT-PEABHCIMSA-N
HMDB46636,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,26-27,32-33,58H,4-17,19-20,22-25,28-31,34-57H2,1-3H3/b21-18-,32-26-,33-27-/t58-/m1/s1",POBQACNRSDFLSN,KWNVGJMZSA,N,"TG(22:0/18:2(9Z,12Z)/18:1(9Z))",POBQACNRSDFLSN-KWNVGJMZSA-N
HMDB46637,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,60H,4-17,19-20,22-25,28,30-33,35-59H2,1-3H3/b21-18-,29-26-,34-27-/t60-/m1/s1",CYNDYCIRXVVTMS,NYUYSZTLSA,N,"TG(22:0/18:2(9Z,12Z)/20:1(11Z))",CYNDYCIRXVVTMS-NYUYSZTLSA-N
HMDB46638,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34-35,37,43,46,60H,4-17,19-20,22-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b21-18-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",RNCIUDLIXBXAFK,OHUBGVLXSA,N,"TG(22:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",RNCIUDLIXBXAFK-OHUBGVLXSA-N
HMDB46639,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,62H,4-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b21-18-,28-25-,36-27-/t62-/m1/s1",WPWMGWCBJNHADM,VIRZPCQBSA,N,"TG(22:0/18:2(9Z,12Z)/22:1(13Z))",WPWMGWCBJNHADM-VIRZPCQBSA-N
HMDB46640,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,38,64H,4-17,19-20,22-24,26,29-37,39-63H2,1-3H3/b21-18-,28-25-,38-27-/t64-/m0/s1",OKKZAVFKRQYXOH,GQFYZXTCSA,N,"TG(22:0/18:2(9Z,12Z)/24:1(15Z))",OKKZAVFKRQYXOH-GQFYZXTCSA-N
HMDB46641,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,32-33,58H,4-16,19,22-25,28-31,34-57H2,1-3H3/b20-17-,21-18-,32-26-,33-27-/t58-/m1/s1",OEWUGNNMLZAOCV,HESLGCGWSA,N,"TG(22:0/18:2(9Z,12Z)/18:2(9Z,12Z))",OEWUGNNMLZAOCV-HESLGCGWSA-N
HMDB46642,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,32-33,38,41,58H,4-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b20-17-,21-18-,32-26-,33-27-,41-38-/t58-/m1/s1",YPBWWQSGUAWVFA,DHZQEJCYSA,N,"TG(22:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",YPBWWQSGUAWVFA-DHZQEJCYSA-N
HMDB46643,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,60H,4-16,19,22-25,28,30-33,35-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-/t60-/m1/s1",JCOSJHHIEGDUHK,WPTUVLMGSA,N,"TG(22:0/18:2(9Z,12Z)/20:2n6)",JCOSJHHIEGDUHK-WPTUVLMGSA-N
HMDB46644,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,37,60H,4-16,19,22-25,28,30-33,36,38-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,37-35-/t60-/m1/s1",FOFFTNBYEWWFON,GXOGTJNASA,N,"TG(22:0/18:2(9Z,12Z)/20:3n6)",FOFFTNBYEWWFON-GXOGTJNASA-N
HMDB46645,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,37,43,46,60H,4-16,19,22-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",WLCMTXXFZMOMHZ,HCQIXYHGSA,N,"TG(22:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",WLCMTXXFZMOMHZ-HCQIXYHGSA-N
HMDB46646,1008.908491572,C66H120O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,37,63H,4-15,17-18,20,22-23,26-27,29,31-36,38-62H2,1-3H3/b19-16-,24-21-,28-25-,37-30-",BUBXGCXGKOKWOS,JBRXBXFMSA,N,"TG(22:0/18:2(9Z,12Z)/22:2(13Z,16Z))",BUBXGCXGKOKWOS-JBRXBXFMSA-N
HMDB46647,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,39,42,62H,4-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,42-39-/t62-/m1/s1",PWYDGMKBUXWLGB,KLPMDPOHSA,N,"TG(22:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",PWYDGMKBUXWLGB-KLPMDPOHSA-N
HMDB46648,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,39,42,48,51,62H,4-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",BDJOHDNNWKJEOD,JWGOSTHMSA,N,"TG(22:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BDJOHDNNWKJEOD-JWGOSTHMSA-N
HMDB46649,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,32-33,58H,4-7,9-10,12-16,19,22-25,28-31,34-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-/t58-/m1/s1",RMEHXPZERYASOJ,MNJUFXRKSA,N,"TG(22:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",RMEHXPZERYASOJ-MNJUFXRKSA-N
HMDB46650,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,32-33,38,41,58H,4-7,9-10,12-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-,41-38-/t58-/m1/s1",ZNBYMXFWLHSYEM,QPALBHSNSA,N,"TG(22:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",ZNBYMXFWLHSYEM-QPALBHSNSA-N
HMDB46651,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,37,60H,4-7,9-10,12-16,19,22-25,28,30-33,36,38-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,37-35-/t60-/m1/s1",NUARLQSDFGRENY,DPBDSRLRSA,N,"TG(22:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",NUARLQSDFGRENY-DPBDSRLRSA-N
HMDB46652,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,37,43,46,60H,4-7,9-10,12-16,19,22-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",FVQOYAIDKQZPIA,RQYRNBLISA,N,"TG(22:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FVQOYAIDKQZPIA-RQYRNBLISA-N
HMDB46653,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,39,42,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-/t62-/m1/s1",PVFDWTGHWYWNCV,SJTOUDPHSA,N,"TG(22:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PVFDWTGHWYWNCV-SJTOUDPHSA-N
HMDB46654,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,39,42,48,51,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",SNEKQGNDMNVNGY,GJEYJCHISA,N,"TG(22:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SNEKQGNDMNVNGY-GJEYJCHISA-N
HMDB46655,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h18,21,27,33,59H,4-17,19-20,22-26,28-32,34-58H2,1-3H3/b21-18-,33-27-/t59-/m1/s1",GVNOVHPRZPBICJ,FMZYJFPSSA,N,"TG(22:0/18:2(9Z,12Z)/o-18:0)",GVNOVHPRZPBICJ-FMZYJFPSSA-N
HMDB46656,996.908491572,C65H120O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,44,47,62H,4-17,19-20,22-26,28-35,37-43,45-46,48-61H2,1-3H3/b21-18-,36-27-,47-44-",GRZRVUNUSNOLAE,JMVJJDGNSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/22:0)",GRZRVUNUSNOLAE-JMVJJDGNSA-N
HMDB46657,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,38,46,49,64H,4-17,19-20,22-26,28-37,39-45,47-48,50-63H2,1-3H3/b21-18-,38-27-,49-46-/t64-/m0/s1",BCUPBXKWPBEVRB,RNUQAFGTSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/24:0)",BCUPBXKWPBEVRB-RNUQAFGTSA-N
HMDB46658,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,30,36,39,54H,4-14,16,19,21-24,26-29,31-35,37-38,40-53H2,1-3H3/b18-15-,20-17-,30-25-,39-36-/t54-/m1/s1",OOXHPYMTHPKODA,FGMJLWFOSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/14:1(9Z))",OOXHPYMTHPKODA-FGMJLWFOSA-N
HMDB46659,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,31,38,41,56H,4-16,18-19,22-23,25,27-30,32-37,39-40,42-55H2,1-3H3/b20-17-,24-21-,31-26-,41-38-/t56-/m1/s1",JTKFTZAZMUHODD,YVZCUDKJSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/16:1(9Z))",JTKFTZAZMUHODD-YVZCUDKJSA-N
HMDB46660,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,33,40,43,58H,4-17,19,22,24-26,28-32,34-39,41-42,44-57H2,1-3H3/b21-18-,23-20-,33-27-,43-40-/t58-/m1/s1",IGCFSFMLNPLXMG,DCQATEPYSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/18:1(11Z))",IGCFSFMLNPLXMG-DCQATEPYSA-N
HMDB46661,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,26-27,32-33,40,43,58H,4-17,19-20,22-25,28-31,34-39,41-42,44-57H2,1-3H3/b21-18-,32-26-,33-27-,43-40-/t58-/m1/s1",IBFKGUJFNGJJRX,AOCQWRAGSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/18:1(9Z))",IBFKGUJFNGJJRX-AOCQWRAGSA-N
HMDB46662,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,42,45,60H,4-17,19-20,22-25,28,30-33,35-41,43-44,46-59H2,1-3H3/b21-18-,29-26-,34-27-,45-42-/t60-/m1/s1",PEOBDAPKUYNJDB,MYOXEBKRSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/20:1(11Z))",PEOBDAPKUYNJDB-MYOXEBKRSA-N
HMDB46663,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34-35,37,42-43,45-46,60H,4-17,19-20,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b21-18-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1",UYRLXLPLLFAUHZ,PLJKHQMYSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",UYRLXLPLLFAUHZ-PLJKHQMYSA-N
HMDB46664,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,44,47,62H,4-17,19-20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b21-18-,28-25-,36-27-,47-44-/t62-/m1/s1",SVEJVZMCLJAGFE,YHPWXXPPSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/22:1(13Z))",SVEJVZMCLJAGFE-YHPWXXPPSA-N
HMDB46665,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,38,46,49,64H,4-17,19-20,22-24,26,29-37,39-45,47-48,50-63H2,1-3H3/b21-18-,28-25-,38-27-,49-46-/t64-/m0/s1",LLHSQJQZUAUYBX,CFIVXPGZSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/24:1(15Z))",LLHSQJQZUAUYBX-CFIVXPGZSA-N
HMDB46666,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,32-33,40,43,58H,4-16,19,22-25,28-31,34-39,41-42,44-57H2,1-3H3/b20-17-,21-18-,32-26-,33-27-,43-40-/t58-/m1/s1",AKJZOMACUJDHRO,FZIAECBCSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",AKJZOMACUJDHRO-FZIAECBCSA-N
HMDB46667,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,32-33,38,40-41,43,58H,4-16,19,22-25,28-31,34-37,39,42,44-57H2,1-3H3/b20-17-,21-18-,32-26-,33-27-,41-38-,43-40-/t58-/m1/s1",BQVADGZORSUQAQ,NPKHEBIRSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",BQVADGZORSUQAQ-NPKHEBIRSA-N
HMDB46668,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,42,45,60H,4-16,19,22-25,28,30-33,35-41,43-44,46-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,45-42-/t60-/m1/s1",FEJZLHABNKUOEC,OZGNECFISA,N,"TG(22:0/18:3(6Z,9Z,12Z)/20:2n6)",FEJZLHABNKUOEC-OZGNECFISA-N
HMDB46669,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,37,42,45,60H,4-16,19,22-25,28,30-33,36,38-41,43-44,46-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,37-35-,45-42-/t60-/m1/s1",LABYNSUZQGFKHQ,YKIUAFIRSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/20:3n6)",LABYNSUZQGFKHQ-YKIUAFIRSA-N
HMDB46670,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,37,42-43,45-46,60H,4-16,19,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1",KRYVSSHUGIVFPY,UPOFVCIKSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",KRYVSSHUGIVFPY-UPOFVCIKSA-N
HMDB46671,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,36,44,47,62H,4-15,17,20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b19-16-,21-18-,28-25-,36-27-,47-44-/t62-/m1/s1",CIQSOUGZAOFKPP,JMKHHIPDSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",CIQSOUGZAOFKPP-JMKHHIPDSA-N
HMDB46672,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,39,42,44,47,62H,4-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-/t62-/m1/s1",WRXFGUWDCJTTHX,XWUFZFDGSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",WRXFGUWDCJTTHX-XWUFZFDGSA-N
HMDB46673,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,39,42,44,47-48,51,62H,4-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-,51-48-/t62-/m1/s1",XUSPIFVQEJYAFP,PCOYHICJSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XUSPIFVQEJYAFP-PCOYHICJSA-N
HMDB46674,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,32-33,40,43,58H,4-7,9-10,12-16,19,22-25,28-31,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-,43-40-/t58-/m1/s1",JFRKUAQPBUINTH,RPJOWCQSSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",JFRKUAQPBUINTH-RPJOWCQSSA-N
HMDB46675,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,32-33,38,40-41,43,58H,4-7,9-10,12-16,19,22-25,28-31,34-37,39,42,44-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-,41-38-,43-40-/t58-/m1/s1",QGXIDVYSTQWXJL,GZVNHMQLSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",QGXIDVYSTQWXJL-GZVNHMQLSA-N
HMDB46676,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,37,42,45,60H,4-7,9-10,12-16,19,22-25,28,30-33,36,38-41,43-44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-/t60-/m1/s1",JKAZMYUVQFQMCN,BLUYHVNPSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",JKAZMYUVQFQMCN-BLUYHVNPSA-N
HMDB46677,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,37,42-43,45-46,60H,4-7,9-10,12-16,19,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1",MPNBJXUQYBYLAM,ZFVYTVGJSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MPNBJXUQYBYLAM-ZFVYTVGJSA-N
HMDB46678,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,39,42,44,47,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-/t62-/m1/s1",GJWRDMCVYDXIDS,PUKGCBODSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GJWRDMCVYDXIDS-PUKGCBODSA-N
HMDB46679,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,39,42,44,47-48,51,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-,51-48-/t62-/m1/s1",HTKSDGGEYRVFIA,KRRPRGOHSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HTKSDGGEYRVFIA-KRRPRGOHSA-N
HMDB46680,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h18,21,27,33,40,43,59H,4-17,19-20,22-26,28-32,34-39,41-42,44-58H2,1-3H3/b21-18-,33-27-,43-40-/t59-/m1/s1",USAFSLJNOZHCHX,OLDLFXAKSA,N,"TG(22:0/18:3(6Z,9Z,12Z)/o-18:0)",USAFSLJNOZHCHX-OLDLFXAKSA-N
HMDB46681,1026.955441777,C67H126O6,[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,64H,4-17,19-20,22-26,28-29,31-63H2,1-3H3/b21-18-,30-27-",ZUIAJMZPCJSJKH,QYIMKBBWSA,N,TG(22:0/20:2n6/22:0),ZUIAJMZPCJSJKH-QYIMKBBWSA-N
HMDB46682,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,66H,4-17,19-20,22-26,28-29,31-65H2,1-3H3/b21-18-,30-27-/t66-/m0/s1",RYUTVLWEMCFIJU,WZMOLWEZSA,N,TG(22:0/20:2n6/24:0),RYUTVLWEMCFIJU-WZMOLWEZSA-N
HMDB46683,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,56H,4-14,16,19,21-24,26,28-55H2,1-3H3/b18-15-,20-17-,27-25-/t56-/m1/s1",PSVYHZVFDNGQJV,FMLOZAJZSA,N,TG(22:0/20:2n6/14:1(9Z)),PSVYHZVFDNGQJV-FMLOZAJZSA-N
HMDB46684,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,58H,4-16,18-19,22-23,25,27,29-57H2,1-3H3/b20-17-,24-21-,28-26-/t58-/m1/s1",UMZMGYWVBWXWDT,JFMOTOFNSA,N,TG(22:0/20:2n6/16:1(9Z)),UMZMGYWVBWXWDT-JFMOTOFNSA-N
HMDB46685,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,60H,4-16,18-19,22-23,25,27-28,30-59H2,1-3H3/b20-17-,24-21-,29-26-/t60-/m1/s1",ZDIISHVVPLAVCQ,HQMLJKSRSA,N,TG(22:0/20:2n6/18:1(11Z)),ZDIISHVVPLAVCQ-HQMLJKSRSA-N
HMDB46686,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,60H,4-16,18-19,21-25,28,30-33,35-59H2,1-3H3/b20-17-,29-26-,34-27-/t60-/m1/s1",JQGCOHUTHPKJNA,IIFQMVJHSA,N,TG(22:0/20:2n6/18:1(9Z)),JQGCOHUTHPKJNA-IIFQMVJHSA-N
HMDB46687,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,62H,4-17,19-20,22-25,28,31-61H2,1-3H3/b21-18-,29-26-,30-27-/t62-/m1/s1",PNASJLUCYXFCED,LFEBCEKESA,N,TG(22:0/20:2n6/20:1(11Z)),PNASJLUCYXFCED-LFEBCEKESA-N
HMDB46688,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,36,39,45,48,62H,4-17,19-20,22-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b21-18-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",CPTCFHQEIPMPIT,MEJYAEMISA,N,"TG(22:0/20:2n6/20:3(5Z,8Z,11Z))",CPTCFHQEIPMPIT-MEJYAEMISA-N
HMDB46689,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,64H,4-17,19-20,22-24,26,29,31-63H2,1-3H3/b21-18-,28-25-,30-27-/t64-/m1/s1",JLODIECHPPHXTQ,JWYMWVRASA,N,TG(22:0/20:2n6/22:1(13Z)),JLODIECHPPHXTQ-JWYMWVRASA-N
HMDB46690,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,66H,4-17,19-20,22-24,26,29,31-65H2,1-3H3/b21-18-,28-25-,30-27-/t66-/m0/s1",OTMKIZXFWDZNMF,IVFJTLMVSA,N,TG(22:0/20:2n6/24:1(15Z)),OTMKIZXFWDZNMF-IVFJTLMVSA-N
HMDB46691,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,60H,4-16,19,22-25,28,30-33,35-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-/t60-/m1/s1",DZABKADJKVACIK,WPTUVLMGSA,N,"TG(22:0/20:2n6/18:2(9Z,12Z))",DZABKADJKVACIK-WPTUVLMGSA-N
HMDB46692,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,40,43,60H,4-16,19,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,43-40-/t60-/m1/s1",PPOURTVWTVHRMU,PWFFWLJSSA,N,"TG(22:0/20:2n6/18:3(6Z,9Z,12Z))",PPOURTVWTVHRMU-PWFFWLJSSA-N
HMDB46693,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,62H,4-16,19,22-25,28,31-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-/t62-/m1/s1",OHCRRBDRBQNUNH,QEEUBVLASA,N,TG(22:0/20:2n6/20:2n6),OHCRRBDRBQNUNH-QEEUBVLASA-N
HMDB46694,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,39,62H,4-16,19,22-25,28,31-35,37-38,40-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-/t62-/m1/s1",SEWITVDEPJMUGS,OTAXIRAPSA,N,TG(22:0/20:2n6/20:3n6),SEWITVDEPJMUGS-OTAXIRAPSA-N
HMDB46695,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,39,45,48,62H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",UXSKQEOQCONKCY,UCDSZMBPSA,N,"TG(22:0/20:2n6/20:4(5Z,8Z,11Z,14Z))",UXSKQEOQCONKCY-UCDSZMBPSA-N
HMDB46696,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,64H,4-15,17,20,22-24,26,29,31-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-/t64-/m1/s1",BDWHGYQOGLUIEB,MYTLGNBGSA,N,"TG(22:0/20:2n6/22:2(13Z,16Z))",BDWHGYQOGLUIEB-MYTLGNBGSA-N
HMDB46697,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,41,44,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,44-41-/t64-/m1/s1",ZLYVSEURBPPVJV,VTYGYLMWSA,N,"TG(22:0/20:2n6/22:4(7Z,10Z,13Z,16Z))",ZLYVSEURBPPVJV-VTYGYLMWSA-N
HMDB46698,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,41,44,50,53,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,44-41-,53-50-/t64-/m1/s1",VEJZJNWMKPIAIU,HLWWQSCJSA,N,"TG(22:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",VEJZJNWMKPIAIU-HLWWQSCJSA-N
HMDB46699,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,60H,4-8,10-11,13-16,19,22-25,28,30-33,35-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-/t60-/m1/s1",HRJKHHJODKNNJK,QZHYZABFSA,N,"TG(22:0/20:2n6/18:3(9Z,12Z,15Z))",HRJKHHJODKNNJK-QZHYZABFSA-N
HMDB46700,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,40,43,60H,4-8,10-11,13-16,19,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,43-40-/t60-/m1/s1",QIGRMYCCQMEGIU,GRCDQXJASA,N,"TG(22:0/20:2n6/18:4(6Z,9Z,12Z,15Z))",QIGRMYCCQMEGIU-GRCDQXJASA-N
HMDB46701,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,39,62H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-/t62-/m1/s1",LWOVTEJWOAPACL,HWVHWWMYSA,N,"TG(22:0/20:2n6/20:4(8Z,11Z,14Z,17Z))",LWOVTEJWOAPACL-HWVHWWMYSA-N
HMDB46702,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,39,45,48,62H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",KTZYZSRPAGWOBY,ADAMCCPRSA,N,"TG(22:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",KTZYZSRPAGWOBY-ADAMCCPRSA-N
HMDB46703,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,41,44,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,44-41-/t64-/m1/s1",JOITTYNXZXXYMP,OWOHIJSJSA,N,"TG(22:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",JOITTYNXZXXYMP-OWOHIJSJSA-N
HMDB46704,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,41,44,50,53,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,44-41-,53-50-/t64-/m1/s1",PQXNVEAAKWDKEC,CZWAGJKZSA,N,"TG(22:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PQXNVEAAKWDKEC-CZWAGJKZSA-N
HMDB46705,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,61H,4-16,18-19,21-25,27-28,30-60H2,1-3H3/b20-17-,29-26-/t61-/m1/s1",NJFXQBUHWRCFMV,YAGAPKITSA,N,TG(22:0/20:2n6/o-18:0),NJFXQBUHWRCFMV-YAGAPKITSA-N
HMDB46706,1024.9397917,C67H124O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,64H,4-17,19-20,22-26,28-29,31-39,41-42,44-63H2,1-3H3/b21-18-,30-27-,43-40-",KMIOGJHAWAXGJX,MGAYXPIMSA,N,TG(22:0/20:3n6/22:0),KMIOGJHAWAXGJX-MGAYXPIMSA-N
HMDB46707,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,42,45,66H,4-17,19-20,22-26,28-29,31-41,43-44,46-65H2,1-3H3/b21-18-,30-27-,45-42-/t66-/m0/s1",RAZAIIOMOYISLZ,ULIKRKKISA,N,TG(22:0/20:3n6/24:0),RAZAIIOMOYISLZ-ULIKRKKISA-N
HMDB46708,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,33,35,56H,4-14,16,19,21-24,26,28-32,34,36-55H2,1-3H3/b18-15-,20-17-,27-25-,35-33-/t56-/m1/s1",GKSLZCTWAOOCMD,CWUNSCDFSA,N,TG(22:0/20:3n6/14:1(9Z)),GKSLZCTWAOOCMD-CWUNSCDFSA-N
HMDB46709,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,58H,4-16,18-19,22-23,25,27,29-33,35-36,38-57H2,1-3H3/b20-17-,24-21-,28-26-,37-34-/t58-/m1/s1",RETPNLDNHGHCKP,MVRAHNBMSA,N,TG(22:0/20:3n6/16:1(9Z)),RETPNLDNHGHCKP-MVRAHNBMSA-N
HMDB46710,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,36,39,60H,4-16,18-19,22-23,25,27-28,30-35,37-38,40-59H2,1-3H3/b20-17-,24-21-,29-26-,39-36-/t60-/m1/s1",MIDOZDIGHHQOQX,FNHXGNCZSA,N,TG(22:0/20:3n6/18:1(11Z)),MIDOZDIGHHQOQX-FNHXGNCZSA-N
HMDB46711,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,39,60H,4-16,18-19,21-25,28,30-33,35,37-38,40-59H2,1-3H3/b20-17-,29-26-,34-27-,39-36-/t60-/m1/s1",GDSOHLLQXYEIDF,NJEFQXLBSA,N,TG(22:0/20:3n6/18:1(9Z)),GDSOHLLQXYEIDF-NJEFQXLBSA-N
HMDB46712,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,41,62H,4-17,19-20,22-25,28,31-37,39-40,42-61H2,1-3H3/b21-18-,29-26-,30-27-,41-38-/t62-/m1/s1",ZKAVDPDWJJBYCK,RFTNMXKSSA,N,TG(22:0/20:3n6/20:1(11Z)),ZKAVDPDWJJBYCK-RFTNMXKSSA-N
HMDB46713,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,36,38-39,41,45,48,62H,4-17,19-20,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b21-18-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m1/s1",CHLQBYWGIGNHAX,VCVYUEMOSA,N,"TG(22:0/20:3n6/20:3(5Z,8Z,11Z))",CHLQBYWGIGNHAX-VCVYUEMOSA-N
HMDB46714,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,64H,4-17,19-20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b21-18-,28-25-,30-27-,43-40-/t64-/m1/s1",UMNAVTAWGYAONR,DIKRPCRRSA,N,TG(22:0/20:3n6/22:1(13Z)),UMNAVTAWGYAONR-DIKRPCRRSA-N
HMDB46715,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,42,45,66H,4-17,19-20,22-24,26,29,31-41,43-44,46-65H2,1-3H3/b21-18-,28-25-,30-27-,45-42-/t66-/m0/s1",LPYNXQTWTZMNGV,RVQBTMLASA,N,TG(22:0/20:3n6/24:1(15Z)),LPYNXQTWTZMNGV-RVQBTMLASA-N
HMDB46716,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,39,60H,4-16,19,22-25,28,30-33,35,37-38,40-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,39-36-/t60-/m1/s1",FRWFMVSCXNKUPX,UMPIFXHYSA,N,"TG(22:0/20:3n6/18:2(9Z,12Z))",FRWFMVSCXNKUPX-UMPIFXHYSA-N
HMDB46717,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,39-40,43,60H,4-16,19,22-25,28,30-33,35,37-38,41-42,44-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,39-36-,43-40-/t60-/m1/s1",NZPQLKPAJMTADW,KXCXIZSASA,N,"TG(22:0/20:3n6/18:3(6Z,9Z,12Z))",NZPQLKPAJMTADW-KXCXIZSASA-N
HMDB46718,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,41,62H,4-16,19,22-25,28,31-37,39-40,42-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-/t62-/m1/s1",TZJSLZNWXYMNHP,OFCGRXCLSA,N,TG(22:0/20:3n6/20:2n6),TZJSLZNWXYMNHP-OFCGRXCLSA-N
HMDB46719,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,38-39,41,62H,4-16,19,22-25,28,31-35,37,40,42-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-38-/t62-/m1/s1",IQLDKUVYYSFYDX,SDFYUHRTSA,N,TG(22:0/20:3n6/20:3n6),IQLDKUVYYSFYDX-SDFYUHRTSA-N
HMDB46720,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,38-39,41,45,48,62H,4-16,19,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m1/s1",QQGAGWDHEVVCNZ,QBMZOWRVSA,N,"TG(22:0/20:3n6/20:4(5Z,8Z,11Z,14Z))",QQGAGWDHEVVCNZ-QBMZOWRVSA-N
HMDB46721,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,40,43,64H,4-15,17,20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,43-40-/t64-/m1/s1",CPRDOXJZLAUHOY,CTQOOBEISA,N,"TG(22:0/20:3n6/22:2(13Z,16Z))",CPRDOXJZLAUHOY-CTQOOBEISA-N
HMDB46722,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,40-41,43-44,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-/t64-/m1/s1",NGBUGHYPFANBEP,VLSJHUQCSA,N,"TG(22:0/20:3n6/22:4(7Z,10Z,13Z,16Z))",NGBUGHYPFANBEP-VLSJHUQCSA-N
HMDB46723,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,40-41,43-44,50,53,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,53-50-/t64-/m1/s1",CEFWELBXKSHNJA,RMMGZVMTSA,N,"TG(22:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",CEFWELBXKSHNJA-RMMGZVMTSA-N
HMDB46724,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,39,60H,4-8,10-11,13-16,19,22-25,28,30-33,35,37-38,40-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,39-36-/t60-/m1/s1",YOUSHAZSTHBEJI,HIUQRNKPSA,N,"TG(22:0/20:3n6/18:3(9Z,12Z,15Z))",YOUSHAZSTHBEJI-HIUQRNKPSA-N
HMDB46725,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,39-40,43,60H,4-8,10-11,13-16,19,22-25,28,30-33,35,37-38,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-/t60-/m1/s1",NPZGTUQXQLKYKO,GHNIMMCBSA,N,"TG(22:0/20:3n6/18:4(6Z,9Z,12Z,15Z))",NPZGTUQXQLKYKO-GHNIMMCBSA-N
HMDB46726,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,38-39,41,62H,4-7,9-10,12-16,19,22-25,28,31-35,37,40,42-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-/t62-/m1/s1",WOMUHNSOIMYSMG,YZNWRCNWSA,N,"TG(22:0/20:3n6/20:4(8Z,11Z,14Z,17Z))",WOMUHNSOIMYSMG-YZNWRCNWSA-N
HMDB46727,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,38-39,41,45,48,62H,4-7,9-10,12-16,19,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m1/s1",VKRMTEAVNPZDBN,AQNGPYNPSA,N,"TG(22:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",VKRMTEAVNPZDBN-AQNGPYNPSA-N
HMDB46728,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,40-41,43-44,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-/t64-/m1/s1",QIWQFRMBPBGBDI,BTGBGTPLSA,N,"TG(22:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",QIWQFRMBPBGBDI-BTGBGTPLSA-N
HMDB46729,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,40-41,43-44,50,53,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,53-50-/t64-/m1/s1",QJKDWIDEPJCXRD,PKCPUADYSA,N,"TG(22:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QJKDWIDEPJCXRD-PKCPUADYSA-N
HMDB46730,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,61H,4-16,18-19,21-25,27-28,30-35,37-38,40-60H2,1-3H3/b20-17-,29-26-,39-36-/t61-/m1/s1",FATDEJIPCRXHBE,OXDZVLJVSA,N,TG(22:0/20:3n6/o-18:0),FATDEJIPCRXHBE-OXDZVLJVSA-N
HMDB46731,1022.924141636,C67H122O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,49,52,64H,4-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,30-27-,43-40-,52-49-",PGRNLHXSDXEUIH,OBOWEAELSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:0)",PGRNLHXSDXEUIH-OBOWEAELSA-N
HMDB46732,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,42,45,51,54,66H,4-17,19-20,22-26,28-29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b21-18-,30-27-,45-42-,54-51-/t66-/m0/s1",QURAWWLAHKCOKF,ZBLRDLEISA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/24:0)",QURAWWLAHKCOKF-ZBLRDLEISA-N
HMDB46733,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,33,35,41,44,56H,4-14,16,19,21-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b18-15-,20-17-,27-25-,35-33-,44-41-/t56-/m1/s1",GFCGLBRORXDSQV,IYYNWZBMSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))",GFCGLBRORXDSQV-IYYNWZBMSA-N
HMDB46734,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,43,46,58H,4-16,18-19,22-23,25,27,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,24-21-,28-26-,37-34-,46-43-/t58-/m1/s1",HWSHBZZHEZWOLR,JUPJFUQKSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",HWSHBZZHEZWOLR-JUPJFUQKSA-N
HMDB46735,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,36,39,45,48,60H,4-16,18-19,22-23,25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,24-21-,29-26-,39-36-,48-45-/t60-/m1/s1",MEEWQDGSGNOSQP,GEGMZPCCSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",MEEWQDGSGNOSQP-GEGMZPCCSA-N
HMDB46736,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,39,45,48,60H,4-16,18-19,21-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",XTFHDFLJLDMULJ,BSBHVWGUSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",XTFHDFLJLDMULJ-BSBHVWGUSA-N
HMDB46737,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,41,47,50,62H,4-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b21-18-,29-26-,30-27-,41-38-,50-47-/t62-/m1/s1",YFDOMOYTIKIZMC,DGOBJANNSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",YFDOMOYTIKIZMC-DGOBJANNSA-N
HMDB46738,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-17,19-20,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",BGOFXAOCEDRCTI,OMYWCGBPSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",BGOFXAOCEDRCTI-OMYWCGBPSA-N
HMDB46739,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,49,52,64H,4-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,28-25-,30-27-,43-40-,52-49-/t64-/m1/s1",JISGWNRCRHEPNS,JYALISFBSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",JISGWNRCRHEPNS-JYALISFBSA-N
HMDB46740,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,42,45,51,54,66H,4-17,19-20,22-24,26,29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b21-18-,28-25-,30-27-,45-42-,54-51-/t66-/m0/s1",SAKMGDXMNONUNL,KFDGCAKQSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",SAKMGDXMNONUNL-KFDGCAKQSA-N
HMDB46741,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,39,45,48,60H,4-16,19,22-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",IKHPWHNVYZLELL,GUXUWGKWSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",IKHPWHNVYZLELL-GUXUWGKWSA-N
HMDB46742,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,39-40,43,45,48,60H,4-16,19,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",ACCTVXAAPHDPDC,MZJISRRESA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",ACCTVXAAPHDPDC-MZJISRRESA-N
HMDB46743,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,41,47,50,62H,4-16,19,22-25,28,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,50-47-/t62-/m1/s1",MYDOGIDLRSODOO,IYAMHWEUSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)",MYDOGIDLRSODOO-IYAMHWEUSA-N
HMDB46744,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,38-39,41,47,50,62H,4-16,19,22-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",PVBONXLKMGMNSV,YATUWOPMSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)",PVBONXLKMGMNSV-YATUWOPMSA-N
HMDB46745,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-16,19,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",FOCWOKHFPSDICF,DMSMQTOYSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",FOCWOKHFPSDICF-DMSMQTOYSA-N
HMDB46746,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,40,43,49,52,64H,4-15,17,20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,43-40-,52-49-/t64-/m1/s1",QMFVCPQCINPZKB,DOIARMDRSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",QMFVCPQCINPZKB-DOIARMDRSA-N
HMDB46747,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",SQHRSQUQKIPMDY,PLGAFKTMSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",SQHRSQUQKIPMDY-PLGAFKTMSA-N
HMDB46748,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",AOZUQFVSXXBPSY,GKHULFALSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AOZUQFVSXXBPSY-GKHULFALSA-N
HMDB46749,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,39,45,48,60H,4-8,10-11,13-16,19,22-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",ZCSGTMQNDZTUGD,DOLSLDHKSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",ZCSGTMQNDZTUGD-DOLSLDHKSA-N
HMDB46750,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,39-40,43,45,48,60H,4-8,10-11,13-16,19,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",YKVDFZOAUOIXCA,LAINSVEPSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",YKVDFZOAUOIXCA-LAINSVEPSA-N
HMDB46751,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,38-39,41,47,50,62H,4-7,9-10,12-16,19,22-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",QCPGAWYREMQCCL,HBUNYTKYSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",QCPGAWYREMQCCL-HBUNYTKYSA-N
HMDB46752,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-16,19,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",QETYSDWXTRBADY,VPRAXDTKSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QETYSDWXTRBADY-VPRAXDTKSA-N
HMDB46753,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",DDYKWZCUXRSZIO,LYPHIVKTSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DDYKWZCUXRSZIO-LYPHIVKTSA-N
HMDB46754,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",XLTCLLIINKXTSM,LYWOLQNXSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XLTCLLIINKXTSM-LYWOLQNXSA-N
HMDB46755,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,61H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b20-17-,29-26-,39-36-,48-45-/t61-/m1/s1",JDBIUXJWGUOYCR,FYOBVNDYSA,N,"TG(22:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)",JDBIUXJWGUOYCR-FYOBVNDYSA-N
HMDB46756,1054.986741892,C69H130O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,66H,4-17,19-20,22-26,28-29,31-65H2,1-3H3/b21-18-,30-27-",FDCGWLHBNZVOHW,QYIMKBBWSA,N,"TG(22:0/22:2(13Z,16Z)/22:0)",FDCGWLHBNZVOHW-QYIMKBBWSA-N
HMDB46757,1083.018042035,C71H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,68H,4-17,19-20,22-26,28-29,31-67H2,1-3H3/b21-18-,30-27-/t68-/m0/s1",RWAZZZDWHZQFSY,HTEMQQLUSA,N,"TG(22:0/22:2(13Z,16Z)/24:0)",RWAZZZDWHZQFSY-HTEMQQLUSA-N
HMDB46758,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,58H,4-14,16,19,21-24,26,28-57H2,1-3H3/b18-15-,20-17-,27-25-/t58-/m1/s1",CQQRPMOWXSEZTP,QUIYVIRQSA,N,"TG(22:0/22:2(13Z,16Z)/14:1(9Z))",CQQRPMOWXSEZTP-QUIYVIRQSA-N
HMDB46759,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,60H,4-16,18-19,22-23,25,27,29-59H2,1-3H3/b20-17-,24-21-,28-26-/t60-/m1/s1",WHBOQNGVRPUVKB,XQVSIXSYSA,N,"TG(22:0/22:2(13Z,16Z)/16:1(9Z))",WHBOQNGVRPUVKB-XQVSIXSYSA-N
HMDB46760,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,62H,4-16,18-19,22-23,25,27-28,30-61H2,1-3H3/b20-17-,24-21-,29-26-/t62-/m1/s1",YZWJJGDGRKTPRA,PMNSJIPLSA,N,"TG(22:0/22:2(13Z,16Z)/18:1(11Z))",YZWJJGDGRKTPRA-PMNSJIPLSA-N
HMDB46761,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36,62H,4-16,18-19,21-25,28,30-35,37-61H2,1-3H3/b20-17-,29-26-,36-27-/t62-/m1/s1",VACPFKVRYQCYMI,GLCONDBNSA,N,"TG(22:0/22:2(13Z,16Z)/18:1(9Z))",VACPFKVRYQCYMI-GLCONDBNSA-N
HMDB46762,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,64H,4-16,18-19,21-25,28,31-63H2,1-3H3/b20-17-,29-26-,30-27-/t64-/m1/s1",BUXYUWXRPNYGQI,MBGADOIYSA,N,"TG(22:0/22:2(13Z,16Z)/20:1(11Z))",BUXYUWXRPNYGQI-MBGADOIYSA-N
HMDB46763,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,38,41,47,50,64H,4-16,18-19,21-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",IBEKVQLDXWXWKU,LLUSZMQPSA,N,"TG(22:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",IBEKVQLDXWXWKU-LLUSZMQPSA-N
HMDB46764,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,66H,4-17,19-20,22-24,26,29,31-65H2,1-3H3/b21-18-,28-25-,30-27-/t66-/m1/s1",CZFWJCZZVYXFDI,ZQXOHPJQSA,N,"TG(22:0/22:2(13Z,16Z)/22:1(13Z))",CZFWJCZZVYXFDI-ZQXOHPJQSA-N
HMDB46765,1081.00239197,C71H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,68H,4-17,19-20,22-24,26,29,31-67H2,1-3H3/b21-18-,28-25-,30-27-/t68-/m0/s1",WCVVHUNNQPURQZ,PRLBDNRYSA,N,"TG(22:0/22:2(13Z,16Z)/24:1(15Z))",WCVVHUNNQPURQZ-PRLBDNRYSA-N
HMDB46766,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,62H,4-16,19,22-25,28,30-35,37-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-/t62-/m1/s1",RLVFJAIACUQATA,AKUKLKJESA,N,"TG(22:0/22:2(13Z,16Z)/18:2(9Z,12Z))",RLVFJAIACUQATA-AKUKLKJESA-N
HMDB46767,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,42,45,62H,4-16,19,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,45-42-/t62-/m1/s1",LMOYMYNMDAOBIU,XJKHKBQUSA,N,"TG(22:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",LMOYMYNMDAOBIU-XJKHKBQUSA-N
HMDB46768,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,64H,4-16,19,22-25,28,31-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-/t64-/m1/s1",BZTCUBVIYDMTPI,WFPJBSCESA,N,"TG(22:0/22:2(13Z,16Z)/20:2n6)",BZTCUBVIYDMTPI-WFPJBSCESA-N
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HMDB46771,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,66H,4-15,17,20,22-24,26,29,31-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-/t66-/m1/s1",UIVNLQWDUJCYBX,VBYGZUTISA,N,"TG(22:0/22:2(13Z,16Z)/22:2(13Z,16Z))",UIVNLQWDUJCYBX-VBYGZUTISA-N
HMDB46772,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,37,43,46,66H,4-15,17,20,22-24,26,29,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,46-43-/t66-/m1/s1",NWHBCXPZKDGMDW,YRJWPXGNSA,N,"TG(22:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",NWHBCXPZKDGMDW-YRJWPXGNSA-N
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HMDB46774,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-/t62-/m1/s1",KBUQSMQHSPUXRC,DJZXHQQYSA,N,"TG(22:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",KBUQSMQHSPUXRC-DJZXHQQYSA-N
HMDB46775,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,42,45,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,45-42-/t62-/m1/s1",KTTZAEVRAMCERY,FXPZSYMKSA,N,"TG(22:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",KTTZAEVRAMCERY-FXPZSYMKSA-N
HMDB46776,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,41,64H,4-8,10-11,13-16,19,22-25,28,31-37,39-40,42-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-/t64-/m1/s1",DPVMTONMTUACPJ,PURPISISSA,N,"TG(22:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",DPVMTONMTUACPJ-PURPISISSA-N
HMDB46777,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,41,47,50,64H,4-8,10-11,13-16,19,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",YUBCJQJEDAZJJX,ZWZTXKEQSA,N,"TG(22:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YUBCJQJEDAZJJX-ZWZTXKEQSA-N
HMDB46778,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,37,43,46,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,46-43-/t66-/m1/s1",BWCSIWYMYSMXQO,WOEWMFDGSA,N,"TG(22:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BWCSIWYMYSMXQO-WOEWMFDGSA-N
HMDB46779,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,37,43,46,52,55,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,46-43-,55-52-/t66-/m1/s1",IMLJIVUVLRRMIE,APHVELGESA,N,"TG(22:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IMLJIVUVLRRMIE-APHVELGESA-N
HMDB46780,984.944877093,C65H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,63H,4-16,18-19,21-25,27-28,30-62H2,1-3H3/b20-17-,29-26-/t63-/m1/s1",PJHZFVGNKMWTGY,URTCAEPCSA,N,"TG(22:0/22:2(13Z,16Z)/o-18:0)",PJHZFVGNKMWTGY-URTCAEPCSA-N
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HMDB46782,1078.986741906,C71H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,37,41,47,50,68H,4-17,19-20,22-26,28-29,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b21-18-,30-27-,41-37-,50-47-/t68-/m0/s1",JQXZGVANSCWIAJ,IQHGZXFUSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/24:0)",JQXZGVANSCWIAJ-IQHGZXFUSA-N
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HMDB46785,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,33,35,41,44,62H,4-16,18-19,22-23,25,27-28,30-32,34,36-40,42-43,45-61H2,1-3H3/b20-17-,24-21-,29-26-,35-33-,44-41-/t62-/m1/s1",BIEFALUDLZGNHA,AHBBKZIDSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))",BIEFALUDLZGNHA-AHBBKZIDSA-N
HMDB46786,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,33,35-36,41,44,62H,4-16,18-19,21-25,28,30-32,34,37-40,42-43,45-61H2,1-3H3/b20-17-,29-26-,35-33-,36-27-,44-41-/t62-/m1/s1",BQFUCZGYFAHKAX,HIPWXNATSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",BQFUCZGYFAHKAX-HIPWXNATSA-N
HMDB46787,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,34,37,43,46,64H,4-16,18-19,21-25,28,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,29-26-,30-27-,37-34-,46-43-/t64-/m1/s1",WKMBQTOIGWBMDK,JTXDPLALSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",WKMBQTOIGWBMDK-JTXDPLALSA-N
HMDB46788,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-16,18-19,21-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b20-17-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",IFYKHRSCEXSMGU,QXEZUQRPSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",IFYKHRSCEXSMGU-QXEZUQRPSA-N
HMDB46789,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,36,39,45,48,66H,4-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b21-18-,28-25-,30-27-,39-36-,48-45-/t66-/m1/s1",HURQNIZIOJODQQ,SVQDGALSSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",HURQNIZIOJODQQ-SVQDGALSSA-N
HMDB46790,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,37,41,47,50,68H,4-17,19-20,22-24,26,29,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b21-18-,28-25-,30-27-,41-37-,50-47-/t68-/m0/s1",XVBKQYWIXFZNEN,XYQJPZOVSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",XVBKQYWIXFZNEN-XYQJPZOVSA-N
HMDB46791,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,33,35-36,41,44,62H,4-16,19,22-25,28,30-32,34,37-40,42-43,45-61H2,1-3H3/b20-17-,21-18-,29-26-,35-33-,36-27-,44-41-/t62-/m1/s1",RLMOQONIRAJWFW,YKRBEFHZSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",RLMOQONIRAJWFW-YKRBEFHZSA-N
HMDB46792,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,33,35-36,41-42,44-45,62H,4-16,19,22-25,28,30-32,34,37-40,43,46-61H2,1-3H3/b20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-/t62-/m1/s1",LMLRVFDGGPKOGO,UZTMUZEQSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",LMLRVFDGGPKOGO-UZTMUZEQSA-N
HMDB46793,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,34,37,43,46,64H,4-16,19,22-25,28,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,37-34-,46-43-/t64-/m1/s1",PBGRFFFSJHRYGT,SIJVAHLWSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)",PBGRFFFSJHRYGT-SIJVAHLWSA-N
HMDB46794,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,34,37-38,41,43,46,64H,4-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-/t64-/m1/s1",WOMGSRFCSWFOFK,NRXRCBLPSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)",WOMGSRFCSWFOFK-NRXRCBLPSA-N
HMDB46795,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",RPDWZWQKZIELRR,NIHRUTRPSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",RPDWZWQKZIELRR-NIHRUTRPSA-N
HMDB46796,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,36,39,45,48,66H,4-15,17,20,22-24,26,29,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,39-36-,48-45-/t66-/m1/s1",ASTUFWVUVJZRIO,MJWNXHRTSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",ASTUFWVUVJZRIO-MJWNXHRTSA-N
HMDB46797,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,66H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t66-/m1/s1",BAQRJOIVRIGKII,MNYZVUJLSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",BAQRJOIVRIGKII-MNYZVUJLSA-N
HMDB46798,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,55,66H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-/t66-/m1/s1",CMEKMMUANZRBQI,HGRDVWHDSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CMEKMMUANZRBQI-HGRDVWHDSA-N
HMDB46799,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,33,35-36,41,44,62H,4-8,10-11,13-16,19,22-25,28,30-32,34,37-40,42-43,45-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-/t62-/m1/s1",PBEALYLLVAXZHZ,ONIJRRDUSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",PBEALYLLVAXZHZ-ONIJRRDUSA-N
HMDB46800,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,33,35-36,41-42,44-45,62H,4-8,10-11,13-16,19,22-25,28,30-32,34,37-40,43,46-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-/t62-/m1/s1",WWDPDCUVSXTLCT,XWKFREEYSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",WWDPDCUVSXTLCT-XWKFREEYSA-N
HMDB46801,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,34,37-38,41,43,46,64H,4-8,10-11,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-/t64-/m1/s1",LDOFXDPBYVKCAR,HDIREYGLSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",LDOFXDPBYVKCAR-HDIREYGLSA-N
HMDB46802,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-8,10-11,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",RYFAVHISRZCPEZ,GNZBTDRKSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RYFAVHISRZCPEZ-GNZBTDRKSA-N
HMDB46803,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t66-/m1/s1",ITHVFHCYWZSJDL,JLTOGQDSSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ITHVFHCYWZSJDL-JLTOGQDSSA-N
HMDB46804,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,55,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-/t66-/m1/s1",HVBMCOSHNGGPAS,IKLQVGHBSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HVBMCOSHNGGPAS-IKLQVGHBSA-N
HMDB46805,980.913576964,C65H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,41,44,63H,4-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-62H2,1-3H3/b20-17-,29-26-,36-34-,44-41-/t63-/m1/s1",QKNZSTPKVWFGKW,RXWOXXSXSA,N,"TG(22:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)",QKNZSTPKVWFGKW-RXWOXXSXSA-N
HMDB46806,1048.9397917,C69H124O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,45,48,54,57,66H,4-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b21-18-,30-27-,39-36-,48-45-,57-54-",CROSNRNENYKJOV,OSNZWEOYSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)",CROSNRNENYKJOV-OSNZWEOYSA-N
HMDB46807,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,37,41,47,50,56,59,68H,4-17,19-20,22-26,28-29,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b21-18-,30-27-,41-37-,50-47-,59-56-/t68-/m0/s1",GSCKJZUQBUSVGK,MLBWEBPUSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)",GSCKJZUQBUSVGK-MLBWEBPUSA-N
HMDB46808,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,31,33,37,40,46,49,58H,4-14,16,19,21-24,26,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b18-15-,20-17-,27-25-,33-31-,40-37-,49-46-/t58-/m1/s1",JGXCRUSOVZJWGK,WSXQYJMQSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))",JGXCRUSOVZJWGK-WSXQYJMQSA-N
HMDB46809,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,32,34,39,42,48,51,60H,4-16,18-19,22-23,25,27,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b20-17-,24-21-,28-26-,34-32-,42-39-,51-48-/t60-/m1/s1",XFCIPVYPNCSGSK,NHVKAKLUSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",XFCIPVYPNCSGSK-NHVKAKLUSA-N
HMDB46810,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,33,35,41,44,50,53,62H,4-16,18-19,22-23,25,27-28,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,24-21-,29-26-,35-33-,44-41-,53-50-/t62-/m1/s1",XBZWHRKRRYDUCD,QKVWOYSTSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",XBZWHRKRRYDUCD-QKVWOYSTSA-N
HMDB46811,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,33,35-36,41,44,50,53,62H,4-16,18-19,21-25,28,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m1/s1",XWFHGHVKFJPYPW,DBTFJUGTSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",XWFHGHVKFJPYPW-DBTFJUGTSA-N
HMDB46812,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,34,37,43,46,52,55,64H,4-16,18-19,21-25,28,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,29-26-,30-27-,37-34-,46-43-,55-52-/t64-/m1/s1",HSVRVZZVAZIJMM,FNKHBTCGSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",HSVRVZZVAZIJMM-FNKHBTCGSA-N
HMDB46813,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-16,18-19,21-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b20-17-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",QVXCSOFGLFPCPD,TXZKTSGESA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",QVXCSOFGLFPCPD-TXZKTSGESA-N
HMDB46814,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,36,39,45,48,54,57,66H,4-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b21-18-,28-25-,30-27-,39-36-,48-45-,57-54-/t66-/m1/s1",VYFUKHQHOXKFRS,KUPCICSXSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",VYFUKHQHOXKFRS-KUPCICSXSA-N
HMDB46815,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,37,41,47,50,56,59,68H,4-17,19-20,22-24,26,29,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b21-18-,28-25-,30-27-,41-37-,50-47-,59-56-/t68-/m0/s1",FBCAWNOFDBXDOY,MRFAPBLKSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",FBCAWNOFDBXDOY-MRFAPBLKSA-N
HMDB46816,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,33,35-36,41,44,50,53,62H,4-16,19,22-25,28,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m1/s1",VCWSRMXQABXQPB,DMVQQWQISA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",VCWSRMXQABXQPB-DMVQQWQISA-N
HMDB46817,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,33,35-36,41-42,44-45,50,53,62H,4-16,19,22-25,28,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-/t62-/m1/s1",RGFYIXAYCURBBC,FZHBTNQLSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",RGFYIXAYCURBBC-FZHBTNQLSA-N
HMDB46818,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,34,37,43,46,52,55,64H,4-16,19,22-25,28,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,37-34-,46-43-,55-52-/t64-/m1/s1",BQQLSGVZXVFNKT,BFYMYBDNSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",BQQLSGVZXVFNKT-BFYMYBDNSA-N
HMDB46819,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,34,37-38,41,43,46,52,55,64H,4-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-/t64-/m1/s1",KKEJXVRXWRAEHL,RHLIYWPUSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",KKEJXVRXWRAEHL-RHLIYWPUSA-N
HMDB46820,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",GYOIVBOOZGMPTI,LEVQZDETSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",GYOIVBOOZGMPTI-LEVQZDETSA-N
HMDB46821,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,36,39,45,48,54,57,66H,4-15,17,20,22-24,26,29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,39-36-,48-45-,57-54-/t66-/m1/s1",XKTHHCOQIQRDCH,MUXCYBINSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",XKTHHCOQIQRDCH-MUXCYBINSA-N
HMDB46822,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,54,57,66H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-/t66-/m1/s1",UDDBRBUNZCDHRP,FCIUPIIOSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",UDDBRBUNZCDHRP-FCIUPIIOSA-N
HMDB46823,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1",PXHHEXMKVQZNBP,LNZPQOLISA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PXHHEXMKVQZNBP-LNZPQOLISA-N
HMDB46824,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,33,35-36,41,44,50,53,62H,4-8,10-11,13-16,19,22-25,28,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m1/s1",DSFTVVAKHLHYHG,VPTFDJISSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",DSFTVVAKHLHYHG-VPTFDJISSA-N
HMDB46825,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,33,35-36,41-42,44-45,50,53,62H,4-8,10-11,13-16,19,22-25,28,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-/t62-/m1/s1",CXBGJAVGFHIEML,OQSHGFKQSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",CXBGJAVGFHIEML-OQSHGFKQSA-N
HMDB46826,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,34,37-38,41,43,46,52,55,64H,4-8,10-11,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-/t64-/m1/s1",ICNTYCYXJDZXFW,QOKNEYRYSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",ICNTYCYXJDZXFW-QOKNEYRYSA-N
HMDB46827,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-8,10-11,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",CTBSKLMSGOYPAH,VMKKKJJUSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CTBSKLMSGOYPAH-VMKKKJJUSA-N
HMDB46828,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-/t66-/m1/s1",WGYWIAQENRQHNO,GLKXDPFQSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WGYWIAQENRQHNO-GLKXDPFQSA-N
HMDB46829,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1",DGWBYKPLDZWJEN,QIWABTRRSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DGWBYKPLDZWJEN-QIWABTRRSA-N
HMDB46830,978.8979269,C65H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,41,44,50,53,63H,4-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b20-17-,29-26-,36-34-,44-41-,53-50-/t63-/m1/s1",LRYAETILZNXGHT,OACHKBFBSA,N,"TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",LRYAETILZNXGHT-OACHKBFBSA-N
HMDB46831,996.908491572,C65H120O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-61H2,1-3H3/b12-9-,21-18-,36-27-",VXBVUHHSSPTMMM,OMIWQBHTSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/22:0)",VXBVUHHSSPTMMM-OMIWQBHTSA-N
HMDB46832,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-63H2,1-3H3/b12-9-,21-18-,38-27-/t64-/m0/s1",OOKUGYPWWJMEPN,OOLBFAKTSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/24:0)",OOKUGYPWWJMEPN-OOLBFAKTSA-N
HMDB46833,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-/t54-/m1/s1",QEYIHHBEALJAPR,ROXUKPIWSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/14:1(9Z))",QEYIHHBEALJAPR-ROXUKPIWSA-N
HMDB46834,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,31,56H,4-7,9-10,12-16,18-19,22-23,25,27-30,32-55H2,1-3H3/b11-8-,20-17-,24-21-,31-26-/t56-/m1/s1",WJMCWERHXVROMD,IHWFMIQKSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/16:1(9Z))",WJMCWERHXVROMD-IHWFMIQKSA-N
HMDB46835,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,33,58H,4-8,10-11,13-17,19,22,24-26,28-32,34-57H2,1-3H3/b12-9-,21-18-,23-20-,33-27-/t58-/m1/s1",NIHHWECWJIEWCW,LPGYKYJVSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/18:1(11Z))",NIHHWECWJIEWCW-LPGYKYJVSA-N
HMDB46836,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,32-33,58H,4-8,10-11,13-17,19-20,22-25,28-31,34-57H2,1-3H3/b12-9-,21-18-,32-26-,33-27-/t58-/m1/s1",WSEOLICCQLXYAB,GFWVYVNBSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/18:1(9Z))",WSEOLICCQLXYAB-GFWVYVNBSA-N
HMDB46837,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-/t60-/m1/s1",JYVPIHBHFXEWIN,ROPUVPJDSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/20:1(11Z))",JYVPIHBHFXEWIN-ROPUVPJDSA-N
HMDB46838,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34-35,37,43,46,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",WZSWCHGXBYZHMA,ZPIGIMDISA,N,"TG(22:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",WZSWCHGXBYZHMA-ZPIGIMDISA-N
HMDB46839,994.892841508,C65H118O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-",UNLJGKZVBFEISI,RCWPQJGMSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/22:1(13Z))",UNLJGKZVBFEISI-RCWPQJGMSA-N
HMDB46840,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-/t64-/m0/s1",XAKZMJNBXSSQEV,SHRINFLXSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/24:1(15Z))",XAKZMJNBXSSQEV-SHRINFLXSA-N
HMDB46841,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,32-33,58H,4-8,10-11,13-16,19,22-25,28-31,34-57H2,1-3H3/b12-9-,20-17-,21-18-,32-26-,33-27-/t58-/m1/s1",DJXRLODHSKDHBV,GSFZDCTFSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",DJXRLODHSKDHBV-GSFZDCTFSA-N
HMDB46842,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,32-33,38,41,58H,4-8,10-11,13-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b12-9-,20-17-,21-18-,32-26-,33-27-,41-38-/t58-/m1/s1",WPIRBQFGMSEFAB,CNTMNHMSSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",WPIRBQFGMSEFAB-CNTMNHMSSA-N
HMDB46843,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,60H,4-8,10-11,13-16,19,22-25,28,30-33,35-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-/t60-/m1/s1",NMHPZWRTPAPYOL,QZHYZABFSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/20:2n6)",NMHPZWRTPAPYOL-QZHYZABFSA-N
HMDB46844,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,37,60H,4-8,10-11,13-16,19,22-25,28,30-33,36,38-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,37-35-/t60-/m1/s1",NPZLRDCOUNCXDT,GWNYCUKNSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/20:3n6)",NPZLRDCOUNCXDT-GWNYCUKNSA-N
HMDB46845,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,37,43,46,60H,4-8,10-11,13-16,19,22-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",ZHIOVQHMKSJKIC,KAQYKJLLSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",ZHIOVQHMKSJKIC-KAQYKJLLSA-N
HMDB46846,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,36,62H,4-8,10-11,13-15,17,20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,36-27-/t62-/m1/s1",ZYAKMYPDMFKEDM,SZSPTCJDSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",ZYAKMYPDMFKEDM-SZSPTCJDSA-N
HMDB46847,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,39,42,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-/t62-/m1/s1",UIKFFBQANWURDB,BFHKWTPJSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",UIKFFBQANWURDB-BFHKWTPJSA-N
HMDB46848,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,39,42,48,51,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",XXHYWFIITXVRBA,DYDLEGNZSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XXHYWFIITXVRBA-DYDLEGNZSA-N
HMDB46849,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,32-33,58H,4-7,10,13-16,19,22-25,28-31,34-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-/t58-/m1/s1",CKNZTELHMKHDLC,MPRSTVINSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",CKNZTELHMKHDLC-MPRSTVINSA-N
HMDB46850,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,32-33,38,41,58H,4-7,10,13-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-,41-38-/t58-/m1/s1",HECFULMRQUUHHQ,ZCAILDNMSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",HECFULMRQUUHHQ-ZCAILDNMSA-N
HMDB46851,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,37,60H,4-7,10,13-16,19,22-25,28,30-33,36,38-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,37-35-/t60-/m1/s1",JQDMOANHFWOTDJ,DEYYENRVSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",JQDMOANHFWOTDJ-DEYYENRVSA-N
HMDB46852,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,37,43,46,60H,4-7,10,13-16,19,22-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",HGSNEKPPSIBDLE,QSSNRTBFSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HGSNEKPPSIBDLE-QSSNRTBFSA-N
HMDB46853,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,39,42,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-/t62-/m1/s1",APNONXQNUPWUCZ,CPQZDZLISA,N,"TG(22:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",APNONXQNUPWUCZ-CPQZDZLISA-N
HMDB46854,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,39,42,48,51,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",NBNOACDQXTUBDM,PYYKSZKZSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NBNOACDQXTUBDM-PYYKSZKZSA-N
HMDB46855,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,33,59H,4-8,10-11,13-17,19-20,22-26,28-32,34-58H2,1-3H3/b12-9-,21-18-,33-27-/t59-/m1/s1",SCMQOOVUTQRBPX,HAPINPQDSA,N,"TG(22:0/18:3(9Z,12Z,15Z)/o-18:0)",SCMQOOVUTQRBPX-HAPINPQDSA-N
HMDB46856,994.892841508,C65H118O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,44,47,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,36-27-,47-44-",CIIMYLRPCCNDJE,NSNBXWALSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:0)",CIIMYLRPCCNDJE-NSNBXWALSA-N
HMDB46857,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,46,49,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-45,47-48,50-63H2,1-3H3/b12-9-,21-18-,38-27-,49-46-/t64-/m0/s1",WDZZMQMLYLQZPT,UUOMTUNZSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/24:0)",WDZZMQMLYLQZPT-UUOMTUNZSA-N
HMDB46858,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,36,39,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-35,37-38,40-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-,39-36-/t54-/m1/s1",IHSDKTOLZNRUIJ,PCXGZXBVSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))",IHSDKTOLZNRUIJ-PCXGZXBVSA-N
HMDB46859,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,31,38,41,56H,4-7,9-10,12-16,18-19,22-23,25,27-30,32-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,24-21-,31-26-,41-38-/t56-/m1/s1",UQKVDUANBUQVOB,YLNSJBIHSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))",UQKVDUANBUQVOB-YLNSJBIHSA-N
HMDB46860,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,33,40,43,58H,4-8,10-11,13-17,19,22,24-26,28-32,34-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,23-20-,33-27-,43-40-/t58-/m1/s1",LDMRRGGIXJVAOY,JQOOUWFJSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))",LDMRRGGIXJVAOY-JQOOUWFJSA-N
HMDB46861,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,32-33,40,43,58H,4-8,10-11,13-17,19-20,22-25,28-31,34-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,32-26-,33-27-,43-40-/t58-/m1/s1",MSMRSZKHODZHMG,RIWSZOMPSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))",MSMRSZKHODZHMG-RIWSZOMPSA-N
HMDB46862,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,42,45,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,45-42-/t60-/m1/s1",LGZWDESXZRQBOV,CMYGUDMISA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))",LGZWDESXZRQBOV-CMYGUDMISA-N
HMDB46863,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34-35,37,42-43,45-46,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1",FOMKVOCMJLEKCY,CGKHKIQUSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",FOMKVOCMJLEKCY-CGKHKIQUSA-N
HMDB46864,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,44,47,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-,47-44-/t62-/m1/s1",USPWSVABFFPLTL,MQRLAQKVSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",USPWSVABFFPLTL-MQRLAQKVSA-N
HMDB46865,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,46,49,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-45,47-48,50-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-,49-46-/t64-/m0/s1",FAUVRRITQIYOOH,WUZVWTLVSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",FAUVRRITQIYOOH-WUZVWTLVSA-N
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HMDB46867,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,32-33,38,40-41,43,58H,4-8,10-11,13-16,19,22-25,28-31,34-37,39,42,44-57H2,1-3H3/b12-9-,20-17-,21-18-,32-26-,33-27-,41-38-,43-40-/t58-/m1/s1",GBXFUMAYCCMGQD,RKXNZMGFSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",GBXFUMAYCCMGQD-RKXNZMGFSA-N
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HMDB46875,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,32-33,38,40-41,43,58H,4-7,10,13-16,19,22-25,28-31,34-37,39,42,44-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-,41-38-,43-40-/t58-/m1/s1",GQDPJLHIVUHPHH,XXYABXPOSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",GQDPJLHIVUHPHH-XXYABXPOSA-N
HMDB46876,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,37,42,45,60H,4-7,10,13-16,19,22-25,28,30-33,36,38-41,43-44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-/t60-/m1/s1",QULNTIICGQLJOS,NXJRNUGVSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",QULNTIICGQLJOS-NXJRNUGVSA-N
HMDB46877,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,37,42-43,45-46,60H,4-7,10,13-16,19,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1",GWECERDTBORDQQ,JMLGMZHJSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",GWECERDTBORDQQ-JMLGMZHJSA-N
HMDB46878,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,39,42,44,47,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-/t62-/m1/s1",IQHAWEKOIACDCD,OXNWSHSUSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IQHAWEKOIACDCD-OXNWSHSUSA-N
HMDB46879,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,39,42,44,47-48,51,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-,51-48-/t62-/m1/s1",NTTOVVOWWURMGH,WBYYETTJSA,N,"TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NTTOVVOWWURMGH-WBYYETTJSA-N
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HMDB46881,1022.924141636,C67H122O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,30-27-,43-40-",HBIDAPJBKYRGTN,MWUVBOTMSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:0)",HBIDAPJBKYRGTN-MWUVBOTMSA-N
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HMDB46883,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,33,35,56H,4-7,9-10,12-14,16,19,21-24,26,28-32,34,36-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-33-/t56-/m1/s1",DMUWXJIUQDPTII,HUACQTDTSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))",DMUWXJIUQDPTII-HUACQTDTSA-N
HMDB46884,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,34,37,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,37-34-/t58-/m1/s1",JVKPRAWKWHUHAR,RTOHMWLVSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))",JVKPRAWKWHUHAR-RTOHMWLVSA-N
HMDB46885,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,36,39,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,39-36-/t60-/m1/s1",XDLVHAQCGLBAQF,VMXIGYHQSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",XDLVHAQCGLBAQF-VMXIGYHQSA-N
HMDB46886,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,39,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37-38,40-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,39-36-/t60-/m1/s1",GEGMUTTVHLZEBG,HEKXAYCTSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",GEGMUTTVHLZEBG-HEKXAYCTSA-N
HMDB46887,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,41,62H,4-8,10-11,13-17,19-20,22-25,28,31-37,39-40,42-61H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-/t62-/m1/s1",KQETWZUBEKZIHF,VTJAKCJJSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",KQETWZUBEKZIHF-VTJAKCJJSA-N
HMDB46888,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,36,38-39,41,45,48,62H,4-8,10-11,13-17,19-20,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m1/s1",AXWPNYPFGCLGPJ,DTLCOADFSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",AXWPNYPFGCLGPJ-DTLCOADFSA-N
HMDB46889,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-/t64-/m1/s1",DOFOGXMQGZXBMX,ULXXEXAQSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))",DOFOGXMQGZXBMX-ULXXEXAQSA-N
HMDB46890,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,42,45,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-41,43-44,46-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,45-42-/t66-/m0/s1",ANVXHNZLUZBTPE,GRLSWRRRSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))",ANVXHNZLUZBTPE-GRLSWRRRSA-N
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HMDB46892,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,39-40,43,60H,4-7,9-10,12-16,19,22-25,28,30-33,35,37-38,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-/t60-/m1/s1",NECFWELWHFYGNX,BURRXNKFSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",NECFWELWHFYGNX-BURRXNKFSA-N
HMDB46893,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,41,62H,4-8,10-11,13-16,19,22-25,28,31-37,39-40,42-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-/t62-/m1/s1",HZAMLLBZMJFJFY,QMQIUHCBSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)",HZAMLLBZMJFJFY-QMQIUHCBSA-N
HMDB46894,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36,38-39,41,62H,4-8,10-11,13-16,19,22-25,28,31-35,37,40,42-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-/t62-/m1/s1",FAUMEZLVOUOAJC,KMMZBXRNSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)",FAUMEZLVOUOAJC-KMMZBXRNSA-N
HMDB46895,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36,38-39,41,45,48,62H,4-8,10-11,13-16,19,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m1/s1",REQWVKJAYRFGRK,WOEFQZSZSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",REQWVKJAYRFGRK-WOEFQZSZSA-N
HMDB46896,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,40,43,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,43-40-/t64-/m1/s1",OSOUITNFGAZGBB,BDDIHJLHSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",OSOUITNFGAZGBB-BDDIHJLHSA-N
HMDB46897,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-/t64-/m1/s1",MAERLCOGMYWROV,PKYBGUOGSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",MAERLCOGMYWROV-PKYBGUOGSA-N
HMDB46898,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,50,53,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,53-50-/t64-/m1/s1",JANGLIXSEIQKBG,CHCWQBTLSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JANGLIXSEIQKBG-CHCWQBTLSA-N
HMDB46899,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,39,60H,4-7,10,13-16,19,22-25,28,30-33,35,37-38,40-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,39-36-/t60-/m1/s1",VLXGOJQFNUXBFQ,BFEMHMJLSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",VLXGOJQFNUXBFQ-BFEMHMJLSA-N
HMDB46900,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,39-40,43,60H,4-7,10,13-16,19,22-25,28,30-33,35,37-38,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-/t60-/m1/s1",CQRHWLBMFHTPSF,VJNFPLBVSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",CQRHWLBMFHTPSF-VJNFPLBVSA-N
HMDB46901,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36,38-39,41,62H,4-7,10,13-16,19,22-25,28,31-35,37,40,42-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-/t62-/m1/s1",DLIWUNKUNIAUPV,SOWJYTFJSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",DLIWUNKUNIAUPV-SOWJYTFJSA-N
HMDB46902,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36,38-39,41,45,48,62H,4-7,10,13-16,19,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m1/s1",HCWRITSQACBASG,QRUOBFIPSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HCWRITSQACBASG-QRUOBFIPSA-N
HMDB46903,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-/t64-/m1/s1",VJTNEAGCAZISJV,RBPBWZDUSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VJTNEAGCAZISJV-RBPBWZDUSA-N
HMDB46904,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,50,53,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,53-50-/t64-/m1/s1",HYJFTWNDTHBIII,OEBZBBRMSA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HYJFTWNDTHBIII-OEBZBBRMSA-N
HMDB46905,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-60H2,1-3H3/b11-8-,20-17-,29-26-,39-36-/t61-/m1/s1",YDNSSVJJLZBKEO,KYKVNZHESA,N,"TG(22:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)",YDNSSVJJLZBKEO-KYKVNZHESA-N
HMDB46906,1020.908491572,C67H120O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,30-27-,43-40-,52-49-",ZSAKPHMOXCWPDX,UFEPPIPDSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)",ZSAKPHMOXCWPDX-UFEPPIPDSA-N
HMDB46907,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,42,45,51,54,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,21-18-,30-27-,45-42-,54-51-/t66-/m0/s1",LGZNNQZIILYDMK,YTNGQLMRSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)",LGZNNQZIILYDMK-YTNGQLMRSA-N
HMDB46908,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,33,35,41,44,56H,4-7,9-10,12-14,16,19,21-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-33-,44-41-/t56-/m1/s1",WYXOGHYUVBJXHY,MMPZXVEESA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))",WYXOGHYUVBJXHY-MMPZXVEESA-N
HMDB46909,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,34,37,43,46,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,37-34-,46-43-/t58-/m1/s1",CBUWMDBOWZQAHI,CYRMIISDSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))",CBUWMDBOWZQAHI-CYRMIISDSA-N
HMDB46910,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,36,39,45,48,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,39-36-,48-45-/t60-/m1/s1",YPOPSJNSJQLQSC,QZUWEFPESA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))",YPOPSJNSJQLQSC-QZUWEFPESA-N
HMDB46911,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",IMWXKSCYQVBGON,HCYKTLOTSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",IMWXKSCYQVBGON-HCYKTLOTSA-N
HMDB46912,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-,50-47-/t62-/m1/s1",QZUPUSTXCDEFED,ODTUKKJQSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",QZUPUSTXCDEFED-ODTUKKJQSA-N
HMDB46913,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-8,10-11,13-17,19-20,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",SDQAZXLOXSYPSC,IDIPDGHSSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",SDQAZXLOXSYPSC-IDIPDGHSSA-N
HMDB46914,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-,52-49-/t64-/m1/s1",VTURCQFKCBTJCF,ASYKWYRPSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",VTURCQFKCBTJCF-ASYKWYRPSA-N
HMDB46915,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,42,45,51,54,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,45-42-,54-51-/t66-/m0/s1",WSRCZFFUJLLVPL,FJIYEBOXSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",WSRCZFFUJLLVPL-FJIYEBOXSA-N
HMDB46916,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,39,45,48,60H,4-7,9-10,12-16,19,22-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",MGOVQYPVPCJLGL,ICXUIISSSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",MGOVQYPVPCJLGL-ICXUIISSSA-N
HMDB46917,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,39-40,43,45,48,60H,4-7,9-10,12-16,19,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",FJSARSYJKVJQHG,BNJMEBETSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",FJSARSYJKVJQHG-BNJMEBETSA-N
HMDB46918,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,41,47,50,62H,4-8,10-11,13-16,19,22-25,28,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,50-47-/t62-/m1/s1",AFSXGFCGOUMSJO,PQLGNLNOSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",AFSXGFCGOUMSJO-PQLGNLNOSA-N
HMDB46919,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36,38-39,41,47,50,62H,4-8,10-11,13-16,19,22-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",QHJQEURXKUHHDR,UMCISPHASA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",QHJQEURXKUHHDR-UMCISPHASA-N
HMDB46920,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-8,10-11,13-16,19,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",QEYTYSCNGNQBAE,WIASTJCTSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",QEYTYSCNGNQBAE-WIASTJCTSA-N
HMDB46921,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,40,43,49,52,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,43-40-,52-49-/t64-/m1/s1",MKFNWIHEJNIPSO,CRIXBGRWSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",MKFNWIHEJNIPSO-CRIXBGRWSA-N
HMDB46922,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",NLMFZFCBYJCMET,NRIBDRNMSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",NLMFZFCBYJCMET-NRIBDRNMSA-N
HMDB46923,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",KBHTUZQORPUVCA,GWODMWOSSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KBHTUZQORPUVCA-GWODMWOSSA-N
HMDB46924,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,39,45,48,60H,4-7,10,13-16,19,22-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",ATYQADYSFQGJBV,UZCHJDFASA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",ATYQADYSFQGJBV-UZCHJDFASA-N
HMDB46925,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,39-40,43,45,48,60H,4-7,10,13-16,19,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",FGBZKVMJCSLMNT,YGYUTAOWSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",FGBZKVMJCSLMNT-YGYUTAOWSA-N
HMDB46926,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36,38-39,41,47,50,62H,4-7,10,13-16,19,22-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",HKUPFOSYPQZPPH,IKEHMOHFSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",HKUPFOSYPQZPPH-IKEHMOHFSA-N
HMDB46927,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-7,10,13-16,19,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",PGBFCYZDXRSPID,LRCAXUCQSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PGBFCYZDXRSPID-LRCAXUCQSA-N
HMDB46928,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",HMLJSDLKXIYTIA,NVMUDNKMSA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HMLJSDLKXIYTIA-NVMUDNKMSA-N
HMDB46929,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",XJZZJLISNVTEHB,HVOPHLLESA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XJZZJLISNVTEHB-HVOPHLLESA-N
HMDB46930,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,45,48,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-/t61-/m1/s1",LNEGIXKHOVJBCA,HPEDWPGISA,N,"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)",LNEGIXKHOVJBCA-HPEDWPGISA-N
HMDB46931,1048.9397917,C69H124O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,45,48,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,21-18-,30-27-,39-36-,48-45-",CUIVXTUIOLIGDX,PBXDZALFSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)",CUIVXTUIOLIGDX-PBXDZALFSA-N
HMDB46932,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,37,41,47,50,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,21-18-,30-27-,41-37-,50-47-/t68-/m0/s1",VQPSUABUGJRFBX,LEOWMHJRSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)",VQPSUABUGJRFBX-LEOWMHJRSA-N
HMDB46933,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,31,33,37,40,58H,4-7,9-10,12-14,16,19,21-24,26,28-30,32,34-36,38-39,41-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,33-31-,40-37-/t58-/m1/s1",CAMIYOBRMAXUIZ,KYMOBJOISA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",CAMIYOBRMAXUIZ-KYMOBJOISA-N
HMDB46934,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,32,34,39,42,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,34-32-,42-39-/t60-/m1/s1",KFTJSRDBWLUZAR,NUYSAEBSSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",KFTJSRDBWLUZAR-NUYSAEBSSA-N
HMDB46935,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,33,35,41,44,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,35-33-,44-41-/t62-/m1/s1",DGTYRNFPUXZTHA,QGYZNLPISA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",DGTYRNFPUXZTHA-QGYZNLPISA-N
HMDB46936,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,33,35-36,41,44,62H,4-7,9-10,12-16,18-19,21-25,28,30-32,34,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,29-26-,35-33-,36-27-,44-41-/t62-/m1/s1",KRIAJPHGKFMCEJ,BRWCRXPASA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",KRIAJPHGKFMCEJ-BRWCRXPASA-N
HMDB46937,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-25,28,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,37-34-,46-43-/t64-/m1/s1",OPUVENGTZHKTGC,IJXCRUGLSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",OPUVENGTZHKTGC-IJXCRUGLSA-N
HMDB46938,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-7,9-10,12-16,18-19,21-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",DGICTUCJXWKONF,PGTIQTAMSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",DGICTUCJXWKONF-PGTIQTAMSA-N
HMDB46939,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,36,39,45,48,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,39-36-,48-45-/t66-/m1/s1",BWDHLBVEXSRRCT,HQOZICLXSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",BWDHLBVEXSRRCT-HQOZICLXSA-N
HMDB46940,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,37,41,47,50,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-37-,50-47-/t68-/m0/s1",ZHCVTKBQWJCMOO,DRQFYIQMSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",ZHCVTKBQWJCMOO-DRQFYIQMSA-N
HMDB46941,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,33,35-36,41,44,62H,4-7,9-10,12-16,19,22-25,28,30-32,34,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-/t62-/m1/s1",ZQFALZRDPJNAHF,XFZJJVGHSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",ZQFALZRDPJNAHF-XFZJJVGHSA-N
HMDB46942,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,33,35-36,41-42,44-45,62H,4-7,9-10,12-16,19,22-25,28,30-32,34,37-40,43,46-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-/t62-/m1/s1",OXLQALZJBSDQGP,ZUKOASJSSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",OXLQALZJBSDQGP-ZUKOASJSSA-N
HMDB46943,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,34,37,43,46,64H,4-7,9-10,12-16,19,22-25,28,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,37-34-,46-43-/t64-/m1/s1",SKKJDVYZBANFPO,GJTQFFPHSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",SKKJDVYZBANFPO-GJTQFFPHSA-N
HMDB46944,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,34,37-38,41,43,46,64H,4-7,9-10,12-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-/t64-/m1/s1",AUTMKGXZAGLGHJ,CPTDESMJSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",AUTMKGXZAGLGHJ-CPTDESMJSA-N
HMDB46945,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-7,9-10,12-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",QMXLYGFEXSAVDO,WZTALMFDSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",QMXLYGFEXSAVDO-WZTALMFDSA-N
HMDB46946,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,36,39,45,48,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,39-36-,48-45-/t66-/m1/s1",LWKAEUZTYYWOFT,NQYJXNHKSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",LWKAEUZTYYWOFT-NQYJXNHKSA-N
HMDB46947,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t66-/m1/s1",IZKZRKDMHQPTTL,DOPDIVKESA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",IZKZRKDMHQPTTL-DOPDIVKESA-N
HMDB46948,1038.86154138,C69H114O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,55,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-",RVUHAFPXOTWAPJ,VQCJPPJDSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RVUHAFPXOTWAPJ-VQCJPPJDSA-N
HMDB46949,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,33,35-36,41,44,62H,4-7,10,13-16,19,22-25,28,30-32,34,37-40,42-43,45-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-/t62-/m1/s1",FFFZXSVRNKAWOU,LOHAIGSDSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",FFFZXSVRNKAWOU-LOHAIGSDSA-N
HMDB46950,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,33,35-36,41-42,44-45,62H,4-7,10,13-16,19,22-25,28,30-32,34,37-40,43,46-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-/t62-/m1/s1",WNEBZSKIALZZHX,ZSQPZTQMSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",WNEBZSKIALZZHX-ZSQPZTQMSA-N
HMDB46951,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,34,37-38,41,43,46,64H,4-7,10,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-/t64-/m1/s1",GLGAVNSYDNWYBP,MVSJYNRWSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",GLGAVNSYDNWYBP-MVSJYNRWSA-N
HMDB46952,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-7,10,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",UEUUWTRKCHCMHL,OEPOGXOQSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",UEUUWTRKCHCMHL-OEPOGXOQSA-N
HMDB46953,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,66H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t66-/m1/s1",CGIDYRDKQLZRCC,JQSHDXLTSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CGIDYRDKQLZRCC-JQSHDXLTSA-N
HMDB46954,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,55,66H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-/t66-/m1/s1",YVYZRCFMYOADRV,IPVVTFEXSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YVYZRCFMYOADRV-IPVVTFEXSA-N
HMDB46955,978.8979269,C65H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,41,44,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-62H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,44-41-/t63-/m1/s1",ITHUBGZTIJLQOH,CQOBMWGUSA,N,"TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",ITHUBGZTIJLQOH-CQOBMWGUSA-N
HMDB46956,1046.924141636,C69H122O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,45,48,54,57,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,21-18-,30-27-,39-36-,48-45-,57-54-",ZXZHJGAHVNWITN,OQDIJMFHSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)",ZXZHJGAHVNWITN-OQDIJMFHSA-N
HMDB46957,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,37,41,47,50,56,59,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,21-18-,30-27-,41-37-,50-47-,59-56-/t68-/m0/s1",OPAPMALYCWPLHN,DPLRVGRFSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)",OPAPMALYCWPLHN-DPLRVGRFSA-N
HMDB46958,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,31,33,37,40,46,49,58H,4-7,9-10,12-14,16,19,21-24,26,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,33-31-,40-37-,49-46-/t58-/m1/s1",YVEGKSUYTKOVJJ,DHXAZOOGSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",YVEGKSUYTKOVJJ-DHXAZOOGSA-N
HMDB46959,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,32,34,39,42,48,51,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,34-32-,42-39-,51-48-/t60-/m1/s1",WMDYLLRRIFWSDG,YUUVWDCISA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",WMDYLLRRIFWSDG-YUUVWDCISA-N
HMDB46960,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,33,35,41,44,50,53,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,35-33-,44-41-,53-50-/t62-/m1/s1",BDLDWGYOKGNDNJ,PPIYLCSNSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",BDLDWGYOKGNDNJ-PPIYLCSNSA-N
HMDB46961,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,33,35-36,41,44,50,53,62H,4-7,9-10,12-16,18-19,21-25,28,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m1/s1",YRQYMBKZXRLOKE,DUINAQMNSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",YRQYMBKZXRLOKE-DUINAQMNSA-N
HMDB46962,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-25,28,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,37-34-,46-43-,55-52-/t64-/m1/s1",HOHWQWWDUBNDHS,SGEPPDJISA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",HOHWQWWDUBNDHS-SGEPPDJISA-N
HMDB46963,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,9-10,12-16,18-19,21-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",HETOFZZBPNGKIE,XVIFHYLQSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",HETOFZZBPNGKIE-XVIFHYLQSA-N
HMDB46964,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,36,39,45,48,54,57,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,39-36-,48-45-,57-54-/t66-/m1/s1",SSNDFMVKNXNRNH,REXIBAPBSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",SSNDFMVKNXNRNH-REXIBAPBSA-N
HMDB46965,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,37,41,47,50,56,59,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-37-,50-47-,59-56-/t68-/m0/s1",GKJIYSDPPWFAKC,GMKPQOLMSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",GKJIYSDPPWFAKC-GMKPQOLMSA-N
HMDB46966,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,33,35-36,41,44,50,53,62H,4-7,9-10,12-16,19,22-25,28,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m1/s1",WLYZHXMXCTYFTH,WWBQDPBOSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",WLYZHXMXCTYFTH-WWBQDPBOSA-N
HMDB46967,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,33,35-36,41-42,44-45,50,53,62H,4-7,9-10,12-16,19,22-25,28,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-/t62-/m1/s1",VAVGCHZUPJFXDH,QHWZNHJZSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",VAVGCHZUPJFXDH-QHWZNHJZSA-N
HMDB46968,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,34,37,43,46,52,55,64H,4-7,9-10,12-16,19,22-25,28,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,37-34-,46-43-,55-52-/t64-/m1/s1",VYBTWXUPZBXGPQ,QRGNFAOHSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",VYBTWXUPZBXGPQ-QRGNFAOHSA-N
HMDB46969,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,34,37-38,41,43,46,52,55,64H,4-7,9-10,12-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-/t64-/m1/s1",IELBMNCKISOHJB,RKHPEVRJSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",IELBMNCKISOHJB-RKHPEVRJSA-N
HMDB46970,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,9-10,12-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",AOGWCHGJGOICFC,SFHMTKGVSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",AOGWCHGJGOICFC-SFHMTKGVSA-N
HMDB46971,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,36,39,45,48,54,57,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,39-36-,48-45-,57-54-/t66-/m1/s1",WSNLSBUPDCSTJE,XLWKIEPTSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",WSNLSBUPDCSTJE-XLWKIEPTSA-N
HMDB46972,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,54,57,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-/t66-/m1/s1",RFZSKDIPIVOYLV,CJWROUSHSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",RFZSKDIPIVOYLV-CJWROUSHSA-N
HMDB46973,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1",NFOFBZFSPRHOBF,SOCUIRPGSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",NFOFBZFSPRHOBF-SOCUIRPGSA-N
HMDB46974,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,33,35-36,41,44,50,53,62H,4-7,10,13-16,19,22-25,28,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m1/s1",HMYUPJOLXXPBPK,SJJZRRGWSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",HMYUPJOLXXPBPK-SJJZRRGWSA-N
HMDB46975,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,33,35-36,41-42,44-45,50,53,62H,4-7,10,13-16,19,22-25,28,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-/t62-/m1/s1",IMCDIVDCFJUGTF,ZINLLFAVSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",IMCDIVDCFJUGTF-ZINLLFAVSA-N
HMDB46976,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,34,37-38,41,43,46,52,55,64H,4-7,10,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-/t64-/m1/s1",RLXSWMAQHDHORB,AFOAKECOSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",RLXSWMAQHDHORB-AFOAKECOSA-N
HMDB46977,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,10,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",XIBKSRZUOQFMIN,KJFPYZDBSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XIBKSRZUOQFMIN-KJFPYZDBSA-N
HMDB46978,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-/t66-/m1/s1",ZKERYDRMJZAFBX,NGEMFPQTSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZKERYDRMJZAFBX-NGEMFPQTSA-N
HMDB46979,1034.830241262,C69H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1",DIGZZZAVYYZPCI,LSMSWXHXSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DIGZZZAVYYZPCI-LSMSWXHXSA-N
HMDB46980,976.882276835,C65H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,41,44,50,53,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,44-41-,53-50-/t63-/m1/s1",DGKUUFMDGHTGKM,GXOSNIPGSA,N,"TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",DGKUUFMDGHTGKM-GXOSNIPGSA-N
HMDB46981,988.976177206,C65H128O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3",VMFBRVXYQILAQX,UHFFFAOYSA,N,TG(22:0/o-18:0/22:0),VMFBRVXYQILAQX-UHFFFAOYSA-N
HMDB46982,1017.00747735,C67H132O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h65H,4-64H2,1-3H3/t65-/m0/s1",QCYBKTNDQRERSG,FZWUFXCXSA,N,TG(22:0/o-18:0/24:0),QCYBKTNDQRERSG-FZWUFXCXSA-N
HMDB46983,874.835326642,C57H110O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,55H,4-14,16-17,19-54H2,1-3H3/b18-15-/t55-/m1/s1",JEERBMFDIWSRBT,IIYWXNMISA,N,TG(22:0/o-18:0/14:1(9Z)),JEERBMFDIWSRBT-IIYWXNMISA-N
HMDB46984,902.866626771,C59H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-/t57-/m1/s1",CAPXDNNJSKSNHK,COAUFNLESA,N,TG(22:0/o-18:0/16:1(9Z)),CAPXDNNJSKSNHK-COAUFNLESA-N
HMDB46985,930.8979269,C61H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h21,24,59H,4-20,22-23,25-58H2,1-3H3/b24-21-/t59-/m1/s1",RFUDZLVDQBPYNE,VQUDVRKKSA,N,TG(22:0/o-18:0/18:1(11Z)),RFUDZLVDQBPYNE-VQUDVRKKSA-N
HMDB46986,930.8979269,C61H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h27,33,59H,4-26,28-32,34-58H2,1-3H3/b33-27-/t59-/m1/s1",SHOPXLXHCPWVBN,XEYQYPFISA,N,TG(22:0/o-18:0/18:1(9Z)),SHOPXLXHCPWVBN-XEYQYPFISA-N
HMDB46987,958.929227028,C63H122O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h26,29,61H,4-25,27-28,30-60H2,1-3H3/b29-26-/t61-/m1/s1",CAOCEUZJFODCFY,SFTFLQKMSA,N,TG(22:0/o-18:0/20:1(11Z)),CAOCEUZJFODCFY-SFTFLQKMSA-N
HMDB46988,954.8979269,C63H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h26,29,35,38,44,47,61H,4-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b29-26-,38-35-,47-44-/t61-/m1/s1",FCFBMPGFGZPIBY,SZPOQHLJSA,N,"TG(22:0/o-18:0/20:3(5Z,8Z,11Z))",FCFBMPGFGZPIBY-SZPOQHLJSA-N
HMDB46989,986.960527157,C65H126O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-/t63-/m1/s1",AJNYOLDTPHOJQD,QJXSGVRKSA,N,TG(22:0/o-18:0/22:1(13Z)),AJNYOLDTPHOJQD-QJXSGVRKSA-N
HMDB46990,1014.991827286,C67H130O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,65H,4-24,26-27,29-64H2,1-3H3/b28-25-/t65-/m0/s1",PNSMCBUEGPHKET,ILLNWWCRSA,N,TG(22:0/o-18:0/24:1(15Z)),PNSMCBUEGPHKET-ILLNWWCRSA-N
HMDB46991,928.882276835,C61H116O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,27,33,59H,4-17,19-20,22-26,28-32,34-58H2,1-3H3/b21-18-,33-27-/t59-/m1/s1",JAOICCCVVONLHB,FMZYJFPSSA,N,"TG(22:0/o-18:0/18:2(9Z,12Z))",JAOICCCVVONLHB-FMZYJFPSSA-N
HMDB46992,926.866626771,C61H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,27,33,39,42,59H,4-17,19-20,22-26,28-32,34-38,40-41,43-58H2,1-3H3/b21-18-,33-27-,42-39-/t59-/m1/s1",DGOPRVUMKXMBBN,GCPRVGKFSA,N,"TG(22:0/o-18:0/18:3(6Z,9Z,12Z))",DGOPRVUMKXMBBN-GCPRVGKFSA-N
HMDB46993,956.913576964,C63H120O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,61H,4-16,18-19,21-25,27-28,30-60H2,1-3H3/b20-17-,29-26-/t61-/m1/s1",SXKDYXAVNJJKQE,YAGAPKITSA,N,TG(22:0/o-18:0/20:2n6),SXKDYXAVNJJKQE-YAGAPKITSA-N
HMDB46994,954.8979269,C63H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,61H,4-16,18-19,21-25,27-28,30-34,36-37,39-60H2,1-3H3/b20-17-,29-26-,38-35-/t61-/m1/s1",NROZTINCWPRCMV,LWEOUFGKSA,N,TG(22:0/o-18:0/20:3n6),NROZTINCWPRCMV-LWEOUFGKSA-N
HMDB46995,952.882276835,C63H116O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,44,47,61H,4-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b20-17-,29-26-,38-35-,47-44-/t61-/m1/s1",WKEWFXQSALSQCQ,MSTNBBFJSA,N,"TG(22:0/o-18:0/20:4(5Z,8Z,11Z,14Z))",WKEWFXQSALSQCQ-MSTNBBFJSA-N
HMDB46996,984.944877093,C65H124O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,63H,4-15,17-18,20-24,26-27,29-62H2,1-3H3/b19-16-,28-25-/t63-/m1/s1",NUNUXICJCDNMHX,CXLVNTCKSA,N,"TG(22:0/o-18:0/22:2(13Z,16Z))",NUNUXICJCDNMHX-CXLVNTCKSA-N
HMDB46997,980.913576964,C65H120O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,40,43,63H,4-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,28-25-,35-33-,43-40-/t63-/m1/s1",RKYZOGTUANAJOD,RVLYETLBSA,N,"TG(22:0/o-18:0/22:4(7Z,10Z,13Z,16Z))",RKYZOGTUANAJOD-RVLYETLBSA-N
HMDB46998,978.8979269,C65H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,40,43,49,52,63H,4-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,28-25-,35-33-,43-40-,52-49-/t63-/m1/s1",HXZAVFCTVQLAIW,WGTCUCJGSA,N,"TG(22:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",HXZAVFCTVQLAIW-WGTCUCJGSA-N
HMDB46999,926.866626771,C61H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,33,59H,4-8,10-11,13-17,19-20,22-26,28-32,34-58H2,1-3H3/b12-9-,21-18-,33-27-/t59-/m1/s1",KREDKADJJBSZQK,HAPINPQDSA,N,"TG(22:0/o-18:0/18:3(9Z,12Z,15Z))",KREDKADJJBSZQK-HAPINPQDSA-N
HMDB47000,924.850976706,C61H112O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,33,39,42,59H,4-8,10-11,13-17,19-20,22-26,28-32,34-38,40-41,43-58H2,1-3H3/b12-9-,21-18-,33-27-,42-39-/t59-/m1/s1",KSLLVJBDFZEPTB,ZGKFSGSJSA,N,"TG(22:0/o-18:0/18:4(6Z,9Z,12Z,15Z))",KSLLVJBDFZEPTB-ZGKFSGSJSA-N
HMDB47001,952.882276835,C63H116O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-60H2,1-3H3/b11-8-,20-17-,29-26-,38-35-/t61-/m1/s1",ZWRVHEJEANYSRU,UPHNUPBLSA,N,"TG(22:0/o-18:0/20:4(8Z,11Z,14Z,17Z))",ZWRVHEJEANYSRU-UPHNUPBLSA-N
HMDB47002,950.866626771,C63H114O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,44,47,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,47-44-/t61-/m1/s1",HAAANVHPHRLRPS,QVUOHJAASA,N,"TG(22:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",HAAANVHPHRLRPS-QVUOHJAASA-N
HMDB47003,978.8979269,C65H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,40,43,63H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,43-40-/t63-/m1/s1",LLVBWKMCQPGWAP,FXSOBSDHSA,N,"TG(22:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",LLVBWKMCQPGWAP-FXSOBSDHSA-N
HMDB47004,976.882276835,C65H116O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,40,43,49,52,63H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,43-40-,52-49-/t63-/m1/s1",YLIBMGQGNXXESN,LJERHDGMSA,N,"TG(22:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YLIBMGQGNXXESN-LJERHDGMSA-N
HMDB47005,1002.955441764,C65H126O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3",PQCIUSMTMQGOQD,UHFFFAOYSA,N,TG(24:0/14:0/24:0),PQCIUSMTMQGOQD-UHFFFAOYSA-N
HMDB47006,860.783291069,C55H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h14,17,52H,4-13,15-16,18-51H2,1-3H3/b17-14-/t52-/m1/s1",RFALNTRFINJZAK,GZNJYCTJSA,N,TG(24:0/14:0/14:1(9Z)),RFALNTRFINJZAK-GZNJYCTJSA-N
HMDB47007,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-/t54-/m1/s1",UVYBPHXSHXEHQX,WTNBXCFCSA,N,TG(24:0/14:0/16:1(9Z)),UVYBPHXSHXEHQX-WTNBXCFCSA-N
HMDB47008,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-/t56-/m1/s1",OOHIULWPYUEZRR,BUKBLQRKSA,N,TG(24:0/14:0/18:1(11Z)),OOHIULWPYUEZRR-BUKBLQRKSA-N
HMDB47009,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h25,32,56H,4-24,26-31,33-55H2,1-3H3/b32-25-/t56-/m1/s1",JAMTWOKYIOCODD,QKNLQKMTSA,N,TG(24:0/14:0/18:1(9Z)),JAMTWOKYIOCODD-QKNLQKMTSA-N
HMDB47010,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m1/s1",QVZMWHBUVGPYRA,WUVGZWILSA,N,TG(24:0/14:0/20:1(11Z)),QVZMWHBUVGPYRA-WUVGZWILSA-N
HMDB47011,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h25,27,34,36,41,44,58H,4-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b27-25-,36-34-,44-41-/t58-/m1/s1",MBEHVCHNDQZWCB,YODUNMEZSA,N,"TG(24:0/14:0/20:3(5Z,8Z,11Z))",MBEHVCHNDQZWCB-YODUNMEZSA-N
HMDB47012,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-/t60-/m1/s1",PPUWOQZPYWAPRO,NQFAIHCZSA,N,TG(24:0/14:0/22:1(13Z)),PPUWOQZPYWAPRO-NQFAIHCZSA-N
HMDB47013,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,62H,4-23,25,27-61H2,1-3H3/b26-24-/t62-/m1/s1",UXPMXVLIYLFMKZ,NSBRQJICSA,N,TG(24:0/14:0/24:1(15Z)),UXPMXVLIYLFMKZ-NSBRQJICSA-N
HMDB47014,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,25,32,56H,4-16,18-19,21-24,26-31,33-55H2,1-3H3/b20-17-,32-25-/t56-/m1/s1",IPMCDSYSCPXHTB,YGKYETHISA,N,"TG(24:0/14:0/18:2(9Z,12Z))",IPMCDSYSCPXHTB-YGKYETHISA-N
HMDB47015,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,25,32,37,39,56H,4-16,18-19,21-24,26-31,33-36,38,40-55H2,1-3H3/b20-17-,32-25-,39-37-/t56-/m1/s1",ZNLJOPQHCWRIPV,FUZDLPJWSA,N,"TG(24:0/14:0/18:3(6Z,9Z,12Z))",ZNLJOPQHCWRIPV-FUZDLPJWSA-N
HMDB47016,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,58H,4-16,18-19,21-24,26,28-57H2,1-3H3/b20-17-,27-25-/t58-/m1/s1",AGHHOFLCBXWHOS,FURYJAGQSA,N,TG(24:0/14:0/20:2n6),AGHHOFLCBXWHOS-FURYJAGQSA-N
HMDB47017,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,34,36,58H,4-16,18-19,21-24,26,28-33,35,37-57H2,1-3H3/b20-17-,27-25-,36-34-/t58-/m1/s1",CCYKAYZERNIDEA,FQXMZLCQSA,N,TG(24:0/14:0/20:3n6),CCYKAYZERNIDEA-FQXMZLCQSA-N
HMDB47018,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,34,36,41,44,58H,4-16,18-19,21-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b20-17-,27-25-,36-34-,44-41-/t58-/m1/s1",KGCOMYRIEUMHBE,QIMKBFHLSA,N,"TG(24:0/14:0/20:4(5Z,8Z,11Z,14Z))",KGCOMYRIEUMHBE-QIMKBFHLSA-N
HMDB47019,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,60H,4-16,18-19,21-24,26,28-59H2,1-3H3/b20-17-,27-25-/t60-/m1/s1",VYZRRPSXSDYNCO,OGZGDILSSA,N,"TG(24:0/14:0/22:2(13Z,16Z))",VYZRRPSXSDYNCO-OGZGDILSSA-N
HMDB47020,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,38,41,60H,4-16,18-19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b20-17-,27-25-,34-32-,41-38-/t60-/m1/s1",SWJAOFQRGQDADV,DDESYYAESA,N,"TG(24:0/14:0/22:4(7Z,10Z,13Z,16Z))",SWJAOFQRGQDADV-DDESYYAESA-N
HMDB47021,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,38,41,46,49,60H,4-16,18-19,21-24,26,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b20-17-,27-25-,34-32-,41-38-,49-46-/t60-/m1/s1",ISJUEJIQJNPESE,IQVOXYQMSA,N,"TG(24:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",ISJUEJIQJNPESE-IQVOXYQMSA-N
HMDB47022,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-55H2,1-3H3/b11-8-,20-17-,32-25-/t56-/m1/s1",KTCOJWAHPDTICX,KKVIBJNCSA,N,"TG(24:0/14:0/18:3(9Z,12Z,15Z))",KTCOJWAHPDTICX-KKVIBJNCSA-N
HMDB47023,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,37,39,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-36,38,40-55H2,1-3H3/b11-8-,20-17-,32-25-,39-37-/t56-/m1/s1",XXNUGLPLBJEJCT,DFDHWJQHSA,N,"TG(24:0/14:0/18:4(6Z,9Z,12Z,15Z))",XXNUGLPLBJEJCT-DFDHWJQHSA-N
HMDB47024,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,34,36,58H,4-7,9-10,12-16,18-19,21-24,26,28-33,35,37-57H2,1-3H3/b11-8-,20-17-,27-25-,36-34-/t58-/m1/s1",VGJLRVHUGWORNM,UXNDQROASA,N,"TG(24:0/14:0/20:4(8Z,11Z,14Z,17Z))",VGJLRVHUGWORNM-UXNDQROASA-N
HMDB47025,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,34,36,41,44,58H,4-7,9-10,12-16,18-19,21-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,27-25-,36-34-,44-41-/t58-/m1/s1",WFHUKPFLBNVEFI,CGELVTKHSA,N,"TG(24:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",WFHUKPFLBNVEFI-CGELVTKHSA-N
HMDB47026,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,38,41,60H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,20-17-,27-25-,34-32-,41-38-/t60-/m1/s1",LTKCBUMGVCUVPG,XQCODHMDSA,N,"TG(24:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",LTKCBUMGVCUVPG-XQCODHMDSA-N
HMDB47027,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,38,41,46,49,60H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b11-8-,20-17-,27-25-,34-32-,41-38-,49-46-/t60-/m1/s1",AOEMOZQBRAJCGN,DZPQYBBBSA,N,"TG(24:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AOEMOZQBRAJCGN-DZPQYBBBSA-N
HMDB47028,904.882276835,C59H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m1/s1",OCTLMHQBEGFUPQ,ODEQYEIHSA,N,TG(24:0/14:0/o-18:0),OCTLMHQBEGFUPQ-ODEQYEIHSA-N
HMDB47029,1016.971091828,C66H128O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-43-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3",KAOQELVEPRLSCX,UHFFFAOYSA,N,TG(24:0/15:0/24:0),KAOQELVEPRLSCX-UHFFFAOYSA-N
HMDB47030,874.798941133,C56H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-34-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-/t53-/m1/s1",RMIZGUDCUNFIML,CYEBCEKSSA,N,TG(24:0/15:0/14:1(9Z)),RMIZGUDCUNFIML-CYEBCEKSSA-N
HMDB47031,902.830241262,C58H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-/t55-/m1/s1",HMVASJSCZPHWJD,ORXJQOAGSA,N,TG(24:0/15:0/16:1(9Z)),HMVASJSCZPHWJD-ORXJQOAGSA-N
HMDB47032,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h20,23,57H,4-19,21-22,24-56H2,1-3H3/b23-20-/t57-/m1/s1",LLGXFXGKJFNHMZ,WZCXKACVSA,N,TG(24:0/15:0/18:1(11Z)),LLGXFXGKJFNHMZ-WZCXKACVSA-N
HMDB47033,930.861541391,C60H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h26,33,57H,4-25,27-32,34-56H2,1-3H3/b33-26-/t57-/m1/s1",PNESRYBNMDWXBD,XRTSEEHTSA,N,TG(24:0/15:0/18:1(9Z)),PNESRYBNMDWXBD-XRTSEEHTSA-N
HMDB47034,958.89284152,C62H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,59H,4-25,27,29-58H2,1-3H3/b28-26-/t59-/m1/s1",JZWULMQQPRFLDQ,ZURFYFHYSA,N,TG(24:0/15:0/20:1(11Z)),JZWULMQQPRFLDQ-ZURFYFHYSA-N
HMDB47035,954.861541391,C62H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,35,37,42,45,59H,4-25,27,29-34,36,38-41,43-44,46-58H2,1-3H3/b28-26-,37-35-,45-42-/t59-/m1/s1",MVSDAVRSCZCAHS,XAXGRUGVSA,N,"TG(24:0/15:0/20:3(5Z,8Z,11Z))",MVSDAVRSCZCAHS-XAXGRUGVSA-N
HMDB47036,986.924141648,C64H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,61H,4-25,27,29-60H2,1-3H3/b28-26-/t61-/m1/s1",GWPHHSZAHHUOHB,KKLCZKKPSA,N,TG(24:0/15:0/22:1(13Z)),GWPHHSZAHHUOHB-KKLCZKKPSA-N
HMDB47037,1014.955441777,C66H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C66H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-43-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,63H,4-24,26,28-62H2,1-3H3/b27-25-/t63-/m1/s1",LTHGJNCVDIBBRV,RFXKZPKVSA,N,TG(24:0/15:0/24:1(15Z)),LTHGJNCVDIBBRV-RFXKZPKVSA-N
HMDB47038,928.845891326,C60H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,57H,4-16,18-19,21-25,27-32,34-56H2,1-3H3/b20-17-,33-26-/t57-/m1/s1",LDPBQRWCJACJSJ,ZCGDJMIFSA,N,"TG(24:0/15:0/18:2(9Z,12Z))",LDPBQRWCJACJSJ-ZCGDJMIFSA-N
HMDB47039,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,38,40,57H,4-16,18-19,21-25,27-32,34-37,39,41-56H2,1-3H3/b20-17-,33-26-,40-38-/t57-/m1/s1",AFRHTXSGJZBJEK,FKZFEJELSA,N,"TG(24:0/15:0/18:3(6Z,9Z,12Z))",AFRHTXSGJZBJEK-FKZFEJELSA-N
HMDB47040,956.877191455,C62H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,59H,4-16,18-19,21-25,27,29-58H2,1-3H3/b20-17-,28-26-/t59-/m1/s1",ZDQUUVVVSLETOX,AZXCAEBZSA,N,TG(24:0/15:0/20:2n6),ZDQUUVVVSLETOX-AZXCAEBZSA-N
HMDB47041,954.861541391,C62H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,37,59H,4-16,18-19,21-25,27,29-34,36,38-58H2,1-3H3/b20-17-,28-26-,37-35-/t59-/m1/s1",GFWCWSZOZVIVJH,OHNHXQOXSA,N,TG(24:0/15:0/20:3n6),GFWCWSZOZVIVJH-OHNHXQOXSA-N
HMDB47042,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,37,42,45,59H,4-16,18-19,21-25,27,29-34,36,38-41,43-44,46-58H2,1-3H3/b20-17-,28-26-,37-35-,45-42-/t59-/m1/s1",HVTDRKMNLXBRAC,FWRHJWPXSA,N,"TG(24:0/15:0/20:4(5Z,8Z,11Z,14Z))",HVTDRKMNLXBRAC-FWRHJWPXSA-N
HMDB47043,984.908491584,C64H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,61H,4-16,18-19,21-25,27,29-60H2,1-3H3/b20-17-,28-26-/t61-/m1/s1",FHUPRBKTMGYJLL,XUTVTEJTSA,N,"TG(24:0/15:0/22:2(13Z,16Z))",FHUPRBKTMGYJLL-XUTVTEJTSA-N
HMDB47044,980.877191455,C64H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,39,42,61H,4-16,18-19,21-25,27,29-32,34,36-38,40-41,43-60H2,1-3H3/b20-17-,28-26-,35-33-,42-39-/t61-/m1/s1",RNAPJUBUHGPRDF,UWTHLKTASA,N,"TG(24:0/15:0/22:4(7Z,10Z,13Z,16Z))",RNAPJUBUHGPRDF-UWTHLKTASA-N
HMDB47045,978.861541391,C64H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,39,42,47,50,61H,4-16,18-19,21-25,27,29-32,34,36-38,40-41,43-46,48-49,51-60H2,1-3H3/b20-17-,28-26-,35-33-,42-39-,50-47-/t61-/m1/s1",ZOBMLXCBCWMSBG,SJJYDRGGSA,N,"TG(24:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZOBMLXCBCWMSBG-SJJYDRGGSA-N
HMDB47046,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-56H2,1-3H3/b11-8-,20-17-,33-26-/t57-/m1/s1",ZLHFCDYCFQPFAG,QVXLBHFGSA,N,"TG(24:0/15:0/18:3(9Z,12Z,15Z))",ZLHFCDYCFQPFAG-QVXLBHFGSA-N
HMDB47047,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,38,40,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-37,39,41-56H2,1-3H3/b11-8-,20-17-,33-26-,40-38-/t57-/m1/s1",VPFZFWBQBROUGP,IWOSBTQLSA,N,"TG(24:0/15:0/18:4(6Z,9Z,12Z,15Z))",VPFZFWBQBROUGP-IWOSBTQLSA-N
HMDB47048,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,37,59H,4-7,9-10,12-16,18-19,21-25,27,29-34,36,38-58H2,1-3H3/b11-8-,20-17-,28-26-,37-35-/t59-/m1/s1",XEWSVKFVQCBBHY,SXVRJDEZSA,N,"TG(24:0/15:0/20:4(8Z,11Z,14Z,17Z))",XEWSVKFVQCBBHY-SXVRJDEZSA-N
HMDB47049,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,37,42,45,59H,4-7,9-10,12-16,18-19,21-25,27,29-34,36,38-41,43-44,46-58H2,1-3H3/b11-8-,20-17-,28-26-,37-35-,45-42-/t59-/m1/s1",UBELUORSMFAQIW,GPVUGRQESA,N,"TG(24:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",UBELUORSMFAQIW-GPVUGRQESA-N
HMDB47050,978.861541391,C64H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,39,42,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-38,40-41,43-60H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-39-/t61-/m1/s1",MSJCMJOVBKOCTH,IIIROXRVSA,N,"TG(24:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",MSJCMJOVBKOCTH-IIIROXRVSA-N
HMDB47051,976.845891326,C64H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,39,42,47,50,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-38,40-41,43-46,48-49,51-60H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-39-,50-47-/t61-/m1/s1",MEWTXLVTQCEINL,JFXGRXQNSA,N,"TG(24:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MEWTXLVTQCEINL-JFXGRXQNSA-N
HMDB47052,918.8979269,C60H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-41-44-47-50-53-59(61)64-57-58(65-60(62)54-51-48-45-42-38-24-21-18-15-12-9-6-3)56-63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m1/s1",VIRQOISQFYMDLY,QPUWJJAWSA,N,TG(24:0/15:0/o-18:0),VIRQOISQFYMDLY-QPUWJJAWSA-N
HMDB47053,1030.986741892,C67H130O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3",APYLBZRCNBIGDW,UHFFFAOYSA,N,TG(24:0/16:0/24:0),APYLBZRCNBIGDW-UHFFFAOYSA-N
HMDB47054,888.814591198,C57H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-/t54-/m1/s1",QOPDMHCKZZFVHH,IXHOOSMISA,N,TG(24:0/16:0/14:1(9Z)),QOPDMHCKZZFVHH-IXHOOSMISA-N
HMDB47055,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-/t56-/m1/s1",IZQSAPJJVMUNHL,BUKBLQRKSA,N,TG(24:0/16:0/16:1(9Z)),IZQSAPJJVMUNHL-BUKBLQRKSA-N
HMDB47056,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h20,23,58H,4-19,21-22,24-57H2,1-3H3/b23-20-/t58-/m1/s1",RRJBAGZGLIDJST,ZZMNQIIQSA,N,TG(24:0/16:0/18:1(11Z)),RRJBAGZGLIDJST-ZZMNQIIQSA-N
HMDB47057,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h26,33,58H,4-25,27-32,34-57H2,1-3H3/b33-26-/t58-/m1/s1",UCWAEKWUFQHUCA,LOQDQZMDSA,N,TG(24:0/16:0/18:1(9Z)),UCWAEKWUFQHUCA-LOQDQZMDSA-N
HMDB47058,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,60H,4-25,27,29-59H2,1-3H3/b28-26-/t60-/m1/s1",WOZPSEZFVJBYJL,FLTKJYRDSA,N,TG(24:0/16:0/20:1(11Z)),WOZPSEZFVJBYJL-FLTKJYRDSA-N
HMDB47059,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,35,38,43,46,60H,4-25,27,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b28-26-,38-35-,46-43-/t60-/m1/s1",VPGFYQNSTYPTAI,KXCYRNGVSA,N,"TG(24:0/16:0/20:3(5Z,8Z,11Z))",VPGFYQNSTYPTAI-KXCYRNGVSA-N
HMDB47060,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,62H,4-25,27,29-61H2,1-3H3/b28-26-/t62-/m1/s1",OYWVRSCDVLEMQQ,KTIFLMKISA,N,TG(24:0/16:0/22:1(13Z)),OYWVRSCDVLEMQQ-KTIFLMKISA-N
HMDB47061,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,64H,4-24,26,28-63H2,1-3H3/b27-25-/t64-/m1/s1",WDFVTCFADLGAKM,AABDSECWSA,N,TG(24:0/16:0/24:1(15Z)),WDFVTCFADLGAKM-AABDSECWSA-N
HMDB47062,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,58H,4-16,18-19,21-25,27-32,34-57H2,1-3H3/b20-17-,33-26-/t58-/m1/s1",NSRSRNOQDGUIQQ,AWYLIJQVSA,N,"TG(24:0/16:0/18:2(9Z,12Z))",NSRSRNOQDGUIQQ-AWYLIJQVSA-N
HMDB47063,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,38,41,58H,4-16,18-19,21-25,27-32,34-37,39-40,42-57H2,1-3H3/b20-17-,33-26-,41-38-/t58-/m1/s1",CSNMMADQHKSQLN,AMLZRHAWSA,N,"TG(24:0/16:0/18:3(6Z,9Z,12Z))",CSNMMADQHKSQLN-AMLZRHAWSA-N
HMDB47064,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,60H,4-16,18-19,21-25,27,29-59H2,1-3H3/b20-17-,28-26-/t60-/m1/s1",QMUANRQBCWCFMK,PWULZGLXSA,N,TG(24:0/16:0/20:2n6),QMUANRQBCWCFMK-PWULZGLXSA-N
HMDB47065,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,38,60H,4-16,18-19,21-25,27,29-34,36-37,39-59H2,1-3H3/b20-17-,28-26-,38-35-/t60-/m1/s1",ABFACKHFNWRLBN,UJOSCSIKSA,N,TG(24:0/16:0/20:3n6),ABFACKHFNWRLBN-UJOSCSIKSA-N
HMDB47066,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,38,43,46,60H,4-16,18-19,21-25,27,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b20-17-,28-26-,38-35-,46-43-/t60-/m1/s1",MASGOWIBHUPTSI,SFVLEJGZSA,N,"TG(24:0/16:0/20:4(5Z,8Z,11Z,14Z))",MASGOWIBHUPTSI-SFVLEJGZSA-N
HMDB47067,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,62H,4-16,18-19,21-25,27,29-61H2,1-3H3/b20-17-,28-26-/t62-/m1/s1",FCBJHSZLJNHOHI,UFFSKKAVSA,N,"TG(24:0/16:0/22:2(13Z,16Z))",FCBJHSZLJNHOHI-UFFSKKAVSA-N
HMDB47068,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,40,42,62H,4-16,18-19,21-25,27,29-32,34,36-39,41,43-61H2,1-3H3/b20-17-,28-26-,35-33-,42-40-/t62-/m1/s1",UKVCZNVZEFNVBG,SJMYIXKMSA,N,"TG(24:0/16:0/22:4(7Z,10Z,13Z,16Z))",UKVCZNVZEFNVBG-SJMYIXKMSA-N
HMDB47069,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,40,42,48,51,62H,4-16,18-19,21-25,27,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b20-17-,28-26-,35-33-,42-40-,51-48-/t62-/m1/s1",FAQKUTWGHWIHNO,GMZDOETCSA,N,"TG(24:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",FAQKUTWGHWIHNO-GMZDOETCSA-N
HMDB47070,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-57H2,1-3H3/b11-8-,20-17-,33-26-/t58-/m1/s1",XMIDMFLTTPZJFG,DTGSQNBHSA,N,"TG(24:0/16:0/18:3(9Z,12Z,15Z))",XMIDMFLTTPZJFG-DTGSQNBHSA-N
HMDB47071,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,38,41,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,33-26-,41-38-/t58-/m1/s1",WAYMRLQEAVIHIN,LQRXYVGKSA,N,"TG(24:0/16:0/18:4(6Z,9Z,12Z,15Z))",WAYMRLQEAVIHIN-LQRXYVGKSA-N
HMDB47072,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,38,60H,4-7,9-10,12-16,18-19,21-25,27,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,28-26-,38-35-/t60-/m1/s1",MLAAGFLYGGJEIR,UJCBBSHKSA,N,"TG(24:0/16:0/20:4(8Z,11Z,14Z,17Z))",MLAAGFLYGGJEIR-UJCBBSHKSA-N
HMDB47073,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,38,43,46,60H,4-7,9-10,12-16,18-19,21-25,27,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,28-26-,38-35-,46-43-/t60-/m1/s1",CSXWGAYDXHHFDH,JDRQHAIFSA,N,"TG(24:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",CSXWGAYDXHHFDH-JDRQHAIFSA-N
HMDB47074,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,40,42,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-39,41,43-61H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-40-/t62-/m1/s1",GOAZQNVEKKGHSM,QNQRIBHZSA,N,"TG(24:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",GOAZQNVEKKGHSM-QNQRIBHZSA-N
HMDB47075,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,40,42,48,51,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-40-,51-48-/t62-/m1/s1",MMDJVKGIZQLFEB,SOKPQWJVSA,N,"TG(24:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MMDJVKGIZQLFEB-SOKPQWJVSA-N
HMDB47076,932.913576964,C61H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-39-42-45-48-51-54-60(62)65-58-59(66-61(63)55-52-49-46-43-40-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3/t59-/m1/s1",AZPUDMMAUCCWEH,OBEXFZABSA,N,TG(24:0/16:0/o-18:0),AZPUDMMAUCCWEH-OBEXFZABSA-N
HMDB47077,1059.01804202,C69H134O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3",AVEBWBXQSHVLMI,UHFFFAOYSA,N,TG(24:0/18:0/24:0),AVEBWBXQSHVLMI-UHFFFAOYSA-N
HMDB47078,916.845891326,C59H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,18,56H,4-14,16-17,19-55H2,1-3H3/b18-15-/t56-/m1/s1",KWWVXMLEUYDGGY,AAABZKSKSA,N,TG(24:0/18:0/14:1(9Z)),KWWVXMLEUYDGGY-AAABZKSKSA-N
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HMDB47082,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h26,29,62H,4-25,27-28,30-61H2,1-3H3/b29-26-/t62-/m1/s1",YFYNMKPOIPEKDV,PFLKBAFQSA,N,TG(24:0/18:0/20:1(11Z)),YFYNMKPOIPEKDV-PFLKBAFQSA-N
HMDB47083,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h26,29,37,39,45,48,62H,4-25,27-28,30-36,38,40-44,46-47,49-61H2,1-3H3/b29-26-,39-37-,48-45-/t62-/m1/s1",YWLTULRBVTXKPF,BEBYXQEGSA,N,"TG(24:0/18:0/20:3(5Z,8Z,11Z))",YWLTULRBVTXKPF-BEBYXQEGSA-N
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HMDB47085,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,28,66H,4-24,26-27,29-65H2,1-3H3/b28-25-/t66-/m1/s1",PUWIFYFOPBIWJD,LBWHNTCBSA,N,TG(24:0/18:0/24:1(15Z)),PUWIFYFOPBIWJD-LBWHNTCBSA-N
HMDB47086,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,26,34,60H,4-16,18-19,21-25,27-33,35-59H2,1-3H3/b20-17-,34-26-/t60-/m1/s1",CLPGGZLOXDCDRW,WFYVVMRGSA,N,"TG(24:0/18:0/18:2(9Z,12Z))",CLPGGZLOXDCDRW-WFYVVMRGSA-N
HMDB47087,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,26,34,40,43,60H,4-16,18-19,21-25,27-33,35-39,41-42,44-59H2,1-3H3/b20-17-,34-26-,43-40-/t60-/m1/s1",GIPQJGVRFPTGNE,LRSIYDEUSA,N,"TG(24:0/18:0/18:3(6Z,9Z,12Z))",GIPQJGVRFPTGNE-LRSIYDEUSA-N
HMDB47088,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,62H,4-16,18-19,21-25,27-28,30-61H2,1-3H3/b20-17-,29-26-/t62-/m1/s1",KJAMHULFSZIQRQ,YJNPKASESA,N,TG(24:0/18:0/20:2n6),KJAMHULFSZIQRQ-YJNPKASESA-N
HMDB47089,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,39,62H,4-16,18-19,21-25,27-28,30-36,38,40-61H2,1-3H3/b20-17-,29-26-,39-37-/t62-/m1/s1",YWQJDWWPYVWOQL,ZHJGIBIESA,N,TG(24:0/18:0/20:3n6),YWQJDWWPYVWOQL-ZHJGIBIESA-N
HMDB47090,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,39,45,48,62H,4-16,18-19,21-25,27-28,30-36,38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,39-37-,48-45-/t62-/m1/s1",NNZASFCKYAJALV,UCYSZMIESA,N,"TG(24:0/18:0/20:4(5Z,8Z,11Z,14Z))",NNZASFCKYAJALV-UCYSZMIESA-N
HMDB47091,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,64H,4-16,18-19,21-25,27-28,30-63H2,1-3H3/b20-17-,29-26-/t64-/m1/s1",XSAFMFFLOUFIBL,RTSIJVPASA,N,"TG(24:0/18:0/22:2(13Z,16Z))",XSAFMFFLOUFIBL-RTSIJVPASA-N
HMDB47092,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,41,44,64H,4-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-63H2,1-3H3/b20-17-,29-26-,36-34-,44-41-/t64-/m1/s1",ZBICFADZLWVUFH,OJVUPGILSA,N,"TG(24:0/18:0/22:4(7Z,10Z,13Z,16Z))",ZBICFADZLWVUFH-OJVUPGILSA-N
HMDB47093,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,41,44,50,53,64H,4-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,29-26-,36-34-,44-41-,53-50-/t64-/m1/s1",FKVPBHRLJNODAP,OJKSQZELSA,N,"TG(24:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",FKVPBHRLJNODAP-OJKSQZELSA-N
HMDB47094,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,34,60H,4-7,9-10,12-16,18-19,21-25,27-33,35-59H2,1-3H3/b11-8-,20-17-,34-26-/t60-/m1/s1",URBAOCZNEPINCX,UDMQSNSMSA,N,"TG(24:0/18:0/18:3(9Z,12Z,15Z))",URBAOCZNEPINCX-UDMQSNSMSA-N
HMDB47095,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,34,40,43,60H,4-7,9-10,12-16,18-19,21-25,27-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,34-26-,43-40-/t60-/m1/s1",OBQQBOPIPFQDPJ,BVKAFERTSA,N,"TG(24:0/18:0/18:4(6Z,9Z,12Z,15Z))",OBQQBOPIPFQDPJ-BVKAFERTSA-N
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HMDB47097,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,39-37-,48-45-/t62-/m1/s1",KOJDFINTVYAWAK,HKVYJHGKSA,N,"TG(24:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",KOJDFINTVYAWAK-HKVYJHGKSA-N
HMDB47098,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,41,44,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,44-41-/t64-/m1/s1",CTXMSZYQQRFZKM,JPEWXOIPSA,N,"TG(24:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",CTXMSZYQQRFZKM-JPEWXOIPSA-N
HMDB47099,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,41,44,50,53,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,44-41-,53-50-/t64-/m1/s1",TXKJKHQHCDNAHE,GJFPQRSBSA,N,"TG(24:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",TXKJKHQHCDNAHE-GJFPQRSBSA-N
HMDB47100,960.944877093,C63H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h61H,4-60H2,1-3H3/t61-/m1/s1",VERZWPHOHUCATJ,QRXDBQBNSA,N,TG(24:0/18:0/o-18:0),VERZWPHOHUCATJ-QRXDBQBNSA-N
HMDB47101,1087.049342148,C71H138O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H138O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h68H,4-67H2,1-3H3",PWKFSXMWLFKYOZ,UHFFFAOYSA,N,TG(24:0/20:0/24:0),PWKFSXMWLFKYOZ-UHFFFAOYSA-N
HMDB47102,944.877191455,C61H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,18,58H,4-14,16-17,19-57H2,1-3H3/b18-15-/t58-/m1/s1",SIHRIKHNQCPDDI,HNOSMQIWSA,N,TG(24:0/20:0/14:1(9Z)),SIHRIKHNQCPDDI-HNOSMQIWSA-N
HMDB47103,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-/t60-/m1/s1",XXHFTCACPARCGZ,RXNSVRMPSA,N,TG(24:0/20:0/16:1(9Z)),XXHFTCACPARCGZ-RXNSVRMPSA-N
HMDB47104,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-/t62-/m1/s1",CHNSYYLJCHQSIA,QMNOEWNESA,N,TG(24:0/20:0/18:1(11Z)),CHNSYYLJCHQSIA-QMNOEWNESA-N
HMDB47105,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h27,36,62H,4-26,28-35,37-61H2,1-3H3/b36-27-/t62-/m1/s1",SOBLLMAXBZKHNW,QSCYOKGSSA,N,TG(24:0/20:0/18:1(9Z)),SOBLLMAXBZKHNW-QSCYOKGSSA-N
HMDB47106,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26,29,64H,4-25,27-28,30-63H2,1-3H3/b29-26-/t64-/m1/s1",AJSCZUACYPHBOO,QDZNGOTRSA,N,TG(24:0/20:0/20:1(11Z)),AJSCZUACYPHBOO-QDZNGOTRSA-N
HMDB47107,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26,29,38,41,47,50,64H,4-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b29-26-,41-38-,50-47-/t64-/m1/s1",IFTSOSUVNSPMJG,WUJWAVGMSA,N,"TG(24:0/20:0/20:3(5Z,8Z,11Z))",IFTSOSUVNSPMJG-WUJWAVGMSA-N
HMDB47108,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,66H,4-25,27-28,30-65H2,1-3H3/b29-26-/t66-/m1/s1",NLSIRHHSCAQXHM,YHVVGLNXSA,N,TG(24:0/20:0/22:1(13Z)),NLSIRHHSCAQXHM-YHVVGLNXSA-N
HMDB47109,1085.033692099,C71H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,68H,4-24,26-27,29-67H2,1-3H3/b28-25-/t68-/m1/s1",YDHPRABHLRFRNL,OFQXEWFGSA,N,TG(24:0/20:0/24:1(15Z)),YDHPRABHLRFRNL-OFQXEWFGSA-N
HMDB47110,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,62H,4-17,19-20,22-26,28-35,37-61H2,1-3H3/b21-18-,36-27-/t62-/m1/s1",YIGVQNMUDPOMPI,CUUCRUSKSA,N,"TG(24:0/20:0/18:2(9Z,12Z))",YIGVQNMUDPOMPI-CUUCRUSKSA-N
HMDB47111,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,42,45,62H,4-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b21-18-,36-27-,45-42-/t62-/m1/s1",JLDIVKBAJSKAGL,MPLBADKSSA,N,"TG(24:0/20:0/18:3(6Z,9Z,12Z))",JLDIVKBAJSKAGL-MPLBADKSSA-N
HMDB47112,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,64H,4-16,18-19,21-25,27-28,30-63H2,1-3H3/b20-17-,29-26-/t64-/m1/s1",HACBZICOQRJYDO,RTSIJVPASA,N,TG(24:0/20:0/20:2n6),HACBZICOQRJYDO-RTSIJVPASA-N
HMDB47113,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,64H,4-16,18-19,21-25,27-28,30-37,39-40,42-63H2,1-3H3/b20-17-,29-26-,41-38-/t64-/m1/s1",AAVJUUZQHFIDSS,CQQUKVLBSA,N,TG(24:0/20:0/20:3n6),AAVJUUZQHFIDSS-CQQUKVLBSA-N
HMDB47114,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,47,50,64H,4-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,29-26-,41-38-,50-47-/t64-/m1/s1",LLUPPXYUFOYJKC,RTNJTHOQSA,N,"TG(24:0/20:0/20:4(5Z,8Z,11Z,14Z))",LLUPPXYUFOYJKC-RTNJTHOQSA-N
HMDB47115,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,66H,4-16,18-19,21-25,27-28,30-65H2,1-3H3/b20-17-,29-26-/t66-/m1/s1",YWGWLAHBLRNDGA,DHFGBQHVSA,N,"TG(24:0/20:0/22:2(13Z,16Z))",YWGWLAHBLRNDGA-DHFGBQHVSA-N
HMDB47116,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,43,46,66H,4-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-65H2,1-3H3/b20-17-,29-26-,38-35-,46-43-/t66-/m1/s1",HQMVSYNDXVCNDH,GRYULBFPSA,N,"TG(24:0/20:0/22:4(7Z,10Z,13Z,16Z))",HQMVSYNDXVCNDH-GRYULBFPSA-N
HMDB47117,1048.9397917,C69H124O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,43,46,52,55,66H,4-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,29-26-,38-35-,46-43-,55-52-",BFWXSUPXACNOPH,INBRJYSMSA,N,"TG(24:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",BFWXSUPXACNOPH-INBRJYSMSA-N
HMDB47118,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-61H2,1-3H3/b12-9-,21-18-,36-27-/t62-/m1/s1",LGDOSJHHEXIEON,QNRBDIGJSA,N,"TG(24:0/20:0/18:3(9Z,12Z,15Z))",LGDOSJHHEXIEON-QNRBDIGJSA-N
HMDB47119,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,42,45,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,36-27-,45-42-/t62-/m1/s1",ZAKNJUFUCBJVDJ,RSRFECMUSA,N,"TG(24:0/20:0/18:4(6Z,9Z,12Z,15Z))",ZAKNJUFUCBJVDJ-RSRFECMUSA-N
HMDB47120,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,29-26-,41-38-/t64-/m1/s1",NVCRELLWGCJESS,HDGSYSRNSA,N,"TG(24:0/20:0/20:4(8Z,11Z,14Z,17Z))",NVCRELLWGCJESS-HDGSYSRNSA-N
HMDB47121,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,29-26-,41-38-,50-47-/t64-/m1/s1",XBILHUVZWVHNJW,UPWRRYJESA,N,"TG(24:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",XBILHUVZWVHNJW-UPWRRYJESA-N
HMDB47122,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,43,46,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,46-43-/t66-/m1/s1",XDRFHSFDRNWDRE,ZLQYXCQISA,N,"TG(24:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",XDRFHSFDRNWDRE-ZLQYXCQISA-N
HMDB47123,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,43,46,52,55,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,46-43-,55-52-/t66-/m1/s1",IZSNKWKHSWJXJW,MFKREVCASA,N,"TG(24:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IZSNKWKHSWJXJW-MFKREVCASA-N
HMDB47124,988.976177222,C65H128O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H128O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3/t63-/m1/s1",XZZFQBJMKOQUSE,AFLCPGBUSA,N,TG(24:0/20:0/o-18:0),XZZFQBJMKOQUSE-AFLCPGBUSA-N
HMDB47125,1115.080642276,C73H142O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H142O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h70H,4-69H2,1-3H3",FUQMFTGLWDZJFD,UHFFFAOYSA,N,TG(24:0/22:0/24:0),FUQMFTGLWDZJFD-UHFFFAOYSA-N
HMDB47126,972.908491584,C63H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,60H,4-14,16-17,19-59H2,1-3H3/b18-15-/t60-/m1/s1",FWVLOXKUQLDETR,UMYTVORISA,N,TG(24:0/22:0/14:1(9Z)),FWVLOXKUQLDETR-UMYTVORISA-N
HMDB47127,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-/t62-/m1/s1",UOMWSMKGBHZCOG,QMNOEWNESA,N,TG(24:0/22:0/16:1(9Z)),UOMWSMKGBHZCOG-QMNOEWNESA-N
HMDB47128,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-/t64-/m1/s1",CIPJJLKSTBYBAR,LQXLHNNNSA,N,TG(24:0/22:0/18:1(11Z)),CIPJJLKSTBYBAR-LQXLHNNNSA-N
HMDB47129,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h27,38,64H,4-26,28-37,39-63H2,1-3H3/b38-27-/t64-/m1/s1",KVOXCTRWVFVTEO,ABKPCVOHSA,N,TG(24:0/22:0/18:1(9Z)),KVOXCTRWVFVTEO-ABKPCVOHSA-N
HMDB47130,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,66H,4-26,28-29,31-65H2,1-3H3/b30-27-/t66-/m1/s1",XRLWPCFHYHWWAG,ZPRJOOCISA,N,TG(24:0/22:0/20:1(11Z)),XRLWPCFHYHWWAG-ZPRJOOCISA-N
HMDB47131,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,40,43,49,52,66H,4-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b30-27-,43-40-,52-49-/t66-/m1/s1",WGECRCCQUYLKIE,XADVDKHISA,N,"TG(24:0/22:0/20:3(5Z,8Z,11Z))",WGECRCCQUYLKIE-XADVDKHISA-N
HMDB47132,1085.033692099,C71H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26,29,68H,4-25,27-28,30-67H2,1-3H3/b29-26-/t68-/m1/s1",GIGBIGUEKBTRDQ,NKYIUZGISA,N,TG(24:0/22:0/22:1(13Z)),GIGBIGUEKBTRDQ-NKYIUZGISA-N
HMDB47133,1113.064992228,C73H140O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,70H,4-24,26-27,29-69H2,1-3H3/b28-25-/t70-/m1/s1",QGIJXQIMBSRIAG,ZBYTWTTCSA,N,TG(24:0/22:0/24:1(15Z)),QGIJXQIMBSRIAG-ZBYTWTTCSA-N
HMDB47134,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,38,64H,4-17,19-20,22-26,28-37,39-63H2,1-3H3/b21-18-,38-27-/t64-/m1/s1",NICHXBJTXJJTQT,YLCOHIRVSA,N,"TG(24:0/22:0/18:2(9Z,12Z))",NICHXBJTXJJTQT-YLCOHIRVSA-N
HMDB47135,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,38,44,47,64H,4-17,19-20,22-26,28-37,39-43,45-46,48-63H2,1-3H3/b21-18-,38-27-,47-44-/t64-/m1/s1",LLISOWLKEKFOOF,DLKINUJZSA,N,"TG(24:0/22:0/18:3(6Z,9Z,12Z))",LLISOWLKEKFOOF-DLKINUJZSA-N
HMDB47136,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,66H,4-17,19-20,22-26,28-29,31-65H2,1-3H3/b21-18-,30-27-/t66-/m1/s1",IQVFBHNCKLAOHJ,URHKZCJLSA,N,TG(24:0/22:0/20:2n6),IQVFBHNCKLAOHJ-URHKZCJLSA-N
HMDB47137,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,66H,4-17,19-20,22-26,28-29,31-39,41-42,44-65H2,1-3H3/b21-18-,30-27-,43-40-/t66-/m1/s1",HMAAHYBGYVYHAD,HTORXVLXSA,N,TG(24:0/22:0/20:3n6),HMAAHYBGYVYHAD-HTORXVLXSA-N
HMDB47138,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,49,52,66H,4-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,30-27-,43-40-,52-49-/t66-/m1/s1",AAWSPHNKTFCCQE,GRSBDEQXSA,N,"TG(24:0/22:0/20:4(5Z,8Z,11Z,14Z))",AAWSPHNKTFCCQE-GRSBDEQXSA-N
HMDB47139,1083.018042035,C71H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,68H,4-16,18-19,21-25,27-28,30-67H2,1-3H3/b20-17-,29-26-/t68-/m1/s1",LBDBUMKSVAWGKE,AVLZBURESA,N,"TG(24:0/22:0/22:2(13Z,16Z))",LBDBUMKSVAWGKE-AVLZBURESA-N
HMDB47140,1078.986741906,C71H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,68H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,29-26-,39-36-,48-45-/t68-/m1/s1",HLGMHAMDCWCTRM,GJUXUMTKSA,N,"TG(24:0/22:0/22:4(7Z,10Z,13Z,16Z))",HLGMHAMDCWCTRM-GJUXUMTKSA-N
HMDB47141,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,54,57,68H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,29-26-,39-36-,48-45-,57-54-/t68-/m1/s1",SYMCUBGGIPDUMS,YUXLNRFSSA,N,"TG(24:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",SYMCUBGGIPDUMS-YUXLNRFSSA-N
HMDB47142,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-63H2,1-3H3/b12-9-,21-18-,38-27-/t64-/m1/s1",ZQNRACPPBSVRID,QXLBQBTGSA,N,"TG(24:0/22:0/18:3(9Z,12Z,15Z))",ZQNRACPPBSVRID-QXLBQBTGSA-N
HMDB47143,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,44,47,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,38-27-,47-44-/t64-/m1/s1",CDTKZXLONUZNGH,BFLKORIOSA,N,"TG(24:0/22:0/18:4(6Z,9Z,12Z,15Z))",CDTKZXLONUZNGH-BFLKORIOSA-N
HMDB47144,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,30-27-,43-40-/t66-/m1/s1",QXLQNZZZWPJIMO,KLMMCEHQSA,N,"TG(24:0/22:0/20:4(8Z,11Z,14Z,17Z))",QXLQNZZZWPJIMO-KLMMCEHQSA-N
HMDB47145,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,30-27-,43-40-,52-49-/t66-/m1/s1",HHBJBBGUZVODTB,LSKBEDBASA,N,"TG(24:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",HHBJBBGUZVODTB-LSKBEDBASA-N
HMDB47146,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-/t68-/m1/s1",NRVHQMUGSKIXNN,FWOLCAKYSA,N,"TG(24:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",NRVHQMUGSKIXNN-FWOLCAKYSA-N
HMDB47147,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-,57-54-/t68-/m1/s1",WSUQBZPEIJECGJ,ASMNCZLRSA,N,"TG(24:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WSUQBZPEIJECGJ-ASMNCZLRSA-N
HMDB47148,1017.00747735,C67H132O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h65H,4-64H2,1-3H3/t65-/m1/s1",WDLVWJDZEAZPGN,IDKUVDLHSA,N,TG(24:0/22:0/o-18:0),WDLVWJDZEAZPGN-IDKUVDLHSA-N
HMDB47149,1143.111942404,C75H146O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C75H146O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h72H,4-71H2,1-3H3",KNXWLXDVNAYUHZ,UHFFFAOYSA,N,TG(24:0/24:0/24:0),KNXWLXDVNAYUHZ-UHFFFAOYSA-N
HMDB47150,1000.939791713,C65H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,62H,4-14,16-17,19-61H2,1-3H3/b18-15-/t62-/m1/s1",LUVOGCCKPQSZMO,GGYFTFGZSA,N,TG(24:0/24:0/14:1(9Z)),LUVOGCCKPQSZMO-GGYFTFGZSA-N
HMDB47151,1028.971091842,C67H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-/t64-/m1/s1",QCAAQSLLFSEJSM,LQXLHNNNSA,N,TG(24:0/24:0/16:1(9Z)),QCAAQSLLFSEJSM-LQXLHNNNSA-N
HMDB47152,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,66H,4-20,22-23,25-65H2,1-3H3/b24-21-/t66-/m1/s1",SGRANAHCWPQECS,WSXJNCRMSA,N,TG(24:0/24:0/18:1(11Z)),SGRANAHCWPQECS-WSXJNCRMSA-N
HMDB47153,1057.00239197,C69H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,40,66H,4-26,28-39,41-65H2,1-3H3/b40-27-/t66-/m1/s1",HWPBFIZUPJDSFA,MQRVSWRUSA,N,TG(24:0/24:0/18:1(9Z)),HWPBFIZUPJDSFA-MQRVSWRUSA-N
HMDB47154,1085.033692099,C71H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,68H,4-26,28-29,31-67H2,1-3H3/b30-27-/t68-/m1/s1",KEHZDMHDXXTZQA,QHQGFHIPSA,N,TG(24:0/24:0/20:1(11Z)),KEHZDMHDXXTZQA-QHQGFHIPSA-N
HMDB47155,1081.00239197,C71H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,42,45,51,54,68H,4-26,28-29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b30-27-,45-42-,54-51-/t68-/m1/s1",XMAGSYJVKRREEN,AQZHNLQKSA,N,"TG(24:0/24:0/20:3(5Z,8Z,11Z))",XMAGSYJVKRREEN-AQZHNLQKSA-N
HMDB47156,1113.064992228,C73H140O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,70H,4-26,28-29,31-69H2,1-3H3/b30-27-/t70-/m1/s1",ZKWAIJJCDSHFPI,MSBVYQSRSA,N,TG(24:0/24:0/22:1(13Z)),ZKWAIJJCDSHFPI-MSBVYQSRSA-N
HMDB47157,1141.096292357,C75H144O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C75H144O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,72H,4-24,26-27,29-71H2,1-3H3/b28-25-/t72-/m1/s1",OSQKBQMPITZZGP,YIOQRJJYSA,N,TG(24:0/24:0/24:1(15Z)),OSQKBQMPITZZGP-YIOQRJJYSA-N
HMDB47158,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,40,66H,4-17,19-20,22-26,28-39,41-65H2,1-3H3/b21-18-,40-27-/t66-/m1/s1",SNATWUDOCLSKEY,JAZZLXDUSA,N,"TG(24:0/24:0/18:2(9Z,12Z))",SNATWUDOCLSKEY-JAZZLXDUSA-N
HMDB47159,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,40,46,49,66H,4-17,19-20,22-26,28-39,41-45,47-48,50-65H2,1-3H3/b21-18-,40-27-,49-46-/t66-/m1/s1",OZILFCFMIVJONC,ZCYBBYPISA,N,"TG(24:0/24:0/18:3(6Z,9Z,12Z))",OZILFCFMIVJONC-ZCYBBYPISA-N
HMDB47160,1083.018042035,C71H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,68H,4-17,19-20,22-26,28-29,31-67H2,1-3H3/b21-18-,30-27-/t68-/m1/s1",UGTGJDWIWLZQNN,XLYCGBMXSA,N,TG(24:0/24:0/20:2n6),UGTGJDWIWLZQNN-XLYCGBMXSA-N
HMDB47161,1081.00239197,C71H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,42,45,68H,4-17,19-20,22-26,28-29,31-41,43-44,46-67H2,1-3H3/b21-18-,30-27-,45-42-/t68-/m1/s1",QREDKHIDXFXMBJ,BDJKKIGJSA,N,TG(24:0/24:0/20:3n6),QREDKHIDXFXMBJ-BDJKKIGJSA-N
HMDB47162,1078.986741906,C71H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,42,45,51,54,68H,4-17,19-20,22-26,28-29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b21-18-,30-27-,45-42-,54-51-/t68-/m1/s1",MIIPJNIREXFDHO,QUPVJNNYSA,N,"TG(24:0/24:0/20:4(5Z,8Z,11Z,14Z))",MIIPJNIREXFDHO-QUPVJNNYSA-N
HMDB47163,1111.049342164,C73H138O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,70H,4-17,19-20,22-26,28-29,31-69H2,1-3H3/b21-18-,30-27-/t70-/m1/s1",WYZRSSAFHWGALP,OUGIYORVSA,N,"TG(24:0/24:0/22:2(13Z,16Z))",WYZRSSAFHWGALP-OUGIYORVSA-N
HMDB47164,1107.018042035,C73H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,47,50,70H,4-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b21-18-,30-27-,41-38-,50-47-/t70-/m1/s1",QFGXSEAYTPBSGF,WNJGMTOCSA,N,"TG(24:0/24:0/22:4(7Z,10Z,13Z,16Z))",QFGXSEAYTPBSGF-WNJGMTOCSA-N
HMDB47165,1105.00239197,C73H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,47,50,56,59,70H,4-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b21-18-,30-27-,41-38-,50-47-,59-56-/t70-/m1/s1",NOWNQKFHFLFALE,JNKXODFOSA,N,"TG(24:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",NOWNQKFHFLFALE-JNKXODFOSA-N
HMDB47166,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,40,66H,4-8,10-11,13-17,19-20,22-26,28-39,41-65H2,1-3H3/b12-9-,21-18-,40-27-/t66-/m1/s1",GFSIXJHNXFJPFA,NRAQDPNQSA,N,"TG(24:0/24:0/18:3(9Z,12Z,15Z))",GFSIXJHNXFJPFA-NRAQDPNQSA-N
HMDB47167,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,40,46,49,66H,4-8,10-11,13-17,19-20,22-26,28-39,41-45,47-48,50-65H2,1-3H3/b12-9-,21-18-,40-27-,49-46-/t66-/m1/s1",GYSAWLJOTGTFAZ,IAFQKEBASA,N,"TG(24:0/24:0/18:4(6Z,9Z,12Z,15Z))",GYSAWLJOTGTFAZ-IAFQKEBASA-N
HMDB47168,1078.986741906,C71H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,42,45,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-41,43-44,46-67H2,1-3H3/b12-9-,21-18-,30-27-,45-42-/t68-/m1/s1",BBSHCOVWUFBUAT,OLMRJWPASA,N,"TG(24:0/24:0/20:4(8Z,11Z,14Z,17Z))",BBSHCOVWUFBUAT-OLMRJWPASA-N
HMDB47169,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,42,45,51,54,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b12-9-,21-18-,30-27-,45-42-,54-51-/t68-/m1/s1",BZPAKINKPORBFO,OJPPXDTKSA,N,"TG(24:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",BZPAKINKPORBFO-OJPPXDTKSA-N
HMDB47170,1105.00239197,C73H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,47,50,70H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b12-9-,21-18-,30-27-,41-38-,50-47-/t70-/m1/s1",RHSNSIAVECVHPE,KJNVLBMHSA,N,"TG(24:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",RHSNSIAVECVHPE-KJNVLBMHSA-N
HMDB47171,1102.986741906,C73H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,47,50,56,59,70H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b12-9-,21-18-,30-27-,41-38-,50-47-,59-56-/t70-/m1/s1",FNYNWNDCYCMMRX,JKWWGKQUSA,N,"TG(24:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FNYNWNDCYCMMRX-JKWWGKQUSA-N
HMDB47172,1045.038777479,C69H136O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H136O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-66-67(65-72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h67H,4-66H2,1-3H3/t67-/m1/s1",OAKCIMQTYHAVQF,XQIOEBDSSA,N,TG(24:0/24:0/o-18:0),OAKCIMQTYHAVQF-XQIOEBDSSA-N
HMDB47173,1000.9397917,C65H124O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,62H,4-14,16-17,19-61H2,1-3H3/b18-15-",LUKRTEJCYWPFBI,SDXDJHTJSA,N,TG(24:0/14:1(9Z)/24:0),LUKRTEJCYWPFBI-SDXDJHTJSA-N
HMDB47174,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h14-15,17-18,52H,4-13,16,19-51H2,1-3H3/b17-14-,18-15-/t52-/m1/s1",MPOOLVIFRXUEDU,ZLEQKKJFSA,N,TG(24:0/14:1(9Z)/14:1(9Z)),MPOOLVIFRXUEDU-ZLEQKKJFSA-N
HMDB47175,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-/t54-/m1/s1",QYZXGZHCVXOBCJ,IORUBXTKSA,N,TG(24:0/14:1(9Z)/16:1(9Z)),QYZXGZHCVXOBCJ-IORUBXTKSA-N
HMDB47176,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,20,23,56H,4-14,16-17,19,21-22,24-55H2,1-3H3/b18-15-,23-20-/t56-/m1/s1",JCOOWXXKIVGLLZ,MCIXCOEMSA,N,TG(24:0/14:1(9Z)/18:1(11Z)),JCOOWXXKIVGLLZ-MCIXCOEMSA-N
HMDB47177,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,25,32,56H,4-14,16-17,19-24,26-31,33-55H2,1-3H3/b18-15-,32-25-/t56-/m1/s1",XHAVMTLJTOZKKY,XXWNTSGZSA,N,TG(24:0/14:1(9Z)/18:1(9Z)),XHAVMTLJTOZKKY-XXWNTSGZSA-N
HMDB47178,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,58H,4-14,16-17,19-24,26,28-57H2,1-3H3/b18-15-,27-25-/t58-/m1/s1",XXGCNFKQIMIEKF,XCYFVEGBSA,N,TG(24:0/14:1(9Z)/20:1(11Z)),XXGCNFKQIMIEKF-XCYFVEGBSA-N
HMDB47179,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,34,36,41,44,58H,4-14,16-17,19-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b18-15-,27-25-,36-34-,44-41-/t58-/m1/s1",UFISVPDSQMIDGI,KDBREOEUSA,N,"TG(24:0/14:1(9Z)/20:3(5Z,8Z,11Z))",UFISVPDSQMIDGI-KDBREOEUSA-N
HMDB47180,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,60H,4-14,16-17,19-24,26,28-59H2,1-3H3/b18-15-,27-25-/t60-/m1/s1",ABLVQVNHRJIDDA,NYMNXKKASA,N,TG(24:0/14:1(9Z)/22:1(13Z)),ABLVQVNHRJIDDA-NYMNXKKASA-N
HMDB47181,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,62H,4-14,16-17,19-23,25,27-61H2,1-3H3/b18-15-,26-24-/t62-/m1/s1",IDECBGGTESNQBW,GUELTTLQSA,N,TG(24:0/14:1(9Z)/24:1(15Z)),IDECBGGTESNQBW-GUELTTLQSA-N
HMDB47182,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,32,56H,4-14,16,19,21-24,26-31,33-55H2,1-3H3/b18-15-,20-17-,32-25-/t56-/m1/s1",BKKYTMDWVAPTDO,KGGOATSCSA,N,"TG(24:0/14:1(9Z)/18:2(9Z,12Z))",BKKYTMDWVAPTDO-KGGOATSCSA-N
HMDB47183,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,32,37,39,56H,4-14,16,19,21-24,26-31,33-36,38,40-55H2,1-3H3/b18-15-,20-17-,32-25-,39-37-/t56-/m1/s1",QGOMFKVLWKKSAI,UKGYFUFJSA,N,"TG(24:0/14:1(9Z)/18:3(6Z,9Z,12Z))",QGOMFKVLWKKSAI-UKGYFUFJSA-N
HMDB47184,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,58H,4-14,16,19,21-24,26,28-57H2,1-3H3/b18-15-,20-17-,27-25-/t58-/m1/s1",QBIXIQXOQCCVJI,QUIYVIRQSA,N,TG(24:0/14:1(9Z)/20:2n6),QBIXIQXOQCCVJI-QUIYVIRQSA-N
HMDB47185,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,34,36,58H,4-14,16,19,21-24,26,28-33,35,37-57H2,1-3H3/b18-15-,20-17-,27-25-,36-34-/t58-/m1/s1",XDOWEQFXTJXLQK,NQSQMGGWSA,N,TG(24:0/14:1(9Z)/20:3n6),XDOWEQFXTJXLQK-NQSQMGGWSA-N
HMDB47186,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,34,36,41,44,58H,4-14,16,19,21-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b18-15-,20-17-,27-25-,36-34-,44-41-/t58-/m1/s1",BQJQQLBXXLOZII,ORVFCJLPSA,N,"TG(24:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",BQJQQLBXXLOZII-ORVFCJLPSA-N
HMDB47187,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,60H,4-14,16,19,21-24,26,28-59H2,1-3H3/b18-15-,20-17-,27-25-/t60-/m1/s1",VQFSLGRGKYUSSR,RBAYELBESA,N,"TG(24:0/14:1(9Z)/22:2(13Z,16Z))",VQFSLGRGKYUSSR-RBAYELBESA-N
HMDB47188,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,38,41,60H,4-14,16,19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,41-38-/t60-/m1/s1",VHXPQJFOLJPCQU,DXHUEQHBSA,N,"TG(24:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",VHXPQJFOLJPCQU-DXHUEQHBSA-N
HMDB47189,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,38,41,46,49,60H,4-14,16,19,21-24,26,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,41-38-,49-46-/t60-/m1/s1",DZKPWYXJQNAJRE,FVVCBLSCSA,N,"TG(24:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DZKPWYXJQNAJRE-FVVCBLSCSA-N
HMDB47190,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-/t56-/m1/s1",OXVYGESLMLHRKC,GKAFLOITSA,N,"TG(24:0/14:1(9Z)/18:3(9Z,12Z,15Z))",OXVYGESLMLHRKC-GKAFLOITSA-N
HMDB47191,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,37,39,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-36,38,40-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-,39-37-/t56-/m1/s1",PNBCQISAHMQCBP,NZSHVLESSA,N,"TG(24:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",PNBCQISAHMQCBP-NZSHVLESSA-N
HMDB47192,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,34,36,58H,4-7,9-10,12-14,16,19,21-24,26,28-33,35,37-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,36-34-/t58-/m1/s1",QLJPMHMONNFZOW,ZMGORLCPSA,N,"TG(24:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",QLJPMHMONNFZOW-ZMGORLCPSA-N
HMDB47193,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,34,36,41,44,58H,4-7,9-10,12-14,16,19,21-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,36-34-,44-41-/t58-/m1/s1",FNOIVLOOCMYSDM,QDEXZOOQSA,N,"TG(24:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FNOIVLOOCMYSDM-QDEXZOOQSA-N
HMDB47194,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,38,41,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,41-38-/t60-/m1/s1",BZZJVZIMQHLYFH,KQYNYONPSA,N,"TG(24:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BZZJVZIMQHLYFH-KQYNYONPSA-N
HMDB47195,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,38,41,46,49,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,41-38-,49-46-/t60-/m1/s1",ZULLNJQUQUSRNL,WADUYCHISA,N,"TG(24:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZULLNJQUQUSRNL-WADUYCHISA-N
HMDB47196,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h15,18,57H,4-14,16-17,19-56H2,1-3H3/b18-15-/t57-/m1/s1",KWSTWEQIGGYEMX,WYUVFQPTSA,N,TG(24:0/14:1(9Z)/o-18:0),KWSTWEQIGGYEMX-WYUVFQPTSA-N
HMDB47197,1028.971091828,C67H128O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-",MPJXAVRCDYLFJT,FLFQWRMESA,N,TG(24:0/16:1(9Z)/24:0),MPJXAVRCDYLFJT-FLFQWRMESA-N
HMDB47198,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-/t54-/m1/s1",LJPSUZOFXZPCRZ,IORUBXTKSA,N,TG(24:0/16:1(9Z)/14:1(9Z)),LJPSUZOFXZPCRZ-IORUBXTKSA-N
HMDB47199,914.830241252,C59H110O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-/t56-/m1/s1",JKLQMZASXAUKDG,ZLUYPCRLSA,N,TG(24:0/16:1(9Z)/16:1(9Z)),JKLQMZASXAUKDG-ZLUYPCRLSA-N
HMDB47200,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h20-21,23-24,58H,4-19,22,25-57H2,1-3H3/b23-20-,24-21-/t58-/m1/s1",WBFSLXIVMFYBJL,GMFCVOFDSA,N,TG(24:0/16:1(9Z)/18:1(11Z)),WBFSLXIVMFYBJL-GMFCVOFDSA-N
HMDB47201,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h21,24,26,33,58H,4-20,22-23,25,27-32,34-57H2,1-3H3/b24-21-,33-26-/t58-/m1/s1",RKDUCRGKMCKYTN,DBLPNNMMSA,N,TG(24:0/16:1(9Z)/18:1(9Z)),RKDUCRGKMCKYTN-DBLPNNMMSA-N
HMDB47202,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,60H,4-20,22-23,25,27,29-59H2,1-3H3/b24-21-,28-26-/t60-/m1/s1",QYDPSHIZJLSVKM,MOBNGOAYSA,N,TG(24:0/16:1(9Z)/20:1(11Z)),QYDPSHIZJLSVKM-MOBNGOAYSA-N
HMDB47203,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,35,38,43,46,60H,4-20,22-23,25,27,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b24-21-,28-26-,38-35-,46-43-/t60-/m1/s1",IRMUTXUYWRLUGE,JTNZRJBRSA,N,"TG(24:0/16:1(9Z)/20:3(5Z,8Z,11Z))",IRMUTXUYWRLUGE-JTNZRJBRSA-N
HMDB47204,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,62H,4-20,22-23,25,27,29-61H2,1-3H3/b24-21-,28-26-/t62-/m1/s1",MGCBUNDUQLGLGV,GDLLHPRQSA,N,TG(24:0/16:1(9Z)/22:1(13Z)),MGCBUNDUQLGLGV-GDLLHPRQSA-N
HMDB47205,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,64H,4-20,22-23,26,28-63H2,1-3H3/b24-21-,27-25-/t64-/m1/s1",KSYRZJMUASZBAL,PRPTZMJNSA,N,TG(24:0/16:1(9Z)/24:1(15Z)),KSYRZJMUASZBAL-PRPTZMJNSA-N
HMDB47206,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,33,58H,4-16,18-19,22-23,25,27-32,34-57H2,1-3H3/b20-17-,24-21-,33-26-/t58-/m1/s1",USMSEKIRTKUMEG,KQSPMYCLSA,N,"TG(24:0/16:1(9Z)/18:2(9Z,12Z))",USMSEKIRTKUMEG-KQSPMYCLSA-N
HMDB47207,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,33,38,41,58H,4-16,18-19,22-23,25,27-32,34-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,33-26-,41-38-/t58-/m1/s1",LBZONYRNSJMDKD,LSZOQQCOSA,N,"TG(24:0/16:1(9Z)/18:3(6Z,9Z,12Z))",LBZONYRNSJMDKD-LSZOQQCOSA-N
HMDB47208,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,60H,4-16,18-19,22-23,25,27,29-59H2,1-3H3/b20-17-,24-21-,28-26-/t60-/m1/s1",RHKGVUCWKLHRQP,XQVSIXSYSA,N,TG(24:0/16:1(9Z)/20:2n6),RHKGVUCWKLHRQP-XQVSIXSYSA-N
HMDB47209,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,35,38,60H,4-16,18-19,22-23,25,27,29-34,36-37,39-59H2,1-3H3/b20-17-,24-21-,28-26-,38-35-/t60-/m1/s1",MPULJGAMFCKYGH,RMDGVKKYSA,N,TG(24:0/16:1(9Z)/20:3n6),MPULJGAMFCKYGH-RMDGVKKYSA-N
HMDB47210,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,35,38,43,46,60H,4-16,18-19,22-23,25,27,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b20-17-,24-21-,28-26-,38-35-,46-43-/t60-/m1/s1",PTCDSFDXNQAUJF,MKMMENHLSA,N,"TG(24:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",PTCDSFDXNQAUJF-MKMMENHLSA-N
HMDB47211,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,62H,4-16,18-19,22-23,25,27,29-61H2,1-3H3/b20-17-,24-21-,28-26-/t62-/m1/s1",YRESWGPIUHDMNF,DEJIBVHQSA,N,"TG(24:0/16:1(9Z)/22:2(13Z,16Z))",YRESWGPIUHDMNF-DEJIBVHQSA-N
HMDB47212,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,35,40,42,62H,4-16,18-19,22-23,25,27,29-32,34,36-39,41,43-61H2,1-3H3/b20-17-,24-21-,28-26-,35-33-,42-40-/t62-/m1/s1",YAIOFQRPMARPIB,LCPMHHRISA,N,"TG(24:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",YAIOFQRPMARPIB-LCPMHHRISA-N
HMDB47213,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,35,40,42,48,51,62H,4-16,18-19,22-23,25,27,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b20-17-,24-21-,28-26-,35-33-,42-40-,51-48-/t62-/m1/s1",JCNUICOEGMKUNT,CIONITPOSA,N,"TG(24:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JCNUICOEGMKUNT-CIONITPOSA-N
HMDB47214,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-/t58-/m1/s1",RCHRBILGWVSBMD,XNMIHLJYSA,N,"TG(24:0/16:1(9Z)/18:3(9Z,12Z,15Z))",RCHRBILGWVSBMD-XNMIHLJYSA-N
HMDB47215,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,38,41,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-,41-38-/t58-/m1/s1",AUNFUXKDLVJGSZ,NOWYGAMHSA,N,"TG(24:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",AUNFUXKDLVJGSZ-NOWYGAMHSA-N
HMDB47216,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,35,38,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,38-35-/t60-/m1/s1",NWCKRGICIKHKFU,KNSFNSQFSA,N,"TG(24:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",NWCKRGICIKHKFU-KNSFNSQFSA-N
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HMDB47235,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,64H,4-16,18-19,22-23,25,27-28,30-63H2,1-3H3/b20-17-,24-21-,29-26-/t64-/m1/s1",KERUCZQDZYRLMV,RTUIAVRWSA,N,"TG(24:0/18:1(11Z)/22:2(13Z,16Z))",KERUCZQDZYRLMV-RTUIAVRWSA-N
HMDB47236,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,36,41,44,64H,4-16,18-19,22-23,25,27-28,30-33,35,37-40,42-43,45-63H2,1-3H3/b20-17-,24-21-,29-26-,36-34-,44-41-/t64-/m1/s1",QWDLPJAHHKRNCG,IBEREOJQSA,N,"TG(24:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",QWDLPJAHHKRNCG-IBEREOJQSA-N
HMDB47237,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,36,41,44,50,53,64H,4-16,18-19,22-23,25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,24-21-,29-26-,36-34-,44-41-,53-50-/t64-/m1/s1",RIJQTEYQUIRREU,KTJYYLGCSA,N,"TG(24:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RIJQTEYQUIRREU-KTJYYLGCSA-N
HMDB47238,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,34,60H,4-7,9-10,12-16,18-19,22-23,25,27-33,35-59H2,1-3H3/b11-8-,20-17-,24-21-,34-26-/t60-/m1/s1",JTMWSXQSMSFDAB,XITMOLFCSA,N,"TG(24:0/18:1(11Z)/18:3(9Z,12Z,15Z))",JTMWSXQSMSFDAB-XITMOLFCSA-N
HMDB47239,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,34,40,43,60H,4-7,9-10,12-16,18-19,22-23,25,27-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,24-21-,34-26-,43-40-/t60-/m1/s1",WNTKADGAFKNKPP,YGFWICIISA,N,"TG(24:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",WNTKADGAFKNKPP-YGFWICIISA-N
HMDB47240,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,37,39,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-36,38,40-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,39-37-/t62-/m1/s1",LQSSRXOXRRRCBO,BIYLTOHFSA,N,"TG(24:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",LQSSRXOXRRRCBO-BIYLTOHFSA-N
HMDB47241,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,37,39,45,48,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-36,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,39-37-,48-45-/t62-/m1/s1",SVHRIDSBRWODTJ,PPXUWJSYSA,N,"TG(24:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SVHRIDSBRWODTJ-PPXUWJSYSA-N
HMDB47242,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,36,41,44,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35,37-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,36-34-,44-41-/t64-/m1/s1",OUYSIGXVVHVWEK,YTKMJTSYSA,N,"TG(24:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OUYSIGXVVHVWEK-YTKMJTSYSA-N
HMDB47243,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,36,41,44,50,53,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,36-34-,44-41-,53-50-/t64-/m1/s1",TXOGYBKBKXIUOH,MRWRPSDGSA,N,"TG(24:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",TXOGYBKBKXIUOH-MRWRPSDGSA-N
HMDB47244,958.929227028,C63H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h21,24,61H,4-20,22-23,25-60H2,1-3H3/b24-21-/t61-/m1/s1",AEWUIILVPVQOTF,NYINCGHRSA,N,TG(24:0/18:1(11Z)/o-18:0),AEWUIILVPVQOTF-NYINCGHRSA-N
HMDB47245,1057.002391956,C69H132O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,40,66H,4-26,28-39,41-65H2,1-3H3/b40-27-",DEDRXCYPJMGUDS,DPVRLLIJSA,N,TG(24:0/18:1(9Z)/24:0),DEDRXCYPJMGUDS-DPVRLLIJSA-N
HMDB47246,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,18,25,32,56H,4-14,16-17,19-24,26-31,33-55H2,1-3H3/b18-15-,32-25-/t56-/m1/s1",SEPILWBSQJWVGW,XXWNTSGZSA,N,TG(24:0/18:1(9Z)/14:1(9Z)),SEPILWBSQJWVGW-XXWNTSGZSA-N
HMDB47247,942.86154138,C61H114O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h21,24,26,33,58H,4-20,22-23,25,27-32,34-57H2,1-3H3/b24-21-,33-26-/t58-/m1/s1",KGUKXPWFPDKTLO,DBLPNNMMSA,N,TG(24:0/18:1(9Z)/16:1(9Z)),KGUKXPWFPDKTLO-DBLPNNMMSA-N
HMDB47248,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h20,23,27,35,60H,4-19,21-22,24-26,28-34,36-59H2,1-3H3/b23-20-,35-27-/t60-/m1/s1",GVCWIXNHGLSALQ,KKDRTGKDSA,N,TG(24:0/18:1(9Z)/18:1(11Z)),GVCWIXNHGLSALQ-KKDRTGKDSA-N
HMDB47249,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h26-27,34-35,60H,4-25,28-33,36-59H2,1-3H3/b34-26-,35-27-/t60-/m1/s1",OZGHAUBMNCOWIH,CCWNELFASA,N,TG(24:0/18:1(9Z)/18:1(9Z)),OZGHAUBMNCOWIH-CCWNELFASA-N
HMDB47250,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36,62H,4-25,28,30-35,37-61H2,1-3H3/b29-26-,36-27-/t62-/m1/s1",NIHKISRZLLALBF,GNGQYKFXSA,N,TG(24:0/18:1(9Z)/20:1(11Z)),NIHKISRZLLALBF-GNGQYKFXSA-N
HMDB47251,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36-37,39,45,48,62H,4-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",DTFWEUMRNZYZQN,ZUTJRESESA,N,"TG(24:0/18:1(9Z)/20:3(5Z,8Z,11Z))",DTFWEUMRNZYZQN-ZUTJRESESA-N
HMDB47252,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,38,64H,4-25,28,30-37,39-63H2,1-3H3/b29-26-,38-27-/t64-/m1/s1",XMSQKHZITXQCGQ,VKWOWJGRSA,N,TG(24:0/18:1(9Z)/22:1(13Z)),XMSQKHZITXQCGQ-VKWOWJGRSA-N
HMDB47253,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,40,66H,4-24,26,29-39,41-65H2,1-3H3/b28-25-,40-27-/t66-/m1/s1",LDJLSZHFWSMQSB,OGUMDIEHSA,N,TG(24:0/18:1(9Z)/24:1(15Z)),LDJLSZHFWSMQSB-OGUMDIEHSA-N
HMDB47254,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,26-27,34-35,60H,4-16,18-19,21-25,28-33,36-59H2,1-3H3/b20-17-,34-26-,35-27-/t60-/m1/s1",LZWYQOUXYAEBEU,QZWBWMDUSA,N,"TG(24:0/18:1(9Z)/18:2(9Z,12Z))",LZWYQOUXYAEBEU-QZWBWMDUSA-N
HMDB47255,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,26-27,34-35,40,43,60H,4-16,18-19,21-25,28-33,36-39,41-42,44-59H2,1-3H3/b20-17-,34-26-,35-27-,43-40-/t60-/m1/s1",BLEZXNLVEWZCRH,SDNRSMOOSA,N,"TG(24:0/18:1(9Z)/18:3(6Z,9Z,12Z))",BLEZXNLVEWZCRH-SDNRSMOOSA-N
HMDB47256,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36,62H,4-16,18-19,21-25,28,30-35,37-61H2,1-3H3/b20-17-,29-26-,36-27-/t62-/m1/s1",VVSHWRHUFQSVCP,GLCONDBNSA,N,TG(24:0/18:1(9Z)/20:2n6),VVSHWRHUFQSVCP-GLCONDBNSA-N
HMDB47257,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36-37,39,62H,4-16,18-19,21-25,28,30-35,38,40-61H2,1-3H3/b20-17-,29-26-,36-27-,39-37-/t62-/m1/s1",OINYVVSCKIASNK,OWZWSMNFSA,N,TG(24:0/18:1(9Z)/20:3n6),OINYVVSCKIASNK-OWZWSMNFSA-N
HMDB47258,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36-37,39,45,48,62H,4-16,18-19,21-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",JWQXPODOMBKRLX,JRDRDBRXSA,N,"TG(24:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",JWQXPODOMBKRLX-JRDRDBRXSA-N
HMDB47259,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,38,64H,4-16,18-19,21-25,28,30-37,39-63H2,1-3H3/b20-17-,29-26-,38-27-/t64-/m1/s1",RBDJFKDUNJYRQR,XUUBUSCKSA,N,"TG(24:0/18:1(9Z)/22:2(13Z,16Z))",RBDJFKDUNJYRQR-XUUBUSCKSA-N
HMDB47260,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,38,41,44,64H,4-16,18-19,21-25,28,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b20-17-,29-26-,36-34-,38-27-,44-41-/t64-/m1/s1",VMVNSRIHHULRAK,RXOOLGIXSA,N,"TG(24:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",VMVNSRIHHULRAK-RXOOLGIXSA-N
HMDB47261,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,38,41,44,50,53,64H,4-16,18-19,21-25,28,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,29-26-,36-34-,38-27-,44-41-,53-50-/t64-/m1/s1",OBRMYXIIQDJTEE,UMVPQLKUSA,N,"TG(24:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OBRMYXIIQDJTEE-UMVPQLKUSA-N
HMDB47262,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,34-35,60H,4-7,9-10,12-16,18-19,21-25,28-33,36-59H2,1-3H3/b11-8-,20-17-,34-26-,35-27-/t60-/m1/s1",AGZNGMZBQPKGJK,NKNKUKIVSA,N,"TG(24:0/18:1(9Z)/18:3(9Z,12Z,15Z))",AGZNGMZBQPKGJK-NKNKUKIVSA-N
HMDB47263,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,34-35,40,43,60H,4-7,9-10,12-16,18-19,21-25,28-33,36-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,34-26-,35-27-,43-40-/t60-/m1/s1",OWLALMGEVBJBJV,GLXVKYISSA,N,"TG(24:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",OWLALMGEVBJBJV-GLXVKYISSA-N
HMDB47264,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36-37,39,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,39-37-/t62-/m1/s1",TZNLOPRTVSIEDX,CZKQCSDOSA,N,"TG(24:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",TZNLOPRTVSIEDX-CZKQCSDOSA-N
HMDB47265,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36-37,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",DXTXQTOAMBOQAA,KMBMCFDCSA,N,"TG(24:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",DXTXQTOAMBOQAA-KMBMCFDCSA-N
HMDB47266,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,38,41,44,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,38-27-,44-41-/t64-/m1/s1",LMGSEVUMDHZWJM,JJJACFADSA,N,"TG(24:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LMGSEVUMDHZWJM-JJJACFADSA-N
HMDB47267,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,38,41,44,50,53,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,38-27-,44-41-,53-50-/t64-/m1/s1",ZUPFKMRCZLDPRE,BGXLOXNBSA,N,"TG(24:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZUPFKMRCZLDPRE-BGXLOXNBSA-N
HMDB47268,958.929227028,C63H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h27,35,61H,4-26,28-34,36-60H2,1-3H3/b35-27-/t61-/m1/s1",OIXSAFSNRKDPLC,KPUVNLRISA,N,TG(24:0/18:1(9Z)/o-18:0),OIXSAFSNRKDPLC-KPUVNLRISA-N
HMDB47269,1085.033692084,C71H136O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,68H,4-26,28-29,31-67H2,1-3H3/b30-27-",KGGLADNQFVMBMH,IKPAITLHSA,N,TG(24:0/20:1(11Z)/24:0),KGGLADNQFVMBMH-IKPAITLHSA-N
HMDB47270,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,58H,4-14,16-17,19-24,26,28-57H2,1-3H3/b18-15-,27-25-/t58-/m1/s1",NXBSSTRUFABJPB,XCYFVEGBSA,N,TG(24:0/20:1(11Z)/14:1(9Z)),NXBSSTRUFABJPB-XCYFVEGBSA-N
HMDB47271,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,60H,4-20,22-23,25,27,29-59H2,1-3H3/b24-21-,28-26-/t60-/m1/s1",WLQOSKFMJPLCIL,MOBNGOAYSA,N,TG(24:0/20:1(11Z)/16:1(9Z)),WLQOSKFMJPLCIL-MOBNGOAYSA-N
HMDB47272,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,62H,4-20,22-23,25,27-28,30-61H2,1-3H3/b24-21-,29-26-/t62-/m1/s1",LPZIAPKRJLDJED,XQDJBIRFSA,N,TG(24:0/20:1(11Z)/18:1(11Z)),LPZIAPKRJLDJED-XQDJBIRFSA-N
HMDB47273,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36,62H,4-25,28,30-35,37-61H2,1-3H3/b29-26-,36-27-/t62-/m1/s1",XACQWBZMQPKQFB,GNGQYKFXSA,N,TG(24:0/20:1(11Z)/18:1(9Z)),XACQWBZMQPKQFB-GNGQYKFXSA-N
HMDB47274,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,64H,4-25,28,31-63H2,1-3H3/b29-26-,30-27-/t64-/m1/s1",JHXQLHDBAUUJMA,YCEQVXJPSA,N,TG(24:0/20:1(11Z)/20:1(11Z)),JHXQLHDBAUUJMA-YCEQVXJPSA-N
HMDB47275,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,38,41,47,50,64H,4-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",CXBWHSKCQKSLFK,SVTHOBAPSA,N,"TG(24:0/20:1(11Z)/20:3(5Z,8Z,11Z))",CXBWHSKCQKSLFK-SVTHOBAPSA-N
HMDB47276,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,66H,4-25,28,31-65H2,1-3H3/b29-26-,30-27-/t66-/m1/s1",ASIWZCBXPMZUNS,HDTGZDGOSA,N,TG(24:0/20:1(11Z)/22:1(13Z)),ASIWZCBXPMZUNS-HDTGZDGOSA-N
HMDB47277,1083.018042035,C71H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,68H,4-24,26,29,31-67H2,1-3H3/b28-25-,30-27-/t68-/m1/s1",AIJAXCNUHYWENX,QWLDNJFHSA,N,TG(24:0/20:1(11Z)/24:1(15Z)),AIJAXCNUHYWENX-QWLDNJFHSA-N
HMDB47278,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,62H,4-17,19-20,22-25,28,30-35,37-61H2,1-3H3/b21-18-,29-26-,36-27-/t62-/m1/s1",CARONTFKHIWOBB,DNTNZWHXSA,N,"TG(24:0/20:1(11Z)/18:2(9Z,12Z))",CARONTFKHIWOBB-DNTNZWHXSA-N
HMDB47279,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,42,45,62H,4-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,29-26-,36-27-,45-42-/t62-/m1/s1",BYVWQOVZKQXUND,RJDBVKPPSA,N,"TG(24:0/20:1(11Z)/18:3(6Z,9Z,12Z))",BYVWQOVZKQXUND-RJDBVKPPSA-N
HMDB47280,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,64H,4-16,18-19,21-25,28,31-63H2,1-3H3/b20-17-,29-26-,30-27-/t64-/m1/s1",BKFFDHKSCUDLDC,MBGADOIYSA,N,TG(24:0/20:1(11Z)/20:2n6),BKFFDHKSCUDLDC-MBGADOIYSA-N
HMDB47281,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,38,41,64H,4-16,18-19,21-25,28,31-37,39-40,42-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-/t64-/m1/s1",BZGLRPYJYHXJQN,WZZAKVBQSA,N,TG(24:0/20:1(11Z)/20:3n6),BZGLRPYJYHXJQN-WZZAKVBQSA-N
HMDB47282,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,38,41,47,50,64H,4-16,18-19,21-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",NKXLBSIFWAVMDM,LLUSZMQPSA,N,"TG(24:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",NKXLBSIFWAVMDM-LLUSZMQPSA-N
HMDB47283,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,66H,4-16,18-19,21-25,28,31-65H2,1-3H3/b20-17-,29-26-,30-27-/t66-/m1/s1",XXAMJDJWEMDKLF,VCPGNQSHSA,N,"TG(24:0/20:1(11Z)/22:2(13Z,16Z))",XXAMJDJWEMDKLF-VCPGNQSHSA-N
HMDB47284,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,43,46,66H,4-16,18-19,21-25,28,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,46-43-/t66-/m1/s1",BIITYTAUECPHHS,RTHPWHPASA,N,"TG(24:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",BIITYTAUECPHHS-RTHPWHPASA-N
HMDB47285,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,43,46,52,55,66H,4-16,18-19,21-25,28,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,46-43-,55-52-/t66-/m1/s1",PKYWOWVNRCIOPY,IGTYXIRKSA,N,"TG(24:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PKYWOWVNRCIOPY-IGTYXIRKSA-N
HMDB47286,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-/t62-/m1/s1",YCGLPLHJEHGVNA,YDWNVGIRSA,N,"TG(24:0/20:1(11Z)/18:3(9Z,12Z,15Z))",YCGLPLHJEHGVNA-YDWNVGIRSA-N
HMDB47287,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,42,45,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,45-42-/t62-/m1/s1",BCBMAENAQCARRV,AWQYANJLSA,N,"TG(24:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",BCBMAENAQCARRV-AWQYANJLSA-N
HMDB47288,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,38,41,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-/t64-/m1/s1",WLICJUSRJOLJHL,UGVZLFPXSA,N,"TG(24:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",WLICJUSRJOLJHL-UGVZLFPXSA-N
HMDB47289,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",OSCQMLIXYOJOCE,HTXBQAPWSA,N,"TG(24:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",OSCQMLIXYOJOCE-HTXBQAPWSA-N
HMDB47290,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,43,46,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,46-43-/t66-/m1/s1",LZHAPWRGPHFMHY,JEQSCMHGSA,N,"TG(24:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LZHAPWRGPHFMHY-JEQSCMHGSA-N
HMDB47291,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,43,46,52,55,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,46-43-,55-52-/t66-/m1/s1",KUCBBLCANPOPIH,WMDYXPBASA,N,"TG(24:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KUCBBLCANPOPIH-WMDYXPBASA-N
HMDB47292,986.960527157,C65H126O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26,29,63H,4-25,27-28,30-62H2,1-3H3/b29-26-/t63-/m1/s1",KRMLOSACVMOVMQ,GDMFYWOWSA,N,TG(24:0/20:1(11Z)/o-18:0),KRMLOSACVMOVMQ-GDMFYWOWSA-N
HMDB47293,1081.002391956,C71H132O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,44,47,53,56,68H,4-26,28-29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b30-27-,47-44-,56-53-",IQSPWLZBTGEQNV,GWIWFXNASA,N,"TG(24:0/20:3(5Z,8Z,11Z)/24:0)",IQSPWLZBTGEQNV-GWIWFXNASA-N
HMDB47294,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,35,37,43,46,58H,4-14,16-17,19-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b18-15-,27-25-,37-35-,46-43-/t58-/m1/s1",WZTGTJAUXOIVNF,SKVYXICMSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/14:1(9Z))",WZTGTJAUXOIVNF-SKVYXICMSA-N
HMDB47295,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,36,39,45,48,60H,4-20,22-23,25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b24-21-,28-26-,39-36-,48-45-/t60-/m1/s1",WICCDJPCCTZLBO,SKTYPZPBSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/16:1(9Z))",WICCDJPCCTZLBO-SKTYPZPBSA-N
HMDB47296,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,38,41,47,50,62H,4-20,22-23,25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b24-21-,29-26-,41-38-,50-47-/t62-/m1/s1",SWTHEAXEBZQMJO,RIBLLXGPSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/18:1(11Z))",SWTHEAXEBZQMJO-RIBLLXGPSA-N
HMDB47297,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36,38,41,47,50,62H,4-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",PGZTVTGUGFDHID,XSCCCXPHSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/18:1(9Z))",PGZTVTGUGFDHID-XSCCCXPHSA-N
HMDB47298,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,40,43,49,52,64H,4-25,28,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b29-26-,30-27-,43-40-,52-49-/t64-/m1/s1",RQGOHHOPQPZLDU,HIWYFZQESA,N,"TG(24:0/20:3(5Z,8Z,11Z)/20:1(11Z))",RQGOHHOPQPZLDU-HIWYFZQESA-N
HMDB47299,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,38,40-41,43,47,49-50,52,64H,4-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",BRLLGFOMYQSUEY,WEFDUAATSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",BRLLGFOMYQSUEY-WEFDUAATSA-N
HMDB47300,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,42,45,51,54,66H,4-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b29-26-,30-27-,45-42-,54-51-/t66-/m1/s1",KQELMSXWZZWOSJ,FRQBAXFZSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/22:1(13Z))",KQELMSXWZZWOSJ-FRQBAXFZSA-N
HMDB47301,1078.986741906,C71H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,44,47,53,56,68H,4-24,26,29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b28-25-,30-27-,47-44-,56-53-/t68-/m1/s1",HVYPYDQOAFEWIC,SRQIEBNISA,N,"TG(24:0/20:3(5Z,8Z,11Z)/24:1(15Z))",HVYPYDQOAFEWIC-SRQIEBNISA-N
HMDB47302,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,38,41,47,50,62H,4-17,19-20,22-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b21-18-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",FRJJNOWFSNUVOS,SRTKPISUSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",FRJJNOWFSNUVOS-SRTKPISUSA-N
HMDB47303,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,38,41-42,45,47,50,62H,4-17,19-20,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b21-18-,29-26-,36-27-,41-38-,45-42-,50-47-/t62-/m1/s1",RVCGFSFOBSVAMS,DNOACVJMSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",RVCGFSFOBSVAMS-DNOACVJMSA-N
HMDB47304,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,40,43,49,52,64H,4-16,18-19,21-25,28,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b20-17-,29-26-,30-27-,43-40-,52-49-/t64-/m1/s1",JDBNPAGTUREMET,OIFHDVLQSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/20:2n6)",JDBNPAGTUREMET-OIFHDVLQSA-N
HMDB47305,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,38,40-41,43,49,52,64H,4-16,18-19,21-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,43-40-,52-49-/t64-/m1/s1",YFBGCKSAUJJSRM,DRXFCBAWSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/20:3n6)",YFBGCKSAUJJSRM-DRXFCBAWSA-N
HMDB47306,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-16,18-19,21-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",IQVOORGQBMAPIQ,ADIYBKJGSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",IQVOORGQBMAPIQ-ADIYBKJGSA-N
HMDB47307,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,42,45,51,54,66H,4-16,18-19,21-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b20-17-,29-26-,30-27-,45-42-,54-51-/t66-/m1/s1",IHKGVHRMTBFGIV,OWQNJHCUSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",IHKGVHRMTBFGIV-OWQNJHCUSA-N
HMDB47308,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-16,18-19,21-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-/t66-/m1/s1",HMBCQBMEQJRQQB,VQKNNDCTSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",HMBCQBMEQJRQQB-VQKNNDCTSA-N
HMDB47309,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-16,18-19,21-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",DGQOHDRAYFAGKT,STCINUMKSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DGQOHDRAYFAGKT-STCINUMKSA-N
HMDB47310,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",YKSCIXCGFFDWML,NAKGJQAGSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",YKSCIXCGFFDWML-NAKGJQAGSA-N
HMDB47311,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,38,41-42,45,47,50,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,41-38-,45-42-,50-47-/t62-/m1/s1",QCLXXGRSOLHLNZ,WIWINJJMSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",QCLXXGRSOLHLNZ-WIWINJJMSA-N
HMDB47312,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,38,40-41,43,49,52,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,43-40-,52-49-/t64-/m1/s1",CXJDMXMXLCIUAG,YMICMRIESA,N,"TG(24:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",CXJDMXMXLCIUAG-YMICMRIESA-N
HMDB47313,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",BAJODQAXIXUPQV,OSJOGJCDSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BAJODQAXIXUPQV-OSJOGJCDSA-N
HMDB47314,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-/t66-/m1/s1",RBSOIFMGONHVDV,OOWZNKRESA,N,"TG(24:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RBSOIFMGONHVDV-OOWZNKRESA-N
HMDB47315,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",BOUANXHTVUFQHD,JSODYWRESA,N,"TG(24:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BOUANXHTVUFQHD-JSODYWRESA-N
HMDB47316,982.929227028,C65H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26,29,38,41,47,50,63H,4-25,27-28,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b29-26-,41-38-,50-47-/t63-/m1/s1",FGGJVDIJCGBQMN,HMQKSMCUSA,N,"TG(24:0/20:3(5Z,8Z,11Z)/o-18:0)",FGGJVDIJCGBQMN-HMQKSMCUSA-N
HMDB47317,1113.064992212,C73H140O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,70H,4-26,28-29,31-69H2,1-3H3/b30-27-",XKBYAKAXXUUJTM,IKPAITLHSA,N,TG(24:0/22:1(13Z)/24:0),XKBYAKAXXUUJTM-IKPAITLHSA-N
HMDB47318,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,60H,4-14,16-17,19-24,26,28-59H2,1-3H3/b18-15-,27-25-/t60-/m1/s1",LQUXSTRECRGYRZ,NYMNXKKASA,N,TG(24:0/22:1(13Z)/14:1(9Z)),LQUXSTRECRGYRZ-NYMNXKKASA-N
HMDB47319,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,62H,4-20,22-23,25,27,29-61H2,1-3H3/b24-21-,28-26-/t62-/m1/s1",TUNFIIYFNLVZII,GDLLHPRQSA,N,TG(24:0/22:1(13Z)/16:1(9Z)),TUNFIIYFNLVZII-GDLLHPRQSA-N
HMDB47320,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,64H,4-20,22-23,25,27-28,30-63H2,1-3H3/b24-21-,29-26-/t64-/m1/s1",UUBVGOFSIVPAAZ,FBKDDDTRSA,N,TG(24:0/22:1(13Z)/18:1(11Z)),UUBVGOFSIVPAAZ-FBKDDDTRSA-N
HMDB47321,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,38,64H,4-25,28,30-37,39-63H2,1-3H3/b29-26-,38-27-/t64-/m1/s1",KTOULLCYNVVDAM,VKWOWJGRSA,N,TG(24:0/22:1(13Z)/18:1(9Z)),KTOULLCYNVVDAM-VKWOWJGRSA-N
HMDB47322,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,66H,4-25,28,31-65H2,1-3H3/b29-26-,30-27-/t66-/m1/s1",XOSYWHZGDKFSDI,HDTGZDGOSA,N,TG(24:0/22:1(13Z)/20:1(11Z)),XOSYWHZGDKFSDI-HDTGZDGOSA-N
HMDB47323,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,40,43,49,52,66H,4-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",GDAKMUPZYAAPIZ,ZTAIYGDWSA,N,"TG(24:0/22:1(13Z)/20:3(5Z,8Z,11Z))",GDAKMUPZYAAPIZ-ZTAIYGDWSA-N
HMDB47324,1083.018042035,C71H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,68H,4-25,28,31-67H2,1-3H3/b29-26-,30-27-/t68-/m1/s1",VSTPNVCUODTPMJ,DMTPKEOISA,N,TG(24:0/22:1(13Z)/22:1(13Z)),VSTPNVCUODTPMJ-DMTPKEOISA-N
HMDB47325,1111.049342164,C73H138O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,70H,4-24,26,29,31-69H2,1-3H3/b28-25-,30-27-/t70-/m1/s1",MWFMOQWZOVWTBF,PBTVTXDHSA,N,TG(24:0/22:1(13Z)/24:1(15Z)),MWFMOQWZOVWTBF-PBTVTXDHSA-N
HMDB47326,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,38,64H,4-17,19-20,22-25,28,30-37,39-63H2,1-3H3/b21-18-,29-26-,38-27-/t64-/m1/s1",QABINZIXHRDDGH,WCHXYDRGSA,N,"TG(24:0/22:1(13Z)/18:2(9Z,12Z))",QABINZIXHRDDGH-WCHXYDRGSA-N
HMDB47327,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,38,44,47,64H,4-17,19-20,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b21-18-,29-26-,38-27-,47-44-/t64-/m1/s1",ADUHXNKQEVTGNM,XBFJPUDCSA,N,"TG(24:0/22:1(13Z)/18:3(6Z,9Z,12Z))",ADUHXNKQEVTGNM-XBFJPUDCSA-N
HMDB47328,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,66H,4-17,19-20,22-25,28,31-65H2,1-3H3/b21-18-,29-26-,30-27-/t66-/m1/s1",FNDBTKUPRQLHPJ,LHOHCSIMSA,N,TG(24:0/22:1(13Z)/20:2n6),FNDBTKUPRQLHPJ-LHOHCSIMSA-N
HMDB47329,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,66H,4-17,19-20,22-25,28,31-39,41-42,44-65H2,1-3H3/b21-18-,29-26-,30-27-,43-40-/t66-/m1/s1",XGHLPRGHFNYYAS,MGJGGFKJSA,N,TG(24:0/22:1(13Z)/20:3n6),XGHLPRGHFNYYAS-MGJGGFKJSA-N
HMDB47330,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,49,52,66H,4-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",XQHCUVNKDBOAPB,WXRQIBCTSA,N,"TG(24:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",XQHCUVNKDBOAPB-WXRQIBCTSA-N
HMDB47331,1081.00239197,C71H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,68H,4-16,18-19,21-25,28,31-67H2,1-3H3/b20-17-,29-26-,30-27-/t68-/m1/s1",YSDMGIWOSZZXAO,YUTHXENSSA,N,"TG(24:0/22:1(13Z)/22:2(13Z,16Z))",YSDMGIWOSZZXAO-YUTHXENSSA-N
HMDB47332,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,39,45,48,68H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",KSLJNRWDNFRGMU,LZQBGYHSSA,N,"TG(24:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",KSLJNRWDNFRGMU-LZQBGYHSSA-N
HMDB47333,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,39,45,48,54,57,68H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",RVOBBXQSLUHAFC,QYCXAKNLSA,N,"TG(24:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RVOBBXQSLUHAFC-QYCXAKNLSA-N
HMDB47334,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,38,64H,4-8,10-11,13-17,19-20,22-25,28,30-37,39-63H2,1-3H3/b12-9-,21-18-,29-26-,38-27-/t64-/m1/s1",FKWRUQYFIDEREF,HTMXPWPGSA,N,"TG(24:0/22:1(13Z)/18:3(9Z,12Z,15Z))",FKWRUQYFIDEREF-HTMXPWPGSA-N
HMDB47335,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,38,44,47,64H,4-8,10-11,13-17,19-20,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,29-26-,38-27-,47-44-/t64-/m1/s1",DNFJOBXUXCRHGD,ZOOKIGAWSA,N,"TG(24:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",DNFJOBXUXCRHGD-ZOOKIGAWSA-N
HMDB47336,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,66H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-/t66-/m1/s1",QTXCBJZHCVRPBB,NHQYQYQFSA,N,"TG(24:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",QTXCBJZHCVRPBB-NHQYQYQFSA-N
HMDB47337,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",XAWRWIHQEROTCG,GIQZPSPQSA,N,"TG(24:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XAWRWIHQEROTCG-GIQZPSPQSA-N
HMDB47338,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",BQHSBRWLYUWRFD,ZOEJIFRASA,N,"TG(24:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BQHSBRWLYUWRFD-ZOEJIFRASA-N
HMDB47339,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",SVTXQXZCNZYASQ,HYBSJYSYSA,N,"TG(24:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SVTXQXZCNZYASQ-HYBSJYSYSA-N
HMDB47340,1014.991827286,C67H130O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,65H,4-25,27-28,30-64H2,1-3H3/b29-26-/t65-/m1/s1",XYGOJYPWEJUALQ,FHQWLIJJSA,N,TG(24:0/22:1(13Z)/o-18:0),XYGOJYPWEJUALQ-FHQWLIJJSA-N
HMDB47341,1141.09629234,C75H144O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C75H144O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,72H,4-26,28-29,31-71H2,1-3H3/b30-27-",DMZPWMIHNPAKME,IKPAITLHSA,N,TG(24:0/24:1(15Z)/24:0),DMZPWMIHNPAKME-IKPAITLHSA-N
HMDB47342,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,62H,4-14,16-17,19-24,26,28-61H2,1-3H3/b18-15-,27-25-/t62-/m1/s1",SWUPFIYAIBEOFV,JQHKGBHUSA,N,TG(24:0/24:1(15Z)/14:1(9Z)),SWUPFIYAIBEOFV-JQHKGBHUSA-N
HMDB47343,1026.955441777,C67H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,64H,4-20,22-23,25,27,29-63H2,1-3H3/b24-21-,28-26-/t64-/m1/s1",JWTUJDCTGSKONL,PLNVNNMISA,N,TG(24:0/24:1(15Z)/16:1(9Z)),JWTUJDCTGSKONL-PLNVNNMISA-N
HMDB47344,1054.986741906,C69H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,66H,4-20,22-23,25,27-28,30-65H2,1-3H3/b24-21-,29-26-/t66-/m1/s1",XCCCWKGXHLUFHQ,NKVYJNNJSA,N,TG(24:0/24:1(15Z)/18:1(11Z)),XCCCWKGXHLUFHQ-NKVYJNNJSA-N
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HMDB47346,1083.018042035,C71H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,68H,4-25,28,31-67H2,1-3H3/b29-26-,30-27-/t68-/m1/s1",ZQDFXMNRNMIKFQ,DMTPKEOISA,N,TG(24:0/24:1(15Z)/20:1(11Z)),ZQDFXMNRNMIKFQ-DMTPKEOISA-N
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HMDB47365,1054.986741906,C69H130O6,[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,40,66H,4-17,19-20,22-26,28-39,41-65H2,1-3H3/b21-18-,40-27-",UODATYSWMOTXEG,IEMJZMISSA,N,"TG(24:0/18:2(9Z,12Z)/24:0)",UODATYSWMOTXEG-IEMJZMISSA-N
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HMDB47367,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,33,58H,4-16,18-19,22-23,25,27-32,34-57H2,1-3H3/b20-17-,24-21-,33-26-/t58-/m1/s1",UJXQJJSLQLGCCL,KQSPMYCLSA,N,"TG(24:0/18:2(9Z,12Z)/16:1(9Z))",UJXQJJSLQLGCCL-KQSPMYCLSA-N
HMDB47368,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,35,60H,4-17,19,22,24-26,28-34,36-59H2,1-3H3/b21-18-,23-20-,35-27-/t60-/m1/s1",IYSLCAKQDCKAPA,SLWPVJLKSA,N,"TG(24:0/18:2(9Z,12Z)/18:1(11Z))",IYSLCAKQDCKAPA-SLWPVJLKSA-N
HMDB47369,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,26-27,34-35,60H,4-17,19-20,22-25,28-33,36-59H2,1-3H3/b21-18-,34-26-,35-27-/t60-/m1/s1",MDAOMPFQZJLFBG,HOJSXSTESA,N,"TG(24:0/18:2(9Z,12Z)/18:1(9Z))",MDAOMPFQZJLFBG-HOJSXSTESA-N
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HMDB47371,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36-37,39,45,48,62H,4-17,19-20,22-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b21-18-,29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",OJXKPWMOOYXHPO,RZWMJSNNSA,N,"TG(24:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",OJXKPWMOOYXHPO-RZWMJSNNSA-N
HMDB47372,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,38,64H,4-17,19-20,22-25,28,30-37,39-63H2,1-3H3/b21-18-,29-26-,38-27-/t64-/m1/s1",IWTCUJONQZNGQK,WCHXYDRGSA,N,"TG(24:0/18:2(9Z,12Z)/22:1(13Z))",IWTCUJONQZNGQK-WCHXYDRGSA-N
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HMDB47376,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,62H,4-16,19,22-25,28,30-35,37-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-/t62-/m1/s1",USMZHCWRCWBILP,AKUKLKJESA,N,"TG(24:0/18:2(9Z,12Z)/20:2n6)",USMZHCWRCWBILP-AKUKLKJESA-N
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HMDB47383,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,34-35,40,43,60H,4-7,9-10,12-16,19,22-25,28-33,36-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,43-40-/t60-/m1/s1",AQUHVGHTBSILQP,FKZIQONFSA,N,"TG(24:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",AQUHVGHTBSILQP-FKZIQONFSA-N
HMDB47384,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,39,62H,4-7,9-10,12-16,19,22-25,28,30-35,38,40-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,39-37-/t62-/m1/s1",DWPGVKOMANCLKI,OJENZEBCSA,N,"TG(24:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",DWPGVKOMANCLKI-OJENZEBCSA-N
HMDB47385,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,39,45,48,62H,4-7,9-10,12-16,19,22-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",PRJUXFPJPPGQBM,FXDNFAECSA,N,"TG(24:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PRJUXFPJPPGQBM-FXDNFAECSA-N
HMDB47386,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,41,44,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-/t64-/m1/s1",XVTOPASPEMRKCZ,JPIDIEOASA,N,"TG(24:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XVTOPASPEMRKCZ-JPIDIEOASA-N
HMDB47387,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,41,44,50,53,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,53-50-/t64-/m1/s1",YWGGZQNPZHPRSF,GYMCDJSHSA,N,"TG(24:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YWGGZQNPZHPRSF-GYMCDJSHSA-N
HMDB47388,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h18,21,27,35,61H,4-17,19-20,22-26,28-34,36-60H2,1-3H3/b21-18-,35-27-/t61-/m1/s1",RIVUGQBNZQXMMO,RVEZQVEJSA,N,"TG(24:0/18:2(9Z,12Z)/o-18:0)",RIVUGQBNZQXMMO-RVEZQVEJSA-N
HMDB47389,1052.971091828,C69H128O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,40,48,51,66H,4-17,19-20,22-26,28-39,41-47,49-50,52-65H2,1-3H3/b21-18-,40-27-,51-48-",LDDKRHYENYMILI,SFQJWDCVSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/24:0)",LDDKRHYENYMILI-SFQJWDCVSA-N
HMDB47390,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,32,38,41,56H,4-14,16,19,21-24,26-31,33-37,39-40,42-55H2,1-3H3/b18-15-,20-17-,32-25-,41-38-/t56-/m1/s1",CHEPUDDRNPUOIY,ZVQHBMQSSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/14:1(9Z))",CHEPUDDRNPUOIY-ZVQHBMQSSA-N
HMDB47391,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,33,40,43,58H,4-16,18-19,22-23,25,27-32,34-39,41-42,44-57H2,1-3H3/b20-17-,24-21-,33-26-,43-40-/t58-/m1/s1",MLKVMZHDVPFECT,VCPUAHPWSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/16:1(9Z))",MLKVMZHDVPFECT-VCPUAHPWSA-N
HMDB47392,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,35,42,45,60H,4-17,19,22,24-26,28-34,36-41,43-44,46-59H2,1-3H3/b21-18-,23-20-,35-27-,45-42-/t60-/m1/s1",KZYYSJQGDAJSBI,IPBIKHCZSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/18:1(11Z))",KZYYSJQGDAJSBI-IPBIKHCZSA-N
HMDB47393,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,26-27,34-35,42,45,60H,4-17,19-20,22-25,28-33,36-41,43-44,46-59H2,1-3H3/b21-18-,34-26-,35-27-,45-42-/t60-/m1/s1",JZYOAWXKTIAAOD,FJRSCSTLSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/18:1(9Z))",JZYOAWXKTIAAOD-FJRSCSTLSA-N
HMDB47394,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,44,47,62H,4-17,19-20,22-25,28,30-35,37-43,45-46,48-61H2,1-3H3/b21-18-,29-26-,36-27-,47-44-/t62-/m1/s1",SNHSKLRTNRNKJD,ANXLBYNLSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/20:1(11Z))",SNHSKLRTNRNKJD-ANXLBYNLSA-N
HMDB47395,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36-37,39,44-45,47-48,62H,4-17,19-20,22-25,28,30-35,38,40-43,46,49-61H2,1-3H3/b21-18-,29-26-,36-27-,39-37-,47-44-,48-45-/t62-/m1/s1",MBQSHRPRZPLCFD,MLFISVDZSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",MBQSHRPRZPLCFD-MLFISVDZSA-N
HMDB47396,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,38,46,49,64H,4-17,19-20,22-25,28,30-37,39-45,47-48,50-63H2,1-3H3/b21-18-,29-26-,38-27-,49-46-/t64-/m1/s1",WPZXRMMYDWKAGQ,SRFZTBMFSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/22:1(13Z))",WPZXRMMYDWKAGQ-SRFZTBMFSA-N
HMDB47397,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,40,48,51,66H,4-17,19-20,22-24,26,29-39,41-47,49-50,52-65H2,1-3H3/b21-18-,28-25-,40-27-,51-48-/t66-/m1/s1",NQZGIPVDCUWQMA,WWMVDFHISA,N,"TG(24:0/18:3(6Z,9Z,12Z)/24:1(15Z))",NQZGIPVDCUWQMA-WWMVDFHISA-N
HMDB47398,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,34-35,42,45,60H,4-16,19,22-25,28-33,36-41,43-44,46-59H2,1-3H3/b20-17-,21-18-,34-26-,35-27-,45-42-/t60-/m1/s1",JFSBSLVFROLCLU,DSVQNSBCSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",JFSBSLVFROLCLU-DSVQNSBCSA-N
HMDB47399,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,34-35,40,42-43,45,60H,4-16,19,22-25,28-33,36-39,41,44,46-59H2,1-3H3/b20-17-,21-18-,34-26-,35-27-,43-40-,45-42-/t60-/m1/s1",MOFDKHZXLRZVOO,CGGKSPRESA,N,"TG(24:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",MOFDKHZXLRZVOO-CGGKSPRESA-N
HMDB47400,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,44,47,62H,4-16,19,22-25,28,30-35,37-43,45-46,48-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,47-44-/t62-/m1/s1",XGKJUWSMWNBPLU,AODONFBCSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/20:2n6)",XGKJUWSMWNBPLU-AODONFBCSA-N
HMDB47401,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36-37,39,44,47,62H,4-16,19,22-25,28,30-35,38,40-43,45-46,48-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,39-37-,47-44-/t62-/m1/s1",XZAXQVVHTAAQAY,YMLSOOMZSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/20:3n6)",XZAXQVVHTAAQAY-YMLSOOMZSA-N
HMDB47402,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36-37,39,44-45,47-48,62H,4-16,19,22-25,28,30-35,38,40-43,46,49-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,39-37-,47-44-,48-45-/t62-/m1/s1",NNNFRYXBCBELFQ,DCNHKXCCSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",NNNFRYXBCBELFQ-DCNHKXCCSA-N
HMDB47403,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,38,46,49,64H,4-16,19,22-25,28,30-37,39-45,47-48,50-63H2,1-3H3/b20-17-,21-18-,29-26-,38-27-,49-46-/t64-/m1/s1",RQHJGNFMZKTNEY,MYMLEXPDSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",RQHJGNFMZKTNEY-MYMLEXPDSA-N
HMDB47404,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,38,41,44,46,49,64H,4-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-/t64-/m1/s1",CYIHHJGOBUEPMY,LBLUILFRSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",CYIHHJGOBUEPMY-LBLUILFRSA-N
HMDB47405,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,38,41,44,46,49-50,53,64H,4-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-/t64-/m1/s1",SQNDEDHHJCXZQG,GTRAKGGGSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SQNDEDHHJCXZQG-GTRAKGGGSA-N
HMDB47406,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,34-35,42,45,60H,4-7,9-10,12-16,19,22-25,28-33,36-41,43-44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,45-42-/t60-/m1/s1",GSINXERSHYXLOO,JKDVKRPSSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",GSINXERSHYXLOO-JKDVKRPSSA-N
HMDB47407,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,34-35,40,42-43,45,60H,4-7,9-10,12-16,19,22-25,28-33,36-39,41,44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,43-40-,45-42-/t60-/m1/s1",APMDPRLUHBFRLX,UUULRPEQSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",APMDPRLUHBFRLX-UUULRPEQSA-N
HMDB47408,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,39,44,47,62H,4-7,9-10,12-16,19,22-25,28,30-35,38,40-43,45-46,48-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,39-37-,47-44-/t62-/m1/s1",CBRLIJSXKPHLHC,FCZJTXFDSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",CBRLIJSXKPHLHC-FCZJTXFDSA-N
HMDB47409,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,39,44-45,47-48,62H,4-7,9-10,12-16,19,22-25,28,30-35,38,40-43,46,49-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,39-37-,47-44-,48-45-/t62-/m1/s1",XKNHRHXJJCZVQQ,QJRRTTJYSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XKNHRHXJJCZVQQ-QJRRTTJYSA-N
HMDB47410,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,41,44,46,49,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-/t64-/m1/s1",MXKBILFYDZILDC,OXYLDCLYSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MXKBILFYDZILDC-OXYLDCLYSA-N
HMDB47411,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,41,44,46,49-50,53,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-/t64-/m1/s1",MQGNVALFXBTBFC,LMIITTBFSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MQGNVALFXBTBFC-LMIITTBFSA-N
HMDB47412,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h18,21,27,35,42,45,61H,4-17,19-20,22-26,28-34,36-41,43-44,46-60H2,1-3H3/b21-18-,35-27-,45-42-/t61-/m1/s1",BTMVDFIHILPGTB,SNWIDWGDSA,N,"TG(24:0/18:3(6Z,9Z,12Z)/o-18:0)",BTMVDFIHILPGTB-SNWIDWGDSA-N
HMDB47413,1083.018042035,C71H134O6,[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,68H,4-17,19-20,22-26,28-29,31-67H2,1-3H3/b21-18-,30-27-",WXTOAYRGDQADRY,QYIMKBBWSA,N,TG(24:0/20:2n6/24:0),WXTOAYRGDQADRY-QYIMKBBWSA-N
HMDB47414,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,58H,4-14,16,19,21-24,26,28-57H2,1-3H3/b18-15-,20-17-,27-25-/t58-/m1/s1",JTAZFPZUAINKAO,QUIYVIRQSA,N,TG(24:0/20:2n6/14:1(9Z)),JTAZFPZUAINKAO-QUIYVIRQSA-N
HMDB47415,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,60H,4-16,18-19,22-23,25,27,29-59H2,1-3H3/b20-17-,24-21-,28-26-/t60-/m1/s1",XKLBAGAZJABNLI,XQVSIXSYSA,N,TG(24:0/20:2n6/16:1(9Z)),XKLBAGAZJABNLI-XQVSIXSYSA-N
HMDB47416,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,62H,4-16,18-19,22-23,25,27-28,30-61H2,1-3H3/b20-17-,24-21-,29-26-/t62-/m1/s1",PBXPRUFDZXDGFW,PMNSJIPLSA,N,TG(24:0/20:2n6/18:1(11Z)),PBXPRUFDZXDGFW-PMNSJIPLSA-N
HMDB47417,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36,62H,4-16,18-19,21-25,28,30-35,37-61H2,1-3H3/b20-17-,29-26-,36-27-/t62-/m1/s1",CXGPWNDKIGJMPE,GLCONDBNSA,N,TG(24:0/20:2n6/18:1(9Z)),CXGPWNDKIGJMPE-GLCONDBNSA-N
HMDB47418,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,64H,4-17,19-20,22-25,28,31-63H2,1-3H3/b21-18-,29-26-,30-27-/t64-/m1/s1",SMQXDXAJJLBACP,CTSCVJMLSA,N,TG(24:0/20:2n6/20:1(11Z)),SMQXDXAJJLBACP-CTSCVJMLSA-N
HMDB47419,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,41,47,50,64H,4-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b21-18-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",WWIVABGIEVLUKK,DVKDCLNWSA,N,"TG(24:0/20:2n6/20:3(5Z,8Z,11Z))",WWIVABGIEVLUKK-DVKDCLNWSA-N
HMDB47420,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,66H,4-17,19-20,22-25,28,31-65H2,1-3H3/b21-18-,29-26-,30-27-/t66-/m1/s1",BQWUPDPBSBZJJT,LHOHCSIMSA,N,TG(24:0/20:2n6/22:1(13Z)),BQWUPDPBSBZJJT-LHOHCSIMSA-N
HMDB47421,1081.00239197,C71H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,68H,4-17,19-20,22-24,26,29,31-67H2,1-3H3/b21-18-,28-25-,30-27-/t68-/m1/s1",ZQOIZQMKGQZOOZ,KLPDHWSGSA,N,TG(24:0/20:2n6/24:1(15Z)),ZQOIZQMKGQZOOZ-KLPDHWSGSA-N
HMDB47422,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,62H,4-16,19,22-25,28,30-35,37-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-/t62-/m1/s1",UWJSBXQNXNTYPP,AKUKLKJESA,N,"TG(24:0/20:2n6/18:2(9Z,12Z))",UWJSBXQNXNTYPP-AKUKLKJESA-N
HMDB47423,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,42,45,62H,4-16,19,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,45-42-/t62-/m1/s1",ZXLZDPRNKCEQLS,XJKHKBQUSA,N,"TG(24:0/20:2n6/18:3(6Z,9Z,12Z))",ZXLZDPRNKCEQLS-XJKHKBQUSA-N
HMDB47424,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,64H,4-16,19,22-25,28,31-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-/t64-/m1/s1",CEYFTUYARSHKIK,WFPJBSCESA,N,TG(24:0/20:2n6/20:2n6),CEYFTUYARSHKIK-WFPJBSCESA-N
HMDB47425,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,41,64H,4-16,19,22-25,28,31-37,39-40,42-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-/t64-/m1/s1",VGSHXRNIKVHKAI,BRGMQILDSA,N,TG(24:0/20:2n6/20:3n6),VGSHXRNIKVHKAI-BRGMQILDSA-N
HMDB47426,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,41,47,50,64H,4-16,19,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",JYJRLPIHJXHEDN,JXMGTDGLSA,N,"TG(24:0/20:2n6/20:4(5Z,8Z,11Z,14Z))",JYJRLPIHJXHEDN-JXMGTDGLSA-N
HMDB47427,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,66H,4-16,19,22-25,28,31-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-/t66-/m1/s1",GAGLJHXMFRHSSR,UECALPQRSA,N,"TG(24:0/20:2n6/22:2(13Z,16Z))",GAGLJHXMFRHSSR-UECALPQRSA-N
HMDB47428,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,43,46,66H,4-16,19,22-25,28,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,46-43-/t66-/m1/s1",JNRSTIPSZOXTJK,ILJCAXQUSA,N,"TG(24:0/20:2n6/22:4(7Z,10Z,13Z,16Z))",JNRSTIPSZOXTJK-ILJCAXQUSA-N
HMDB47429,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,43,46,52,55,66H,4-16,19,22-25,28,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,46-43-,55-52-/t66-/m1/s1",RDBWERNOCIEDEY,ILTYXLNKSA,N,"TG(24:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",RDBWERNOCIEDEY-ILTYXLNKSA-N
HMDB47430,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-/t62-/m1/s1",CLOPCCKLUYMNAO,DJZXHQQYSA,N,"TG(24:0/20:2n6/18:3(9Z,12Z,15Z))",CLOPCCKLUYMNAO-DJZXHQQYSA-N
HMDB47431,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,42,45,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,45-42-/t62-/m1/s1",RNQPMRVDSKJVIY,FXPZSYMKSA,N,"TG(24:0/20:2n6/18:4(6Z,9Z,12Z,15Z))",RNQPMRVDSKJVIY-FXPZSYMKSA-N
HMDB47432,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,38,41,64H,4-7,9-10,12-16,19,22-25,28,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-/t64-/m1/s1",AWHDRNIJNSTGLN,HNCQBEKYSA,N,"TG(24:0/20:2n6/20:4(8Z,11Z,14Z,17Z))",AWHDRNIJNSTGLN-HNCQBEKYSA-N
HMDB47433,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,38,41,47,50,64H,4-7,9-10,12-16,19,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",OIBJICSQSWSBMR,JYYNHFOJSA,N,"TG(24:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",OIBJICSQSWSBMR-JYYNHFOJSA-N
HMDB47434,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,43,46,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,46-43-/t66-/m1/s1",HCCHWGIMDQAOFK,GBTXZOMDSA,N,"TG(24:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",HCCHWGIMDQAOFK-GBTXZOMDSA-N
HMDB47435,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,43,46,52,55,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,46-43-,55-52-/t66-/m1/s1",CGOQVLMTTFYIOM,RKMSRRMFSA,N,"TG(24:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CGOQVLMTTFYIOM-RKMSRRMFSA-N
HMDB47436,984.944877093,C65H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,63H,4-16,18-19,21-25,27-28,30-62H2,1-3H3/b20-17-,29-26-/t63-/m1/s1",MZPBUNDIANPQNP,URTCAEPCSA,N,TG(24:0/20:2n6/o-18:0),MZPBUNDIANPQNP-URTCAEPCSA-N
HMDB47437,1081.002391956,C71H132O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,44,47,68H,4-17,19-20,22-26,28-29,31-43,45-46,48-67H2,1-3H3/b21-18-,30-27-,47-44-",XHXWCOUOOPXTCP,SKMAIXTGSA,N,TG(24:0/20:3n6/24:0),XHXWCOUOOPXTCP-SKMAIXTGSA-N
HMDB47438,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,35,37,58H,4-14,16,19,21-24,26,28-34,36,38-57H2,1-3H3/b18-15-,20-17-,27-25-,37-35-/t58-/m1/s1",XGRHXRCXVVXNRR,KDGHHESYSA,N,TG(24:0/20:3n6/14:1(9Z)),XGRHXRCXVVXNRR-KDGHHESYSA-N
HMDB47439,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,36,39,60H,4-16,18-19,22-23,25,27,29-35,37-38,40-59H2,1-3H3/b20-17-,24-21-,28-26-,39-36-/t60-/m1/s1",JPJMXAFPVUPHGK,UPCHYJRJSA,N,TG(24:0/20:3n6/16:1(9Z)),JPJMXAFPVUPHGK-UPCHYJRJSA-N
HMDB47440,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,38,41,62H,4-16,18-19,22-23,25,27-28,30-37,39-40,42-61H2,1-3H3/b20-17-,24-21-,29-26-,41-38-/t62-/m1/s1",YBGJSKVUMSZGII,BCKLAZOFSA,N,TG(24:0/20:3n6/18:1(11Z)),YBGJSKVUMSZGII-BCKLAZOFSA-N
HMDB47441,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36,38,41,62H,4-16,18-19,21-25,28,30-35,37,39-40,42-61H2,1-3H3/b20-17-,29-26-,36-27-,41-38-/t62-/m1/s1",PCADIUWZJBPTTH,FLANXRPKSA,N,TG(24:0/20:3n6/18:1(9Z)),PCADIUWZJBPTTH-FLANXRPKSA-N
HMDB47442,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,64H,4-17,19-20,22-25,28,31-39,41-42,44-63H2,1-3H3/b21-18-,29-26-,30-27-,43-40-/t64-/m1/s1",MIUSNVUKZMCUCW,DHQOBVMKSA,N,TG(24:0/20:3n6/20:1(11Z)),MIUSNVUKZMCUCW-DHQOBVMKSA-N
HMDB47443,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,40-41,43,47,50,64H,4-17,19-20,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b21-18-,29-26-,30-27-,41-38-,43-40-,50-47-/t64-/m1/s1",IVZVJSZGMSLPOT,NEZHOKSGSA,N,"TG(24:0/20:3n6/20:3(5Z,8Z,11Z))",IVZVJSZGMSLPOT-NEZHOKSGSA-N
HMDB47444,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,42,45,66H,4-17,19-20,22-25,28,31-41,43-44,46-65H2,1-3H3/b21-18-,29-26-,30-27-,45-42-/t66-/m1/s1",BGNUWBBZENXRBO,GWHQYSOTSA,N,TG(24:0/20:3n6/22:1(13Z)),BGNUWBBZENXRBO-GWHQYSOTSA-N
HMDB47445,1078.986741906,C71H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,44,47,68H,4-17,19-20,22-24,26,29,31-43,45-46,48-67H2,1-3H3/b21-18-,28-25-,30-27-,47-44-/t68-/m1/s1",IYCHDMKDVXJROC,YFTMWLISSA,N,TG(24:0/20:3n6/24:1(15Z)),IYCHDMKDVXJROC-YFTMWLISSA-N
HMDB47446,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,38,41,62H,4-16,19,22-25,28,30-35,37,39-40,42-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,41-38-/t62-/m1/s1",OOTCKHSSQUTOEZ,SUAVLCRCSA,N,"TG(24:0/20:3n6/18:2(9Z,12Z))",OOTCKHSSQUTOEZ-SUAVLCRCSA-N
HMDB47447,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,38,41-42,45,62H,4-16,19,22-25,28,30-35,37,39-40,43-44,46-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,41-38-,45-42-/t62-/m1/s1",ZJMLGZNXCDMBTG,UQGNIUOLSA,N,"TG(24:0/20:3n6/18:3(6Z,9Z,12Z))",ZJMLGZNXCDMBTG-UQGNIUOLSA-N
HMDB47448,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,40,43,64H,4-16,19,22-25,28,31-39,41-42,44-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,43-40-/t64-/m1/s1",OYBQRCCQXPRDST,ULPHLEHHSA,N,TG(24:0/20:3n6/20:2n6),OYBQRCCQXPRDST-ULPHLEHHSA-N
HMDB47449,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,40-41,43,64H,4-16,19,22-25,28,31-37,39,42,44-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,43-40-/t64-/m1/s1",HSAIQBDPCUBQTN,QTPAPQEVSA,N,TG(24:0/20:3n6/20:3n6),HSAIQBDPCUBQTN-QTPAPQEVSA-N
HMDB47450,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,40-41,43,47,50,64H,4-16,19,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-/t64-/m1/s1",WQEJPMAJTPTFTK,KJCUPKHMSA,N,"TG(24:0/20:3n6/20:4(5Z,8Z,11Z,14Z))",WQEJPMAJTPTFTK-KJCUPKHMSA-N
HMDB47451,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,42,45,66H,4-16,19,22-25,28,31-41,43-44,46-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,45-42-/t66-/m1/s1",JEDSUVVNJONFGA,NOBNHUBHSA,N,"TG(24:0/20:3n6/22:2(13Z,16Z))",JEDSUVVNJONFGA-NOBNHUBHSA-N
HMDB47452,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,42-43,45-46,66H,4-16,19,22-25,28,31-34,36-37,39-41,44,47-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-/t66-/m1/s1",UTBUEUBHBPACTI,WWUPRWCKSA,N,"TG(24:0/20:3n6/22:4(7Z,10Z,13Z,16Z))",UTBUEUBHBPACTI-WWUPRWCKSA-N
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HMDB47454,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,38,41,62H,4-8,10-11,13-16,19,22-25,28,30-35,37,39-40,42-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,41-38-/t62-/m1/s1",SURMLSIOCZNBED,YXJGMJHSSA,N,"TG(24:0/20:3n6/18:3(9Z,12Z,15Z))",SURMLSIOCZNBED-YXJGMJHSSA-N
HMDB47455,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,38,41-42,45,62H,4-8,10-11,13-16,19,22-25,28,30-35,37,39-40,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-/t62-/m1/s1",ASRBSISCDAWQCM,BDKPCCNISA,N,"TG(24:0/20:3n6/18:4(6Z,9Z,12Z,15Z))",ASRBSISCDAWQCM-BDKPCCNISA-N
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HMDB47457,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,38,40-41,43,47,50,64H,4-7,9-10,12-16,19,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-/t64-/m1/s1",KHGAEFDDLRFHPE,RMLOIFLWSA,N,"TG(24:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",KHGAEFDDLRFHPE-RMLOIFLWSA-N
HMDB47458,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,42-43,45-46,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-41,44,47-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-/t66-/m1/s1",ZEFZMWQKVIGWJM,UVUQHPNJSA,N,"TG(24:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",ZEFZMWQKVIGWJM-UVUQHPNJSA-N
HMDB47459,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,42-43,45-46,52,55,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-/t66-/m1/s1",PJHHUGNGXAUFKO,CMBMXGKXSA,N,"TG(24:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PJHHUGNGXAUFKO-CMBMXGKXSA-N
HMDB47460,982.929227028,C65H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,63H,4-16,18-19,21-25,27-28,30-37,39-40,42-62H2,1-3H3/b20-17-,29-26-,41-38-/t63-/m1/s1",RBZXXVSHMFDVMU,XGIPSZLKSA,N,TG(24:0/20:3n6/o-18:0),RBZXXVSHMFDVMU-XGIPSZLKSA-N
HMDB47461,1078.986741892,C71H130O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,44,47,53,56,68H,4-17,19-20,22-26,28-29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b21-18-,30-27-,47-44-,56-53-",ZOORSJANVIRRQZ,IIYSTXCBSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/24:0)",ZOORSJANVIRRQZ-IIYSTXCBSA-N
HMDB47462,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,35,37,43,46,58H,4-14,16,19,21-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b18-15-,20-17-,27-25-,37-35-,46-43-/t58-/m1/s1",IGVSQUPOIBXUAC,FOWHAZRJSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))",IGVSQUPOIBXUAC-FOWHAZRJSA-N
HMDB47463,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,36,39,45,48,60H,4-16,18-19,22-23,25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,24-21-,28-26-,39-36-,48-45-/t60-/m1/s1",LWZVEKQNTUNOHB,MTWIKBTCSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",LWZVEKQNTUNOHB-MTWIKBTCSA-N
HMDB47464,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,38,41,47,50,62H,4-16,18-19,22-23,25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,24-21-,29-26-,41-38-,50-47-/t62-/m1/s1",CNOVJGHDOIADPX,SUOMTSCCSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",CNOVJGHDOIADPX-SUOMTSCCSA-N
HMDB47465,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36,38,41,47,50,62H,4-16,18-19,21-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",UMGJIMYQCWOTBK,KFLJPQCXSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",UMGJIMYQCWOTBK-KFLJPQCXSA-N
HMDB47466,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,49,52,64H,4-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,29-26-,30-27-,43-40-,52-49-/t64-/m1/s1",ZFZLZAPQFUYBMU,DBQIUBAJSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",ZFZLZAPQFUYBMU-DBQIUBAJSA-N
HMDB47467,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-17,19-20,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",FZDCAVGUFOFYMR,XBWXTKLQSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",FZDCAVGUFOFYMR-XBWXTKLQSA-N
HMDB47468,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,42,45,51,54,66H,4-17,19-20,22-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b21-18-,29-26-,30-27-,45-42-,54-51-/t66-/m1/s1",NNMHLGJBPBOHBL,MXFPPDMBSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",NNMHLGJBPBOHBL-MXFPPDMBSA-N
HMDB47469,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,44,47,53,56,68H,4-17,19-20,22-24,26,29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b21-18-,28-25-,30-27-,47-44-,56-53-/t68-/m1/s1",BGHYHTBJEFKANY,YXSYVBRUSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",BGHYHTBJEFKANY-YXSYVBRUSA-N
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HMDB47471,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,38,41-42,45,47,50,62H,4-16,19,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,41-38-,45-42-,50-47-/t62-/m1/s1",QNUDDYZOUKHKGD,OGHZPVQASA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",QNUDDYZOUKHKGD-OGHZPVQASA-N
HMDB47472,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,40,43,49,52,64H,4-16,19,22-25,28,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,43-40-,52-49-/t64-/m1/s1",UPSATPGYQBCPET,SCRZTBQWSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)",UPSATPGYQBCPET-SCRZTBQWSA-N
HMDB47473,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,40-41,43,49,52,64H,4-16,19,22-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,52-49-/t64-/m1/s1",HVCSKWHUBOLBIW,SQJOCXQSSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)",HVCSKWHUBOLBIW-SQJOCXQSSA-N
HMDB47474,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-16,19,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",JCMXXOJDABEYTD,KEHFMGMESA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",JCMXXOJDABEYTD-KEHFMGMESA-N
HMDB47475,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,42,45,51,54,66H,4-16,19,22-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,45-42-,54-51-/t66-/m1/s1",ZVTPRRAJCJYXHO,XDARHOIYSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",ZVTPRRAJCJYXHO-XDARHOIYSA-N
HMDB47476,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-16,19,22-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-/t66-/m1/s1",NJPXVKKQYICUDT,WYFZDLNASA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",NJPXVKKQYICUDT-WYFZDLNASA-N
HMDB47477,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-16,19,22-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",DVKYQORAYSOLEI,ORBNROKGSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DVKYQORAYSOLEI-ORBNROKGSA-N
HMDB47478,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,38,41,47,50,62H,4-8,10-11,13-16,19,22-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",UTPWGJFDNQIDCL,WAUUNJQLSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",UTPWGJFDNQIDCL-WAUUNJQLSA-N
HMDB47479,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,38,41-42,45,47,50,62H,4-8,10-11,13-16,19,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-,50-47-/t62-/m1/s1",GRAKNACYRWLURP,HHBDATFCSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",GRAKNACYRWLURP-HHBDATFCSA-N
HMDB47480,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,38,40-41,43,49,52,64H,4-7,9-10,12-16,19,22-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,52-49-/t64-/m1/s1",MPFIFFGXMOHNRO,YJQPIUAXSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",MPFIFFGXMOHNRO-YJQPIUAXSA-N
HMDB47481,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-7,9-10,12-16,19,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",FXNRFBOSFPEIRA,MDOXGMPZSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FXNRFBOSFPEIRA-MDOXGMPZSA-N
HMDB47482,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-/t66-/m1/s1",HUQJMRFNTRIMKN,MIDZZMFJSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HUQJMRFNTRIMKN-MIDZZMFJSA-N
HMDB47483,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",HITQPOMYDGDGRO,HBUNPKGPSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HITQPOMYDGDGRO-HBUNPKGPSA-N
HMDB47484,980.913576964,C65H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,47,50,63H,4-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b20-17-,29-26-,41-38-,50-47-/t63-/m1/s1",VEOGDTIXYCAZJV,ZKVAZUECSA,N,"TG(24:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)",VEOGDTIXYCAZJV-ZKVAZUECSA-N
HMDB47485,1111.049342148,C73H138O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,70H,4-17,19-20,22-26,28-29,31-69H2,1-3H3/b21-18-,30-27-",KZOKMCHOGDVJLO,QYIMKBBWSA,N,"TG(24:0/22:2(13Z,16Z)/24:0)",KZOKMCHOGDVJLO-QYIMKBBWSA-N
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HMDB47488,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,64H,4-16,18-19,22-23,25,27-28,30-63H2,1-3H3/b20-17-,24-21-,29-26-/t64-/m1/s1",BDORGHCWCOYQPT,RTUIAVRWSA,N,"TG(24:0/22:2(13Z,16Z)/18:1(11Z))",BDORGHCWCOYQPT-RTUIAVRWSA-N
HMDB47489,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,38,64H,4-16,18-19,21-25,28,30-37,39-63H2,1-3H3/b20-17-,29-26-,38-27-/t64-/m1/s1",QOLMXNGGGSFGNH,XUUBUSCKSA,N,"TG(24:0/22:2(13Z,16Z)/18:1(9Z))",QOLMXNGGGSFGNH-XUUBUSCKSA-N
HMDB47490,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,66H,4-16,18-19,21-25,28,31-65H2,1-3H3/b20-17-,29-26-,30-27-/t66-/m1/s1",VXRCEYHOXMRDID,VCPGNQSHSA,N,"TG(24:0/22:2(13Z,16Z)/20:1(11Z))",VXRCEYHOXMRDID-VCPGNQSHSA-N
HMDB47491,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,40,43,49,52,66H,4-16,18-19,21-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",NUZXWULGVZMPAV,SGVQOHRISA,N,"TG(24:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",NUZXWULGVZMPAV-SGVQOHRISA-N
HMDB47492,1081.00239197,C71H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,68H,4-17,19-20,22-25,28,31-67H2,1-3H3/b21-18-,29-26-,30-27-/t68-/m1/s1",RKJJTKDFKZFMRG,AJYDFLSUSA,N,"TG(24:0/22:2(13Z,16Z)/22:1(13Z))",RKJJTKDFKZFMRG-AJYDFLSUSA-N
HMDB47493,1109.033692099,C73H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C73H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,70H,4-17,19-20,22-24,26,29,31-69H2,1-3H3/b21-18-,28-25-,30-27-/t70-/m1/s1",RVOVXMWRGAPRSE,IIQFNESESA,N,"TG(24:0/22:2(13Z,16Z)/24:1(15Z))",RVOVXMWRGAPRSE-IIQFNESESA-N
HMDB47494,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,38,64H,4-16,19,22-25,28,30-37,39-63H2,1-3H3/b20-17-,21-18-,29-26-,38-27-/t64-/m1/s1",SQRGAQLVZJGVPR,NCUPFIHHSA,N,"TG(24:0/22:2(13Z,16Z)/18:2(9Z,12Z))",SQRGAQLVZJGVPR-NCUPFIHHSA-N
HMDB47495,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,38,44,47,64H,4-16,19,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b20-17-,21-18-,29-26-,38-27-,47-44-/t64-/m1/s1",YAESLJXRJMPFNO,YGEWVVLXSA,N,"TG(24:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",YAESLJXRJMPFNO-YGEWVVLXSA-N
HMDB47496,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,66H,4-16,19,22-25,28,31-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-/t66-/m1/s1",PYDCAMLJJWLXER,UECALPQRSA,N,"TG(24:0/22:2(13Z,16Z)/20:2n6)",PYDCAMLJJWLXER-UECALPQRSA-N
HMDB47497,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,40,43,66H,4-16,19,22-25,28,31-39,41-42,44-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,43-40-/t66-/m1/s1",HTTWKZCTKKKNHP,WLOAJLGYSA,N,"TG(24:0/22:2(13Z,16Z)/20:3n6)",HTTWKZCTKKKNHP-WLOAJLGYSA-N
HMDB47498,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,40,43,49,52,66H,4-16,19,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",WAWHGPUYFVLHST,IURGHBINSA,N,"TG(24:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",WAWHGPUYFVLHST-IURGHBINSA-N
HMDB47499,1078.986741906,C71H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,68H,4-16,19,22-25,28,31-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-/t68-/m1/s1",JIPSMUHYHFSPHL,DDIMCLJLSA,N,"TG(24:0/22:2(13Z,16Z)/22:2(13Z,16Z))",JIPSMUHYHFSPHL-DDIMCLJLSA-N
HMDB47500,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,39,45,48,68H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",DOOLNTXDKQMSKD,YKRXTDFPSA,N,"TG(24:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",DOOLNTXDKQMSKD-YKRXTDFPSA-N
HMDB47501,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,39,45,48,54,57,68H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",UOSNIPKFACEDOG,GBQUTBKGSA,N,"TG(24:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UOSNIPKFACEDOG-GBQUTBKGSA-N
HMDB47502,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,38,64H,4-8,10-11,13-16,19,22-25,28,30-37,39-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,38-27-/t64-/m1/s1",QQSJXZTXYSYVJD,ILCGIJNTSA,N,"TG(24:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",QQSJXZTXYSYVJD-ILCGIJNTSA-N
HMDB47503,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,38,44,47,64H,4-8,10-11,13-16,19,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,38-27-,47-44-/t64-/m1/s1",UUHXGPMVVLSLIH,FYYMSCDLSA,N,"TG(24:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",UUHXGPMVVLSLIH-FYYMSCDLSA-N
HMDB47504,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,40,43,66H,4-8,10-11,13-16,19,22-25,28,31-39,41-42,44-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,43-40-/t66-/m1/s1",BERCZPVKGWGWFS,MUXKUHMWSA,N,"TG(24:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",BERCZPVKGWGWFS-MUXKUHMWSA-N
HMDB47505,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,40,43,49,52,66H,4-8,10-11,13-16,19,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",ARVQEEWNAJZJPC,MYWCAFADSA,N,"TG(24:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ARVQEEWNAJZJPC-MYWCAFADSA-N
HMDB47506,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,39,45,48,68H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",ANJHQENJOMLLCW,PDLDVCIKSA,N,"TG(24:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ANJHQENJOMLLCW-PDLDVCIKSA-N
HMDB47507,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",GYLVCDFHTXXRBH,HYBWEXDPSA,N,"TG(24:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GYLVCDFHTXXRBH-HYBWEXDPSA-N
HMDB47508,1012.976177222,C67H128O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,65H,4-16,18-19,21-25,27-28,30-64H2,1-3H3/b20-17-,29-26-/t65-/m1/s1",WDUMSUNUPODEED,WSXZBVCTSA,N,"TG(24:0/22:2(13Z,16Z)/o-18:0)",WDUMSUNUPODEED-WSXZBVCTSA-N
HMDB47509,1107.01804202,C73H134O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C73H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,43,49,52,70H,4-17,19-20,22-26,28-29,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b21-18-,30-27-,43-38-,52-49-",KTNYFOROEDEEAU,KRWLJMMWSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/24:0)",KTNYFOROEDEEAU-KRWLJMMWSA-N
HMDB47510,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,35,39,42,60H,4-14,16,19,21-24,26,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b18-15-,20-17-,27-25-,35-32-,42-39-/t60-/m1/s1",RBAXJCVLSUEXJH,WCBQSPGLSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))",RBAXJCVLSUEXJH-WCBQSPGLSA-N
HMDB47511,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,41,44,62H,4-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b20-17-,24-21-,28-26-,36-33-,44-41-/t62-/m1/s1",KUDZAZYDCOIVLF,AIZAEPKISA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))",KUDZAZYDCOIVLF-AIZAEPKISA-N
HMDB47512,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,37,43,46,64H,4-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,24-21-,29-26-,37-34-,46-43-/t64-/m1/s1",YABUWFRBWKQMMT,XNLIRNFTSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))",YABUWFRBWKQMMT-XNLIRNFTSA-N
HMDB47513,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,37-38,43,46,64H,4-16,18-19,21-25,28,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b20-17-,29-26-,37-34-,38-27-,46-43-/t64-/m1/s1",OJOOLOWVTRNTDP,QGOWSQNNSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",OJOOLOWVTRNTDP-QGOWSQNNSA-N
HMDB47514,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,39,45,48,66H,4-16,18-19,21-25,28,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b20-17-,29-26-,30-27-,39-35-,48-45-/t66-/m1/s1",SOWLFHKDQGXICM,CBYPDVRCSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",SOWLFHKDQGXICM-CBYPDVRCSA-N
HMDB47515,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-16,18-19,21-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b20-17-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-/t66-/m1/s1",SBBIXYDTSCPDEO,CBGIKWIXSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",SBBIXYDTSCPDEO-CBGIKWIXSA-N
HMDB47516,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,37,41,47,50,68H,4-17,19-20,22-25,28,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b21-18-,29-26-,30-27-,41-37-,50-47-/t68-/m1/s1",JIOKLGJEDGYVRK,BRWVSROKSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",JIOKLGJEDGYVRK-BRWVSROKSA-N
HMDB47517,1105.00239197,C73H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,43,49,52,70H,4-17,19-20,22-24,26,29,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b21-18-,28-25-,30-27-,43-38-,52-49-/t70-/m1/s1",AIUAXCGIPSDGIC,BBRRZZSNSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",AIUAXCGIPSDGIC-BBRRZZSNSA-N
HMDB47518,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,37-38,43,46,64H,4-16,19,22-25,28,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b20-17-,21-18-,29-26-,37-34-,38-27-,46-43-/t64-/m1/s1",WTXZJLCLQRXFIU,WBFKMTMUSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",WTXZJLCLQRXFIU-WBFKMTMUSA-N
HMDB47519,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,37-38,43-44,46-47,64H,4-16,19,22-25,28,30-33,35-36,39-42,45,48-63H2,1-3H3/b20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-/t64-/m1/s1",UFVDXDNGICRXMJ,NPIYQDPZSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",UFVDXDNGICRXMJ-NPIYQDPZSA-N
HMDB47520,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,39,45,48,66H,4-16,19,22-25,28,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-35-,48-45-/t66-/m1/s1",PLTHHJNEZQMZCT,CDEJJOMESA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)",PLTHHJNEZQMZCT-CDEJJOMESA-N
HMDB47521,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,39-40,43,45,48,66H,4-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-/t66-/m1/s1",GRXRYEUMTWXIDS,OVYKYGGESA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)",GRXRYEUMTWXIDS-OVYKYGGESA-N
HMDB47522,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-/t66-/m1/s1",JSMLMBINSZFTFY,NBAKDKMNSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",JSMLMBINSZFTFY-NBAKDKMNSA-N
HMDB47523,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,37,41,47,50,68H,4-16,19,22-25,28,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-37-,50-47-/t68-/m1/s1",AJTGPFRWUJAWSB,RUDZZKANSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",AJTGPFRWUJAWSB-RUDZZKANSA-N
HMDB47524,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,68H,4-16,19,22-25,28,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-/t68-/m1/s1",NQMHHXCCMZFYTN,ZYJLDCEJSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",NQMHHXCCMZFYTN-ZYJLDCEJSA-N
HMDB47525,1068.908491584,C71H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,57,68H,4-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-/t68-/m1/s1",OREDJLYKFMBXFM,FDWWEWSGSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OREDJLYKFMBXFM-FDWWEWSGSA-N
HMDB47526,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,37-38,43,46,64H,4-8,10-11,13-16,19,22-25,28,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-/t64-/m1/s1",FSTGOXZXVVMDIJ,USDZPJICSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",FSTGOXZXVVMDIJ-USDZPJICSA-N
HMDB47527,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,37-38,43-44,46-47,64H,4-8,10-11,13-16,19,22-25,28,30-33,35-36,39-42,45,48-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-/t64-/m1/s1",ALRUYLFZVRENBK,YTTXCKJRSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",ALRUYLFZVRENBK-YTTXCKJRSA-N
HMDB47528,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,39-40,43,45,48,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-/t66-/m1/s1",QXFKNMXQZLTBCX,OXOKVCPBSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",QXFKNMXQZLTBCX-OXOKVCPBSA-N
HMDB47529,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-/t66-/m1/s1",RNJLNTKNOJPVGY,DFNKTJLLSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RNJLNTKNOJPVGY-DFNKTJLLSA-N
HMDB47530,1068.908491584,C71H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-/t68-/m1/s1",UHOIJYHWJNUHDK,ZCNSNGNKSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UHOIJYHWJNUHDK-ZCNSNGNKSA-N
HMDB47531,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,57,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-/t68-/m1/s1",FAEMMMSTIAFPFE,HNVCZFJTSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FAEMMMSTIAFPFE-HNVCZFJTSA-N
HMDB47532,1008.944877093,C67H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,43,46,65H,4-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-64H2,1-3H3/b20-17-,29-26-,38-35-,46-43-/t65-/m1/s1",BRGFEFKQQNNFQM,ZOHHFRFKSA,N,"TG(24:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)",BRGFEFKQQNNFQM-ZOHHFRFKSA-N
HMDB47533,1105.002391956,C73H132O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,43,49,52,58,61,70H,4-17,19-20,22-26,28-29,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b21-18-,30-27-,43-38-,52-49-,61-58-",YNQBTCHYENLOIY,AVJGFUDRSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)",YNQBTCHYENLOIY-AVJGFUDRSA-N
HMDB47534,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,35,39,42,48,51,60H,4-14,16,19,21-24,26,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b18-15-,20-17-,27-25-,35-32-,42-39-,51-48-/t60-/m1/s1",DXLAYYUDUQMJEA,WHNXSCMQSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))",DXLAYYUDUQMJEA-WHNXSCMQSA-N
HMDB47535,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,41,44,50,53,62H,4-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,24-21-,28-26-,36-33-,44-41-,53-50-/t62-/m1/s1",BJVKGTOPRRJTDJ,JWVSWDRGSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",BJVKGTOPRRJTDJ-JWVSWDRGSA-N
HMDB47536,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,37,43,46,52,55,64H,4-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,24-21-,29-26-,37-34-,46-43-,55-52-/t64-/m1/s1",LEJDRRGEUOWTEP,NAOMIVOSSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",LEJDRRGEUOWTEP-NAOMIVOSSA-N
HMDB47537,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,37-38,43,46,52,55,64H,4-16,18-19,21-25,28,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,29-26-,37-34-,38-27-,46-43-,55-52-/t64-/m1/s1",AYTFSDQFHHLGAK,OZTVKVMASA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",AYTFSDQFHHLGAK-OZTVKVMASA-N
HMDB47538,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,39,45,48,54,57,66H,4-16,18-19,21-25,28,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,29-26-,30-27-,39-35-,48-45-,57-54-/t66-/m1/s1",ZVLXTEWNUHRSJL,WABWRXERSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",ZVLXTEWNUHRSJL-WABWRXERSA-N
HMDB47539,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,39-40,43,45,48-49,52,54,57,66H,4-16,18-19,21-25,28,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b20-17-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-/t66-/m1/s1",ZBMYONAYLBTORP,DTXHPEBGSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",ZBMYONAYLBTORP-DTXHPEBGSA-N
HMDB47540,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,37,41,47,50,56,59,68H,4-17,19-20,22-25,28,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b21-18-,29-26-,30-27-,41-37-,50-47-,59-56-/t68-/m1/s1",NGZVVYRQDFWBKV,PZNYBNMVSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",NGZVVYRQDFWBKV-PZNYBNMVSA-N
HMDB47541,1102.986741906,C73H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,43,49,52,58,61,70H,4-17,19-20,22-24,26,29,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b21-18-,28-25-,30-27-,43-38-,52-49-,61-58-/t70-/m1/s1",IMXKEDUWUBRNSU,WGCQBHIHSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",IMXKEDUWUBRNSU-WGCQBHIHSA-N
HMDB47542,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,37-38,43,46,52,55,64H,4-16,19,22-25,28,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,55-52-/t64-/m1/s1",KUZIWDFEXBFLFX,ZYNLMMBJSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",KUZIWDFEXBFLFX-ZYNLMMBJSA-N
HMDB47543,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,37-38,43-44,46-47,52,55,64H,4-16,19,22-25,28,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-/t64-/m1/s1",JBSRSASIPVHEIW,LQGPHCJNSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",JBSRSASIPVHEIW-LQGPHCJNSA-N
HMDB47544,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,39,45,48,54,57,66H,4-16,19,22-25,28,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-35-,48-45-,57-54-/t66-/m1/s1",TUDHETJGJCODOG,DMAYBXGHSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",TUDHETJGJCODOG-DMAYBXGHSA-N
HMDB47545,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,39-40,43,45,48,54,57,66H,4-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-/t66-/m1/s1",ACOUBMCGQXILPK,FBPVKWDUSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",ACOUBMCGQXILPK-FBPVKWDUSA-N
HMDB47546,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,54,57,66H,4-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-/t66-/m1/s1",YYOKKFOHCABTGW,HGUVMYDJSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",YYOKKFOHCABTGW-HGUVMYDJSA-N
HMDB47547,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,37,41,47,50,56,59,68H,4-16,19,22-25,28,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-37-,50-47-,59-56-/t68-/m1/s1",BVWYZNOFORAHQB,BDQUUNBESA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",BVWYZNOFORAHQB-BDQUUNBESA-N
HMDB47548,1068.908491584,C71H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,56,59,68H,4-16,19,22-25,28,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-/t68-/m1/s1",CNDGYCHMWGFSIC,XQQTZNMASA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",CNDGYCHMWGFSIC-XQQTZNMASA-N
HMDB47549,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-/t68-/m1/s1",DVFZWXWVWOBWOX,BHPYYFJJSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DVFZWXWVWOBWOX-BHPYYFJJSA-N
HMDB47550,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,37-38,43,46,52,55,64H,4-8,10-11,13-16,19,22-25,28,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,55-52-/t64-/m1/s1",YBUODJHDYXINQK,FMTXQVOTSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",YBUODJHDYXINQK-FMTXQVOTSA-N
HMDB47551,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,37-38,43-44,46-47,52,55,64H,4-8,10-11,13-16,19,22-25,28,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-/t64-/m1/s1",JJOUVXXNTCFFEX,ANNDENKZSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",JJOUVXXNTCFFEX-ANNDENKZSA-N
HMDB47552,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,39-40,43,45,48,54,57,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-/t66-/m1/s1",XXYVSRROOIZONW,VSRGOSSJSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",XXYVSRROOIZONW-VSRGOSSJSA-N
HMDB47553,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,54,57,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-/t66-/m1/s1",FWQNANLGFUPANA,RAWQNZJASA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FWQNANLGFUPANA-RAWQNZJASA-N
HMDB47554,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,56,59,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-/t68-/m1/s1",FRRCJMRGXAEKDD,WEJPXGLQSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FRRCJMRGXAEKDD-WEJPXGLQSA-N
HMDB47555,1064.877191455,C71H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-/t68-/m1/s1",CMBSQOLGKHNSSE,BNUMKSPQSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CMBSQOLGKHNSSE-BNUMKSPQSA-N
HMDB47556,1006.929227028,C67H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,43,46,52,55,65H,4-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-51,53-54,56-64H2,1-3H3/b20-17-,29-26-,38-35-,46-43-,55-52-/t65-/m1/s1",CODCKPCGFDSMTC,HGJJJRJFSA,N,"TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",CODCKPCGFDSMTC-HGJJJRJFSA-N
HMDB47557,1052.971091828,C69H128O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,40,66H,4-8,10-11,13-17,19-20,22-26,28-39,41-65H2,1-3H3/b12-9-,21-18-,40-27-",PXUKEHDXQKFKRX,BDYVFVGJSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/24:0)",PXUKEHDXQKFKRX-BDYVFVGJSA-N
HMDB47558,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-/t56-/m1/s1",KEWOZCUQOQJQHO,GKAFLOITSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/14:1(9Z))",KEWOZCUQOQJQHO-GKAFLOITSA-N
HMDB47559,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-/t58-/m1/s1",JCQPLTYLLRMKIQ,XNMIHLJYSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/16:1(9Z))",JCQPLTYLLRMKIQ-XNMIHLJYSA-N
HMDB47560,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,35,60H,4-8,10-11,13-17,19,22,24-26,28-34,36-59H2,1-3H3/b12-9-,21-18-,23-20-,35-27-/t60-/m1/s1",MSQOAJJKBRJHKC,WOXGTIBRSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/18:1(11Z))",MSQOAJJKBRJHKC-WOXGTIBRSA-N
HMDB47561,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,34-35,60H,4-8,10-11,13-17,19-20,22-25,28-33,36-59H2,1-3H3/b12-9-,21-18-,34-26-,35-27-/t60-/m1/s1",AHYOFQHJCROZHS,WHTAAGGISA,N,"TG(24:0/18:3(9Z,12Z,15Z)/18:1(9Z))",AHYOFQHJCROZHS-WHTAAGGISA-N
HMDB47562,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-/t62-/m1/s1",ZKNBHFNJPXHLKN,YDWNVGIRSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/20:1(11Z))",ZKNBHFNJPXHLKN-YDWNVGIRSA-N
HMDB47563,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36-37,39,45,48,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",OCKHWHDAFILGRC,ILVJGXFJSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",OCKHWHDAFILGRC-ILVJGXFJSA-N
HMDB47564,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,38,64H,4-8,10-11,13-17,19-20,22-25,28,30-37,39-63H2,1-3H3/b12-9-,21-18-,29-26-,38-27-/t64-/m1/s1",ZIGYDJZPTGRBGJ,HTMXPWPGSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/22:1(13Z))",ZIGYDJZPTGRBGJ-HTMXPWPGSA-N
HMDB47565,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,40,66H,4-8,10-11,13-17,19-20,22-24,26,29-39,41-65H2,1-3H3/b12-9-,21-18-,28-25-,40-27-/t66-/m1/s1",ZSUICTMYNLGHNG,CPTUCAHJSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/24:1(15Z))",ZSUICTMYNLGHNG-CPTUCAHJSA-N
HMDB47566,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,34-35,60H,4-8,10-11,13-16,19,22-25,28-33,36-59H2,1-3H3/b12-9-,20-17-,21-18-,34-26-,35-27-/t60-/m1/s1",FJCZNIRVTYQYOI,KTJVZGKESA,N,"TG(24:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",FJCZNIRVTYQYOI-KTJVZGKESA-N
HMDB47567,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,34-35,40,43,60H,4-8,10-11,13-16,19,22-25,28-33,36-39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,34-26-,35-27-,43-40-/t60-/m1/s1",FKDVIQPHQIWBSH,AEOIDKGLSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",FKDVIQPHQIWBSH-AEOIDKGLSA-N
HMDB47568,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-/t62-/m1/s1",JMHOKIUDOPVSPH,DJZXHQQYSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/20:2n6)",JMHOKIUDOPVSPH-DJZXHQQYSA-N
HMDB47569,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,39,62H,4-8,10-11,13-16,19,22-25,28,30-35,38,40-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,39-37-/t62-/m1/s1",KCKFJTGSXCRATR,VGWDJXGZSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/20:3n6)",KCKFJTGSXCRATR-VGWDJXGZSA-N
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HMDB47578,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,41,44,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-/t64-/m1/s1",NYUHQUJJKDOGGR,WDGWJVHFSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NYUHQUJJKDOGGR-WDGWJVHFSA-N
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HMDB47580,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,35,61H,4-8,10-11,13-17,19-20,22-26,28-34,36-60H2,1-3H3/b12-9-,21-18-,35-27-/t61-/m1/s1",LHGYPMLTLDHXRM,KHKGUJNRSA,N,"TG(24:0/18:3(9Z,12Z,15Z)/o-18:0)",LHGYPMLTLDHXRM-KHKGUJNRSA-N
HMDB47581,1050.955441764,C69H126O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,40,48,51,66H,4-8,10-11,13-17,19-20,22-26,28-39,41-47,49-50,52-65H2,1-3H3/b12-9-,21-18-,40-27-,51-48-",YMXSVXYXNVXMFR,IPRDFPSOSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/24:0)",YMXSVXYXNVXMFR-IPRDFPSOSA-N
HMDB47582,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,38,41,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-37,39-40,42-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-,41-38-/t56-/m1/s1",OGDMDVFJVRHBBL,YYWQKEAMSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))",OGDMDVFJVRHBBL-YYWQKEAMSA-N
HMDB47583,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,40,43,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-,43-40-/t58-/m1/s1",NSOZLUIBZMMRLD,HOJSGRQUSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))",NSOZLUIBZMMRLD-HOJSGRQUSA-N
HMDB47584,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,35,42,45,60H,4-8,10-11,13-17,19,22,24-26,28-34,36-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,23-20-,35-27-,45-42-/t60-/m1/s1",YHXPJGXXXHDEDU,LPBBNXRDSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))",YHXPJGXXXHDEDU-LPBBNXRDSA-N
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HMDB47589,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,40,48,51,66H,4-8,10-11,13-17,19-20,22-24,26,29-39,41-47,49-50,52-65H2,1-3H3/b12-9-,21-18-,28-25-,40-27-,51-48-/t66-/m1/s1",CIWBLBIIQNHDND,JKACKQDASA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",CIWBLBIIQNHDND-JKACKQDASA-N
HMDB47590,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,34-35,42,45,60H,4-8,10-11,13-16,19,22-25,28-33,36-41,43-44,46-59H2,1-3H3/b12-9-,20-17-,21-18-,34-26-,35-27-,45-42-/t60-/m1/s1",DZRDCZBPJFZULK,GFQNSZRUSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",DZRDCZBPJFZULK-GFQNSZRUSA-N
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HMDB47592,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,44,47,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,47-44-/t62-/m1/s1",FLAMDBKNYLFZHU,ZYUHGWRKSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)",FLAMDBKNYLFZHU-ZYUHGWRKSA-N
HMDB47593,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,39,44,47,62H,4-8,10-11,13-16,19,22-25,28,30-35,38,40-43,45-46,48-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,39-37-,47-44-/t62-/m1/s1",WVJWRPSYWDZIFS,VPVFHKDQSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)",WVJWRPSYWDZIFS-VPVFHKDQSA-N
HMDB47594,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,39,44-45,47-48,62H,4-8,10-11,13-16,19,22-25,28,30-35,38,40-43,46,49-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,39-37-,47-44-,48-45-/t62-/m1/s1",ZNGJEBQFCPEFSG,WNTHZQTASA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",ZNGJEBQFCPEFSG-WNTHZQTASA-N
HMDB47595,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,38,46,49,64H,4-8,10-11,13-16,19,22-25,28,30-37,39-45,47-48,50-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,38-27-,49-46-/t64-/m1/s1",SEWBWYKRQYZUQJ,OVLPJMGBSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",SEWBWYKRQYZUQJ-OVLPJMGBSA-N
HMDB47596,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,41,44,46,49,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-/t64-/m1/s1",JSKFSCGHGKGTNM,KSQPNTEUSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",JSKFSCGHGKGTNM-KSQPNTEUSA-N
HMDB47597,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,41,44,46,49-50,53,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-/t64-/m1/s1",YPOYCKLEYFUVQV,XCEQKPACSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YPOYCKLEYFUVQV-XCEQKPACSA-N
HMDB47598,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,34-35,42,45,60H,4-7,10,13-16,19,22-25,28-33,36-41,43-44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-,45-42-/t60-/m1/s1",FSLFEAPVEINECF,ACXBFZTHSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",FSLFEAPVEINECF-ACXBFZTHSA-N
HMDB47599,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,34-35,40,42-43,45,60H,4-7,10,13-16,19,22-25,28-33,36-39,41,44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-,43-40-,45-42-/t60-/m1/s1",JNWUZJVVSINCRU,MPCBJDOISA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",JNWUZJVVSINCRU-MPCBJDOISA-N
HMDB47600,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36-37,39,44,47,62H,4-7,10,13-16,19,22-25,28,30-35,38,40-43,45-46,48-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,39-37-,47-44-/t62-/m1/s1",ZYEFHCLVYYZEAJ,HWLBTXSDSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",ZYEFHCLVYYZEAJ-HWLBTXSDSA-N
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HMDB47602,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,41,44,46,49,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-/t64-/m1/s1",IBBAYRMZBLDIQW,LCXDXZJSSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IBBAYRMZBLDIQW-LCXDXZJSSA-N
HMDB47603,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,41,44,46,49-50,53,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-/t64-/m1/s1",ULTJJHRQBVDYLI,QKEVFFOGSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ULTJJHRQBVDYLI-QKEVFFOGSA-N
HMDB47604,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,35,42,45,61H,4-8,10-11,13-17,19-20,22-26,28-34,36-41,43-44,46-60H2,1-3H3/b12-9-,21-18-,35-27-,45-42-/t61-/m1/s1",YRIBGJSBLCTVJS,UYUBXDOXSA,N,"TG(24:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)",YRIBGJSBLCTVJS-UYUBXDOXSA-N
HMDB47605,1078.986741892,C71H130O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,44,47,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-43,45-46,48-67H2,1-3H3/b12-9-,21-18-,30-27-,47-44-",OKTLPMREZBVAFO,PLXMHZSSSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/24:0)",OKTLPMREZBVAFO-PLXMHZSSSA-N
HMDB47606,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,35,37,58H,4-7,9-10,12-14,16,19,21-24,26,28-34,36,38-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,37-35-/t58-/m1/s1",BOESXVPNQADVSB,IFZXZMIBSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))",BOESXVPNQADVSB-IFZXZMIBSA-N
HMDB47607,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,36,39,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,39-36-/t60-/m1/s1",BDAAUVXVYYGPNU,DJNMVNNCSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))",BDAAUVXVYYGPNU-DJNMVNNCSA-N
HMDB47608,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,38,41,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-37,39-40,42-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,41-38-/t62-/m1/s1",XJBUKHBXQCICDD,AGEBFRDWSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",XJBUKHBXQCICDD-AGEBFRDWSA-N
HMDB47609,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36,38,41,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,37,39-40,42-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,41-38-/t62-/m1/s1",CAMDKRNOFWWVGF,MSUIPHTBSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",CAMDKRNOFWWVGF-MSUIPHTBSA-N
HMDB47610,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,64H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-/t64-/m1/s1",YZRKCLZCNRFDOH,ZUEPTRDUSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",YZRKCLZCNRFDOH-ZUEPTRDUSA-N
HMDB47611,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,40-41,43,47,50,64H,4-8,10-11,13-17,19-20,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-/t64-/m1/s1",YLALSWKZEYODCJ,KXGLOJDQSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",YLALSWKZEYODCJ-KXGLOJDQSA-N
HMDB47612,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,42,45,66H,4-8,10-11,13-17,19-20,22-25,28,31-41,43-44,46-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,45-42-/t66-/m1/s1",NCQZBMIFFPFKCC,SGVZUYLJSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))",NCQZBMIFFPFKCC-SGVZUYLJSA-N
HMDB47613,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,44,47,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-43,45-46,48-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,47-44-/t68-/m1/s1",GAAIDNICECUSMY,XOXVVEKXSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))",GAAIDNICECUSMY-XOXVVEKXSA-N
HMDB47614,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36,38,41,62H,4-7,9-10,12-16,19,22-25,28,30-35,37,39-40,42-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,41-38-/t62-/m1/s1",ZORXFMSKOPZIMF,BMVGTBPUSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",ZORXFMSKOPZIMF-BMVGTBPUSA-N
HMDB47615,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36,38,41-42,45,62H,4-7,9-10,12-16,19,22-25,28,30-35,37,39-40,43-44,46-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-/t62-/m1/s1",JKNSZGOPOWBQBH,QPJMZCCVSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",JKNSZGOPOWBQBH-QPJMZCCVSA-N
HMDB47616,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,40,43,64H,4-8,10-11,13-16,19,22-25,28,31-39,41-42,44-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,43-40-/t64-/m1/s1",DDFLSNPRMSOCQY,WIJGKBMMSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)",DDFLSNPRMSOCQY-WIJGKBMMSA-N
HMDB47617,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,40-41,43,64H,4-8,10-11,13-16,19,22-25,28,31-37,39,42,44-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-/t64-/m1/s1",FDZBYTMMBOPJCZ,BWIIVNCBSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)",FDZBYTMMBOPJCZ-BWIIVNCBSA-N
HMDB47618,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,40-41,43,47,50,64H,4-8,10-11,13-16,19,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-/t64-/m1/s1",HSQOBOSEPQUZLR,BBCBSCMZSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",HSQOBOSEPQUZLR-BBCBSCMZSA-N
HMDB47619,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,42,45,66H,4-8,10-11,13-16,19,22-25,28,31-41,43-44,46-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,45-42-/t66-/m1/s1",FAKJRGHGWHERTP,YHXVJKGYSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",FAKJRGHGWHERTP-YHXVJKGYSA-N
HMDB47620,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39-41,44,47-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-/t66-/m1/s1",GJQPOXHTRDMXPY,IDLOIJLMSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",GJQPOXHTRDMXPY-IDLOIJLMSA-N
HMDB47621,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,52,55,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-/t66-/m1/s1",SZGYNNASVTWABZ,LPOGGMSASA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SZGYNNASVTWABZ-LPOGGMSASA-N
HMDB47622,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36,38,41,62H,4-7,10,13-16,19,22-25,28,30-35,37,39-40,42-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,41-38-/t62-/m1/s1",XPCULVHPOVARSX,MOFTZTAXSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",XPCULVHPOVARSX-MOFTZTAXSA-N
HMDB47623,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36,38,41-42,45,62H,4-7,10,13-16,19,22-25,28,30-35,37,39-40,43-44,46-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-/t62-/m1/s1",JWDDBYZFJPUIFS,IUMJSXAFSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",JWDDBYZFJPUIFS-IUMJSXAFSA-N
HMDB47624,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,38,40-41,43,64H,4-7,10,13-16,19,22-25,28,31-37,39,42,44-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-/t64-/m1/s1",ZZEXZXNZEMSTHP,SQOXZOGQSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",ZZEXZXNZEMSTHP-SQOXZOGQSA-N
HMDB47625,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,38,40-41,43,47,50,64H,4-7,10,13-16,19,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-/t64-/m1/s1",STEAUDLQJQDJJG,WOMKJTPVSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",STEAUDLQJQDJJG-WOMKJTPVSA-N
HMDB47626,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-41,44,47-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-/t66-/m1/s1",HLYBSTOIMMEMGH,IWSPIKKKSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HLYBSTOIMMEMGH-IWSPIKKKSA-N
HMDB47627,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,52,55,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-/t66-/m1/s1",XQLJKSPXWJMJJP,LWKUHQBOSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XQLJKSPXWJMJJP-LWKUHQBOSA-N
HMDB47628,980.913576964,C65H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-62H2,1-3H3/b11-8-,20-17-,29-26-,41-38-/t63-/m1/s1",ZUTXPGZQKACYGD,ZUZSMNGXSA,N,"TG(24:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)",ZUTXPGZQKACYGD-ZUZSMNGXSA-N
HMDB47629,1076.971091828,C71H128O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,44,47,53,56,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b12-9-,21-18-,30-27-,47-44-,56-53-",IEYJFCHDOJCSNL,OZVMFEMDSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)",IEYJFCHDOJCSNL-OZVMFEMDSA-N
HMDB47630,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,35,37,43,46,58H,4-7,9-10,12-14,16,19,21-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,37-35-,46-43-/t58-/m1/s1",TUFPTEDKHNZHPN,LJFWAVNFSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))",TUFPTEDKHNZHPN-LJFWAVNFSA-N
HMDB47631,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,36,39,45,48,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,39-36-,48-45-/t60-/m1/s1",YERFYJOKWWABQO,NNZNBNOOSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))",YERFYJOKWWABQO-NNZNBNOOSA-N
HMDB47632,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,38,41,47,50,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,41-38-,50-47-/t62-/m1/s1",PFPNSUYRYBRQSY,PNSRWLGUSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))",PFPNSUYRYBRQSY-PNSRWLGUSA-N
HMDB47633,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36,38,41,47,50,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",YDXXRVPJNOLCQD,MOHBBMOPSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",YDXXRVPJNOLCQD-MOHBBMOPSA-N
HMDB47634,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-,52-49-/t64-/m1/s1",SMVZNNWDAFGDON,BZORLGPTSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",SMVZNNWDAFGDON-BZORLGPTSA-N
HMDB47635,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-8,10-11,13-17,19-20,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",SDONRGGYUDCESG,GQNVKIPXSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",SDONRGGYUDCESG-GQNVKIPXSA-N
HMDB47636,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,42,45,51,54,66H,4-8,10-11,13-17,19-20,22-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,45-42-,54-51-/t66-/m1/s1",NIWABPGUJCPZSC,QHUWZBRGSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",NIWABPGUJCPZSC-QHUWZBRGSA-N
HMDB47637,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,44,47,53,56,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,47-44-,56-53-/t68-/m1/s1",NOGAUAGMQJKTKW,KTUVBMKASA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",NOGAUAGMQJKTKW-KTUVBMKASA-N
HMDB47638,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36,38,41,47,50,62H,4-7,9-10,12-16,19,22-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",FMZWCPBVQMEDAS,XTCJRHBOSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",FMZWCPBVQMEDAS-XTCJRHBOSA-N
HMDB47639,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36,38,41-42,45,47,50,62H,4-7,9-10,12-16,19,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-,50-47-/t62-/m1/s1",NWVIJTDATKKFAA,IPOZOGFZSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",NWVIJTDATKKFAA-IPOZOGFZSA-N
HMDB47640,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,40,43,49,52,64H,4-8,10-11,13-16,19,22-25,28,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,43-40-,52-49-/t64-/m1/s1",HYFMMCYEJKNZAP,DZYYEUOGSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",HYFMMCYEJKNZAP-DZYYEUOGSA-N
HMDB47641,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,40-41,43,49,52,64H,4-8,10-11,13-16,19,22-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,52-49-/t64-/m1/s1",NCKKZLAUWNWJLS,QBJOXHBUSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",NCKKZLAUWNWJLS-QBJOXHBUSA-N
HMDB47642,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-8,10-11,13-16,19,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",HQNTWXGWOQZIEM,NTYXWUHGSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",HQNTWXGWOQZIEM-NTYXWUHGSA-N
HMDB47643,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,42,45,51,54,66H,4-8,10-11,13-16,19,22-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,45-42-,54-51-/t66-/m1/s1",YSMHVHOXURPLCS,CKBRRHTKSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",YSMHVHOXURPLCS-CKBRRHTKSA-N
HMDB47644,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-/t66-/m1/s1",WGRKIDHBDLGDAC,XNQGMMAZSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",WGRKIDHBDLGDAC-XNQGMMAZSA-N
HMDB47645,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",KFGBVLLBEXNPAY,WLMAXAFOSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KFGBVLLBEXNPAY-WLMAXAFOSA-N
HMDB47646,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36,38,41,47,50,62H,4-7,10,13-16,19,22-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",FSJBNHBKPKMANP,QYYKFGBYSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",FSJBNHBKPKMANP-QYYKFGBYSA-N
HMDB47647,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36,38,41-42,45,47,50,62H,4-7,10,13-16,19,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-,50-47-/t62-/m1/s1",WHNGAYKTCMGGQQ,LYVYQABHSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",WHNGAYKTCMGGQQ-LYVYQABHSA-N
HMDB47648,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,38,40-41,43,49,52,64H,4-7,10,13-16,19,22-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,52-49-/t64-/m1/s1",UBEXWOURMHUVKP,VQYDEJGXSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",UBEXWOURMHUVKP-VQYDEJGXSA-N
HMDB47649,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-7,10,13-16,19,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",MIEDWFNNVCYNCT,OZUXTADXSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MIEDWFNNVCYNCT-OZUXTADXSA-N
HMDB47650,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-/t66-/m1/s1",FIVCNMJSHLHWIJ,UCMUJXBWSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FIVCNMJSHLHWIJ-UCMUJXBWSA-N
HMDB47651,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",NEVSMNXCRDZREG,RIFGLXGKSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NEVSMNXCRDZREG-RIFGLXGKSA-N
HMDB47652,978.8979269,C65H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,47,50,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b11-8-,20-17-,29-26-,41-38-,50-47-/t63-/m1/s1",JXWSMKYBPHUJJY,FMBGVSFWSA,N,"TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)",JXWSMKYBPHUJJY-FMBGVSFWSA-N
HMDB47653,1105.002391956,C73H132O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,43,49,52,70H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b12-9-,21-18-,30-27-,43-38-,52-49-",FFICBAUQZTVSCR,NOWKOVMPSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)",FFICBAUQZTVSCR-NOWKOVMPSA-N
HMDB47654,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,35,39,42,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-32-,42-39-/t60-/m1/s1",HTYGMBXFTNEZHO,DYONDRKSSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",HTYGMBXFTNEZHO-DYONDRKSSA-N
HMDB47655,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,41,44,62H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-,44-41-/t62-/m1/s1",BBMLOEUKKMRRFU,ARQLFUEXSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",BBMLOEUKKMRRFU-ARQLFUEXSA-N
HMDB47656,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,43,46,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-,46-43-/t64-/m1/s1",ZWOIVLDZUOYBJG,GFFIXQFKSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",ZWOIVLDZUOYBJG-GFFIXQFKSA-N
HMDB47657,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,37-38,43,46,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,38-27-,46-43-/t64-/m1/s1",RFGXJPLFRCGOKZ,QETZZNTPSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",RFGXJPLFRCGOKZ-QETZZNTPSA-N
HMDB47658,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,39,45,48,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-35-,48-45-/t66-/m1/s1",WIFPWICZUKDPDY,YQAIUWBLSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",WIFPWICZUKDPDY-YQAIUWBLSA-N
HMDB47659,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-/t66-/m1/s1",LHTOZMFNCSIBHD,GGADBJLDSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",LHTOZMFNCSIBHD-GGADBJLDSA-N
HMDB47660,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,37,41,47,50,68H,4-8,10-11,13-17,19-20,22-25,28,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-37-,50-47-/t68-/m1/s1",ZBEIQLGEGZJNIA,QVLTYXCOSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",ZBEIQLGEGZJNIA-QVLTYXCOSA-N
HMDB47661,1102.986741906,C73H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,43,49,52,70H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-38-,52-49-/t70-/m1/s1",DULLVZKOKOYPAZ,UHTRYSLPSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",DULLVZKOKOYPAZ-UHTRYSLPSA-N
HMDB47662,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,37-38,43,46,64H,4-7,9-10,12-16,19,22-25,28,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-/t64-/m1/s1",SDZVBYABLBWIBJ,PLJMZCMZSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",SDZVBYABLBWIBJ-PLJMZCMZSA-N
HMDB47663,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,37-38,43-44,46-47,64H,4-7,9-10,12-16,19,22-25,28,30-33,35-36,39-42,45,48-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-/t64-/m1/s1",HIOGJHKOGOGXTK,OLOTTYIMSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",HIOGJHKOGOGXTK-OLOTTYIMSA-N
HMDB47664,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,39,45,48,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-35-,48-45-/t66-/m1/s1",XIIPXFXALBZEPN,XDPNYZNQSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",XIIPXFXALBZEPN-XDPNYZNQSA-N
HMDB47665,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,39-40,43,45,48,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-/t66-/m1/s1",WRJJSIQLHGNECK,UIWNVXNLSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",WRJJSIQLHGNECK-UIWNVXNLSA-N
HMDB47666,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-/t66-/m1/s1",LQFBHLKIIGYDIJ,XAXOWQEJSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",LQFBHLKIIGYDIJ-XAXOWQEJSA-N
HMDB47667,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,37,41,47,50,68H,4-8,10-11,13-16,19,22-25,28,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-37-,50-47-/t68-/m1/s1",AVHFZGVJGQWFNF,DCXLHNHHSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",AVHFZGVJGQWFNF-DCXLHNHHSA-N
HMDB47668,1068.908491584,C71H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,68H,4-8,10-11,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-/t68-/m1/s1",BPJHVXUPZBJVNR,WDBTTXAVSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",BPJHVXUPZBJVNR-WDBTTXAVSA-N
HMDB47669,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,57,68H,4-8,10-11,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-/t68-/m1/s1",MGOIWLNJLFLRGL,FYCBTNJASA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MGOIWLNJLFLRGL-FYCBTNJASA-N
HMDB47670,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,37-38,43,46,64H,4-7,10,13-16,19,22-25,28,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-/t64-/m1/s1",HPCUHCMVDKVQLC,YVPXIORBSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",HPCUHCMVDKVQLC-YVPXIORBSA-N
HMDB47671,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,37-38,43-44,46-47,64H,4-7,10,13-16,19,22-25,28,30-33,35-36,39-42,45,48-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-/t64-/m1/s1",UXCRSGITZHUUFE,GMUWYMJQSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",UXCRSGITZHUUFE-GMUWYMJQSA-N
HMDB47672,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,39-40,43,45,48,66H,4-7,10,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-/t66-/m1/s1",WXLIUXOYHHSELX,YECSWCFMSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",WXLIUXOYHHSELX-YECSWCFMSA-N
HMDB47673,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-7,10,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-/t66-/m1/s1",SMTJPADWBWVQMI,VGCWAQNISA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SMTJPADWBWVQMI-VGCWAQNISA-N
HMDB47674,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,68H,4-7,10,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-/t68-/m1/s1",QDYBQSUNJHUNCC,ZSUVACMWSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QDYBQSUNJHUNCC-ZSUVACMWSA-N
HMDB47675,1064.877191455,C71H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,57,68H,4-7,10,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-/t68-/m1/s1",PWLOBAAZKDHIFR,AXFRYBKGSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PWLOBAAZKDHIFR-AXFRYBKGSA-N
HMDB47676,1006.929227028,C67H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,43,46,65H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-64H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,46-43-/t65-/m1/s1",NWTOBXGBCAMQSI,BUZSUSTKSA,N,"TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",NWTOBXGBCAMQSI-BUZSUSTKSA-N
HMDB47677,1102.986741892,C73H130O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,43,49,52,58,61,70H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b12-9-,21-18-,30-27-,43-38-,52-49-,61-58-",MEDQOYHIHKUBOL,KWTQOLLASA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)",MEDQOYHIHKUBOL-KWTQOLLASA-N
HMDB47678,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,35,39,42,48,51,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-32-,42-39-,51-48-/t60-/m1/s1",GGPCBMWGVJUOBT,JWXCVMORSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",GGPCBMWGVJUOBT-JWXCVMORSA-N
HMDB47679,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,41,44,50,53,62H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-,44-41-,53-50-/t62-/m1/s1",LKFWQGWUWHPNGQ,HXKZEZFGSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",LKFWQGWUWHPNGQ-HXKZEZFGSA-N
HMDB47680,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-,46-43-,55-52-/t64-/m1/s1",LNASQGIZKILLSA,CVYCCTNWSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",LNASQGIZKILLSA-CVYCCTNWSA-N
HMDB47681,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,37-38,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,38-27-,46-43-,55-52-/t64-/m1/s1",WRHQEVVNBCSFPH,AUZFIJBCSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",WRHQEVVNBCSFPH-AUZFIJBCSA-N
HMDB47682,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,39,45,48,54,57,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-35-,48-45-,57-54-/t66-/m1/s1",VMFRCGXVWQOVCS,ZNCNJMPMSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",VMFRCGXVWQOVCS-ZNCNJMPMSA-N
HMDB47683,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-/t66-/m1/s1",GTQCLBLIGGYREU,QNVPTNRYSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",GTQCLBLIGGYREU-QNVPTNRYSA-N
HMDB47684,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,37,41,47,50,56,59,68H,4-8,10-11,13-17,19-20,22-25,28,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-37-,50-47-,59-56-/t68-/m1/s1",SXQKZFGVMOFIMW,IBUGCHBMSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",SXQKZFGVMOFIMW-IBUGCHBMSA-N
HMDB47685,1100.971091842,C73H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,43,49,52,58,61,70H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-38-,52-49-,61-58-/t70-/m1/s1",CAJSVCWBLVAAOV,GEUYMFEQSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",CAJSVCWBLVAAOV-GEUYMFEQSA-N
HMDB47686,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,37-38,43,46,52,55,64H,4-7,9-10,12-16,19,22-25,28,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,55-52-/t64-/m1/s1",MEBWZDLVKHPSDQ,LQTHYIKYSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",MEBWZDLVKHPSDQ-LQTHYIKYSA-N
HMDB47687,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,37-38,43-44,46-47,52,55,64H,4-7,9-10,12-16,19,22-25,28,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-/t64-/m1/s1",SCIYTEAVAKLXGA,NDFYAZPLSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",SCIYTEAVAKLXGA-NDFYAZPLSA-N
HMDB47688,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,39,45,48,54,57,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-35-,48-45-,57-54-/t66-/m1/s1",CPILZQYKVVKTNC,BWZCCTFKSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",CPILZQYKVVKTNC-BWZCCTFKSA-N
HMDB47689,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,39-40,43,45,48,54,57,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-/t66-/m1/s1",XGWHERHCOSDJJZ,HSQATDKPSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",XGWHERHCOSDJJZ-HSQATDKPSA-N
HMDB47690,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-/t66-/m1/s1",IZQIXSLIJAMLFD,NZPFJRQRSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",IZQIXSLIJAMLFD-NZPFJRQRSA-N
HMDB47691,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,37,41,47,50,56,59,68H,4-8,10-11,13-16,19,22-25,28,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-37-,50-47-,59-56-/t68-/m1/s1",REYOMMZBNNKHQM,MXGDFLNJSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",REYOMMZBNNKHQM-MXGDFLNJSA-N
HMDB47692,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,56,59,68H,4-8,10-11,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-/t68-/m1/s1",LLPQWHFFDMNYTE,RSSOEYFVSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",LLPQWHFFDMNYTE-RSSOEYFVSA-N
HMDB47693,1064.877191455,C71H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-8,10-11,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-/t68-/m1/s1",RRZKMKZGCMQFNV,OVWKOOTNSA,N,"TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RRZKMKZGCMQFNV-OVWKOOTNSA-N
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HMDB47707,982.929227028,C65H122O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h26,29,37,40,46,49,63H,4-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b29-26-,40-37-,49-46-/t63-/m1/s1",LWCSRHRDTUCXKW,QIBCJVCNSA,N,"TG(24:0/o-18:0/20:3(5Z,8Z,11Z))",LWCSRHRDTUCXKW-QIBCJVCNSA-N
HMDB47708,1014.991827286,C67H130O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,65H,4-25,27-28,30-64H2,1-3H3/b29-26-/t65-/m1/s1",BJLJAHPADCOIKF,FHQWLIJJSA,N,TG(24:0/o-18:0/22:1(13Z)),BJLJAHPADCOIKF-FHQWLIJJSA-N
HMDB47709,1043.023127415,C69H134O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H134O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-65-67(72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)66-74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,67H,4-24,26-27,29-66H2,1-3H3/b28-25-/t67-/m1/s1",OJCDFARQYVDWBA,QJGHWQPCSA,N,TG(24:0/o-18:0/24:1(15Z)),OJCDFARQYVDWBA-QJGHWQPCSA-N
HMDB47710,956.913576964,C63H120O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,27,35,61H,4-17,19-20,22-26,28-34,36-60H2,1-3H3/b21-18-,35-27-/t61-/m1/s1",OTARVUCVZUWLOP,RVEZQVEJSA,N,"TG(24:0/o-18:0/18:2(9Z,12Z))",OTARVUCVZUWLOP-RVEZQVEJSA-N
HMDB47711,954.8979269,C63H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,27,35,41,44,61H,4-17,19-20,22-26,28-34,36-40,42-43,45-60H2,1-3H3/b21-18-,35-27-,44-41-/t61-/m1/s1",MNBYMCVZZONTET,ZIAGUZGGSA,N,"TG(24:0/o-18:0/18:3(6Z,9Z,12Z))",MNBYMCVZZONTET-ZIAGUZGGSA-N
HMDB47712,984.944877093,C65H124O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,63H,4-16,18-19,21-25,27-28,30-62H2,1-3H3/b20-17-,29-26-/t63-/m1/s1",WKVNKHDJODVMEL,URTCAEPCSA,N,TG(24:0/o-18:0/20:2n6),WKVNKHDJODVMEL-URTCAEPCSA-N
HMDB47713,982.929227028,C65H122O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,63H,4-16,18-19,21-25,27-28,30-36,38-39,41-62H2,1-3H3/b20-17-,29-26-,40-37-/t63-/m1/s1",FCHHKQCZFYSNLN,HRTNPQKTSA,N,TG(24:0/o-18:0/20:3n6),FCHHKQCZFYSNLN-HRTNPQKTSA-N
HMDB47714,980.913576964,C65H120O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,46,49,63H,4-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b20-17-,29-26-,40-37-,49-46-/t63-/m1/s1",KNPMNPCULTVKMG,KSYNBDQYSA,N,"TG(24:0/o-18:0/20:4(5Z,8Z,11Z,14Z))",KNPMNPCULTVKMG-KSYNBDQYSA-N
HMDB47715,1012.976177222,C67H128O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,65H,4-16,18-19,21-25,27-28,30-64H2,1-3H3/b20-17-,29-26-/t65-/m1/s1",BUVDUBGCGNZFKW,WSXZBVCTSA,N,"TG(24:0/o-18:0/22:2(13Z,16Z))",BUVDUBGCGNZFKW-WSXZBVCTSA-N
HMDB47716,1008.944877093,C67H124O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,42,45,65H,4-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-64H2,1-3H3/b20-17-,29-26-,37-35-,45-42-/t65-/m1/s1",LDEHOSBMGFPHSG,XOPLWFJWSA,N,"TG(24:0/o-18:0/22:4(7Z,10Z,13Z,16Z))",LDEHOSBMGFPHSG-XOPLWFJWSA-N
HMDB47717,1006.929227028,C67H122O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,42,45,51,54,65H,4-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b20-17-,29-26-,37-35-,45-42-,54-51-/t65-/m1/s1",QDLGXJHZVCBMCO,PUBUABHRSA,N,"TG(24:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",QDLGXJHZVCBMCO-PUBUABHRSA-N
HMDB47718,954.8979269,C63H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,35,61H,4-8,10-11,13-17,19-20,22-26,28-34,36-60H2,1-3H3/b12-9-,21-18-,35-27-/t61-/m1/s1",JNIVZFHKRHKLRF,KHKGUJNRSA,N,"TG(24:0/o-18:0/18:3(9Z,12Z,15Z))",JNIVZFHKRHKLRF-KHKGUJNRSA-N
HMDB47719,952.882276835,C63H116O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,35,41,44,61H,4-8,10-11,13-17,19-20,22-26,28-34,36-40,42-43,45-60H2,1-3H3/b12-9-,21-18-,35-27-,44-41-/t61-/m1/s1",FAAHFCOXNIGEMO,GFAJMFIRSA,N,"TG(24:0/o-18:0/18:4(6Z,9Z,12Z,15Z))",FAAHFCOXNIGEMO-GFAJMFIRSA-N
HMDB47720,980.913576964,C65H120O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-62H2,1-3H3/b11-8-,20-17-,29-26-,40-37-/t63-/m1/s1",IKDAJBJMHHZIEI,QYQMXAMVSA,N,"TG(24:0/o-18:0/20:4(8Z,11Z,14Z,17Z))",IKDAJBJMHHZIEI-QYQMXAMVSA-N
HMDB47721,978.8979269,C65H118O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,46,49,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b11-8-,20-17-,29-26-,40-37-,49-46-/t63-/m1/s1",MVVFVZLTFFPEFA,RRVUYMOJSA,N,"TG(24:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",MVVFVZLTFFPEFA-RRVUYMOJSA-N
HMDB47722,1006.929227028,C67H122O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,42,45,65H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,29-26-,37-35-,45-42-/t65-/m1/s1",UTVRAFRGTURAPI,GDAPXBKOSA,N,"TG(24:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",UTVRAFRGTURAPI-GDAPXBKOSA-N
HMDB47723,1004.913576964,C67H120O5,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,42,45,51,54,65H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,20-17-,29-26-,37-35-,45-42-,54-51-/t65-/m1/s1",MWZOYYNPMLHIBS,IGGWGBKZSA,N,"TG(24:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MWZOYYNPMLHIBS-IGGWGBKZSA-N
HMDB47724,718.611140356,C45H82O6,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C45H82O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,42H,4-12,15,18-41H2,1-3H3/b16-13-,17-14-",QVCQZCPGHRTTDE,YKVSKMSXSA,N,TG(14:1(9Z)/14:0/14:1(9Z)),QVCQZCPGHRTTDE-YKVSKMSXSA-N
HMDB47725,746.642440489,C47H86O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14,17,19,22,44H,4-13,15-16,18,20-21,23-43H2,1-3H3/b17-14-,22-19-/t44-/m0/s1",ACESEBUUQJTNNU,XKYHUGKASA,N,TG(14:1(9Z)/14:0/16:1(9Z)),ACESEBUUQJTNNU-XKYHUGKASA-N
HMDB47726,774.673740618,C49H90O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14,17,19,22,46H,4-13,15-16,18,20-21,23-45H2,1-3H3/b17-14-,22-19-/t46-/m0/s1",LOMNPHGHKLBTBF,LOCWQGRMSA,N,TG(14:1(9Z)/14:0/18:1(11Z)),LOMNPHGHKLBTBF-LOCWQGRMSA-N
HMDB47727,774.673740618,C49H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14,17,23-24,46H,4-13,15-16,18-22,25-45H2,1-3H3/b17-14-,24-23-/t46-/m0/s1",JBQMDQDSZTWDTK,RHOKNBOWSA,N,TG(14:1(9Z)/14:0/18:1(9Z)),JBQMDQDSZTWDTK-RHOKNBOWSA-N
HMDB47728,802.705040747,C51H94O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,17,23-24,48H,4-13,15-16,18-22,25-47H2,1-3H3/b17-14-,24-23-/t48-/m0/s1",UGOXVXHRRIDPMA,FMTAOWFWSA,N,TG(14:1(9Z)/14:0/20:1(11Z)),UGOXVXHRRIDPMA-FMTAOWFWSA-N
HMDB47729,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,17,23-24,26-27,32,35,48H,4-13,15-16,18-22,25,28-31,33-34,36-47H2,1-3H3/b17-14-,24-23-,27-26-,35-32-/t48-/m0/s1",KPBSFHHMYQHZQU,QMYUPACXSA,N,"TG(14:1(9Z)/14:0/20:3(5Z,8Z,11Z))",KPBSFHHMYQHZQU-QMYUPACXSA-N
HMDB47730,830.736340876,C53H98O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,17,23-24,50H,4-13,15-16,18-22,25-49H2,1-3H3/b17-14-,24-23-/t50-/m0/s1",BJQQSJITCQAGJU,JMTCNEBJSA,N,TG(14:1(9Z)/14:0/22:1(13Z)),BJQQSJITCQAGJU-JMTCNEBJSA-N
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HMDB47732,772.658090554,C49H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14,16-17,19,23-24,46H,4-13,15,18,20-22,25-45H2,1-3H3/b17-14-,19-16-,24-23-/t46-/m0/s1",VYJMVVYSUDYCLV,QITAHISLSA,N,"TG(14:1(9Z)/14:0/18:2(9Z,12Z))",VYJMVVYSUDYCLV-QITAHISLSA-N
HMDB47733,770.642440489,C49H86O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14,16-17,19,23-24,28,30,46H,4-13,15,18,20-22,25-27,29,31-45H2,1-3H3/b17-14-,19-16-,24-23-,30-28-/t46-/m0/s1",GNLWEEXSDSFXNJ,HFBGPIEWSA,N,"TG(14:1(9Z)/14:0/18:3(6Z,9Z,12Z))",GNLWEEXSDSFXNJ-HFBGPIEWSA-N
HMDB47734,800.689390682,C51H92O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,16-17,19,23-24,48H,4-13,15,18,20-22,25-47H2,1-3H3/b17-14-,19-16-,24-23-/t48-/m0/s1",YOELBCNRHKCGKR,NQXWZERQSA,N,TG(14:1(9Z)/14:0/20:2n6),YOELBCNRHKCGKR-NQXWZERQSA-N
HMDB47735,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,16-17,19,23-24,26-27,48H,4-13,15,18,20-22,25,28-47H2,1-3H3/b17-14-,19-16-,24-23-,27-26-/t48-/m0/s1",FWCDZNYVIPXMLP,SINDCACWSA,N,TG(14:1(9Z)/14:0/20:3n6),FWCDZNYVIPXMLP-SINDCACWSA-N
HMDB47736,796.658090554,C51H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,16-17,19,23-24,26-27,32,35,48H,4-13,15,18,20-22,25,28-31,33-34,36-47H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,35-32-/t48-/m0/s1",GWVTXFWYMCPYHV,OPJCOHTQSA,N,"TG(14:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))",GWVTXFWYMCPYHV-OPJCOHTQSA-N
HMDB47737,828.720690811,C53H96O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,16-17,19,23-24,50H,4-13,15,18,20-22,25-49H2,1-3H3/b17-14-,19-16-,24-23-/t50-/m0/s1",YGHWVMNNHHNBTJ,AYYVJPFTSA,N,"TG(14:1(9Z)/14:0/22:2(13Z,16Z))",YGHWVMNNHHNBTJ-AYYVJPFTSA-N
HMDB47738,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,16-17,19,23-24,26-27,29,32,50H,4-13,15,18,20-22,25,28,30-31,33-49H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,32-29-/t50-/m0/s1",XXTFQIBEJDQSDD,YDTFCQCJSA,N,"TG(14:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))",XXTFQIBEJDQSDD-YDTFCQCJSA-N
HMDB47739,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,16-17,19,23-24,26-27,29,32,37,40,50H,4-13,15,18,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,32-29-,40-37-/t50-/m0/s1",SFQKFLAXMAVLEC,AXHALOKESA,N,"TG(14:1(9Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",SFQKFLAXMAVLEC-AXHALOKESA-N
HMDB47740,770.642440489,C49H86O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,46H,4-6,8-9,11-13,15,18,20-22,25-45H2,1-3H3/b10-7-,17-14-,19-16-,24-23-/t46-/m0/s1",HXZOAMZGAUDRLR,ZUMUJTSCSA,N,"TG(14:1(9Z)/14:0/18:3(9Z,12Z,15Z))",HXZOAMZGAUDRLR-ZUMUJTSCSA-N
HMDB47741,768.626790425,C49H84O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,28,30,46H,4-6,8-9,11-13,15,18,20-22,25-27,29,31-45H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,30-28-/t46-/m0/s1",ASYKKWIMKODEAZ,FJXNFTJISA,N,"TG(14:1(9Z)/14:0/18:4(6Z,9Z,12Z,15Z))",ASYKKWIMKODEAZ-FJXNFTJISA-N
HMDB47742,796.658090554,C51H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,26-27,48H,4-6,8-9,11-13,15,18,20-22,25,28-47H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-/t48-/m0/s1",FDOVZMUKTRNXQS,ZNGSBEKWSA,N,"TG(14:1(9Z)/14:0/20:4(8Z,11Z,14Z,17Z))",FDOVZMUKTRNXQS-ZNGSBEKWSA-N
HMDB47743,794.642440489,C51H86O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,26-27,32,35,48H,4-6,8-9,11-13,15,18,20-22,25,28-31,33-34,36-47H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,35-32-/t48-/m0/s1",SVHMDKBPSPZRHG,KMWZJVAMSA,N,"TG(14:1(9Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",SVHMDKBPSPZRHG-KMWZJVAMSA-N
HMDB47744,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,26-27,29,32,50H,4-6,8-9,11-13,15,18,20-22,25,28,30-31,33-49H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,32-29-/t50-/m0/s1",ZSQMDPDFKMVESF,PETGXPCXSA,N,"TG(14:1(9Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",ZSQMDPDFKMVESF-PETGXPCXSA-N
HMDB47745,820.658090554,C53H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,26-27,29,32,37,40,50H,4-6,8-9,11-13,15,18,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,32-29-,40-37-/t50-/m0/s1",IJNPHOYLBQCSJG,YXXJFYFNSA,N,"TG(14:1(9Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IJNPHOYLBQCSJG-YXXJFYFNSA-N
HMDB47746,762.710126127,C49H94O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C49H94O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-45-47(54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)46-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2/h14,17,47H,4-13,15-16,18-46H2,1-3H3/b17-14-/t47-/m1/s1",RLNBLCHMLTXMQH,BJQOKWRCSA,N,TG(14:1(9Z)/14:0/o-18:0),RLNBLCHMLTXMQH-BJQOKWRCSA-N
HMDB47747,732.62679042,C46H84O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C46H84O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43(41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2)42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3/h14-15,17-18,43H,4-13,16,19-42H2,1-3H3/b17-14-,18-15-",IOPQXKJVKSXLKE,UBTQEXSZSA,N,TG(14:1(9Z)/15:0/14:1(9Z)),IOPQXKJVKSXLKE-UBTQEXSZSA-N
HMDB47748,760.658090554,C48H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C48H88O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18-19,22,45H,4-14,16-17,20-21,23-44H2,1-3H3/b18-15-,22-19-/t45-/m0/s1",SCJAGBUDOHPLBP,SSRSCIJFSA,N,TG(14:1(9Z)/15:0/16:1(9Z)),SCJAGBUDOHPLBP-SSRSCIJFSA-N
HMDB47749,788.689390682,C50H92O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18-19,22,47H,4-14,16-17,20-21,23-46H2,1-3H3/b18-15-,22-19-/t47-/m0/s1",GGUTZDMDSAXFPC,LZRCTIAQSA,N,TG(14:1(9Z)/15:0/18:1(11Z)),GGUTZDMDSAXFPC-LZRCTIAQSA-N
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HMDB47751,816.720690811,C52H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,24-25,49H,4-14,16-17,19-23,26-48H2,1-3H3/b18-15-,25-24-/t49-/m0/s1",MXMODTVYMFBFLH,WCPHBZGTSA,N,TG(14:1(9Z)/15:0/20:1(11Z)),MXMODTVYMFBFLH-WCPHBZGTSA-N
HMDB47752,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,33,36,49H,4-14,16-17,19-23,26,29-32,34-35,37-48H2,1-3H3/b18-15-,25-24-,28-27-,36-33-/t49-/m0/s1",LWWVQLORINORFA,LYZDZPDVSA,N,"TG(14:1(9Z)/15:0/20:3(5Z,8Z,11Z))",LWWVQLORINORFA-LYZDZPDVSA-N
HMDB47753,844.75199094,C54H100O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15,18,24-25,51H,4-14,16-17,19-23,26-50H2,1-3H3/b18-15-,25-24-/t51-/m0/s1",IAAOWLGANPKYPN,QBCUUWLLSA,N,TG(14:1(9Z)/15:0/22:1(13Z)),IAAOWLGANPKYPN-QBCUUWLLSA-N
HMDB47754,872.783291069,C56H104O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-34-23-20-17-14-11-8-5-2/h15,18,24-25,53H,4-14,16-17,19-23,26-52H2,1-3H3/b18-15-,25-24-/t53-/m0/s1",SEMZZORJUSOBBB,KQZFFQOVSA,N,TG(14:1(9Z)/15:0/24:1(15Z)),SEMZZORJUSOBBB-KQZFFQOVSA-N
HMDB47755,786.673740618,C50H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,47H,4-14,17,20-23,26-46H2,1-3H3/b18-15-,19-16-,25-24-/t47-/m0/s1",SSMKCXDMBHRTIM,LQQRUDSCSA,N,"TG(14:1(9Z)/15:0/18:2(9Z,12Z))",SSMKCXDMBHRTIM-LQQRUDSCSA-N
HMDB47756,784.658090554,C50H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,29,31,47H,4-14,17,20-23,26-28,30,32-46H2,1-3H3/b18-15-,19-16-,25-24-,31-29-/t47-/m0/s1",MKFWJCLOHJFDQO,WXFIWDNCSA,N,"TG(14:1(9Z)/15:0/18:3(6Z,9Z,12Z))",MKFWJCLOHJFDQO-WXFIWDNCSA-N
HMDB47757,814.705040747,C52H94O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,49H,4-14,17,20-23,26-48H2,1-3H3/b18-15-,19-16-,25-24-/t49-/m0/s1",ZLJXSIYOTXDQSO,NYEZBDJTSA,N,TG(14:1(9Z)/15:0/20:2n6),ZLJXSIYOTXDQSO-NYEZBDJTSA-N
HMDB47758,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,49H,4-14,17,20-23,26,29-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-/t49-/m0/s1",RMQIYDKFRLNHBL,ZSXQITSUSA,N,TG(14:1(9Z)/15:0/20:3n6),RMQIYDKFRLNHBL-ZSXQITSUSA-N
HMDB47759,810.673740618,C52H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,33,36,49H,4-14,17,20-23,26,29-32,34-35,37-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,36-33-/t49-/m0/s1",QNLQZXOKXMBLEP,PQOGXPGPSA,N,"TG(14:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z))",QNLQZXOKXMBLEP-PQOGXPGPSA-N
HMDB47760,842.736340876,C54H98O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,51H,4-14,17,20-23,26-50H2,1-3H3/b18-15-,19-16-,25-24-/t51-/m0/s1",QGSFHGSYPKDCBO,OCCKZLQQSA,N,"TG(14:1(9Z)/15:0/22:2(13Z,16Z))",QGSFHGSYPKDCBO-OCCKZLQQSA-N
HMDB47761,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,51H,4-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-/t51-/m0/s1",JPKNJGJLOIRIHE,MOXAXNAPSA,N,"TG(14:1(9Z)/15:0/22:4(7Z,10Z,13Z,16Z))",JPKNJGJLOIRIHE-MOXAXNAPSA-N
HMDB47762,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,38,41,51H,4-14,17,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-,41-38-/t51-/m0/s1",JEVYQXPCEWIORH,VJULQIKGSA,N,"TG(14:1(9Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",JEVYQXPCEWIORH-VJULQIKGSA-N
HMDB47763,784.658090554,C50H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,47H,4-6,8-9,11-14,17,20-23,26-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-/t47-/m0/s1",DIXBJBHGVYSCAR,LWFNPGACSA,N,"TG(14:1(9Z)/15:0/18:3(9Z,12Z,15Z))",DIXBJBHGVYSCAR-LWFNPGACSA-N
HMDB47764,782.642440489,C50H86O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H86O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,29,31,47H,4-6,8-9,11-14,17,20-23,26-28,30,32-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,31-29-/t47-/m0/s1",PDDVVYWIOOLBRZ,LMABFRGASA,N,"TG(14:1(9Z)/15:0/18:4(6Z,9Z,12Z,15Z))",PDDVVYWIOOLBRZ-LMABFRGASA-N
HMDB47765,810.673740618,C52H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,49H,4-6,8-9,11-14,17,20-23,26,29-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-/t49-/m0/s1",MKOKGIBRABXXHI,KUXTVNGESA,N,"TG(14:1(9Z)/15:0/20:4(8Z,11Z,14Z,17Z))",MKOKGIBRABXXHI-KUXTVNGESA-N
HMDB47766,808.658090554,C52H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,33,36,49H,4-6,8-9,11-14,17,20-23,26,29-32,34-35,37-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,36-33-/t49-/m0/s1",FTJWNHUETRYCAW,WWGUSDKKSA,N,"TG(14:1(9Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",FTJWNHUETRYCAW-WWGUSDKKSA-N
HMDB47767,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-/t51-/m0/s1",WZHXVXQJWNCNHV,RWTAIHHCSA,N,"TG(14:1(9Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",WZHXVXQJWNCNHV-RWTAIHHCSA-N
HMDB47768,834.673740618,C54H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,38,41,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-,41-38-/t51-/m0/s1",GUDNOOGFNJLYRU,WREVUQACSA,N,"TG(14:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GUDNOOGFNJLYRU-WREVUQACSA-N
HMDB47769,776.725776191,C50H96O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C50H96O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-46-48(47-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-/t48-/m1/s1",JHXKWAARTHRGDX,WGIOATGOSA,N,TG(14:1(9Z)/15:0/o-18:0),JHXKWAARTHRGDX-WGIOATGOSA-N
HMDB47770,746.642440484,C47H86O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C47H86O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14-15,17-18,44H,4-13,16,19-43H2,1-3H3/b17-14-,18-15-",RBLBDWLBNASHIW,UBTQEXSZSA,N,TG(14:1(9Z)/16:0/14:1(9Z)),RBLBDWLBNASHIW-UBTQEXSZSA-N
HMDB47771,774.673740618,C49H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18-19,22,46H,4-14,16-17,20-21,23-45H2,1-3H3/b18-15-,22-19-/t46-/m0/s1",XYYRUMPXVOZUGQ,SYWUTWTBSA,N,TG(14:1(9Z)/16:0/16:1(9Z)),XYYRUMPXVOZUGQ-SYWUTWTBSA-N
HMDB47772,802.705040747,C51H94O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18-19,22,48H,4-14,16-17,20-21,23-47H2,1-3H3/b18-15-,22-19-/t48-/m0/s1",OWWKGRVDSWDQHH,KEUYEOITSA,N,TG(14:1(9Z)/16:0/18:1(11Z)),OWWKGRVDSWDQHH-KEUYEOITSA-N
HMDB47773,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18,24-25,48H,4-14,16-17,19-23,26-47H2,1-3H3/b18-15-,25-24-/t48-/m0/s1",IDORTGNLWFUSFB,HQOGPMNASA,N,TG(14:1(9Z)/16:0/18:1(9Z)),IDORTGNLWFUSFB-HQOGPMNASA-N
HMDB47774,830.736340876,C53H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,24-25,50H,4-14,16-17,19-23,26-49H2,1-3H3/b18-15-,25-24-/t50-/m0/s1",AXGBRPSHYYTFMZ,NACWYWMMSA,N,TG(14:1(9Z)/16:0/20:1(11Z)),AXGBRPSHYYTFMZ-NACWYWMMSA-N
HMDB47775,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,24-25,27,29,34,37,50H,4-14,16-17,19-23,26,28,30-33,35-36,38-49H2,1-3H3/b18-15-,25-24-,29-27-,37-34-/t50-/m0/s1",VPGFTKMGXRAFIV,FFYITUQRSA,N,"TG(14:1(9Z)/16:0/20:3(5Z,8Z,11Z))",VPGFTKMGXRAFIV-FFYITUQRSA-N
HMDB47776,858.767641004,C55H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,24-25,52H,4-14,16-17,19-23,26-51H2,1-3H3/b18-15-,25-24-/t52-/m0/s1",SYVCJLCOFUNCRT,OLVOYKJBSA,N,TG(14:1(9Z)/16:0/22:1(13Z)),SYVCJLCOFUNCRT-OLVOYKJBSA-N
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HMDB47778,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,48H,4-14,17,20-23,26-47H2,1-3H3/b18-15-,19-16-,25-24-/t48-/m0/s1",FHGXTKAXCVLEFT,CTPXHKNOSA,N,"TG(14:1(9Z)/16:0/18:2(9Z,12Z))",FHGXTKAXCVLEFT-CTPXHKNOSA-N
HMDB47779,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,29,32,48H,4-14,17,20-23,26-28,30-31,33-47H2,1-3H3/b18-15-,19-16-,25-24-,32-29-/t48-/m0/s1",WCTQHGKNXPVJMQ,BJOSFJKTSA,N,"TG(14:1(9Z)/16:0/18:3(6Z,9Z,12Z))",WCTQHGKNXPVJMQ-BJOSFJKTSA-N
HMDB47780,828.720690811,C53H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,50H,4-14,17,20-23,26-49H2,1-3H3/b18-15-,19-16-,25-24-/t50-/m0/s1",FKRJLNNLXUZMAE,ANHIWIAZSA,N,TG(14:1(9Z)/16:0/20:2n6),FKRJLNNLXUZMAE-ANHIWIAZSA-N
HMDB47781,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27,29,50H,4-14,17,20-23,26,28,30-49H2,1-3H3/b18-15-,19-16-,25-24-,29-27-/t50-/m0/s1",QNSGESMEDNONDQ,CFNYABJBSA,N,TG(14:1(9Z)/16:0/20:3n6),QNSGESMEDNONDQ-CFNYABJBSA-N
HMDB47782,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27,29,34,37,50H,4-14,17,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b18-15-,19-16-,25-24-,29-27-,37-34-/t50-/m0/s1",NXTZBTICGNFHNX,IYHWOMEJSA,N,"TG(14:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))",NXTZBTICGNFHNX-IYHWOMEJSA-N
HMDB47783,856.75199094,C55H100O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,52H,4-14,17,20-23,26-51H2,1-3H3/b18-15-,19-16-,25-24-/t52-/m0/s1",QZRITKSXWHDXFB,AQMPJRPXSA,N,"TG(14:1(9Z)/16:0/22:2(13Z,16Z))",QZRITKSXWHDXFB-AQMPJRPXSA-N
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HMDB47786,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,48H,4-6,8-9,11-14,17,20-23,26-47H2,1-3H3/b10-7-,18-15-,19-16-,25-24-/t48-/m0/s1",XTRYZGWGRJXOOV,YBPFWAPBSA,N,"TG(14:1(9Z)/16:0/18:3(9Z,12Z,15Z))",XTRYZGWGRJXOOV-YBPFWAPBSA-N
HMDB47787,796.658090554,C51H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,29,32,48H,4-6,8-9,11-14,17,20-23,26-28,30-31,33-47H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,32-29-/t48-/m0/s1",BDRDOLCPZFPOPT,ZPXYAIKLSA,N,"TG(14:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z))",BDRDOLCPZFPOPT-ZPXYAIKLSA-N
HMDB47788,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,50H,4-6,8-9,11-14,17,20-23,26,28,30-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-/t50-/m0/s1",QRKMGPSELFIJGR,JRXSUELHSA,N,"TG(14:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z))",QRKMGPSELFIJGR-JRXSUELHSA-N
HMDB47789,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,34,37,50H,4-6,8-9,11-14,17,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-,37-34-/t50-/m0/s1",JIPXOTPWRZEDMY,BLYHWFHKSA,N,"TG(14:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",JIPXOTPWRZEDMY-BLYHWFHKSA-N
HMDB47790,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,31,33,52H,4-6,8-9,11-14,17,20-23,26,29-30,32,34-51H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-31-/t52-/m0/s1",XQRYNXSLFUMURJ,RIUZDWRDSA,N,"TG(14:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",XQRYNXSLFUMURJ-RIUZDWRDSA-N
HMDB47791,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,31,33,39,42,52H,4-6,8-9,11-14,17,20-23,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-31-,42-39-/t52-/m0/s1",ZCZCYCYQZRQYEB,JCCGLGTHSA,N,"TG(14:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZCZCYCYQZRQYEB-JCCGLGTHSA-N
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HMDB47794,802.705040747,C51H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,20,23,48H,4-14,16-17,19,21-22,24-47H2,1-3H3/b18-15-,23-20-/t48-/m0/s1",NINWUFGXSOEEJX,CMRLHVTFSA,N,TG(14:1(9Z)/18:0/16:1(9Z)),NINWUFGXSOEEJX-CMRLHVTFSA-N
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HMDB47798,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,29-30,36,39,52H,4-14,16-17,19-23,25,27-28,31-35,37-38,40-51H2,1-3H3/b18-15-,26-24-,30-29-,39-36-/t52-/m0/s1",TVFCMTYNOLVQKS,HOGHCRPUSA,N,"TG(14:1(9Z)/18:0/20:3(5Z,8Z,11Z))",TVFCMTYNOLVQKS-HOGHCRPUSA-N
HMDB47799,886.798941133,C57H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,24,26,54H,4-14,16-17,19-23,25,27-53H2,1-3H3/b18-15-,26-24-/t54-/m0/s1",CAQVQEAJTQQWAB,JWCKISPSSA,N,TG(14:1(9Z)/18:0/22:1(13Z)),CAQVQEAJTQQWAB-JWCKISPSSA-N
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HMDB47801,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,50H,4-14,17,20-23,25,27-49H2,1-3H3/b18-15-,19-16-,26-24-/t50-/m0/s1",YZIMSURFZCBEPK,URNGJYJMSA,N,"TG(14:1(9Z)/18:0/18:2(9Z,12Z))",YZIMSURFZCBEPK-URNGJYJMSA-N
HMDB47802,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,31,34,50H,4-14,17,20-23,25,27-30,32-33,35-49H2,1-3H3/b18-15-,19-16-,26-24-,34-31-/t50-/m0/s1",JJJFPSASDJDBAA,IKCLBYGGSA,N,"TG(14:1(9Z)/18:0/18:3(6Z,9Z,12Z))",JJJFPSASDJDBAA-IKCLBYGGSA-N
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HMDB47804,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,52H,4-14,17,20-23,25,27-28,31-51H2,1-3H3/b18-15-,19-16-,26-24-,30-29-/t52-/m0/s1",FRRFYNPAOJOMTG,XMHUXDSYSA,N,TG(14:1(9Z)/18:0/20:3n6),FRRFYNPAOJOMTG-XMHUXDSYSA-N
HMDB47805,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,36,39,52H,4-14,17,20-23,25,27-28,31-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,39-36-/t52-/m0/s1",LMDMXKYAEKPMRJ,XKMHHYLWSA,N,"TG(14:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))",LMDMXKYAEKPMRJ-XKMHHYLWSA-N
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HMDB47807,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,28-29,32,35,54H,4-14,17,20-23,25,27,30-31,33-34,36-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,35-32-/t54-/m0/s1",FAEIJJBFHNTKST,FCJLYCLESA,N,"TG(14:1(9Z)/18:0/22:4(7Z,10Z,13Z,16Z))",FAEIJJBFHNTKST-FCJLYCLESA-N
HMDB47808,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,28-29,32,35,41,44,54H,4-14,17,20-23,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,35-32-,44-41-/t54-/m0/s1",GQXBGLLAXPHEOW,LAMRAWLDSA,N,"TG(14:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",GQXBGLLAXPHEOW-LAMRAWLDSA-N
HMDB47809,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,50H,4-6,8-9,11-14,17,20-23,25,27-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-/t50-/m0/s1",AHFFBXZSVOKSCA,SJQHUTKESA,N,"TG(14:1(9Z)/18:0/18:3(9Z,12Z,15Z))",AHFFBXZSVOKSCA-SJQHUTKESA-N
HMDB47810,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,31,34,50H,4-6,8-9,11-14,17,20-23,25,27-30,32-33,35-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,34-31-/t50-/m0/s1",BOWKMRQGYPXYIY,HNKLWCGLSA,N,"TG(14:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z))",BOWKMRQGYPXYIY-HNKLWCGLSA-N
HMDB47811,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,52H,4-6,8-9,11-14,17,20-23,25,27-28,31-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-/t52-/m0/s1",DAAWWDSQUNUMHY,QRSUAQOQSA,N,"TG(14:1(9Z)/18:0/20:4(8Z,11Z,14Z,17Z))",DAAWWDSQUNUMHY-QRSUAQOQSA-N
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HMDB47813,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,32,35,54H,4-6,8-9,11-14,17,20-23,25,27,30-31,33-34,36-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,35-32-/t54-/m0/s1",XEMKEHAWVGNINA,PNPDBVDCSA,N,"TG(14:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",XEMKEHAWVGNINA-PNPDBVDCSA-N
HMDB47814,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,32,35,41,44,54H,4-6,8-9,11-14,17,20-23,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,35-32-,44-41-/t54-/m0/s1",VOOQORHWPZXMAJ,ZBCURWLVSA,N,"TG(14:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VOOQORHWPZXMAJ-ZBCURWLVSA-N
HMDB47815,818.772726384,C53H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-/t51-/m1/s1",CSZCLQTXGLJZPT,WAEMFQRBSA,N,TG(14:1(9Z)/18:0/o-18:0),CSZCLQTXGLJZPT-WAEMFQRBSA-N
HMDB47816,802.70504074,C51H94O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14-15,17-18,48H,4-13,16,19-47H2,1-3H3/b17-14-,18-15-",BBRNBVOOAMVQNW,UBTQEXSZSA,N,TG(14:1(9Z)/20:0/14:1(9Z)),BBRNBVOOAMVQNW-UBTQEXSZSA-N
HMDB47817,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,20,23,50H,4-14,16-17,19,21-22,24-49H2,1-3H3/b18-15-,23-20-/t50-/m0/s1",YNBWCHRVRCYISS,WXVWIONGSA,N,TG(14:1(9Z)/20:0/16:1(9Z)),YNBWCHRVRCYISS-WXVWIONGSA-N
HMDB47818,858.767641004,C55H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-/t52-/m0/s1",ZKPYNXORCXNILY,YKGLDBJZSA,N,TG(14:1(9Z)/20:0/18:1(11Z)),ZKPYNXORCXNILY-YKGLDBJZSA-N
HMDB47819,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,25,28,52H,4-14,16-17,19-24,26-27,29-51H2,1-3H3/b18-15-,28-25-/t52-/m0/s1",YKYFBJWVZLPTTP,GUPVLIFQSA,N,TG(14:1(9Z)/20:0/18:1(9Z)),YKYFBJWVZLPTTP-GUPVLIFQSA-N
HMDB47820,886.798941133,C57H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,54H,4-14,16-17,19-23,25,27-53H2,1-3H3/b18-15-,26-24-/t54-/m0/s1",SSHQULTWICGVDD,JWCKISPSSA,N,TG(14:1(9Z)/20:0/20:1(11Z)),SSHQULTWICGVDD-JWCKISPSSA-N
HMDB47821,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,30,32,38,41,54H,4-14,16-17,19-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b18-15-,26-24-,32-30-,41-38-/t54-/m0/s1",DIKFHEKYQJZAEV,AILMYUQKSA,N,"TG(14:1(9Z)/20:0/20:3(5Z,8Z,11Z))",DIKFHEKYQJZAEV-AILMYUQKSA-N
HMDB47822,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,56H,4-14,16-17,19-23,25,27-55H2,1-3H3/b18-15-,26-24-/t56-/m0/s1",QMOZRBHWRVHQOJ,AZKDRWSUSA,N,TG(14:1(9Z)/20:0/22:1(13Z)),QMOZRBHWRVHQOJ-AZKDRWSUSA-N
HMDB47823,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,58H,4-14,16-17,19-23,25,27-57H2,1-3H3/b18-15-,26-24-/t58-/m0/s1",XJZRZLMCPQTTIU,GWPMROEHSA,N,TG(14:1(9Z)/20:0/24:1(15Z)),XJZRZLMCPQTTIU-GWPMROEHSA-N
HMDB47824,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,28,52H,4-14,16,19,21-24,26-27,29-51H2,1-3H3/b18-15-,20-17-,28-25-/t52-/m0/s1",RFMPQNSSBPXIIY,HLUBQEQQSA,N,"TG(14:1(9Z)/20:0/18:2(9Z,12Z))",RFMPQNSSBPXIIY-HLUBQEQQSA-N
HMDB47825,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,28,33,36,52H,4-14,16,19,21-24,26-27,29-32,34-35,37-51H2,1-3H3/b18-15-,20-17-,28-25-,36-33-/t52-/m0/s1",DEPGGFQZPXHZIM,VAQDBORHSA,N,"TG(14:1(9Z)/20:0/18:3(6Z,9Z,12Z))",DEPGGFQZPXHZIM-VAQDBORHSA-N
HMDB47826,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,54H,4-14,17,20-23,25,27-53H2,1-3H3/b18-15-,19-16-,26-24-/t54-/m0/s1",NUYRINJQOPQTKC,YXBKKIBYSA,N,TG(14:1(9Z)/20:0/20:2n6),NUYRINJQOPQTKC-YXBKKIBYSA-N
HMDB47827,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,54H,4-14,17,20-23,25,27-29,31,33-53H2,1-3H3/b18-15-,19-16-,26-24-,32-30-/t54-/m0/s1",AUEYCFPJLUPBLD,VBAODHEZSA,N,TG(14:1(9Z)/20:0/20:3n6),AUEYCFPJLUPBLD-VBAODHEZSA-N
HMDB47828,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,38,41,54H,4-14,17,20-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b18-15-,19-16-,26-24-,32-30-,41-38-/t54-/m0/s1",FCJIOGHLJHBKRR,KTSHDULSSA,N,"TG(14:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))",FCJIOGHLJHBKRR-KTSHDULSSA-N
HMDB47829,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,56H,4-14,17,20-23,25,27-55H2,1-3H3/b18-15-,19-16-,26-24-/t56-/m0/s1",VIOMRUYKRSGVGA,QJQYXLGISA,N,"TG(14:1(9Z)/20:0/22:2(13Z,16Z))",VIOMRUYKRSGVGA-QJQYXLGISA-N
HMDB47830,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,34,37,56H,4-14,17,20-23,25,27-28,30,32-33,35-36,38-55H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,37-34-/t56-/m0/s1",DQTMHVQJFIEOEI,NPERXNACSA,N,"TG(14:1(9Z)/20:0/22:4(7Z,10Z,13Z,16Z))",DQTMHVQJFIEOEI-NPERXNACSA-N
HMDB47831,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,34,37,43,46,56H,4-14,17,20-23,25,27-28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,37-34-,46-43-/t56-/m0/s1",HMZDIYUKIFHWJO,BXFVCRBJSA,N,"TG(14:1(9Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",HMZDIYUKIFHWJO-BXFVCRBJSA-N
HMDB47832,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,28,52H,4-7,9-10,12-14,16,19,21-24,26-27,29-51H2,1-3H3/b11-8-,18-15-,20-17-,28-25-/t52-/m0/s1",VPYACLAJKZJVLG,QOMXRBJQSA,N,"TG(14:1(9Z)/20:0/18:3(9Z,12Z,15Z))",VPYACLAJKZJVLG-QOMXRBJQSA-N
HMDB47833,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,28,33,36,52H,4-7,9-10,12-14,16,19,21-24,26-27,29-32,34-35,37-51H2,1-3H3/b11-8-,18-15-,20-17-,28-25-,36-33-/t52-/m0/s1",QATNEARFLCYVEE,JVUXECHJSA,N,"TG(14:1(9Z)/20:0/18:4(6Z,9Z,12Z,15Z))",QATNEARFLCYVEE-JVUXECHJSA-N
HMDB47834,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,54H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-/t54-/m0/s1",LKBVKNFLTKNLFF,RWCMAYOLSA,N,"TG(14:1(9Z)/20:0/20:4(8Z,11Z,14Z,17Z))",LKBVKNFLTKNLFF-RWCMAYOLSA-N
HMDB47835,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,38,41,54H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-,41-38-/t54-/m0/s1",MRADHNGGQNMBIT,TWVHKIFASA,N,"TG(14:1(9Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",MRADHNGGQNMBIT-TWVHKIFASA-N
HMDB47836,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,34,37,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-33,35-36,38-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,37-34-/t56-/m0/s1",HHOXMNWYACDQOZ,OOMJFVRLSA,N,"TG(14:1(9Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",HHOXMNWYACDQOZ-OOMJFVRLSA-N
HMDB47837,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,34,37,43,46,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,37-34-,46-43-/t56-/m0/s1",MJMJLVATKSBAIH,RVTGGEHQSA,N,"TG(14:1(9Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MJMJLVATKSBAIH-RVTGGEHQSA-N
HMDB47838,846.804026513,C55H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-/t53-/m1/s1",GHDGDFNAOFOZHH,CYEBCEKSSA,N,TG(14:1(9Z)/20:0/o-18:0),GHDGDFNAOFOZHH-CYEBCEKSSA-N
HMDB47839,830.736340868,C53H98O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14-15,17-18,50H,4-13,16,19-49H2,1-3H3/b17-14-,18-15-",AMXMPWSYLJFUDK,UBTQEXSZSA,N,TG(14:1(9Z)/22:0/14:1(9Z)),AMXMPWSYLJFUDK-UBTQEXSZSA-N
HMDB47840,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-/t52-/m0/s1",MMJCPUXJTDXUGX,YKGLDBJZSA,N,TG(14:1(9Z)/22:0/16:1(9Z)),MMJCPUXJTDXUGX-YKGLDBJZSA-N
HMDB47841,886.798941133,C57H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-/t54-/m0/s1",JGQSMBSWQGYAPJ,ZQJMQWADSA,N,TG(14:1(9Z)/22:0/18:1(11Z)),JGQSMBSWQGYAPJ-ZQJMQWADSA-N
HMDB47842,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,25,30,54H,4-14,16-17,19-24,26-29,31-53H2,1-3H3/b18-15-,30-25-/t54-/m0/s1",DRSLOWRIFBSHHQ,WTGKFRADSA,N,TG(14:1(9Z)/22:0/18:1(9Z)),DRSLOWRIFBSHHQ-WTGKFRADSA-N
HMDB47843,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,56H,4-14,16-17,19-24,26,28-55H2,1-3H3/b18-15-,27-25-/t56-/m0/s1",VOLUUICWFQPQGG,ZUZBGFAESA,N,TG(14:1(9Z)/22:0/20:1(11Z)),VOLUUICWFQPQGG-ZUZBGFAESA-N
HMDB47844,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,32,34,40,43,56H,4-14,16-17,19-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b18-15-,27-25-,34-32-,43-40-/t56-/m0/s1",JVEHGQDQMLWDQL,KKRNSXKMSA,N,"TG(14:1(9Z)/22:0/20:3(5Z,8Z,11Z))",JVEHGQDQMLWDQL-KKRNSXKMSA-N
HMDB47845,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,58H,4-14,16-17,19-23,25,27-57H2,1-3H3/b18-15-,26-24-/t58-/m0/s1",DPOKSOYZNAGELJ,GWPMROEHSA,N,TG(14:1(9Z)/22:0/22:1(13Z)),DPOKSOYZNAGELJ-GWPMROEHSA-N
HMDB47846,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,60H,4-14,16-17,19-23,25,27-59H2,1-3H3/b18-15-,26-24-/t60-/m0/s1",MYYDVRKVUNECKQ,BHTARXBPSA,N,TG(14:1(9Z)/22:0/24:1(15Z)),MYYDVRKVUNECKQ-BHTARXBPSA-N
HMDB47847,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,30,54H,4-14,16,19,21-24,26-29,31-53H2,1-3H3/b18-15-,20-17-,30-25-/t54-/m0/s1",AXFNIIJYCHZARY,ZTIYBWLLSA,N,"TG(14:1(9Z)/22:0/18:2(9Z,12Z))",AXFNIIJYCHZARY-ZTIYBWLLSA-N
HMDB47848,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,30,35,38,54H,4-14,16,19,21-24,26-29,31-34,36-37,39-53H2,1-3H3/b18-15-,20-17-,30-25-,38-35-/t54-/m0/s1",VJRAKLSHWUZUGJ,KQNBKZFHSA,N,"TG(14:1(9Z)/22:0/18:3(6Z,9Z,12Z))",VJRAKLSHWUZUGJ-KQNBKZFHSA-N
HMDB47849,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,56H,4-14,16,19,21-24,26,28-55H2,1-3H3/b18-15-,20-17-,27-25-/t56-/m0/s1",LJVDPHCVFADZFO,NAZKFFSGSA,N,TG(14:1(9Z)/22:0/20:2n6),LJVDPHCVFADZFO-NAZKFFSGSA-N
HMDB47850,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,56H,4-14,16,19,21-24,26,28-31,33,35-55H2,1-3H3/b18-15-,20-17-,27-25-,34-32-/t56-/m0/s1",AHXNHWPATSQHFS,IGVVEUSESA,N,TG(14:1(9Z)/22:0/20:3n6),AHXNHWPATSQHFS-IGVVEUSESA-N
HMDB47851,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,40,43,56H,4-14,16,19,21-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,43-40-/t56-/m0/s1",PDSFGFYYDZFFKK,XWCRHSOKSA,N,"TG(14:1(9Z)/22:0/20:4(5Z,8Z,11Z,14Z))",PDSFGFYYDZFFKK-XWCRHSOKSA-N
HMDB47852,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,58H,4-14,17,20-23,25,27-57H2,1-3H3/b18-15-,19-16-,26-24-/t58-/m0/s1",XORGQMNRBOZGBM,WVHAEAGOSA,N,"TG(14:1(9Z)/22:0/22:2(13Z,16Z))",XORGQMNRBOZGBM-WVHAEAGOSA-N
HMDB47853,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,36,39,58H,4-14,17,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b18-15-,19-16-,26-24-,32-30-,39-36-/t58-/m0/s1",DDZBSNZYVDLNCY,LKFDQDSSSA,N,"TG(14:1(9Z)/22:0/22:4(7Z,10Z,13Z,16Z))",DDZBSNZYVDLNCY-LKFDQDSSSA-N
HMDB47854,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,36,39,45,48,58H,4-14,17,20-23,25,27-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b18-15-,19-16-,26-24-,32-30-,39-36-,48-45-/t58-/m0/s1",KFLDFNNCUHZJBG,YIWXTJPKSA,N,"TG(14:1(9Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",KFLDFNNCUHZJBG-YIWXTJPKSA-N
HMDB47855,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-/t54-/m0/s1",LSLCAMBCQCOKNH,QJGMYCCBSA,N,"TG(14:1(9Z)/22:0/18:3(9Z,12Z,15Z))",LSLCAMBCQCOKNH-QJGMYCCBSA-N
HMDB47856,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,35,38,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-34,36-37,39-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-,38-35-/t54-/m0/s1",HIHQJJVDWLEWFD,VMHSLYIXSA,N,"TG(14:1(9Z)/22:0/18:4(6Z,9Z,12Z,15Z))",HIHQJJVDWLEWFD-VMHSLYIXSA-N
HMDB47857,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,56H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-/t56-/m0/s1",UFXWJCASZGNGFS,BVOMYJIQSA,N,"TG(14:1(9Z)/22:0/20:4(8Z,11Z,14Z,17Z))",UFXWJCASZGNGFS-BVOMYJIQSA-N
HMDB47858,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,40,43,56H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,43-40-/t56-/m0/s1",KEUMNRFILOSMLV,SCPFLYNTSA,N,"TG(14:1(9Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",KEUMNRFILOSMLV-SCPFLYNTSA-N
HMDB47859,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,36,39,58H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-,39-36-/t58-/m0/s1",ILVPMAGHDAIXBF,KBFTUKRUSA,N,"TG(14:1(9Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",ILVPMAGHDAIXBF-KBFTUKRUSA-N
HMDB47860,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,36,39,45,48,58H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-,39-36-,48-45-/t58-/m0/s1",UOCLUTKQUFQWOF,YMDVBUCHSA,N,"TG(14:1(9Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UOCLUTKQUFQWOF-YMDVBUCHSA-N
HMDB47861,874.835326642,C57H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,55H,4-14,16-17,19-54H2,1-3H3/b18-15-/t55-/m1/s1",YIPJUHYAYCZWRJ,IIYWXNMISA,N,TG(14:1(9Z)/22:0/o-18:0),YIPJUHYAYCZWRJ-IIYWXNMISA-N
HMDB47862,858.767640996,C55H102O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3/h14-15,17-18,52H,4-13,16,19-51H2,1-3H3/b17-14-,18-15-",PGWLWMJPAQJFAH,UBTQEXSZSA,N,TG(14:1(9Z)/24:0/14:1(9Z)),PGWLWMJPAQJFAH-UBTQEXSZSA-N
HMDB47863,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-/t54-/m0/s1",UMPMUFYRIIYAPH,ZQJMQWADSA,N,TG(14:1(9Z)/24:0/16:1(9Z)),UMPMUFYRIIYAPH-ZQJMQWADSA-N
HMDB47864,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,20,23,56H,4-14,16-17,19,21-22,24-55H2,1-3H3/b18-15-,23-20-/t56-/m0/s1",ZQMZDXCKJADKAC,CQKAMUCVSA,N,TG(14:1(9Z)/24:0/18:1(11Z)),ZQMZDXCKJADKAC-CQKAMUCVSA-N
HMDB47865,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,25,32,56H,4-14,16-17,19-24,26-31,33-55H2,1-3H3/b18-15-,32-25-/t56-/m0/s1",UDBFLEBTRNBEBZ,LRLWVPGOSA,N,TG(14:1(9Z)/24:0/18:1(9Z)),UDBFLEBTRNBEBZ-LRLWVPGOSA-N
HMDB47866,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,58H,4-14,16-17,19-24,26,28-57H2,1-3H3/b18-15-,27-25-/t58-/m0/s1",PVJPHQHSWUWAQJ,YTGWZONKSA,N,TG(14:1(9Z)/24:0/20:1(11Z)),PVJPHQHSWUWAQJ-YTGWZONKSA-N
HMDB47867,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,34,36,42,45,58H,4-14,16-17,19-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b18-15-,27-25-,36-34-,45-42-/t58-/m0/s1",RQHDZVBUHNJLAI,CBPFIWIXSA,N,"TG(14:1(9Z)/24:0/20:3(5Z,8Z,11Z))",RQHDZVBUHNJLAI-CBPFIWIXSA-N
HMDB47868,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,60H,4-14,16-17,19-24,26,28-59H2,1-3H3/b18-15-,27-25-/t60-/m0/s1",PASXLGNHMHBIKZ,PQHWJMJOSA,N,TG(14:1(9Z)/24:0/22:1(13Z)),PASXLGNHMHBIKZ-PQHWJMJOSA-N
HMDB47869,998.924141648,C65H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,62H,4-14,16-17,19-23,25,27-61H2,1-3H3/b18-15-,26-24-/t62-/m0/s1",BIVFKPQDRWUAAR,FDAHEKDHSA,N,TG(14:1(9Z)/24:0/24:1(15Z)),BIVFKPQDRWUAAR-FDAHEKDHSA-N
HMDB47870,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,32,56H,4-14,16,19,21-24,26-31,33-55H2,1-3H3/b18-15-,20-17-,32-25-/t56-/m0/s1",JDYXVXLTAUMYNN,VLRSSIBOSA,N,"TG(14:1(9Z)/24:0/18:2(9Z,12Z))",JDYXVXLTAUMYNN-VLRSSIBOSA-N
HMDB47871,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,32,37,40,56H,4-14,16,19,21-24,26-31,33-36,38-39,41-55H2,1-3H3/b18-15-,20-17-,32-25-,40-37-/t56-/m0/s1",PIPMNIMXQPHOFJ,NPMYHOSZSA,N,"TG(14:1(9Z)/24:0/18:3(6Z,9Z,12Z))",PIPMNIMXQPHOFJ-NPMYHOSZSA-N
HMDB47872,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,58H,4-14,16,19,21-24,26,28-57H2,1-3H3/b18-15-,20-17-,27-25-/t58-/m0/s1",ZJPRUJQVOSHYAD,FOKIDFPCSA,N,TG(14:1(9Z)/24:0/20:2n6),ZJPRUJQVOSHYAD-FOKIDFPCSA-N
HMDB47873,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,34,36,58H,4-14,16,19,21-24,26,28-33,35,37-57H2,1-3H3/b18-15-,20-17-,27-25-,36-34-/t58-/m0/s1",VARKWBYIQXSEHP,DQRLJEGTSA,N,TG(14:1(9Z)/24:0/20:3n6),VARKWBYIQXSEHP-DQRLJEGTSA-N
HMDB47874,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,34,36,42,45,58H,4-14,16,19,21-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b18-15-,20-17-,27-25-,36-34-,45-42-/t58-/m0/s1",XLAAOSVJKOIFEQ,MTTGGAOESA,N,"TG(14:1(9Z)/24:0/20:4(5Z,8Z,11Z,14Z))",XLAAOSVJKOIFEQ-MTTGGAOESA-N
HMDB47875,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,60H,4-14,16,19,21-24,26,28-59H2,1-3H3/b18-15-,20-17-,27-25-/t60-/m0/s1",JVIIPAKFIVOQGP,MGVDFNTRSA,N,"TG(14:1(9Z)/24:0/22:2(13Z,16Z))",JVIIPAKFIVOQGP-MGVDFNTRSA-N
HMDB47876,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,38,41,60H,4-14,16,19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,41-38-/t60-/m0/s1",PPKIZYUIIFPNOZ,CJLXBWGESA,N,"TG(14:1(9Z)/24:0/22:4(7Z,10Z,13Z,16Z))",PPKIZYUIIFPNOZ-CJLXBWGESA-N
HMDB47877,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,38,41,47,50,60H,4-14,16,19,21-24,26,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,41-38-,50-47-/t60-/m0/s1",LOQLDSZRHWTGNQ,SLKRHJEASA,N,"TG(14:1(9Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",LOQLDSZRHWTGNQ-SLKRHJEASA-N
HMDB47878,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-/t56-/m0/s1",XKGYYPAZLGDKTD,TWSWKRFMSA,N,"TG(14:1(9Z)/24:0/18:3(9Z,12Z,15Z))",XKGYYPAZLGDKTD-TWSWKRFMSA-N
HMDB47879,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,37,40,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-36,38-39,41-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-,40-37-/t56-/m0/s1",IKQRBXORFJIXMH,BBYMTRNESA,N,"TG(14:1(9Z)/24:0/18:4(6Z,9Z,12Z,15Z))",IKQRBXORFJIXMH-BBYMTRNESA-N
HMDB47880,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,34,36,58H,4-7,9-10,12-14,16,19,21-24,26,28-33,35,37-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,36-34-/t58-/m0/s1",HPRBHOWWEYSFIW,ASHFJHAGSA,N,"TG(14:1(9Z)/24:0/20:4(8Z,11Z,14Z,17Z))",HPRBHOWWEYSFIW-ASHFJHAGSA-N
HMDB47881,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,34,36,42,45,58H,4-7,9-10,12-14,16,19,21-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,36-34-,45-42-/t58-/m0/s1",NCDJVMOSWCPHLX,CPODDNLESA,N,"TG(14:1(9Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",NCDJVMOSWCPHLX-CPODDNLESA-N
HMDB47882,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,38,41,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,41-38-/t60-/m0/s1",RDIKTUSAPKAQOH,HSLIIHMISA,N,"TG(14:1(9Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",RDIKTUSAPKAQOH-HSLIIHMISA-N
HMDB47883,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,38,41,47,50,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,41-38-,50-47-/t60-/m0/s1",KBTZJJQBBPXQHW,HSSQQNCZSA,N,"TG(14:1(9Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KBTZJJQBBPXQHW-HSSQQNCZSA-N
HMDB47884,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h15,18,57H,4-14,16-17,19-56H2,1-3H3/b18-15-/t57-/m1/s1",IFAFZYRLCMKOIJ,WYUVFQPTSA,N,TG(14:1(9Z)/24:0/o-18:0),IFAFZYRLCMKOIJ-WYUVFQPTSA-N
HMDB47885,716.595490292,C45H80O6,CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C45H80O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h13-18,42H,4-12,19-41H2,1-3H3/b16-13-,17-14-,18-15-",JNMDCUOOYCRSIP,WLFVLELZSA,N,TG(14:1(9Z)/14:1(9Z)/14:1(9Z)),JNMDCUOOYCRSIP-WLFVLELZSA-N
HMDB47886,744.626790425,C47H84O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C47H84O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14-15,17-19,22,44H,4-13,16,20-21,23-43H2,1-3H3/b17-14-,18-15-,22-19-/t44-/m0/s1",SVKNSUKRPRJLMQ,QSDZTSERSA,N,TG(14:1(9Z)/14:1(9Z)/16:1(9Z)),SVKNSUKRPRJLMQ-QSDZTSERSA-N
HMDB47887,772.658090554,C49H88O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14-15,17-19,22,46H,4-13,16,20-21,23-45H2,1-3H3/b17-14-,18-15-,22-19-/t46-/m0/s1",AZXHNJLLQHJYIJ,GNSDPRPSSA,N,TG(14:1(9Z)/14:1(9Z)/18:1(11Z)),AZXHNJLLQHJYIJ-GNSDPRPSSA-N
HMDB47888,772.658090554,C49H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14-15,17-18,23-24,46H,4-13,16,19-22,25-45H2,1-3H3/b17-14-,18-15-,24-23-/t46-/m0/s1",HJIZNJRPXDDICY,YBOBTURESA,N,TG(14:1(9Z)/14:1(9Z)/18:1(9Z)),HJIZNJRPXDDICY-YBOBTURESA-N
HMDB47889,800.689390682,C51H92O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14-15,17-18,23-24,48H,4-13,16,19-22,25-47H2,1-3H3/b17-14-,18-15-,24-23-/t48-/m0/s1",BPVUUWFAICALOI,ZHROJFFSSA,N,TG(14:1(9Z)/14:1(9Z)/20:1(11Z)),BPVUUWFAICALOI-ZHROJFFSSA-N
HMDB47890,796.658090554,C51H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14-15,17-18,23-24,26-27,32,35,48H,4-13,16,19-22,25,28-31,33-34,36-47H2,1-3H3/b17-14-,18-15-,24-23-,27-26-,35-32-/t48-/m0/s1",ZZEWCYWYWHLRDC,WBAVZLKMSA,N,"TG(14:1(9Z)/14:1(9Z)/20:3(5Z,8Z,11Z))",ZZEWCYWYWHLRDC-WBAVZLKMSA-N
HMDB47891,828.720690811,C53H96O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14-15,17-18,23-24,50H,4-13,16,19-22,25-49H2,1-3H3/b17-14-,18-15-,24-23-/t50-/m0/s1",BYLMMYXAYCVFSY,YZGJDJGMSA,N,TG(14:1(9Z)/14:1(9Z)/22:1(13Z)),BYLMMYXAYCVFSY-YZGJDJGMSA-N
HMDB47892,856.75199094,C55H100O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h14-15,17-18,23-24,52H,4-13,16,19-22,25-51H2,1-3H3/b17-14-,18-15-,24-23-/t52-/m0/s1",DTWPBANPCJFNIA,QNOCGCPESA,N,TG(14:1(9Z)/14:1(9Z)/24:1(15Z)),DTWPBANPCJFNIA-QNOCGCPESA-N
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HMDB47894,768.626790425,C49H84O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14-19,23-24,28,30,46H,4-13,20-22,25-27,29,31-45H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,30-28-/t46-/m0/s1",CPIXRZFWFWDKCP,LYCBXNIXSA,N,"TG(14:1(9Z)/14:1(9Z)/18:3(6Z,9Z,12Z))",CPIXRZFWFWDKCP-LYCBXNIXSA-N
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HMDB47902,766.61114036,C49H82O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C49H82O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,14-19,23-24,28,30,46H,4-6,8-9,11-13,20-22,25-27,29,31-45H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,30-28-/t46-/m0/s1",RBELTXOGDIMPCU,UMZLANGRSA,N,"TG(14:1(9Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",RBELTXOGDIMPCU-UMZLANGRSA-N
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HMDB47916,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,48H,4-14,17,21-22,26-47H2,1-3H3/b18-15-,19-16-,23-20-,25-24-/t48-/m0/s1",XPYGWWVHYLRURU,PZMZSIAASA,N,"TG(14:1(9Z)/16:1(9Z)/18:2(9Z,12Z))",XPYGWWVHYLRURU-PZMZSIAASA-N
HMDB47917,796.658090554,C51H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,29,32,48H,4-14,17,21-22,26-28,30-31,33-47H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,32-29-/t48-/m0/s1",ZEUQOKOKLZTLSB,NXGYNRPSSA,N,"TG(14:1(9Z)/16:1(9Z)/18:3(6Z,9Z,12Z))",ZEUQOKOKLZTLSB-NXGYNRPSSA-N
HMDB47918,826.705040747,C53H94O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,50H,4-14,17,21-22,26-49H2,1-3H3/b18-15-,19-16-,23-20-,25-24-/t50-/m0/s1",BVEHBZABGSQPIA,PFHOFWFYSA,N,TG(14:1(9Z)/16:1(9Z)/20:2n6),BVEHBZABGSQPIA-PFHOFWFYSA-N
HMDB47919,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27,29,50H,4-14,17,21-22,26,28,30-49H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,29-27-/t50-/m0/s1",NVAQZTZMHJIDEP,PSGJQMJSSA,N,TG(14:1(9Z)/16:1(9Z)/20:3n6),NVAQZTZMHJIDEP-PSGJQMJSSA-N
HMDB47920,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27,29,34,37,50H,4-14,17,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,29-27-,37-34-/t50-/m0/s1",JDAXUBRZAOKTCW,YSDREPDFSA,N,"TG(14:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",JDAXUBRZAOKTCW-YSDREPDFSA-N
HMDB47921,854.736340876,C55H98O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,52H,4-14,17,21-22,26-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-/t52-/m0/s1",PFNLQSABTWLLKA,NZNUXFJPSA,N,"TG(14:1(9Z)/16:1(9Z)/22:2(13Z,16Z))",PFNLQSABTWLLKA-NZNUXFJPSA-N
HMDB47922,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-28,31,33,52H,4-14,17,21-22,26,29-30,32,34-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,28-27-,33-31-/t52-/m0/s1",XFIINVKFPHUREK,OUTFUVQISA,N,"TG(14:1(9Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",XFIINVKFPHUREK-OUTFUVQISA-N
HMDB47923,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-28,31,33,39,42,52H,4-14,17,21-22,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,28-27-,33-31-,42-39-/t52-/m0/s1",UDYYUTLGHSGGGL,QRAOMLNUSA,N,"TG(14:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UDYYUTLGHSGGGL-QRAOMLNUSA-N
HMDB47924,796.658090554,C51H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,48H,4-6,8-9,11-14,17,21-22,26-47H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-/t48-/m0/s1",ZFCWRLVKQZYVPK,AQZIKWCJSA,N,"TG(14:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",ZFCWRLVKQZYVPK-AQZIKWCJSA-N
HMDB47925,794.642440489,C51H86O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,29,32,48H,4-6,8-9,11-14,17,21-22,26-28,30-31,33-47H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,32-29-/t48-/m0/s1",XJYQTXHQPSGVGJ,AFJOCXLCSA,N,"TG(14:1(9Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",XJYQTXHQPSGVGJ-AFJOCXLCSA-N
HMDB47926,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27,29,50H,4-6,8-9,11-14,17,21-22,26,28,30-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,29-27-/t50-/m0/s1",NNCIENCMYHMWTJ,MGPGTIGRSA,N,"TG(14:1(9Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",NNCIENCMYHMWTJ-MGPGTIGRSA-N
HMDB47927,820.658090554,C53H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27,29,34,37,50H,4-6,8-9,11-14,17,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,29-27-,37-34-/t50-/m0/s1",NJRYIFTWZBXKAR,MTLWWKSZSA,N,"TG(14:1(9Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NJRYIFTWZBXKAR-MTLWWKSZSA-N
HMDB47928,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,33,52H,4-6,8-9,11-14,17,21-22,26,29-30,32,34-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,33-31-/t52-/m0/s1",PPKWPZSSYUYKDG,ZKPGBSBWSA,N,"TG(14:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PPKWPZSSYUYKDG-ZKPGBSBWSA-N
HMDB47929,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,33,39,42,52H,4-6,8-9,11-14,17,21-22,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,33-31-,42-39-/t52-/m0/s1",CXMIOWMHEHIKQH,ZQGLDDBGSA,N,"TG(14:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CXMIOWMHEHIKQH-ZQGLDDBGSA-N
HMDB47930,788.725776191,C51H96O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H96O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(48-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h15,18,20,23,49H,4-14,16-17,19,21-22,24-48H2,1-3H3/b18-15-,23-20-/t49-/m1/s1",IVPDKWXLDJLQJT,ONIRNZKQSA,N,TG(14:1(9Z)/16:1(9Z)/o-18:0),IVPDKWXLDJLQJT-ONIRNZKQSA-N
HMDB47931,772.658090548,C49H88O6,CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14-15,17-19,22,46H,4-13,16,20-21,23-45H2,1-3H3/b17-14-,18-15-,22-19-",SYSKLAIRGOCKIV,SASKFMPESA,N,TG(14:1(9Z)/18:1(11Z)/14:1(9Z)),SYSKLAIRGOCKIV-SASKFMPESA-N
HMDB47932,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18-20,22-23,48H,4-14,16-17,21,24-47H2,1-3H3/b18-15-,22-19-,23-20-/t48-/m0/s1",QITJWJYUZMVPGX,MEZJTOHCSA,N,TG(14:1(9Z)/18:1(11Z)/16:1(9Z)),QITJWJYUZMVPGX-MEZJTOHCSA-N
HMDB47933,828.720690811,C53H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-20,22-23,50H,4-14,16-17,21,24-49H2,1-3H3/b18-15-,22-19-,23-20-/t50-/m0/s1",PDEZZEMGXYWPSQ,NDBSQUMWSA,N,TG(14:1(9Z)/18:1(11Z)/18:1(11Z)),PDEZZEMGXYWPSQ-NDBSQUMWSA-N
HMDB47934,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,50H,4-14,16-17,19,21-22,25,27-49H2,1-3H3/b18-15-,23-20-,26-24-/t50-/m0/s1",YGPIHWFOMYWSDM,WLFVIRIGSA,N,TG(14:1(9Z)/18:1(11Z)/18:1(9Z)),YGPIHWFOMYWSDM-WLFVIRIGSA-N
HMDB47935,856.75199094,C55H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,52H,4-14,16-17,19,21-22,25,27-51H2,1-3H3/b18-15-,23-20-,26-24-/t52-/m0/s1",MGUXHCYCFLVGES,WWAUBUJQSA,N,TG(14:1(9Z)/18:1(11Z)/20:1(11Z)),MGUXHCYCFLVGES-WWAUBUJQSA-N
HMDB47936,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,29-30,36,39,52H,4-14,16-17,19,21-22,25,27-28,31-35,37-38,40-51H2,1-3H3/b18-15-,23-20-,26-24-,30-29-,39-36-/t52-/m0/s1",QGLNBMRMNJAFOO,MBMJTBHTSA,N,"TG(14:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z))",QGLNBMRMNJAFOO-MBMJTBHTSA-N
HMDB47937,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,54H,4-14,16-17,19,21-22,25,27-53H2,1-3H3/b18-15-,23-20-,26-24-/t54-/m0/s1",WUTNRLSFTGCBMN,QSCSLWOISA,N,TG(14:1(9Z)/18:1(11Z)/22:1(13Z)),WUTNRLSFTGCBMN-QSCSLWOISA-N
HMDB47938,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,56H,4-14,16-17,19,21-22,25,27-55H2,1-3H3/b18-15-,23-20-,26-24-/t56-/m0/s1",WQAJWHIWAUDSKZ,ZWZMWFROSA,N,TG(14:1(9Z)/18:1(11Z)/24:1(15Z)),WQAJWHIWAUDSKZ-ZWZMWFROSA-N
HMDB47939,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,50H,4-14,17,21-22,25,27-49H2,1-3H3/b18-15-,19-16-,23-20-,26-24-/t50-/m0/s1",LLKTXUYUMOPMGH,IKWNLAHBSA,N,"TG(14:1(9Z)/18:1(11Z)/18:2(9Z,12Z))",LLKTXUYUMOPMGH-IKWNLAHBSA-N
HMDB47940,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,31,34,50H,4-14,17,21-22,25,27-30,32-33,35-49H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,34-31-/t50-/m0/s1",AIDIZMINHQJHSC,VPJIUCHESA,N,"TG(14:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))",AIDIZMINHQJHSC-VPJIUCHESA-N
HMDB47941,854.736340876,C55H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,52H,4-14,17,21-22,25,27-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-/t52-/m0/s1",HNZBBTSQJUAAOO,LYSVIRBISA,N,TG(14:1(9Z)/18:1(11Z)/20:2n6),HNZBBTSQJUAAOO-LYSVIRBISA-N
HMDB47942,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,29-30,52H,4-14,17,21-22,25,27-28,31-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,30-29-/t52-/m0/s1",NKWRAFYNNIEZPH,LLQMOOPJSA,N,TG(14:1(9Z)/18:1(11Z)/20:3n6),NKWRAFYNNIEZPH-LLQMOOPJSA-N
HMDB47943,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,29-30,36,39,52H,4-14,17,21-22,25,27-28,31-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,30-29-,39-36-/t52-/m0/s1",MTAJSAHEJCJMBV,KDIORKDASA,N,"TG(14:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",MTAJSAHEJCJMBV-KDIORKDASA-N
HMDB47944,882.767641004,C57H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,54H,4-14,17,21-22,25,27-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-/t54-/m0/s1",XUSMNDFFJSIIQR,PVVBFDGQSA,N,"TG(14:1(9Z)/18:1(11Z)/22:2(13Z,16Z))",XUSMNDFFJSIIQR-PVVBFDGQSA-N
HMDB47945,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,32,35,54H,4-14,17,21-22,25,27,30-31,33-34,36-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,35-32-/t54-/m0/s1",YBGGFAZLXGHWOH,LHEFKLHYSA,N,"TG(14:1(9Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",YBGGFAZLXGHWOH-LHEFKLHYSA-N
HMDB47946,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,32,35,41,44,54H,4-14,17,21-22,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,35-32-,44-41-/t54-/m0/s1",SGWXYGURMKIDEE,BRLAAMSZSA,N,"TG(14:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SGWXYGURMKIDEE-BRLAAMSZSA-N
HMDB47947,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,50H,4-6,8-9,11-14,17,21-22,25,27-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-/t50-/m0/s1",ABGRUYNDYRTJMT,QVVUEZGUSA,N,"TG(14:1(9Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",ABGRUYNDYRTJMT-QVVUEZGUSA-N
HMDB47948,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,31,34,50H,4-6,8-9,11-14,17,21-22,25,27-30,32-33,35-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,34-31-/t50-/m0/s1",DYPFBEDFYUEOHH,UKHOGNENSA,N,"TG(14:1(9Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",DYPFBEDFYUEOHH-UKHOGNENSA-N
HMDB47949,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,29-30,52H,4-6,8-9,11-14,17,21-22,25,27-28,31-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,30-29-/t52-/m0/s1",MPNNRPPXKOFJLR,MNZAAIMESA,N,"TG(14:1(9Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",MPNNRPPXKOFJLR-MNZAAIMESA-N
HMDB47950,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,29-30,36,39,52H,4-6,8-9,11-14,17,21-22,25,27-28,31-35,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,30-29-,39-36-/t52-/m0/s1",GNPPNSMZEKADNY,WGMWKNCGSA,N,"TG(14:1(9Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",GNPPNSMZEKADNY-WGMWKNCGSA-N
HMDB47951,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,32,35,54H,4-6,8-9,11-14,17,21-22,25,27,30-31,33-34,36-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,35-32-/t54-/m0/s1",HHGANNQOFMFXAY,LOEDKQDJSA,N,"TG(14:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HHGANNQOFMFXAY-LOEDKQDJSA-N
HMDB47952,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,32,35,41,44,54H,4-6,8-9,11-14,17,21-22,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,35-32-,44-41-/t54-/m0/s1",IDJPYWMAXHDOKO,UYYPMDPRSA,N,"TG(14:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IDJPYWMAXHDOKO-UYYPMDPRSA-N
HMDB47953,816.75707632,C53H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,51H,4-14,16-17,19,21-22,24-50H2,1-3H3/b18-15-,23-20-/t51-/m1/s1",AEZVXOVFWPFQHQ,SVLPHVQZSA,N,TG(14:1(9Z)/18:1(11Z)/o-18:0),AEZVXOVFWPFQHQ-SVLPHVQZSA-N
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HMDB47955,800.689390682,C51H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,20,23-25,48H,4-14,16-17,19,21-22,26-47H2,1-3H3/b18-15-,23-20-,25-24-/t48-/m0/s1",YHUNHDKSPPHTIW,IFLRWYQZSA,N,TG(14:1(9Z)/18:1(9Z)/16:1(9Z)),YHUNHDKSPPHTIW-IFLRWYQZSA-N
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HMDB47960,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,24-26,30,54H,4-14,16-17,19-23,27-29,31-53H2,1-3H3/b18-15-,26-24-,30-25-/t54-/m0/s1",GBTKABUIAQMAPV,JEQUJCETSA,N,TG(14:1(9Z)/18:1(9Z)/22:1(13Z)),GBTKABUIAQMAPV-JEQUJCETSA-N
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HMDB47966,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,36,39,52H,4-14,17,20-23,27,31-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,26-24-,28-25-,30-29-,39-36-/t52-/m0/s1",DRMWFBLWJOLCQA,FCNIINSPSA,N,"TG(14:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",DRMWFBLWJOLCQA-FCNIINSPSA-N
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HMDB47968,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,32,35,54H,4-14,17,20-23,27,31,33-34,36-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,30-25-,35-32-/t54-/m0/s1",PSXVDMHVIJTXKU,GZHFRLJBSA,N,"TG(14:1(9Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",PSXVDMHVIJTXKU-GZHFRLJBSA-N
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HMDB47970,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,50H,4-6,8-9,11-14,17,20-23,28-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-/t50-/m0/s1",FRNGXGLTUFWOSZ,JJHPPCDOSA,N,"TG(14:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",FRNGXGLTUFWOSZ-JJHPPCDOSA-N
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HMDB47975,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,32,35,41,44,54H,4-6,8-9,11-14,17,20-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,30-25-,35-32-,44-41-/t54-/m0/s1",KXYNZIYEUCUDTK,LAVZCGHOSA,N,"TG(14:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KXYNZIYEUCUDTK-LAVZCGHOSA-N
HMDB47976,816.75707632,C53H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,51H,4-14,16-17,19-24,26,28-50H2,1-3H3/b18-15-,27-25-/t51-/m1/s1",CKLBFOVCCVDSSZ,KHBXOQJOSA,N,TG(14:1(9Z)/18:1(9Z)/o-18:0),CKLBFOVCCVDSSZ-KHBXOQJOSA-N
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HMDB47978,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,20,23-25,50H,4-14,16-17,19,21-22,26-49H2,1-3H3/b18-15-,23-20-,25-24-/t50-/m0/s1",ACOKYIPSNAEZJR,QAJHFFRHSA,N,TG(14:1(9Z)/20:1(11Z)/16:1(9Z)),ACOKYIPSNAEZJR-QAJHFFRHSA-N
HMDB47979,856.75199094,C55H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,52H,4-14,16-17,19,21-22,25,27-51H2,1-3H3/b18-15-,23-20-,26-24-/t52-/m0/s1",HWXYJCBLRIWFEE,WWAUBUJQSA,N,TG(14:1(9Z)/20:1(11Z)/18:1(11Z)),HWXYJCBLRIWFEE-WWAUBUJQSA-N
HMDB47980,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24-26,28,52H,4-14,16-17,19-23,27,29-51H2,1-3H3/b18-15-,26-24-,28-25-/t52-/m0/s1",YMPDPPQASWDPRK,GAAGLFOXSA,N,TG(14:1(9Z)/20:1(11Z)/18:1(9Z)),YMPDPPQASWDPRK-GAAGLFOXSA-N
HMDB47981,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,54H,4-14,16-17,19-23,28-53H2,1-3H3/b18-15-,26-24-,27-25-/t54-/m0/s1",OPZBOXKFTDVAOR,JXQORKFYSA,N,TG(14:1(9Z)/20:1(11Z)/20:1(11Z)),OPZBOXKFTDVAOR-JXQORKFYSA-N
HMDB47982,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,30,32,38,41,54H,4-14,16-17,19-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b18-15-,26-24-,27-25-,32-30-,41-38-/t54-/m0/s1",DHQUEWMLMFUPTL,YSSJDGIJSA,N,"TG(14:1(9Z)/20:1(11Z)/20:3(5Z,8Z,11Z))",DHQUEWMLMFUPTL-YSSJDGIJSA-N
HMDB47983,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,56H,4-14,16-17,19-23,28-55H2,1-3H3/b18-15-,26-24-,27-25-/t56-/m0/s1",RQSCALOKAHSABR,UPPKVXKMSA,N,TG(14:1(9Z)/20:1(11Z)/22:1(13Z)),RQSCALOKAHSABR-UPPKVXKMSA-N
HMDB47984,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,58H,4-14,16-17,19-23,28-57H2,1-3H3/b18-15-,26-24-,27-25-/t58-/m0/s1",UVNIPBFYITWPNW,KCPLLMEXSA,N,TG(14:1(9Z)/20:1(11Z)/24:1(15Z)),UVNIPBFYITWPNW-KCPLLMEXSA-N
HMDB47985,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,28,52H,4-14,16,19,21-23,27,29-51H2,1-3H3/b18-15-,20-17-,26-24-,28-25-/t52-/m0/s1",VDFIIYDUJLKRSZ,VUQJOJETSA,N,"TG(14:1(9Z)/20:1(11Z)/18:2(9Z,12Z))",VDFIIYDUJLKRSZ-VUQJOJETSA-N
HMDB47986,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,28,33,36,52H,4-14,16,19,21-23,27,29-32,34-35,37-51H2,1-3H3/b18-15-,20-17-,26-24-,28-25-,36-33-/t52-/m0/s1",WYUKTVBUNYZEPG,UKGLDPHJSA,N,"TG(14:1(9Z)/20:1(11Z)/18:3(6Z,9Z,12Z))",WYUKTVBUNYZEPG-UKGLDPHJSA-N
HMDB47987,882.767641004,C57H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,54H,4-14,17,20-23,28-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-/t54-/m0/s1",BGODCVGWEBYLGN,UTXPKRQLSA,N,TG(14:1(9Z)/20:1(11Z)/20:2n6),BGODCVGWEBYLGN-UTXPKRQLSA-N
HMDB47988,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,54H,4-14,17,20-23,28-29,31,33-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-/t54-/m0/s1",BCMHHAAVHIRHKO,XLWYRELXSA,N,TG(14:1(9Z)/20:1(11Z)/20:3n6),BCMHHAAVHIRHKO-XLWYRELXSA-N
HMDB47989,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,38,41,54H,4-14,17,20-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,41-38-/t54-/m0/s1",FWEYWBCVKNAPDM,KVTHUSLPSA,N,"TG(14:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",FWEYWBCVKNAPDM-KVTHUSLPSA-N
HMDB47990,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,56H,4-14,17,20-23,28-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-/t56-/m0/s1",ZYWLXRUXJLPKJH,SUTRYUEYSA,N,"TG(14:1(9Z)/20:1(11Z)/22:2(13Z,16Z))",ZYWLXRUXJLPKJH-SUTRYUEYSA-N
HMDB47991,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,34,37,56H,4-14,17,20-23,28,30,32-33,35-36,38-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,37-34-/t56-/m0/s1",OVLIJZSOJQWFEB,MWFGLFJZSA,N,"TG(14:1(9Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",OVLIJZSOJQWFEB-MWFGLFJZSA-N
HMDB47992,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,34,37,43,46,56H,4-14,17,20-23,28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,37-34-,46-43-/t56-/m0/s1",TZCGKUHQZHBWHY,XPDJVYBSSA,N,"TG(14:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",TZCGKUHQZHBWHY-XPDJVYBSSA-N
HMDB47993,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28,52H,4-7,9-10,12-14,16,19,21-23,27,29-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-/t52-/m0/s1",TYVUFKFTHSFXIT,XDBIBJELSA,N,"TG(14:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",TYVUFKFTHSFXIT-XDBIBJELSA-N
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HMDB48012,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30-33,38-39,41-42,54H,4-14,17,20-23,28-29,34-37,40,43-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",WFZAHHBWWXAMAB,XLQGRWPOSA,N,"TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",WFZAHHBWWXAMAB-XLQGRWPOSA-N
HMDB48013,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,33,35,41,44,56H,4-14,17,20-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,35-33-,44-41-/t56-/m0/s1",XARQBPHTXZGROT,RHMNPREVSA,N,"TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",XARQBPHTXZGROT-RHMNPREVSA-N
HMDB48014,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,33-35,37,41,44,56H,4-14,17,20-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-/t56-/m0/s1",ZASCLESZIWXBTI,QZDUEFKTSA,N,"TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",ZASCLESZIWXBTI-QZDUEFKTSA-N
HMDB48015,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,33-35,37,41,43-44,46,56H,4-14,17,20-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-/t56-/m0/s1",HASCFYSLDYFKJC,LAOBDLPTSA,N,"TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HASCFYSLDYFKJC-LAOBDLPTSA-N
HMDB48016,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28-29,31,37,40,52H,4-7,9-10,12-14,16,19,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",WYOWWIXBOZNCHI,HVSAFRTHSA,N,"TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",WYOWWIXBOZNCHI-HVSAFRTHSA-N
HMDB48017,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28-29,31,33,36-37,40,52H,4-7,9-10,12-14,16,19,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-/t52-/m0/s1",PPTDRDIWUFQBQP,HSAVOIBOSA,N,"TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",PPTDRDIWUFQBQP-HSAVOIBOSA-N
HMDB48018,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30-33,39,42,54H,4-6,8-9,11-14,17,20-23,28-29,34-38,40-41,43-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,33-31-,42-39-/t54-/m0/s1",CEVNMANSTYVBQD,ADPAEPTRSA,N,"TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",CEVNMANSTYVBQD-ADPAEPTRSA-N
HMDB48019,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30-33,38-39,41-42,54H,4-6,8-9,11-14,17,20-23,28-29,34-37,40,43-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",OXZGJPXADBCIAD,WDGCRCCESA,N,"TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",OXZGJPXADBCIAD-WDGCRCCESA-N
HMDB48020,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,33-35,37,41,44,56H,4-6,8-9,11-14,17,20-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-/t56-/m0/s1",XNDJLJYFFTWUTN,HBEPBMFUSA,N,"TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XNDJLJYFFTWUTN-HBEPBMFUSA-N
HMDB48021,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,8-9,11-14,17,20-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-/t56-/m0/s1",ZZSARMPYYFITCS,LNGDICPNSA,N,"TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZZSARMPYYFITCS-LNGDICPNSA-N
HMDB48022,840.75707632,C55H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,37,40,53H,4-14,16-17,19-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b18-15-,26-24-,31-29-,40-37-/t53-/m1/s1",KRXYAVKIXLLAGF,MQIGZLTQSA,N,"TG(14:1(9Z)/20:3(5Z,8Z,11Z)/o-18:0)",KRXYAVKIXLLAGF-MQIGZLTQSA-N
HMDB48023,828.720690804,C53H96O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14-15,17-18,23-24,50H,4-13,16,19-22,25-49H2,1-3H3/b17-14-,18-15-,24-23-",CMXZASKHUWJKGX,HAOPMPSJSA,N,TG(14:1(9Z)/22:1(13Z)/14:1(9Z)),CMXZASKHUWJKGX-HAOPMPSJSA-N
HMDB48024,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,20,23-25,52H,4-14,16-17,19,21-22,26-51H2,1-3H3/b18-15-,23-20-,25-24-/t52-/m0/s1",WUUWBWLVYRBSQT,RUTWIJPDSA,N,TG(14:1(9Z)/22:1(13Z)/16:1(9Z)),WUUWBWLVYRBSQT-RUTWIJPDSA-N
HMDB48025,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,54H,4-14,16-17,19,21-22,25,27-53H2,1-3H3/b18-15-,23-20-,26-24-/t54-/m0/s1",FODKVBNCUCXQDG,QSCSLWOISA,N,TG(14:1(9Z)/22:1(13Z)/18:1(11Z)),FODKVBNCUCXQDG-QSCSLWOISA-N
HMDB48026,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,24-26,30,54H,4-14,16-17,19-23,27-29,31-53H2,1-3H3/b18-15-,26-24-,30-25-/t54-/m0/s1",ZITWCTCGAATZHT,JEQUJCETSA,N,TG(14:1(9Z)/22:1(13Z)/18:1(9Z)),ZITWCTCGAATZHT-JEQUJCETSA-N
HMDB48027,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,56H,4-14,16-17,19-23,28-55H2,1-3H3/b18-15-,26-24-,27-25-/t56-/m0/s1",AQIVPUYKJILOKM,UPPKVXKMSA,N,TG(14:1(9Z)/22:1(13Z)/20:1(11Z)),AQIVPUYKJILOKM-UPPKVXKMSA-N
HMDB48028,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,32,34,40,43,56H,4-14,16-17,19-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b18-15-,26-24-,27-25-,34-32-,43-40-/t56-/m0/s1",BULHVRJMQIKIQB,XIHJXLGOSA,N,"TG(14:1(9Z)/22:1(13Z)/20:3(5Z,8Z,11Z))",BULHVRJMQIKIQB-XIHJXLGOSA-N
HMDB48029,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,58H,4-14,16-17,19-23,28-57H2,1-3H3/b18-15-,26-24-,27-25-/t58-/m0/s1",FDMDMGLROVNITG,KCPLLMEXSA,N,TG(14:1(9Z)/22:1(13Z)/22:1(13Z)),FDMDMGLROVNITG-KCPLLMEXSA-N
HMDB48030,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,60H,4-14,16-17,19-23,28-59H2,1-3H3/b18-15-,26-24-,27-25-/t60-/m0/s1",USJFTUJSTHNKJJ,BKDMQJNTSA,N,TG(14:1(9Z)/22:1(13Z)/24:1(15Z)),USJFTUJSTHNKJJ-BKDMQJNTSA-N
HMDB48031,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,30,54H,4-14,16,19,21-23,27-29,31-53H2,1-3H3/b18-15-,20-17-,26-24-,30-25-/t54-/m0/s1",WMXYDRBAGJDSCG,UQXSDYQWSA,N,"TG(14:1(9Z)/22:1(13Z)/18:2(9Z,12Z))",WMXYDRBAGJDSCG-UQXSDYQWSA-N
HMDB48032,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,30,35,38,54H,4-14,16,19,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b18-15-,20-17-,26-24-,30-25-,38-35-/t54-/m0/s1",FFFBJYLAWNZQBW,ANICQBBUSA,N,"TG(14:1(9Z)/22:1(13Z)/18:3(6Z,9Z,12Z))",FFFBJYLAWNZQBW-ANICQBBUSA-N
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HMDB48035,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,40,43,56H,4-14,16,19,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,43-40-/t56-/m0/s1",IZTXNUMAXGPMOH,LUYRHHGQSA,N,"TG(14:1(9Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",IZTXNUMAXGPMOH-LUYRHHGQSA-N
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HMDB48037,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,36,39,58H,4-14,17,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,39-36-/t58-/m0/s1",WRZCTYFNIFYDES,CMUARVCLSA,N,"TG(14:1(9Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",WRZCTYFNIFYDES-CMUARVCLSA-N
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HMDB48039,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,30,54H,4-7,9-10,12-14,16,19,21-23,27-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,30-25-/t54-/m0/s1",CSWKLJWLTNNDPE,OCOJWXJXSA,N,"TG(14:1(9Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",CSWKLJWLTNNDPE-OCOJWXJXSA-N
HMDB48040,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,30,35,38,54H,4-7,9-10,12-14,16,19,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,30-25-,38-35-/t54-/m0/s1",AGMSNXWAHMCPIP,DYZSQZIUSA,N,"TG(14:1(9Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",AGMSNXWAHMCPIP-DYZSQZIUSA-N
HMDB48041,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,56H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-/t56-/m0/s1",SUDGIHRAPMJJLC,CEHOZANBSA,N,"TG(14:1(9Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",SUDGIHRAPMJJLC-CEHOZANBSA-N
HMDB48042,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,40,43,56H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,43-40-/t56-/m0/s1",QYPCODSMAYQTTK,RDRRQEECSA,N,"TG(14:1(9Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QYPCODSMAYQTTK-RDRRQEECSA-N
HMDB48043,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,36,39,58H,4-6,8-9,11-14,17,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,39-36-/t58-/m0/s1",YCNZMWWFBBSDGB,ONHGRHMPSA,N,"TG(14:1(9Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YCNZMWWFBBSDGB-ONHGRHMPSA-N
HMDB48044,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,36,39,45,48,58H,4-6,8-9,11-14,17,20-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1",VHRJJALDESQCSU,LAPMKJRFSA,N,"TG(14:1(9Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VHRJJALDESQCSU-LAPMKJRFSA-N
HMDB48045,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,55H,4-14,16-17,19-23,25,27-54H2,1-3H3/b18-15-,26-24-/t55-/m1/s1",WNMUYHREOSFLNY,PDQAXAAQSA,N,TG(14:1(9Z)/22:1(13Z)/o-18:0),WNMUYHREOSFLNY-PDQAXAAQSA-N
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HMDB48047,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15,18,20,23-25,54H,4-14,16-17,19,21-22,26-53H2,1-3H3/b18-15-,23-20-,25-24-/t54-/m0/s1",ZXYLDUDAXJJFMZ,FQVFIEMGSA,N,TG(14:1(9Z)/24:1(15Z)/16:1(9Z)),ZXYLDUDAXJJFMZ-FQVFIEMGSA-N
HMDB48048,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,56H,4-14,16-17,19,21-22,25,27-55H2,1-3H3/b18-15-,23-20-,26-24-/t56-/m0/s1",GDUNZRFUEPHSBS,ZWZMWFROSA,N,TG(14:1(9Z)/24:1(15Z)/18:1(11Z)),GDUNZRFUEPHSBS-ZWZMWFROSA-N
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HMDB48050,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,58H,4-14,16-17,19-23,28-57H2,1-3H3/b18-15-,26-24-,27-25-/t58-/m0/s1",KZTAYHHQGGVNPE,KCPLLMEXSA,N,TG(14:1(9Z)/24:1(15Z)/20:1(11Z)),KZTAYHHQGGVNPE-KCPLLMEXSA-N
HMDB48051,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,34,36,42,45,58H,4-14,16-17,19-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b18-15-,26-24-,27-25-,36-34-,45-42-/t58-/m0/s1",UEHQUPXUNRVNPR,WXCTZMOLSA,N,"TG(14:1(9Z)/24:1(15Z)/20:3(5Z,8Z,11Z))",UEHQUPXUNRVNPR-WXCTZMOLSA-N
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HMDB48053,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,62H,4-14,16-17,19-23,28-61H2,1-3H3/b18-15-,26-24-,27-25-/t62-/m0/s1",ZYPPHFPNUVSROD,MUZQJJCYSA,N,TG(14:1(9Z)/24:1(15Z)/24:1(15Z)),ZYPPHFPNUVSROD-MUZQJJCYSA-N
HMDB48054,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,32,56H,4-14,16,19,21-23,27-31,33-55H2,1-3H3/b18-15-,20-17-,26-24-,32-25-/t56-/m0/s1",QNWFFKISRVYXPZ,PACHYMCSSA,N,"TG(14:1(9Z)/24:1(15Z)/18:2(9Z,12Z))",QNWFFKISRVYXPZ-PACHYMCSSA-N
HMDB48055,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,32,37,40,56H,4-14,16,19,21-23,27-31,33-36,38-39,41-55H2,1-3H3/b18-15-,20-17-,26-24-,32-25-,40-37-/t56-/m0/s1",BRDUYYWKYJEHFZ,OTWPYCBLSA,N,"TG(14:1(9Z)/24:1(15Z)/18:3(6Z,9Z,12Z))",BRDUYYWKYJEHFZ-OTWPYCBLSA-N
HMDB48056,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,58H,4-14,16,19,21-23,28-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-/t58-/m0/s1",NXTVIXLFALVIBZ,IZGZYJOESA,N,TG(14:1(9Z)/24:1(15Z)/20:2n6),NXTVIXLFALVIBZ-IZGZYJOESA-N
HMDB48057,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,34,36,58H,4-14,16,19,21-23,28-33,35,37-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,36-34-/t58-/m0/s1",SHEKIKVNSVTLOL,XEVRVGQYSA,N,TG(14:1(9Z)/24:1(15Z)/20:3n6),SHEKIKVNSVTLOL-XEVRVGQYSA-N
HMDB48058,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,34,36,42,45,58H,4-14,16,19,21-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,36-34-,45-42-/t58-/m0/s1",MQZIPHPVMBMGLW,YEXNUULTSA,N,"TG(14:1(9Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",MQZIPHPVMBMGLW-YEXNUULTSA-N
HMDB48059,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,60H,4-14,16,19,21-23,28-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-/t60-/m0/s1",NZGZMFGERFXOQI,QDUPTCFUSA,N,"TG(14:1(9Z)/24:1(15Z)/22:2(13Z,16Z))",NZGZMFGERFXOQI-QDUPTCFUSA-N
HMDB48060,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,38,41,60H,4-14,16,19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,41-38-/t60-/m0/s1",ZULICJDFTKHDTK,VCKFMQQUSA,N,"TG(14:1(9Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",ZULICJDFTKHDTK-VCKFMQQUSA-N
HMDB48061,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,38,41,47,50,60H,4-14,16,19,21-23,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,41-38-,50-47-/t60-/m0/s1",KAYCQJCEFHDHCG,SRHPTLRPSA,N,"TG(14:1(9Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KAYCQJCEFHDHCG-SRHPTLRPSA-N
HMDB48062,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-/t56-/m0/s1",GAAJJNMUDMRTGP,KWQKOMGNSA,N,"TG(14:1(9Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",GAAJJNMUDMRTGP-KWQKOMGNSA-N
HMDB48063,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,37,40,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-36,38-39,41-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-,40-37-/t56-/m0/s1",IGMJMZZKQVAPDL,POSQJKRISA,N,"TG(14:1(9Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",IGMJMZZKQVAPDL-POSQJKRISA-N
HMDB48064,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,34,36,58H,4-7,9-10,12-14,16,19,21-23,28-33,35,37-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,36-34-/t58-/m0/s1",XCRVIPHWDHMIGX,DLLXYIRDSA,N,"TG(14:1(9Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",XCRVIPHWDHMIGX-DLLXYIRDSA-N
HMDB48065,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,34,36,42,45,58H,4-7,9-10,12-14,16,19,21-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,36-34-,45-42-/t58-/m0/s1",WLVZIQZMFRRBRG,PBFJYSTISA,N,"TG(14:1(9Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WLVZIQZMFRRBRG-PBFJYSTISA-N
HMDB48066,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,38,41,60H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,41-38-/t60-/m0/s1",UADZNXFRGDTRBT,VTKYJIKGSA,N,"TG(14:1(9Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UADZNXFRGDTRBT-VTKYJIKGSA-N
HMDB48067,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,38,41,47,50,60H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,41-38-,50-47-/t60-/m0/s1",IBUWOVXDFGLFPQ,CCAJHUHLSA,N,"TG(14:1(9Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IBUWOVXDFGLFPQ-CCAJHUHLSA-N
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HMDB48176,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-14,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-/t56-/m0/s1",AAHQMLDWRXUNIA,HZTDGBLZSA,N,"TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AAHQMLDWRXUNIA-HZTDGBLZSA-N
HMDB48177,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,37,40,52H,4-7,9-10,12-14,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",JGLPLENCHGEEER,HKEVRIQYSA,N,"TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",JGLPLENCHGEEER-HKEVRIQYSA-N
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HMDB48201,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,30,35,38,54H,4-7,9-10,12-14,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,30-25-,38-35-/t54-/m0/s1",MLBSRDWJQWBBBT,LGLNPASRSA,N,"TG(14:1(9Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",MLBSRDWJQWBBBT-LGLNPASRSA-N
HMDB48202,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,32,34,56H,4-7,9-10,12-14,21-23,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-32-/t56-/m0/s1",WUGXKKSWVUIYEL,IEQZJZOYSA,N,"TG(14:1(9Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",WUGXKKSWVUIYEL-IEQZJZOYSA-N
HMDB48203,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,32,34,40,43,56H,4-7,9-10,12-14,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-32-,43-40-/t56-/m0/s1",OYZFFJPKTSJFHC,CRPZZANESA,N,"TG(14:1(9Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",OYZFFJPKTSJFHC-CRPZZANESA-N
HMDB48204,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30,32,36,39,58H,4-6,8-9,11-14,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-/t58-/m0/s1",PEIYYGBKBMSDKA,GHUQQYNFSA,N,"TG(14:1(9Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PEIYYGBKBMSDKA-GHUQQYNFSA-N
HMDB48205,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30,32,36,39,45,48,58H,4-6,8-9,11-14,21-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1",IMDSBCGHWHXHNJ,PSJLCFBGSA,N,"TG(14:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IMDSBCGHWHXHNJ-PSJLCFBGSA-N
HMDB48206,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,55H,4-14,17,20-23,25,27-54H2,1-3H3/b18-15-,19-16-,26-24-/t55-/m1/s1",QAKLYWYMXOZHCJ,OFNFBCEFSA,N,"TG(14:1(9Z)/22:2(13Z,16Z)/o-18:0)",QAKLYWYMXOZHCJ-OFNFBCEFSA-N
HMDB48207,822.673740612,C53H90O6,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14-19,23-24,26-27,29,32,50H,4-13,20-22,25,28,30-31,33-49H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-,32-29-",JCMAHNKLIBEQIQ,XGSDVTTRSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))",JCMAHNKLIBEQIQ-XGSDVTTRSA-N
HMDB48208,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-28,31,34,52H,4-14,17,21-22,26,29-30,32-33,35-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,28-27-,34-31-/t52-/m0/s1",IHEZWXZPBOEGKN,ZJDDUNGSSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))",IHEZWXZPBOEGKN-ZJDDUNGSSA-N
HMDB48209,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,33,36,54H,4-14,17,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,36-33-/t54-/m0/s1",HZGMQQUFZQVFKI,ACMOWMMISA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))",HZGMQQUFZQVFKI-ACMOWMMISA-N
HMDB48210,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,33,36,54H,4-14,17,20-23,27,31-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",BKZQCONYTIMDGO,LNWWQZORSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",BKZQCONYTIMDGO-LNWWQZORSA-N
HMDB48211,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,35,38,56H,4-14,17,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",APZZSYQZZCOQHH,WIPCBZQYSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",APZZSYQZZCOQHH-WIPCBZQYSA-N
HMDB48212,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31-32,34-35,38,40,43,56H,4-14,17,20-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-/t56-/m0/s1",UDIAJGIHTXUHRO,MVZWICGCSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",UDIAJGIHTXUHRO-MVZWICGCSA-N
HMDB48213,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,31,33,37,40,58H,4-14,16,19,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,33-31-,40-37-/t58-/m0/s1",LRBGVQDJTDBFJI,PUEVCOBKSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",LRBGVQDJTDBFJI-PUEVCOBKSA-N
HMDB48214,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,35,39,42,60H,4-14,16,19,21-23,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,35-32-,42-39-/t60-/m0/s1",FZZMMDPBSSQSEG,XQVJMJGESA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",FZZMMDPBSSQSEG-XQVJMJGESA-N
HMDB48215,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,36,54H,4-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",SASTUSDSIZCZEU,DUNKDLFUSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",SASTUSDSIZCZEU-DUNKDLFUSA-N
HMDB48216,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,35-36,38,54H,4-14,21-23,27,31-32,34,37,39-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-/t54-/m0/s1",IUCMEYIXHUMTKK,PVBWVXMYSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",IUCMEYIXHUMTKK-PVBWVXMYSA-N
HMDB48217,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31,35,38,56H,4-14,21-23,28,30,32-34,36-37,39-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",WDTNLKIKKSAPKZ,RYKKEQFUSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)",WDTNLKIKKSAPKZ-RYKKEQFUSA-N
HMDB48218,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,56H,4-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1",IARGOQKYVGNTSE,RAKJXZSESA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)",IARGOQKYVGNTSE-RAKJXZSESA-N
HMDB48219,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,40,43,56H,4-14,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-/t56-/m0/s1",ATDIOVCHAKPQSA,KDIYWSEJSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",ATDIOVCHAKPQSA-KDIYWSEJSA-N
HMDB48220,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,31,33,37,40,58H,4-14,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,40-37-/t58-/m0/s1",FXILJODDOYFNRE,IOAWKHKYSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",FXILJODDOYFNRE-IOAWKHKYSA-N
HMDB48221,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,58H,4-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m0/s1",OUGPKGIDDBWKLH,LTVIYIOZSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",OUGPKGIDDBWKLH-LTVIYIOZSA-N
HMDB48222,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,45,48,58H,4-14,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-/t58-/m0/s1",RAEGWDYRUUSQOD,BIAQMYOSSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RAEGWDYRUUSQOD-BIAQMYOSSA-N
HMDB48223,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,36,54H,4-7,9-10,12-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",FEZLYTSCHJKHCW,MNYCRCGKSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",FEZLYTSCHJKHCW-MNYCRCGKSA-N
HMDB48224,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,35-36,38,54H,4-7,9-10,12-14,21-23,27,31-32,34,37,39-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-/t54-/m0/s1",SZDFDPGEKPRBDO,XEYOEFCRSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",SZDFDPGEKPRBDO-XEYOEFCRSA-N
HMDB48225,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1",PORHNNNMYDBBOL,RQWJTOPSSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",PORHNNNMYDBBOL-RQWJTOPSSA-N
HMDB48226,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,40,43,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-/t56-/m0/s1",PRQBMNMZPNQIKE,DWKGMDNSSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PRQBMNMZPNQIKE-DWKGMDNSSA-N
HMDB48227,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m0/s1",OSLIOJBFXMGZQO,VWMHFGBNSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OSLIOJBFXMGZQO-VWMHFGBNSA-N
HMDB48228,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-/t58-/m0/s1",SHVMTKJCJPSWEE,ZOBJIUJLSA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SHVMTKJCJPSWEE-ZOBJIUJLSA-N
HMDB48229,866.772726384,C57H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,33,36,55H,4-14,17,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,36-33-/t55-/m1/s1",CSTLHGPIWNGXFJ,NIQJBCCESA,N,"TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)",CSTLHGPIWNGXFJ-NIQJBCCESA-N
HMDB48230,820.658090548,C53H88O6,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14-19,23-24,26-27,29,32,38,41,50H,4-13,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-,32-29-,41-38-",RZBITDIGKJASJS,SKNUVUFXSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))",RZBITDIGKJASJS-SKNUVUFXSA-N
HMDB48231,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-28,31,34,40,43,52H,4-14,17,21-22,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,28-27-,34-31-,43-40-/t52-/m0/s1",FOGRLYXKBPSHNK,LIWGWNKYSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",FOGRLYXKBPSHNK-LIWGWNKYSA-N
HMDB48232,876.720690811,C57H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,33,36,42,45,54H,4-14,17,21-22,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,36-33-,45-42-/t54-/m0/s1",WAPFCYGMDGWSFK,ASZWHXIDSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",WAPFCYGMDGWSFK-ASZWHXIDSA-N
HMDB48233,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,33,36,42,45,54H,4-14,17,20-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,30-25-,36-33-,45-42-/t54-/m0/s1",YUQGWDPICPLTSC,VBRDYJSISA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",YUQGWDPICPLTSC-VBRDYJSISA-N
HMDB48234,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,35,38,44,47,56H,4-14,17,20-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,38-35-,47-44-/t56-/m0/s1",BHDQLYOSDNVJLL,LLXDWSTHSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",BHDQLYOSDNVJLL-LLXDWSTHSA-N
HMDB48235,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-14,17,20-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-/t56-/m0/s1",CYKDFWCGVFNUQI,DSHBHQPWSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",CYKDFWCGVFNUQI-DSHBHQPWSA-N
HMDB48236,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,31,33,37,40,46,49,58H,4-14,16,19,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-/t58-/m0/s1",JTGGFJVUCLWARC,MAUAATJSSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",JTGGFJVUCLWARC-MAUAATJSSA-N
HMDB48237,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,35,39,42,48,51,60H,4-14,16,19,21-23,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,35-32-,42-39-,51-48-/t60-/m0/s1",ZEYMHPWNHLVNQQ,ODDXXPJWSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",ZEYMHPWNHLVNQQ-ODDXXPJWSA-N
HMDB48238,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,36,42,45,54H,4-14,21-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,45-42-/t54-/m0/s1",IBEMVLVYSCHVDW,GEENNEDXSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",IBEMVLVYSCHVDW-GEENNEDXSA-N
HMDB48239,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,35-36,38,42,45,54H,4-14,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-/t54-/m0/s1",ZTRJETDHEOOTIA,XGVNCSOMSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",ZTRJETDHEOOTIA-XGVNCSOMSA-N
HMDB48240,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31,35,38,44,47,56H,4-14,21-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,38-35-,47-44-/t56-/m0/s1",BLBFKJSDOZTDGS,UPPCLHPKSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",BLBFKJSDOZTDGS-UPPCLHPKSA-N
HMDB48241,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,44,47,56H,4-14,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-/t56-/m0/s1",OGZXEGHARYHFNG,IYMPOHDZSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",OGZXEGHARYHFNG-IYMPOHDZSA-N
HMDB48242,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-14,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-/t56-/m0/s1",XXDQTCAGBCYETL,QRLVUGPQSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",XXDQTCAGBCYETL-QRLVUGPQSA-N
HMDB48243,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,31,33,37,40,46,49,58H,4-14,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-/t58-/m0/s1",OWWHZQCXYKWLPC,GPZGOXPNSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",OWWHZQCXYKWLPC-GPZGOXPNSA-N
HMDB48244,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,46,49,58H,4-14,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-/t58-/m0/s1",CGSRIZASCXBRLH,UAWURESCSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",CGSRIZASCXBRLH-UAWURESCSA-N
HMDB48245,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-14,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-/t58-/m0/s1",HQPIWUWUVGDNOG,GBFMYBBHSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HQPIWUWUVGDNOG-GBFMYBBHSA-N
HMDB48246,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,36,42,45,54H,4-7,9-10,12-14,21-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,45-42-/t54-/m0/s1",DQZGTLAOUNXBMP,YLEUIGBFSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",DQZGTLAOUNXBMP-YLEUIGBFSA-N
HMDB48247,870.673740618,C57H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,35-36,38,42,45,54H,4-7,9-10,12-14,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-/t54-/m0/s1",CJNLRBDKYPHUAH,SZJGEMRZSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",CJNLRBDKYPHUAH-SZJGEMRZSA-N
HMDB48248,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,44,47,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-/t56-/m0/s1",GLLDELYSAAPBMY,PVYWXLOVSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",GLLDELYSAAPBMY-PVYWXLOVSA-N
HMDB48249,896.689390682,C59H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-/t56-/m0/s1",ASPAIRHDDHSQBN,TVZAXXBESA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ASPAIRHDDHSQBN-TVZAXXBESA-N
HMDB48250,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,46,49,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-/t58-/m0/s1",LMIVETVBRASKSZ,FHNQSGEISA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LMIVETVBRASKSZ-FHNQSGEISA-N
HMDB48251,922.705040747,C61H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-/t58-/m0/s1",MYJCMFHCZXHYBT,NGBTXUNKSA,N,"TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MYJCMFHCZXHYBT-NGBTXUNKSA-N
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HMDB48253,768.62679042,C49H84O6,CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h7,10,14-19,23-24,46H,4-6,8-9,11-13,20-22,25-45H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-",BMRKBPZCISOCNZ,JIPXGMEESA,N,"TG(14:1(9Z)/18:3(9Z,12Z,15Z)/14:1(9Z))",BMRKBPZCISOCNZ-JIPXGMEESA-N
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HMDB48256,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,50H,4-7,9-10,12-14,16,19,21-23,28-49H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-/t50-/m0/s1",AMWQMYUYXYKHRQ,YWWFZZSYSA,N,"TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:1(9Z))",AMWQMYUYXYKHRQ-YWWFZZSYSA-N
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HMDB48261,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,50H,4-7,9-10,12-14,21-23,28-49H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-/t50-/m0/s1",SPHOZVHNJPURCV,DFMKFENFSA,N,"TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",SPHOZVHNJPURCV-DFMKFENFSA-N
HMDB48262,820.658090554,C53H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,31,34,50H,4-7,9-10,12-14,21-23,28-30,32-33,35-49H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-31-/t50-/m0/s1",LOSKOVDVWLREJL,AATBABKRSA,N,"TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",LOSKOVDVWLREJL-AATBABKRSA-N
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HMDB48269,820.658090554,C53H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,50H,4-6,9,12-14,21-23,28-49H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-/t50-/m0/s1",LESUPRQIZPRRLP,PFFAVFGQSA,N,"TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",LESUPRQIZPRRLP-PFFAVFGQSA-N
HMDB48270,818.642440489,C53H86O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,31,34,50H,4-6,9,12-14,21-23,28-30,32-33,35-49H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-31-/t50-/m0/s1",DVFQHHMFSOJTET,CGPWRZCGSA,N,"TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",DVFQHHMFSOJTET-CGPWRZCGSA-N
HMDB48271,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,52H,4-6,9,12-14,21-23,27,31-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-/t52-/m0/s1",WEFNYRIICLTLRW,JEXGXOAVSA,N,"TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",WEFNYRIICLTLRW-JEXGXOAVSA-N
HMDB48272,844.658090554,C55H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,36,39,52H,4-6,9,12-14,21-23,27,31-35,37-38,40-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,39-36-/t52-/m0/s1",YCYMRUIJGIMVLL,AHWNTARRSA,N,"TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YCYMRUIJGIMVLL-AHWNTARRSA-N
HMDB48273,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,32,35,54H,4-6,9,12-14,21-23,27,31,33-34,36-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-/t54-/m0/s1",RUIVGQBJBPDBPG,ZTAAJPQYSA,N,"TG(14:1(9Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RUIVGQBJBPDBPG-ZTAAJPQYSA-N
HMDB48274,870.673740618,C57H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,32,35,41,44,54H,4-6,9,12-14,21-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,44-41-/t54-/m0/s1",VMIMELKGIOUPBW,HRKWHJFUSA,N,"TG(14:1(9Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VMIMELKGIOUPBW-HRKWHJFUSA-N
HMDB48275,812.725776191,C53H96O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,51H,4-7,9-10,12-14,16,19,21-24,26,28-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-/t51-/m1/s1",JBGJBLLRTPUKJN,WFBMQPNDSA,N,"TG(14:1(9Z)/18:3(9Z,12Z,15Z)/o-18:0)",JBGJBLLRTPUKJN-WFBMQPNDSA-N
HMDB48276,766.611140356,C49H82O6,CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H82O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h7,10,14-19,23-24,28,31,46H,4-6,8-9,11-13,20-22,25-27,29-30,32-45H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,31-28-",JFLLCWSQKLXOOP,AJCBJYBCSA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))",JFLLCWSQKLXOOP-AJCBJYBCSA-N
HMDB48277,794.642440489,C51H86O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,30,33,48H,4-6,8-9,11-14,17,21-22,26-29,31-32,34-47H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,33-30-/t48-/m0/s1",WLKJUEPZPIGMLY,SIPHHPQGSA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))",WLKJUEPZPIGMLY-SIPHHPQGSA-N
HMDB48278,822.673740618,C53H90O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-20,22,25,27,32,35,50H,4-7,9-10,12-14,16,21,23-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,18-15-,20-17-,22-19-,27-25-,35-32-/t50-/m0/s1",QJWVWMNQQBKBFF,CSTAZJTGSA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))",QJWVWMNQQBKBFF-CSTAZJTGSA-N
HMDB48279,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,35,50H,4-7,9-10,12-14,16,19,21-23,28-31,33-34,36-49H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,35-32-/t50-/m0/s1",WLJZVYZEKLFGQG,QPBZWNCMSA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))",WLJZVYZEKLFGQG-QPBZWNCMSA-N
HMDB48280,850.705040747,C55H94O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28,34,37,52H,4-7,9-10,12-14,16,19,21-23,27,29-33,35-36,38-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,37-34-/t52-/m0/s1",OSOOFMZMHFHDPK,AXZUNTSZSA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))",OSOOFMZMHFHDPK-AXZUNTSZSA-N
HMDB48281,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28-30,34,36-37,39,52H,4-7,9-10,12-14,16,19,21-23,27,31-33,35,38,40-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-/t52-/m0/s1",FDHSPBOBPSBCOT,CXOACGJPSA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",FDHSPBOBPSBCOT-CXOACGJPSA-N
HMDB48282,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,30,36,39,54H,4-7,9-10,12-14,16,19,21-23,27-29,31-35,37-38,40-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,30-25-,39-36-/t54-/m0/s1",DJVZUKUCJSEBNX,ZSILSAGZSA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",DJVZUKUCJSEBNX-ZSILSAGZSA-N
HMDB48283,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,38,41,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-37,39-40,42-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-,41-38-/t56-/m0/s1",VBJQMPODIUIICN,BJADHIIGSA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",VBJQMPODIUIICN-BJADHIIGSA-N
HMDB48284,820.658090554,C53H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,32,35,50H,4-7,9-10,12-14,21-23,28-31,33-34,36-49H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,35-32-/t50-/m0/s1",RVFFZNOQFGQHDL,UQFLLRAZSA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",RVFFZNOQFGQHDL-UQFLLRAZSA-N
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HMDB48295,842.642440489,C55H86O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H86O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,34,36-37,39,52H,4-6,9,12-14,21-23,27,31-33,35,38,40-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-/t52-/m0/s1",ZCHMUPNOWBLFPP,SUKCSISNSA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZCHMUPNOWBLFPP-SUKCSISNSA-N
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HMDB48297,868.658090554,C57H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,32,35-36,39,41,44,54H,4-6,9,12-14,21-23,27,31,33-34,37-38,40,42-43,45-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-,44-41-/t54-/m0/s1",NQINDCNLWAAQDL,ZOXGIGEISA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NQINDCNLWAAQDL-ZOXGIGEISA-N
HMDB48298,810.710126127,C53H94O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H94O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,35,51H,4-7,9-10,12-14,16,19,21-24,26,28-31,33-34,36-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-32-/t51-/m1/s1",SYVOFSNZDFOJMB,WYIJERPYSA,N,"TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)",SYVOFSNZDFOJMB-WYIJERPYSA-N
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HMDB48320,896.689390682,C59H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31,33-35,37,43,46,56H,4-6,9,12-14,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-/t56-/m0/s1",BJAMSMUIYHUDMP,GXLVWMGESA,N,"TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BJAMSMUIYHUDMP-GXLVWMGESA-N
HMDB48321,838.741426256,C55H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,53H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-52H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-/t53-/m1/s1",PRBBZGQORJEBML,HTNVVQHESA,N,"TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)",PRBBZGQORJEBML-HTNVVQHESA-N
HMDB48322,792.62679042,C51H84O6,CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C51H84O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h7,10,14-19,23-24,26-27,33,36,48H,4-6,8-9,11-13,20-22,25,28-32,34-35,37-47H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,27-26-,36-33-",NHPLQSICTKFRBO,BBEALOKNSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))",NHPLQSICTKFRBO-BBEALOKNSA-N
HMDB48323,820.658090554,C53H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27,29,35,38,50H,4-6,8-9,11-14,17,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,29-27-,38-35-/t50-/m0/s1",HILJHHOWKQMBGA,FATPXTEKSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))",HILJHHOWKQMBGA-FATPXTEKSA-N
HMDB48324,848.689390682,C55H92O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,29,31,37,40,52H,4-6,8-9,11-14,17,21-22,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,31-29-,40-37-/t52-/m0/s1",AOTJDSKHOMPURZ,OMERTJQFSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))",AOTJDSKHOMPURZ-OMERTJQFSA-N
HMDB48325,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-29,31,37,40,52H,4-6,8-9,11-14,17,20-23,27,30,32-36,38-39,41-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",CLUOPYOJVRMMMU,WZFLIHDVSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",CLUOPYOJVRMMMU-WZFLIHDVSA-N
HMDB48326,876.720690811,C57H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,31,33,39,42,54H,4-7,9-10,12-14,16,19,21-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,33-31-,42-39-/t54-/m0/s1",SHCXNKSVSZGYBE,FKSAPQLUSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",SHCXNKSVSZGYBE-FKSAPQLUSA-N
HMDB48327,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,30-33,38-39,41-42,54H,4-7,9-10,12-14,16,19,21-23,28-29,34-37,40,43-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",ZUJODFSPXQTKCV,KEPLUNBDSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",ZUJODFSPXQTKCV-KEPLUNBDSA-N
HMDB48328,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,33,35,41,44,56H,4-7,9-10,12-14,16,19,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,35-33-,44-41-/t56-/m0/s1",OPBUSCZPGPCPGC,PFYCGXEVSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",OPBUSCZPGPCPGC-PFYCGXEVSA-N
HMDB48329,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,35,37,43,46,58H,4-7,9-10,12-14,16,19,21-23,28-34,36,38-42,44-45,47-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,37-35-,46-43-/t58-/m0/s1",CKMPSDRKKIAOLJ,FAKGMXCDSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",CKMPSDRKKIAOLJ-FAKGMXCDSA-N
HMDB48330,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,37,40,52H,4-6,8-9,11-14,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,40-37-/t52-/m0/s1",ORWGRDHZRPRMBW,ISHOKGJLSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",ORWGRDHZRPRMBW-ISHOKGJLSA-N
HMDB48331,844.658090554,C55H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,33,36-37,40,52H,4-6,8-9,11-14,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-/t52-/m0/s1",APSXTTCXCNYJKF,GNDBVOEISA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",APSXTTCXCNYJKF-GNDBVOEISA-N
HMDB48332,874.705040747,C57H94O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,31,33,39,42,54H,4-7,9-10,12-14,21-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,42-39-/t54-/m0/s1",PWNKVHQNAWHKJH,LUAGMIMGSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",PWNKVHQNAWHKJH-LUAGMIMGSA-N
HMDB48333,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,39,42,54H,4-7,9-10,12-14,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-/t54-/m0/s1",OGKUIYNQWNDFEZ,SRXOMTGCSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",OGKUIYNQWNDFEZ-SRXOMTGCSA-N
HMDB48334,870.673740618,C57H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,38-39,41-42,54H,4-7,9-10,12-14,21-23,28-29,34-37,40,43-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1",IDZOUYPALMJRMW,ZFOVVLNOSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",IDZOUYPALMJRMW-ZFOVVLNOSA-N
HMDB48335,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,33,35,41,44,56H,4-7,9-10,12-14,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,35-33-,44-41-/t56-/m0/s1",BOKCLVLFVYMOPG,KHRNFRDISA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",BOKCLVLFVYMOPG-KHRNFRDISA-N
HMDB48336,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31,33-35,37,41,44,56H,4-7,9-10,12-14,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-/t56-/m0/s1",DBVRDNIMGBAFLC,URCSPGNZSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",DBVRDNIMGBAFLC-URCSPGNZSA-N
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HMDB48339,842.642440489,C55H86O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H86O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,33,36-37,40,52H,4-6,9,12-14,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-/t52-/m0/s1",AEGGSIQTFITNLJ,ZFXKJSSFSA,N,"TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",AEGGSIQTFITNLJ-ZFXKJSSFSA-N
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HMDB48369,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,34,40,43,52H,4-6,8-9,11-14,17,21-22,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,34-31-,43-40-/t52-/m0/s1",BTZBYLDYWHUFOU,YNDGGFTNSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",BTZBYLDYWHUFOU-YNDGGFTNSA-N
HMDB48370,874.705040747,C57H94O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,33,36,42,45,54H,4-6,8-9,11-14,17,21-22,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,36-33-,45-42-/t54-/m0/s1",IJTJZUDATXBHSP,MRVUBWQISA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",IJTJZUDATXBHSP-MRVUBWQISA-N
HMDB48371,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,33,36,42,45,54H,4-6,8-9,11-14,17,20-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,30-25-,36-33-,45-42-/t54-/m0/s1",HDRWKKOQIBKRGR,NXWANKFNSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",HDRWKKOQIBKRGR-NXWANKFNSA-N
HMDB48372,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,35,38,44,47,56H,4-6,8-9,11-14,17,20-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,38-35-,47-44-/t56-/m0/s1",VQZXIDYUBYDGMW,RXYGTCBZSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",VQZXIDYUBYDGMW-RXYGTCBZSA-N
HMDB48373,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-6,8-9,11-14,17,20-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-/t56-/m0/s1",DWPWQCYEPQNBJO,FANOXVSTSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",DWPWQCYEPQNBJO-FANOXVSTSA-N
HMDB48374,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,31,33,37,40,46,49,58H,4-7,9-10,12-14,16,19,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-/t58-/m0/s1",PRPRLWRRRYYHQR,LDDVSWMVSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",PRPRLWRRRYYHQR-LDDVSWMVSA-N
HMDB48375,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,35,39,42,48,51,60H,4-7,9-10,12-14,16,19,21-23,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,35-32-,42-39-,51-48-/t60-/m0/s1",UYTLNZBFEBCSPM,XXJASNBMSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",UYTLNZBFEBCSPM-XXJASNBMSA-N
HMDB48376,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,33,36,42,45,54H,4-6,8-9,11-14,21-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,45-42-/t54-/m0/s1",ZEQCOBRYLMLUHL,CFICBZJMSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",ZEQCOBRYLMLUHL-CFICBZJMSA-N
HMDB48377,870.673740618,C57H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,33,35-36,38,42,45,54H,4-6,8-9,11-14,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-/t54-/m0/s1",ZFIDQULHIFEPGU,MYAUJTJFSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",ZFIDQULHIFEPGU-MYAUJTJFSA-N
HMDB48378,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31,35,38,44,47,56H,4-6,8-9,11-14,21-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,38-35-,47-44-/t56-/m0/s1",BTSPSCRQQWFSPQ,OFQAGCFRSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",BTSPSCRQQWFSPQ-OFQAGCFRSA-N
HMDB48379,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,44,47,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-/t56-/m0/s1",WWDIUQZCYQBZGC,MCLCGPIZSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",WWDIUQZCYQBZGC-MCLCGPIZSA-N
HMDB48380,896.689390682,C59H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-/t56-/m0/s1",HIURHMOBBIWFLI,LXZYQFGOSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",HIURHMOBBIWFLI-LXZYQFGOSA-N
HMDB48381,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,31,33,37,40,46,49,58H,4-7,9-10,12-14,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-/t58-/m0/s1",KMXSEGUGIVAIKF,VDMLFXDPSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",KMXSEGUGIVAIKF-VDMLFXDPSA-N
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HMDB48383,922.705040747,C61H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-7,9-10,12-14,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-/t58-/m0/s1",HWDSCOGERAHKAD,XUVXTJGHSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HWDSCOGERAHKAD-XUVXTJGHSA-N
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HMDB48385,868.658090554,C57H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,33,35-36,38,42,45,54H,4-6,9,12-14,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-/t54-/m0/s1",RBCNSSZYUXFRGB,HHYAGNGTSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",RBCNSSZYUXFRGB-HHYAGNGTSA-N
HMDB48386,896.689390682,C59H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38,44,47,56H,4-6,9,12-14,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-/t56-/m0/s1",PMZHWRDRIPMSIX,NESOHPAZSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",PMZHWRDRIPMSIX-NESOHPAZSA-N
HMDB48387,894.673740618,C59H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-6,9,12-14,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-/t56-/m0/s1",WVXNQAGGQOSVBO,RBXDFHKKSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WVXNQAGGQOSVBO-RBXDFHKKSA-N
HMDB48388,922.705040747,C61H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-37,39-40,46,49,58H,4-6,9,12-14,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-/t58-/m0/s1",VKVDYCGBWPKJFS,XBSLFMIJSA,N,"TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VKVDYCGBWPKJFS-XBSLFMIJSA-N
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HMDB48391,760.694476054,C49H92O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C49H92O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-47(45-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2)46-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3/h14-15,17-18,47H,4-13,16,19-46H2,1-3H3/b17-14-,18-15-",GZMZLJLVCRQFNO,UBTQEXSZSA,N,TG(14:1(9Z)/o-18:0/14:1(9Z)),GZMZLJLVCRQFNO-UBTQEXSZSA-N
HMDB48392,788.725776191,C51H96O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H96O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)48-56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h15,18,20,23,49H,4-14,16-17,19,21-22,24-48H2,1-3H3/b18-15-,23-20-/t49-/m0/s1",MIRPCUBTALEDQC,UHVGCUFSSA,N,TG(14:1(9Z)/o-18:0/16:1(9Z)),MIRPCUBTALEDQC-UHVGCUFSSA-N
HMDB48393,816.75707632,C53H100O5,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,51H,4-14,16-17,19,21-22,24-50H2,1-3H3/b18-15-,23-20-/t51-/m0/s1",VHTGWWFMEWQMKQ,CXFRYPCTSA,N,TG(14:1(9Z)/o-18:0/18:1(11Z)),VHTGWWFMEWQMKQ-CXFRYPCTSA-N
HMDB48394,816.75707632,C53H100O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,51H,4-14,16-17,19-24,26,28-50H2,1-3H3/b18-15-,27-25-/t51-/m0/s1",JNNZLHATVWLJCF,QLNJNHAESA,N,TG(14:1(9Z)/o-18:0/18:1(9Z)),JNNZLHATVWLJCF-QLNJNHAESA-N
HMDB48395,844.788376449,C55H104O5,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,53H,4-14,16-17,19-23,25,27-52H2,1-3H3/b18-15-,26-24-/t53-/m0/s1",HSUIKVGDIDGHMW,IMHYBZNGSA,N,TG(14:1(9Z)/o-18:0/20:1(11Z)),HSUIKVGDIDGHMW-IMHYBZNGSA-N
HMDB48396,840.75707632,C55H100O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,37,40,53H,4-14,16-17,19-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b18-15-,26-24-,31-29-,40-37-/t53-/m0/s1",MZZJMNRFEVFLDN,SJXDCQGXSA,N,"TG(14:1(9Z)/o-18:0/20:3(5Z,8Z,11Z))",MZZJMNRFEVFLDN-SJXDCQGXSA-N
HMDB48397,872.819676578,C57H108O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,55H,4-14,16-17,19-23,25,27-54H2,1-3H3/b18-15-,26-24-/t55-/m0/s1",LAOVJWJRHGEQLA,OLKKVURMSA,N,TG(14:1(9Z)/o-18:0/22:1(13Z)),LAOVJWJRHGEQLA-OLKKVURMSA-N
HMDB48398,900.850976706,C59H112O5,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,57H,4-14,16-17,19-23,25,27-56H2,1-3H3/b18-15-,26-24-/t57-/m0/s1",XNHWYHFYYUALLY,UHLYPTQTSA,N,TG(14:1(9Z)/o-18:0/24:1(15Z)),XNHWYHFYYUALLY-UHLYPTQTSA-N
HMDB48399,814.741426256,C53H98O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,51H,4-14,16,19,21-24,26,28-50H2,1-3H3/b18-15-,20-17-,27-25-/t51-/m0/s1",HLAHKPZLHAKKED,FHDIKIECSA,N,"TG(14:1(9Z)/o-18:0/18:2(9Z,12Z))",HLAHKPZLHAKKED-FHDIKIECSA-N
HMDB48400,812.725776191,C53H96O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,35,51H,4-14,16,19,21-24,26,28-31,33-34,36-50H2,1-3H3/b18-15-,20-17-,27-25-,35-32-/t51-/m0/s1",PQDRUAOWRSDXLH,XXMVPBGMSA,N,"TG(14:1(9Z)/o-18:0/18:3(6Z,9Z,12Z))",PQDRUAOWRSDXLH-XXMVPBGMSA-N
HMDB48401,842.772726384,C55H102O5,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,53H,4-14,17,20-23,25,27-52H2,1-3H3/b18-15-,19-16-,26-24-/t53-/m0/s1",OYGBKABOKBWAOA,PWMLTBMOSA,N,TG(14:1(9Z)/o-18:0/20:2n6),OYGBKABOKBWAOA-PWMLTBMOSA-N
HMDB48402,840.75707632,C55H100O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,53H,4-14,17,20-23,25,27-28,30,32-52H2,1-3H3/b18-15-,19-16-,26-24-,31-29-/t53-/m0/s1",UDRABYXIIRUEHH,FXVDGKIYSA,N,TG(14:1(9Z)/o-18:0/20:3n6),UDRABYXIIRUEHH-FXVDGKIYSA-N
HMDB48403,838.741426256,C55H98O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,37,40,53H,4-14,17,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,40-37-/t53-/m0/s1",UBYXSIWFCYZTHX,MCHRJMMYSA,N,"TG(14:1(9Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))",UBYXSIWFCYZTHX-MCHRJMMYSA-N
HMDB48404,870.804026513,C57H106O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,55H,4-14,17,20-23,25,27-54H2,1-3H3/b18-15-,19-16-,26-24-/t55-/m0/s1",NWUHDVPEYQTVME,RRVGRDLBSA,N,"TG(14:1(9Z)/o-18:0/22:2(13Z,16Z))",NWUHDVPEYQTVME-RRVGRDLBSA-N
HMDB48405,866.772726384,C57H102O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,33,36,55H,4-14,17,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,36-33-/t55-/m0/s1",LWCKIESQXRPOHD,HEYFZOEJSA,N,"TG(14:1(9Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))",LWCKIESQXRPOHD-HEYFZOEJSA-N
HMDB48406,864.75707632,C57H100O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,33,36,42,45,55H,4-14,17,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,36-33-,45-42-/t55-/m0/s1",DCCHCXIMJWRLDN,ORDWFHKWSA,N,"TG(14:1(9Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",DCCHCXIMJWRLDN-ORDWFHKWSA-N
HMDB48407,812.725776191,C53H96O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,51H,4-7,9-10,12-14,16,19,21-24,26,28-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-/t51-/m0/s1",ZWAUOPHKBFUCIC,JMCXUACXSA,N,"TG(14:1(9Z)/o-18:0/18:3(9Z,12Z,15Z))",ZWAUOPHKBFUCIC-JMCXUACXSA-N
HMDB48408,810.710126127,C53H94O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H94O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,35,51H,4-7,9-10,12-14,16,19,21-24,26,28-31,33-34,36-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-32-/t51-/m0/s1",NJSIOMKHBNIJPJ,PFOHBVLVSA,N,"TG(14:1(9Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",NJSIOMKHBNIJPJ-PFOHBVLVSA-N
HMDB48409,838.741426256,C55H98O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,53H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-52H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-/t53-/m0/s1",YKKMFXGDUMHZFK,TVHVYOQCSA,N,"TG(14:1(9Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",YKKMFXGDUMHZFK-TVHVYOQCSA-N
HMDB48410,836.725776191,C55H96O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H96O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,37,40,53H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,40-37-/t53-/m0/s1",KYWRWWGEHHAZGS,JOBLJTPVSA,N,"TG(14:1(9Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",KYWRWWGEHHAZGS-JOBLJTPVSA-N
HMDB48411,864.75707632,C57H100O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-/t55-/m0/s1",KRUXNUWIWVCMKX,WRMFWARJSA,N,"TG(14:1(9Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",KRUXNUWIWVCMKX-WRMFWARJSA-N
HMDB48412,862.741426256,C57H98O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,42,45,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-,45-42-/t55-/m0/s1",WKWCIVFSWWYQPI,VJTFIWRRSA,N,"TG(14:1(9Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WKWCIVFSWWYQPI-VJTFIWRRSA-N
HMDB48416,830.736340876,C53H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h20,23-25,50H,4-19,21-22,26-49H2,1-3H3/b23-20-,25-24-/t50-/m0/s1",YEYJYKALHFSXRZ,HISZCDFUSA,N,TG(16:1(9Z)/14:0/20:1(11Z)),YEYJYKALHFSXRZ-HISZCDFUSA-N
HMDB48417,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h20,23-25,27,29,34,37,50H,4-19,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b23-20-,25-24-,29-27-,37-34-/t50-/m0/s1",UYGYAJSBPXNUKO,DXUFFMHWSA,N,"TG(16:1(9Z)/14:0/20:3(5Z,8Z,11Z))",UYGYAJSBPXNUKO-DXUFFMHWSA-N
HMDB48418,858.767641004,C55H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h20,23-25,52H,4-19,21-22,26-51H2,1-3H3/b23-20-,25-24-/t52-/m0/s1",ICUFXJCFNQYIFN,VKDKGOFISA,N,TG(16:1(9Z)/14:0/22:1(13Z)),ICUFXJCFNQYIFN-VKDKGOFISA-N
HMDB48419,886.798941133,C57H106O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h20,23-25,54H,4-19,21-22,26-53H2,1-3H3/b23-20-,25-24-/t54-/m0/s1",WJUJLGCHGPVVQM,MXGJYYPSSA,N,TG(16:1(9Z)/14:0/24:1(15Z)),WJUJLGCHGPVVQM-MXGJYYPSSA-N
HMDB48421,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23-25,30,32,48H,4-15,17-18,21-22,26-29,31,33-47H2,1-3H3/b19-16-,23-20-,25-24-,32-30-/t48-/m0/s1",IEMSJARCABXYAI,DSHDAVCZSA,N,"TG(16:1(9Z)/14:0/18:3(6Z,9Z,12Z))",IEMSJARCABXYAI-DSHDAVCZSA-N
HMDB48422,828.720690811,C53H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,50H,4-15,17-18,21-22,26-49H2,1-3H3/b19-16-,23-20-,25-24-/t50-/m0/s1",LDFXIHILQXIVNY,YLFLZVBXSA,N,TG(16:1(9Z)/14:0/20:2n6),LDFXIHILQXIVNY-YLFLZVBXSA-N
HMDB48423,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,50H,4-15,17-18,21-22,26,28,30-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-/t50-/m0/s1",KWLPNXMQTITYED,YZRFHVQASA,N,TG(16:1(9Z)/14:0/20:3n6),KWLPNXMQTITYED-YZRFHVQASA-N
HMDB48424,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,34,37,50H,4-15,17-18,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-,37-34-/t50-/m0/s1",IHXGCWJQSGEEML,DYDTYJAISA,N,"TG(16:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))",IHXGCWJQSGEEML-DYDTYJAISA-N
HMDB48425,856.75199094,C55H100O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,52H,4-15,17-18,21-22,26-51H2,1-3H3/b19-16-,23-20-,25-24-/t52-/m0/s1",PPLCXIXCJSJOOR,QPRILOHKSA,N,"TG(16:1(9Z)/14:0/22:2(13Z,16Z))",PPLCXIXCJSJOOR-QPRILOHKSA-N
HMDB48426,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,34,52H,4-15,17-18,21-22,26,29-30,32-33,35-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,34-31-/t52-/m0/s1",MDXVSMKNQLMYQZ,MUYBOSFNSA,N,"TG(16:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))",MDXVSMKNQLMYQZ-MUYBOSFNSA-N
HMDB48427,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,34,39,42,52H,4-15,17-18,21-22,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,34-31-,42-39-/t52-/m0/s1",IXDKGEQCQKNGPV,LHBBKLRPSA,N,"TG(16:1(9Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",IXDKGEQCQKNGPV-LHBBKLRPSA-N
HMDB48428,798.673740618,C51H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,48H,4-6,8-9,11-15,17-18,21-22,26-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-/t48-/m0/s1",KHMIUYHHLSILFQ,NGYNEUHUSA,N,"TG(16:1(9Z)/14:0/18:3(9Z,12Z,15Z))",KHMIUYHHLSILFQ-NGYNEUHUSA-N
HMDB48429,796.658090554,C51H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,30,32,48H,4-6,8-9,11-15,17-18,21-22,26-29,31,33-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,32-30-/t48-/m0/s1",CXMSFJHIQFBNGB,AOBQKXFVSA,N,"TG(16:1(9Z)/14:0/18:4(6Z,9Z,12Z,15Z))",CXMSFJHIQFBNGB-AOBQKXFVSA-N
HMDB48430,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-/t50-/m0/s1",HPPJATVMLKTNGR,XNHODMNWSA,N,"TG(16:1(9Z)/14:0/20:4(8Z,11Z,14Z,17Z))",HPPJATVMLKTNGR-XNHODMNWSA-N
HMDB48431,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,34,37,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-,37-34-/t50-/m0/s1",SXDWPXDKOVBFQY,PDIIZDKVSA,N,"TG(16:1(9Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",SXDWPXDKOVBFQY-PDIIZDKVSA-N
HMDB48432,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,34,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32-33,35-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,34-31-/t52-/m0/s1",ACGAJOGANDCYOQ,LLCRUVCOSA,N,"TG(16:1(9Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",ACGAJOGANDCYOQ-LLCRUVCOSA-N
HMDB48433,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,34,39,42,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,34-31-,42-39-/t52-/m0/s1",FFUZTSCVTYHCQM,CFBYSQPXSA,N,"TG(16:1(9Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FFUZTSCVTYHCQM-CFBYSQPXSA-N
HMDB48434,790.741426256,C51H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C51H98O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-29-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-/t49-/m1/s1",KTBXJELRQFUBRZ,KMTXBVSESA,N,TG(16:1(9Z)/14:0/o-18:0),KTBXJELRQFUBRZ-KMTXBVSESA-N
HMDB48435,788.689390676,C50H92O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-47(56-50(53)44-41-38-35-32-27-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,47H,4-18,21,24-46H2,1-3H3/b22-19-,23-20-",AVFPBQUWBFZKNB,IKJQKJQYSA,N,TG(16:1(9Z)/15:0/16:1(9Z)),AVFPBQUWBFZKNB-IKJQKJQYSA-N
HMDB48436,816.720690811,C52H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h19-20,22-23,49H,4-18,21,24-48H2,1-3H3/b22-19-,23-20-/t49-/m0/s1",ZKWHCPISAGDXAY,LAHAAABNSA,N,TG(16:1(9Z)/15:0/18:1(11Z)),ZKWHCPISAGDXAY-LAHAAABNSA-N
HMDB48437,816.720690811,C52H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h20,23,25-26,49H,4-19,21-22,24,27-48H2,1-3H3/b23-20-,26-25-/t49-/m0/s1",HKJBSCORSZMVPC,OPRAGXQSSA,N,TG(16:1(9Z)/15:0/18:1(9Z)),HKJBSCORSZMVPC-OPRAGXQSSA-N
HMDB48438,844.75199094,C54H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,51H,4-19,21-22,24,27-50H2,1-3H3/b23-20-,26-25-/t51-/m0/s1",SCIXQLBFIGGQAL,KYBOZFGKSA,N,TG(16:1(9Z)/15:0/20:1(11Z)),SCIXQLBFIGGQAL-KYBOZFGKSA-N
HMDB48439,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,28,30,35,38,51H,4-19,21-22,24,27,29,31-34,36-37,39-50H2,1-3H3/b23-20-,26-25-,30-28-,38-35-/t51-/m0/s1",MGOKMZLPSXMJTH,WKVHYLRMSA,N,"TG(16:1(9Z)/15:0/20:3(5Z,8Z,11Z))",MGOKMZLPSXMJTH-WKVHYLRMSA-N
HMDB48440,872.783291069,C56H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h20,23,25-26,53H,4-19,21-22,24,27-52H2,1-3H3/b23-20-,26-25-/t53-/m0/s1",BPSWXEAPUFBUNN,WOQLUVNOSA,N,TG(16:1(9Z)/15:0/22:1(13Z)),BPSWXEAPUFBUNN-WOQLUVNOSA-N
HMDB48441,900.814591198,C58H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-23-20-17-14-11-8-5-2/h20,23,25-26,55H,4-19,21-22,24,27-54H2,1-3H3/b23-20-,26-25-/t55-/m0/s1",BIVVWXVYGHOKIM,BYOZWASUSA,N,TG(16:1(9Z)/15:0/24:1(15Z)),BIVVWXVYGHOKIM-BYOZWASUSA-N
HMDB48442,814.705040747,C52H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,49H,4-15,17-18,21-22,24,27-48H2,1-3H3/b19-16-,23-20-,26-25-/t49-/m0/s1",VLOZZRNLFJQZFU,RLFYQNGLSA,N,"TG(16:1(9Z)/15:0/18:2(9Z,12Z))",VLOZZRNLFJQZFU-RLFYQNGLSA-N
HMDB48443,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,31,33,49H,4-15,17-18,21-22,24,27-30,32,34-48H2,1-3H3/b19-16-,23-20-,26-25-,33-31-/t49-/m0/s1",JPXSXCWPROOPES,CBYGAFGESA,N,"TG(16:1(9Z)/15:0/18:3(6Z,9Z,12Z))",JPXSXCWPROOPES-CBYGAFGESA-N
HMDB48444,842.736340876,C54H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,51H,4-15,17-18,21-22,24,27-50H2,1-3H3/b19-16-,23-20-,26-25-/t51-/m0/s1",WVBFGMOFOIEXMP,QJWNQIOASA,N,TG(16:1(9Z)/15:0/20:2n6),WVBFGMOFOIEXMP-QJWNQIOASA-N
HMDB48445,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,51H,4-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-/t51-/m0/s1",QIIRZFLQOFVIIM,FDPZATRVSA,N,TG(16:1(9Z)/15:0/20:3n6),QIIRZFLQOFVIIM-FDPZATRVSA-N
HMDB48446,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,35,38,51H,4-15,17-18,21-22,24,27,29,31-34,36-37,39-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-,38-35-/t51-/m0/s1",HWFCATNMUDQDSQ,QTZAFHSXSA,N,"TG(16:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z))",HWFCATNMUDQDSQ-QTZAFHSXSA-N
HMDB48447,870.767641004,C56H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,53H,4-15,17-18,21-22,24,27-52H2,1-3H3/b19-16-,23-20-,26-25-/t53-/m0/s1",IDHWESQGISCQBM,FQPHMWNESA,N,"TG(16:1(9Z)/15:0/22:2(13Z,16Z))",IDHWESQGISCQBM-FQPHMWNESA-N
HMDB48448,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,35,53H,4-15,17-18,21-22,24,27,30-31,33-34,36-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-32-/t53-/m0/s1",GEOBYXOIXMXZNK,VRECEFNGSA,N,"TG(16:1(9Z)/15:0/22:4(7Z,10Z,13Z,16Z))",GEOBYXOIXMXZNK-VRECEFNGSA-N
HMDB48449,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,35,40,43,53H,4-15,17-18,21-22,24,27,30-31,33-34,36-39,41-42,44-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-32-,43-40-/t53-/m0/s1",SLVMJOASRUYQFS,GFMUOXADSA,N,"TG(16:1(9Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",SLVMJOASRUYQFS-GFMUOXADSA-N
HMDB48450,812.689390682,C52H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,49H,4-6,8-9,11-15,17-18,21-22,24,27-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-/t49-/m0/s1",DCQLFFREGWMLBF,DBMJIPBXSA,N,"TG(16:1(9Z)/15:0/18:3(9Z,12Z,15Z))",DCQLFFREGWMLBF-DBMJIPBXSA-N
HMDB48451,810.673740618,C52H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,31,33,49H,4-6,8-9,11-15,17-18,21-22,24,27-30,32,34-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,33-31-/t49-/m0/s1",GAMHGECUGNEWQW,CNXDFWOBSA,N,"TG(16:1(9Z)/15:0/18:4(6Z,9Z,12Z,15Z))",GAMHGECUGNEWQW-CNXDFWOBSA-N
HMDB48452,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,30,51H,4-6,8-9,11-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,30-28-/t51-/m0/s1",IAMLEAFABVJMCK,MOJABBSNSA,N,"TG(16:1(9Z)/15:0/20:4(8Z,11Z,14Z,17Z))",IAMLEAFABVJMCK-MOJABBSNSA-N
HMDB48453,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,30,35,38,51H,4-6,8-9,11-15,17-18,21-22,24,27,29,31-34,36-37,39-50H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,30-28-,38-35-/t51-/m0/s1",VMACHNDDWUWJEU,ZMXKCADZSA,N,"TG(16:1(9Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",VMACHNDDWUWJEU-ZMXKCADZSA-N
HMDB48454,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,35,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33-34,36-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-32-/t53-/m0/s1",XZWFYOXPDCNAOF,GDFIQQEYSA,N,"TG(16:1(9Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",XZWFYOXPDCNAOF-GDFIQQEYSA-N
HMDB48455,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,35,40,43,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33-34,36-39,41-42,44-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-32-,43-40-/t53-/m0/s1",NPQUIJRWOTXMJJ,SGSNMVNBSA,N,"TG(16:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NPQUIJRWOTXMJJ-SGSNMVNBSA-N
HMDB48456,804.75707632,C52H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H100O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-48-50(57-52(54)46-43-40-37-34-30-24-21-18-15-12-9-6-3)49-56-51(53)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-/t50-/m1/s1",ROHOYNBXHMZRNG,DKKVYINCSA,N,TG(16:1(9Z)/15:0/o-18:0),ROHOYNBXHMZRNG-DKKVYINCSA-N
HMDB48457,802.70504074,C51H94O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,48H,4-18,21,24-47H2,1-3H3/b22-19-,23-20-",XYKBFKVMVVJQIJ,IKJQKJQYSA,N,TG(16:1(9Z)/16:0/16:1(9Z)),XYKBFKVMVVJQIJ-IKJQKJQYSA-N
HMDB48459,830.736340876,C53H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,25-26,50H,4-19,21-22,24,27-49H2,1-3H3/b23-20-,26-25-/t50-/m0/s1",FPGKWYQJDXALIR,DFMQRSEXSA,N,TG(16:1(9Z)/16:0/18:1(9Z)),FPGKWYQJDXALIR-DFMQRSEXSA-N
HMDB48460,858.767641004,C55H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,52H,4-19,21-22,24,27-51H2,1-3H3/b23-20-,26-25-/t52-/m0/s1",WEBLHERYYCVMSW,SFIDXHQESA,N,TG(16:1(9Z)/16:0/20:1(11Z)),WEBLHERYYCVMSW-SFIDXHQESA-N
HMDB48461,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,28,31,36,39,52H,4-19,21-22,24,27,29-30,32-35,37-38,40-51H2,1-3H3/b23-20-,26-25-,31-28-,39-36-/t52-/m0/s1",JWNWCIRXPXBJCL,VEBFPZQCSA,N,"TG(16:1(9Z)/16:0/20:3(5Z,8Z,11Z))",JWNWCIRXPXBJCL-VEBFPZQCSA-N
HMDB48462,886.798941133,C57H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20,23,25-26,54H,4-19,21-22,24,27-53H2,1-3H3/b23-20-,26-25-/t54-/m0/s1",KQYWAIXIMLVMJO,SPMMZFFUSA,N,TG(16:1(9Z)/16:0/22:1(13Z)),KQYWAIXIMLVMJO-SPMMZFFUSA-N
HMDB48463,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20,23,25-26,56H,4-19,21-22,24,27-55H2,1-3H3/b23-20-,26-25-/t56-/m0/s1",PPRQNLZEKMZHBT,FKSTTXIDSA,N,TG(16:1(9Z)/16:0/24:1(15Z)),PPRQNLZEKMZHBT-FKSTTXIDSA-N
HMDB48464,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,50H,4-15,17-18,21-22,24,27-49H2,1-3H3/b19-16-,23-20-,26-25-/t50-/m0/s1",ZGEUTBSZSMYRTR,DMYBLZRSSA,N,"TG(16:1(9Z)/16:0/18:2(9Z,12Z))",ZGEUTBSZSMYRTR-DMYBLZRSSA-N
HMDB48465,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,31,34,50H,4-15,17-18,21-22,24,27-30,32-33,35-49H2,1-3H3/b19-16-,23-20-,26-25-,34-31-/t50-/m0/s1",DRVLCIUADBDBAR,OPZSRRECSA,N,"TG(16:1(9Z)/16:0/18:3(6Z,9Z,12Z))",DRVLCIUADBDBAR-OPZSRRECSA-N
HMDB48466,856.75199094,C55H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,52H,4-15,17-18,21-22,24,27-51H2,1-3H3/b19-16-,23-20-,26-25-/t52-/m0/s1",NTANLNVWSGZVNG,MTFYTBQQSA,N,TG(16:1(9Z)/16:0/20:2n6),NTANLNVWSGZVNG-MTFYTBQQSA-N
HMDB48467,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,31,52H,4-15,17-18,21-22,24,27,29-30,32-51H2,1-3H3/b19-16-,23-20-,26-25-,31-28-/t52-/m0/s1",DCGWMQXJIKTDCL,OPLGIJSPSA,N,TG(16:1(9Z)/16:0/20:3n6),DCGWMQXJIKTDCL-OPLGIJSPSA-N
HMDB48468,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,31,36,39,52H,4-15,17-18,21-22,24,27,29-30,32-35,37-38,40-51H2,1-3H3/b19-16-,23-20-,26-25-,31-28-,39-36-/t52-/m0/s1",MPJVJPDVMFMULD,XIXMKOIVSA,N,"TG(16:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))",MPJVJPDVMFMULD-XIXMKOIVSA-N
HMDB48469,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,54H,4-15,17-18,21-22,24,27-53H2,1-3H3/b19-16-,23-20-,26-25-/t54-/m0/s1",LGEZSPSFVTXJTF,MLJGIAGDSA,N,"TG(16:1(9Z)/16:0/22:2(13Z,16Z))",LGEZSPSFVTXJTF-MLJGIAGDSA-N
HMDB48470,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,33,35,54H,4-15,17-18,21-22,24,27,30-32,34,36-53H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-33-/t54-/m0/s1",LRPHUHNPXZVJHC,ALZNIZKHSA,N,"TG(16:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))",LRPHUHNPXZVJHC-ALZNIZKHSA-N
HMDB48471,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,33,35,41,44,54H,4-15,17-18,21-22,24,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-33-,44-41-/t54-/m0/s1",BTVQBVISXWCGTJ,CBMOVIBJSA,N,"TG(16:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",BTVQBVISXWCGTJ-CBMOVIBJSA-N
HMDB48473,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,31,34,50H,4-6,8-9,11-15,17-18,21-22,24,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,34-31-/t50-/m0/s1",KMKFKDUBZBKWGQ,PIEZGYMZSA,N,"TG(16:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z))",KMKFKDUBZBKWGQ-PIEZGYMZSA-N
HMDB48474,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,31,52H,4-6,8-9,11-15,17-18,21-22,24,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,31-28-/t52-/m0/s1",WRMBXJIECLAGIV,LGPIHYRSSA,N,"TG(16:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z))",WRMBXJIECLAGIV-LGPIHYRSSA-N
HMDB48475,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,31,36,39,52H,4-6,8-9,11-15,17-18,21-22,24,27,29-30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,31-28-,39-36-/t52-/m0/s1",IYDOOORVEBKNHE,BVHGHICOSA,N,"TG(16:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",IYDOOORVEBKNHE-BVHGHICOSA-N
HMDB48476,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,33,35,54H,4-6,8-9,11-15,17-18,21-22,24,27,30-32,34,36-53H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-33-/t54-/m0/s1",ABNVKNXJMZHAME,ZHDYMSPWSA,N,"TG(16:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",ABNVKNXJMZHAME-ZHDYMSPWSA-N
HMDB48477,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,33,35,41,44,54H,4-6,8-9,11-15,17-18,21-22,24,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-33-,44-41-/t54-/m0/s1",ZKEPTLDIEQOARR,JMORQSHSSA,N,"TG(16:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZKEPTLDIEQOARR-JMORQSHSSA-N
HMDB48478,818.772726384,C53H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/m1/s1",PVEVFPQKYUHNMW,FECCDXIYSA,N,TG(16:1(9Z)/16:0/o-18:0),PVEVFPQKYUHNMW-FECCDXIYSA-N
HMDB48479,830.736340868,C53H98O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h20-21,23-24,50H,4-19,22,25-49H2,1-3H3/b23-20-,24-21-",MQEDMAAPHDZVJQ,XFUYORNGSA,N,TG(16:1(9Z)/18:0/16:1(9Z)),MQEDMAAPHDZVJQ-XFUYORNGSA-N
HMDB48483,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,32,38,41,54H,4-20,22-23,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b24-21-,27-25-,32-30-,41-38-/t54-/m0/s1",IJAGVFPXKMAQRV,PGYKOVLESA,N,"TG(16:1(9Z)/18:0/20:3(5Z,8Z,11Z))",IJAGVFPXKMAQRV-PGYKOVLESA-N
HMDB48484,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-/t56-/m0/s1",RKMYDQZHNDAFDU,VFBDGFDBSA,N,TG(16:1(9Z)/18:0/22:1(13Z)),RKMYDQZHNDAFDU-VFBDGFDBSA-N
HMDB48485,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h21,24-25,27,58H,4-20,22-23,26,28-57H2,1-3H3/b24-21-,27-25-/t58-/m0/s1",FLMVCURKTYUWQF,RHKJSXQCSA,N,TG(16:1(9Z)/18:0/24:1(15Z)),FLMVCURKTYUWQF-RHKJSXQCSA-N
HMDB48487,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,33,36,52H,4-15,17-18,20,22-23,26,28-32,34-35,37-51H2,1-3H3/b19-16-,24-21-,27-25-,36-33-/t52-/m0/s1",DJFHIFMJEYKBGL,YVUOSQQLSA,N,"TG(16:1(9Z)/18:0/18:3(6Z,9Z,12Z))",DJFHIFMJEYKBGL-YVUOSQQLSA-N
HMDB48488,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,54H,4-15,17-18,20,22-23,26,28-53H2,1-3H3/b19-16-,24-21-,27-25-/t54-/m0/s1",WACLWOAQCVZQHO,XXQKTQNQSA,N,TG(16:1(9Z)/18:0/20:2n6),WACLWOAQCVZQHO-XXQKTQNQSA-N
HMDB48489,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,54H,4-15,17-18,20,22-23,26,28-29,31,33-53H2,1-3H3/b19-16-,24-21-,27-25-,32-30-/t54-/m0/s1",WXMJAPVKXZKBEF,XBICQSHKSA,N,TG(16:1(9Z)/18:0/20:3n6),WXMJAPVKXZKBEF-XBICQSHKSA-N
HMDB48491,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,56H,4-15,17-18,20,22-23,26,28-55H2,1-3H3/b19-16-,24-21-,27-25-/t56-/m0/s1",HJWCPCZHCBBLKF,RAFYEYBJSA,N,"TG(16:1(9Z)/18:0/22:2(13Z,16Z))",HJWCPCZHCBBLKF-RAFYEYBJSA-N
HMDB48492,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,34,37,56H,4-15,17-18,20,22-23,26,28,31-33,35-36,38-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,37-34-/t56-/m0/s1",VCNKGJNIUBRBIJ,BAPNBJKUSA,N,"TG(16:1(9Z)/18:0/22:4(7Z,10Z,13Z,16Z))",VCNKGJNIUBRBIJ-BAPNBJKUSA-N
HMDB48493,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,34,37,43,46,56H,4-15,17-18,20,22-23,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,37-34-,46-43-/t56-/m0/s1",UDAXQIWPSWWDKR,GHQAHTIUSA,N,"TG(16:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",UDAXQIWPSWWDKR-GHQAHTIUSA-N
HMDB48494,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,52H,4-6,8-9,11-15,17-18,20,22-23,26,28-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-/t52-/m0/s1",GEKZYIPUAKKNKE,VNVALVBESA,N,"TG(16:1(9Z)/18:0/18:3(9Z,12Z,15Z))",GEKZYIPUAKKNKE-VNVALVBESA-N
HMDB48495,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,33,36,52H,4-6,8-9,11-15,17-18,20,22-23,26,28-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,36-33-/t52-/m0/s1",JLEMYYGTXQHVFE,NYKUUUQXSA,N,"TG(16:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z))",JLEMYYGTXQHVFE-NYKUUUQXSA-N
HMDB48496,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,54H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-/t54-/m0/s1",HSSCOLBULXMJLZ,LZDOVTAVSA,N,"TG(16:1(9Z)/18:0/20:4(8Z,11Z,14Z,17Z))",HSSCOLBULXMJLZ-LZDOVTAVSA-N
HMDB48497,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,38,41,54H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,41-38-/t54-/m0/s1",QRUQSCZKIVNCMK,UZJCIMHESA,N,"TG(16:1(9Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",QRUQSCZKIVNCMK-UZJCIMHESA-N
HMDB48498,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,34,37,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,37-34-/t56-/m0/s1",BLQLNWGWKYGWQK,WGDLBXKPSA,N,"TG(16:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",BLQLNWGWKYGWQK-WGDLBXKPSA-N
HMDB48499,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,34,37,43,46,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,37-34-,46-43-/t56-/m0/s1",BROCVGUNARRIRK,MCKGJNMRSA,N,"TG(16:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BROCVGUNARRIRK-MCKGJNMRSA-N
HMDB48500,846.804026513,C55H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,53H,4-20,22-23,25-52H2,1-3H3/b24-21-/t53-/m1/s1",YECPTNUKFQNKDN,JDMPLWDLSA,N,TG(16:1(9Z)/18:0/o-18:0),YECPTNUKFQNKDN-JDMPLWDLSA-N
HMDB48501,858.767640996,C55H102O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20-21,23-24,52H,4-19,22,25-51H2,1-3H3/b23-20-,24-21-",UODJHPJRZFDMQO,XFUYORNGSA,N,TG(16:1(9Z)/20:0/16:1(9Z)),UODJHPJRZFDMQO-XFUYORNGSA-N
HMDB48502,886.798941133,C57H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21-/t54-/m0/s1",BXUWCVHIAYPFIH,ZJNVQPEOSA,N,TG(16:1(9Z)/20:0/18:1(11Z)),BXUWCVHIAYPFIH-ZJNVQPEOSA-N
HMDB48503,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,54H,4-20,22-23,25,27-28,30-53H2,1-3H3/b24-21-,29-26-/t54-/m0/s1",DEEXYJWAKXXWJW,PBQHXTIFSA,N,TG(16:1(9Z)/20:0/18:1(9Z)),DEEXYJWAKXXWJW-PBQHXTIFSA-N
HMDB48505,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,31,34,40,43,56H,4-20,22-23,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b24-21-,27-25-,34-31-,43-40-/t56-/m0/s1",WIIMVWVINPJLTF,LXMTVLJSSA,N,"TG(16:1(9Z)/20:0/20:3(5Z,8Z,11Z))",WIIMVWVINPJLTF-LXMTVLJSSA-N
HMDB48506,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,58H,4-20,22-23,26,28-57H2,1-3H3/b24-21-,27-25-/t58-/m0/s1",MWNZLWBLFRSEKB,RHKJSXQCSA,N,TG(16:1(9Z)/20:0/22:1(13Z)),MWNZLWBLFRSEKB-RHKJSXQCSA-N
HMDB48507,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,60H,4-20,22-23,26,28-59H2,1-3H3/b24-21-,27-25-/t60-/m0/s1",PJZNQCVWKSDFQV,ZCSYOJTKSA,N,TG(16:1(9Z)/20:0/24:1(15Z)),PJZNQCVWKSDFQV-ZCSYOJTKSA-N
HMDB48508,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,54H,4-16,18-19,22-23,25,27-28,30-53H2,1-3H3/b20-17-,24-21-,29-26-/t54-/m0/s1",JPGXGLQWIXJXMB,YNOLVQETSA,N,"TG(16:1(9Z)/20:0/18:2(9Z,12Z))",JPGXGLQWIXJXMB-YNOLVQETSA-N
HMDB48509,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,38,54H,4-16,18-19,22-23,25,27-28,30-34,36-37,39-53H2,1-3H3/b20-17-,24-21-,29-26-,38-35-/t54-/m0/s1",HZZKPTPGUSEZPI,PHVUGBARSA,N,"TG(16:1(9Z)/20:0/18:3(6Z,9Z,12Z))",HZZKPTPGUSEZPI-PHVUGBARSA-N
HMDB48510,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,56H,4-15,17-18,20,22-23,26,28-55H2,1-3H3/b19-16-,24-21-,27-25-/t56-/m0/s1",CYKTYFSPVTXYMD,RAFYEYBJSA,N,TG(16:1(9Z)/20:0/20:2n6),CYKTYFSPVTXYMD-RAFYEYBJSA-N
HMDB48511,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,34,56H,4-15,17-18,20,22-23,26,28-30,32-33,35-55H2,1-3H3/b19-16-,24-21-,27-25-,34-31-/t56-/m0/s1",SLMOYJVEKTXUIV,XBOXYJGOSA,N,TG(16:1(9Z)/20:0/20:3n6),SLMOYJVEKTXUIV-XBOXYJGOSA-N
HMDB48513,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,58H,4-15,17-18,20,22-23,26,28-57H2,1-3H3/b19-16-,24-21-,27-25-/t58-/m0/s1",UMQXHZBMMHCUQU,TXAPXYFQSA,N,"TG(16:1(9Z)/20:0/22:2(13Z,16Z))",UMQXHZBMMHCUQU-TXAPXYFQSA-N
HMDB48514,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,36,39,58H,4-15,17-18,20,22-23,26,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,39-36-/t58-/m0/s1",KLEZQDAIDJWBNT,LOJLPMLXSA,N,"TG(16:1(9Z)/20:0/22:4(7Z,10Z,13Z,16Z))",KLEZQDAIDJWBNT-LOJLPMLXSA-N
HMDB48515,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,36,39,45,48,58H,4-15,17-18,20,22-23,26,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1",YVQASWWLNMNNGP,FWMBJHDDSA,N,"TG(16:1(9Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",YVQASWWLNMNNGP-FWMBJHDDSA-N
HMDB48516,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-/t54-/m0/s1",XYIGSYIGMXHUQI,KQCMVNHWSA,N,"TG(16:1(9Z)/20:0/18:3(9Z,12Z,15Z))",XYIGSYIGMXHUQI-KQCMVNHWSA-N
HMDB48517,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,35,38,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,38-35-/t54-/m0/s1",GQZRZDIDOJKGLP,SIPNAMALSA,N,"TG(16:1(9Z)/20:0/18:4(6Z,9Z,12Z,15Z))",GQZRZDIDOJKGLP-SIPNAMALSA-N
HMDB48518,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,34,56H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,34-31-/t56-/m0/s1",OARBIMUHOKIFKC,PSJPTTNUSA,N,"TG(16:1(9Z)/20:0/20:4(8Z,11Z,14Z,17Z))",OARBIMUHOKIFKC-PSJPTTNUSA-N
HMDB48519,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,34,40,43,56H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,34-31-,43-40-/t56-/m0/s1",MEAHLQMABQGZDE,DYGMHXHRSA,N,"TG(16:1(9Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",MEAHLQMABQGZDE-DYGMHXHRSA-N
HMDB48520,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,36,39,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,39-36-/t58-/m0/s1",SPMDWRWYNSWZBT,ZCSOPTHNSA,N,"TG(16:1(9Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",SPMDWRWYNSWZBT-ZCSOPTHNSA-N
HMDB48521,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1",JBECERZRCWCKFS,ZDNAZEKTSA,N,"TG(16:1(9Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JBECERZRCWCKFS-ZDNAZEKTSA-N
HMDB48522,874.835326642,C57H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,55H,4-20,22-23,25-54H2,1-3H3/b24-21-/t55-/m1/s1",PKWPXOXGYXWVKK,AYMZKUIOSA,N,TG(16:1(9Z)/20:0/o-18:0),PKWPXOXGYXWVKK-AYMZKUIOSA-N
HMDB48523,886.798941124,C57H106O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21-",SCKPWGYVJPFAGF,XFUYORNGSA,N,TG(16:1(9Z)/22:0/16:1(9Z)),SCKPWGYVJPFAGF-XFUYORNGSA-N
HMDB48524,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-/t56-/m0/s1",SAZDDXQYEIJVSC,WXUBJASCSA,N,TG(16:1(9Z)/22:0/18:1(11Z)),SAZDDXQYEIJVSC-WXUBJASCSA-N
HMDB48525,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h21,24,26,31,56H,4-20,22-23,25,27-30,32-55H2,1-3H3/b24-21-,31-26-/t56-/m0/s1",ZPJFCNOYMFWVHX,GXGVICTKSA,N,TG(16:1(9Z)/22:0/18:1(9Z)),ZPJFCNOYMFWVHX-GXGVICTKSA-N
HMDB48526,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,58H,4-20,22-23,25,27,29-57H2,1-3H3/b24-21-,28-26-/t58-/m0/s1",WJMXDOSYJOVEGP,DMQVVFPPSA,N,TG(16:1(9Z)/22:0/20:1(11Z)),WJMXDOSYJOVEGP-DMQVVFPPSA-N
HMDB48527,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,33,36,42,45,58H,4-20,22-23,25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b24-21-,28-26-,36-33-,45-42-/t58-/m0/s1",WAJPTWUYDRSLNY,HHGQFJELSA,N,"TG(16:1(9Z)/22:0/20:3(5Z,8Z,11Z))",WAJPTWUYDRSLNY-HHGQFJELSA-N
HMDB48528,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,60H,4-20,22-23,26,28-59H2,1-3H3/b24-21-,27-25-/t60-/m0/s1",CISSBQIGKKYEPB,ZCSYOJTKSA,N,TG(16:1(9Z)/22:0/22:1(13Z)),CISSBQIGKKYEPB-ZCSYOJTKSA-N
HMDB48529,998.924141648,C65H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,62H,4-20,22-23,26,28-61H2,1-3H3/b24-21-,27-25-/t62-/m0/s1",VKXPVCNSBQBDGO,BDQFSBPQSA,N,TG(16:1(9Z)/22:0/24:1(15Z)),VKXPVCNSBQBDGO-BDQFSBPQSA-N
HMDB48530,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,31,56H,4-16,18-19,22-23,25,27-30,32-55H2,1-3H3/b20-17-,24-21-,31-26-/t56-/m0/s1",HPQKTAPZEDOKQK,ZSWUPKJYSA,N,"TG(16:1(9Z)/22:0/18:2(9Z,12Z))",HPQKTAPZEDOKQK-ZSWUPKJYSA-N
HMDB48531,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,31,37,40,56H,4-16,18-19,22-23,25,27-30,32-36,38-39,41-55H2,1-3H3/b20-17-,24-21-,31-26-,40-37-/t56-/m0/s1",ZJVSSXXKKXSZHD,LCHFSGBKSA,N,"TG(16:1(9Z)/22:0/18:3(6Z,9Z,12Z))",ZJVSSXXKKXSZHD-LCHFSGBKSA-N
HMDB48532,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,58H,4-16,18-19,22-23,25,27,29-57H2,1-3H3/b20-17-,24-21-,28-26-/t58-/m0/s1",UOUKSIKNMFLSOA,XCRVDNAJSA,N,TG(16:1(9Z)/22:0/20:2n6),UOUKSIKNMFLSOA-XCRVDNAJSA-N
HMDB48533,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,58H,4-16,18-19,22-23,25,27,29-32,34-35,37-57H2,1-3H3/b20-17-,24-21-,28-26-,36-33-/t58-/m0/s1",JKXYRUMPRSILQY,PDGVUXAPSA,N,TG(16:1(9Z)/22:0/20:3n6),JKXYRUMPRSILQY-PDGVUXAPSA-N
HMDB48534,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,42,45,58H,4-16,18-19,22-23,25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b20-17-,24-21-,28-26-,36-33-,45-42-/t58-/m0/s1",IZXJMWFLHRPASS,YXVARZIWSA,N,"TG(16:1(9Z)/22:0/20:4(5Z,8Z,11Z,14Z))",IZXJMWFLHRPASS-YXVARZIWSA-N
HMDB48535,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,60H,4-15,17-18,20,22-23,26,28-59H2,1-3H3/b19-16-,24-21-,27-25-/t60-/m0/s1",JKTCMEHHQOHFEA,HWEVJLRKSA,N,"TG(16:1(9Z)/22:0/22:2(13Z,16Z))",JKTCMEHHQOHFEA-HWEVJLRKSA-N
HMDB48536,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,33,38,41,60H,4-15,17-18,20,22-23,26,28-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,27-25-,33-31-,41-38-/t60-/m0/s1",HSNAKNZDCUCCNE,WYEJDGEESA,N,"TG(16:1(9Z)/22:0/22:4(7Z,10Z,13Z,16Z))",HSNAKNZDCUCCNE-WYEJDGEESA-N
HMDB48537,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,26,28-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,27-25-,33-31-,41-38-,50-47-/t60-/m0/s1",WBUNYBCPBJAPRX,DYBXYQKRSA,N,"TG(16:1(9Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",WBUNYBCPBJAPRX-DYBXYQKRSA-N
HMDB48538,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,31,56H,4-7,9-10,12-16,18-19,22-23,25,27-30,32-55H2,1-3H3/b11-8-,20-17-,24-21-,31-26-/t56-/m0/s1",IXIIVTUVFXUSQW,SILOWOTJSA,N,"TG(16:1(9Z)/22:0/18:3(9Z,12Z,15Z))",IXIIVTUVFXUSQW-SILOWOTJSA-N
HMDB48539,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,31,37,40,56H,4-7,9-10,12-16,18-19,22-23,25,27-30,32-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,24-21-,31-26-,40-37-/t56-/m0/s1",HHZOPTCFFWURND,RUTZSMACSA,N,"TG(16:1(9Z)/22:0/18:4(6Z,9Z,12Z,15Z))",HHZOPTCFFWURND-RUTZSMACSA-N
HMDB48540,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-/t58-/m0/s1",XJWQAGZTCFOQJK,LOARYUEQSA,N,"TG(16:1(9Z)/22:0/20:4(8Z,11Z,14Z,17Z))",XJWQAGZTCFOQJK-LOARYUEQSA-N
HMDB48541,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,42,45,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-,45-42-/t58-/m0/s1",QYZGISQYZLCBHM,FIOBQSMUSA,N,"TG(16:1(9Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",QYZGISQYZLCBHM-FIOBQSMUSA-N
HMDB48542,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-31-,41-38-/t60-/m0/s1",FNBKULXEHXAYLR,DZRVHWHTSA,N,"TG(16:1(9Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",FNBKULXEHXAYLR-DZRVHWHTSA-N
HMDB48543,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-31-,41-38-,50-47-/t60-/m0/s1",CZYPKXITIKIVBG,GPPUJEKUSA,N,"TG(16:1(9Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CZYPKXITIKIVBG-GPPUJEKUSA-N
HMDB48544,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-/t57-/m1/s1",ZTOPVHNXZUMKFI,COAUFNLESA,N,TG(16:1(9Z)/22:0/o-18:0),ZTOPVHNXZUMKFI-COAUFNLESA-N
HMDB48545,914.830241252,C59H110O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-",AKRDICGFDXTDDB,XFUYORNGSA,N,TG(16:1(9Z)/24:0/16:1(9Z)),AKRDICGFDXTDDB-XFUYORNGSA-N
HMDB48546,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h20-21,23-24,58H,4-19,22,25-57H2,1-3H3/b23-20-,24-21-/t58-/m0/s1",JNZLJJXCXKXIHT,XDOGSREESA,N,TG(16:1(9Z)/24:0/18:1(11Z)),JNZLJJXCXKXIHT-XDOGSREESA-N
HMDB48547,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h21,24,26,33,58H,4-20,22-23,25,27-32,34-57H2,1-3H3/b24-21-,33-26-/t58-/m0/s1",CSXWUPDTKWUFDD,JUFUZYQMSA,N,TG(16:1(9Z)/24:0/18:1(9Z)),CSXWUPDTKWUFDD-JUFUZYQMSA-N
HMDB48548,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,60H,4-20,22-23,25,27,29-59H2,1-3H3/b24-21-,28-26-/t60-/m0/s1",FNHNIQYRALAOKL,GCGFRPBCSA,N,TG(16:1(9Z)/24:0/20:1(11Z)),FNHNIQYRALAOKL-GCGFRPBCSA-N
HMDB48549,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,35,38,44,47,60H,4-20,22-23,25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b24-21-,28-26-,38-35-,47-44-/t60-/m0/s1",ZNLDPPZYMIYAKR,MVMAAOOESA,N,"TG(16:1(9Z)/24:0/20:3(5Z,8Z,11Z))",ZNLDPPZYMIYAKR-MVMAAOOESA-N
HMDB48550,998.924141648,C65H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,62H,4-20,22-23,25,27,29-61H2,1-3H3/b24-21-,28-26-/t62-/m0/s1",RCPNSUWGKUXCHG,DTXAIMIPSA,N,TG(16:1(9Z)/24:0/22:1(13Z)),RCPNSUWGKUXCHG-DTXAIMIPSA-N
HMDB48551,1026.955441777,C67H126O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,64H,4-20,22-23,26,28-63H2,1-3H3/b24-21-,27-25-/t64-/m0/s1",IZHFYCXWBYENSI,PBPLWAEVSA,N,TG(16:1(9Z)/24:0/24:1(15Z)),IZHFYCXWBYENSI-PBPLWAEVSA-N
HMDB48552,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,33,58H,4-16,18-19,22-23,25,27-32,34-57H2,1-3H3/b20-17-,24-21-,33-26-/t58-/m0/s1",SZWHHAMLCPVQHZ,WFESAASTSA,N,"TG(16:1(9Z)/24:0/18:2(9Z,12Z))",SZWHHAMLCPVQHZ-WFESAASTSA-N
HMDB48553,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,33,39,42,58H,4-16,18-19,22-23,25,27-32,34-38,40-41,43-57H2,1-3H3/b20-17-,24-21-,33-26-,42-39-/t58-/m0/s1",QZEYFZLPYNVHDI,JITPNZGCSA,N,"TG(16:1(9Z)/24:0/18:3(6Z,9Z,12Z))",QZEYFZLPYNVHDI-JITPNZGCSA-N
HMDB48554,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,60H,4-16,18-19,22-23,25,27,29-59H2,1-3H3/b20-17-,24-21-,28-26-/t60-/m0/s1",IKNAMSQXQLOJII,YQMKNMNOSA,N,TG(16:1(9Z)/24:0/20:2n6),IKNAMSQXQLOJII-YQMKNMNOSA-N
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HMDB48560,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-/t58-/m0/s1",QCFICBUSORBZMX,UVSJIQQOSA,N,"TG(16:1(9Z)/24:0/18:3(9Z,12Z,15Z))",QCFICBUSORBZMX-UVSJIQQOSA-N
HMDB48561,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,39,42,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-,42-39-/t58-/m0/s1",XPNLSTCPZZEUQF,XBIQHLNESA,N,"TG(16:1(9Z)/24:0/18:4(6Z,9Z,12Z,15Z))",XPNLSTCPZZEUQF-XBIQHLNESA-N
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HMDB48597,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-21,23-26,31,34,50H,4-15,17-18,22,27-30,32-33,35-49H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,34-31-/t50-/m0/s1",CWAFIVPCBLPYIH,DLARYPMJSA,N,"TG(16:1(9Z)/16:1(9Z)/18:3(6Z,9Z,12Z))",CWAFIVPCBLPYIH-DLARYPMJSA-N
HMDB48598,854.736340876,C55H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-21,23-26,52H,4-15,17-18,22,27-51H2,1-3H3/b19-16-,23-20-,24-21-,26-25-/t52-/m0/s1",TZRLBGSETAVVDN,FIPRSGIASA,N,TG(16:1(9Z)/16:1(9Z)/20:2n6),TZRLBGSETAVVDN-FIPRSGIASA-N
HMDB48599,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-21,23-26,28,31,52H,4-15,17-18,22,27,29-30,32-51H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,31-28-/t52-/m0/s1",YLSQMGKHEUFXMJ,SXILZFAHSA,N,TG(16:1(9Z)/16:1(9Z)/20:3n6),YLSQMGKHEUFXMJ-SXILZFAHSA-N
HMDB48601,882.767641004,C57H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-21,23-26,54H,4-15,17-18,22,27-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-/t54-/m0/s1",YUBPSQNVVBRHKY,NYDKXWMXSA,N,"TG(16:1(9Z)/16:1(9Z)/22:2(13Z,16Z))",YUBPSQNVVBRHKY-NYDKXWMXSA-N
HMDB48602,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-21,23-26,28-29,33,35,54H,4-15,17-18,22,27,30-32,34,36-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,29-28-,35-33-/t54-/m0/s1",ULPAJHKZIZPHLP,UYUXKAJOSA,N,"TG(16:1(9Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",ULPAJHKZIZPHLP-UYUXKAJOSA-N
HMDB48603,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-21,23-26,28-29,33,35,41,44,54H,4-15,17-18,22,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,29-28-,35-33-,44-41-/t54-/m0/s1",UCOFHRVTLOLMOT,SGHKZOFUSA,N,"TG(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UCOFHRVTLOLMOT-SGHKZOFUSA-N
HMDB48604,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,50H,4-6,8-9,11-15,17-18,22,27-49H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-/t50-/m0/s1",AFTBPUXZTDLRSP,YUBPGDABSA,N,"TG(16:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",AFTBPUXZTDLRSP-YUBPGDABSA-N
HMDB48605,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,31,34,50H,4-6,8-9,11-15,17-18,22,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,34-31-/t50-/m0/s1",GBSHILPCPMOAFQ,FLFHSJLVSA,N,"TG(16:1(9Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",GBSHILPCPMOAFQ-FLFHSJLVSA-N
HMDB48606,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,28,31,52H,4-6,8-9,11-15,17-18,22,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,31-28-/t52-/m0/s1",WLXDYFVVGDKBSW,HMCXJCKCSA,N,"TG(16:1(9Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",WLXDYFVVGDKBSW-HMCXJCKCSA-N
HMDB48607,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,28,31,36,39,52H,4-6,8-9,11-15,17-18,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,31-28-,39-36-/t52-/m0/s1",YLBALWIGKCTFIL,UGEGEDFZSA,N,"TG(16:1(9Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YLBALWIGKCTFIL-UGEGEDFZSA-N
HMDB48608,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,28-29,33,35,54H,4-6,8-9,11-15,17-18,22,27,30-32,34,36-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,29-28-,35-33-/t54-/m0/s1",KZNMWCNMPFUCPG,ODVDXMIJSA,N,"TG(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KZNMWCNMPFUCPG-ODVDXMIJSA-N
HMDB48609,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,28-29,33,35,41,44,54H,4-6,8-9,11-15,17-18,22,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,29-28-,35-33-,44-41-/t54-/m0/s1",JJKLAPRFAPRJOG,LTVYIXHASA,N,"TG(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JJKLAPRFAPRJOG-LTVYIXHASA-N
HMDB48610,816.75707632,C53H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20-21,23-24,51H,4-19,22,25-50H2,1-3H3/b23-20-,24-21-/t51-/m1/s1",XKZDHWTXKOHEAH,LFMSVABCSA,N,TG(16:1(9Z)/16:1(9Z)/o-18:0),XKZDHWTXKOHEAH-LFMSVABCSA-N
HMDB48611,828.720690804,C53H96O6,CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h19-24,50H,4-18,25-49H2,1-3H3/b22-19-,23-20-,24-21-",CTVQVPZGEHHSBY,BUTYCLJRSA,N,TG(16:1(9Z)/18:1(11Z)/16:1(9Z)),CTVQVPZGEHHSBY-BUTYCLJRSA-N
HMDB48612,856.75199094,C55H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19-24,52H,4-18,25-51H2,1-3H3/b22-19-,23-20-,24-21-/t52-/m0/s1",FVASQEUWMANRGF,KACSEKLOSA,N,TG(16:1(9Z)/18:1(11Z)/18:1(11Z)),FVASQEUWMANRGF-KACSEKLOSA-N
HMDB48613,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,52H,4-19,22,26,28-51H2,1-3H3/b23-20-,24-21-,27-25-/t52-/m0/s1",MGFTVBFRGRHBJX,NMARCYPWSA,N,TG(16:1(9Z)/18:1(11Z)/18:1(9Z)),MGFTVBFRGRHBJX-NMARCYPWSA-N
HMDB48614,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,54H,4-19,22,26,28-53H2,1-3H3/b23-20-,24-21-,27-25-/t54-/m0/s1",HVIQWNBZDUXPDM,LJQLTSPLSA,N,TG(16:1(9Z)/18:1(11Z)/20:1(11Z)),HVIQWNBZDUXPDM-LJQLTSPLSA-N
HMDB48615,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,30,32,38,41,54H,4-19,22,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b23-20-,24-21-,27-25-,32-30-,41-38-/t54-/m0/s1",JRNCFIBTWGMRER,XHYLUUIBSA,N,"TG(16:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z))",JRNCFIBTWGMRER-XHYLUUIBSA-N
HMDB48616,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,56H,4-19,22,26,28-55H2,1-3H3/b23-20-,24-21-,27-25-/t56-/m0/s1",BPWWTNFDGZGXRK,DAUDFTOLSA,N,TG(16:1(9Z)/18:1(11Z)/22:1(13Z)),BPWWTNFDGZGXRK-DAUDFTOLSA-N
HMDB48617,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,58H,4-19,22,26,28-57H2,1-3H3/b23-20-,24-21-,27-25-/t58-/m0/s1",OAYIGAFUEDTGGM,NVUSDZMUSA,N,TG(16:1(9Z)/18:1(11Z)/24:1(15Z)),OAYIGAFUEDTGGM-NVUSDZMUSA-N
HMDB48618,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,52H,4-15,17-18,22,26,28-51H2,1-3H3/b19-16-,23-20-,24-21-,27-25-/t52-/m0/s1",CREVCBCOPOOZEP,FJBDFYQDSA,N,"TG(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z))",CREVCBCOPOOZEP-FJBDFYQDSA-N
HMDB48619,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,33,36,52H,4-15,17-18,22,26,28-32,34-35,37-51H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,36-33-/t52-/m0/s1",GJUYNZPMUHMLSD,CPBFSUFUSA,N,"TG(16:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))",GJUYNZPMUHMLSD-CPBFSUFUSA-N
HMDB48620,882.767641004,C57H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,54H,4-15,17-18,22,26,28-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-/t54-/m0/s1",XTSQWTDQTZVALB,RLDWNXHBSA,N,TG(16:1(9Z)/18:1(11Z)/20:2n6),XTSQWTDQTZVALB-RLDWNXHBSA-N
HMDB48621,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,30,32,54H,4-15,17-18,22,26,28-29,31,33-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,32-30-/t54-/m0/s1",ORNQRRXFGCNXPC,LGHBDGNLSA,N,TG(16:1(9Z)/18:1(11Z)/20:3n6),ORNQRRXFGCNXPC-LGHBDGNLSA-N
HMDB48622,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,30,32,38,41,54H,4-15,17-18,22,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,32-30-,41-38-/t54-/m0/s1",DREVCVVFKLEXDP,CVNIOHHISA,N,"TG(16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",DREVCVVFKLEXDP-CVNIOHHISA-N
HMDB48623,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,56H,4-15,17-18,22,26,28-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-/t56-/m0/s1",UMQONRIVDQQQFJ,LHSXNKONSA,N,"TG(16:1(9Z)/18:1(11Z)/22:2(13Z,16Z))",UMQONRIVDQQQFJ-LHSXNKONSA-N
HMDB48624,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,29-30,34,37,56H,4-15,17-18,22,26,28,31-33,35-36,38-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-29-,37-34-/t56-/m0/s1",MEZYJNAUKCCOIU,VDEVCTOOSA,N,"TG(16:1(9Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",MEZYJNAUKCCOIU-VDEVCTOOSA-N
HMDB48625,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,29-30,34,37,43,46,56H,4-15,17-18,22,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-29-,37-34-,46-43-/t56-/m0/s1",DZRCGALDZYHBLU,NCMPNBPMSA,N,"TG(16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DZRCGALDZYHBLU-NCMPNBPMSA-N
HMDB48626,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,52H,4-6,8-9,11-15,17-18,22,26,28-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-/t52-/m0/s1",KDCKRLAPPIAVIP,KPKCWFFXSA,N,"TG(16:1(9Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",KDCKRLAPPIAVIP-KPKCWFFXSA-N
HMDB48627,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,33,36,52H,4-6,8-9,11-15,17-18,22,26,28-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,36-33-/t52-/m0/s1",FMXNNHSDQAKPEM,MVDZOCDRSA,N,"TG(16:1(9Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",FMXNNHSDQAKPEM-MVDZOCDRSA-N
HMDB48628,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,30,32,54H,4-6,8-9,11-15,17-18,22,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,32-30-/t54-/m0/s1",GWKADFQPCZKANR,AZRDSVQQSA,N,"TG(16:1(9Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",GWKADFQPCZKANR-AZRDSVQQSA-N
HMDB48629,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,30,32,38,41,54H,4-6,8-9,11-15,17-18,22,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,32-30-,41-38-/t54-/m0/s1",ICNPEJXOXJHXPH,LKWKVKIYSA,N,"TG(16:1(9Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ICNPEJXOXJHXPH-LKWKVKIYSA-N
HMDB48630,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,34,37,56H,4-6,8-9,11-15,17-18,22,26,28,31-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,37-34-/t56-/m0/s1",QVJGEJBUCKLPEJ,FFTFASCGSA,N,"TG(16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QVJGEJBUCKLPEJ-FFTFASCGSA-N
HMDB48631,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,34,37,43,46,56H,4-6,8-9,11-15,17-18,22,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,37-34-,46-43-/t56-/m0/s1",OBEVBHFXQRTJAZ,AAMJSBRJSA,N,"TG(16:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OBEVBHFXQRTJAZ-AAMJSBRJSA-N
HMDB48632,844.788376449,C55H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,53H,4-19,22,25-52H2,1-3H3/b23-20-,24-21-/t53-/m1/s1",VNTPVNLBJJROIU,ZCBSGMBASA,N,TG(16:1(9Z)/18:1(11Z)/o-18:0),VNTPVNLBJJROIU-ZCBSGMBASA-N
HMDB48633,828.720690804,C53H96O6,CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h20-21,23-26,50H,4-19,22,27-49H2,1-3H3/b23-20-,24-21-,26-25-",WSJUMCLBIMYQBU,ULXWNTFBSA,N,TG(16:1(9Z)/18:1(9Z)/16:1(9Z)),WSJUMCLBIMYQBU-ULXWNTFBSA-N
HMDB48634,856.75199094,C55H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,26,28,52H,4-18,20,23,25,27,29-51H2,1-3H3/b22-19-,24-21-,28-26-/t52-/m0/s1",FXVLQYFZVVLQJO,GDLLXJMDSA,N,TG(16:1(9Z)/18:1(9Z)/18:1(11Z)),FXVLQYFZVVLQJO-GDLLXJMDSA-N
HMDB48637,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-27,29-30,32,38,41,54H,4-20,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",FJPOWCDSUMTJMY,HIGJHTSDSA,N,"TG(16:1(9Z)/18:1(9Z)/20:3(5Z,8Z,11Z))",FJPOWCDSUMTJMY-HIGJHTSDSA-N
HMDB48638,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h21,24-27,31,56H,4-20,22-23,28-30,32-55H2,1-3H3/b24-21-,27-25-,31-26-/t56-/m0/s1",BZUOLYMOFNKIJQ,KGBPUBIISA,N,TG(16:1(9Z)/18:1(9Z)/22:1(13Z)),BZUOLYMOFNKIJQ-KGBPUBIISA-N
HMDB48639,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h21,24-27,33,58H,4-20,22-23,28-32,34-57H2,1-3H3/b24-21-,27-25-,33-26-/t58-/m0/s1",OQYXMWZVMDPNIP,LTOBCQMGSA,N,TG(16:1(9Z)/18:1(9Z)/24:1(15Z)),OQYXMWZVMDPNIP-LTOBCQMGSA-N
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HMDB48648,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,52H,4-6,8-9,11-15,17-18,20,22-23,29-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-/t52-/m0/s1",CDPGTJRMESRMBM,HREIPWLJSA,N,"TG(16:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",CDPGTJRMESRMBM-HREIPWLJSA-N
HMDB48649,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,33,36,52H,4-6,8-9,11-15,17-18,20,22-23,29-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,36-33-/t52-/m0/s1",SRYOBUHCWMTNON,MOIFMUACSA,N,"TG(16:1(9Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",SRYOBUHCWMTNON-MOIFMUACSA-N
HMDB48650,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,32,54H,4-6,8-9,11-15,17-18,20,22-23,28,31,33-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,32-30-/t54-/m0/s1",QVJCDPOLQIAJDV,YSMZZJQNSA,N,"TG(16:1(9Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",QVJCDPOLQIAJDV-YSMZZJQNSA-N
HMDB48651,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,32,38,41,54H,4-6,8-9,11-15,17-18,20,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",ZYPFLBVTLWULRJ,XNEUAXCXSA,N,"TG(16:1(9Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZYPFLBVTLWULRJ-XNEUAXCXSA-N
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HMDB48653,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20,22-23,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,31-26-,37-34-,46-43-/t56-/m0/s1",WNPSDDIXKTYRFE,JSSRBDBASA,N,"TG(16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WNPSDDIXKTYRFE-JSSRBDBASA-N
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HMDB48657,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-27,29,54H,4-20,22-23,28,30-53H2,1-3H3/b24-21-,27-25-,29-26-/t54-/m0/s1",BIPVSIKNOFBMKW,XYSPBAOWSA,N,TG(16:1(9Z)/20:1(11Z)/18:1(9Z)),BIPVSIKNOFBMKW-XYSPBAOWSA-N
HMDB48659,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,31,34,40,43,56H,4-20,22-23,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b24-21-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1",IMRHDVSQXHKUQL,AWGPXUERSA,N,"TG(16:1(9Z)/20:1(11Z)/20:3(5Z,8Z,11Z))",IMRHDVSQXHKUQL-AWGPXUERSA-N
HMDB48660,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,58H,4-20,22-23,29-57H2,1-3H3/b24-21-,27-25-,28-26-/t58-/m0/s1",SFTJTIUAYCUEKQ,HGHZMINCSA,N,TG(16:1(9Z)/20:1(11Z)/22:1(13Z)),SFTJTIUAYCUEKQ-HGHZMINCSA-N
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HMDB48662,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,54H,4-16,18-19,22-23,28,30-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-/t54-/m0/s1",UKLOGABOYJJQSN,DPJFVPNFSA,N,"TG(16:1(9Z)/20:1(11Z)/18:2(9Z,12Z))",UKLOGABOYJJQSN-DPJFVPNFSA-N
HMDB48663,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,35,38,54H,4-16,18-19,22-23,28,30-34,36-37,39-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,38-35-/t54-/m0/s1",NAKJXCQFDQFGQP,MMLNGJMZSA,N,"TG(16:1(9Z)/20:1(11Z)/18:3(6Z,9Z,12Z))",NAKJXCQFDQFGQP-MMLNGJMZSA-N
HMDB48664,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,56H,4-15,17-18,20,22-23,29-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t56-/m0/s1",RACQWVDPZDCYJX,ABEZNZOXSA,N,TG(16:1(9Z)/20:1(11Z)/20:2n6),RACQWVDPZDCYJX-ABEZNZOXSA-N
HMDB48665,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,34,56H,4-15,17-18,20,22-23,29-30,32-33,35-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-/t56-/m0/s1",HHBPGWBTCKPMAV,CSTYDRACSA,N,TG(16:1(9Z)/20:1(11Z)/20:3n6),HHBPGWBTCKPMAV-CSTYDRACSA-N
HMDB48667,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,58H,4-15,17-18,20,22-23,29-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t58-/m0/s1",RFURIDCRDPRIJL,CMFUBODHSA,N,"TG(16:1(9Z)/20:1(11Z)/22:2(13Z,16Z))",RFURIDCRDPRIJL-CMFUBODHSA-N
HMDB48668,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,36,39,58H,4-15,17-18,20,22-23,29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,39-36-/t58-/m0/s1",IIRAIXXCPMXIFN,YFSIQJKHSA,N,"TG(16:1(9Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",IIRAIXXCPMXIFN-YFSIQJKHSA-N
HMDB48669,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,36,39,45,48,58H,4-15,17-18,20,22-23,29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,39-36-,48-45-/t58-/m0/s1",LNBRHENQMWSZAN,KJOBAELPSA,N,"TG(16:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LNBRHENQMWSZAN-KJOBAELPSA-N
HMDB48670,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,54H,4-7,9-10,12-16,18-19,22-23,28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-/t54-/m0/s1",JSYBHNVWTXAJTA,DYGHEFCSSA,N,"TG(16:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",JSYBHNVWTXAJTA-DYGHEFCSSA-N
HMDB48671,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,35,38,54H,4-7,9-10,12-16,18-19,22-23,28,30-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,38-35-/t54-/m0/s1",YGTAYDLHWBUFBR,GQLHPFFISA,N,"TG(16:1(9Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",YGTAYDLHWBUFBR-GQLHPFFISA-N
HMDB48672,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,34,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-/t56-/m0/s1",XISIFVIWUKBSQN,IEBODUCOSA,N,"TG(16:1(9Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",XISIFVIWUKBSQN-IEBODUCOSA-N
HMDB48673,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,34,40,43,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1",LKKQWLVQLZLGHJ,JMFOUWMSSA,N,"TG(16:1(9Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LKKQWLVQLZLGHJ-JMFOUWMSSA-N
HMDB48674,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,36,39,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,39-36-/t58-/m0/s1",ZRMDFRUIYRRLHY,GEZSUHLBSA,N,"TG(16:1(9Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZRMDFRUIYRRLHY-GEZSUHLBSA-N
HMDB48675,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,39-36-,48-45-/t58-/m0/s1",DACYNYNEBUOALY,KEMICORTSA,N,"TG(16:1(9Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DACYNYNEBUOALY-KEMICORTSA-N
HMDB48676,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,55H,4-20,22-23,26,28-54H2,1-3H3/b24-21-,27-25-/t55-/m1/s1",FTTJSSLKNHGDFJ,UJZFYVSQSA,N,TG(16:1(9Z)/20:1(11Z)/o-18:0),FTTJSSLKNHGDFJ-UJZFYVSQSA-N
HMDB48677,852.720690804,C55H96O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20-21,23-26,28,31,37,40,52H,4-19,22,27,29-30,32-36,38-39,41-51H2,1-3H3/b23-20-,24-21-,26-25-,31-28-,40-37-",AUMXQCVFWSNALF,PMEIDYDXSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/16:1(9Z))",AUMXQCVFWSNALF-PMEIDYDXSA-N
HMDB48678,880.75199094,C57H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,30,33,39,42,54H,4-19,22,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b23-20-,24-21-,27-25-,33-30-,42-39-/t54-/m0/s1",HRCLBQUOANENCJ,NXKBWLDRSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:1(11Z))",HRCLBQUOANENCJ-NXKBWLDRSA-N
HMDB48679,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-27,29-30,33,39,42,54H,4-20,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b24-21-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",BRUKBMVWXMWLGD,BRFUKUAZSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))",BRUKBMVWXMWLGD-BRFUKUAZSA-N
HMDB48680,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,32,35,41,44,56H,4-20,22-23,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b24-21-,27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",BONBGZABWMHEBF,BTIPHYGPSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:1(11Z))",BONBGZABWMHEBF-BTIPHYGPSA-N
HMDB48681,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,31-32,34-35,40-41,43-44,56H,4-20,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",HNVVAYIRVVOIAO,RRXZWGOXSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",HNVVAYIRVVOIAO-RRXZWGOXSA-N
HMDB48682,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,34,37,43,46,58H,4-20,22-23,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b24-21-,27-25-,28-26-,37-34-,46-43-/t58-/m0/s1",NGYQQUZKUSBESS,KNJABPDSSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:1(13Z))",NGYQQUZKUSBESS-KNJABPDSSA-N
HMDB48683,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,36,39,45,48,60H,4-20,22-23,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b24-21-,27-25-,28-26-,39-36-,48-45-/t60-/m0/s1",KGQWRGYSBBEKHB,WCSUGQLZSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/24:1(15Z))",KGQWRGYSBBEKHB-WCSUGQLZSA-N
HMDB48684,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29-30,33,39,42,54H,4-16,18-19,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",JYEIMXPNDANMJM,USVUBPGESA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",JYEIMXPNDANMJM-USVUBPGESA-N
HMDB48685,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29-30,33,35,38-39,42,54H,4-16,18-19,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",WRSQITMBMIXALR,LGFQYUCLSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",WRSQITMBMIXALR-LGFQYUCLSA-N
HMDB48686,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,32,35,41,44,56H,4-15,17-18,20,22-23,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",RUAJSAQMQFOKAX,IOHCRSHXSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:2n6)",RUAJSAQMQFOKAX-IOHCRSHXSA-N
HMDB48687,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,41,44,56H,4-15,17-18,20,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",SEDCFZVTDXYLTG,ICEDEMGKSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:3n6)",SEDCFZVTDXYLTG-ICEDEMGKSA-N
HMDB48688,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,40-41,43-44,56H,4-15,17-18,20,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",UPKQPNNXQRKSBB,VUXKMAPZSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",UPKQPNNXQRKSBB-VUXKMAPZSA-N
HMDB48689,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,34,37,43,46,58H,4-15,17-18,20,22-23,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,37-34-,46-43-/t58-/m0/s1",LRXFPPZPIZXSGL,QGBLCDEYSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",LRXFPPZPIZXSGL-QGBLCDEYSA-N
HMDB48690,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,34,36-37,39,43,46,58H,4-15,17-18,20,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",JBONUQLBQLUKDI,LDIDHMKKSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",JBONUQLBQLUKDI-LDIDHMKKSA-N
HMDB48691,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-15,17-18,20,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",YJWNJUSHAOQALF,POKWTJRBSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YJWNJUSHAOQALF-POKWTJRBSA-N
HMDB48692,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,33,39,42,54H,4-7,9-10,12-16,18-19,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",NTNNQLXGSRQAJZ,TUKRVLBWSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",NTNNQLXGSRQAJZ-TUKRVLBWSA-N
HMDB48693,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,33,35,38-39,42,54H,4-7,9-10,12-16,18-19,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",MHLKRSAMLARJLX,LCTVPJRDSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",MHLKRSAMLARJLX-LCTVPJRDSA-N
HMDB48694,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31-32,34-35,41,44,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",PODJAZMZKSOOQW,OPXDTIIBSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",PODJAZMZKSOOQW-OPXDTIIBSA-N
HMDB48695,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31-32,34-35,40-41,43-44,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",YKSVCFOMADIPHE,ZQVSYAHOSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YKSVCFOMADIPHE-ZQVSYAHOSA-N
HMDB48696,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,34,36-37,39,43,46,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",QOAFLIFNFSLSSB,VVDKPVELSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QOAFLIFNFSLSSB-VVDKPVELSA-N
HMDB48697,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",SWXZFDCRYBOUJZ,ZWOGKFQZSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SWXZFDCRYBOUJZ-ZWOGKFQZSA-N
HMDB48698,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,39,42,55H,4-20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b24-21-,27-25-,33-30-,42-39-/t55-/m1/s1",JTOXJDDZUMEKEU,MEZFIFTBSA,N,"TG(16:1(9Z)/20:3(5Z,8Z,11Z)/o-18:0)",JTOXJDDZUMEKEU-MEZFIFTBSA-N
HMDB48699,884.78329106,C57H104O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20-21,23-26,54H,4-19,22,27-53H2,1-3H3/b23-20-,24-21-,26-25-",DFMOOXJLNYMJDV,ULXWNTFBSA,N,TG(16:1(9Z)/22:1(13Z)/16:1(9Z)),DFMOOXJLNYMJDV-ULXWNTFBSA-N
HMDB48700,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,56H,4-19,22,26,28-55H2,1-3H3/b23-20-,24-21-,27-25-/t56-/m0/s1",MJHWHYOLHSHLSL,DAUDFTOLSA,N,TG(16:1(9Z)/22:1(13Z)/18:1(11Z)),MJHWHYOLHSHLSL-DAUDFTOLSA-N
HMDB48701,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h21,24-27,31,56H,4-20,22-23,28-30,32-55H2,1-3H3/b24-21-,27-25-,31-26-/t56-/m0/s1",OLZMTXOYDUCARW,KGBPUBIISA,N,TG(16:1(9Z)/22:1(13Z)/18:1(9Z)),OLZMTXOYDUCARW-KGBPUBIISA-N
HMDB48702,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,58H,4-20,22-23,29-57H2,1-3H3/b24-21-,27-25-,28-26-/t58-/m0/s1",LKBYQEQTTQMXOC,HGHZMINCSA,N,TG(16:1(9Z)/22:1(13Z)/20:1(11Z)),LKBYQEQTTQMXOC-HGHZMINCSA-N
HMDB48703,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,33,36,42,45,58H,4-20,22-23,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b24-21-,27-25-,28-26-,36-33-,45-42-/t58-/m0/s1",PJKGRKSPVSBUPF,WILUTFFOSA,N,"TG(16:1(9Z)/22:1(13Z)/20:3(5Z,8Z,11Z))",PJKGRKSPVSBUPF-WILUTFFOSA-N
HMDB48704,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,60H,4-20,22-23,29-59H2,1-3H3/b24-21-,27-25-,28-26-/t60-/m0/s1",ZZBKGDIMYDDPOX,TZDGBVHQSA,N,TG(16:1(9Z)/22:1(13Z)/22:1(13Z)),ZZBKGDIMYDDPOX-TZDGBVHQSA-N
HMDB48705,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,62H,4-20,22-23,29-61H2,1-3H3/b24-21-,27-25-,28-26-/t62-/m0/s1",KOJVSANAMVNSGJ,QFLDDGFBSA,N,TG(16:1(9Z)/22:1(13Z)/24:1(15Z)),KOJVSANAMVNSGJ-QFLDDGFBSA-N
HMDB48706,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,31,56H,4-16,18-19,22-23,28-30,32-55H2,1-3H3/b20-17-,24-21-,27-25-,31-26-/t56-/m0/s1",FLBOIPCQWLKBFM,FXSVAISHSA,N,"TG(16:1(9Z)/22:1(13Z)/18:2(9Z,12Z))",FLBOIPCQWLKBFM-FXSVAISHSA-N
HMDB48707,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,31,37,40,56H,4-16,18-19,22-23,28-30,32-36,38-39,41-55H2,1-3H3/b20-17-,24-21-,27-25-,31-26-,40-37-/t56-/m0/s1",KVOQNGJUTJWXTA,LHDVIFSQSA,N,"TG(16:1(9Z)/22:1(13Z)/18:3(6Z,9Z,12Z))",KVOQNGJUTJWXTA-LHDVIFSQSA-N
HMDB48708,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,58H,4-16,18-19,22-23,29-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-/t58-/m0/s1",RVCBRFVHTZWGMW,ASHUIHEYSA,N,TG(16:1(9Z)/22:1(13Z)/20:2n6),RVCBRFVHTZWGMW-ASHUIHEYSA-N
HMDB48709,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,36,58H,4-16,18-19,22-23,29-32,34-35,37-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,36-33-/t58-/m0/s1",FSWBKGJSFFCJCE,KQJGNMNHSA,N,TG(16:1(9Z)/22:1(13Z)/20:3n6),FSWBKGJSFFCJCE-KQJGNMNHSA-N
HMDB48710,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,36,42,45,58H,4-16,18-19,22-23,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,36-33-,45-42-/t58-/m0/s1",ZRTNSCHIARMFIY,RIJLPOGOSA,N,"TG(16:1(9Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",ZRTNSCHIARMFIY-RIJLPOGOSA-N
HMDB48711,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,60H,4-15,17-18,20,22-23,29-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t60-/m0/s1",BOXFXXYECNCIFC,WWFHVJJSSA,N,"TG(16:1(9Z)/22:1(13Z)/22:2(13Z,16Z))",BOXFXXYECNCIFC-WWFHVJJSSA-N
HMDB48712,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,33,38,41,60H,4-15,17-18,20,22-23,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,33-31-,41-38-/t60-/m0/s1",CHXNIWLFFFQXQY,WJGYWGQGSA,N,"TG(16:1(9Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",CHXNIWLFFFQXQY-WJGYWGQGSA-N
HMDB48713,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,33-31-,41-38-,50-47-/t60-/m0/s1",QABSNPIEJTUMEL,AQMJQOQQSA,N,"TG(16:1(9Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QABSNPIEJTUMEL-AQMJQOQQSA-N
HMDB48714,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-/t56-/m0/s1",XOSVERZEPATIOQ,QBSXBMMISA,N,"TG(16:1(9Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",XOSVERZEPATIOQ-QBSXBMMISA-N
HMDB48715,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,37,40,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-,40-37-/t56-/m0/s1",CWJDDWLDYZSNDV,OLTIIIDASA,N,"TG(16:1(9Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",CWJDDWLDYZSNDV-OLTIIIDASA-N
HMDB48716,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,58H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-/t58-/m0/s1",ZTSWYYCHIHHRFF,UPBPADPNSA,N,"TG(16:1(9Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",ZTSWYYCHIHHRFF-UPBPADPNSA-N
HMDB48717,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,42,45,58H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-,45-42-/t58-/m0/s1",HDTUVCDLJNJQPL,GISAIFFMSA,N,"TG(16:1(9Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HDTUVCDLJNJQPL-GISAIFFMSA-N
HMDB48718,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,33-31-,41-38-/t60-/m0/s1",BFQBSXPJDIFXDV,STRJMHEPSA,N,"TG(16:1(9Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BFQBSXPJDIFXDV-STRJMHEPSA-N
HMDB48719,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,33-31-,41-38-,50-47-/t60-/m0/s1",LXYLTKFBCPXRRN,HDIRYVEKSA,N,"TG(16:1(9Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LXYLTKFBCPXRRN-HDIRYVEKSA-N
HMDB48720,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,57H,4-20,22-23,26,28-56H2,1-3H3/b24-21-,27-25-/t57-/m1/s1",UCAVRBQATPCINL,WOQPDSBWSA,N,TG(16:1(9Z)/22:1(13Z)/o-18:0),UCAVRBQATPCINL-WOQPDSBWSA-N
HMDB48721,912.814591188,C59H108O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h20-21,23-26,56H,4-19,22,27-55H2,1-3H3/b23-20-,24-21-,26-25-",OPJNWWLYSYCIKC,ULXWNTFBSA,N,TG(16:1(9Z)/24:1(15Z)/16:1(9Z)),OPJNWWLYSYCIKC-ULXWNTFBSA-N
HMDB48722,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,58H,4-19,22,26,28-57H2,1-3H3/b23-20-,24-21-,27-25-/t58-/m0/s1",STEWTUZWAFGDIQ,NVUSDZMUSA,N,TG(16:1(9Z)/24:1(15Z)/18:1(11Z)),STEWTUZWAFGDIQ-NVUSDZMUSA-N
HMDB48723,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h21,24-27,33,58H,4-20,22-23,28-32,34-57H2,1-3H3/b24-21-,27-25-,33-26-/t58-/m0/s1",IDVKFTSFXLYDBH,LTOBCQMGSA,N,TG(16:1(9Z)/24:1(15Z)/18:1(9Z)),IDVKFTSFXLYDBH-LTOBCQMGSA-N
HMDB48724,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,60H,4-20,22-23,29-59H2,1-3H3/b24-21-,27-25-,28-26-/t60-/m0/s1",AQYFFCAUDMUBEY,TZDGBVHQSA,N,TG(16:1(9Z)/24:1(15Z)/20:1(11Z)),AQYFFCAUDMUBEY-TZDGBVHQSA-N
HMDB48725,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,35,38,44,47,60H,4-20,22-23,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b24-21-,27-25-,28-26-,38-35-,47-44-/t60-/m0/s1",OXIPRMUYAGLPPY,ZYXFBPIPSA,N,"TG(16:1(9Z)/24:1(15Z)/20:3(5Z,8Z,11Z))",OXIPRMUYAGLPPY-ZYXFBPIPSA-N
HMDB48726,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,62H,4-20,22-23,29-61H2,1-3H3/b24-21-,27-25-,28-26-/t62-/m0/s1",HHAPZGLGGJNFLX,QFLDDGFBSA,N,TG(16:1(9Z)/24:1(15Z)/22:1(13Z)),HHAPZGLGGJNFLX-QFLDDGFBSA-N
HMDB48727,1024.939791713,C67H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,64H,4-20,22-23,29-63H2,1-3H3/b24-21-,27-25-,28-26-/t64-/m0/s1",CDTJCBASGXMLCU,VJGJLZKASA,N,TG(16:1(9Z)/24:1(15Z)/24:1(15Z)),CDTJCBASGXMLCU-VJGJLZKASA-N
HMDB48728,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,33,58H,4-16,18-19,22-23,28-32,34-57H2,1-3H3/b20-17-,24-21-,27-25-,33-26-/t58-/m0/s1",HQJQLIWBFMBNJL,KZRWCJBRSA,N,"TG(16:1(9Z)/24:1(15Z)/18:2(9Z,12Z))",HQJQLIWBFMBNJL-KZRWCJBRSA-N
HMDB48729,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,33,39,42,58H,4-16,18-19,22-23,28-32,34-38,40-41,43-57H2,1-3H3/b20-17-,24-21-,27-25-,33-26-,42-39-/t58-/m0/s1",UYECSSAAZCXUMY,NHKRWVRKSA,N,"TG(16:1(9Z)/24:1(15Z)/18:3(6Z,9Z,12Z))",UYECSSAAZCXUMY-NHKRWVRKSA-N
HMDB48730,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,60H,4-16,18-19,22-23,29-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-/t60-/m0/s1",ZULRYZCUNGPAHY,BFNALKGSSA,N,TG(16:1(9Z)/24:1(15Z)/20:2n6),ZULRYZCUNGPAHY-BFNALKGSSA-N
HMDB48731,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,35,38,60H,4-16,18-19,22-23,29-34,36-37,39-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,38-35-/t60-/m0/s1",PKTUULQXDIEYDT,IXCCZORYSA,N,TG(16:1(9Z)/24:1(15Z)/20:3n6),PKTUULQXDIEYDT-IXCCZORYSA-N
HMDB48732,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,35,38,44,47,60H,4-16,18-19,22-23,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,38-35-,47-44-/t60-/m0/s1",MYSDZTIORDWFIW,NGIVGCJJSA,N,"TG(16:1(9Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",MYSDZTIORDWFIW-NGIVGCJJSA-N
HMDB48733,994.89284152,C65H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,62H,4-16,18-19,22-23,29-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-/t62-/m0/s1",RATRWTUVKYMTGL,AEEVUHDCSA,N,"TG(16:1(9Z)/24:1(15Z)/22:2(13Z,16Z))",RATRWTUVKYMTGL-AEEVUHDCSA-N
HMDB48734,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,35,40,43,62H,4-16,18-19,22-23,29-32,34,36-39,41-42,44-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,35-33-,43-40-/t62-/m0/s1",WPANUNVYGKVPJC,HYPRCJFJSA,N,"TG(16:1(9Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",WPANUNVYGKVPJC-HYPRCJFJSA-N
HMDB48735,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,35,40,43,49,52,62H,4-16,18-19,22-23,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,35-33-,43-40-,52-49-/t62-/m0/s1",PJSVMTASNVGCNY,RAAHUZAASA,N,"TG(16:1(9Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PJSVMTASNVGCNY-RAAHUZAASA-N
HMDB48736,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-/t58-/m0/s1",VZGWKPGXLQIWEV,JLTDHJABSA,N,"TG(16:1(9Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",VZGWKPGXLQIWEV-JLTDHJABSA-N
HMDB48737,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,39,42,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-,42-39-/t58-/m0/s1",XRWYAFXMSFXZGD,WLYMCBTESA,N,"TG(16:1(9Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",XRWYAFXMSFXZGD-WLYMCBTESA-N
HMDB48738,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,35,38,60H,4-7,9-10,12-16,18-19,22-23,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,38-35-/t60-/m0/s1",GCZJDCKDLSIPSW,FHYOPNKYSA,N,"TG(16:1(9Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",GCZJDCKDLSIPSW-FHYOPNKYSA-N
HMDB48739,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,35,38,44,47,60H,4-7,9-10,12-16,18-19,22-23,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,38-35-,47-44-/t60-/m0/s1",GDEQBKDKFUFOGF,COXIUUPASA,N,"TG(16:1(9Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",GDEQBKDKFUFOGF-COXIUUPASA-N
HMDB48740,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,35,40,43,62H,4-7,9-10,12-16,18-19,22-23,29-32,34,36-39,41-42,44-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-33-,43-40-/t62-/m0/s1",AFUJRDVKJISHQP,FYASJIOTSA,N,"TG(16:1(9Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AFUJRDVKJISHQP-FYASJIOTSA-N
HMDB48741,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,35,40,43,49,52,62H,4-7,9-10,12-16,18-19,22-23,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-33-,43-40-,52-49-/t62-/m0/s1",OKNASQVAXBVIAK,CWNKDHJGSA,N,"TG(16:1(9Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OKNASQVAXBVIAK-CWNKDHJGSA-N
HMDB48742,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-59(58-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,59H,4-20,22-23,26,28-58H2,1-3H3/b24-21-,27-25-/t59-/m1/s1",OXJWMXOKVXQQKX,JLSFSZCSSA,N,TG(16:1(9Z)/24:1(15Z)/o-18:0),OXJWMXOKVXQQKX-JLSFSZCSSA-N
HMDB48743,826.705040747,C53H94O6,[H]C(COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-21,23-26,50H,4-15,17-18,22,27-49H2,1-3H3/b19-16-,23-20-,24-21-,26-25-",PDBJSNHIVXKEOI,BGWVPBAESA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/16:1(9Z))",PDBJSNHIVXKEOI-BGWVPBAESA-N
HMDB48744,854.736340876,C55H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,19-22,24,26,28,52H,4-16,18,23,25,27,29-51H2,1-3H3/b20-17-,22-19-,24-21-,28-26-/t52-/m0/s1",JAHLDRUOUSEJPJ,PTEXXFJGSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/18:1(11Z))",JAHLDRUOUSEJPJ-PTEXXFJGSA-N
HMDB48745,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,52H,4-16,18-19,22-23,29-51H2,1-3H3/b20-17-,24-21-,27-25-,28-26-/t52-/m0/s1",HGGWNCIUHQYZSC,WRBJQPSJSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/18:1(9Z))",HGGWNCIUHQYZSC-WRBJQPSJSA-N
HMDB48747,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29-30,32,38,41,54H,4-16,18-19,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",IKXGUPIDNNHMEW,WAHVTDQMSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",IKXGUPIDNNHMEW-WAHVTDQMSA-N
HMDB48748,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,31,56H,4-16,18-19,22-23,28-30,32-55H2,1-3H3/b20-17-,24-21-,27-25-,31-26-/t56-/m0/s1",NZZYFVRSPCANBF,FXSVAISHSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/22:1(13Z))",NZZYFVRSPCANBF-FXSVAISHSA-N
HMDB48749,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,33,58H,4-16,18-19,22-23,28-32,34-57H2,1-3H3/b20-17-,24-21-,27-25-,33-26-/t58-/m0/s1",SPGXNOUOYUPBSF,KZRWCJBRSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/24:1(15Z))",SPGXNOUOYUPBSF-KZRWCJBRSA-N
HMDB48751,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33,36,52H,4-15,18,22-23,29-32,34-35,37-51H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-/t52-/m0/s1",PQHJIINABGQWDK,QNHVSPPMSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",PQHJIINABGQWDK-QNHVSPPMSA-N
HMDB48752,880.75199094,C57H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29,54H,4-15,18,22-23,28,30-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-/t54-/m0/s1",PASRUCZTFLIYBM,VHWXVXHCSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/20:2n6)",PASRUCZTFLIYBM-VHWXVXHCSA-N
HMDB48753,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,32,54H,4-15,18,22-23,28,31,33-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,32-30-/t54-/m0/s1",FMRKXOSKBRKVCM,HRAJTIBLSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/20:3n6)",FMRKXOSKBRKVCM-HRAJTIBLSA-N
HMDB48755,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,31,56H,4-15,18,22-23,28-30,32-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,31-26-/t56-/m0/s1",UGCWXAQNTKIENY,MANMSMRESA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/22:2(13Z,16Z))",UGCWXAQNTKIENY-MANMSMRESA-N
HMDB48756,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-31,34,37,56H,4-15,18,22-23,28,32-33,35-36,38-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-/t56-/m0/s1",MKWJAGYUBILDAL,NOIHFNPSSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",MKWJAGYUBILDAL-NOIHFNPSSA-N
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HMDB48758,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,52H,4-6,8-9,11-15,18,22-23,29-51H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-/t52-/m0/s1",NOOJQDXMGLPOOA,UJLFLSCOSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",NOOJQDXMGLPOOA-UJLFLSCOSA-N
HMDB48759,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,33,36,52H,4-6,8-9,11-15,18,22-23,29-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-/t52-/m0/s1",CMQKNURFVKDTED,HQIPLBRRSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",CMQKNURFVKDTED-HQIPLBRRSA-N
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HMDB48761,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,32,38,41,54H,4-6,8-9,11-15,18,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",WVSDNSFUOYSLDY,PVRSMMPFSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WVSDNSFUOYSLDY-PVRSMMPFSA-N
HMDB48762,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,34,37,56H,4-6,8-9,11-15,18,22-23,28,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-/t56-/m0/s1",VZUDVGCBUHDRAX,VVRBNULBSA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VZUDVGCBUHDRAX-VVRBNULBSA-N
HMDB48763,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,34,37,43,46,56H,4-6,8-9,11-15,18,22-23,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,46-43-/t56-/m0/s1",NPWRXJYSKONMPV,SRVQGIHESA,N,"TG(16:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NPWRXJYSKONMPV-SRVQGIHESA-N
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HMDB48765,824.689390676,C53H92O6,CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-21,23-26,32,35,50H,4-15,17-18,22,27-31,33-34,36-49H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,35-32-",UWPKTHALFGRKNW,ZVIPWAHGSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/16:1(9Z))",UWPKTHALFGRKNW-ZVIPWAHGSA-N
HMDB48766,852.720690811,C55H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,19-22,24,26,28,34,37,52H,4-16,18,23,25,27,29-33,35-36,38-51H2,1-3H3/b20-17-,22-19-,24-21-,28-26-,37-34-/t52-/m0/s1",HJJGKDWWDQGJME,CKJOLKHOSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:1(11Z))",HJJGKDWWDQGJME-CKJOLKHOSA-N
HMDB48767,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,34,37,52H,4-16,18-19,22-23,29-33,35-36,38-51H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,37-34-/t52-/m0/s1",XUOLMCLGWGLYGT,APUPBLNDSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z))",XUOLMCLGWGLYGT-APUPBLNDSA-N
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HMDB48770,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,31,38,41,56H,4-16,18-19,22-23,28-30,32-37,39-40,42-55H2,1-3H3/b20-17-,24-21-,27-25-,31-26-,41-38-/t56-/m0/s1",JYIYNCDYMCUFFY,SWTXFNAYSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:1(13Z))",JYIYNCDYMCUFFY-SWTXFNAYSA-N
HMDB48771,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,33,40,43,58H,4-16,18-19,22-23,28-32,34-39,41-42,44-57H2,1-3H3/b20-17-,24-21-,27-25-,33-26-,43-40-/t58-/m0/s1",UDPIUQQUKMWVJA,YISFITLJSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/24:1(15Z))",UDPIUQQUKMWVJA-YISFITLJSA-N
HMDB48772,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,34,37,52H,4-15,18,22-23,29-33,35-36,38-51H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,37-34-/t52-/m0/s1",ZCEHXYFAYYTLNZ,PNMCRLMOSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",ZCEHXYFAYYTLNZ-PNMCRLMOSA-N
HMDB48773,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33-34,36-37,52H,4-15,18,22-23,29-32,35,38-51H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,37-34-/t52-/m0/s1",DZDQEFHVEHQVQQ,YIHRKIEOSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",DZDQEFHVEHQVQQ-YIHRKIEOSA-N
HMDB48774,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29,36,39,54H,4-15,18,22-23,28,30-35,37-38,40-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,39-36-/t54-/m0/s1",XZYPNCDNAQJUNT,NAXLMZSYSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:2n6)",XZYPNCDNAQJUNT-NAXLMZSYSA-N
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HMDB48779,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-31,34,37-38,41,43,46,56H,4-15,18,22-23,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-/t56-/m0/s1",YSXJWNGVILWQDX,AVCRWDDHSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YSXJWNGVILWQDX-AVCRWDDHSA-N
HMDB48780,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,34,37,52H,4-6,8-9,11-15,18,22-23,29-33,35-36,38-51H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,37-34-/t52-/m0/s1",UEQKHHMLYMTCNP,BZKUEPMYSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",UEQKHHMLYMTCNP-BZKUEPMYSA-N
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HMDB48782,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,32,36,39,54H,4-6,8-9,11-15,18,22-23,28,31,33-35,37-38,40-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-/t54-/m0/s1",ILHTYIPVHGVGAR,SUUBAJCESA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",ILHTYIPVHGVGAR-SUUBAJCESA-N
HMDB48783,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,32,36,38-39,41,54H,4-6,8-9,11-15,18,22-23,28,31,33-35,37,40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-,41-38-/t54-/m0/s1",PFKJVUBNWOIABQ,HLKUYKNTSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PFKJVUBNWOIABQ-HLKUYKNTSA-N
HMDB48784,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,34,37-38,41,56H,4-6,8-9,11-15,18,22-23,28,32-33,35-36,39-40,42-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-/t56-/m0/s1",XEVQMHZJFRSFOB,KAJSVWELSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XEVQMHZJFRSFOB-KAJSVWELSA-N
HMDB48785,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,34,37-38,41,43,46,56H,4-6,8-9,11-15,18,22-23,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-/t56-/m0/s1",IFQNLTWCIPVCQY,MAAPKKQLSA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IFQNLTWCIPVCQY-MAAPKKQLSA-N
HMDB48786,840.75707632,C55H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,53H,4-16,18-19,22-23,25,27,29-33,35-36,38-52H2,1-3H3/b20-17-,24-21-,28-26-,37-34-/t53-/m1/s1",BJSHTQAQCLUKRS,OZOPOJSASA,N,"TG(16:1(9Z)/18:3(6Z,9Z,12Z)/o-18:0)",BJSHTQAQCLUKRS-OZOPOJSASA-N
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HMDB48789,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29,54H,4-15,17-18,20,22-23,28,30-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-/t54-/m0/s1",GARPFACGXFDLSO,UDEYGTCASA,N,TG(16:1(9Z)/20:2n6/18:1(9Z)),GARPFACGXFDLSO-UDEYGTCASA-N
HMDB48790,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,56H,4-16,18-19,22-23,29-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-/t56-/m0/s1",CZLFJRQEOGKOGV,GEIXKULXSA,N,TG(16:1(9Z)/20:2n6/20:1(11Z)),CZLFJRQEOGKOGV-GEIXKULXSA-N
HMDB48791,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,31,34,40,43,56H,4-16,18-19,22-23,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1",ITSUTQOEEARFRV,GMEZJNPVSA,N,"TG(16:1(9Z)/20:2n6/20:3(5Z,8Z,11Z))",ITSUTQOEEARFRV-GMEZJNPVSA-N
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HMDB48813,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,31-32,34-35,40,43,56H,4-16,18-19,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m0/s1",SSLNOTWYFYZZSC,NKHNPTTMSA,N,"TG(16:1(9Z)/20:3n6/20:3(5Z,8Z,11Z))",SSLNOTWYFYZZSC-NKHNPTTMSA-N
HMDB48814,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,34,37,58H,4-16,18-19,22-23,29-33,35-36,38-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,37-34-/t58-/m0/s1",BZVXUEWJUDHMOM,NYLMRQHVSA,N,TG(16:1(9Z)/20:3n6/22:1(13Z)),BZVXUEWJUDHMOM-NYLMRQHVSA-N
HMDB48815,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,36,39,60H,4-16,18-19,22-23,29-35,37-38,40-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,39-36-/t60-/m0/s1",KMLLHGHUQWACBE,FBBDNOKLSA,N,TG(16:1(9Z)/20:3n6/24:1(15Z)),KMLLHGHUQWACBE-FBBDNOKLSA-N
HMDB48816,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,33,54H,4-15,18,22-23,28,31-32,34-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,33-30-/t54-/m0/s1",NZGKUTGCAMAEDI,MYPFOZHYSA,N,"TG(16:1(9Z)/20:3n6/18:2(9Z,12Z))",NZGKUTGCAMAEDI-MYPFOZHYSA-N
HMDB48817,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,33,35,38,54H,4-15,18,22-23,28,31-32,34,36-37,39-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-/t54-/m0/s1",FVBJPRBQRSNJMM,DVNFWEHZSA,N,"TG(16:1(9Z)/20:3n6/18:3(6Z,9Z,12Z))",FVBJPRBQRSNJMM-DVNFWEHZSA-N
HMDB48818,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,32,35,56H,4-15,18,22-23,29-31,33-34,36-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,35-32-/t56-/m0/s1",AITFNYBCYXUKNI,JTWJPVJGSA,N,TG(16:1(9Z)/20:3n6/20:2n6),AITFNYBCYXUKNI-JTWJPVJGSA-N
HMDB48819,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,56H,4-15,18,22-23,29-30,33,36-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-/t56-/m0/s1",MWQOYXMDJDOFKG,RXLVFQSASA,N,TG(16:1(9Z)/20:3n6/20:3n6),MWQOYXMDJDOFKG-RXLVFQSASA-N
HMDB48820,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,40,43,56H,4-15,18,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m0/s1",NOUZEDGUSOSNKE,YWUKZUKOSA,N,"TG(16:1(9Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))",NOUZEDGUSOSNKE-YWUKZUKOSA-N
HMDB48821,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,34,37,58H,4-15,18,22-23,29-33,35-36,38-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,37-34-/t58-/m0/s1",OWMDGGXRMBNZKX,ADZFSDORSA,N,"TG(16:1(9Z)/20:3n6/22:2(13Z,16Z))",OWMDGGXRMBNZKX-ADZFSDORSA-N
HMDB48822,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32,34,36-37,39,58H,4-15,18,22-23,29,31,33,35,38,40-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-/t58-/m0/s1",HWQSKEZJJXZYQP,NPHSXGRISA,N,"TG(16:1(9Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))",HWQSKEZJJXZYQP-NPHSXGRISA-N
HMDB48823,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32,34,36-37,39,45,48,58H,4-15,18,22-23,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-/t58-/m0/s1",CCRQDUIHEJMYEN,VTQICEONSA,N,"TG(16:1(9Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",CCRQDUIHEJMYEN-VTQICEONSA-N
HMDB48824,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,54H,4-7,9-10,12-15,18,22-23,28,31-32,34-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-/t54-/m0/s1",KRLJSVKUYSBZLR,SNKWIPLVSA,N,"TG(16:1(9Z)/20:3n6/18:3(9Z,12Z,15Z))",KRLJSVKUYSBZLR-SNKWIPLVSA-N
HMDB48825,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,35,38,54H,4-7,9-10,12-15,18,22-23,28,31-32,34,36-37,39-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-/t54-/m0/s1",BLIBAGRBVUUJPL,XHFULXRJSA,N,"TG(16:1(9Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))",BLIBAGRBVUUJPL-XHFULXRJSA-N
HMDB48826,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-/t56-/m0/s1",DLLNYILRJUEBTM,QPDKSODMSA,N,"TG(16:1(9Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))",DLLNYILRJUEBTM-QPDKSODMSA-N
HMDB48827,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,40,43,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m0/s1",VKYKIUHFHBYWIQ,WBLOQSKGSA,N,"TG(16:1(9Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",VKYKIUHFHBYWIQ-WBLOQSKGSA-N
HMDB48828,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32,34,36-37,39,58H,4-6,8-9,11-15,18,22-23,29,31,33,35,38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-/t58-/m0/s1",MYCRDURMWCNEET,PWDHGYIYSA,N,"TG(16:1(9Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",MYCRDURMWCNEET-PWDHGYIYSA-N
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HMDB48830,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-/t55-/m1/s1",PTGPQOIWPOHYSI,AHPWZIASSA,N,TG(16:1(9Z)/20:3n6/o-18:0),PTGPQOIWPOHYSI-AHPWZIASSA-N
HMDB48831,850.70504074,C55H94O6,CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h16,19-21,23-26,28,31,37,40,52H,4-15,17-18,22,27,29-30,32-36,38-39,41-51H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,31-28-,40-37-",CHRYHUJWYCMPNN,MPNNAWNSSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",CHRYHUJWYCMPNN-MPNNAWNSSA-N
HMDB48832,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,30,33,39,42,54H,4-15,17-18,22,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,33-30-,42-39-/t54-/m0/s1",XBTLFBRVRBFYBP,UKUJWNIYSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",XBTLFBRVRBFYBP-UKUJWNIYSA-N
HMDB48833,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-30,33,39,42,54H,4-15,17-18,20,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",DRXAIIBXLKDWKJ,QHIBIUACSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",DRXAIIBXLKDWKJ-QHIBIUACSA-N
HMDB48834,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,32,35,41,44,56H,4-16,18-19,22-23,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",RLABTKQRSOMLGR,CJHMTKDSSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",RLABTKQRSOMLGR-CJHMTKDSSA-N
HMDB48835,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,31-32,34-35,40-41,43-44,56H,4-16,18-19,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",PYXZPSAQTOZYEM,YECSKOGBSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",PYXZPSAQTOZYEM-YECSKOGBSA-N
HMDB48836,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,34,37,43,46,58H,4-16,18-19,22-23,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,37-34-,46-43-/t58-/m0/s1",IORHWEVOWYUXPG,ZUUIHTGXSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",IORHWEVOWYUXPG-ZUUIHTGXSA-N
HMDB48837,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,36,39,45,48,60H,4-16,18-19,22-23,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,39-36-,48-45-/t60-/m0/s1",FFSBYDWZGXLHOR,ZIMBHKEYSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",FFSBYDWZGXLHOR-ZIMBHKEYSA-N
HMDB48838,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,33,39,42,54H,4-15,18,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",DXVUHFXLPMUVLI,IDXOCULVSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",DXVUHFXLPMUVLI-IDXOCULVSA-N
HMDB48839,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,33,35,38-39,42,54H,4-15,18,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",DLOZXLWQVHWMHC,NIHARVHFSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",DLOZXLWQVHWMHC-NIHARVHFSA-N
HMDB48840,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,32,35,41,44,56H,4-15,18,22-23,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",SGEHBFFBJLUMEW,LFERNGBKSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)",SGEHBFFBJLUMEW-LFERNGBKSA-N
HMDB48841,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,41,44,56H,4-15,18,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",LFHURSZSTBJFFI,IECZJCDNSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)",LFHURSZSTBJFFI-IECZJCDNSA-N
HMDB48843,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,34,37,43,46,58H,4-15,18,22-23,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,37-34-,46-43-/t58-/m0/s1",YEUHRLANRVMTPM,UKOAMLKJSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",YEUHRLANRVMTPM-UKOAMLKJSA-N
HMDB48844,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32,34,36-37,39,43,46,58H,4-15,18,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",KWNVVTCIPJXTRC,ZSCCCFDGSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",KWNVVTCIPJXTRC-ZSCCCFDGSA-N
HMDB48845,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-15,18,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",FARJXFHQIBPRRK,MCQDRIRZSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FARJXFHQIBPRRK-MCQDRIRZSA-N
HMDB48846,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,39,42,54H,4-7,9-10,12-15,18,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",MCWMMOUYWMBWCY,XTOATUGSSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",MCWMMOUYWMBWCY-XTOATUGSSA-N
HMDB48847,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,35,38-39,42,54H,4-7,9-10,12-15,18,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",KQHOVJATCWODMY,PMBWYWSDSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",KQHOVJATCWODMY-PMBWYWSDSA-N
HMDB48848,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,41,44,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",IEMZZKBCGPBDKP,CWEVJLAESA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",IEMZZKBCGPBDKP-CWEVJLAESA-N
HMDB48849,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,40-41,43-44,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",BEBUTDCJFHMSNN,YZKKEJAHSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BEBUTDCJFHMSNN-YZKKEJAHSA-N
HMDB48850,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32,34,36-37,39,43,46,58H,4-6,8-9,11-15,18,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",NMLRAUKEEAODLT,KIKFWBLOSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NMLRAUKEEAODLT-KIKFWBLOSA-N
HMDB48851,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,8-9,11-15,18,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",WHDYIBJFERAONB,SLMFPZSOSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WHDYIBJFERAONB-SLMFPZSOSA-N
HMDB48852,866.772726384,C57H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,39,42,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-,42-39-/t55-/m1/s1",AHGKMUVICCTCFM,XJGXMFLQSA,N,"TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)",AHGKMUVICCTCFM-XJGXMFLQSA-N
HMDB48853,882.767640996,C57H102O6,CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-21,23-26,54H,4-15,17-18,22,27-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-",FLBFFPPBNOZWBA,BGWVPBAESA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/16:1(9Z))",FLBFFPPBNOZWBA-BGWVPBAESA-N
HMDB48854,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,56H,4-15,17-18,22,26,28-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-/t56-/m0/s1",HGEZITNCVXQZRM,LHSXNKONSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/18:1(11Z))",HGEZITNCVXQZRM-LHSXNKONSA-N
HMDB48855,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,31,56H,4-15,17-18,20,22-23,28-30,32-55H2,1-3H3/b19-16-,24-21-,27-25-,31-26-/t56-/m0/s1",XRFSSDSFGSCFPM,SPAHKKQHSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/18:1(9Z))",XRFSSDSFGSCFPM-SPAHKKQHSA-N
HMDB48856,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,58H,4-15,17-18,20,22-23,29-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t58-/m0/s1",GRFDFSAMUSSDRA,CMFUBODHSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/20:1(11Z))",GRFDFSAMUSSDRA-CMFUBODHSA-N
HMDB48857,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,33,36,42,45,58H,4-15,17-18,20,22-23,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,36-33-,45-42-/t58-/m0/s1",AUMKWUHSGOZGBY,LRJNZIKGSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",AUMKWUHSGOZGBY-LRJNZIKGSA-N
HMDB48858,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,60H,4-16,18-19,22-23,29-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-/t60-/m0/s1",FMHGBFIQGMDKBC,BFNALKGSSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/22:1(13Z))",FMHGBFIQGMDKBC-BFNALKGSSA-N
HMDB48859,994.89284152,C65H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,62H,4-16,18-19,22-23,29-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-/t62-/m0/s1",VVIQUUCKUCGHFX,AEEVUHDCSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/24:1(15Z))",VVIQUUCKUCGHFX-AEEVUHDCSA-N
HMDB48860,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,31,56H,4-15,18,22-23,28-30,32-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,31-26-/t56-/m0/s1",GPGYHCYBCMTGIL,MANMSMRESA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/18:2(9Z,12Z))",GPGYHCYBCMTGIL-MANMSMRESA-N
HMDB48861,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,31,37,40,56H,4-15,18,22-23,28-30,32-36,38-39,41-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,31-26-,40-37-/t56-/m0/s1",AMDYESWAWACFQO,YHEGKJESSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",AMDYESWAWACFQO-YHEGKJESSA-N
HMDB48862,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,58H,4-15,18,22-23,29-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-/t58-/m0/s1",QOMUVTWCBQCTFU,RQESCJMBSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/20:2n6)",QOMUVTWCBQCTFU-RQESCJMBSA-N
HMDB48863,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33,36,58H,4-15,18,22-23,29-32,34-35,37-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-/t58-/m0/s1",OCPBNPAFHNOUJL,CWYLFTGBSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/20:3n6)",OCPBNPAFHNOUJL-CWYLFTGBSA-N
HMDB48864,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33,36,42,45,58H,4-15,18,22-23,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,45-42-/t58-/m0/s1",BPMDVWKMKFKLJL,OBJOIOSLSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",BPMDVWKMKFKLJL-OBJOIOSLSA-N
HMDB48865,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,60H,4-15,18,22-23,29-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-/t60-/m0/s1",QETBIRGBJSNBME,MPCQGPNJSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/22:2(13Z,16Z))",QETBIRGBJSNBME-MPCQGPNJSA-N
HMDB48866,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31,33,38,41,60H,4-15,18,22-23,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,41-38-/t60-/m0/s1",AHCVPKUCFSYOCD,NMVBZKFFSA,N,"TG(16:1(9Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",AHCVPKUCFSYOCD-NMVBZKFFSA-N
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HMDB48884,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32,37,40,58H,4-15,18,22-23,29,31,33-36,38-39,41-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,40-37-/t58-/m0/s1",ANLSOFRCQFFQHE,OGORLLPJSA,N,"TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)",ANLSOFRCQFFQHE-OGORLLPJSA-N
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HMDB48886,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,40,42,45,58H,4-15,18,22-23,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-/t58-/m0/s1",DCQXCXYIOCPAFT,JHHNZSMLSA,N,"TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",DCQXCXYIOCPAFT-JHHNZSMLSA-N
HMDB48887,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,32,34,39,42,60H,4-15,18,22-23,29-31,33,35-38,40-41,43-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-/t60-/m0/s1",UUCYVAMUXSJPFI,UGEUAKCTSA,N,"TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",UUCYVAMUXSJPFI-UGEUAKCTSA-N
HMDB48888,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-39,41-42,60H,4-15,18,22-23,29-30,35-37,40,43-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-/t60-/m0/s1",BTOBAOSWLQZTFQ,GVPZLZGYSA,N,"TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",BTOBAOSWLQZTFQ-GVPZLZGYSA-N
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HMDB48890,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,38,56H,4-7,9-10,12-15,18,22-23,28,32-34,36-37,39-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1",XMBWJPPWZSZICI,JFEZYARDSA,N,"TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",XMBWJPPWZSZICI-JFEZYARDSA-N
HMDB48891,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,37-38,40,56H,4-7,9-10,12-15,18,22-23,28,32-34,36,39,41-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-/t56-/m0/s1",MORKMZKGDIIIBY,MNVCBLJSSA,N,"TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",MORKMZKGDIIIBY-MNVCBLJSSA-N
HMDB48892,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,40,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-/t58-/m0/s1",VSGQVZYDBUORBA,HMIYDZMFSA,N,"TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",VSGQVZYDBUORBA-HMIYDZMFSA-N
HMDB48893,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,40,42,45,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-/t58-/m0/s1",XQWSBHHVUZAKGC,KTZCMVDMSA,N,"TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XQWSBHHVUZAKGC-KTZCMVDMSA-N
HMDB48894,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-39,41-42,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,40,43-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-/t60-/m0/s1",DOETYUIYWRXHRJ,JYEHIATOSA,N,"TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DOETYUIYWRXHRJ-JYEHIATOSA-N
HMDB48895,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-39,41-42,47,50,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-/t60-/m0/s1",DQYVDSPZECGLKR,QTHMJOIUSA,N,"TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DQYVDSPZECGLKR-QTHMJOIUSA-N
HMDB48896,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,38,57H,4-15,17-18,20,22-23,26,28-29,32-34,36-37,39-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,38-35-/t57-/m1/s1",PRNZQRJFZAPDKQ,AOCMXFRYSA,N,"TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)",PRNZQRJFZAPDKQ-AOCMXFRYSA-N
HMDB48897,876.720690804,C57H96O6,CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-21,23-26,28-29,33,36,42,45,54H,4-15,17-18,22,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,29-28-,36-33-,45-42-",OFRREBQURFAGJN,XYDQHTNZSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",OFRREBQURFAGJN-XYDQHTNZSA-N
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HMDB48900,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,37,40,46,49,58H,4-15,17-18,20,22-23,29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,40-37-,49-46-/t58-/m0/s1",ONLUTZGWPUQHHJ,ZEWUBXGZSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",ONLUTZGWPUQHHJ-ZEWUBXGZSA-N
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HMDB48902,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,32,34,39,42,48,51,60H,4-16,18-19,22-23,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-32-,42-39-,51-48-/t60-/m0/s1",GAMAPPJKXZHGQR,OCQLGYFVSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",GAMAPPJKXZHGQR-OCQLGYFVSA-N
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HMDB48905,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-31,35,37-38,40,44,47,56H,4-15,18,22-23,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-/t56-/m0/s1",KFAZITXLGUDPHA,ZMHLKARHSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",KFAZITXLGUDPHA-ZMHLKARHSA-N
HMDB48906,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32,37,40,46,49,58H,4-15,18,22-23,29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,40-37-,49-46-/t58-/m0/s1",UQICQGKOMIXYGC,LIIMUBMYSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",UQICQGKOMIXYGC-LIIMUBMYSA-N
HMDB48907,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,40,46,49,58H,4-15,18,22-23,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-/t58-/m0/s1",KNOZJJFSIUFFAW,VZHKGLRDSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",KNOZJJFSIUFFAW-VZHKGLRDSA-N
HMDB48908,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-15,18,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-/t58-/m0/s1",XLQYGTGWDICQPH,MHJOQZHTSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",XLQYGTGWDICQPH-MHJOQZHTSA-N
HMDB48909,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,32,34,39,42,48,51,60H,4-15,18,22-23,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-,51-48-/t60-/m0/s1",VFICNLJKIFKMLD,KSLLCSTHSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",VFICNLJKIFKMLD-KSLLCSTHSA-N
HMDB48910,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-39,41-42,48,51,60H,4-15,18,22-23,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-/t60-/m0/s1",HWAKFXXPMACHCN,RXHBPMBHSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",HWAKFXXPMACHCN-RXHBPMBHSA-N
HMDB48911,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-39,41-42,47-48,50-51,60H,4-15,18,22-23,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-/t60-/m0/s1",DFWFUERTQLGULG,LHMCCVTQSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DFWFUERTQLGULG-LHMCCVTQSA-N
HMDB48912,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,38,44,47,56H,4-7,9-10,12-15,18,22-23,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,47-44-/t56-/m0/s1",ZAIUAHMIZJWRPI,IKHVCVBUSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",ZAIUAHMIZJWRPI-IKHVCVBUSA-N
HMDB48913,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,37-38,40,44,47,56H,4-7,9-10,12-15,18,22-23,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-/t56-/m0/s1",FGHAWRNLRAYRPW,BOVLXNJOSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",FGHAWRNLRAYRPW-BOVLXNJOSA-N
HMDB48914,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,40,46,49,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-/t58-/m0/s1",ZOEMITANCYSPKC,MYIRSGCTSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",ZOEMITANCYSPKC-MYIRSGCTSA-N
HMDB48915,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-/t58-/m0/s1",STBZEPVDQQTJQY,XEJHRLJHSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",STBZEPVDQQTJQY-XEJHRLJHSA-N
HMDB48916,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-39,41-42,48,51,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-/t60-/m0/s1",HCOXAOVJODNXKR,QQWYGIRHSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HCOXAOVJODNXKR-QQWYGIRHSA-N
HMDB48917,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-39,41-42,47-48,50-51,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-/t60-/m0/s1",BNQUTQXQVGFJGL,BQCCTAOKSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BNQUTQXQVGFJGL-BQCCTAOKSA-N
HMDB48918,892.788376449,C59H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,38,44,47,57H,4-15,17-18,20,22-23,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,38-35-,47-44-/t57-/m1/s1",LGYZQYKWWICUIV,QPWLNKDXSA,N,"TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",LGYZQYKWWICUIV-QPWLNKDXSA-N
HMDB48919,824.689390676,C53H92O6,CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,50H,4-6,8-9,11-15,17-18,22,27-49H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-",UOFCPHOAWRQMKU,BWRFOULESA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/16:1(9Z))",UOFCPHOAWRQMKU-BWRFOULESA-N
HMDB48920,852.720690811,C55H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26,28,52H,4-7,9-10,12-16,18,23,25,27,29-51H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,28-26-/t52-/m0/s1",KHIGDHJAAJSAMT,DEFSSQSYSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:1(11Z))",KHIGDHJAAJSAMT-DEFSSQSYSA-N
HMDB48921,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,52H,4-7,9-10,12-16,18-19,22-23,29-51H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-/t52-/m0/s1",SBMGSPMUZLTYRO,DKVKFSAXSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:1(9Z))",SBMGSPMUZLTYRO-DKVKFSAXSA-N
HMDB48922,880.75199094,C57H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,54H,4-7,9-10,12-16,18-19,22-23,28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-/t54-/m0/s1",ITVZPSFYQXIRPA,DYGHEFCSSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z))",ITVZPSFYQXIRPA-DYGHEFCSSA-N
HMDB48923,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,32,38,41,54H,4-7,9-10,12-16,18-19,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",TYZBSCRRILBVBC,GOIUCEDXSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",TYZBSCRRILBVBC-GOIUCEDXSA-N
HMDB48924,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-/t56-/m0/s1",HQTZSCFDYHRFGH,QBSXBMMISA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:1(13Z))",HQTZSCFDYHRFGH-QBSXBMMISA-N
HMDB48925,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-/t58-/m0/s1",ZTORKIRNWCDFGP,JLTDHJABSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/24:1(15Z))",ZTORKIRNWCDFGP-JLTDHJABSA-N
HMDB48926,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,52H,4-7,9-10,12-15,18,22-23,29-51H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-/t52-/m0/s1",AMOIJSYVSINHAG,VQCNVEDOSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",AMOIJSYVSINHAG-VQCNVEDOSA-N
HMDB48927,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,33,36,52H,4-7,9-10,12-15,18,22-23,29-32,34-35,37-51H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-/t52-/m0/s1",MELAWPQSFDECQK,UZMMADLWSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",MELAWPQSFDECQK-UZMMADLWSA-N
HMDB48928,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29,54H,4-7,9-10,12-15,18,22-23,28,30-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-/t54-/m0/s1",IQYIGUDLVCVSII,KZIJMVTKSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:2n6)",IQYIGUDLVCVSII-KZIJMVTKSA-N
HMDB48929,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,32,54H,4-7,9-10,12-15,18,22-23,28,31,33-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-/t54-/m0/s1",NWMWRTWPKPERPX,ZZIGWVDLSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:3n6)",NWMWRTWPKPERPX-ZZIGWVDLSA-N
HMDB48930,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,32,38,41,54H,4-7,9-10,12-15,18,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",SAONIHNXNLAFIH,XEMLTWDGSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",SAONIHNXNLAFIH-XEMLTWDGSA-N
HMDB48931,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,31,56H,4-7,9-10,12-15,18,22-23,28-30,32-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,31-26-/t56-/m0/s1",DBKDFHIWHBEEEN,ZZTJXZHNSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",DBKDFHIWHBEEEN-ZZTJXZHNSA-N
HMDB48932,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,34,37,56H,4-7,9-10,12-15,18,22-23,28,32-33,35-36,38-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-/t56-/m0/s1",GQHIOWFJKMMOPQ,OEDADZTESA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",GQHIOWFJKMMOPQ-OEDADZTESA-N
HMDB48933,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,34,37,43,46,56H,4-7,9-10,12-15,18,22-23,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,46-43-/t56-/m0/s1",PTGPWEGIOWAQLD,CADKDOPRSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PTGPWEGIOWAQLD-CADKDOPRSA-N
HMDB48934,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,52H,4-6,9,12-15,18,22-23,29-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-/t52-/m0/s1",LROSQJOAECQISB,DSFJEABTSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",LROSQJOAECQISB-DSFJEABTSA-N
HMDB48935,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,33,36,52H,4-6,9,12-15,18,22-23,29-32,34-35,37-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-/t52-/m0/s1",XHRYSMLIPCWYRT,DDTOFWAXSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",XHRYSMLIPCWYRT-DDTOFWAXSA-N
HMDB48936,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,32,54H,4-6,9,12-15,18,22-23,28,31,33-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-/t54-/m0/s1",GUAKRBSAGMGGNK,YUDACQLXSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",GUAKRBSAGMGGNK-YUDACQLXSA-N
HMDB48937,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,32,38,41,54H,4-6,9,12-15,18,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1",UWYCQPJOUKEJFZ,LLYPIZHYSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",UWYCQPJOUKEJFZ-LLYPIZHYSA-N
HMDB48938,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,34,37,56H,4-6,9,12-15,18,22-23,28,32-33,35-36,38-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-/t56-/m0/s1",HYGBWSXRFZKWPT,NZLVLWAVSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HYGBWSXRFZKWPT-NZLVLWAVSA-N
HMDB48939,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,34,37,43,46,56H,4-6,9,12-15,18,22-23,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,46-43-/t56-/m0/s1",GDOQWDSETAOUPI,RGFPMPAPSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GDOQWDSETAOUPI-RGFPMPAPSA-N
HMDB48940,840.75707632,C55H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,53H,4-7,9-10,12-16,18-19,22-23,25,27,29-52H2,1-3H3/b11-8-,20-17-,24-21-,28-26-/t53-/m1/s1",STLGXRPPAZDTPR,ULGKXKKNSA,N,"TG(16:1(9Z)/18:3(9Z,12Z,15Z)/o-18:0)",STLGXRPPAZDTPR-ULGKXKKNSA-N
HMDB48941,822.673740612,C53H90O6,CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,32,35,50H,4-6,8-9,11-15,17-18,22,27-31,33-34,36-49H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,35-32-",IKGACAZPDGQQFG,VUXDZFCUSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))",IKGACAZPDGQQFG-VUXDZFCUSA-N
HMDB48942,850.705040747,C55H94O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26,28,34,37,52H,4-7,9-10,12-16,18,23,25,27,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,28-26-,37-34-/t52-/m0/s1",GVFBTZLWZHOFTN,KLCTYNNTSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))",GVFBTZLWZHOFTN-KLCTYNNTSA-N
HMDB48943,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,34,37,52H,4-7,9-10,12-16,18-19,22-23,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,37-34-/t52-/m0/s1",IEICFSCSZCFGGM,IKGXILDRSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))",IEICFSCSZCFGGM-IKGXILDRSA-N
HMDB48944,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,36,39,54H,4-7,9-10,12-16,18-19,22-23,28,30-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,39-36-/t54-/m0/s1",UFZAMUNCCQBRIA,JVKCEIKTSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))",UFZAMUNCCQBRIA-JVKCEIKTSA-N
HMDB48945,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,32,36,38-39,41,54H,4-7,9-10,12-16,18-19,22-23,28,31,33-35,37,40,42-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-,41-38-/t54-/m0/s1",DWVOTLFAUNBVMU,AOEUCXIWSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",DWVOTLFAUNBVMU-AOEUCXIWSA-N
HMDB48946,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,38,41,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-,41-38-/t56-/m0/s1",ZMSDTBFFMIRIAV,FDYIIKSSSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",ZMSDTBFFMIRIAV-FDYIIKSSSA-N
HMDB48947,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,40,43,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-,43-40-/t58-/m0/s1",WISOHMOFUZNMLE,SCXXAKISSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",WISOHMOFUZNMLE-SCXXAKISSA-N
HMDB48948,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,34,37,52H,4-7,9-10,12-15,18,22-23,29-33,35-36,38-51H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,37-34-/t52-/m0/s1",ODLMZGCXXHOCHS,DVOZDGCUSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",ODLMZGCXXHOCHS-DVOZDGCUSA-N
HMDB48949,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,33-34,36-37,52H,4-7,9-10,12-15,18,22-23,29-32,35,38-51H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,37-34-/t52-/m0/s1",HHYIRDXXSJLGQO,VPNNIDOYSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",HHYIRDXXSJLGQO-VPNNIDOYSA-N
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HMDB48952,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,32,36,38-39,41,54H,4-7,9-10,12-15,18,22-23,28,31,33-35,37,40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-,41-38-/t54-/m0/s1",QUJFSQWXAAMMDR,QPEFYPNMSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",QUJFSQWXAAMMDR-QPEFYPNMSA-N
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HMDB48956,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,34,37,52H,4-6,9,12-15,18,22-23,29-33,35-36,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,37-34-/t52-/m0/s1",ZRALEAANSAKXPV,OPVNKNAKSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",ZRALEAANSAKXPV-OPVNKNAKSA-N
HMDB48957,844.658090554,C55H88O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,33-34,36-37,52H,4-6,9,12-15,18,22-23,29-32,35,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,37-34-/t52-/m0/s1",XVAIUFYOCQGQHS,FPMQGTJBSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",XVAIUFYOCQGQHS-FPMQGTJBSA-N
HMDB48958,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,32,36,39,54H,4-6,9,12-15,18,22-23,28,31,33-35,37-38,40-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-/t54-/m0/s1",WKGHCWDPTMXRSP,GKNZSMICSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",WKGHCWDPTMXRSP-GKNZSMICSA-N
HMDB48959,870.673740618,C57H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,32,36,38-39,41,54H,4-6,9,12-15,18,22-23,28,31,33-35,37,40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-,41-38-/t54-/m0/s1",HZWZIBKPKXMNRQ,RKSXQUQESA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HZWZIBKPKXMNRQ-RKSXQUQESA-N
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HMDB48961,896.689390682,C59H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,34,37-38,41,43,46,56H,4-6,9,12-15,18,22-23,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-/t56-/m0/s1",BHFCAALOWUOMKN,RSDNNAPCSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BHFCAALOWUOMKN-RSDNNAPCSA-N
HMDB48962,838.741426256,C55H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,34,37,53H,4-7,9-10,12-16,18-19,22-23,25,27,29-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,37-34-/t53-/m1/s1",BUIOKWYGCCSIHR,IGSOARKHSA,N,"TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)",BUIOKWYGCCSIHR-IGSOARKHSA-N
HMDB48963,850.70504074,C55H94O6,CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,28,31,52H,4-6,8-9,11-15,17-18,22,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,31-28-",MKURRAKNDKZGBH,BSRPNIKLSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))",MKURRAKNDKZGBH-BSRPNIKLSA-N
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HMDB48965,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,33,54H,4-6,8-9,11-15,17-18,20,22-23,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,33-30-/t54-/m0/s1",SIMWKKWMDCOEGV,CZDIHXNQSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",SIMWKKWMDCOEGV-CZDIHXNQSA-N
HMDB48966,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,32,35,56H,4-7,9-10,12-16,18-19,22-23,29-31,33-34,36-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-32-/t56-/m0/s1",WYBBEHGARFNTQZ,KKAQMGQFSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",WYBBEHGARFNTQZ-KKAQMGQFSA-N
HMDB48967,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,31-32,34-35,40,43,56H,4-7,9-10,12-16,18-19,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m0/s1",LZGSNIVBOTVACT,PYDUFIMOSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",LZGSNIVBOTVACT-PYDUFIMOSA-N
HMDB48968,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,34,37,58H,4-7,9-10,12-16,18-19,22-23,29-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,37-34-/t58-/m0/s1",UZZAXRYBSKFPIP,PQIHHXKRSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))",UZZAXRYBSKFPIP-PQIHHXKRSA-N
HMDB48969,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,36,39,60H,4-7,9-10,12-16,18-19,22-23,29-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,39-36-/t60-/m0/s1",MXQGPSRZEDBAOD,NLHFJXCOSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))",MXQGPSRZEDBAOD-NLHFJXCOSA-N
HMDB48970,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,33,54H,4-6,8-9,11-15,18,22-23,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-/t54-/m0/s1",WVTAVIWJWQYRDD,MLSGFAKPSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",WVTAVIWJWQYRDD-MLSGFAKPSA-N
HMDB48971,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,33,35,38,54H,4-6,8-9,11-15,18,22-23,28,31-32,34,36-37,39-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-/t54-/m0/s1",QNQSOSQICGDOAB,YIXNWBLSSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",QNQSOSQICGDOAB-YIXNWBLSSA-N
HMDB48972,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,32,35,56H,4-7,9-10,12-15,18,22-23,29-31,33-34,36-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,35-32-/t56-/m0/s1",MJXLQXMHOMTBOT,QFVAMJHQSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)",MJXLQXMHOMTBOT-QFVAMJHQSA-N
HMDB48973,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-32,34-35,56H,4-7,9-10,12-15,18,22-23,29-30,33,36-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-/t56-/m0/s1",SLWKIBRMKIGQLN,VDTQVMMDSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)",SLWKIBRMKIGQLN-VDTQVMMDSA-N
HMDB48974,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-32,34-35,40,43,56H,4-7,9-10,12-15,18,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m0/s1",SHWWTBXHUVHNGT,ZQMQYPPLSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",SHWWTBXHUVHNGT-ZQMQYPPLSA-N
HMDB48975,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,34,37,58H,4-7,9-10,12-15,18,22-23,29-33,35-36,38-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,37-34-/t58-/m0/s1",RLJGTYGIJXBOBM,HSEOVDJHSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",RLJGTYGIJXBOBM-HSEOVDJHSA-N
HMDB48976,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32,34,36-37,39,58H,4-7,9-10,12-15,18,22-23,29,31,33,35,38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-/t58-/m0/s1",MCGIJZNDQWQMGQ,FXACEBQVSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",MCGIJZNDQWQMGQ-FXACEBQVSA-N
HMDB48977,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32,34,36-37,39,45,48,58H,4-7,9-10,12-15,18,22-23,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-/t58-/m0/s1",GRAWWRIFCHHETO,UOIJIZQNSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GRAWWRIFCHHETO-UOIJIZQNSA-N
HMDB48978,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,54H,4-6,9,12-15,18,22-23,28,31-32,34-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-/t54-/m0/s1",LXEQMGRAIZAHIA,KBCYVHPUSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",LXEQMGRAIZAHIA-KBCYVHPUSA-N
HMDB48979,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,35,38,54H,4-6,9,12-15,18,22-23,28,31-32,34,36-37,39-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-/t54-/m0/s1",OWQFKNYXTDJMRT,XZCSRPNHSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",OWQFKNYXTDJMRT-XZCSRPNHSA-N
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HMDB48981,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-32,34-35,40,43,56H,4-6,9,12-15,18,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m0/s1",BWSGVXGTFNCUBB,NFJNPOEASA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BWSGVXGTFNCUBB-NFJNPOEASA-N
HMDB48982,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32,34,36-37,39,58H,4-6,9,12-15,18,22-23,29,31,33,35,38,40-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-/t58-/m0/s1",OSVGYGWZHSYVFA,FYJUSXFVSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OSVGYGWZHSYVFA-FYJUSXFVSA-N
HMDB48983,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32,34,36-37,39,45,48,58H,4-6,9,12-15,18,22-23,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-/t58-/m0/s1",ZGCGJLBXPCKHOS,GALCDWOWSA,N,"TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZGCGJLBXPCKHOS-GALCDWOWSA-N
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HMDB48985,848.689390676,C55H92O6,CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,28,31,37,40,52H,4-6,8-9,11-15,17-18,22,27,29-30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,31-28-,40-37-",HMGXNEWHDKSFMM,SKDKVVOLSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))",HMGXNEWHDKSFMM-SKDKVVOLSA-N
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HMDB48987,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,33,39,42,54H,4-6,8-9,11-15,17-18,20,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",GWRAVNHWWGWIII,RQZPTKLTSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",GWRAVNHWWGWIII-RQZPTKLTSA-N
HMDB48988,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,32,35,41,44,56H,4-7,9-10,12-16,18-19,22-23,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",JCNXTQFURJIRKW,MFKHMKTKSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",JCNXTQFURJIRKW-MFKHMKTKSA-N
HMDB48989,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,31-32,34-35,40-41,43-44,56H,4-7,9-10,12-16,18-19,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",JNHLCTFBNVEPGE,IKQMSQSISA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",JNHLCTFBNVEPGE-IKQMSQSISA-N
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HMDB48992,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,33,39,42,54H,4-6,8-9,11-15,18,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",LJHONHGRZOZQCL,ZPROJLHLSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",LJHONHGRZOZQCL-ZPROJLHLSA-N
HMDB48993,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,33,35,38-39,42,54H,4-6,8-9,11-15,18,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",OFWWCDNDJRBWHV,JAGOXYCXSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",OFWWCDNDJRBWHV-JAGOXYCXSA-N
HMDB48994,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,32,35,41,44,56H,4-7,9-10,12-15,18,22-23,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,35-32-,44-41-/t56-/m0/s1",HMIQWDBXVXWFQY,HKAOEAFNSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",HMIQWDBXVXWFQY-HKAOEAFNSA-N
HMDB48995,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-32,34-35,41,44,56H,4-7,9-10,12-15,18,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",KTXCVHLICBKPGH,NZSINWCFSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",KTXCVHLICBKPGH-NZSINWCFSA-N
HMDB48996,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-32,34-35,40-41,43-44,56H,4-7,9-10,12-15,18,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",MEWJOTPCRGRYBJ,VEDBGRODSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",MEWJOTPCRGRYBJ-VEDBGRODSA-N
HMDB48997,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,34,37,43,46,58H,4-7,9-10,12-15,18,22-23,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,37-34-,46-43-/t58-/m0/s1",BSHSLXIUYPLLLC,NDLPAWOHSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",BSHSLXIUYPLLLC-NDLPAWOHSA-N
HMDB48998,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32,34,36-37,39,43,46,58H,4-7,9-10,12-15,18,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",SCXRHCCDSIMTTD,KKYUNIAMSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",SCXRHCCDSIMTTD-KKYUNIAMSA-N
HMDB48999,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-7,9-10,12-15,18,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",YKWQPKBPMIZKRY,FNWLPWPMSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YKWQPKBPMIZKRY-FNWLPWPMSA-N
HMDB49000,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,39,42,54H,4-6,9,12-15,18,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1",VLHQNMJOBCRYHJ,IVNWBXNMSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",VLHQNMJOBCRYHJ-IVNWBXNMSA-N
HMDB49001,870.673740618,C57H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,35,38-39,42,54H,4-6,9,12-15,18,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-/t54-/m0/s1",KNFDUMCIQGMWIL,LHUPIEBESA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",KNFDUMCIQGMWIL-LHUPIEBESA-N
HMDB49002,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-32,34-35,41,44,56H,4-6,9,12-15,18,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1",SHSDPRIIARPFJB,IELJQPDPSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",SHSDPRIIARPFJB-IELJQPDPSA-N
HMDB49003,896.689390682,C59H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-32,34-35,40-41,43-44,56H,4-6,9,12-15,18,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1",ALJQKGDUIBJSOW,SBSHAZFDSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ALJQKGDUIBJSOW-SBSHAZFDSA-N
HMDB49004,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32,34,36-37,39,43,46,58H,4-6,9,12-15,18,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-/t58-/m0/s1",ABRDLWYBZGTCTL,XBPNRUQUSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ABRDLWYBZGTCTL-XBPNRUQUSA-N
HMDB49005,922.705040747,C61H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,9,12-15,18,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-/t58-/m0/s1",HNCPGOHTEDAEBH,PDGKQEHTSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HNCPGOHTEDAEBH-PDGKQEHTSA-N
HMDB49006,864.75707632,C57H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,39,42,55H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-,42-39-/t55-/m1/s1",BRXDIEDDNXJICD,CPEBRMHSSA,N,"TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)",BRXDIEDDNXJICD-CPEBRMHSSA-N
HMDB49007,876.720690804,C57H96O6,CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,28-29,33,36,54H,4-6,8-9,11-15,17-18,22,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,29-28-,36-33-",LZZNTFLHJPPRGS,LOAAVCGSSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",LZZNTFLHJPPRGS-LOAAVCGSSA-N
HMDB49008,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,35,38,56H,4-6,8-9,11-15,17-18,22,26,28,31-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,38-35-/t56-/m0/s1",QQFKNDCLYUQZTH,VQBRGMMMSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",QQFKNDCLYUQZTH-VQBRGMMMSA-N
HMDB49009,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-31,35,38,56H,4-6,8-9,11-15,17-18,20,22-23,28,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1",RXYFRYYHSFDYTO,IFPRDMOXSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",RXYFRYYHSFDYTO-IFPRDMOXSA-N
HMDB49010,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,37,40,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,40-37-/t58-/m0/s1",LLUGKARRKLPPGX,IFMZAGNASA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",LLUGKARRKLPPGX-IFMZAGNASA-N
HMDB49011,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32-33,36-37,40,42,45,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-/t58-/m0/s1",OLMVBODUWXCZIR,IZVHSWSPSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",OLMVBODUWXCZIR-IZVHSWSPSA-N
HMDB49012,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,32,34,39,42,60H,4-7,9-10,12-16,18-19,22-23,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-/t60-/m0/s1",RJLWDCUMLMQTPK,ZCMUVWAJSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",RJLWDCUMLMQTPK-ZCMUVWAJSA-N
HMDB49013,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,41,44,62H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-,44-41-/t62-/m0/s1",KUIPSBYDKQTLHU,LNHZEGFHSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",KUIPSBYDKQTLHU-LNHZEGFHSA-N
HMDB49014,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,35,38,56H,4-6,8-9,11-15,18,22-23,28,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1",ZXCSVTVCNZGNRR,VJXWSIHTSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",ZXCSVTVCNZGNRR-VJXWSIHTSA-N
HMDB49015,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,35,37-38,40,56H,4-6,8-9,11-15,18,22-23,28,32-34,36,39,41-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-/t56-/m0/s1",JFKSTJCBEDXQKN,PPOXFNLUSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",JFKSTJCBEDXQKN-PPOXFNLUSA-N
HMDB49016,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32,37,40,58H,4-6,8-9,11-15,18,22-23,29,31,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,40-37-/t58-/m0/s1",VTMVPHKWSAUTAJ,AKYWCOMMSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",VTMVPHKWSAUTAJ-AKYWCOMMSA-N
HMDB49017,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,40,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38-39,41-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-/t58-/m0/s1",CDWRFPVGPCWHLK,KCFUAOQKSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",CDWRFPVGPCWHLK-KCFUAOQKSA-N
HMDB49018,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,40,42,45,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-/t58-/m0/s1",DTNGZWBOLORNBR,PLDWIEGKSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",DTNGZWBOLORNBR-PLDWIEGKSA-N
HMDB49019,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,32,34,39,42,60H,4-7,9-10,12-15,18,22-23,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-/t60-/m0/s1",MVZLNTWQSMVSCH,FZRWNLIVSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",MVZLNTWQSMVSCH-FZRWNLIVSA-N
HMDB49020,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-34,38-39,41-42,60H,4-7,9-10,12-15,18,22-23,29-30,35-37,40,43-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-/t60-/m0/s1",RZPLQHKENQFELH,XHYUVWMJSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",RZPLQHKENQFELH-XHYUVWMJSA-N
HMDB49021,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-34,38-39,41-42,47,50,60H,4-7,9-10,12-15,18,22-23,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-/t60-/m0/s1",VFQVWRHDXMNZND,NQLZIQBXSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VFQVWRHDXMNZND-NQLZIQBXSA-N
HMDB49022,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35,38,56H,4-6,9,12-15,18,22-23,28,32-34,36-37,39-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1",PVBOVZWBGFRMPX,YNYUJYHNSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",PVBOVZWBGFRMPX-YNYUJYHNSA-N
HMDB49023,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35,37-38,40,56H,4-6,9,12-15,18,22-23,28,32-34,36,39,41-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-/t56-/m0/s1",ZDSFZIRJCWCTRG,MMCZXQQYSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",ZDSFZIRJCWCTRG-MMCZXQQYSA-N
HMDB49024,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,40,58H,4-6,9,12-15,18,22-23,29,31,34-35,38-39,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-/t58-/m0/s1",CCNCUAMYXFRUIN,SUIBBTDZSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",CCNCUAMYXFRUIN-SUIBBTDZSA-N
HMDB49025,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,40,42,45,58H,4-6,9,12-15,18,22-23,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-/t58-/m0/s1",ZGPVKACJWPEIIR,OILKAXGNSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZGPVKACJWPEIIR-OILKAXGNSA-N
HMDB49026,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-39,41-42,60H,4-6,9,12-15,18,22-23,29-30,35-37,40,43-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-/t60-/m0/s1",FBNGTCSJDMTOOZ,XKFIDWOSSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FBNGTCSJDMTOOZ-XKFIDWOSSA-N
HMDB49027,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-39,41-42,47,50,60H,4-6,9,12-15,18,22-23,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-/t60-/m0/s1",VCAQAFAWLPTBJY,QEVZJVOXSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VCAQAFAWLPTBJY-QEVZJVOXSA-N
HMDB49028,892.788376449,C59H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30-31,35,38,57H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,32-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,31-30-,38-35-/t57-/m1/s1",LCXKYWRETOPEIW,ADYBNBBHSA,N,"TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",LCXKYWRETOPEIW-ADYBNBBHSA-N
HMDB49029,874.70504074,C57H94O6,CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,22,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,29-28-,36-33-,45-42-",WEYYTNSWGCRYMS,JCUAJOBASA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",WEYYTNSWGCRYMS-JCUAJOBASA-N
HMDB49030,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,35,38,44,47,56H,4-6,8-9,11-15,17-18,22,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,38-35-,47-44-/t56-/m0/s1",GFRJPVQDUGXBNW,BCRISLJXSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",GFRJPVQDUGXBNW-BCRISLJXSA-N
HMDB49031,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-31,35,38,44,47,56H,4-6,8-9,11-15,17-18,20,22-23,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,31-26-,38-35-,47-44-/t56-/m0/s1",INFCNCPHUCNHIK,RLBGNLGOSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",INFCNCPHUCNHIK-RLBGNLGOSA-N
HMDB49032,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,37,40,46,49,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,40-37-,49-46-/t58-/m0/s1",RAYJPGOAZDQHLU,DPYMAIALSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",RAYJPGOAZDQHLU-DPYMAIALSA-N
HMDB49033,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-/t58-/m0/s1",JTMADBVZJBNIHF,CJVOECJLSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",JTMADBVZJBNIHF-CJVOECJLSA-N
HMDB49034,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,32,34,39,42,48,51,60H,4-7,9-10,12-16,18-19,22-23,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-,51-48-/t60-/m0/s1",AEDDMHLQFFOWDJ,WPRTYRIVSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",AEDDMHLQFFOWDJ-WPRTYRIVSA-N
HMDB49035,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,41,44,50,53,62H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-,44-41-,53-50-/t62-/m0/s1",DLZZOGXNLRVGPK,WKRSBZJTSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",DLZZOGXNLRVGPK-WKRSBZJTSA-N
HMDB49036,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,35,38,44,47,56H,4-6,8-9,11-15,18,22-23,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,47-44-/t56-/m0/s1",RXPNRICKBTZRQQ,MZPJDRBRSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",RXPNRICKBTZRQQ-MZPJDRBRSA-N
HMDB49037,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,35,37-38,40,44,47,56H,4-6,8-9,11-15,18,22-23,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-/t56-/m0/s1",MKGDRUMNJFKWEX,FQIGFVGDSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",MKGDRUMNJFKWEX-FQIGFVGDSA-N
HMDB49038,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32,37,40,46,49,58H,4-6,8-9,11-15,18,22-23,29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,40-37-,49-46-/t58-/m0/s1",WOIBQENLMDAYHG,UETCMENWSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",WOIBQENLMDAYHG-UETCMENWSA-N
HMDB49039,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,40,46,49,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-/t58-/m0/s1",RYAFXSOWSVLHMZ,ZPYOYNDKSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",RYAFXSOWSVLHMZ-ZPYOYNDKSA-N
HMDB49040,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-/t58-/m0/s1",CVASUUQYQOXYSJ,FULWPQASSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",CVASUUQYQOXYSJ-FULWPQASSA-N
HMDB49041,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,32,34,39,42,48,51,60H,4-7,9-10,12-15,18,22-23,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-,51-48-/t60-/m0/s1",FXJCGDYWDDAGPZ,VYERSXOXSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",FXJCGDYWDDAGPZ-VYERSXOXSA-N
HMDB49042,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-34,38-39,41-42,48,51,60H,4-7,9-10,12-15,18,22-23,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-/t60-/m0/s1",OFTAFMFOCJTPKP,TVWKUVFGSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",OFTAFMFOCJTPKP-TVWKUVFGSA-N
HMDB49043,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-34,38-39,41-42,47-48,50-51,60H,4-7,9-10,12-15,18,22-23,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-/t60-/m0/s1",VWZGSBQUFRGVJP,YCPQVTABSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VWZGSBQUFRGVJP-YCPQVTABSA-N
HMDB49044,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35,38,44,47,56H,4-6,9,12-15,18,22-23,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,47-44-/t56-/m0/s1",CAZNNMVLGLBJIG,XSGJJJNNSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",CAZNNMVLGLBJIG-XSGJJJNNSA-N
HMDB49045,896.689390682,C59H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35,37-38,40,44,47,56H,4-6,9,12-15,18,22-23,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-/t56-/m0/s1",NGTQAEKMFCQQIO,AEQYTUGUSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",NGTQAEKMFCQQIO-AEQYTUGUSA-N
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HMDB49048,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-39,41-42,48,51,60H,4-6,9,12-15,18,22-23,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-/t60-/m0/s1",ALWDNQVQKSLBDL,ZVRNFYTRSA,N,"TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ALWDNQVQKSLBDL-ZVRNFYTRSA-N
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HMDB49051,816.75707631,C53H100O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h20-21,23-24,51H,4-19,22,25-50H2,1-3H3/b23-20-,24-21-",NYPLNQPIUUXUOI,XFUYORNGSA,N,TG(16:1(9Z)/o-18:0/16:1(9Z)),NYPLNQPIUUXUOI-XFUYORNGSA-N
HMDB49052,844.788376449,C55H104O5,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,53H,4-19,22,25-52H2,1-3H3/b23-20-,24-21-/t53-/m0/s1",ATTGDFSUVOYBQK,LHRHYBCQSA,N,TG(16:1(9Z)/o-18:0/18:1(11Z)),ATTGDFSUVOYBQK-LHRHYBCQSA-N
HMDB49053,844.788376449,C55H104O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,53H,4-20,22-23,25,27,29-52H2,1-3H3/b24-21-,28-26-/t53-/m0/s1",FVIQKRGSIAWPGJ,PMMJFFCWSA,N,TG(16:1(9Z)/o-18:0/18:1(9Z)),FVIQKRGSIAWPGJ-PMMJFFCWSA-N
HMDB49054,872.819676578,C57H108O5,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,55H,4-20,22-23,26,28-54H2,1-3H3/b24-21-,27-25-/t55-/m0/s1",HYASJCCIYCCFNC,LSGCVWHMSA,N,TG(16:1(9Z)/o-18:0/20:1(11Z)),HYASJCCIYCCFNC-LSGCVWHMSA-N
HMDB49055,868.788376449,C57H104O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,39,42,55H,4-20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b24-21-,27-25-,33-30-,42-39-/t55-/m0/s1",LNKHZBGNOPRSQH,HNFYWPACSA,N,"TG(16:1(9Z)/o-18:0/20:3(5Z,8Z,11Z))",LNKHZBGNOPRSQH-HNFYWPACSA-N
HMDB49056,900.850976706,C59H112O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,57H,4-20,22-23,26,28-56H2,1-3H3/b24-21-,27-25-/t57-/m0/s1",OEZUXFLSEGCWIE,UJLKRNAFSA,N,TG(16:1(9Z)/o-18:0/22:1(13Z)),OEZUXFLSEGCWIE-UJLKRNAFSA-N
HMDB49057,928.882276835,C61H116O5,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-58-59(57-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,59H,4-20,22-23,26,28-58H2,1-3H3/b24-21-,27-25-/t59-/m0/s1",FPWUJNGGVATCPT,DMHUCQSQSA,N,TG(16:1(9Z)/o-18:0/24:1(15Z)),FPWUJNGGVATCPT-DMHUCQSQSA-N
HMDB49058,842.772726384,C55H102O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,53H,4-16,18-19,22-23,25,27,29-52H2,1-3H3/b20-17-,24-21-,28-26-/t53-/m0/s1",PSHWARYKXDUDSM,UWFRZUFNSA,N,"TG(16:1(9Z)/o-18:0/18:2(9Z,12Z))",PSHWARYKXDUDSM-UWFRZUFNSA-N
HMDB49059,840.75707632,C55H100O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,53H,4-16,18-19,22-23,25,27,29-33,35-36,38-52H2,1-3H3/b20-17-,24-21-,28-26-,37-34-/t53-/m0/s1",UIRVDSFGYSTIHH,FHICZUMVSA,N,"TG(16:1(9Z)/o-18:0/18:3(6Z,9Z,12Z))",UIRVDSFGYSTIHH-FHICZUMVSA-N
HMDB49060,870.804026513,C57H106O5,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,55H,4-15,17-18,20,22-23,26,28-54H2,1-3H3/b19-16-,24-21-,27-25-/t55-/m0/s1",WXYYNUWVWHESOG,SETUNUADSA,N,TG(16:1(9Z)/o-18:0/20:2n6),WXYYNUWVWHESOG-SETUNUADSA-N
HMDB49061,868.788376449,C57H104O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-/t55-/m0/s1",FPTNHTUUMDTEJR,YESDNOKMSA,N,TG(16:1(9Z)/o-18:0/20:3n6),FPTNHTUUMDTEJR-YESDNOKMSA-N
HMDB49062,866.772726384,C57H102O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,39,42,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-,42-39-/t55-/m0/s1",NMFGLZJGDVTWFX,XHSZMQQESA,N,"TG(16:1(9Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))",NMFGLZJGDVTWFX-XHSZMQQESA-N
HMDB49063,898.835326642,C59H110O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,57H,4-15,17-18,20,22-23,26,28-56H2,1-3H3/b19-16-,24-21-,27-25-/t57-/m0/s1",ONMSTRALNQRIBJ,JICDQWDTSA,N,"TG(16:1(9Z)/o-18:0/22:2(13Z,16Z))",ONMSTRALNQRIBJ-JICDQWDTSA-N
HMDB49064,894.804026513,C59H106O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,38,57H,4-15,17-18,20,22-23,26,28-29,32-34,36-37,39-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,38-35-/t57-/m0/s1",GHSNPVRGTJGZTR,TYTOGENMSA,N,"TG(16:1(9Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))",GHSNPVRGTJGZTR-TYTOGENMSA-N
HMDB49065,892.788376449,C59H104O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,38,44,47,57H,4-15,17-18,20,22-23,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,38-35-,47-44-/t57-/m0/s1",ZCHHHFAJKXRDSR,CCLYFNPKSA,N,"TG(16:1(9Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZCHHHFAJKXRDSR-CCLYFNPKSA-N
HMDB49066,840.75707632,C55H100O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,53H,4-7,9-10,12-16,18-19,22-23,25,27,29-52H2,1-3H3/b11-8-,20-17-,24-21-,28-26-/t53-/m0/s1",NMRMCNKSXDDBCA,CEZMLZNASA,N,"TG(16:1(9Z)/o-18:0/18:3(9Z,12Z,15Z))",NMRMCNKSXDDBCA-CEZMLZNASA-N
HMDB49067,838.741426256,C55H98O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,34,37,53H,4-7,9-10,12-16,18-19,22-23,25,27,29-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,37-34-/t53-/m0/s1",SSKQGMAHQBYKGA,HWFCSVFLSA,N,"TG(16:1(9Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",SSKQGMAHQBYKGA-HWFCSVFLSA-N
HMDB49068,866.772726384,C57H102O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,55H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-54H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-/t55-/m0/s1",LNXIGBSVBNTNGO,RNSYOBJXSA,N,"TG(16:1(9Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",LNXIGBSVBNTNGO-RNSYOBJXSA-N
HMDB49069,864.75707632,C57H100O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,39,42,55H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-,42-39-/t55-/m0/s1",SYHGAUMUEXHCIZ,ACMREMPMSA,N,"TG(16:1(9Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",SYHGAUMUEXHCIZ-ACMREMPMSA-N
HMDB49070,892.788376449,C59H104O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30-31,35,38,57H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,32-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,31-30-,38-35-/t57-/m0/s1",VKTQXFUOYYNGTG,IMSMZOJKSA,N,"TG(16:1(9Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",VKTQXFUOYYNGTG-IMSMZOJKSA-N
HMDB49071,890.772726384,C59H102O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30-31,35,38,44,47,57H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,31-30-,38-35-,47-44-/t57-/m0/s1",KKMRSKQHWIOZKQ,ZLUXARIRSA,N,"TG(16:1(9Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KKMRSKQHWIOZKQ-ZLUXARIRSA-N
HMDB49074,858.767641004,C55H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,52H,4-19,21-22,25,27-51H2,1-3H3/b23-20-,26-24-/t52-/m0/s1",QGKSCOSAAROVGN,NIHCBMJSSA,N,TG(18:1(11Z)/14:0/20:1(11Z)),QGKSCOSAAROVGN-NIHCBMJSSA-N
HMDB49075,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,29,31,36,39,52H,4-19,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b23-20-,26-24-,31-29-,39-36-/t52-/m0/s1",GDZYEJMGCSLLNA,GBSLTKQOSA,N,"TG(18:1(11Z)/14:0/20:3(5Z,8Z,11Z))",GDZYEJMGCSLLNA-GBSLTKQOSA-N
HMDB49076,886.798941133,C57H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h20,23-24,26,54H,4-19,21-22,25,27-53H2,1-3H3/b23-20-,26-24-/t54-/m0/s1",KYXDDYICUDEOAM,LPWTYNHDSA,N,TG(18:1(11Z)/14:0/22:1(13Z)),KYXDDYICUDEOAM-LPWTYNHDSA-N
HMDB49077,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h20,23-24,26,56H,4-19,21-22,25,27-55H2,1-3H3/b23-20-,26-24-/t56-/m0/s1",FCEBICVTRXFYLZ,FRHRWYISSA,N,TG(18:1(11Z)/14:0/24:1(15Z)),FCEBICVTRXFYLZ-FRHRWYISSA-N
HMDB49079,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,31,33,50H,4-15,17-18,21-22,25,27-30,32,34-49H2,1-3H3/b19-16-,23-20-,26-24-,33-31-/t50-/m1/s1",LLTSKULJWVIPLA,LCZFTDMCSA,N,"TG(18:1(11Z)/14:0/18:3(6Z,9Z,12Z))",LLTSKULJWVIPLA-LCZFTDMCSA-N
HMDB49080,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,52H,4-15,17-18,21-22,25,27-51H2,1-3H3/b19-16-,23-20-,26-24-/t52-/m0/s1",COWOCJLJJIQXGS,RFTPNAAMSA,N,TG(18:1(11Z)/14:0/20:2n6),COWOCJLJJIQXGS-RFTPNAAMSA-N
HMDB49081,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29,31,52H,4-15,17-18,21-22,25,27-28,30,32-51H2,1-3H3/b19-16-,23-20-,26-24-,31-29-/t52-/m0/s1",WWLNTUDGINCFNU,LPEVHSOCSA,N,TG(18:1(11Z)/14:0/20:3n6),WWLNTUDGINCFNU-LPEVHSOCSA-N
HMDB49082,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29,31,36,39,52H,4-15,17-18,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b19-16-,23-20-,26-24-,31-29-,39-36-/t52-/m0/s1",WWCDEFDAYUEHDA,OKQKBTIDSA,N,"TG(18:1(11Z)/14:0/20:4(5Z,8Z,11Z,14Z))",WWCDEFDAYUEHDA-OKQKBTIDSA-N
HMDB49083,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,54H,4-15,17-18,21-22,25,27-53H2,1-3H3/b19-16-,23-20-,26-24-/t54-/m0/s1",CLRWKONSSADDAS,CGBZTZCNSA,N,"TG(18:1(11Z)/14:0/22:2(13Z,16Z))",CLRWKONSSADDAS-CGBZTZCNSA-N
HMDB49084,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,33,36,54H,4-15,17-18,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,36-33-/t54-/m0/s1",NXOBVWVEMROHRA,WFLHAWLWSA,N,"TG(18:1(11Z)/14:0/22:4(7Z,10Z,13Z,16Z))",NXOBVWVEMROHRA-WFLHAWLWSA-N
HMDB49085,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,33,36,41,44,54H,4-15,17-18,21-22,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,36-33-,44-41-/t54-/m0/s1",FKZGZZNKYXTECE,KXEQORIUSA,N,"TG(18:1(11Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",FKZGZZNKYXTECE-KXEQORIUSA-N
HMDB49086,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,50H,4-6,8-9,11-15,17-18,21-22,25,27-49H2,1-3H3/b10-7-,19-16-,23-20-,26-24-/t50-/m1/s1",NSFLSRJVXRYNOI,QXLVXZFFSA,N,"TG(18:1(11Z)/14:0/18:3(9Z,12Z,15Z))",NSFLSRJVXRYNOI-QXLVXZFFSA-N
HMDB49087,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,31,33,50H,4-6,8-9,11-15,17-18,21-22,25,27-30,32,34-49H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,33-31-/t50-/m1/s1",UJHHXEPIHQDHIE,FYJMSPSOSA,N,"TG(18:1(11Z)/14:0/18:4(6Z,9Z,12Z,15Z))",UJHHXEPIHQDHIE-FYJMSPSOSA-N
HMDB49088,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29,31,52H,4-6,8-9,11-15,17-18,21-22,25,27-28,30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,31-29-/t52-/m0/s1",QQGXWCCPNYCUGW,BNDMSUNUSA,N,"TG(18:1(11Z)/14:0/20:4(8Z,11Z,14Z,17Z))",QQGXWCCPNYCUGW-BNDMSUNUSA-N
HMDB49089,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29,31,36,39,52H,4-6,8-9,11-15,17-18,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,31-29-,39-36-/t52-/m0/s1",WXQNEFXCDSRNQS,XFJKCJDJSA,N,"TG(18:1(11Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",WXQNEFXCDSRNQS-XFJKCJDJSA-N
HMDB49090,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,28-29,33,36,54H,4-6,8-9,11-15,17-18,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-28-,36-33-/t54-/m0/s1",SBMOAPXKEOFEGD,GVZRGWGESA,N,"TG(18:1(11Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",SBMOAPXKEOFEGD-GVZRGWGESA-N
HMDB49091,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,28-29,33,36,41,44,54H,4-6,8-9,11-15,17-18,21-22,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-28-,36-33-,44-41-/t54-/m0/s1",NSBKMKUDYARXNW,LHFPCNPOSA,N,"TG(18:1(11Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NSBKMKUDYARXNW-LHFPCNPOSA-N
HMDB49092,818.772726384,C53H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/m1/s1",POWNKXJUYNRFTR,FECCDXIYSA,N,TG(18:1(11Z)/14:0/o-18:0),POWNKXJUYNRFTR-FECCDXIYSA-N
HMDB49093,844.751990932,C54H100O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,51H,4-18,21,24-50H2,1-3H3/b22-19-,23-20-",SFPCVVCYUKKYAQ,IKJQKJQYSA,N,TG(18:1(11Z)/15:0/18:1(11Z)),SFPCVVCYUKKYAQ-IKJQKJQYSA-N
HMDB49094,844.75199094,C54H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,26,28,51H,4-18,20-21,23-25,27,29-50H2,1-3H3/b22-19-,28-26-/t51-/m0/s1",KBNDKUAVMWHURA,GBFIOKSXSA,N,TG(18:1(11Z)/15:0/18:1(9Z)),KBNDKUAVMWHURA-GBFIOKSXSA-N
HMDB49095,872.783291069,C56H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,53H,4-19,21-22,24,26,28-52H2,1-3H3/b23-20-,27-25-/t53-/m0/s1",AMFYCOXNNCNRAG,RJESXJJUSA,N,TG(18:1(11Z)/15:0/20:1(11Z)),AMFYCOXNNCNRAG-RJESXJJUSA-N
HMDB49096,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30,32,37,40,53H,4-19,21-22,24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b23-20-,27-25-,32-30-,40-37-/t53-/m0/s1",DDGHHAZJFCBRHJ,IYSXAYJMSA,N,"TG(18:1(11Z)/15:0/20:3(5Z,8Z,11Z))",DDGHHAZJFCBRHJ-IYSXAYJMSA-N
HMDB49097,900.814591198,C58H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h20,23,25,27,55H,4-19,21-22,24,26,28-54H2,1-3H3/b23-20-,27-25-/t55-/m0/s1",GMAKSYKQOAZEOW,NIVQFDLGSA,N,TG(18:1(11Z)/15:0/22:1(13Z)),GMAKSYKQOAZEOW-NIVQFDLGSA-N
HMDB49098,928.845891326,C60H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h20,23,25,27,57H,4-19,21-22,24,26,28-56H2,1-3H3/b23-20-,27-25-/t57-/m0/s1",KQHASAPONQJTLX,DZBSVEODSA,N,TG(18:1(11Z)/15:0/24:1(15Z)),KQHASAPONQJTLX-DZBSVEODSA-N
HMDB49099,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,51H,4-15,17-18,21-22,24,26,28-50H2,1-3H3/b19-16-,23-20-,27-25-/t51-/m1/s1",PIYNNEKPAVFCLZ,FSYTWVSBSA,N,"TG(18:1(11Z)/15:0/18:2(9Z,12Z))",PIYNNEKPAVFCLZ-FSYTWVSBSA-N
HMDB49100,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,32,34,51H,4-15,17-18,21-22,24,26,28-31,33,35-50H2,1-3H3/b19-16-,23-20-,27-25-,34-32-/t51-/m1/s1",CGVHTIOPWFNBMT,DEMXLYPUSA,N,"TG(18:1(11Z)/15:0/18:3(6Z,9Z,12Z))",CGVHTIOPWFNBMT-DEMXLYPUSA-N
HMDB49101,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,53H,4-15,17-18,21-22,24,26,28-52H2,1-3H3/b19-16-,23-20-,27-25-/t53-/m0/s1",OUGIXACHLSFFPA,RSXUMRGKSA,N,TG(18:1(11Z)/15:0/20:2n6),OUGIXACHLSFFPA-RSXUMRGKSA-N
HMDB49102,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,32,53H,4-15,17-18,21-22,24,26,28-29,31,33-52H2,1-3H3/b19-16-,23-20-,27-25-,32-30-/t53-/m0/s1",OOCKRIHVNHFTAZ,MEAHAJCSSA,N,TG(18:1(11Z)/15:0/20:3n6),OOCKRIHVNHFTAZ-MEAHAJCSSA-N
HMDB49103,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,32,37,40,53H,4-15,17-18,21-22,24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b19-16-,23-20-,27-25-,32-30-,40-37-/t53-/m0/s1",RZLOWKLSNUZKQA,KHMGOOCNSA,N,"TG(18:1(11Z)/15:0/20:4(5Z,8Z,11Z,14Z))",RZLOWKLSNUZKQA-KHMGOOCNSA-N
HMDB49104,898.798941133,C58H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,55H,4-15,17-18,21-22,24,26,28-54H2,1-3H3/b19-16-,23-20-,27-25-/t55-/m0/s1",DZYJOMOZYGTRHJ,HNBAGWGBSA,N,"TG(18:1(11Z)/15:0/22:2(13Z,16Z))",DZYJOMOZYGTRHJ-HNBAGWGBSA-N
HMDB49105,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,34,37,55H,4-15,17-18,21-22,24,26,28,31-33,35-36,38-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-34-/t55-/m0/s1",CNBDRGIGQXDWOQ,BQAUTDMUSA,N,"TG(18:1(11Z)/15:0/22:4(7Z,10Z,13Z,16Z))",CNBDRGIGQXDWOQ-BQAUTDMUSA-N
HMDB49106,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,34,37,42,45,55H,4-15,17-18,21-22,24,26,28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-34-,45-42-/t55-/m0/s1",ZIQCXBKZUWVNHY,RCGHCJDQSA,N,"TG(18:1(11Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZIQCXBKZUWVNHY-RCGHCJDQSA-N
HMDB49107,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,51H,4-6,8-9,11-15,17-18,21-22,24,26,28-50H2,1-3H3/b10-7-,19-16-,23-20-,27-25-/t51-/m1/s1",ITSCAYAKIIHJNP,QUGRPPMVSA,N,"TG(18:1(11Z)/15:0/18:3(9Z,12Z,15Z))",ITSCAYAKIIHJNP-QUGRPPMVSA-N
HMDB49108,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,32,34,51H,4-6,8-9,11-15,17-18,21-22,24,26,28-31,33,35-50H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,34-32-/t51-/m1/s1",HHFAROYQKGTJAL,IXDQOQQGSA,N,"TG(18:1(11Z)/15:0/18:4(6Z,9Z,12Z,15Z))",HHFAROYQKGTJAL-IXDQOQQGSA-N
HMDB49109,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,32,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31,33-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,32-30-/t53-/m0/s1",HVEIMPPGRSQYBC,BIMPWVGNSA,N,"TG(18:1(11Z)/15:0/20:4(8Z,11Z,14Z,17Z))",HVEIMPPGRSQYBC-BIMPWVGNSA-N
HMDB49110,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,32,37,40,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,32-30-,40-37-/t53-/m0/s1",OOFGWPGSKFGZRU,PMLRDXHVSA,N,"TG(18:1(11Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",OOFGWPGSKFGZRU-PMLRDXHVSA-N
HMDB49111,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,34,37,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-34-/t55-/m0/s1",HYUZUOCZDJCSAW,NHXSONEDSA,N,"TG(18:1(11Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",HYUZUOCZDJCSAW-NHXSONEDSA-N
HMDB49112,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,34,37,42,45,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-34-,45-42-/t55-/m0/s1",NFCGZMZRDOOPRR,MGRVWFEWSA,N,"TG(18:1(11Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NFCGZMZRDOOPRR-MGRVWFEWSA-N
HMDB49113,832.788376449,C54H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-/t52-/m1/s1",MPYBOTIYCVLPJN,AZEUCKTBSA,N,TG(18:1(11Z)/15:0/o-18:0),MPYBOTIYCVLPJN-AZEUCKTBSA-N
HMDB49116,886.798941133,C57H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,54H,4-19,21-22,24,26,28-53H2,1-3H3/b23-20-,27-25-/t54-/m0/s1",MITSVMDSXXJQFN,NQVVYBPZSA,N,TG(18:1(11Z)/16:0/20:1(11Z)),MITSVMDSXXJQFN-NQVVYBPZSA-N
HMDB49117,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30,33,38,41,54H,4-19,21-22,24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b23-20-,27-25-,33-30-,41-38-/t54-/m0/s1",OUQVHWIIFCXSRJ,BXFOAEPDSA,N,"TG(18:1(11Z)/16:0/20:3(5Z,8Z,11Z))",OUQVHWIIFCXSRJ-BXFOAEPDSA-N
HMDB49118,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h20,23,25,27,56H,4-19,21-22,24,26,28-55H2,1-3H3/b23-20-,27-25-/t56-/m0/s1",KGCKCEDJXPOMSE,JSPVYFJMSA,N,TG(18:1(11Z)/16:0/22:1(13Z)),KGCKCEDJXPOMSE-JSPVYFJMSA-N
HMDB49119,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h20,23,25,27,58H,4-19,21-22,24,26,28-57H2,1-3H3/b23-20-,27-25-/t58-/m0/s1",QMUSPYPGMAYRTR,GKJJFOOMSA,N,TG(18:1(11Z)/16:0/24:1(15Z)),QMUSPYPGMAYRTR-GKJJFOOMSA-N
HMDB49121,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,32,35,52H,4-15,17-18,21-22,24,26,28-31,33-34,36-51H2,1-3H3/b19-16-,23-20-,27-25-,35-32-/t52-/m1/s1",IFSUVFBQCDFNRN,HHDAXIINSA,N,"TG(18:1(11Z)/16:0/18:3(6Z,9Z,12Z))",IFSUVFBQCDFNRN-HHDAXIINSA-N
HMDB49122,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,54H,4-15,17-18,21-22,24,26,28-53H2,1-3H3/b19-16-,23-20-,27-25-/t54-/m0/s1",QURCKNKEXAUCID,VXLYYTGTSA,N,TG(18:1(11Z)/16:0/20:2n6),QURCKNKEXAUCID-VXLYYTGTSA-N
HMDB49123,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,33,54H,4-15,17-18,21-22,24,26,28-29,31-32,34-53H2,1-3H3/b19-16-,23-20-,27-25-,33-30-/t54-/m0/s1",GLBKLCZHEXMDML,GGGLHGFASA,N,TG(18:1(11Z)/16:0/20:3n6),GLBKLCZHEXMDML-GGGLHGFASA-N
HMDB49125,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,56H,4-15,17-18,21-22,24,26,28-55H2,1-3H3/b19-16-,23-20-,27-25-/t56-/m0/s1",NDOHGHHZTFRWFG,FLFWTULSSA,N,"TG(18:1(11Z)/16:0/22:2(13Z,16Z))",NDOHGHHZTFRWFG-FLFWTULSSA-N
HMDB49126,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,35,37,56H,4-15,17-18,21-22,24,26,28,31-34,36,38-55H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-35-/t56-/m0/s1",FWWZTLBKQHXNOS,JCEFILPRSA,N,"TG(18:1(11Z)/16:0/22:4(7Z,10Z,13Z,16Z))",FWWZTLBKQHXNOS-JCEFILPRSA-N
HMDB49127,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,35,37,43,46,56H,4-15,17-18,21-22,24,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-35-,46-43-/t56-/m0/s1",ZXMXQIAZHDVZLV,ZUPPVDFXSA,N,"TG(18:1(11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZXMXQIAZHDVZLV-ZUPPVDFXSA-N
HMDB49129,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,32,35,52H,4-6,8-9,11-15,17-18,21-22,24,26,28-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,35-32-/t52-/m1/s1",ACPCBDGMDMCVRO,QOWKEDLHSA,N,"TG(18:1(11Z)/16:0/18:4(6Z,9Z,12Z,15Z))",ACPCBDGMDMCVRO-QOWKEDLHSA-N
HMDB49130,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,33,54H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,33-30-/t54-/m0/s1",NBXZHICDXWJXHJ,DOECFCCQSA,N,"TG(18:1(11Z)/16:0/20:4(8Z,11Z,14Z,17Z))",NBXZHICDXWJXHJ-DOECFCCQSA-N
HMDB49131,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,33,38,41,54H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,33-30-,41-38-/t54-/m0/s1",QYQBEEDBJACQDL,PCVVLEEZSA,N,"TG(18:1(11Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",QYQBEEDBJACQDL-PCVVLEEZSA-N
HMDB49132,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,35,37,56H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-34,36,38-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-35-/t56-/m0/s1",YZZOGKJPQWDPTG,ZYTXZQBESA,N,"TG(18:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",YZZOGKJPQWDPTG-ZYTXZQBESA-N
HMDB49133,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,35,37,43,46,56H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-35-,46-43-/t56-/m0/s1",JCCQFRKNEDOALF,ZFORYSGISA,N,"TG(18:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JCCQFRKNEDOALF-ZFORYSGISA-N
HMDB49134,846.804026513,C55H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-/t53-/m1/s1",QYFCRWWGFXJZNH,WYGCASPRSA,N,TG(18:1(11Z)/16:0/o-18:0),QYFCRWWGFXJZNH-WYGCASPRSA-N
HMDB49137,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,25,28,56H,4-19,21-22,24,26-27,29-55H2,1-3H3/b23-20-,28-25-/t56-/m0/s1",QFNUIDSUZKRNIE,RNVNXQLBSA,N,TG(18:1(11Z)/18:0/20:1(11Z)),QFNUIDSUZKRNIE-RNVNXQLBSA-N
HMDB49138,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,25,28,32,34,40,43,56H,4-19,21-22,24,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b23-20-,28-25-,34-32-,43-40-/t56-/m0/s1",DRVJVLMIWKMTFZ,FUTJZTTMSA,N,"TG(18:1(11Z)/18:0/20:3(5Z,8Z,11Z))",DRVJVLMIWKMTFZ-FUTJZTTMSA-N
HMDB49139,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20,23,25,28,58H,4-19,21-22,24,26-27,29-57H2,1-3H3/b23-20-,28-25-/t58-/m0/s1",DDQPMPZGDGZDLB,JALZRBNSSA,N,TG(18:1(11Z)/18:0/22:1(13Z)),DDQPMPZGDGZDLB-JALZRBNSSA-N
HMDB49140,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h20,23,25,28,60H,4-19,21-22,24,26-27,29-59H2,1-3H3/b23-20-,28-25-/t60-/m0/s1",ZKVCIPCWALLPQC,JFTSYQGJSA,N,TG(18:1(11Z)/18:0/24:1(15Z)),ZKVCIPCWALLPQC-JFTSYQGJSA-N
HMDB49142,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,34,37,54H,4-15,17-18,21-22,24,26-27,29-33,35-36,38-53H2,1-3H3/b19-16-,23-20-,28-25-,37-34-/t54-/m1/s1",AIJGPUXXVZKCOC,QRKCIAQMSA,N,"TG(18:1(11Z)/18:0/18:3(6Z,9Z,12Z))",AIJGPUXXVZKCOC-QRKCIAQMSA-N
HMDB49143,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,56H,4-15,17-18,21-22,24,26-27,29-55H2,1-3H3/b19-16-,23-20-,28-25-/t56-/m0/s1",SXRWWUSDMSRKEH,OXSZLNSZSA,N,TG(18:1(11Z)/18:0/20:2n6),SXRWWUSDMSRKEH-OXSZLNSZSA-N
HMDB49144,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,32,34,56H,4-15,17-18,21-22,24,26-27,29-31,33,35-55H2,1-3H3/b19-16-,23-20-,28-25-,34-32-/t56-/m0/s1",FJMRFYZMPBIOAP,OTOCBKCESA,N,TG(18:1(11Z)/18:0/20:3n6),FJMRFYZMPBIOAP-OTOCBKCESA-N
HMDB49145,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,32,34,40,43,56H,4-15,17-18,21-22,24,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,23-20-,28-25-,34-32-,43-40-/t56-/m0/s1",ZPBHECLLGRENQF,DCIQJNERSA,N,"TG(18:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z))",ZPBHECLLGRENQF-DCIQJNERSA-N
HMDB49146,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,58H,4-15,17-18,21-22,24,26-27,29-57H2,1-3H3/b19-16-,23-20-,28-25-/t58-/m0/s1",HJLYLYOJMWMVLA,YJOVGJGPSA,N,"TG(18:1(11Z)/18:0/22:2(13Z,16Z))",HJLYLYOJMWMVLA-YJOVGJGPSA-N
HMDB49147,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,30-31,36,39,58H,4-15,17-18,21-22,24,26-27,29,32-35,37-38,40-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,39-36-/t58-/m0/s1",SEWGKKDAAMQWNN,CHTNISLYSA,N,"TG(18:1(11Z)/18:0/22:4(7Z,10Z,13Z,16Z))",SEWGKKDAAMQWNN-CHTNISLYSA-N
HMDB49148,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,30-31,36,39,45,48,58H,4-15,17-18,21-22,24,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,39-36-,48-45-/t58-/m0/s1",VHWADFNXCUJXQT,PHXYJYIHSA,N,"TG(18:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",VHWADFNXCUJXQT-PHXYJYIHSA-N
HMDB49149,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,54H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-53H2,1-3H3/b10-7-,19-16-,23-20-,28-25-/t54-/m1/s1",BZAUSRZLPIJRHO,OYDPGXKPSA,N,"TG(18:1(11Z)/18:0/18:3(9Z,12Z,15Z))",BZAUSRZLPIJRHO-OYDPGXKPSA-N
HMDB49150,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,34,37,54H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,37-34-/t54-/m1/s1",DNMGYNOZYHVTMB,HGTYTGFRSA,N,"TG(18:1(11Z)/18:0/18:4(6Z,9Z,12Z,15Z))",DNMGYNOZYHVTMB-HGTYTGFRSA-N
HMDB49151,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,32,34,56H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-31,33,35-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,34-32-/t56-/m0/s1",XULBJFIGJPSRMM,PBCBLAEOSA,N,"TG(18:1(11Z)/18:0/20:4(8Z,11Z,14Z,17Z))",XULBJFIGJPSRMM-PBCBLAEOSA-N
HMDB49152,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,32,34,40,43,56H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,34-32-,43-40-/t56-/m0/s1",MFKQIPAIAZQXPL,BJLCLFEISA,N,"TG(18:1(11Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",MFKQIPAIAZQXPL-BJLCLFEISA-N
HMDB49153,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,30-31,36,39,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,29,32-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,39-36-/t58-/m0/s1",ZQQYCLDPIGGBPJ,ZSIUHAOMSA,N,"TG(18:1(11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",ZQQYCLDPIGGBPJ-ZSIUHAOMSA-N
HMDB49154,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,30-31,36,39,45,48,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,39-36-,48-45-/t58-/m0/s1",ZSOOOOPVSLFHQR,FREMLDHCSA,N,"TG(18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZSOOOOPVSLFHQR-FREMLDHCSA-N
HMDB49155,874.835326642,C57H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-/t55-/m1/s1",KJOJFBLODPQJLX,ORXJQOAGSA,N,TG(18:1(11Z)/18:0/o-18:0),KJOJFBLODPQJLX-ORXJQOAGSA-N
HMDB49156,914.830241252,C59H110O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-",MIAUUKZRJAXLRT,XFUYORNGSA,N,TG(18:1(11Z)/20:0/18:1(11Z)),MIAUUKZRJAXLRT-XFUYORNGSA-N
HMDB49157,914.830241262,C59H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,27,31,56H,4-19,21-22,24-26,28-30,32-55H2,1-3H3/b23-20-,31-27-/t56-/m0/s1",KMXCXZGPKXMYER,ZJHNNUDUSA,N,TG(18:1(11Z)/20:0/18:1(9Z)),KMXCXZGPKXMYER-ZJHNNUDUSA-N
HMDB49158,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,58H,4-20,22-23,26-27,29-57H2,1-3H3/b24-21-,28-25-/t58-/m0/s1",RMYOOEULFAUMKN,XURCBCPLSA,N,TG(18:1(11Z)/20:0/20:1(11Z)),RMYOOEULFAUMKN-XURCBCPLSA-N
HMDB49159,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,33,36,42,45,58H,4-20,22-23,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b24-21-,28-25-,36-33-,45-42-/t58-/m0/s1",RUUBPRONLULDIJ,AIQBBPGJSA,N,"TG(18:1(11Z)/20:0/20:3(5Z,8Z,11Z))",RUUBPRONLULDIJ-AIQBBPGJSA-N
HMDB49160,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,60H,4-20,22-23,26-27,29-59H2,1-3H3/b24-21-,28-25-/t60-/m0/s1",BDNLTRKYOYVEEN,WCGXTGDWSA,N,TG(18:1(11Z)/20:0/22:1(13Z)),BDNLTRKYOYVEEN-WCGXTGDWSA-N
HMDB49161,998.924141648,C65H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,62H,4-20,22-23,26-27,29-61H2,1-3H3/b24-21-,28-25-/t62-/m0/s1",RDPGHKPIULATHW,OULTXJEZSA,N,TG(18:1(11Z)/20:0/24:1(15Z)),RDPGHKPIULATHW-OULTXJEZSA-N
HMDB49162,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,30,56H,4-16,18-19,22-23,25,27-29,31-55H2,1-3H3/b20-17-,24-21-,30-26-/t56-/m1/s1",GYSQNVRHEOSKHO,JFIUGZSTSA,N,"TG(18:1(11Z)/20:0/18:2(9Z,12Z))",GYSQNVRHEOSKHO-JFIUGZSTSA-N
HMDB49163,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,30,36,39,56H,4-16,18-19,22-23,25,27-29,31-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,30-26-,39-36-/t56-/m1/s1",YEGFKKWSZRKAMA,CIGNOZDCSA,N,"TG(18:1(11Z)/20:0/18:3(6Z,9Z,12Z))",YEGFKKWSZRKAMA-CIGNOZDCSA-N
HMDB49164,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,58H,4-15,17-18,20,22-23,26-27,29-57H2,1-3H3/b19-16-,24-21-,28-25-/t58-/m0/s1",MCTZBSNODNYQBM,OEMAFOEQSA,N,TG(18:1(11Z)/20:0/20:2n6),MCTZBSNODNYQBM-OEMAFOEQSA-N
HMDB49165,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,33,36,58H,4-15,17-18,20,22-23,26-27,29-32,34-35,37-57H2,1-3H3/b19-16-,24-21-,28-25-,36-33-/t58-/m0/s1",HYPRJUDAMZSDSL,YQEKJALISA,N,TG(18:1(11Z)/20:0/20:3n6),HYPRJUDAMZSDSL-YQEKJALISA-N
HMDB49166,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,33,36,42,45,58H,4-15,17-18,20,22-23,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,24-21-,28-25-,36-33-,45-42-/t58-/m0/s1",YMWRTRKYQQEVSS,GCOOITRFSA,N,"TG(18:1(11Z)/20:0/20:4(5Z,8Z,11Z,14Z))",YMWRTRKYQQEVSS-GCOOITRFSA-N
HMDB49167,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,60H,4-15,17-18,20,22-23,26-27,29-59H2,1-3H3/b19-16-,24-21-,28-25-/t60-/m0/s1",ZDRCFAZKFWDKNW,LTSCPUBNSA,N,"TG(18:1(11Z)/20:0/22:2(13Z,16Z))",ZDRCFAZKFWDKNW-LTSCPUBNSA-N
HMDB49168,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,31,33,38,41,60H,4-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,28-25-,33-31-,41-38-/t60-/m0/s1",UYEMGSOIPJXIHT,QUTOEGKMSA,N,"TG(18:1(11Z)/20:0/22:4(7Z,10Z,13Z,16Z))",UYEMGSOIPJXIHT-QUTOEGKMSA-N
HMDB49169,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,33-31-,41-38-,50-47-/t60-/m0/s1",GNQOPFBPJFYLEN,ZXZGDFTBSA,N,"TG(18:1(11Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",GNQOPFBPJFYLEN-ZXZGDFTBSA-N
HMDB49170,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,30,56H,4-7,9-10,12-16,18-19,22-23,25,27-29,31-55H2,1-3H3/b11-8-,20-17-,24-21-,30-26-/t56-/m1/s1",ITJGNFDNTHHRIP,YGOLKDELSA,N,"TG(18:1(11Z)/20:0/18:3(9Z,12Z,15Z))",ITJGNFDNTHHRIP-YGOLKDELSA-N
HMDB49171,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,30,36,39,56H,4-7,9-10,12-16,18-19,22-23,25,27-29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,30-26-,39-36-/t56-/m1/s1",JYKDXPJYONKEDO,ZCTRBFMXSA,N,"TG(18:1(11Z)/20:0/18:4(6Z,9Z,12Z,15Z))",JYKDXPJYONKEDO-ZCTRBFMXSA-N
HMDB49172,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,33,36,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-32,34-35,37-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,36-33-/t58-/m0/s1",SSVCPYUNTCSNNR,BGZMKMPJSA,N,"TG(18:1(11Z)/20:0/20:4(8Z,11Z,14Z,17Z))",SSVCPYUNTCSNNR-BGZMKMPJSA-N
HMDB49173,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,33,36,42,45,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,36-33-,45-42-/t58-/m0/s1",XOPZHHGSGKFFOC,NHVSGCJMSA,N,"TG(18:1(11Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",XOPZHHGSGKFFOC-NHVSGCJMSA-N
HMDB49174,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,41-38-/t60-/m0/s1",PNELOFAUJCQISE,CTDBYVDHSA,N,"TG(18:1(11Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",PNELOFAUJCQISE-CTDBYVDHSA-N
HMDB49175,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,41-38-,50-47-/t60-/m0/s1",OABDEUJOWDXTCO,ADZJPNINSA,N,"TG(18:1(11Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OABDEUJOWDXTCO-ADZJPNINSA-N
HMDB49176,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-/t57-/m1/s1",UORVMJWANGGOMW,COAUFNLESA,N,TG(18:1(11Z)/20:0/o-18:0),UORVMJWANGGOMW-COAUFNLESA-N
HMDB49177,942.86154138,C61H114O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20-21,23-24,58H,4-19,22,25-57H2,1-3H3/b23-20-,24-21-",RKIWUSSRNOMOHK,XFUYORNGSA,N,TG(18:1(11Z)/22:0/18:1(11Z)),RKIWUSSRNOMOHK-XFUYORNGSA-N
HMDB49178,942.861541391,C61H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20,23,27,33,58H,4-19,21-22,24-26,28-32,34-57H2,1-3H3/b23-20-,33-27-/t58-/m0/s1",GFFLZJLHLVDXFE,LHKBXGIASA,N,TG(18:1(11Z)/22:0/18:1(9Z)),GFFLZJLHLVDXFE-LHKBXGIASA-N
HMDB49179,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,60H,4-20,22-23,25,27-28,30-59H2,1-3H3/b24-21-,29-26-/t60-/m0/s1",CCPVIYZRYMYSQZ,YVGCHGTOSA,N,TG(18:1(11Z)/22:0/20:1(11Z)),CCPVIYZRYMYSQZ-YVGCHGTOSA-N
HMDB49180,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,35,38,44,47,60H,4-20,22-23,25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b24-21-,29-26-,38-35-,47-44-/t60-/m0/s1",WSXKYZANGLDIKE,YZMOLHRRSA,N,"TG(18:1(11Z)/22:0/20:3(5Z,8Z,11Z))",WSXKYZANGLDIKE-YZMOLHRRSA-N
HMDB49181,998.924141648,C65H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,62H,4-20,22-23,26-27,29-61H2,1-3H3/b24-21-,28-25-/t62-/m0/s1",APJXVHPCKKDREU,OULTXJEZSA,N,TG(18:1(11Z)/22:0/22:1(13Z)),APJXVHPCKKDREU-OULTXJEZSA-N
HMDB49182,1026.955441777,C67H126O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,64H,4-20,22-23,26-27,29-63H2,1-3H3/b24-21-,28-25-/t64-/m0/s1",RXECKSCBLCHQQO,SDZVRZGUSA,N,TG(18:1(11Z)/22:0/24:1(15Z)),RXECKSCBLCHQQO-SDZVRZGUSA-N
HMDB49183,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,32,58H,4-16,18-19,22-23,25,27-31,33-57H2,1-3H3/b20-17-,24-21-,32-26-/t58-/m1/s1",UEZYCMFLJSEDEB,IUDYXZLCSA,N,"TG(18:1(11Z)/22:0/18:2(9Z,12Z))",UEZYCMFLJSEDEB-IUDYXZLCSA-N
HMDB49184,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,32,38,41,58H,4-16,18-19,22-23,25,27-31,33-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,32-26-,41-38-/t58-/m1/s1",LAGWHQFUVYNWQJ,LEVMJDGGSA,N,"TG(18:1(11Z)/22:0/18:3(6Z,9Z,12Z))",LAGWHQFUVYNWQJ-LEVMJDGGSA-N
HMDB49185,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,60H,4-16,18-19,22-23,25,27-28,30-59H2,1-3H3/b20-17-,24-21-,29-26-/t60-/m0/s1",PJUDTLQEZCEYBU,UOKIHHONSA,N,TG(18:1(11Z)/22:0/20:2n6),PJUDTLQEZCEYBU-UOKIHHONSA-N
HMDB49186,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,38,60H,4-16,18-19,22-23,25,27-28,30-34,36-37,39-59H2,1-3H3/b20-17-,24-21-,29-26-,38-35-/t60-/m0/s1",KBTUAEPMBMZEAT,GJPADJMISA,N,TG(18:1(11Z)/22:0/20:3n6),KBTUAEPMBMZEAT-GJPADJMISA-N
HMDB49187,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,38,44,47,60H,4-16,18-19,22-23,25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,24-21-,29-26-,38-35-,47-44-/t60-/m0/s1",GPRNIHMMZUKOCG,UJZJWDKFSA,N,"TG(18:1(11Z)/22:0/20:4(5Z,8Z,11Z,14Z))",GPRNIHMMZUKOCG-UJZJWDKFSA-N
HMDB49188,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,62H,4-15,17-18,20,22-23,26-27,29-61H2,1-3H3/b19-16-,24-21-,28-25-/t62-/m0/s1",QTHKUGWLLFOXNX,VFJKHEDVSA,N,"TG(18:1(11Z)/22:0/22:2(13Z,16Z))",QTHKUGWLLFOXNX-VFJKHEDVSA-N
HMDB49189,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,40,43,62H,4-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-61H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,43-40-/t62-/m0/s1",CAJUOHLJJXPZNT,LOJFYUJQSA,N,"TG(18:1(11Z)/22:0/22:4(7Z,10Z,13Z,16Z))",CAJUOHLJJXPZNT-LOJFYUJQSA-N
HMDB49190,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,40,43,49,52,62H,4-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,43-40-,52-49-/t62-/m0/s1",FFPQFYXIKREVIR,HLODOMDCSA,N,"TG(18:1(11Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",FFPQFYXIKREVIR-HLODOMDCSA-N
HMDB49191,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,32,58H,4-7,9-10,12-16,18-19,22-23,25,27-31,33-57H2,1-3H3/b11-8-,20-17-,24-21-,32-26-/t58-/m1/s1",UGOUYCBMFPBXOX,VKCGIOIVSA,N,"TG(18:1(11Z)/22:0/18:3(9Z,12Z,15Z))",UGOUYCBMFPBXOX-VKCGIOIVSA-N
HMDB49192,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,32,38,41,58H,4-7,9-10,12-16,18-19,22-23,25,27-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,32-26-,41-38-/t58-/m1/s1",WBLYMAORUJROLE,XWEHDHMQSA,N,"TG(18:1(11Z)/22:0/18:4(6Z,9Z,12Z,15Z))",WBLYMAORUJROLE-XWEHDHMQSA-N
HMDB49193,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,35,38,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,38-35-/t60-/m0/s1",ZGUXKEKZSSEOPN,GPMKWKPKSA,N,"TG(18:1(11Z)/22:0/20:4(8Z,11Z,14Z,17Z))",ZGUXKEKZSSEOPN-GPMKWKPKSA-N
HMDB49194,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,35,38,44,47,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,38-35-,47-44-/t60-/m0/s1",WZCUNFYCFDLHNZ,FPOJOZEWSA,N,"TG(18:1(11Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",WZCUNFYCFDLHNZ-FPOJOZEWSA-N
HMDB49195,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,40,43,62H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,43-40-/t62-/m0/s1",UXJWHDVHLNKWOA,UWFKDIPISA,N,"TG(18:1(11Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",UXJWHDVHLNKWOA-UWFKDIPISA-N
HMDB49196,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,40,43,49,52,62H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,43-40-,52-49-/t62-/m0/s1",BGYOZJQCYKADBU,DUVYNMCBSA,N,"TG(18:1(11Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BGYOZJQCYKADBU-DUVYNMCBSA-N
HMDB49197,930.8979269,C61H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h21,24,59H,4-20,22-23,25-58H2,1-3H3/b24-21-/t59-/m1/s1",CPKNJFHQNBGXJT,VQUDVRKKSA,N,TG(18:1(11Z)/22:0/o-18:0),CPKNJFHQNBGXJT-VQUDVRKKSA-N
HMDB49198,970.892841508,C63H118O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h20-21,23-24,60H,4-19,22,25-59H2,1-3H3/b23-20-,24-21-",NZJOZQGTEOIRPE,XFUYORNGSA,N,TG(18:1(11Z)/24:0/18:1(11Z)),NZJOZQGTEOIRPE-XFUYORNGSA-N
HMDB49199,970.89284152,C63H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h20,23,27,35,60H,4-19,21-22,24-26,28-34,36-59H2,1-3H3/b23-20-,35-27-/t60-/m0/s1",ADBUUCLFUXNJAT,YNFXCUKVSA,N,TG(18:1(11Z)/24:0/18:1(9Z)),ADBUUCLFUXNJAT-YNFXCUKVSA-N
HMDB49200,998.924141648,C65H122O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,62H,4-20,22-23,25,27-28,30-61H2,1-3H3/b24-21-,29-26-/t62-/m0/s1",KNMWIBVPUPGBIJ,LYHLWSNLSA,N,TG(18:1(11Z)/24:0/20:1(11Z)),KNMWIBVPUPGBIJ-LYHLWSNLSA-N
HMDB49201,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,37,40,46,49,62H,4-20,22-23,25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b24-21-,29-26-,40-37-,49-46-/t62-/m0/s1",LFLBQEGPAQNUHO,KZKKCRHJSA,N,"TG(18:1(11Z)/24:0/20:3(5Z,8Z,11Z))",LFLBQEGPAQNUHO-KZKKCRHJSA-N
HMDB49202,1026.955441777,C67H126O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,64H,4-20,22-23,25,27-28,30-63H2,1-3H3/b24-21-,29-26-/t64-/m0/s1",XXJFYQOSRCVGGW,JRHZXQOXSA,N,TG(18:1(11Z)/24:0/22:1(13Z)),XXJFYQOSRCVGGW-JRHZXQOXSA-N
HMDB49203,1054.986741906,C69H130O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,66H,4-20,22-23,26-27,29-65H2,1-3H3/b24-21-,28-25-/t66-/m0/s1",CAJCAWUBBDKUIX,XKBNIVBPSA,N,TG(18:1(11Z)/24:0/24:1(15Z)),CAJCAWUBBDKUIX-XKBNIVBPSA-N
HMDB49204,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,34,60H,4-16,18-19,22-23,25,27-33,35-59H2,1-3H3/b20-17-,24-21-,34-26-/t60-/m1/s1",OKYXKQWJBHHXBC,ZZLUDCBUSA,N,"TG(18:1(11Z)/24:0/18:2(9Z,12Z))",OKYXKQWJBHHXBC-ZZLUDCBUSA-N
HMDB49205,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,34,40,43,60H,4-16,18-19,22-23,25,27-33,35-39,41-42,44-59H2,1-3H3/b20-17-,24-21-,34-26-,43-40-/t60-/m1/s1",RVALMDYIOYYMPN,UDBROKPMSA,N,"TG(18:1(11Z)/24:0/18:3(6Z,9Z,12Z))",RVALMDYIOYYMPN-UDBROKPMSA-N
HMDB49206,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,62H,4-16,18-19,22-23,25,27-28,30-61H2,1-3H3/b20-17-,24-21-,29-26-/t62-/m0/s1",SXIQJUVMLIOOBF,XQEGWRBBSA,N,TG(18:1(11Z)/24:0/20:2n6),SXIQJUVMLIOOBF-XQEGWRBBSA-N
HMDB49207,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,37,40,62H,4-16,18-19,22-23,25,27-28,30-36,38-39,41-61H2,1-3H3/b20-17-,24-21-,29-26-,40-37-/t62-/m0/s1",IKEQLEMRTLDVHI,NUWUERIUSA,N,TG(18:1(11Z)/24:0/20:3n6),IKEQLEMRTLDVHI-NUWUERIUSA-N
HMDB49208,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,37,40,46,49,62H,4-16,18-19,22-23,25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,24-21-,29-26-,40-37-,49-46-/t62-/m0/s1",PIZPOFPAINKIEA,MBPRSYGISA,N,"TG(18:1(11Z)/24:0/20:4(5Z,8Z,11Z,14Z))",PIZPOFPAINKIEA-MBPRSYGISA-N
HMDB49209,1024.939791713,C67H124O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,64H,4-16,18-19,22-23,25,27-28,30-63H2,1-3H3/b20-17-,24-21-,29-26-/t64-/m0/s1",VWVPMZNTMGGJGK,HWMGPKFZSA,N,"TG(18:1(11Z)/24:0/22:2(13Z,16Z))",VWVPMZNTMGGJGK-HWMGPKFZSA-N
HMDB49210,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,36,42,45,64H,4-16,18-19,22-23,25,27-28,30-33,35,37-41,43-44,46-63H2,1-3H3/b20-17-,24-21-,29-26-,36-34-,45-42-/t64-/m0/s1",WUPNWIUQLMXHHW,BPOMLTIESA,N,"TG(18:1(11Z)/24:0/22:4(7Z,10Z,13Z,16Z))",WUPNWIUQLMXHHW-BPOMLTIESA-N
HMDB49211,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,36,42,45,51,54,64H,4-16,18-19,22-23,25,27-28,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,24-21-,29-26-,36-34-,45-42-,54-51-/t64-/m0/s1",LAAQWIRLHXUOFV,JMVQOQQFSA,N,"TG(18:1(11Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",LAAQWIRLHXUOFV-JMVQOQQFSA-N
HMDB49212,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,34,60H,4-7,9-10,12-16,18-19,22-23,25,27-33,35-59H2,1-3H3/b11-8-,20-17-,24-21-,34-26-/t60-/m1/s1",ZVECOVJZJMOJSN,XITMOLFCSA,N,"TG(18:1(11Z)/24:0/18:3(9Z,12Z,15Z))",ZVECOVJZJMOJSN-XITMOLFCSA-N
HMDB49213,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,34,40,43,60H,4-7,9-10,12-16,18-19,22-23,25,27-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,24-21-,34-26-,43-40-/t60-/m1/s1",AMXNXQFOJFMVAP,YGFWICIISA,N,"TG(18:1(11Z)/24:0/18:4(6Z,9Z,12Z,15Z))",AMXNXQFOJFMVAP-YGFWICIISA-N
HMDB49214,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,37,40,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-36,38-39,41-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,40-37-/t62-/m0/s1",GHKIOLTWIKIIDL,XMKXOAKASA,N,"TG(18:1(11Z)/24:0/20:4(8Z,11Z,14Z,17Z))",GHKIOLTWIKIIDL-XMKXOAKASA-N
HMDB49215,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,37,40,46,49,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,40-37-,49-46-/t62-/m0/s1",RVBOKMWXMWWSPK,IROFSKPRSA,N,"TG(18:1(11Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",RVBOKMWXMWWSPK-IROFSKPRSA-N
HMDB49216,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,36,42,45,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35,37-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,36-34-,45-42-/t64-/m0/s1",WKAFLXPUBFDWBK,VHCNAORTSA,N,"TG(18:1(11Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",WKAFLXPUBFDWBK-VHCNAORTSA-N
HMDB49217,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,36,42,45,51,54,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,36-34-,45-42-,54-51-/t64-/m0/s1",UIUXPJHXDZHWPL,GZTSQPRESA,N,"TG(18:1(11Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UIUXPJHXDZHWPL-GZTSQPRESA-N
HMDB49218,958.929227028,C63H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h21,24,61H,4-20,22-23,25-60H2,1-3H3/b24-21-/t61-/m1/s1",ZCWCOELIGJYADE,NYINCGHRSA,N,TG(18:1(11Z)/24:0/o-18:0),ZCWCOELIGJYADE-NYINCGHRSA-N
HMDB49219,828.720690804,C53H96O6,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-20,22-23,50H,4-14,16-17,21,24-49H2,1-3H3/b18-15-,22-19-,23-20-",SXJKBEHSHBXSKA,JBRWGPMISA,N,TG(18:1(11Z)/14:1(9Z)/18:1(11Z)),SXJKBEHSHBXSKA-JBRWGPMISA-N
HMDB49220,828.720690811,C53H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,25,27,50H,4-14,16-17,20-21,23-24,26,28-49H2,1-3H3/b18-15-,22-19-,27-25-/t50-/m0/s1",GNBFJJGRWFFTKH,UHWDXPKASA,N,TG(18:1(11Z)/14:1(9Z)/18:1(9Z)),GNBFJJGRWFFTKH-UHWDXPKASA-N
HMDB49221,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,52H,4-14,16-17,19,21-22,25,27-51H2,1-3H3/b18-15-,23-20-,26-24-/t52-/m0/s1",SEJBPZVTMDKZMT,WWAUBUJQSA,N,TG(18:1(11Z)/14:1(9Z)/20:1(11Z)),SEJBPZVTMDKZMT-WWAUBUJQSA-N
HMDB49222,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,29,31,36,39,52H,4-14,16-17,19,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b18-15-,23-20-,26-24-,31-29-,39-36-/t52-/m0/s1",OYVIPANDVFEMEV,QNBZKHKPSA,N,"TG(18:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))",OYVIPANDVFEMEV-QNBZKHKPSA-N
HMDB49223,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,54H,4-14,16-17,19,21-22,25,27-53H2,1-3H3/b18-15-,23-20-,26-24-/t54-/m0/s1",PPGYTWCQPFGHHF,QSCSLWOISA,N,TG(18:1(11Z)/14:1(9Z)/22:1(13Z)),PPGYTWCQPFGHHF-QSCSLWOISA-N
HMDB49224,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,56H,4-14,16-17,19,21-22,25,27-55H2,1-3H3/b18-15-,23-20-,26-24-/t56-/m0/s1",YDCORGCWIRZWDF,ZWZMWFROSA,N,TG(18:1(11Z)/14:1(9Z)/24:1(15Z)),YDCORGCWIRZWDF-ZWZMWFROSA-N
HMDB49225,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,50H,4-14,17,21-22,25,27-49H2,1-3H3/b18-15-,19-16-,23-20-,26-24-/t50-/m1/s1",RHIACARKHNXYDX,PPKYAXCUSA,N,"TG(18:1(11Z)/14:1(9Z)/18:2(9Z,12Z))",RHIACARKHNXYDX-PPKYAXCUSA-N
HMDB49226,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,31,33,50H,4-14,17,21-22,25,27-30,32,34-49H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,33-31-/t50-/m1/s1",YFIATKXYIUMTPL,OTEDCUHMSA,N,"TG(18:1(11Z)/14:1(9Z)/18:3(6Z,9Z,12Z))",YFIATKXYIUMTPL-OTEDCUHMSA-N
HMDB49227,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,52H,4-14,17,21-22,25,27-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-/t52-/m0/s1",QTGJAQVXQSEFPT,LYSVIRBISA,N,TG(18:1(11Z)/14:1(9Z)/20:2n6),QTGJAQVXQSEFPT-LYSVIRBISA-N
HMDB49228,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,29,31,52H,4-14,17,21-22,25,27-28,30,32-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,31-29-/t52-/m0/s1",OFXPDVFCVMOXOI,MWFUTKLXSA,N,TG(18:1(11Z)/14:1(9Z)/20:3n6),OFXPDVFCVMOXOI-MWFUTKLXSA-N
HMDB49229,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,29,31,36,39,52H,4-14,17,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,31-29-,39-36-/t52-/m0/s1",QAKORMGXFDPCKT,RNIDSFSDSA,N,"TG(18:1(11Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",QAKORMGXFDPCKT-RNIDSFSDSA-N
HMDB49230,882.767641004,C57H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,54H,4-14,17,21-22,25,27-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-/t54-/m0/s1",ISZIDYGJUZQXDR,PVVBFDGQSA,N,"TG(18:1(11Z)/14:1(9Z)/22:2(13Z,16Z))",ISZIDYGJUZQXDR-PVVBFDGQSA-N
HMDB49231,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,33,36,54H,4-14,17,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,36-33-/t54-/m0/s1",QIBYPZKSFQCMRD,ACMOWMMISA,N,"TG(18:1(11Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",QIBYPZKSFQCMRD-ACMOWMMISA-N
HMDB49232,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,33,36,41,44,54H,4-14,17,21-22,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,36-33-,44-41-/t54-/m0/s1",XQQRKYMZROXACK,BWSRCNCFSA,N,"TG(18:1(11Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XQQRKYMZROXACK-BWSRCNCFSA-N
HMDB49233,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,50H,4-6,8-9,11-14,17,21-22,25,27-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-/t50-/m1/s1",JPXAPQFOKNICDF,ODHAIWKOSA,N,"TG(18:1(11Z)/14:1(9Z)/18:3(9Z,12Z,15Z))",JPXAPQFOKNICDF-ODHAIWKOSA-N
HMDB49234,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,31,33,50H,4-6,8-9,11-14,17,21-22,25,27-30,32,34-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,33-31-/t50-/m1/s1",LRKJOHOTNWZBAC,WLILQYETSA,N,"TG(18:1(11Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",LRKJOHOTNWZBAC-WLILQYETSA-N
HMDB49235,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,29,31,52H,4-6,8-9,11-14,17,21-22,25,27-28,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,31-29-/t52-/m0/s1",AOZRTFLMGQQPCP,JSLMVCTGSA,N,"TG(18:1(11Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",AOZRTFLMGQQPCP-JSLMVCTGSA-N
HMDB49236,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,29,31,36,39,52H,4-6,8-9,11-14,17,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,31-29-,39-36-/t52-/m0/s1",CZJVIPKKFNBYGS,UHXSGFDCSA,N,"TG(18:1(11Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CZJVIPKKFNBYGS-UHXSGFDCSA-N
HMDB49237,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,33,36,54H,4-6,8-9,11-14,17,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,36-33-/t54-/m0/s1",JBVZRLCKHJDPRX,FDGFENQGSA,N,"TG(18:1(11Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JBVZRLCKHJDPRX-FDGFENQGSA-N
HMDB49238,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,33,36,41,44,54H,4-6,8-9,11-14,17,21-22,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,36-33-,44-41-/t54-/m0/s1",PWLRPRZXHAYHJK,JPHMIPBESA,N,"TG(18:1(11Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PWLRPRZXHAYHJK-JPHMIPBESA-N
HMDB49239,816.75707632,C53H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,51H,4-14,16-17,19,21-22,24-50H2,1-3H3/b18-15-,23-20-/t51-/m1/s1",YIMKBZIGMXGWJV,SVLPHVQZSA,N,TG(18:1(11Z)/14:1(9Z)/o-18:0),YIMKBZIGMXGWJV-SVLPHVQZSA-N
HMDB49242,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,54H,4-19,22,26,28-53H2,1-3H3/b23-20-,24-21-,27-25-/t54-/m0/s1",NUQXGTMHWLBOFD,LJQLTSPLSA,N,TG(18:1(11Z)/16:1(9Z)/20:1(11Z)),NUQXGTMHWLBOFD-LJQLTSPLSA-N
HMDB49243,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,30,33,38,41,54H,4-19,22,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b23-20-,24-21-,27-25-,33-30-,41-38-/t54-/m0/s1",ITWXUAWJAMUWRI,DLWBBAJCSA,N,"TG(18:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))",ITWXUAWJAMUWRI-DLWBBAJCSA-N
HMDB49244,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,56H,4-19,22,26,28-55H2,1-3H3/b23-20-,24-21-,27-25-/t56-/m0/s1",ULMJNMWZYKZRKI,DAUDFTOLSA,N,TG(18:1(11Z)/16:1(9Z)/22:1(13Z)),ULMJNMWZYKZRKI-DAUDFTOLSA-N
HMDB49245,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,58H,4-19,22,26,28-57H2,1-3H3/b23-20-,24-21-,27-25-/t58-/m0/s1",KRNIAXVTJSTDFH,NVUSDZMUSA,N,TG(18:1(11Z)/16:1(9Z)/24:1(15Z)),KRNIAXVTJSTDFH-NVUSDZMUSA-N
HMDB49247,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,32,35,52H,4-15,17-18,22,26,28-31,33-34,36-51H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,35-32-/t52-/m1/s1",YOEDLSRYINEBNN,OQMRYGIWSA,N,"TG(18:1(11Z)/16:1(9Z)/18:3(6Z,9Z,12Z))",YOEDLSRYINEBNN-OQMRYGIWSA-N
HMDB49248,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,54H,4-15,17-18,22,26,28-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-/t54-/m0/s1",XDWSGZHSFJBWFG,RLDWNXHBSA,N,TG(18:1(11Z)/16:1(9Z)/20:2n6),XDWSGZHSFJBWFG-RLDWNXHBSA-N
HMDB49249,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,30,33,54H,4-15,17-18,22,26,28-29,31-32,34-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,33-30-/t54-/m0/s1",VCTYSQSAXZXBBM,LRTSRMLQSA,N,TG(18:1(11Z)/16:1(9Z)/20:3n6),VCTYSQSAXZXBBM-LRTSRMLQSA-N
HMDB49250,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,30,33,38,41,54H,4-15,17-18,22,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,33-30-,41-38-/t54-/m0/s1",WEGKXIVGQMFWNT,QXXZVZODSA,N,"TG(18:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",WEGKXIVGQMFWNT-QXXZVZODSA-N
HMDB49251,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,56H,4-15,17-18,22,26,28-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-/t56-/m0/s1",LVGJGQJUUZKXFW,LHSXNKONSA,N,"TG(18:1(11Z)/16:1(9Z)/22:2(13Z,16Z))",LVGJGQJUUZKXFW-LHSXNKONSA-N
HMDB49252,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,29-30,35,37,56H,4-15,17-18,22,26,28,31-34,36,38-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-29-,37-35-/t56-/m0/s1",CCJVHYTWSMYZLI,ZTGQHFICSA,N,"TG(18:1(11Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",CCJVHYTWSMYZLI-ZTGQHFICSA-N
HMDB49253,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,29-30,35,37,43,46,56H,4-15,17-18,22,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-29-,37-35-,46-43-/t56-/m0/s1",RJKYQRUMGNGZHV,MRVFUBBQSA,N,"TG(18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RJKYQRUMGNGZHV-MRVFUBBQSA-N
HMDB49254,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,52H,4-6,8-9,11-15,17-18,22,26,28-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-/t52-/m1/s1",XLTVJSFXOMIXKW,AWMWDXGLSA,N,"TG(18:1(11Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",XLTVJSFXOMIXKW-AWMWDXGLSA-N
HMDB49255,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,32,35,52H,4-6,8-9,11-15,17-18,22,26,28-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,35-32-/t52-/m1/s1",USJYOGLCSRXUSV,LBDSCGIBSA,N,"TG(18:1(11Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",USJYOGLCSRXUSV-LBDSCGIBSA-N
HMDB49256,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,30,33,54H,4-6,8-9,11-15,17-18,22,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,33-30-/t54-/m0/s1",IXDLMKSNWRMJFG,NUOKVZHRSA,N,"TG(18:1(11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",IXDLMKSNWRMJFG-NUOKVZHRSA-N
HMDB49257,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,30,33,38,41,54H,4-6,8-9,11-15,17-18,22,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,33-30-,41-38-/t54-/m0/s1",COUOXLHOVKDITE,UFWGODMKSA,N,"TG(18:1(11Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",COUOXLHOVKDITE-UFWGODMKSA-N
HMDB49258,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,35,37,56H,4-6,8-9,11-15,17-18,22,26,28,31-34,36,38-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,37-35-/t56-/m0/s1",IJAIJDVUAAABLS,MIVZQROMSA,N,"TG(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IJAIJDVUAAABLS-MIVZQROMSA-N
HMDB49259,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,35,37,43,46,56H,4-6,8-9,11-15,17-18,22,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,37-35-,46-43-/t56-/m0/s1",BQCHSPSGGJOVSR,LSAIJSHYSA,N,"TG(18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BQCHSPSGGJOVSR-LSAIJSHYSA-N
HMDB49260,844.788376449,C55H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,53H,4-19,22,25-52H2,1-3H3/b23-20-,24-21-/t53-/m1/s1",BYOQFTDTQITWRX,ZCBSGMBASA,N,TG(18:1(11Z)/16:1(9Z)/o-18:0),BYOQFTDTQITWRX-ZCBSGMBASA-N
HMDB49261,884.78329106,C57H104O6,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,54H,4-18,25-53H2,1-3H3/b22-19-,23-20-,24-21-",JSSROPRCXOAGCW,BUTYCLJRSA,N,TG(18:1(11Z)/18:1(11Z)/18:1(11Z)),JSSROPRCXOAGCW-BUTYCLJRSA-N
HMDB49262,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,21-22,24,26,29,54H,4-18,20,23,25,27-28,30-53H2,1-3H3/b22-19-,24-21-,29-26-/t54-/m0/s1",MIZFXTLHUPLNGP,OGZJHMPXSA,N,TG(18:1(11Z)/18:1(11Z)/18:1(9Z)),MIZFXTLHUPLNGP-OGZJHMPXSA-N
HMDB49263,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20-21,23-25,28,56H,4-19,22,26-27,29-55H2,1-3H3/b23-20-,24-21-,28-25-/t56-/m0/s1",DVVVWSWPMOHCJM,JGQQAENPSA,N,TG(18:1(11Z)/18:1(11Z)/20:1(11Z)),DVVVWSWPMOHCJM-JGQQAENPSA-N
HMDB49264,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20-21,23-25,28,32,34,40,43,56H,4-19,22,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b23-20-,24-21-,28-25-,34-32-,43-40-/t56-/m0/s1",QFJDVZUJUIABAM,FBOCXAGZSA,N,"TG(18:1(11Z)/18:1(11Z)/20:3(5Z,8Z,11Z))",QFJDVZUJUIABAM-FBOCXAGZSA-N
HMDB49265,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20-21,23-25,28,58H,4-19,22,26-27,29-57H2,1-3H3/b23-20-,24-21-,28-25-/t58-/m0/s1",PBUZOPDSPGPOQS,GQUABPRLSA,N,TG(18:1(11Z)/18:1(11Z)/22:1(13Z)),PBUZOPDSPGPOQS-GQUABPRLSA-N
HMDB49266,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h20-21,23-25,28,60H,4-19,22,26-27,29-59H2,1-3H3/b23-20-,24-21-,28-25-/t60-/m0/s1",CPMVPDLVOWSSKE,WGLLDAOBSA,N,TG(18:1(11Z)/18:1(11Z)/24:1(15Z)),CPMVPDLVOWSSKE-WGLLDAOBSA-N
HMDB49267,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,54H,4-15,17-18,22,26-27,29-53H2,1-3H3/b19-16-,23-20-,24-21-,28-25-/t54-/m1/s1",WYYFGQDJMAHICF,UHUUDVPASA,N,"TG(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))",WYYFGQDJMAHICF-UHUUDVPASA-N
HMDB49268,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,34,37,54H,4-15,17-18,22,26-27,29-33,35-36,38-53H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,37-34-/t54-/m1/s1",FZUGYVDDNAJZLF,MVORAUPMSA,N,"TG(18:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))",FZUGYVDDNAJZLF-MVORAUPMSA-N
HMDB49269,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,56H,4-15,17-18,22,26-27,29-55H2,1-3H3/b19-16-,23-20-,24-21-,28-25-/t56-/m0/s1",YYLWOHSMTQQTBX,LHSHQTBXSA,N,TG(18:1(11Z)/18:1(11Z)/20:2n6),YYLWOHSMTQQTBX-LHSHQTBXSA-N
HMDB49270,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,32,34,56H,4-15,17-18,22,26-27,29-31,33,35-55H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,34-32-/t56-/m0/s1",UNMPWHPUOWBGKK,HVFAGWHHSA,N,TG(18:1(11Z)/18:1(11Z)/20:3n6),UNMPWHPUOWBGKK-HVFAGWHHSA-N
HMDB49271,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,32,34,40,43,56H,4-15,17-18,22,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,34-32-,43-40-/t56-/m0/s1",SSSYEBQOMVLJEC,DQGBLZMWSA,N,"TG(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",SSSYEBQOMVLJEC-DQGBLZMWSA-N
HMDB49272,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,58H,4-15,17-18,22,26-27,29-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-/t58-/m0/s1",CESSZFUPJUMNNU,LENAZKICSA,N,"TG(18:1(11Z)/18:1(11Z)/22:2(13Z,16Z))",CESSZFUPJUMNNU-LENAZKICSA-N
HMDB49273,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,30-31,36,39,58H,4-15,17-18,22,26-27,29,32-35,37-38,40-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,31-30-,39-36-/t58-/m0/s1",VUMSTUYHTMFFDH,ZOXITZGDSA,N,"TG(18:1(11Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",VUMSTUYHTMFFDH-ZOXITZGDSA-N
HMDB49274,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,30-31,36,39,45,48,58H,4-15,17-18,22,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,31-30-,39-36-,48-45-/t58-/m0/s1",WNOPZYBXYDHLLO,RYNHJCOISA,N,"TG(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WNOPZYBXYDHLLO-RYNHJCOISA-N
HMDB49275,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,54H,4-6,8-9,11-15,17-18,22,26-27,29-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-/t54-/m1/s1",MWIGZNCBUJFLIL,DRSHPDLOSA,N,"TG(18:1(11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",MWIGZNCBUJFLIL-DRSHPDLOSA-N
HMDB49276,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,34,37,54H,4-6,8-9,11-15,17-18,22,26-27,29-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,37-34-/t54-/m1/s1",XYHJTSJWBAAGML,HJJKQNEUSA,N,"TG(18:1(11Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",XYHJTSJWBAAGML-HJJKQNEUSA-N
HMDB49277,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,32,34,56H,4-6,8-9,11-15,17-18,22,26-27,29-31,33,35-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,34-32-/t56-/m0/s1",JPWHOLFODHEQDC,BMZVEGDASA,N,"TG(18:1(11Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",JPWHOLFODHEQDC-BMZVEGDASA-N
HMDB49278,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,32,34,40,43,56H,4-6,8-9,11-15,17-18,22,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,34-32-,43-40-/t56-/m0/s1",HDYMVQPEOYPWHH,AJNBOMQTSA,N,"TG(18:1(11Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HDYMVQPEOYPWHH-AJNBOMQTSA-N
HMDB49279,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,30-31,36,39,58H,4-6,8-9,11-15,17-18,22,26-27,29,32-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,31-30-,39-36-/t58-/m0/s1",AANCKINPVVQDGX,OSUITXOZSA,N,"TG(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AANCKINPVVQDGX-OSUITXOZSA-N
HMDB49280,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,30-31,36,39,45,48,58H,4-6,8-9,11-15,17-18,22,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,31-30-,39-36-,48-45-/t58-/m0/s1",VULLTLRIKFDMHX,IPUZCYPISA,N,"TG(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VULLTLRIKFDMHX-IPUZCYPISA-N
HMDB49281,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,55H,4-19,22,25-54H2,1-3H3/b23-20-,24-21-/t55-/m1/s1",CLCQSBVFBLSNEE,HMVBVNKWSA,N,TG(18:1(11Z)/18:1(11Z)/o-18:0),CLCQSBVFBLSNEE-HMVBVNKWSA-N
HMDB49282,884.78329106,C57H104O6,CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,27,30,54H,4-18,21,24-26,28-29,31-53H2,1-3H3/b22-19-,23-20-,30-27-",DTTIGIZBXFQWNL,HWEFBQTHSA,N,TG(18:1(11Z)/18:1(9Z)/18:1(11Z)),DTTIGIZBXFQWNL-HWEFBQTHSA-N
HMDB49283,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,26-27,29-30,54H,4-18,20-21,23-25,28,31-53H2,1-3H3/b22-19-,29-26-,30-27-/t54-/m0/s1",JOURDTSYZKYHFB,VPQNIYBTSA,N,TG(18:1(11Z)/18:1(9Z)/18:1(9Z)),JOURDTSYZKYHFB-VPQNIYBTSA-N
HMDB49284,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,31,56H,4-19,21-22,24,26,29-30,32-55H2,1-3H3/b23-20-,28-25-,31-27-/t56-/m0/s1",IKJIWAALGJUTLA,HJLQGWHBSA,N,TG(18:1(11Z)/18:1(9Z)/20:1(11Z)),IKJIWAALGJUTLA-HJLQGWHBSA-N
HMDB49285,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,31-32,34,40,43,56H,4-19,21-22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b23-20-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",ACUILEZCTHOTES,DBIUBONGSA,N,"TG(18:1(11Z)/18:1(9Z)/20:3(5Z,8Z,11Z))",ACUILEZCTHOTES-DBIUBONGSA-N
HMDB49286,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,33,58H,4-19,21-22,24,26,29-32,34-57H2,1-3H3/b23-20-,28-25-,33-27-/t58-/m0/s1",QDMDGODCZNNQBV,VMPXLESRSA,N,TG(18:1(11Z)/18:1(9Z)/22:1(13Z)),QDMDGODCZNNQBV-VMPXLESRSA-N
HMDB49287,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,35,60H,4-19,21-22,24,26,29-34,36-59H2,1-3H3/b23-20-,28-25-,35-27-/t60-/m0/s1",CFASHVJHKJIKRY,RTBJBVGVSA,N,TG(18:1(11Z)/18:1(9Z)/24:1(15Z)),CFASHVJHKJIKRY-RTBJBVGVSA-N
HMDB49288,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30,54H,4-15,17-18,21-22,24,26,29,31-53H2,1-3H3/b19-16-,23-20-,28-25-,30-27-/t54-/m1/s1",RKPVLJWMLADBIO,GFLVZEJQSA,N,"TG(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))",RKPVLJWMLADBIO-GFLVZEJQSA-N
HMDB49289,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30,34,37,54H,4-15,17-18,21-22,24,26,29,31-33,35-36,38-53H2,1-3H3/b19-16-,23-20-,28-25-,30-27-,37-34-/t54-/m1/s1",APBGQGAQJLLFMC,TYRAJOABSA,N,"TG(18:1(11Z)/18:1(9Z)/18:3(6Z,9Z,12Z))",APBGQGAQJLLFMC-TYRAJOABSA-N
HMDB49290,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,31,56H,4-15,17-18,21-22,24,26,29-30,32-55H2,1-3H3/b19-16-,23-20-,28-25-,31-27-/t56-/m0/s1",SBZWLOYWFOOZOH,DYFADNBDSA,N,TG(18:1(11Z)/18:1(9Z)/20:2n6),SBZWLOYWFOOZOH-DYFADNBDSA-N
HMDB49291,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,31-32,34,56H,4-15,17-18,21-22,24,26,29-30,33,35-55H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,34-32-/t56-/m0/s1",XGAAPGRLRFXYTQ,VUJWJFLXSA,N,TG(18:1(11Z)/18:1(9Z)/20:3n6),XGAAPGRLRFXYTQ-VUJWJFLXSA-N
HMDB49292,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,31-32,34,40,43,56H,4-15,17-18,21-22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",CORHPKXWDCKHJW,DDFKOQTDSA,N,"TG(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",CORHPKXWDCKHJW-DDFKOQTDSA-N
HMDB49293,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,33,58H,4-15,17-18,21-22,24,26,29-32,34-57H2,1-3H3/b19-16-,23-20-,28-25-,33-27-/t58-/m0/s1",PQNHEABAEPMJMD,OKIOPPKUSA,N,"TG(18:1(11Z)/18:1(9Z)/22:2(13Z,16Z))",PQNHEABAEPMJMD-OKIOPPKUSA-N
HMDB49294,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,33,36,39,58H,4-15,17-18,21-22,24,26,29,32,34-35,37-38,40-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,33-27-,39-36-/t58-/m0/s1",NVHZAUOTNHDJSP,ZIIZOFDTSA,N,"TG(18:1(11Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",NVHZAUOTNHDJSP-ZIIZOFDTSA-N
HMDB49295,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,33,36,39,45,48,58H,4-15,17-18,21-22,24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1",JOFRYUHNYIFSQJ,QMUWYRPASA,N,"TG(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JOFRYUHNYIFSQJ-QMUWYRPASA-N
HMDB49296,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30,54H,4-6,8-9,11-15,17-18,21-22,24,26,29,31-53H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,30-27-/t54-/m1/s1",YWOLEUFHHASIAX,SQLBINDESA,N,"TG(18:1(11Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",YWOLEUFHHASIAX-SQLBINDESA-N
HMDB49297,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30,34,37,54H,4-6,8-9,11-15,17-18,21-22,24,26,29,31-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,30-27-,37-34-/t54-/m1/s1",WFDUCJMTBMXGOZ,LLMPFGDMSA,N,"TG(18:1(11Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",WFDUCJMTBMXGOZ-LLMPFGDMSA-N
HMDB49298,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,31-32,34,56H,4-6,8-9,11-15,17-18,21-22,24,26,29-30,33,35-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,34-32-/t56-/m0/s1",KKZJPWLFSPBPEY,CWOSWDHHSA,N,"TG(18:1(11Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",KKZJPWLFSPBPEY-CWOSWDHHSA-N
HMDB49299,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,31-32,34,40,43,56H,4-6,8-9,11-15,17-18,21-22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",XKGKPHGAVQGPRL,ZIWGJVESSA,N,"TG(18:1(11Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XKGKPHGAVQGPRL-ZIWGJVESSA-N
HMDB49300,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,33,36,39,58H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,33-27-,39-36-/t58-/m0/s1",RNJRGEGBOMDATQ,YMPOKHASSA,N,"TG(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RNJRGEGBOMDATQ-YMPOKHASSA-N
HMDB49301,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,33,36,39,45,48,58H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1",CIERBBGEGREXQR,NYNUNTORSA,N,"TG(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CIERBBGEGREXQR-NYNUNTORSA-N
HMDB49302,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,27,30,55H,4-19,21-22,24-26,28-29,31-54H2,1-3H3/b23-20-,30-27-/t55-/m1/s1",MUVVSXKCOYPIJY,BAYWWFOLSA,N,TG(18:1(11Z)/18:1(9Z)/o-18:0),MUVVSXKCOYPIJY-BAYWWFOLSA-N
HMDB49303,912.814591188,C59H108O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20-21,23-25,28,56H,4-19,22,26-27,29-55H2,1-3H3/b23-20-,24-21-,28-25-",MBJRQXCNIPFXAS,ANKPWZAQSA,N,TG(18:1(11Z)/20:1(11Z)/18:1(11Z)),MBJRQXCNIPFXAS-ANKPWZAQSA-N
HMDB49304,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,27-28,31,56H,4-19,21-22,24,26,29-30,32-55H2,1-3H3/b23-20-,28-25-,31-27-/t56-/m0/s1",BMHOVOJAMUORMV,HJLQGWHBSA,N,TG(18:1(11Z)/20:1(11Z)/18:1(9Z)),BMHOVOJAMUORMV-HJLQGWHBSA-N
HMDB49305,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,58H,4-20,22-23,27,30-57H2,1-3H3/b24-21-,28-25-,29-26-/t58-/m0/s1",FTPZUXAMLKYSRC,HDSWPUJOSA,N,TG(18:1(11Z)/20:1(11Z)/20:1(11Z)),FTPZUXAMLKYSRC-HDSWPUJOSA-N
HMDB49306,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,33,36,42,45,58H,4-20,22-23,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b24-21-,28-25-,29-26-,36-33-,45-42-/t58-/m0/s1",RRENYOLSBONAON,YGMLNZDCSA,N,"TG(18:1(11Z)/20:1(11Z)/20:3(5Z,8Z,11Z))",RRENYOLSBONAON-YGMLNZDCSA-N
HMDB49307,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,60H,4-20,22-23,27,30-59H2,1-3H3/b24-21-,28-25-,29-26-/t60-/m0/s1",NMGROZCBZQQOSP,UBYAYVOWSA,N,TG(18:1(11Z)/20:1(11Z)/22:1(13Z)),NMGROZCBZQQOSP-UBYAYVOWSA-N
HMDB49308,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,62H,4-20,22-23,27,30-61H2,1-3H3/b24-21-,28-25-,29-26-/t62-/m0/s1",BVPGCZVIRYYDDV,BKXXLPPVSA,N,TG(18:1(11Z)/20:1(11Z)/24:1(15Z)),BVPGCZVIRYYDDV-BKXXLPPVSA-N
HMDB49309,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,30,56H,4-16,18-19,22-23,27,29,31-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-/t56-/m1/s1",NXFGQNNZXCDQOA,AYEWUODQSA,N,"TG(18:1(11Z)/20:1(11Z)/18:2(9Z,12Z))",NXFGQNNZXCDQOA-AYEWUODQSA-N
HMDB49310,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,30,36,39,56H,4-16,18-19,22-23,27,29,31-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,39-36-/t56-/m1/s1",XHPSKDUDRFCQES,WNFSKLBWSA,N,"TG(18:1(11Z)/20:1(11Z)/18:3(6Z,9Z,12Z))",XHPSKDUDRFCQES-WNFSKLBWSA-N
HMDB49311,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,58H,4-15,17-18,20,22-23,27,30-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-/t58-/m0/s1",BZHLYVKHDLPQFD,VDDAXEPZSA,N,TG(18:1(11Z)/20:1(11Z)/20:2n6),BZHLYVKHDLPQFD-VDDAXEPZSA-N
HMDB49312,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,36,58H,4-15,17-18,20,22-23,27,30-32,34-35,37-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,36-33-/t58-/m0/s1",IVFRWSDYROEBFL,UFAJVTJISA,N,TG(18:1(11Z)/20:1(11Z)/20:3n6),IVFRWSDYROEBFL-UFAJVTJISA-N
HMDB49313,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,36,42,45,58H,4-15,17-18,20,22-23,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,36-33-,45-42-/t58-/m0/s1",JFUJZLFUTYADKX,OBYFKFBLSA,N,"TG(18:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",JFUJZLFUTYADKX-OBYFKFBLSA-N
HMDB49314,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,60H,4-15,17-18,20,22-23,27,30-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-/t60-/m0/s1",FWPCKKOAEAIPKJ,RLLXGZCISA,N,"TG(18:1(11Z)/20:1(11Z)/22:2(13Z,16Z))",FWPCKKOAEAIPKJ-RLLXGZCISA-N
HMDB49315,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,38,41,60H,4-15,17-18,20,22-23,27,30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",MNFJIZPZFDFSHT,IZQQJYTASA,N,"TG(18:1(11Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",MNFJIZPZFDFSHT-IZQQJYTASA-N
HMDB49316,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,41-38-,50-47-/t60-/m0/s1",FCEMBWZRDLGGMB,UVOVYMOUSA,N,"TG(18:1(11Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FCEMBWZRDLGGMB-UVOVYMOUSA-N
HMDB49317,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,30,56H,4-7,9-10,12-16,18-19,22-23,27,29,31-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-/t56-/m1/s1",HCMKESWEYLSYSH,XNENXHFMSA,N,"TG(18:1(11Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",HCMKESWEYLSYSH-XNENXHFMSA-N
HMDB49318,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,30,36,39,56H,4-7,9-10,12-16,18-19,22-23,27,29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,39-36-/t56-/m1/s1",FYDKEQBFVKMQHF,AYOJUTMSSA,N,"TG(18:1(11Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",FYDKEQBFVKMQHF-AYOJUTMSSA-N
HMDB49319,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,36,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34-35,37-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,36-33-/t58-/m0/s1",PGHXXSRFZVCHLH,BHXQEWCRSA,N,"TG(18:1(11Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",PGHXXSRFZVCHLH-BHXQEWCRSA-N
HMDB49320,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,36,42,45,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,36-33-,45-42-/t58-/m0/s1",JVHJUJLLSIEMCN,TURLLROSSA,N,"TG(18:1(11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JVHJUJLLSIEMCN-TURLLROSSA-N
HMDB49321,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",CECNUPKZMCTPFD,GOQTZBNISA,N,"TG(18:1(11Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CECNUPKZMCTPFD-GOQTZBNISA-N
HMDB49322,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,41-38-,50-47-/t60-/m0/s1",GSHKNZZOMWCMJO,NAIBVRFTSA,N,"TG(18:1(11Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GSHKNZZOMWCMJO-NAIBVRFTSA-N
HMDB49323,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,57H,4-20,22-23,26-27,29-56H2,1-3H3/b24-21-,28-25-/t57-/m1/s1",LMFJKPBELSZHCE,BMOJGYJNSA,N,TG(18:1(11Z)/20:1(11Z)/o-18:0),LMFJKPBELSZHCE-BMOJGYJNSA-N
HMDB49324,908.78329106,C59H104O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20-21,23-25,28,32,35,41,44,56H,4-19,22,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b23-20-,24-21-,28-25-,35-32-,44-41-",CYJBPAJEPWJTFB,NLODPJCGSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:1(11Z))",CYJBPAJEPWJTFB-NLODPJCGSA-N
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HMDB49327,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-20,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",CZPGJVAVLNKDDQ,SKHVQKPFSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",CZPGJVAVLNKDDQ-SKHVQKPFSA-N
HMDB49328,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,36,39,45,48,60H,4-20,22-23,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b24-21-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1",NZLWAKCEBADZQI,LGFMCLGJSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:1(13Z))",NZLWAKCEBADZQI-LGFMCLGJSA-N
HMDB49329,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,38,41,47,50,62H,4-20,22-23,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b24-21-,28-25-,29-26-,41-38-,50-47-/t62-/m0/s1",LGCNKPBQFMXPJK,FGBPJPBKSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/24:1(15Z))",LGCNKPBQFMXPJK-FGBPJPBKSA-N
HMDB49330,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,30,32,35,41,44,56H,4-16,18-19,22-23,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",OOFXDORNCJRLJB,WZAGRWCGSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",OOFXDORNCJRLJB-WZAGRWCGSA-N
HMDB49331,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,30,32,35-36,39,41,44,56H,4-16,18-19,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1",CXHJGLDPPJIRHL,RRIBEXPGSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",CXHJGLDPPJIRHL-RRIBEXPGSA-N
HMDB49332,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,34,37,43,46,58H,4-15,17-18,20,22-23,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,37-34-,46-43-/t58-/m0/s1",FEPCBYKCUBVNHI,MAFAEYPPSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:2n6)",FEPCBYKCUBVNHI-MAFAEYPPSA-N
HMDB49333,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33-34,36-37,43,46,58H,4-15,17-18,20,22-23,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,36-33-,37-34-,46-43-/t58-/m0/s1",NOKMPTCQHIMWGP,IDFSSUQUSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6)",NOKMPTCQHIMWGP-IDFSSUQUSA-N
HMDB49334,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-15,17-18,20,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",UMIOJAZEJAXFCD,VFGUAGDCSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",UMIOJAZEJAXFCD-VFGUAGDCSA-N
HMDB49335,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,36,39,45,48,60H,4-15,17-18,20,22-23,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1",WODOUFGUYBJSCG,HFMIBNQHSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",WODOUFGUYBJSCG-HFMIBNQHSA-N
HMDB49336,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,36,38-39,41,45,48,60H,4-15,17-18,20,22-23,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1",VHPUITUUEXRCGU,QKFSVKKZSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",VHPUITUUEXRCGU-QKFSVKKZSA-N
HMDB49337,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-15,17-18,20,22-23,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",JQVMDWCSJIMBFA,WQDRWNKCSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JQVMDWCSJIMBFA-WQDRWNKCSA-N
HMDB49338,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,30,32,35,41,44,56H,4-7,9-10,12-16,18-19,22-23,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",KNZFIELPYUZSKV,GUVQBMSESA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",KNZFIELPYUZSKV-GUVQBMSESA-N
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HMDB49340,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33-34,36-37,43,46,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,36-33-,37-34-,46-43-/t58-/m0/s1",RVFBIGLLXIOSJT,RXSQZQNUSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",RVFBIGLLXIOSJT-RXSQZQNUSA-N
HMDB49341,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",UPHJDUYXKJVNDG,YGNBBNLISA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",UPHJDUYXKJVNDG-YGNBBNLISA-N
HMDB49342,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1",IGHPWMZALJOYAV,JFJJIJHHSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IGHPWMZALJOYAV-JFJJIJHHSA-N
HMDB49343,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",CRAIJEBCCMKULT,HPZSSEKQSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CRAIJEBCCMKULT-HPZSSEKQSA-N
HMDB49344,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,32,35,41,44,57H,4-20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b24-21-,28-25-,35-32-,44-41-/t57-/m1/s1",YEBOXBMRTVYVEC,JVCHJXALSA,N,"TG(18:1(11Z)/20:3(5Z,8Z,11Z)/o-18:0)",YEBOXBMRTVYVEC-JVCHJXALSA-N
HMDB49345,940.845891316,C61H112O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20-21,23-25,28,58H,4-19,22,26-27,29-57H2,1-3H3/b23-20-,24-21-,28-25-",RSYHUYFRXBMMEW,ANKPWZAQSA,N,TG(18:1(11Z)/22:1(13Z)/18:1(11Z)),RSYHUYFRXBMMEW-ANKPWZAQSA-N
HMDB49346,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20,23,25,27-28,33,58H,4-19,21-22,24,26,29-32,34-57H2,1-3H3/b23-20-,28-25-,33-27-/t58-/m0/s1",GXHRHWLAWLLOCF,VMPXLESRSA,N,TG(18:1(11Z)/22:1(13Z)/18:1(9Z)),GXHRHWLAWLLOCF-VMPXLESRSA-N
HMDB49347,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,60H,4-20,22-23,27,30-59H2,1-3H3/b24-21-,28-25-,29-26-/t60-/m0/s1",NMJIAWZBGZFPMZ,UBYAYVOWSA,N,TG(18:1(11Z)/22:1(13Z)/20:1(11Z)),NMJIAWZBGZFPMZ-UBYAYVOWSA-N
HMDB49348,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,35,38,44,47,60H,4-20,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b24-21-,28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",BUVNBWSDDBJEIH,VCDULOKCSA,N,"TG(18:1(11Z)/22:1(13Z)/20:3(5Z,8Z,11Z))",BUVNBWSDDBJEIH-VCDULOKCSA-N
HMDB49349,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,62H,4-20,22-23,27,30-61H2,1-3H3/b24-21-,28-25-,29-26-/t62-/m0/s1",VBUKYICYIZQWKZ,BKXXLPPVSA,N,TG(18:1(11Z)/22:1(13Z)/22:1(13Z)),VBUKYICYIZQWKZ-BKXXLPPVSA-N
HMDB49350,1024.939791713,C67H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,64H,4-20,22-23,27,30-63H2,1-3H3/b24-21-,28-25-,29-26-/t64-/m0/s1",FVDGOUNRKPZWMI,QTDGRMPHSA,N,TG(18:1(11Z)/22:1(13Z)/24:1(15Z)),FVDGOUNRKPZWMI-QTDGRMPHSA-N
HMDB49351,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,32,58H,4-16,18-19,22-23,27,29-31,33-57H2,1-3H3/b20-17-,24-21-,28-25-,32-26-/t58-/m1/s1",XQLSSUQHKWUYMC,YZDRKDPZSA,N,"TG(18:1(11Z)/22:1(13Z)/18:2(9Z,12Z))",XQLSSUQHKWUYMC-YZDRKDPZSA-N
HMDB49352,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,32,38,41,58H,4-16,18-19,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,28-25-,32-26-,41-38-/t58-/m1/s1",ITOBFJWXPUZUFC,KMYHUXHLSA,N,"TG(18:1(11Z)/22:1(13Z)/18:3(6Z,9Z,12Z))",ITOBFJWXPUZUFC-KMYHUXHLSA-N
HMDB49353,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,60H,4-16,18-19,22-23,27,30-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-/t60-/m0/s1",DFPNCBSXNOPJHY,UAGWNSTESA,N,TG(18:1(11Z)/22:1(13Z)/20:2n6),DFPNCBSXNOPJHY-UAGWNSTESA-N
HMDB49354,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,35,38,60H,4-16,18-19,22-23,27,30-34,36-37,39-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,38-35-/t60-/m0/s1",MXNYWQGAKRABHA,KWEWDBRHSA,N,TG(18:1(11Z)/22:1(13Z)/20:3n6),MXNYWQGAKRABHA-KWEWDBRHSA-N
HMDB49355,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,35,38,44,47,60H,4-16,18-19,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",IBRKGGWUQIZSKI,PWRWVGHHSA,N,"TG(18:1(11Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",IBRKGGWUQIZSKI-PWRWVGHHSA-N
HMDB49356,994.89284152,C65H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,62H,4-15,17-18,20,22-23,27,30-61H2,1-3H3/b19-16-,24-21-,28-25-,29-26-/t62-/m0/s1",JSFUGIXHVBXNDX,OTWWDMOTSA,N,"TG(18:1(11Z)/22:1(13Z)/22:2(13Z,16Z))",JSFUGIXHVBXNDX-OTWWDMOTSA-N
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HMDB49358,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,32,34,40,43,49,52,62H,4-15,17-18,20,22-23,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,43-40-,52-49-/t62-/m0/s1",ABCDNHQIPBPGDZ,SRJHLFDZSA,N,"TG(18:1(11Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ABCDNHQIPBPGDZ-SRJHLFDZSA-N
HMDB49359,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,32,58H,4-7,9-10,12-16,18-19,22-23,27,29-31,33-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,32-26-/t58-/m1/s1",DWRJZEYYUMWSML,SMIIBKPVSA,N,"TG(18:1(11Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",DWRJZEYYUMWSML-SMIIBKPVSA-N
HMDB49360,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,32,38,41,58H,4-7,9-10,12-16,18-19,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,32-26-,41-38-/t58-/m1/s1",ZFHVAGHOCCYBTO,GXJYKIBRSA,N,"TG(18:1(11Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",ZFHVAGHOCCYBTO-GXJYKIBRSA-N
HMDB49361,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,35,38,60H,4-7,9-10,12-16,18-19,22-23,27,30-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,38-35-/t60-/m0/s1",DDZGDBPXBWPREM,OZLYPPMKSA,N,"TG(18:1(11Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",DDZGDBPXBWPREM-OZLYPPMKSA-N
HMDB49362,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,35,38,44,47,60H,4-7,9-10,12-16,18-19,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",KFUPWLMWLFWPQY,KDDLJNMQSA,N,"TG(18:1(11Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KFUPWLMWLFWPQY-KDDLJNMQSA-N
HMDB49363,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,32,34,40,43,62H,4-6,8-9,11-15,17-18,20,22-23,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,43-40-/t62-/m0/s1",ZXWQOHPLUUNMGS,QESNGLRSSA,N,"TG(18:1(11Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZXWQOHPLUUNMGS-QESNGLRSSA-N
HMDB49364,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,32,34,40,43,49,52,62H,4-6,8-9,11-15,17-18,20,22-23,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,43-40-,52-49-/t62-/m0/s1",VOHZMFRPEXCKBY,JKMYNLFVSA,N,"TG(18:1(11Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VOHZMFRPEXCKBY-JKMYNLFVSA-N
HMDB49365,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h21,24-25,28,59H,4-20,22-23,26-27,29-58H2,1-3H3/b24-21-,28-25-/t59-/m1/s1",ZNRJZRRGRJDRMD,QNSGHZAOSA,N,TG(18:1(11Z)/22:1(13Z)/o-18:0),ZNRJZRRGRJDRMD-QNSGHZAOSA-N
HMDB49366,968.877191444,C63H116O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h20-21,23-25,28,60H,4-19,22,26-27,29-59H2,1-3H3/b23-20-,24-21-,28-25-",JHWDCGVOVZRWAF,ANKPWZAQSA,N,TG(18:1(11Z)/24:1(15Z)/18:1(11Z)),JHWDCGVOVZRWAF-ANKPWZAQSA-N
HMDB49367,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h20,23,25,27-28,35,60H,4-19,21-22,24,26,29-34,36-59H2,1-3H3/b23-20-,28-25-,35-27-/t60-/m0/s1",NNCFNVDCMOKBFC,RTBJBVGVSA,N,TG(18:1(11Z)/24:1(15Z)/18:1(9Z)),NNCFNVDCMOKBFC-RTBJBVGVSA-N
HMDB49368,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,62H,4-20,22-23,27,30-61H2,1-3H3/b24-21-,28-25-,29-26-/t62-/m0/s1",KOJJIVGBTQBTLH,BKXXLPPVSA,N,TG(18:1(11Z)/24:1(15Z)/20:1(11Z)),KOJJIVGBTQBTLH-BKXXLPPVSA-N
HMDB49369,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,37,40,46,49,62H,4-20,22-23,27,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b24-21-,28-25-,29-26-,40-37-,49-46-/t62-/m0/s1",VXYTYFSQAJDXCX,AGPYKGBWSA,N,"TG(18:1(11Z)/24:1(15Z)/20:3(5Z,8Z,11Z))",VXYTYFSQAJDXCX-AGPYKGBWSA-N
HMDB49370,1024.939791713,C67H124O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,64H,4-20,22-23,27,30-63H2,1-3H3/b24-21-,28-25-,29-26-/t64-/m0/s1",LEHWUGLVGFMASF,QTDGRMPHSA,N,TG(18:1(11Z)/24:1(15Z)/22:1(13Z)),LEHWUGLVGFMASF-QTDGRMPHSA-N
HMDB49371,1052.971091842,C69H128O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,66H,4-20,22-23,27,30-65H2,1-3H3/b24-21-,28-25-,29-26-/t66-/m0/s1",CSKWIBVMFVPNTF,CJUWFFJSSA,N,TG(18:1(11Z)/24:1(15Z)/24:1(15Z)),CSKWIBVMFVPNTF-CJUWFFJSSA-N
HMDB49372,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,34,60H,4-16,18-19,22-23,27,29-33,35-59H2,1-3H3/b20-17-,24-21-,28-25-,34-26-/t60-/m1/s1",CFGOOLOMBIOEGG,DPJMPHFLSA,N,"TG(18:1(11Z)/24:1(15Z)/18:2(9Z,12Z))",CFGOOLOMBIOEGG-DPJMPHFLSA-N
HMDB49373,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,34,40,43,60H,4-16,18-19,22-23,27,29-33,35-39,41-42,44-59H2,1-3H3/b20-17-,24-21-,28-25-,34-26-,43-40-/t60-/m1/s1",NVTGKNBTUCFOOC,PUXYSJNBSA,N,"TG(18:1(11Z)/24:1(15Z)/18:3(6Z,9Z,12Z))",NVTGKNBTUCFOOC-PUXYSJNBSA-N
HMDB49374,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,62H,4-16,18-19,22-23,27,30-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-/t62-/m0/s1",FAXKHEOIESJCGX,PZISJSEPSA,N,TG(18:1(11Z)/24:1(15Z)/20:2n6),FAXKHEOIESJCGX-PZISJSEPSA-N
HMDB49375,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,37,40,62H,4-16,18-19,22-23,27,30-36,38-39,41-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,40-37-/t62-/m0/s1",UXVIROUGOSZMMB,GRDGKACZSA,N,TG(18:1(11Z)/24:1(15Z)/20:3n6),UXVIROUGOSZMMB-GRDGKACZSA-N
HMDB49376,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,37,40,46,49,62H,4-16,18-19,22-23,27,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,40-37-,49-46-/t62-/m0/s1",BQYJJPQVNVQUJI,QSUHZABXSA,N,"TG(18:1(11Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",BQYJJPQVNVQUJI-QSUHZABXSA-N
HMDB49377,1022.924141648,C67H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,64H,4-16,18-19,22-23,27,30-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-/t64-/m0/s1",OKBQXUDUJLSQMX,CQAIAKKASA,N,"TG(18:1(11Z)/24:1(15Z)/22:2(13Z,16Z))",OKBQXUDUJLSQMX-CQAIAKKASA-N
HMDB49378,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,36,42,45,64H,4-16,18-19,22-23,27,30-33,35,37-41,43-44,46-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-34-,45-42-/t64-/m0/s1",UVRONVZOSKLNOW,WWYXWQPKSA,N,"TG(18:1(11Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",UVRONVZOSKLNOW-WWYXWQPKSA-N
HMDB49379,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,36,42,45,51,54,64H,4-16,18-19,22-23,27,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-34-,45-42-,54-51-/t64-/m0/s1",CMIDFDNOLMXIHU,OXLWCYALSA,N,"TG(18:1(11Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CMIDFDNOLMXIHU-OXLWCYALSA-N
HMDB49380,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,34,60H,4-7,9-10,12-16,18-19,22-23,27,29-33,35-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,34-26-/t60-/m1/s1",RERKVVZYIAVMKL,JVPAGSFPSA,N,"TG(18:1(11Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",RERKVVZYIAVMKL-JVPAGSFPSA-N
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HMDB49382,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,37,40,62H,4-7,9-10,12-16,18-19,22-23,27,30-36,38-39,41-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,40-37-/t62-/m0/s1",BKUMZVYLVUOUIT,SGUZHJABSA,N,"TG(18:1(11Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",BKUMZVYLVUOUIT-SGUZHJABSA-N
HMDB49383,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,37,40,46,49,62H,4-7,9-10,12-16,18-19,22-23,27,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,40-37-,49-46-/t62-/m0/s1",BUXAEGLCKWYQPV,YPGUAKPPSA,N,"TG(18:1(11Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BUXAEGLCKWYQPV-YPGUAKPPSA-N
HMDB49384,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,36,42,45,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35,37-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,45-42-/t64-/m0/s1",FOSLCEPYQFNLOF,NMKNSTAKSA,N,"TG(18:1(11Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FOSLCEPYQFNLOF-NMKNSTAKSA-N
HMDB49385,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,36,42,45,51,54,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,45-42-,54-51-/t64-/m0/s1",AJAANHLNDFNOLC,XUWBGAKNSA,N,"TG(18:1(11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AJAANHLNDFNOLC-XUWBGAKNSA-N
HMDB49386,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h21,24-25,28,61H,4-20,22-23,26-27,29-60H2,1-3H3/b24-21-,28-25-/t61-/m1/s1",PMFLTJZDQUHUAB,CNKHIDIQSA,N,TG(18:1(11Z)/24:1(15Z)/o-18:0),PMFLTJZDQUHUAB-CNKHIDIQSA-N
HMDB49387,882.767641004,C57H102O6,[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-23,27,30,54H,4-17,24-26,28-29,31-53H2,1-3H3/b21-18-,22-19-,23-20-,30-27-",WQAWIGRUXVAAIX,KGDSFANMSA,N,"TG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))",WQAWIGRUXVAAIX-KGDSFANMSA-N
HMDB49388,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-19,21-22,26-27,29-30,54H,4-17,20,23-25,28,31-53H2,1-3H3/b21-18-,22-19-,29-26-,30-27-/t54-/m0/s1",UKJDYVVYSNHIJH,DHRQPHFCSA,N,"TG(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))",UKJDYVVYSNHIJH-DHRQPHFCSA-N
HMDB49389,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,31,56H,4-17,19,22,24,26,29-30,32-55H2,1-3H3/b21-18-,23-20-,28-25-,31-27-/t56-/m0/s1",GLMVCLWSBJJWTR,FZTGDDQJSA,N,"TG(18:1(11Z)/18:2(9Z,12Z)/20:1(11Z))",GLMVCLWSBJJWTR-FZTGDDQJSA-N
HMDB49390,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,31-32,34,40,43,56H,4-17,19,22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b21-18-,23-20-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",QTAGXPNXYRUHPQ,OBQYJQOKSA,N,"TG(18:1(11Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",QTAGXPNXYRUHPQ-OBQYJQOKSA-N
HMDB49391,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,33,58H,4-17,19,22,24,26,29-32,34-57H2,1-3H3/b21-18-,23-20-,28-25-,33-27-/t58-/m0/s1",ODZGUPAQUQGEKA,MJECLYFESA,N,"TG(18:1(11Z)/18:2(9Z,12Z)/22:1(13Z))",ODZGUPAQUQGEKA-MJECLYFESA-N
HMDB49392,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,35,60H,4-17,19,22,24,26,29-34,36-59H2,1-3H3/b21-18-,23-20-,28-25-,35-27-/t60-/m0/s1",RVZCIRATOLVRIA,MTSJKGKGSA,N,"TG(18:1(11Z)/18:2(9Z,12Z)/24:1(15Z))",RVZCIRATOLVRIA-MTSJKGKGSA-N
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HMDB49411,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,31-32,34,38,40-41,43,56H,4-17,19,22,24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b21-18-,23-20-,28-25-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",HXPPLQMXWOKRDY,OQYWIHSWSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",HXPPLQMXWOKRDY-OQYWIHSWSA-N
HMDB49412,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,33,40,43,58H,4-17,19,22,24,26,29-32,34-39,41-42,44-57H2,1-3H3/b21-18-,23-20-,28-25-,33-27-,43-40-/t58-/m0/s1",SKZXADYMSZWYJC,WXIZJURISA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:1(13Z))",SKZXADYMSZWYJC-WXIZJURISA-N
HMDB49413,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,35,42,45,60H,4-17,19,22,24,26,29-34,36-41,43-44,46-59H2,1-3H3/b21-18-,23-20-,28-25-,35-27-,45-42-/t60-/m0/s1",CIQHDYHPBGLGRY,OWUYJZTJSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/24:1(15Z))",CIQHDYHPBGLGRY-OWUYJZTJSA-N
HMDB49414,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,30,36,39,54H,4-15,17,22,24,26,29,31-35,37-38,40-53H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,30-27-,39-36-/t54-/m1/s1",RVKUSYRFVUNUQD,QTTSSNITSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",RVKUSYRFVUNUQD-QTTSSNITSA-N
HMDB49415,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,30,34,36-37,39,54H,4-15,17,22,24,26,29,31-33,35,38,40-53H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,30-27-,37-34-,39-36-/t54-/m1/s1",QTPFTKWHDVEZFI,XUZVMAHSSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",QTPFTKWHDVEZFI-XUZVMAHSSA-N
HMDB49416,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,31,38,41,56H,4-15,17,22,24,26,29-30,32-37,39-40,42-55H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-27-,41-38-/t56-/m0/s1",HZEPHCCZPCXNPB,KJVRDHGESA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:2n6)",HZEPHCCZPCXNPB-KJVRDHGESA-N
HMDB49417,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,31-32,34,38,41,56H,4-15,17,22,24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-/t56-/m0/s1",UVQUJLFVFOSUGF,CZWNAIKMSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:3n6)",UVQUJLFVFOSUGF-CZWNAIKMSA-N
HMDB49418,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,31-32,34,38,40-41,43,56H,4-15,17,22,24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",DOKXZNUBICEQPY,GLNZTCTFSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",DOKXZNUBICEQPY-GLNZTCTFSA-N
HMDB49419,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,33,40,43,58H,4-15,17,22,24,26,29-32,34-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,33-27-,43-40-/t58-/m0/s1",IOVOBDOPXGRZFM,POUGXFNLSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",IOVOBDOPXGRZFM-POUGXFNLSA-N
HMDB49420,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,30-31,33,36,39-40,43,58H,4-15,17,22,24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-/t58-/m0/s1",INIDRZRLKSGDIX,XFZKTUIJSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",INIDRZRLKSGDIX-XFZKTUIJSA-N
HMDB49421,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-15,17,22,24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-/t58-/m0/s1",HWORKLAKEUNQTL,GIRVEJMTSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HWORKLAKEUNQTL-GIRVEJMTSA-N
HMDB49422,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,30,36,39,54H,4-6,8-9,11-15,17,22,24,26,29,31-35,37-38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,30-27-,39-36-/t54-/m1/s1",ZOSBVOVAWIJMJL,BCWMSMSFSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",ZOSBVOVAWIJMJL-BCWMSMSFSA-N
HMDB49423,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,30,34,36-37,39,54H,4-6,8-9,11-15,17,22,24,26,29,31-33,35,38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,30-27-,37-34-,39-36-/t54-/m1/s1",HBKNYJHYBZJWTQ,DZPUQUPHSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",HBKNYJHYBZJWTQ-DZPUQUPHSA-N
HMDB49424,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,31-32,34,38,41,56H,4-6,8-9,11-15,17,22,24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-/t56-/m0/s1",JTTRWXHDGWBZDH,AGOSBYESSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",JTTRWXHDGWBZDH-AGOSBYESSA-N
HMDB49425,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,31-32,34,38,40-41,43,56H,4-6,8-9,11-15,17,22,24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",DTSVNYMUJNAOOU,CPUTZPKCSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",DTSVNYMUJNAOOU-CPUTZPKCSA-N
HMDB49426,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,30-31,33,36,39-40,43,58H,4-6,8-9,11-15,17,22,24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-/t58-/m0/s1",ITVSVOVZCSVMET,WQATWLRPSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ITVSVOVZCSVMET-WQATWLRPSA-N
HMDB49427,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-6,8-9,11-15,17,22,24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-/t58-/m0/s1",MYFPVYOBNSJGAX,JMKXEMRDSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MYFPVYOBNSJGAX-JMKXEMRDSA-N
HMDB49428,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,30,36,39,55H,4-17,19,22,24-26,28-29,31-35,37-38,40-54H2,1-3H3/b21-18-,23-20-,30-27-,39-36-/t55-/m1/s1",JSUSEOMHUNJYLL,UQQXENLJSA,N,"TG(18:1(11Z)/18:3(6Z,9Z,12Z)/o-18:0)",JSUSEOMHUNJYLL-UQQXENLJSA-N
HMDB49429,910.798941133,C59H106O6,[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28,56H,4-15,17-18,22,26-27,29-55H2,1-3H3/b19-16-,23-20-,24-21-,28-25-",QJDLSPDZKGSMMR,UYTRXKGHSA,N,TG(18:1(11Z)/20:2n6/18:1(11Z)),QJDLSPDZKGSMMR-UYTRXKGHSA-N
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HMDB49465,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30,32,35-36,39,56H,4-7,9-10,12-15,18,22-23,27,29,31,33-34,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-/t56-/m1/s1",ZGRMCMUYTZPEPX,CFNLVNHGSA,N,"TG(18:1(11Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))",ZGRMCMUYTZPEPX-CFNLVNHGSA-N
HMDB49466,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-34,36-37,58H,4-6,8-9,11-15,18,22-23,27,30-32,35,38-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-/t58-/m0/s1",JAHHSESDGJHREG,HPNUPCKSSA,N,"TG(18:1(11Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))",JAHHSESDGJHREG-HPNUPCKSSA-N
HMDB49467,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-34,36-37,42,45,58H,4-6,8-9,11-15,18,22-23,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-/t58-/m0/s1",UKOITEDWTGPNKG,BQSGBPLCSA,N,"TG(18:1(11Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",UKOITEDWTGPNKG-BQSGBPLCSA-N
HMDB49468,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,36,38-39,41,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-35,37,40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-/t60-/m0/s1",NYIPWEDEDCENLJ,PMZJQWIUSA,N,"TG(18:1(11Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",NYIPWEDEDCENLJ-PMZJQWIUSA-N
HMDB49469,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,36,38-39,41,47,50,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-/t60-/m0/s1",FDBPCQBWBNZEDW,BQPYFUBOSA,N,"TG(18:1(11Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FDBPCQBWBNZEDW-BQPYFUBOSA-N
HMDB49470,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,35,57H,4-15,17-18,20,22-23,26-27,29-31,33-34,36-56H2,1-3H3/b19-16-,24-21-,28-25-,35-32-/t57-/m1/s1",VUOWRRFGIAUKGG,NOOPOUQWSA,N,TG(18:1(11Z)/20:3n6/o-18:0),VUOWRRFGIAUKGG-NOOPOUQWSA-N
HMDB49471,906.767640996,C59H102O6,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28,32,35,41,44,56H,4-15,17-18,22,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,35-32-,44-41-",JWKIOCAGMXIBPO,AMKGEOQHSA,N,"TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",JWKIOCAGMXIBPO-AMKGEOQHSA-N
HMDB49472,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,27-28,31-32,35,41,44,56H,4-15,17-18,21-22,24,26,29-30,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,35-32-,44-41-/t56-/m0/s1",GVQATXOWDPMSLN,YTAJIUIQSA,N,"TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",GVQATXOWDPMSLN-YTAJIUIQSA-N
HMDB49473,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,37,43,46,58H,4-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-34-,46-43-/t58-/m0/s1",QCPMHDYMPWISHS,JJGGAATDSA,N,"TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",QCPMHDYMPWISHS-JJGGAATDSA-N
HMDB49474,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-16,18-19,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",HZBATENFNSJQNF,JWOLQCQDSA,N,"TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",HZBATENFNSJQNF-JWOLQCQDSA-N
HMDB49475,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,36,39,45,48,60H,4-16,18-19,22-23,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1",XBGZGJVIPABSJH,WKCUXUPPSA,N,"TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",XBGZGJVIPABSJH-WKCUXUPPSA-N
HMDB49476,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,38,41,47,50,62H,4-16,18-19,22-23,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,41-38-,50-47-/t62-/m0/s1",NZRTUXZTTWOYKO,SAMLETOJSA,N,"TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",NZRTUXZTTWOYKO-SAMLETOJSA-N
HMDB49477,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,30,32,35,41,44,56H,4-15,18,22-23,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",VIWOIJPQBCUIFV,NYMUSAMUSA,N,"TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",VIWOIJPQBCUIFV-NYMUSAMUSA-N
HMDB49478,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,30,32,35-36,39,41,44,56H,4-15,18,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1",CDRXDTNYXFVRIK,YBOQDWKGSA,N,"TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",CDRXDTNYXFVRIK-YBOQDWKGSA-N
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HMDB49489,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1",XPRIEXJXLXJFEI,GPDKHWIOSA,N,"TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XPRIEXJXLXJFEI-GPDKHWIOSA-N
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HMDB49495,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,35,38,44,47,60H,4-15,17-18,20,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",FSUMMHYNEFRCKJ,RJATWLLBSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",FSUMMHYNEFRCKJ-RJATWLLBSA-N
HMDB49496,994.89284152,C65H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,62H,4-16,18-19,22-23,27,30-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-/t62-/m0/s1",OMTMOWCSMIGDMS,PZISJSEPSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/22:1(13Z))",OMTMOWCSMIGDMS-PZISJSEPSA-N
HMDB49497,1022.924141648,C67H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,64H,4-16,18-19,22-23,27,30-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-/t64-/m0/s1",AXAKDQXARYFEOH,CQAIAKKASA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/24:1(15Z))",AXAKDQXARYFEOH-CQAIAKKASA-N
HMDB49498,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,32,58H,4-15,18,22-23,27,29-31,33-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,32-26-/t58-/m1/s1",TWONNZSRAIJIHH,PCJBCEQGSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/18:2(9Z,12Z))",TWONNZSRAIJIHH-PCJBCEQGSA-N
HMDB49499,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,32,38,41,58H,4-15,18,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,32-26-,41-38-/t58-/m1/s1",MKSWKIHGOAPVMA,XFLXHZOCSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",MKSWKIHGOAPVMA-XFLXHZOCSA-N
HMDB49500,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,60H,4-15,18,22-23,27,30-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-/t60-/m0/s1",OYFSLUROHDMBJJ,DOYZNESKSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/20:2n6)",OYFSLUROHDMBJJ-DOYZNESKSA-N
HMDB49501,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,35,38,60H,4-15,18,22-23,27,30-34,36-37,39-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,38-35-/t60-/m0/s1",SRARWQZTRDRWIY,RLPWNCGFSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/20:3n6)",SRARWQZTRDRWIY-RLPWNCGFSA-N
HMDB49502,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,35,38,44,47,60H,4-15,18,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",MEKIQWLWSDXRMG,NACWFQGGSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",MEKIQWLWSDXRMG-NACWFQGGSA-N
HMDB49503,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,62H,4-15,18,22-23,27,30-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-/t62-/m0/s1",XTPYQMVIESCOTB,LRWNCOEHSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/22:2(13Z,16Z))",XTPYQMVIESCOTB-LRWNCOEHSA-N
HMDB49504,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32,34,40,43,62H,4-15,18,22-23,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,43-40-/t62-/m0/s1",IVPPFCQKYXCECF,FNGFPQFYSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",IVPPFCQKYXCECF-FNGFPQFYSA-N
HMDB49505,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32,34,40,43,49,52,62H,4-15,18,22-23,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,43-40-,52-49-/t62-/m0/s1",OETAHLCCOUYQGI,DBRMQBMISA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OETAHLCCOUYQGI-DBRMQBMISA-N
HMDB49506,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,32,58H,4-7,9-10,12-15,18,22-23,27,29-31,33-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,32-26-/t58-/m1/s1",BIIGCISQAOVLNH,SYOKYLLOSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",BIIGCISQAOVLNH-SYOKYLLOSA-N
HMDB49507,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,32,38,41,58H,4-7,9-10,12-15,18,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,32-26-,41-38-/t58-/m1/s1",HCPLABIWANVNFM,NRSOHTEKSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",HCPLABIWANVNFM-NRSOHTEKSA-N
HMDB49508,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,35,38,60H,4-7,9-10,12-15,18,22-23,27,30-34,36-37,39-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,38-35-/t60-/m0/s1",XBPAJTNSPXPLFO,VLMUHDQCSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",XBPAJTNSPXPLFO-VLMUHDQCSA-N
HMDB49509,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,35,38,44,47,60H,4-7,9-10,12-15,18,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,38-35-,47-44-/t60-/m0/s1",LQORAQJGEORWLS,MCWFOEECSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LQORAQJGEORWLS-MCWFOEECSA-N
HMDB49510,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32,34,40,43,62H,4-6,8-9,11-15,18,22-23,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,43-40-/t62-/m0/s1",NCRJNUINPRIYRD,HHPPXXJZSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NCRJNUINPRIYRD-HHPPXXJZSA-N
HMDB49511,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32,34,40,43,49,52,62H,4-6,8-9,11-15,18,22-23,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,43-40-,52-49-/t62-/m0/s1",AMHYCRCZDNGYOS,JRCLUHOYSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AMHYCRCZDNGYOS-JRCLUHOYSA-N
HMDB49512,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,59H,4-15,17-18,20,22-23,26-27,29-58H2,1-3H3/b19-16-,24-21-,28-25-/t59-/m1/s1",JLHHWPUYZJHBEJ,BHNDFJEDSA,N,"TG(18:1(11Z)/22:2(13Z,16Z)/o-18:0)",JLHHWPUYZJHBEJ-BHNDFJEDSA-N
HMDB49513,934.798941124,C61H106O6,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28,30-31,37,40,58H,4-15,17-18,22,26-27,29,32-36,38-39,41-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,31-30-,40-37-",NKROVKIAPHQPCO,ACJUFFBNSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))",NKROVKIAPHQPCO-ACJUFFBNSA-N
HMDB49514,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,27-28,30-31,33,37,40,58H,4-15,17-18,21-22,24,26,29,32,34-36,38-39,41-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,33-27-,40-37-/t58-/m0/s1",XNFVMWZYLUNASM,GVAIGBIESA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",XNFVMWZYLUNASM-GVAIGBIESA-N
HMDB49515,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,39,42,60H,4-15,17-18,20,22-23,27,30,32,34-38,40-41,43-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,42-39-/t60-/m0/s1",SYOMGTNMWHLBFV,NFUXPRKBSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",SYOMGTNMWHLBFV-NFUXPRKBSA-N
HMDB49516,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-15,17-18,20,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",UDICYIUJKLODAB,HBCWWQHQSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",UDICYIUJKLODAB-HBCWWQHQSA-N
HMDB49517,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,33,35,41,44,62H,4-16,18-19,22-23,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,35-33-,44-41-/t62-/m0/s1",QORVKEHNJXSTEO,YRIKDYJNSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",QORVKEHNJXSTEO-YRIKDYJNSA-N
HMDB49518,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,37,43,46,64H,4-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-34-,46-43-/t64-/m0/s1",JLDDCBGLJSLIRD,BBCUDREISA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",JLDDCBGLJSLIRD-BBCUDREISA-N
HMDB49519,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,30-32,37,40,58H,4-15,18,22-23,27,29,33-36,38-39,41-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-/t58-/m1/s1",SAUIACRZVWRWHQ,SARJOSACSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",SAUIACRZVWRWHQ-SARJOSACSA-N
HMDB49520,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,30-32,37-38,40-41,58H,4-15,18,22-23,27,29,33-36,39,42-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-/t58-/m1/s1",XIWHYLXOGMVISF,PTRJWBLOSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",XIWHYLXOGMVISF-PTRJWBLOSA-N
HMDB49521,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,39,42,60H,4-15,18,22-23,27,30,32,34-38,40-41,43-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,42-39-/t60-/m0/s1",JYWNRNFZDQPLQO,GSZNYRFRSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)",JYWNRNFZDQPLQO-GSZNYRFRSA-N
HMDB49522,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,38-39,42,60H,4-15,18,22-23,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-/t60-/m0/s1",IAFMACZCBGOYAR,SKZBEDAZSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)",IAFMACZCBGOYAR-SKZBEDAZSA-N
HMDB49523,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",IIUYJEVBYIQITA,NNUSJQSTSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",IIUYJEVBYIQITA-NNUSJQSTSA-N
HMDB49524,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33,35,41,44,62H,4-15,18,22-23,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-/t62-/m0/s1",OHBYEFVRKZXPKM,FEYGYFTHSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",OHBYEFVRKZXPKM-FEYGYFTHSA-N
HMDB49525,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,40-41,43-44,62H,4-15,18,22-23,27,30-31,36-39,42,45-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-/t62-/m0/s1",BVAWGINSTAACPW,XBZNWLLUSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",BVAWGINSTAACPW-XBZNWLLUSA-N
HMDB49526,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,40-41,43-44,49,52,62H,4-15,18,22-23,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-/t62-/m0/s1",ZHOOHHSHNCKYBS,DBPGNOOESA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZHOOHHSHNCKYBS-DBPGNOOESA-N
HMDB49527,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30-32,37,40,58H,4-7,9-10,12-15,18,22-23,27,29,33-36,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-/t58-/m1/s1",ZBBZPIOUDXSDPU,OIUPFQQDSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",ZBBZPIOUDXSDPU-OIUPFQQDSA-N
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HMDB49529,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-/t60-/m0/s1",UWOXYLRRGFBQMC,GBPORJMJSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",UWOXYLRRGFBQMC-GBPORJMJSA-N
HMDB49530,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",SBRTXDNWWVUJGY,GQYGFRRTSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SBRTXDNWWVUJGY-GQYGFRRTSA-N
HMDB49531,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,40-41,43-44,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-39,42,45-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-/t62-/m0/s1",VTOJMVBNYFDIKE,GTCMLRMZSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VTOJMVBNYFDIKE-GTCMLRMZSA-N
HMDB49532,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,40-41,43-44,49,52,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-/t62-/m0/s1",ZDZGRFOKLODFJJ,DTKSAECMSA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZDZGRFOKLODFJJ-DTKSAECMSA-N
HMDB49533,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,37,40,59H,4-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,40-37-/t59-/m1/s1",WXJWBNWMOKEKHM,KZJJSDTASA,N,"TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)",WXJWBNWMOKEKHM-KZJJSDTASA-N
HMDB49534,932.78329106,C61H104O6,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28,30-31,37,40,46,49,58H,4-15,17-18,22,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,31-30-,40-37-,49-46-",MARMEIRCQLHJGG,QHWYGHQASA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",MARMEIRCQLHJGG-QHWYGHQASA-N
HMDB49535,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,27-28,30-31,33,37,40,46,49,58H,4-15,17-18,21-22,24,26,29,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,33-27-,40-37-,49-46-/t58-/m0/s1",CXURBHQPIVEPSB,BDILDRQTSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",CXURBHQPIVEPSB-BDILDRQTSA-N
HMDB49536,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,39,42,48,51,60H,4-15,17-18,20,22-23,27,30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,42-39-,51-48-/t60-/m0/s1",SHZJHOMNSBWWNA,QSCSABHBSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",SHZJHOMNSBWWNA-QSCSABHBSA-N
HMDB49537,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-15,17-18,20,22-23,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",BJLRZHNJFQMOIR,NMCZSGHLSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",BJLRZHNJFQMOIR-NMCZSGHLSA-N
HMDB49538,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,33,35,41,44,50,53,62H,4-16,18-19,22-23,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,35-33-,44-41-,53-50-/t62-/m0/s1",BGKQVOVSHNCYPQ,LSZYJERYSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",BGKQVOVSHNCYPQ-LSZYJERYSA-N
HMDB49539,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,37,43,46,52,55,64H,4-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",VGIZRKUJSYVUPT,KZRYQTGUSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",VGIZRKUJSYVUPT-KZRYQTGUSA-N
HMDB49540,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,30-32,37,40,46,49,58H,4-15,18,22-23,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,49-46-/t58-/m1/s1",RIUYRQDPUYYQNQ,KNXPYCLQSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",RIUYRQDPUYYQNQ-KNXPYCLQSA-N
HMDB49541,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,30-32,37-38,40-41,46,49,58H,4-15,18,22-23,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-/t58-/m1/s1",PUEQGKQXEUOLOJ,RZNSNIPGSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",PUEQGKQXEUOLOJ-RZNSNIPGSA-N
HMDB49542,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,39,42,48,51,60H,4-15,18,22-23,27,30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,42-39-,51-48-/t60-/m0/s1",PFCDUEXIIFGNON,NMYFRQMXSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",PFCDUEXIIFGNON-NMYFRQMXSA-N
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HMDB49544,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",SPZFKKCPMIILSL,ZDCKVPJRSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",SPZFKKCPMIILSL-ZDCKVPJRSA-N
HMDB49545,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33,35,41,44,50,53,62H,4-15,18,22-23,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-,53-50-/t62-/m0/s1",KPWOAUUJFYPKIF,YKQKBDAISA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",KPWOAUUJFYPKIF-YKQKBDAISA-N
HMDB49546,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,40-41,43-44,50,53,62H,4-15,18,22-23,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-/t62-/m0/s1",XQXUGBKZHPKNGV,LUQUVMJCSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",XQXUGBKZHPKNGV-LUQUVMJCSA-N
HMDB49547,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-15,18,22-23,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",CPPRQORZWKTODT,LFQKTXPPSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CPPRQORZWKTODT-LFQKTXPPSA-N
HMDB49548,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30-32,37,40,46,49,58H,4-7,9-10,12-15,18,22-23,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,49-46-/t58-/m1/s1",NOJWTHBIOZZKTC,ISYVILFUSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",NOJWTHBIOZZKTC-ISYVILFUSA-N
HMDB49549,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30-32,37-38,40-41,46,49,58H,4-7,9-10,12-15,18,22-23,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-/t58-/m1/s1",QNLNVEYSOPGKRI,UQHKZVJTSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",QNLNVEYSOPGKRI-UQHKZVJTSA-N
HMDB49550,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,48,51,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-/t60-/m0/s1",GHZFGSBSLITSMO,NAGUGYBUSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",GHZFGSBSLITSMO-NAGUGYBUSA-N
HMDB49551,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",SAHJXIOVXNXTQL,UXKOHQIASA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SAHJXIOVXNXTQL-UXKOHQIASA-N
HMDB49552,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,40-41,43-44,50,53,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-/t62-/m0/s1",CRTLUTSDOWTFCK,QKDNGUHJSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CRTLUTSDOWTFCK-QKDNGUHJSA-N
HMDB49553,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",WMBVQZLMMZWHJG,CYMLIKQLSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WMBVQZLMMZWHJG-CYMLIKQLSA-N
HMDB49554,920.819676578,C61H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,37,40,46,49,59H,4-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,40-37-,49-46-/t59-/m1/s1",GUCTZNPBRCFYEQ,VGIAJVKVSA,N,"TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",GUCTZNPBRCFYEQ-VGIAJVKVSA-N
HMDB49555,880.751990932,C57H100O6,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-23,27,30,54H,4-8,10-11,13-17,24-26,28-29,31-53H2,1-3H3/b12-9-,21-18-,22-19-,23-20-,30-27-",YZOSLKYDCFWPCI,XWAWYEIZSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:1(11Z))",YZOSLKYDCFWPCI-XWAWYEIZSA-N
HMDB49556,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,26-27,29-30,54H,4-8,10-11,13-17,20,23-25,28,31-53H2,1-3H3/b12-9-,21-18-,22-19-,29-26-,30-27-/t54-/m0/s1",MRBGPFJGICLPKZ,HTUOTVJLSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:1(9Z))",MRBGPFJGICLPKZ-HTUOTVJLSA-N
HMDB49557,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,31,56H,4-8,10-11,13-17,19,22,24,26,29-30,32-55H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-/t56-/m0/s1",ZUFLSQLBJNRUCI,NSBGMQQNSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:1(11Z))",ZUFLSQLBJNRUCI-NSBGMQQNSA-N
HMDB49558,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,31-32,34,40,43,56H,4-8,10-11,13-17,19,22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",ZPTIOXNAYYQCNF,RPIAWBACSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",ZPTIOXNAYYQCNF-RPIAWBACSA-N
HMDB49559,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,33,58H,4-8,10-11,13-17,19,22,24,26,29-32,34-57H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,33-27-/t58-/m0/s1",MYUWGUAYSIGUGL,ONJQXTFNSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:1(13Z))",MYUWGUAYSIGUGL-ONJQXTFNSA-N
HMDB49560,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,35,60H,4-8,10-11,13-17,19,22,24,26,29-34,36-59H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,35-27-/t60-/m0/s1",YAVAVSMMSRUIQM,VJPYWOHBSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/24:1(15Z))",YAVAVSMMSRUIQM-VJPYWOHBSA-N
HMDB49561,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30,54H,4-8,10-11,13-15,17,22,24,26,29,31-53H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,30-27-/t54-/m1/s1",DUXGQUDTRWSNKB,MILKTGLKSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",DUXGQUDTRWSNKB-MILKTGLKSA-N
HMDB49562,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30,34,37,54H,4-8,10-11,13-15,17,22,24,26,29,31-33,35-36,38-53H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,30-27-,37-34-/t54-/m1/s1",MVNRVUDIGHQENX,CBHHGYFHSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",MVNRVUDIGHQENX-CBHHGYFHSA-N
HMDB49563,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,31,56H,4-8,10-11,13-15,17,22,24,26,29-30,32-55H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-/t56-/m0/s1",GXNDUJGRWSJCII,TYVBNYIDSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:2n6)",GXNDUJGRWSJCII-TYVBNYIDSA-N
HMDB49564,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,31-32,34,56H,4-8,10-11,13-15,17,22,24,26,29-30,33,35-55H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-/t56-/m0/s1",UCFCOHAQXPQECE,JDGIOSAGSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:3n6)",UCFCOHAQXPQECE-JDGIOSAGSA-N
HMDB49565,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,31-32,34,40,43,56H,4-8,10-11,13-15,17,22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",MNPLTYSOFDLEFW,XLUAYOJISA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",MNPLTYSOFDLEFW-XLUAYOJISA-N
HMDB49566,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,33,58H,4-8,10-11,13-15,17,22,24,26,29-32,34-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,33-27-/t58-/m0/s1",JNBIATKLIKWTIH,SQQXKMKESA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",JNBIATKLIKWTIH-SQQXKMKESA-N
HMDB49567,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33,36,39,58H,4-8,10-11,13-15,17,22,24,26,29,32,34-35,37-38,40-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-/t58-/m0/s1",QLXQCGZNBPDHGM,PGEOVJEOSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",QLXQCGZNBPDHGM-PGEOVJEOSA-N
HMDB49568,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33,36,39,45,48,58H,4-8,10-11,13-15,17,22,24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1",YJGSRUSBXRDZRR,UWDGBWHKSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YJGSRUSBXRDZRR-UWDGBWHKSA-N
HMDB49569,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30,54H,4-6,8,11,13-15,17,22,24,26,29,31-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,30-27-/t54-/m1/s1",CAFAYTLAHGBZMN,FPJLSZPESA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",CAFAYTLAHGBZMN-FPJLSZPESA-N
HMDB49570,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30,34,37,54H,4-6,8,11,13-15,17,22,24,26,29,31-33,35-36,38-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,30-27-,37-34-/t54-/m1/s1",CPOMOVJWCDUSKC,HGPYAJOXSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",CPOMOVJWCDUSKC-HGPYAJOXSA-N
HMDB49571,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,31-32,34,56H,4-6,8,11,13-15,17,22,24,26,29-30,33,35-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-/t56-/m0/s1",HPFZHSIIEHJQME,VUGGDCTBSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",HPFZHSIIEHJQME-VUGGDCTBSA-N
HMDB49572,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,31-32,34,40,43,56H,4-6,8,11,13-15,17,22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1",SJPXPPDFLZCAGK,DZTURHCRSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SJPXPPDFLZCAGK-DZTURHCRSA-N
HMDB49573,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30-31,33,36,39,58H,4-6,8,11,13-15,17,22,24,26,29,32,34-35,37-38,40-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-/t58-/m0/s1",SSAYMIGGQSUQCG,IXLDLCFUSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SSAYMIGGQSUQCG-IXLDLCFUSA-N
HMDB49574,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30-31,33,36,39,45,48,58H,4-6,8,11,13-15,17,22,24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1",HYUCLBATUCFTCG,GQEUYFTMSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HYUCLBATUCFTCG-GQEUYFTMSA-N
HMDB49575,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,30,55H,4-8,10-11,13-17,19,22,24-26,28-29,31-54H2,1-3H3/b12-9-,21-18-,23-20-,30-27-/t55-/m1/s1",RZDWVTRPHNHEBJ,PCSQJDSHSA,N,"TG(18:1(11Z)/18:3(9Z,12Z,15Z)/o-18:0)",RZDWVTRPHNHEBJ-PCSQJDSHSA-N
HMDB49576,878.736340868,C57H98O6,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-23,27,30,36,39,54H,4-8,10-11,13-17,24-26,28-29,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,22-19-,23-20-,30-27-,39-36-",YBQPAYVYLOJQRI,GHEMBNGUSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))",YBQPAYVYLOJQRI-GHEMBNGUSA-N
HMDB49577,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,26-27,29-30,36,39,54H,4-8,10-11,13-17,20,23-25,28,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,22-19-,29-26-,30-27-,39-36-/t54-/m0/s1",UTJFHCCLUORZER,OBLMMCDSSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))",UTJFHCCLUORZER-OBLMMCDSSA-N
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HMDB49582,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30,36,39,54H,4-8,10-11,13-15,17,22,24,26,29,31-35,37-38,40-53H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,30-27-,39-36-/t54-/m1/s1",VIJQQBDAOQXJFI,MADXJZEZSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",VIJQQBDAOQXJFI-MADXJZEZSA-N
HMDB49583,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30,34,36-37,39,54H,4-8,10-11,13-15,17,22,24,26,29,31-33,35,38,40-53H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,30-27-,37-34-,39-36-/t54-/m1/s1",CAZSGVNPPQBRLO,PWCSNBNRSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",CAZSGVNPPQBRLO-PWCSNBNRSA-N
HMDB49584,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,31,38,41,56H,4-8,10-11,13-15,17,22,24,26,29-30,32-37,39-40,42-55H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,41-38-/t56-/m0/s1",LRCRERGHJKJPSD,MAIGRJJESA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)",LRCRERGHJKJPSD-MAIGRJJESA-N
HMDB49585,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,31-32,34,38,41,56H,4-8,10-11,13-15,17,22,24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-/t56-/m0/s1",XWWYOMTYGUIMLE,XTLRZVMASA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)",XWWYOMTYGUIMLE-XTLRZVMASA-N
HMDB49586,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,31-32,34,38,40-41,43,56H,4-8,10-11,13-15,17,22,24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",XLBDBVTYZICFPC,RBQORJPZSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",XLBDBVTYZICFPC-RBQORJPZSA-N
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HMDB49588,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33,36,39-40,43,58H,4-8,10-11,13-15,17,22,24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-/t58-/m0/s1",RHDWOFOZVYXCBI,UBUPQOHKSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",RHDWOFOZVYXCBI-UBUPQOHKSA-N
HMDB49589,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-8,10-11,13-15,17,22,24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-/t58-/m0/s1",XVSLGBRMMPUHON,CIWHXAKQSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XVSLGBRMMPUHON-CIWHXAKQSA-N
HMDB49590,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30,36,39,54H,4-6,8,11,13-15,17,22,24,26,29,31-35,37-38,40-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,30-27-,39-36-/t54-/m1/s1",ASOQPPJWQVYDBT,MRPNDWIHSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",ASOQPPJWQVYDBT-MRPNDWIHSA-N
HMDB49591,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30,34,36-37,39,54H,4-6,8,11,13-15,17,22,24,26,29,31-33,35,38,40-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,30-27-,37-34-,39-36-/t54-/m1/s1",MQCHFNUKLQUAHI,OEWRFIMDSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",MQCHFNUKLQUAHI-OEWRFIMDSA-N
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HMDB49593,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,31-32,34,38,40-41,43,56H,4-6,8,11,13-15,17,22,24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",IJOIBRCADOEAGO,MAGUKABHSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IJOIBRCADOEAGO-MAGUKABHSA-N
HMDB49594,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30-31,33,36,39-40,43,58H,4-6,8,11,13-15,17,22,24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-/t58-/m0/s1",SIBDUJVZFNCUHK,CKXYCQKESA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SIBDUJVZFNCUHK-CKXYCQKESA-N
HMDB49595,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-6,8,11,13-15,17,22,24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-/t58-/m0/s1",NMBWREWNBSVWGK,KRWGDDCXSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NMBWREWNBSVWGK-KRWGDDCXSA-N
HMDB49596,866.772726384,C57H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,30,36,39,55H,4-8,10-11,13-17,19,22,24-26,28-29,31-35,37-38,40-54H2,1-3H3/b12-9-,21-18-,23-20-,30-27-,39-36-/t55-/m1/s1",VFDSPTRIQXDNNU,UOHWBMRBSA,N,"TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)",VFDSPTRIQXDNNU-UOHWBMRBSA-N
HMDB49597,906.767640996,C59H102O6,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28,32,35,56H,4-6,8-9,11-15,17-18,22,26-27,29-31,33-34,36-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,35-32-",BJRHKUASESZXCD,HJBMIRCBSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",BJRHKUASESZXCD-HJBMIRCBSA-N
HMDB49598,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,27-28,31-32,35,56H,4-6,8-9,11-15,17-18,21-22,24,26,29-30,33-34,36-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,35-32-/t56-/m0/s1",DQAAATFSRWUDDO,LSMYAOHTSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",DQAAATFSRWUDDO-LSMYAOHTSA-N
HMDB49599,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,37,58H,4-7,9-10,12-16,18-19,22-23,27,30-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-34-/t58-/m0/s1",RREZHSWFPBJQQG,ZFDVWHSRSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",RREZHSWFPBJQQG-ZFDVWHSRSA-N
HMDB49600,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,33-34,36-37,42,45,58H,4-7,9-10,12-16,18-19,22-23,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-/t58-/m0/s1",OFQHTENMQYFDIJ,QCGJNZKOSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",OFQHTENMQYFDIJ-QCGJNZKOSA-N
HMDB49601,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,36,39,60H,4-7,9-10,12-16,18-19,22-23,27,30-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,39-36-/t60-/m0/s1",LZQXDMQLLSQLDI,UWADXPHTSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))",LZQXDMQLLSQLDI-UWADXPHTSA-N
HMDB49602,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,38,41,62H,4-7,9-10,12-16,18-19,22-23,27,30-37,39-40,42-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,41-38-/t62-/m0/s1",RDWGEFPWYMUGHX,CYUUVPKJSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))",RDWGEFPWYMUGHX-CYUUVPKJSA-N
HMDB49603,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30,32,35,56H,4-6,8-9,11-15,18,22-23,27,29,31,33-34,36-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-/t56-/m1/s1",KKPIEADIBSZPSB,MYWMQSEISA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",KKPIEADIBSZPSB-MYWMQSEISA-N
HMDB49604,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30,32,35-36,39,56H,4-6,8-9,11-15,18,22-23,27,29,31,33-34,37-38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-/t56-/m1/s1",NXPWAHSSTZFDQM,PQFXGBAQSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",NXPWAHSSTZFDQM-PQFXGBAQSA-N
HMDB49605,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,34,37,58H,4-7,9-10,12-15,18,22-23,27,30-33,35-36,38-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,37-34-/t58-/m0/s1",YSIJVSVOKFJWOT,GIEXTECYSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)",YSIJVSVOKFJWOT-GIEXTECYSA-N
HMDB49606,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33-34,36-37,58H,4-7,9-10,12-15,18,22-23,27,30-32,35,38-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-/t58-/m0/s1",QZHKJWDCMCPRGR,OKZLIKNOSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)",QZHKJWDCMCPRGR-OKZLIKNOSA-N
HMDB49607,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33-34,36-37,42,45,58H,4-7,9-10,12-15,18,22-23,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-/t58-/m0/s1",KDDPRXSJTGNONY,JVBSCYCZSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",KDDPRXSJTGNONY-JVBSCYCZSA-N
HMDB49608,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,36,39,60H,4-7,9-10,12-15,18,22-23,27,30-35,37-38,40-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,39-36-/t60-/m0/s1",KLASWOYIZGCCMV,MVIVYUEWSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",KLASWOYIZGCCMV-MVIVYUEWSA-N
HMDB49609,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,60H,4-7,9-10,12-15,18,22-23,27,30,32,34-35,37,40,42-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-/t60-/m0/s1",TWDVZQIJTRNOQN,YIHJFQOPSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",TWDVZQIJTRNOQN-YIHJFQOPSA-N
HMDB49610,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,47,50,60H,4-7,9-10,12-15,18,22-23,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-/t60-/m0/s1",NWTURLYIJSOABO,TZMPUXRDSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",NWTURLYIJSOABO-TZMPUXRDSA-N
HMDB49611,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30,32,35,56H,4-6,9,12-15,18,22-23,27,29,31,33-34,36-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-/t56-/m1/s1",ITILJWCUIOZMOM,RMNADKPHSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",ITILJWCUIOZMOM-RMNADKPHSA-N
HMDB49612,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30,32,35-36,39,56H,4-6,9,12-15,18,22-23,27,29,31,33-34,37-38,40-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-/t56-/m1/s1",HWIYVWGYVREDBV,IQNNOPNZSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",HWIYVWGYVREDBV-IQNNOPNZSA-N
HMDB49613,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,33-34,36-37,58H,4-6,9,12-15,18,22-23,27,30-32,35,38-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-/t58-/m0/s1",GPQJOCGLJFFKMM,BSYBBYOCSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",GPQJOCGLJFFKMM-BSYBBYOCSA-N
HMDB49614,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,33-34,36-37,42,45,58H,4-6,9,12-15,18,22-23,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-/t58-/m0/s1",BDWMAUSDZOVZOG,DWAPIJLUSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BDWMAUSDZOVZOG-DWAPIJLUSA-N
HMDB49615,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,60H,4-6,9,12-15,18,22-23,27,30,32,34-35,37,40,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-/t60-/m0/s1",DRHZXOAXOIEMMY,YFBLPMCWSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DRHZXOAXOIEMMY-YFBLPMCWSA-N
HMDB49616,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,47,50,60H,4-6,9,12-15,18,22-23,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-/t60-/m0/s1",GLVZNJVSGWGEOW,XLAJVQPUSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GLVZNJVSGWGEOW-XLAJVQPUSA-N
HMDB49617,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,32,35,57H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33-34,36-56H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-32-/t57-/m1/s1",AYUUEHFRHUBCRB,IWJDGKNMSA,N,"TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)",AYUUEHFRHUBCRB-IWJDGKNMSA-N
HMDB49618,904.751990932,C59H100O6,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28,32,35,41,44,56H,4-6,8-9,11-15,17-18,22,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,35-32-,44-41-",USMXSRSOUZOXNH,FLPKKXOKSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))",USMXSRSOUZOXNH-FLPKKXOKSA-N
HMDB49619,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,27-28,31-32,35,41,44,56H,4-6,8-9,11-15,17-18,21-22,24,26,29-30,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,35-32-,44-41-/t56-/m0/s1",KBFSYGNREWZTIF,QCFIXAHWSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",KBFSYGNREWZTIF-QCFIXAHWSA-N
HMDB49620,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,37,43,46,58H,4-7,9-10,12-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-34-,46-43-/t58-/m0/s1",GAVPJHUBTLXVDC,JRWVYTKISA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",GAVPJHUBTLXVDC-JRWVYTKISA-N
HMDB49621,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-7,9-10,12-16,18-19,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",AMSXWCBGAVYMGE,MLTHFWQISA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",AMSXWCBGAVYMGE-MLTHFWQISA-N
HMDB49622,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,36,39,45,48,60H,4-7,9-10,12-16,18-19,22-23,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1",DXVPISXICMAMNF,XMAQSLAYSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",DXVPISXICMAMNF-XMAQSLAYSA-N
HMDB49623,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,38,41,47,50,62H,4-7,9-10,12-16,18-19,22-23,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,41-38-,50-47-/t62-/m0/s1",LZHKUKBQFHXJPV,HTNVGKCKSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",LZHKUKBQFHXJPV-HTNVGKCKSA-N
HMDB49624,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30,32,35,41,44,56H,4-6,8-9,11-15,18,22-23,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",SHRLYDMWSFBELB,BTRBCVAHSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",SHRLYDMWSFBELB-BTRBCVAHSA-N
HMDB49625,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30,32,35-36,39,41,44,56H,4-6,8-9,11-15,18,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1",NWWIMNVSUNRCOZ,VQSVBKIVSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",NWWIMNVSUNRCOZ-VQSVBKIVSA-N
HMDB49626,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,34,37,43,46,58H,4-7,9-10,12-15,18,22-23,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,37-34-,46-43-/t58-/m0/s1",ODGZUKIEWATANC,AJZJYGPMSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",ODGZUKIEWATANC-AJZJYGPMSA-N
HMDB49627,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33-34,36-37,43,46,58H,4-7,9-10,12-15,18,22-23,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,46-43-/t58-/m0/s1",WKWRPSWSOFXGSK,VLQYAHMCSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",WKWRPSWSOFXGSK-VLQYAHMCSA-N
HMDB49628,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-7,9-10,12-15,18,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",KUUGBVIHMXHACG,ADEXCULUSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",KUUGBVIHMXHACG-ADEXCULUSA-N
HMDB49629,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,36,39,45,48,60H,4-7,9-10,12-15,18,22-23,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1",TUXUSRKEZCBDLD,RGWBQLMMSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",TUXUSRKEZCBDLD-RGWBQLMMSA-N
HMDB49630,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,48,60H,4-7,9-10,12-15,18,22-23,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1",KQHIUWHKRXQFTK,VMGYSLFXSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",KQHIUWHKRXQFTK-VMGYSLFXSA-N
HMDB49631,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-7,9-10,12-15,18,22-23,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",GJZAKWNUCSDFIU,VTAQKUKXSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GJZAKWNUCSDFIU-VTAQKUKXSA-N
HMDB49632,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30,32,35,41,44,56H,4-6,9,12-15,18,22-23,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1",ZQYFPDFYJXJUJL,LYZDWMDLSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",ZQYFPDFYJXJUJL-LYZDWMDLSA-N
HMDB49633,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30,32,35-36,39,41,44,56H,4-6,9,12-15,18,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1",AHNSDPOPBSQNPL,KTPNGOHKSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",AHNSDPOPBSQNPL-KTPNGOHKSA-N
HMDB49634,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,33-34,36-37,43,46,58H,4-6,9,12-15,18,22-23,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,46-43-/t58-/m0/s1",YNURZHQZVSEWKT,OIEDKAOWSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",YNURZHQZVSEWKT-OIEDKAOWSA-N
HMDB49635,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,9,12-15,18,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",BHNZVYBODMKEQT,SSUPLLPUSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BHNZVYBODMKEQT-SSUPLLPUSA-N
HMDB49636,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,9,12-15,18,22-23,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1",NAGOEYAYRYTHKH,JGWPCJPLSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NAGOEYAYRYTHKH-JGWPCJPLSA-N
HMDB49637,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-6,9,12-15,18,22-23,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",JYQMBTBKFXOONK,KKRZSUBSSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JYQMBTBKFXOONK-KKRZSUBSSA-N
HMDB49638,892.788376449,C59H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,32,35,41,44,57H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-32-,44-41-/t57-/m1/s1",NJUKXJMCOTVHLB,ZWWZSIAOSA,N,"TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)",NJUKXJMCOTVHLB-ZWWZSIAOSA-N
HMDB49639,932.78329106,C61H104O6,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28,30-31,37,40,58H,4-6,8-9,11-15,17-18,22,26-27,29,32-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,31-30-,40-37-",YBBPIIXKGBYEKP,TUKRZYELSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",YBBPIIXKGBYEKP-TUKRZYELSA-N
HMDB49640,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,27-28,30-31,33,37,40,58H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,33-27-,40-37-/t58-/m0/s1",ULLFKESJPQXKFQ,NRKOCVECSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",ULLFKESJPQXKFQ-NRKOCVECSA-N
HMDB49641,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,39,42,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,42-39-/t60-/m0/s1",STYPVONFSDGUHW,IFVPRQCISA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",STYPVONFSDGUHW-IFVPRQCISA-N
HMDB49642,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",GYCKKRXENHOTFF,GKTAFWSMSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",GYCKKRXENHOTFF-GKTAFWSMSA-N
HMDB49643,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,33,35,41,44,62H,4-7,9-10,12-16,18-19,22-23,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-/t62-/m0/s1",LFOPSECXMYBQRV,PRERZLRXSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",LFOPSECXMYBQRV-PRERZLRXSA-N
HMDB49644,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,37,43,46,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-34-,46-43-/t64-/m0/s1",CTDOJEOMGKZPOZ,ZYEHNKFXSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",CTDOJEOMGKZPOZ-ZYEHNKFXSA-N
HMDB49645,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30-32,37,40,58H,4-6,8-9,11-15,18,22-23,27,29,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-/t58-/m1/s1",GLHCVAJPRWJWGX,SNMBTDQMSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",GLHCVAJPRWJWGX-SNMBTDQMSA-N
HMDB49646,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30-32,37-38,40-41,58H,4-6,8-9,11-15,18,22-23,27,29,33-36,39,42-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-/t58-/m1/s1",XVZNWAAECWXIIZ,FWYQKGNGSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",XVZNWAAECWXIIZ-FWYQKGNGSA-N
HMDB49647,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,39,42,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,42-39-/t60-/m0/s1",ICXGNYXLZAKZKP,FFEAFRBDSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",ICXGNYXLZAKZKP-FFEAFRBDSA-N
HMDB49648,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,38-39,42,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-/t60-/m0/s1",RDYPQHGKLGNVNR,ZXYKEFTISA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",RDYPQHGKLGNVNR-ZXYKEFTISA-N
HMDB49649,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",GLIIMTFLXXHIBR,ZDVGPOOSSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",GLIIMTFLXXHIBR-ZDVGPOOSSA-N
HMDB49650,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33,35,41,44,62H,4-7,9-10,12-15,18,22-23,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-/t62-/m0/s1",HAFPREPHBJAEMF,WRPKJXAISA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",HAFPREPHBJAEMF-WRPKJXAISA-N
HMDB49651,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,62H,4-7,9-10,12-15,18,22-23,27,30-31,36-39,42,45-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-/t62-/m0/s1",IZZMYZCFYMJOPA,JACVGXIUSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",IZZMYZCFYMJOPA-JACVGXIUSA-N
HMDB49652,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,49,52,62H,4-7,9-10,12-15,18,22-23,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-/t62-/m0/s1",XKLODESLCLIXEV,PSXUGWDYSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XKLODESLCLIXEV-PSXUGWDYSA-N
HMDB49653,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30-32,37,40,58H,4-6,9,12-15,18,22-23,27,29,33-36,38-39,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-/t58-/m1/s1",QGXJXYSDAPVAMF,LQJDFYAGSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",QGXJXYSDAPVAMF-LQJDFYAGSA-N
HMDB49654,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30-32,37-38,40-41,58H,4-6,9,12-15,18,22-23,27,29,33-36,39,42-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-/t58-/m1/s1",NQANYRAXUXMPFH,JFUBCGCESA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",NQANYRAXUXMPFH-JFUBCGCESA-N
HMDB49655,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,60H,4-6,9,12-15,18,22-23,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-/t60-/m0/s1",GMVLULHDBJHRNL,RKINMUMBSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",GMVLULHDBJHRNL-RKINMUMBSA-N
HMDB49656,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,9,12-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1",FQYWDFDUCXHAEX,PNOINLTMSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FQYWDFDUCXHAEX-PNOINLTMSA-N
HMDB49657,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,62H,4-6,9,12-15,18,22-23,27,30-31,36-39,42,45-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-/t62-/m0/s1",LRBIDJYFWXUQGA,ZSFFAGERSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LRBIDJYFWXUQGA-ZSFFAGERSA-N
HMDB49658,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,49,52,62H,4-6,9,12-15,18,22-23,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-/t62-/m0/s1",LVFGCKMHIYKCGK,KPJQOHOXSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LVFGCKMHIYKCGK-KPJQOHOXSA-N
HMDB49659,920.819676578,C61H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,31-32,37,40,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,32-31-,40-37-/t59-/m1/s1",ZWPRYLKFZWBIRI,ZYOBGSBYSA,N,"TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",ZWPRYLKFZWBIRI-ZYOBGSBYSA-N
HMDB49660,930.767640996,C61H102O6,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28,30-31,37,40,46,49,58H,4-6,8-9,11-15,17-18,22,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,31-30-,40-37-,49-46-",PWCQLCPHVJVTCT,PKTKECMQSA,N,"TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",PWCQLCPHVJVTCT-PKTKECMQSA-N
HMDB49661,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,27-28,30-31,33,37,40,46,49,58H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,33-27-,40-37-,49-46-/t58-/m0/s1",GDGZFSHDBIIQJJ,WKNRUSGMSA,N,"TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",GDGZFSHDBIIQJJ-WKNRUSGMSA-N
HMDB49662,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,39,42,48,51,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,42-39-,51-48-/t60-/m0/s1",INWPHLCORRPJIM,KJAIXDQISA,N,"TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",INWPHLCORRPJIM-KJAIXDQISA-N
HMDB49663,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",HVOSMRAPGYBTSZ,QNLGPDMTSA,N,"TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",HVOSMRAPGYBTSZ-QNLGPDMTSA-N
HMDB49664,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,33,35,41,44,50,53,62H,4-7,9-10,12-16,18-19,22-23,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-,53-50-/t62-/m0/s1",NQPBYQYIPFFGEC,CVFNCMMCSA,N,"TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",NQPBYQYIPFFGEC-CVFNCMMCSA-N
HMDB49665,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-34-,46-43-,55-52-/t64-/m0/s1",WRIISRHXOXAMIL,UYMZFZOFSA,N,"TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",WRIISRHXOXAMIL-UYMZFZOFSA-N
HMDB49666,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30-32,37,40,46,49,58H,4-6,8-9,11-15,18,22-23,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,49-46-/t58-/m1/s1",UZKQLKRLHIEGIL,SPDXGZJASA,N,"TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",UZKQLKRLHIEGIL-SPDXGZJASA-N
HMDB49667,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30-32,37-38,40-41,46,49,58H,4-6,8-9,11-15,18,22-23,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-/t58-/m1/s1",YQKSDJSZMGYHAE,AJCBCWKVSA,N,"TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",YQKSDJSZMGYHAE-AJCBCWKVSA-N
HMDB49668,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,39,42,48,51,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,42-39-,51-48-/t60-/m0/s1",HIGNKIDTFFNZDL,FSYKTYDQSA,N,"TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",HIGNKIDTFFNZDL-FSYKTYDQSA-N
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HMDB49670,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",HXQABWBASCQTOJ,FBDKKEFZSA,N,"TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",HXQABWBASCQTOJ-FBDKKEFZSA-N
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HMDB49685,928.882276835,C61H116O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h21,24-25,28,59H,4-20,22-23,26-27,29-58H2,1-3H3/b24-21-,28-25-/t59-/m0/s1",AVOGJLBZQNPISG,JHTVFDPBSA,N,TG(18:1(11Z)/o-18:0/22:1(13Z)),AVOGJLBZQNPISG-JHTVFDPBSA-N
HMDB49686,956.913576964,C63H120O5,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h21,24-25,28,61H,4-20,22-23,26-27,29-60H2,1-3H3/b24-21-,28-25-/t61-/m0/s1",LISACBAHGCRQCQ,KKYDTTANSA,N,TG(18:1(11Z)/o-18:0/24:1(15Z)),LISACBAHGCRQCQ-KKYDTTANSA-N
HMDB49687,870.804026513,C57H106O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,29,55H,4-16,18-19,22-23,25,27-28,30-54H2,1-3H3/b20-17-,24-21-,29-26-/t55-/m1/s1",PEJYXBAMEZPBAX,QIJLKOGJSA,N,"TG(18:1(11Z)/o-18:0/18:2(9Z,12Z))",PEJYXBAMEZPBAX-QIJLKOGJSA-N
HMDB49688,868.788376449,C57H104O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,29,35,38,55H,4-16,18-19,22-23,25,27-28,30-34,36-37,39-54H2,1-3H3/b20-17-,24-21-,29-26-,38-35-/t55-/m1/s1",OVZDGNXRQHXYRU,DKHQVFKZSA,N,"TG(18:1(11Z)/o-18:0/18:3(6Z,9Z,12Z))",OVZDGNXRQHXYRU-DKHQVFKZSA-N
HMDB49689,898.835326642,C59H110O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,57H,4-15,17-18,20,22-23,26-27,29-56H2,1-3H3/b19-16-,24-21-,28-25-/t57-/m0/s1",ZNNJNLQYMPGZAH,UMQWWVECSA,N,TG(18:1(11Z)/o-18:0/20:2n6),ZNNJNLQYMPGZAH-UMQWWVECSA-N
HMDB49690,896.819676578,C59H108O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,35,57H,4-15,17-18,20,22-23,26-27,29-31,33-34,36-56H2,1-3H3/b19-16-,24-21-,28-25-,35-32-/t57-/m0/s1",QBUMCZYGPSPPKZ,MBRROOBRSA,N,TG(18:1(11Z)/o-18:0/20:3n6),QBUMCZYGPSPPKZ-MBRROOBRSA-N
HMDB49691,894.804026513,C59H106O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,35,41,44,57H,4-15,17-18,20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b19-16-,24-21-,28-25-,35-32-,44-41-/t57-/m0/s1",FZAFHTPDDGZZEB,JLDZQWSSSA,N,"TG(18:1(11Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))",FZAFHTPDDGZZEB-JLDZQWSSSA-N
HMDB49692,926.866626771,C61H114O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,59H,4-15,17-18,20,22-23,26-27,29-58H2,1-3H3/b19-16-,24-21-,28-25-/t59-/m0/s1",FJIWLFYCFVEOMI,ABMSFDGSSA,N,"TG(18:1(11Z)/o-18:0/22:2(13Z,16Z))",FJIWLFYCFVEOMI-ABMSFDGSSA-N
HMDB49693,922.835326642,C61H110O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,37,40,59H,4-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,40-37-/t59-/m0/s1",OGCBSKKXUYCZNR,GSVAOVHASA,N,"TG(18:1(11Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))",OGCBSKKXUYCZNR-GSVAOVHASA-N
HMDB49694,920.819676578,C61H108O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,37,40,46,49,59H,4-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,40-37-,49-46-/t59-/m0/s1",XDRYQBSIGJPHPG,RYUGJFRLSA,N,"TG(18:1(11Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",XDRYQBSIGJPHPG-RYUGJFRLSA-N
HMDB49695,868.788376449,C57H104O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,29,55H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-54H2,1-3H3/b11-8-,20-17-,24-21-,29-26-/t55-/m1/s1",PCTKCCIZPRJCIQ,UXYCMECVSA,N,"TG(18:1(11Z)/o-18:0/18:3(9Z,12Z,15Z))",PCTKCCIZPRJCIQ-UXYCMECVSA-N
HMDB49696,866.772726384,C57H102O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,29,35,38,55H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,38-35-/t55-/m1/s1",JLRXETBUGMIPJK,SSFJOSMMSA,N,"TG(18:1(11Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",JLRXETBUGMIPJK-SSFJOSMMSA-N
HMDB49697,894.804026513,C59H106O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,32,35,57H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33-34,36-56H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-32-/t57-/m0/s1",GPOSJNIDYIXNIR,ADDDTKLBSA,N,"TG(18:1(11Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",GPOSJNIDYIXNIR-ADDDTKLBSA-N
HMDB49698,892.788376449,C59H104O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,32,35,41,44,57H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-32-,44-41-/t57-/m0/s1",NECHLBAMOCZPMU,CCWOTJQHSA,N,"TG(18:1(11Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",NECHLBAMOCZPMU-CCWOTJQHSA-N
HMDB49699,920.819676578,C61H108O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,31-32,37,40,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,32-31-,40-37-/t59-/m0/s1",XBQVAFTYPDZFFB,MAFOXWTFSA,N,"TG(18:1(11Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",XBQVAFTYPDZFFB-MAFOXWTFSA-N
HMDB49700,918.804026513,C61H106O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,31-32,37,40,46,49,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,32-31-,40-37-,49-46-/t59-/m0/s1",LVKTVYGQXHVXIK,YXKDROSDSA,N,"TG(18:1(11Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LVKTVYGQXHVXIK-YXKDROSDSA-N
HMDB49702,858.767641004,C55H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h24-26,28,52H,4-23,27,29-51H2,1-3H3/b26-24-,28-25-/t52-/m0/s1",PKRXGSWZBYIFAL,DZEPMMRRSA,N,TG(18:1(9Z)/14:0/20:1(11Z)),PKRXGSWZBYIFAL-DZEPMMRRSA-N
HMDB49703,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h24-26,28-29,31,36,39,52H,4-23,27,30,32-35,37-38,40-51H2,1-3H3/b26-24-,28-25-,31-29-,39-36-/t52-/m0/s1",FKXMCCLURPJVSY,YUDDMTTCSA,N,"TG(18:1(9Z)/14:0/20:3(5Z,8Z,11Z))",FKXMCCLURPJVSY-YUDDMTTCSA-N
HMDB49704,886.798941133,C57H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h24-26,30,54H,4-23,27-29,31-53H2,1-3H3/b26-24-,30-25-/t54-/m0/s1",AEGMJUGKJPFAAT,LRTZKONZSA,N,TG(18:1(9Z)/14:0/22:1(13Z)),AEGMJUGKJPFAAT-LRTZKONZSA-N
HMDB49705,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h24-26,32,56H,4-23,27-31,33-55H2,1-3H3/b26-24-,32-25-/t56-/m0/s1",IFMFNZAUKDXUBS,XEFQVAJMSA,N,TG(18:1(9Z)/14:0/24:1(15Z)),IFMFNZAUKDXUBS-XEFQVAJMSA-N
HMDB49707,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,31,33,50H,4-15,17-18,20-23,28-30,32,34-49H2,1-3H3/b19-16-,26-24-,27-25-,33-31-/t50-/m1/s1",CPXSGNSWEVLSMR,RFHHPPHQSA,N,"TG(18:1(9Z)/14:0/18:3(6Z,9Z,12Z))",CPXSGNSWEVLSMR-RFHHPPHQSA-N
HMDB49708,856.75199094,C55H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28,52H,4-15,17-18,20-23,27,29-51H2,1-3H3/b19-16-,26-24-,28-25-/t52-/m0/s1",ADOAWMSGAVKGKY,LOUZIDRQSA,N,TG(18:1(9Z)/14:0/20:2n6),ADOAWMSGAVKGKY-LOUZIDRQSA-N
HMDB49709,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-29,31,52H,4-15,17-18,20-23,27,30,32-51H2,1-3H3/b19-16-,26-24-,28-25-,31-29-/t52-/m0/s1",IZFUNBOVXKVHER,VPOULGQASA,N,TG(18:1(9Z)/14:0/20:3n6),IZFUNBOVXKVHER-VPOULGQASA-N
HMDB49711,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,30,54H,4-15,17-18,20-23,27-29,31-53H2,1-3H3/b19-16-,26-24-,30-25-/t54-/m0/s1",QTMSSVDGQFTUGW,AILSCRDTSA,N,"TG(18:1(9Z)/14:0/22:2(13Z,16Z))",QTMSSVDGQFTUGW-AILSCRDTSA-N
HMDB49712,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,33,36,54H,4-15,17-18,20-23,27,31-32,34-35,37-53H2,1-3H3/b19-16-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",SHWUEDFQQXTCJE,BVQXJMJWSA,N,"TG(18:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))",SHWUEDFQQXTCJE-BVQXJMJWSA-N
HMDB49713,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,33,36,41,44,54H,4-15,17-18,20-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b19-16-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m0/s1",IRDREHRDFOQHJJ,QRUWUTQMSA,N,"TG(18:1(9Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",IRDREHRDFOQHJJ-QRUWUTQMSA-N
HMDB49714,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,50H,4-6,8-9,11-15,17-18,20-23,28-49H2,1-3H3/b10-7-,19-16-,26-24-,27-25-/t50-/m1/s1",SSLGOTTYMVPUBG,HBIZVULXSA,N,"TG(18:1(9Z)/14:0/18:3(9Z,12Z,15Z))",SSLGOTTYMVPUBG-HBIZVULXSA-N
HMDB49715,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,31,33,50H,4-6,8-9,11-15,17-18,20-23,28-30,32,34-49H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,33-31-/t50-/m1/s1",GFYWVCPXDQTCAR,HJNAYTLHSA,N,"TG(18:1(9Z)/14:0/18:4(6Z,9Z,12Z,15Z))",GFYWVCPXDQTCAR-HJNAYTLHSA-N
HMDB49716,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-29,31,52H,4-6,8-9,11-15,17-18,20-23,27,30,32-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,31-29-/t52-/m0/s1",MGEAAPQRAKZVAR,DBTYPVFMSA,N,"TG(18:1(9Z)/14:0/20:4(8Z,11Z,14Z,17Z))",MGEAAPQRAKZVAR-DBTYPVFMSA-N
HMDB49717,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-29,31,36,39,52H,4-6,8-9,11-15,17-18,20-23,27,30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1",ZAHFDRFPYKCJGC,FQXVTDPASA,N,"TG(18:1(9Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZAHFDRFPYKCJGC-FQXVTDPASA-N
HMDB49718,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,33,36,54H,4-6,8-9,11-15,17-18,20-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",DXBIKRVPFFAAGX,ACYRNCCJSA,N,"TG(18:1(9Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",DXBIKRVPFFAAGX-ACYRNCCJSA-N
HMDB49719,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,33,36,41,44,54H,4-6,8-9,11-15,17-18,20-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m0/s1",YIMISTFICZDMGH,DSGPUPJOSA,N,"TG(18:1(9Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YIMISTFICZDMGH-DSGPUPJOSA-N
HMDB49720,818.772726384,C53H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,51H,4-24,26,28-50H2,1-3H3/b27-25-/t51-/m1/s1",FRQUIAWRZAUDIT,IWRJKWNLSA,N,TG(18:1(9Z)/14:0/o-18:0),FRQUIAWRZAUDIT-IWRJKWNLSA-N
HMDB49721,844.751990932,C54H100O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,51H,4-24,29-50H2,1-3H3/b27-25-,28-26-",KMYOVEHIAVEUBH,LBXGSASVSA,N,TG(18:1(9Z)/15:0/18:1(9Z)),KMYOVEHIAVEUBH-LBXGSASVSA-N
HMDB49722,872.783291069,C56H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29,53H,4-24,28,30-52H2,1-3H3/b27-25-,29-26-/t53-/m0/s1",JKVSURSURHHGMP,OAYYAUBZSA,N,TG(18:1(9Z)/15:0/20:1(11Z)),JKVSURSURHHGMP-OAYYAUBZSA-N
HMDB49723,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,32,37,40,53H,4-24,28,31,33-36,38-39,41-52H2,1-3H3/b27-25-,29-26-,32-30-,40-37-/t53-/m0/s1",JQLQWFHCAZDHBO,QLIVOQJHSA,N,"TG(18:1(9Z)/15:0/20:3(5Z,8Z,11Z))",JQLQWFHCAZDHBO-QLIVOQJHSA-N
HMDB49724,900.814591198,C58H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h25-27,31,55H,4-24,28-30,32-54H2,1-3H3/b27-25-,31-26-/t55-/m0/s1",WDEQRGGWWPURTM,JPVYIBRBSA,N,TG(18:1(9Z)/15:0/22:1(13Z)),WDEQRGGWWPURTM-JPVYIBRBSA-N
HMDB49725,928.845891326,C60H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h25-27,33,57H,4-24,28-32,34-56H2,1-3H3/b27-25-,33-26-/t57-/m0/s1",CQHBNHZPQMAQRQ,BVWQVLTHSA,N,TG(18:1(9Z)/15:0/24:1(15Z)),CQHBNHZPQMAQRQ-BVWQVLTHSA-N
HMDB49726,842.736340876,C54H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,51H,4-15,17-18,20-24,29-50H2,1-3H3/b19-16-,27-25-,28-26-/t51-/m1/s1",WZQHACRHKQJTGS,GBFVOJRPSA,N,"TG(18:1(9Z)/15:0/18:2(9Z,12Z))",WZQHACRHKQJTGS-GBFVOJRPSA-N
HMDB49727,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,32,34,51H,4-15,17-18,20-24,29-31,33,35-50H2,1-3H3/b19-16-,27-25-,28-26-,34-32-/t51-/m1/s1",RSWPVBGNLKPZPM,OLMTVZARSA,N,"TG(18:1(9Z)/15:0/18:3(6Z,9Z,12Z))",RSWPVBGNLKPZPM-OLMTVZARSA-N
HMDB49728,870.767641004,C56H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29,53H,4-15,17-18,20-24,28,30-52H2,1-3H3/b19-16-,27-25-,29-26-/t53-/m0/s1",WBJZILWMRLIGJK,SNRVFDCWSA,N,TG(18:1(9Z)/15:0/20:2n6),WBJZILWMRLIGJK-SNRVFDCWSA-N
HMDB49729,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,53H,4-15,17-18,20-24,28,31,33-52H2,1-3H3/b19-16-,27-25-,29-26-,32-30-/t53-/m0/s1",CUXOTPCOHAYRDJ,QXDCUXCOSA,N,TG(18:1(9Z)/15:0/20:3n6),CUXOTPCOHAYRDJ-QXDCUXCOSA-N
HMDB49730,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,37,40,53H,4-15,17-18,20-24,28,31,33-36,38-39,41-52H2,1-3H3/b19-16-,27-25-,29-26-,32-30-,40-37-/t53-/m0/s1",AVNHENJNEMAYEE,MSAFKPKXSA,N,"TG(18:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z))",AVNHENJNEMAYEE-MSAFKPKXSA-N
HMDB49731,898.798941133,C58H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,55H,4-15,17-18,20-24,28-30,32-54H2,1-3H3/b19-16-,27-25-,31-26-/t55-/m0/s1",AGEPNYPMOSCATG,WEYDMKCFSA,N,"TG(18:1(9Z)/15:0/22:2(13Z,16Z))",AGEPNYPMOSCATG-WEYDMKCFSA-N
HMDB49732,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,55H,4-15,17-18,20-24,28,32-33,35-36,38-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1",MQPBTMPNVFAWSG,GBEIIIRWSA,N,"TG(18:1(9Z)/15:0/22:4(7Z,10Z,13Z,16Z))",MQPBTMPNVFAWSG-GBEIIIRWSA-N
HMDB49733,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,42,45,55H,4-15,17-18,20-24,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-,45-42-/t55-/m0/s1",WOYOWLJDDVEWBN,XCMOWYRKSA,N,"TG(18:1(9Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",WOYOWLJDDVEWBN-XCMOWYRKSA-N
HMDB49734,840.720690811,C54H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,51H,4-6,8-9,11-15,17-18,20-24,29-50H2,1-3H3/b10-7-,19-16-,27-25-,28-26-/t51-/m1/s1",UENRHGYFBNBHLO,KQCPJNLHSA,N,"TG(18:1(9Z)/15:0/18:3(9Z,12Z,15Z))",UENRHGYFBNBHLO-KQCPJNLHSA-N
HMDB49735,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,32,34,51H,4-6,8-9,11-15,17-18,20-24,29-31,33,35-50H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-32-/t51-/m1/s1",KJZKUSNFWFPWLM,XFMMKUGYSA,N,"TG(18:1(9Z)/15:0/18:4(6Z,9Z,12Z,15Z))",KJZKUSNFWFPWLM-XFMMKUGYSA-N
HMDB49736,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,32,53H,4-6,8-9,11-15,17-18,20-24,28,31,33-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,32-30-/t53-/m0/s1",WYMXOHYTMBFFDQ,FVUDNHSNSA,N,"TG(18:1(9Z)/15:0/20:4(8Z,11Z,14Z,17Z))",WYMXOHYTMBFFDQ-FVUDNHSNSA-N
HMDB49737,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,32,37,40,53H,4-6,8-9,11-15,17-18,20-24,28,31,33-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,32-30-,40-37-/t53-/m0/s1",IFCDIDWKENXLMY,BGHIIRIUSA,N,"TG(18:1(9Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",IFCDIDWKENXLMY-BGHIIRIUSA-N
HMDB49738,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,34,37,55H,4-6,8-9,11-15,17-18,20-24,28,32-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1",SEEUHYOSPVEIRL,YCAFOTJOSA,N,"TG(18:1(9Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",SEEUHYOSPVEIRL-YCAFOTJOSA-N
HMDB49739,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,34,37,42,45,55H,4-6,8-9,11-15,17-18,20-24,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-34-,45-42-/t55-/m0/s1",LLVNIAQYRAEPFL,HUPHEQOKSA,N,"TG(18:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LLVNIAQYRAEPFL-HUPHEQOKSA-N
HMDB49740,832.788376449,C54H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-/t52-/m1/s1",FUYXCWQRELQTDS,FEKLXSIDSA,N,TG(18:1(9Z)/15:0/o-18:0),FUYXCWQRELQTDS-FEKLXSIDSA-N
HMDB49741,858.767640996,C55H102O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26-",PPTGNVIVNZLPPS,LBXGSASVSA,N,TG(18:1(9Z)/16:0/18:1(9Z)),PPTGNVIVNZLPPS-LBXGSASVSA-N
HMDB49742,886.798941133,C57H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-27,29,54H,4-24,28,30-53H2,1-3H3/b27-25-,29-26-/t54-/m0/s1",QGNIPXOMZXZILE,VMQTVZDXSA,N,TG(18:1(9Z)/16:0/20:1(11Z)),QGNIPXOMZXZILE-VMQTVZDXSA-N
HMDB49743,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,33,38,41,54H,4-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b27-25-,29-26-,33-30-,41-38-/t54-/m0/s1",QEQZJVMDJZDGPY,FJBXZDKUSA,N,"TG(18:1(9Z)/16:0/20:3(5Z,8Z,11Z))",QEQZJVMDJZDGPY-FJBXZDKUSA-N
HMDB49744,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h25-27,31,56H,4-24,28-30,32-55H2,1-3H3/b27-25-,31-26-/t56-/m0/s1",FNKCAFMYNGUZAU,ZFWLCYAFSA,N,TG(18:1(9Z)/16:0/22:1(13Z)),FNKCAFMYNGUZAU-ZFWLCYAFSA-N
HMDB49745,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h25-27,33,58H,4-24,28-32,34-57H2,1-3H3/b27-25-,33-26-/t58-/m0/s1",ABSZNRZAXPIPNQ,YHAQPZLLSA,N,TG(18:1(9Z)/16:0/24:1(15Z)),ABSZNRZAXPIPNQ-YHAQPZLLSA-N
HMDB49746,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,52H,4-15,17-18,20-24,29-51H2,1-3H3/b19-16-,27-25-,28-26-/t52-/m1/s1",FSTOZAMDIJDRCH,RISKEULASA,N,"TG(18:1(9Z)/16:0/18:2(9Z,12Z))",FSTOZAMDIJDRCH-RISKEULASA-N
HMDB49747,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,32,35,52H,4-15,17-18,20-24,29-31,33-34,36-51H2,1-3H3/b19-16-,27-25-,28-26-,35-32-/t52-/m1/s1",GFEXFTRWUFPQIW,UIPNBLTNSA,N,"TG(18:1(9Z)/16:0/18:3(6Z,9Z,12Z))",GFEXFTRWUFPQIW-UIPNBLTNSA-N
HMDB49748,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29,54H,4-15,17-18,20-24,28,30-53H2,1-3H3/b19-16-,27-25-,29-26-/t54-/m0/s1",TYPSCZYHWXUNQD,HLYOSYIHSA,N,TG(18:1(9Z)/16:0/20:2n6),TYPSCZYHWXUNQD-HLYOSYIHSA-N
HMDB49749,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,33,54H,4-15,17-18,20-24,28,31-32,34-53H2,1-3H3/b19-16-,27-25-,29-26-,33-30-/t54-/m0/s1",XWUIEUCNKIBJAB,SSKDQPTCSA,N,TG(18:1(9Z)/16:0/20:3n6),XWUIEUCNKIBJAB-SSKDQPTCSA-N
HMDB49750,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,33,38,41,54H,4-15,17-18,20-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1",WICODSUDRZUJKB,FFBDFEMSSA,N,"TG(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))",WICODSUDRZUJKB-FFBDFEMSSA-N
HMDB49751,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,56H,4-15,17-18,20-24,28-30,32-55H2,1-3H3/b19-16-,27-25-,31-26-/t56-/m0/s1",HWKAIWZZUFKVOO,JTCUIPEBSA,N,"TG(18:1(9Z)/16:0/22:2(13Z,16Z))",HWKAIWZZUFKVOO-JTCUIPEBSA-N
HMDB49752,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,35,37,56H,4-15,17-18,20-24,28,32-34,36,38-55H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-35-/t56-/m0/s1",MMLPWMDJNUZJIP,LRPFENQZSA,N,"TG(18:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))",MMLPWMDJNUZJIP-LRPFENQZSA-N
HMDB49753,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,35,37,43,46,56H,4-15,17-18,20-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m0/s1",QICYVFDEINDWCV,CDOBTFDPSA,N,"TG(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",QICYVFDEINDWCV-CDOBTFDPSA-N
HMDB49755,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,32,35,52H,4-6,8-9,11-15,17-18,20-24,29-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,35-32-/t52-/m1/s1",MXFKCAQPYLTUMC,DUGBKBSISA,N,"TG(18:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z))",MXFKCAQPYLTUMC-DUGBKBSISA-N
HMDB49756,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,33,54H,4-6,8-9,11-15,17-18,20-24,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,33-30-/t54-/m0/s1",ZMONUYUAVAZYFU,MPZPZLFDSA,N,"TG(18:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z))",ZMONUYUAVAZYFU-MPZPZLFDSA-N
HMDB49760,846.804026513,C55H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,53H,4-25,27,29-52H2,1-3H3/b28-26-/t53-/m1/s1",LZGBURNISXIARD,OEZZFSSDSA,N,TG(18:1(9Z)/16:0/o-18:0),LZGBURNISXIARD-OEZZFSSDSA-N
HMDB49761,886.798941124,C57H106O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,54H,4-24,27,30-53H2,1-3H3/b28-25-,29-26-",KGSBKZXRGYMKBT,RZEXXKRKSA,N,TG(18:1(9Z)/18:0/18:1(9Z)),KGSBKZXRGYMKBT-RZEXXKRKSA-N
HMDB49762,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25-26,28,30,56H,4-24,27,29,31-55H2,1-3H3/b28-25-,30-26-/t56-/m0/s1",ZKCCURQELYISMZ,ZYDPFBNWSA,N,TG(18:1(9Z)/18:0/20:1(11Z)),ZKCCURQELYISMZ-ZYDPFBNWSA-N
HMDB49763,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25-26,28,30,32,34,40,43,56H,4-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b28-25-,30-26-,34-32-,43-40-/t56-/m0/s1",ONLOBXBWVABESV,OYDXIBNGSA,N,"TG(18:1(9Z)/18:0/20:3(5Z,8Z,11Z))",ONLOBXBWVABESV-OYDXIBNGSA-N
HMDB49764,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h25-26,28,32,58H,4-24,27,29-31,33-57H2,1-3H3/b28-25-,32-26-/t58-/m0/s1",QFGOYGNOTBVZDL,FNHBVCHXSA,N,TG(18:1(9Z)/18:0/22:1(13Z)),QFGOYGNOTBVZDL-FNHBVCHXSA-N
HMDB49765,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h25-26,28,34,60H,4-24,27,29-33,35-59H2,1-3H3/b28-25-,34-26-/t60-/m0/s1",BGOSCAYGIGBWAZ,PXTDELHOSA,N,TG(18:1(9Z)/18:0/24:1(15Z)),BGOSCAYGIGBWAZ-PXTDELHOSA-N
HMDB49766,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,54H,4-15,17-18,20-24,27,30-53H2,1-3H3/b19-16-,28-25-,29-26-/t54-/m1/s1",OCXMVEFWZCJXTP,FLTCGBKESA,N,"TG(18:1(9Z)/18:0/18:2(9Z,12Z))",OCXMVEFWZCJXTP-FLTCGBKESA-N
HMDB49767,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,54H,4-15,17-18,20-24,27,30-33,35-36,38-53H2,1-3H3/b19-16-,28-25-,29-26-,37-34-/t54-/m1/s1",UZBLVYUHSFGJIV,OJASTPSBSA,N,"TG(18:1(9Z)/18:0/18:3(6Z,9Z,12Z))",UZBLVYUHSFGJIV-OJASTPSBSA-N
HMDB49768,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,56H,4-15,17-18,20-24,27,29,31-55H2,1-3H3/b19-16-,28-25-,30-26-/t56-/m0/s1",RZKWZJCIFHVDEW,SCBUFYCBSA,N,TG(18:1(9Z)/18:0/20:2n6),RZKWZJCIFHVDEW-SCBUFYCBSA-N
HMDB49769,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,32,34,56H,4-15,17-18,20-24,27,29,31,33,35-55H2,1-3H3/b19-16-,28-25-,30-26-,34-32-/t56-/m0/s1",NWZCQBYTGBDWPS,MXCIIGDESA,N,TG(18:1(9Z)/18:0/20:3n6),NWZCQBYTGBDWPS-MXCIIGDESA-N
HMDB49770,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,32,34,40,43,56H,4-15,17-18,20-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1",GZYXFHYPAQZFKA,DTVWDEOFSA,N,"TG(18:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))",GZYXFHYPAQZFKA-DTVWDEOFSA-N
HMDB49771,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,32,58H,4-15,17-18,20-24,27,29-31,33-57H2,1-3H3/b19-16-,28-25-,32-26-/t58-/m0/s1",IFPSXJPVXFGDJF,DUKYPQHXSA,N,"TG(18:1(9Z)/18:0/22:2(13Z,16Z))",IFPSXJPVXFGDJF-DUKYPQHXSA-N
HMDB49772,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,30-32,36,39,58H,4-15,17-18,20-24,27,29,33-35,37-38,40-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,39-36-/t58-/m0/s1",AOXVTXAOZQMFCE,OEEMWFESSA,N,"TG(18:1(9Z)/18:0/22:4(7Z,10Z,13Z,16Z))",AOXVTXAOZQMFCE-OEEMWFESSA-N
HMDB49773,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,30-32,36,39,45,48,58H,4-15,17-18,20-24,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,39-36-,48-45-/t58-/m0/s1",PBVOLKHHNNHWKF,UBEKDQSSSA,N,"TG(18:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",PBVOLKHHNNHWKF-UBEKDQSSSA-N
HMDB49775,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,54H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-/t54-/m1/s1",XWWHTVUODKLIIT,GZJUGHSNSA,N,"TG(18:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z))",XWWHTVUODKLIIT-GZJUGHSNSA-N
HMDB49776,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,32,34,56H,4-6,8-9,11-15,17-18,20-24,27,29,31,33,35-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,34-32-/t56-/m0/s1",PDSJKSYXIQFLLL,WPQAEDDSSA,N,"TG(18:1(9Z)/18:0/20:4(8Z,11Z,14Z,17Z))",PDSJKSYXIQFLLL-WPQAEDDSSA-N
HMDB49777,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,32,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1",UPRSBDXNMVKHEQ,CFXUMSNKSA,N,"TG(18:1(9Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",UPRSBDXNMVKHEQ-CFXUMSNKSA-N
HMDB49778,934.798941124,C61H106O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30-32,36,39,58H,4-6,8-9,11-15,17-18,20-24,27,29,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,39-36-",PQFDCKIPMYARCX,PJZPHMSESA,N,"TG(18:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",PQFDCKIPMYARCX-PJZPHMSESA-N
HMDB49779,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30-32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,39-36-,48-45-/t58-/m0/s1",WPESWAXIXZMBGH,SMTJIYRBSA,N,"TG(18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WPESWAXIXZMBGH-SMTJIYRBSA-N
HMDB49780,874.835326642,C57H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,55H,4-25,27-28,30-54H2,1-3H3/b29-26-/t55-/m1/s1",PUKJHNUKDAALMG,OVDKEJHLSA,N,TG(18:1(9Z)/18:0/o-18:0),PUKJHNUKDAALMG-OVDKEJHLSA-N
HMDB49781,914.830241252,C59H110O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h26-27,30-31,56H,4-25,28-29,32-55H2,1-3H3/b30-26-,31-27-",LDVWBXGIAOXJKP,VUGPWPOLSA,N,TG(18:1(9Z)/20:0/18:1(9Z)),LDVWBXGIAOXJKP-VUGPWPOLSA-N
HMDB49783,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,32-33,36,42,45,58H,4-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b28-25-,32-27-,36-33-,45-42-/t58-/m0/s1",KLPBKIYPIXLUIY,XNXOMPFUSA,N,"TG(18:1(9Z)/20:0/20:3(5Z,8Z,11Z))",KLPBKIYPIXLUIY-XNXOMPFUSA-N
HMDB49784,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,34,60H,4-24,26,29-33,35-59H2,1-3H3/b28-25-,34-27-/t60-/m0/s1",WZWIOTYITIUOCJ,IZQICMPYSA,N,TG(18:1(9Z)/20:0/22:1(13Z)),WZWIOTYITIUOCJ-IZQICMPYSA-N
HMDB49785,998.924141648,C65H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25,27-28,36,62H,4-24,26,29-35,37-61H2,1-3H3/b28-25-,36-27-/t62-/m0/s1",HOSOIEBRNIUCHX,YVASRYOTSA,N,TG(18:1(9Z)/20:0/24:1(15Z)),HOSOIEBRNIUCHX-YVASRYOTSA-N
HMDB49786,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,26-27,30-31,56H,4-16,18-19,21-25,28-29,32-55H2,1-3H3/b20-17-,30-26-,31-27-/t56-/m1/s1",WXKTYWLZGLGMEM,HMKAPRTPSA,N,"TG(18:1(9Z)/20:0/18:2(9Z,12Z))",WXKTYWLZGLGMEM-HMKAPRTPSA-N
HMDB49787,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,26-27,30-31,36,39,56H,4-16,18-19,21-25,28-29,32-35,37-38,40-55H2,1-3H3/b20-17-,30-26-,31-27-,39-36-/t56-/m1/s1",NARGESZWFGQFFA,BPSMECEUSA,N,"TG(18:1(9Z)/20:0/18:3(6Z,9Z,12Z))",NARGESZWFGQFFA-BPSMECEUSA-N
HMDB49788,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32,58H,4-15,17-18,20-24,26,29-31,33-57H2,1-3H3/b19-16-,28-25-,32-27-/t58-/m0/s1",WAZXBESWUFNIKC,XIRNAJJQSA,N,TG(18:1(9Z)/20:0/20:2n6),WAZXBESWUFNIKC-XIRNAJJQSA-N
HMDB49789,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32-33,36,58H,4-15,17-18,20-24,26,29-31,34-35,37-57H2,1-3H3/b19-16-,28-25-,32-27-,36-33-/t58-/m0/s1",PTJRQGPURCBISX,WXXIOODTSA,N,TG(18:1(9Z)/20:0/20:3n6),PTJRQGPURCBISX-WXXIOODTSA-N
HMDB49791,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,34,60H,4-15,17-18,20-24,26,29-33,35-59H2,1-3H3/b19-16-,28-25-,34-27-/t60-/m0/s1",YNHHZPAROZOHCY,VQWJJQQVSA,N,"TG(18:1(9Z)/20:0/22:2(13Z,16Z))",YNHHZPAROZOHCY-VQWJJQQVSA-N
HMDB49792,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,38,41,60H,4-15,17-18,20-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,41-38-/t60-/m0/s1",BHETTXDAZXCFKF,FKMGPEFTSA,N,"TG(18:1(9Z)/20:0/22:4(7Z,10Z,13Z,16Z))",BHETTXDAZXCFKF-FKMGPEFTSA-N
HMDB49793,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,38,41,47,50,60H,4-15,17-18,20-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",FIEHEEYBLZIFLG,GRHYHTISSA,N,"TG(18:1(9Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",FIEHEEYBLZIFLG-GRHYHTISSA-N
HMDB49794,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,30-31,56H,4-7,9-10,12-16,18-19,21-25,28-29,32-55H2,1-3H3/b11-8-,20-17-,30-26-,31-27-/t56-/m1/s1",BXJHGSUBPXTNHE,VBCYELTASA,N,"TG(18:1(9Z)/20:0/18:3(9Z,12Z,15Z))",BXJHGSUBPXTNHE-VBCYELTASA-N
HMDB49795,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,30-31,36,39,56H,4-7,9-10,12-16,18-19,21-25,28-29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,30-26-,31-27-,39-36-/t56-/m1/s1",DSRPEFYPHUBMIE,FVWLGZQYSA,N,"TG(18:1(9Z)/20:0/18:4(6Z,9Z,12Z,15Z))",DSRPEFYPHUBMIE-FVWLGZQYSA-N
HMDB49796,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32-33,36,58H,4-6,8-9,11-15,17-18,20-24,26,29-31,34-35,37-57H2,1-3H3/b10-7-,19-16-,28-25-,32-27-,36-33-/t58-/m0/s1",ZYYUUWDWCAJLHE,NZUZZNAQSA,N,"TG(18:1(9Z)/20:0/20:4(8Z,11Z,14Z,17Z))",ZYYUUWDWCAJLHE-NZUZZNAQSA-N
HMDB49797,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32-33,36,42,45,58H,4-6,8-9,11-15,17-18,20-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,28-25-,32-27-,36-33-,45-42-/t58-/m0/s1",COOKQKDIDKRNDJ,DYAKOYNBSA,N,"TG(18:1(9Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",COOKQKDIDKRNDJ-DYAKOYNBSA-N
HMDB49798,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,38,41,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,41-38-/t60-/m0/s1",BOHGMMGUVPUWFF,WEMJJBFYSA,N,"TG(18:1(9Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",BOHGMMGUVPUWFF-WEMJJBFYSA-N
HMDB49799,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",KQSZISTWVAVCMI,LQHHXONWSA,N,"TG(18:1(9Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KQSZISTWVAVCMI-LQHHXONWSA-N
HMDB49800,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h27,31,57H,4-26,28-30,32-56H2,1-3H3/b31-27-/t57-/m1/s1",GOMDFFGKASVPBQ,LKKPSHJRSA,N,TG(18:1(9Z)/20:0/o-18:0),GOMDFFGKASVPBQ-LKKPSHJRSA-N
HMDB49801,942.86154138,C61H114O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h26-27,32-33,58H,4-25,28-31,34-57H2,1-3H3/b32-26-,33-27-",GQNCOCJLEFUUME,VBZQPFBYSA,N,TG(18:1(9Z)/22:0/18:1(9Z)),GQNCOCJLEFUUME-VBZQPFBYSA-N
HMDB49802,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34,60H,4-25,28,30-33,35-59H2,1-3H3/b29-26-,34-27-/t60-/m0/s1",DWPNGNRTDXKEOG,QSCXPPFOSA,N,TG(18:1(9Z)/22:0/20:1(11Z)),DWPNGNRTDXKEOG-QSCXPPFOSA-N
HMDB49803,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34-35,38,44,47,60H,4-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",AOUHOSSCVUKSAD,ALEQAAMJSA,N,"TG(18:1(9Z)/22:0/20:3(5Z,8Z,11Z))",AOUHOSSCVUKSAD-ALEQAAMJSA-N
HMDB49804,998.924141648,C65H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,36,62H,4-24,26,29-35,37-61H2,1-3H3/b28-25-,36-27-/t62-/m0/s1",PQEXZVJTQGWLMW,YVASRYOTSA,N,TG(18:1(9Z)/22:0/22:1(13Z)),PQEXZVJTQGWLMW-YVASRYOTSA-N
HMDB49805,1026.955441777,C67H126O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,38,64H,4-24,26,29-37,39-63H2,1-3H3/b28-25-,38-27-/t64-/m0/s1",JGXXNLHDMJTQHV,YFARTVLGSA,N,TG(18:1(9Z)/22:0/24:1(15Z)),JGXXNLHDMJTQHV-YFARTVLGSA-N
HMDB49806,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,26-27,32-33,58H,4-16,18-19,21-25,28-31,34-57H2,1-3H3/b20-17-,32-26-,33-27-/t58-/m1/s1",IHFWXPSVLCAYTA,NSOUBCFQSA,N,"TG(18:1(9Z)/22:0/18:2(9Z,12Z))",IHFWXPSVLCAYTA-NSOUBCFQSA-N
HMDB49807,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,26-27,32-33,38,41,58H,4-16,18-19,21-25,28-31,34-37,39-40,42-57H2,1-3H3/b20-17-,32-26-,33-27-,41-38-/t58-/m1/s1",UCHSMZOZHHHKTN,XAHZAFGXSA,N,"TG(18:1(9Z)/22:0/18:3(6Z,9Z,12Z))",UCHSMZOZHHHKTN-XAHZAFGXSA-N
HMDB49808,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,60H,4-16,18-19,21-25,28,30-33,35-59H2,1-3H3/b20-17-,29-26-,34-27-/t60-/m0/s1",KGLCIQWPEJNTLF,MPTAIMNVSA,N,TG(18:1(9Z)/22:0/20:2n6),KGLCIQWPEJNTLF-MPTAIMNVSA-N
HMDB49809,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34-35,38,60H,4-16,18-19,21-25,28,30-33,36-37,39-59H2,1-3H3/b20-17-,29-26-,34-27-,38-35-/t60-/m0/s1",PFBXBGIBHLCMFX,OCGDWDBGSA,N,TG(18:1(9Z)/22:0/20:3n6),PFBXBGIBHLCMFX-OCGDWDBGSA-N
HMDB49810,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34-35,38,44,47,60H,4-16,18-19,21-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",LMGNSHHFYGGMOJ,OTNUYYLHSA,N,"TG(18:1(9Z)/22:0/20:4(5Z,8Z,11Z,14Z))",LMGNSHHFYGGMOJ-OTNUYYLHSA-N
HMDB49811,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,36,62H,4-15,17-18,20-24,26,29-35,37-61H2,1-3H3/b19-16-,28-25-,36-27-/t62-/m0/s1",FAELMJBBSCTUIT,WJUFLDNDSA,N,"TG(18:1(9Z)/22:0/22:2(13Z,16Z))",FAELMJBBSCTUIT-WJUFLDNDSA-N
HMDB49812,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32,34,36,40,43,62H,4-15,17-18,20-24,26,29-31,33,35,37-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,34-32-,36-27-,43-40-/t62-/m0/s1",POAJVUFATQHKFU,MKHDJUJDSA,N,"TG(18:1(9Z)/22:0/22:4(7Z,10Z,13Z,16Z))",POAJVUFATQHKFU-MKHDJUJDSA-N
HMDB49813,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32,34,36,40,43,49,52,62H,4-15,17-18,20-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",JVSDFWWSPIRYLP,CRERPUBQSA,N,"TG(18:1(9Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",JVSDFWWSPIRYLP-CRERPUBQSA-N
HMDB49814,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,32-33,58H,4-7,9-10,12-16,18-19,21-25,28-31,34-57H2,1-3H3/b11-8-,20-17-,32-26-,33-27-/t58-/m1/s1",MSUBTQPZOUPMQD,NVQONJOPSA,N,"TG(18:1(9Z)/22:0/18:3(9Z,12Z,15Z))",MSUBTQPZOUPMQD-NVQONJOPSA-N
HMDB49815,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,32-33,38,41,58H,4-7,9-10,12-16,18-19,21-25,28-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,32-26-,33-27-,41-38-/t58-/m1/s1",MRYKFGUZPGUFOF,JYYHYCLCSA,N,"TG(18:1(9Z)/22:0/18:4(6Z,9Z,12Z,15Z))",MRYKFGUZPGUFOF-JYYHYCLCSA-N
HMDB49816,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34-35,38,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,36-37,39-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,38-35-/t60-/m0/s1",QZXIVAFCGWISDS,BKMKIOPFSA,N,"TG(18:1(9Z)/22:0/20:4(8Z,11Z,14Z,17Z))",QZXIVAFCGWISDS-BKMKIOPFSA-N
HMDB49817,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34-35,38,44,47,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",HAVPVXRAONEJBL,FUDXXLQYSA,N,"TG(18:1(9Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",HAVPVXRAONEJBL-FUDXXLQYSA-N
HMDB49818,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32,34,36,40,43,62H,4-6,8-9,11-15,17-18,20-24,26,29-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,36-27-,43-40-/t62-/m0/s1",AEMAZMANDPGKIK,JMEFHCHSSA,N,"TG(18:1(9Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",AEMAZMANDPGKIK-JMEFHCHSSA-N
HMDB49819,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",IYOSBGWGOCQZCN,IXXLVBHRSA,N,"TG(18:1(9Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IYOSBGWGOCQZCN-IXXLVBHRSA-N
HMDB49820,930.8979269,C61H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h27,33,59H,4-26,28-32,34-58H2,1-3H3/b33-27-/t59-/m1/s1",YEXDATFGNSSVSG,XEYQYPFISA,N,TG(18:1(9Z)/22:0/o-18:0),YEXDATFGNSSVSG-XEYQYPFISA-N
HMDB49821,970.892841508,C63H118O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h26-27,34-35,60H,4-25,28-33,36-59H2,1-3H3/b34-26-,35-27-",OAJSPZUBFWYCCY,NNBGLWHGSA,N,TG(18:1(9Z)/24:0/18:1(9Z)),OAJSPZUBFWYCCY-NNBGLWHGSA-N
HMDB49822,998.924141648,C65H122O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36,62H,4-25,28,30-35,37-61H2,1-3H3/b29-26-,36-27-/t62-/m0/s1",LOEUMPXMFLYLJO,AWAUNATPSA,N,TG(18:1(9Z)/24:0/20:1(11Z)),LOEUMPXMFLYLJO-AWAUNATPSA-N
HMDB49823,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36-37,40,46,49,62H,4-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b29-26-,36-27-,40-37-,49-46-/t62-/m0/s1",BXBIDRMAZMMBBP,YGIQLJOKSA,N,"TG(18:1(9Z)/24:0/20:3(5Z,8Z,11Z))",BXBIDRMAZMMBBP-YGIQLJOKSA-N
HMDB49824,1026.955441777,C67H126O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,38,64H,4-25,28,30-37,39-63H2,1-3H3/b29-26-,38-27-/t64-/m0/s1",DEBNXHNUVORXAK,GNYVGGGLSA,N,TG(18:1(9Z)/24:0/22:1(13Z)),DEBNXHNUVORXAK-GNYVGGGLSA-N
HMDB49825,1054.986741906,C69H130O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,40,66H,4-24,26,29-39,41-65H2,1-3H3/b28-25-,40-27-/t66-/m0/s1",YVWFWLVUBNGBPF,OGSWILSBSA,N,TG(18:1(9Z)/24:0/24:1(15Z)),YVWFWLVUBNGBPF-OGSWILSBSA-N
HMDB49826,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20,26-27,34-35,60H,4-16,18-19,21-25,28-33,36-59H2,1-3H3/b20-17-,34-26-,35-27-/t60-/m1/s1",ZRZVISWZVARYCM,QZWBWMDUSA,N,"TG(18:1(9Z)/24:0/18:2(9Z,12Z))",ZRZVISWZVARYCM-QZWBWMDUSA-N
HMDB49827,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20,26-27,34-35,40,43,60H,4-16,18-19,21-25,28-33,36-39,41-42,44-59H2,1-3H3/b20-17-,34-26-,35-27-,43-40-/t60-/m1/s1",XMFRBOAHYIOZTK,SDNRSMOOSA,N,"TG(18:1(9Z)/24:0/18:3(6Z,9Z,12Z))",XMFRBOAHYIOZTK-SDNRSMOOSA-N
HMDB49828,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36,62H,4-16,18-19,21-25,28,30-35,37-61H2,1-3H3/b20-17-,29-26-,36-27-/t62-/m0/s1",BSDNKUSPWDHGMH,ZRYYWIPBSA,N,TG(18:1(9Z)/24:0/20:2n6),BSDNKUSPWDHGMH-ZRYYWIPBSA-N
HMDB49829,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36-37,40,62H,4-16,18-19,21-25,28,30-35,38-39,41-61H2,1-3H3/b20-17-,29-26-,36-27-,40-37-/t62-/m0/s1",KGCFANYIMXKHBG,IBNGTUNOSA,N,TG(18:1(9Z)/24:0/20:3n6),KGCFANYIMXKHBG-IBNGTUNOSA-N
HMDB49830,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36-37,40,46,49,62H,4-16,18-19,21-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,29-26-,36-27-,40-37-,49-46-/t62-/m0/s1",JBWGIXXFDXHQDP,GDVBULIQSA,N,"TG(18:1(9Z)/24:0/20:4(5Z,8Z,11Z,14Z))",JBWGIXXFDXHQDP-GDVBULIQSA-N
HMDB49831,1024.939791713,C67H124O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,38,64H,4-16,18-19,21-25,28,30-37,39-63H2,1-3H3/b20-17-,29-26-,38-27-/t64-/m0/s1",AILDONQAAYGHDE,NYMDMTELSA,N,"TG(18:1(9Z)/24:0/22:2(13Z,16Z))",AILDONQAAYGHDE-NYMDMTELSA-N
HMDB49832,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,38,42,45,64H,4-16,18-19,21-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b20-17-,29-26-,36-34-,38-27-,45-42-/t64-/m0/s1",QDNCTRQLSQWJLM,RPKCMWJTSA,N,"TG(18:1(9Z)/24:0/22:4(7Z,10Z,13Z,16Z))",QDNCTRQLSQWJLM-RPKCMWJTSA-N
HMDB49833,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,38,42,45,51,54,64H,4-16,18-19,21-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,29-26-,36-34-,38-27-,45-42-,54-51-/t64-/m0/s1",PJIQIRGEJCEPOU,YSGYYFHQSA,N,"TG(18:1(9Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",PJIQIRGEJCEPOU-YSGYYFHQSA-N
HMDB49834,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,34-35,60H,4-7,9-10,12-16,18-19,21-25,28-33,36-59H2,1-3H3/b11-8-,20-17-,34-26-,35-27-/t60-/m1/s1",SEGAFXOOJWNDFX,NKNKUKIVSA,N,"TG(18:1(9Z)/24:0/18:3(9Z,12Z,15Z))",SEGAFXOOJWNDFX-NKNKUKIVSA-N
HMDB49835,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,34-35,40,43,60H,4-7,9-10,12-16,18-19,21-25,28-33,36-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,34-26-,35-27-,43-40-/t60-/m1/s1",ZZTHPXVKEQEQDW,GLXVKYISSA,N,"TG(18:1(9Z)/24:0/18:4(6Z,9Z,12Z,15Z))",ZZTHPXVKEQEQDW-GLXVKYISSA-N
HMDB49836,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36-37,40,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,38-39,41-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,40-37-/t62-/m0/s1",XQCCAOOBJYHBHG,AEHKAPRMSA,N,"TG(18:1(9Z)/24:0/20:4(8Z,11Z,14Z,17Z))",XQCCAOOBJYHBHG-AEHKAPRMSA-N
HMDB49837,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36-37,40,46,49,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,40-37-,49-46-/t62-/m0/s1",BQYCKDRDZXWTIO,HEJZAKGISA,N,"TG(18:1(9Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",BQYCKDRDZXWTIO-HEJZAKGISA-N
HMDB49838,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,38,42,45,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,38-27-,45-42-/t64-/m0/s1",KRBICHDOXSNZLO,OLEMLZPCSA,N,"TG(18:1(9Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",KRBICHDOXSNZLO-OLEMLZPCSA-N
HMDB49839,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,38,42,45,51,54,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,38-27-,45-42-,54-51-/t64-/m0/s1",FRLLHVTZPIQYOI,YWIPMZIGSA,N,"TG(18:1(9Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FRLLHVTZPIQYOI-YWIPMZIGSA-N
HMDB49840,958.929227028,C63H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h27,35,61H,4-26,28-34,36-60H2,1-3H3/b35-27-/t61-/m1/s1",KADMYKMUQFNYTD,KPUVNLRISA,N,TG(18:1(9Z)/24:0/o-18:0),KADMYKMUQFNYTD-KPUVNLRISA-N
HMDB49841,828.720690804,C53H96O6,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,50H,4-14,16-17,19-23,28-49H2,1-3H3/b18-15-,26-24-,27-25-",OCPPAGNFEJNUNC,JEDOZFSMSA,N,TG(18:1(9Z)/14:1(9Z)/18:1(9Z)),OCPPAGNFEJNUNC-JEDOZFSMSA-N
HMDB49842,856.75199094,C55H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24-26,28,52H,4-14,16-17,19-23,27,29-51H2,1-3H3/b18-15-,26-24-,28-25-/t52-/m0/s1",QBTDCDJQWFFVGF,GAAGLFOXSA,N,TG(18:1(9Z)/14:1(9Z)/20:1(11Z)),QBTDCDJQWFFVGF-GAAGLFOXSA-N
HMDB49843,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24-26,28-29,31,36,39,52H,4-14,16-17,19-23,27,30,32-35,37-38,40-51H2,1-3H3/b18-15-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1",SXSRTUPMLATBNN,WIKKIFFMSA,N,"TG(18:1(9Z)/14:1(9Z)/20:3(5Z,8Z,11Z))",SXSRTUPMLATBNN-WIKKIFFMSA-N
HMDB49844,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,24-26,30,54H,4-14,16-17,19-23,27-29,31-53H2,1-3H3/b18-15-,26-24-,30-25-/t54-/m0/s1",PREDIUAQXWFUMA,JEQUJCETSA,N,TG(18:1(9Z)/14:1(9Z)/22:1(13Z)),PREDIUAQXWFUMA-JEQUJCETSA-N
HMDB49845,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,24-26,32,56H,4-14,16-17,19-23,27-31,33-55H2,1-3H3/b18-15-,26-24-,32-25-/t56-/m0/s1",YNFMHUIRMDEDMT,JWLULGIHSA,N,TG(18:1(9Z)/14:1(9Z)/24:1(15Z)),YNFMHUIRMDEDMT-JWLULGIHSA-N
HMDB49846,826.705040747,C53H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,50H,4-14,17,20-23,28-49H2,1-3H3/b18-15-,19-16-,26-24-,27-25-/t50-/m1/s1",KYUIHDHQLYYFKD,UYVNSICISA,N,"TG(18:1(9Z)/14:1(9Z)/18:2(9Z,12Z))",KYUIHDHQLYYFKD-UYVNSICISA-N
HMDB49847,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,31,33,50H,4-14,17,20-23,28-30,32,34-49H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,33-31-/t50-/m1/s1",CUFVJCBCBCEQKX,STRVFOFLSA,N,"TG(18:1(9Z)/14:1(9Z)/18:3(6Z,9Z,12Z))",CUFVJCBCBCEQKX-STRVFOFLSA-N
HMDB49848,854.736340876,C55H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28,52H,4-14,17,20-23,27,29-51H2,1-3H3/b18-15-,19-16-,26-24-,28-25-/t52-/m0/s1",YUVZHJOWVCSUGC,CUCXGRSDSA,N,TG(18:1(9Z)/14:1(9Z)/20:2n6),YUVZHJOWVCSUGC-CUCXGRSDSA-N
HMDB49849,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-29,31,52H,4-14,17,20-23,27,30,32-51H2,1-3H3/b18-15-,19-16-,26-24-,28-25-,31-29-/t52-/m0/s1",NRVWPUNQTJDNID,BWMZTZCRSA,N,TG(18:1(9Z)/14:1(9Z)/20:3n6),NRVWPUNQTJDNID-BWMZTZCRSA-N
HMDB49850,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-29,31,36,39,52H,4-14,17,20-23,27,30,32-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1",HHBBFTIWMPWXHP,WGEVJYOXSA,N,"TG(18:1(9Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",HHBBFTIWMPWXHP-WGEVJYOXSA-N
HMDB49851,882.767641004,C57H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,30,54H,4-14,17,20-23,27-29,31-53H2,1-3H3/b18-15-,19-16-,26-24-,30-25-/t54-/m0/s1",YVYVTNJRAGMXOD,CPRBWVNASA,N,"TG(18:1(9Z)/14:1(9Z)/22:2(13Z,16Z))",YVYVTNJRAGMXOD-CPRBWVNASA-N
HMDB49852,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,33,36,54H,4-14,17,20-23,27,31-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",VOHFDRCPYUXNEA,LNWWQZORSA,N,"TG(18:1(9Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",VOHFDRCPYUXNEA-LNWWQZORSA-N
HMDB49853,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,33,36,41,44,54H,4-14,17,20-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m0/s1",IFVIUOMGOMQXRY,AWOHRFAVSA,N,"TG(18:1(9Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IFVIUOMGOMQXRY-AWOHRFAVSA-N
HMDB49854,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,50H,4-6,8-9,11-14,17,20-23,28-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-/t50-/m1/s1",MUXZIAQDWXTEIE,ISHHVACLSA,N,"TG(18:1(9Z)/14:1(9Z)/18:3(9Z,12Z,15Z))",MUXZIAQDWXTEIE-ISHHVACLSA-N
HMDB49855,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,31,33,50H,4-6,8-9,11-14,17,20-23,28-30,32,34-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,33-31-/t50-/m1/s1",ZQIUPSUIMUPLAS,TVDCWOGHSA,N,"TG(18:1(9Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",ZQIUPSUIMUPLAS-TVDCWOGHSA-N
HMDB49856,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-29,31,52H,4-6,8-9,11-14,17,20-23,27,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,28-25-,31-29-/t52-/m0/s1",YRDGFYHDUPDTBV,DFYZZGJESA,N,"TG(18:1(9Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",YRDGFYHDUPDTBV-DFYZZGJESA-N
HMDB49857,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-29,31,36,39,52H,4-6,8-9,11-14,17,20-23,27,30,32-35,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1",YCYLDYYDYXYWAR,VCWNDKKMSA,N,"TG(18:1(9Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YCYLDYYDYXYWAR-VCWNDKKMSA-N
HMDB49858,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,33,36,54H,4-6,8-9,11-14,17,20-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",MUPFGBJXYHTZIR,NTHGLLBBSA,N,"TG(18:1(9Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MUPFGBJXYHTZIR-NTHGLLBBSA-N
HMDB49859,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,33,36,41,44,54H,4-6,8-9,11-14,17,20-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m0/s1",KGSAOKZBHSKNBD,BKLSBKHSSA,N,"TG(18:1(9Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KGSAOKZBHSKNBD-BKLSBKHSSA-N
HMDB49860,816.75707632,C53H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,51H,4-14,16-17,19-24,26,28-50H2,1-3H3/b18-15-,27-25-/t51-/m1/s1",RCYYBOKUGVIQKZ,KHBXOQJOSA,N,TG(18:1(9Z)/14:1(9Z)/o-18:0),RCYYBOKUGVIQKZ-KHBXOQJOSA-N
HMDB49861,856.751990932,C55H100O6,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,52H,4-20,22-23,29-51H2,1-3H3/b24-21-,27-25-,28-26-",VCABCCITBXMTKG,CABVQDRLSA,N,TG(18:1(9Z)/16:1(9Z)/18:1(9Z)),VCABCCITBXMTKG-CABVQDRLSA-N
HMDB49862,884.783291069,C57H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-27,29,54H,4-20,22-23,28,30-53H2,1-3H3/b24-21-,27-25-,29-26-/t54-/m0/s1",PFIMEBGCGUJFNB,XYSPBAOWSA,N,TG(18:1(9Z)/16:1(9Z)/20:1(11Z)),PFIMEBGCGUJFNB-XYSPBAOWSA-N
HMDB49863,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-27,29-30,33,38,41,54H,4-20,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1",SRKCJTCWCCPZMA,ZNLZJBMVSA,N,"TG(18:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))",SRKCJTCWCCPZMA-ZNLZJBMVSA-N
HMDB49864,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h21,24-27,31,56H,4-20,22-23,28-30,32-55H2,1-3H3/b24-21-,27-25-,31-26-/t56-/m0/s1",FIZAWPVAHKFWFC,KGBPUBIISA,N,TG(18:1(9Z)/16:1(9Z)/22:1(13Z)),FIZAWPVAHKFWFC-KGBPUBIISA-N
HMDB49865,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h21,24-27,33,58H,4-20,22-23,28-32,34-57H2,1-3H3/b24-21-,27-25-,33-26-/t58-/m0/s1",YEJRDTNJGBHPRE,LTOBCQMGSA,N,TG(18:1(9Z)/16:1(9Z)/24:1(15Z)),YEJRDTNJGBHPRE-LTOBCQMGSA-N
HMDB49866,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,52H,4-15,17-18,20,22-23,29-51H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t52-/m1/s1",CUOXTZDVDAUQGF,HNJDVRDNSA,N,"TG(18:1(9Z)/16:1(9Z)/18:2(9Z,12Z))",CUOXTZDVDAUQGF-HNJDVRDNSA-N
HMDB49867,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,32,35,52H,4-15,17-18,20,22-23,29-31,33-34,36-51H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,35-32-/t52-/m1/s1",XFZASIKJCCDVQE,ZBFKJNBGSA,N,"TG(18:1(9Z)/16:1(9Z)/18:3(6Z,9Z,12Z))",XFZASIKJCCDVQE-ZBFKJNBGSA-N
HMDB49868,882.767641004,C57H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29,54H,4-15,17-18,20,22-23,28,30-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-/t54-/m0/s1",MVWHBFFHLYXZJQ,UDEYGTCASA,N,TG(18:1(9Z)/16:1(9Z)/20:2n6),MVWHBFFHLYXZJQ-UDEYGTCASA-N
HMDB49869,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-30,33,54H,4-15,17-18,20,22-23,28,31-32,34-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-,33-30-/t54-/m0/s1",CPINNDOHYCSUGR,DVKFFMGFSA,N,TG(18:1(9Z)/16:1(9Z)/20:3n6),CPINNDOHYCSUGR-DVKFFMGFSA-N
HMDB49870,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-30,33,38,41,54H,4-15,17-18,20,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1",CCQKROINJDGLRI,MXSUFVABSA,N,"TG(18:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",CCQKROINJDGLRI-MXSUFVABSA-N
HMDB49871,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,31,56H,4-15,17-18,20,22-23,28-30,32-55H2,1-3H3/b19-16-,24-21-,27-25-,31-26-/t56-/m0/s1",WPXKSUXJMYEPGP,SPAHKKQHSA,N,"TG(18:1(9Z)/16:1(9Z)/22:2(13Z,16Z))",WPXKSUXJMYEPGP-SPAHKKQHSA-N
HMDB49872,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,35,37,56H,4-15,17-18,20,22-23,28,32-34,36,38-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,37-35-/t56-/m0/s1",LBKAKBHHYKCDNS,XTBLBXBZSA,N,"TG(18:1(9Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",LBKAKBHHYKCDNS-XTBLBXBZSA-N
HMDB49873,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,35,37,43,46,56H,4-15,17-18,20,22-23,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m0/s1",MHXGMPZQZQFBLF,GQVRFJMKSA,N,"TG(18:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MHXGMPZQZQFBLF-GQVRFJMKSA-N
HMDB49874,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,52H,4-6,8-9,11-15,17-18,20,22-23,29-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-/t52-/m1/s1",ZEKFRROIYZYMJB,YUXMUTLDSA,N,"TG(18:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",ZEKFRROIYZYMJB-YUXMUTLDSA-N
HMDB49875,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,32,35,52H,4-6,8-9,11-15,17-18,20,22-23,29-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,35-32-/t52-/m1/s1",FRMAKGVQZVGRTN,VEASLXPTSA,N,"TG(18:1(9Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",FRMAKGVQZVGRTN-VEASLXPTSA-N
HMDB49876,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,33,54H,4-6,8-9,11-15,17-18,20,22-23,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,33-30-/t54-/m0/s1",QBXUPJMDDDGJNG,CZDIHXNQSA,N,"TG(18:1(9Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",QBXUPJMDDDGJNG-CZDIHXNQSA-N
HMDB49877,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,33,38,41,54H,4-6,8-9,11-15,17-18,20,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1",LWDFDMGUEZANHL,GZRRNOHOSA,N,"TG(18:1(9Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LWDFDMGUEZANHL-GZRRNOHOSA-N
HMDB49878,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-31,35,37,56H,4-6,8-9,11-15,17-18,20,22-23,28,32-34,36,38-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,31-26-,37-35-/t56-/m0/s1",GVOMAJKMFSBHOM,HFLQFCADSA,N,"TG(18:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GVOMAJKMFSBHOM-HFLQFCADSA-N
HMDB49879,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-31,35,37,43,46,56H,4-6,8-9,11-15,17-18,20,22-23,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m0/s1",DUXDMGBAIISWLO,DIKJQJJUSA,N,"TG(18:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DUXDMGBAIISWLO-DIKJQJJUSA-N
HMDB49880,844.788376449,C55H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,53H,4-20,22-23,25,27,29-52H2,1-3H3/b24-21-,28-26-/t53-/m1/s1",SCBACHTYIQNQJX,AWGYGYDPSA,N,TG(18:1(9Z)/16:1(9Z)/o-18:0),SCBACHTYIQNQJX-AWGYGYDPSA-N
HMDB49882,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24-26,28,30,56H,4-20,22-23,27,29,31-55H2,1-3H3/b24-21-,28-25-,30-26-/t56-/m0/s1",VEOVLFBKKMGGBT,PNSIWLCJSA,N,TG(18:1(9Z)/18:1(11Z)/20:1(11Z)),VEOVLFBKKMGGBT-PNSIWLCJSA-N
HMDB49883,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24-26,28,30,32,34,40,43,56H,4-20,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1",AMEIEKPQGDLWRP,BEPGXJGISA,N,"TG(18:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z))",AMEIEKPQGDLWRP-BEPGXJGISA-N
HMDB49884,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h21,24-26,28,32,58H,4-20,22-23,27,29-31,33-57H2,1-3H3/b24-21-,28-25-,32-26-/t58-/m0/s1",PDJWMOMYSOZUKA,QLKRBTNSSA,N,TG(18:1(9Z)/18:1(11Z)/22:1(13Z)),PDJWMOMYSOZUKA-QLKRBTNSSA-N
HMDB49885,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h21,24-26,28,34,60H,4-20,22-23,27,29-33,35-59H2,1-3H3/b24-21-,28-25-,34-26-/t60-/m0/s1",DJUZUKMVZZOHPA,YPSFEINCSA,N,TG(18:1(9Z)/18:1(11Z)/24:1(15Z)),DJUZUKMVZZOHPA-YPSFEINCSA-N
HMDB49887,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,34,37,54H,4-15,17-18,20,22-23,27,30-33,35-36,38-53H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,37-34-/t54-/m1/s1",MSQGSTKKOSEGDB,FGYPPILCSA,N,"TG(18:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))",MSQGSTKKOSEGDB-FGYPPILCSA-N
HMDB49888,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,30,56H,4-15,17-18,20,22-23,27,29,31-55H2,1-3H3/b19-16-,24-21-,28-25-,30-26-/t56-/m0/s1",WBCBZJFPFQDPCZ,WROGRJEASA,N,TG(18:1(9Z)/18:1(11Z)/20:2n6),WBCBZJFPFQDPCZ-WROGRJEASA-N
HMDB49889,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,30,32,34,56H,4-15,17-18,20,22-23,27,29,31,33,35-55H2,1-3H3/b19-16-,24-21-,28-25-,30-26-,34-32-/t56-/m0/s1",ILDCUSRLFSWCRA,JESVLPIJSA,N,TG(18:1(9Z)/18:1(11Z)/20:3n6),ILDCUSRLFSWCRA-JESVLPIJSA-N
HMDB49890,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,30,32,34,40,43,56H,4-15,17-18,20,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1",RLGGBOJFCDRIBA,URYOLSNISA,N,"TG(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",RLGGBOJFCDRIBA-URYOLSNISA-N
HMDB49891,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,32,58H,4-15,17-18,20,22-23,27,29-31,33-57H2,1-3H3/b19-16-,24-21-,28-25-,32-26-/t58-/m0/s1",VJJRELRGCGHSSN,WUNIUEMGSA,N,"TG(18:1(9Z)/18:1(11Z)/22:2(13Z,16Z))",VJJRELRGCGHSSN-WUNIUEMGSA-N
HMDB49892,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,30-32,36,39,58H,4-15,17-18,20,22-23,27,29,33-35,37-38,40-57H2,1-3H3/b19-16-,24-21-,28-25-,31-30-,32-26-,39-36-/t58-/m0/s1",PZQBPNKHMMPUHE,AVYLPIKRSA,N,"TG(18:1(9Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",PZQBPNKHMMPUHE-AVYLPIKRSA-N
HMDB49893,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,30-32,36,39,45,48,58H,4-15,17-18,20,22-23,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,28-25-,31-30-,32-26-,39-36-,48-45-/t58-/m0/s1",HRHYGAINBKCGCC,FMGAPPHOSA,N,"TG(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HRHYGAINBKCGCC-FMGAPPHOSA-N
HMDB49894,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,54H,4-6,8-9,11-15,17-18,20,22-23,27,30-53H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-/t54-/m1/s1",LBRUZFUQXUCAIU,GJPVFJSGSA,N,"TG(18:1(9Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",LBRUZFUQXUCAIU-GJPVFJSGSA-N
HMDB49895,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,34,37,54H,4-6,8-9,11-15,17-18,20,22-23,27,30-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,37-34-/t54-/m1/s1",RMHJCYJAMIOOGI,KQPNQFEPSA,N,"TG(18:1(9Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",RMHJCYJAMIOOGI-KQPNQFEPSA-N
HMDB49896,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,30,32,34,56H,4-6,8-9,11-15,17-18,20,22-23,27,29,31,33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,30-26-,34-32-/t56-/m0/s1",PCUDSMWMTKWEGQ,CMFGFPRSSA,N,"TG(18:1(9Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",PCUDSMWMTKWEGQ-CMFGFPRSSA-N
HMDB49897,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,30,32,34,40,43,56H,4-6,8-9,11-15,17-18,20,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1",GZVMGSGJPSPLAQ,BBFDYENGSA,N,"TG(18:1(9Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",GZVMGSGJPSPLAQ-BBFDYENGSA-N
HMDB49898,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,30-32,36,39,58H,4-6,8-9,11-15,17-18,20,22-23,27,29,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,31-30-,32-26-,39-36-/t58-/m0/s1",GWMMAVQGXRTQMS,IAHGIRFLSA,N,"TG(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GWMMAVQGXRTQMS-IAHGIRFLSA-N
HMDB49899,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,30-32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,31-30-,32-26-,39-36-,48-45-/t58-/m0/s1",KACKQGCDGGHIAX,DAYZLOQESA,N,"TG(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KACKQGCDGGHIAX-DAYZLOQESA-N
HMDB49900,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,55H,4-20,22-23,25,27-28,30-54H2,1-3H3/b24-21-,29-26-/t55-/m1/s1",HOBVFWBPKZZJDS,CMEJSUTGSA,N,TG(18:1(9Z)/18:1(11Z)/o-18:0),HOBVFWBPKZZJDS-CMEJSUTGSA-N
HMDB49905,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h25-28,34-35,60H,4-24,29-33,36-59H2,1-3H3/b28-25-,34-26-,35-27-/t60-/m0/s1",PHZQINHSUNAFFE,YSOQIWIBSA,N,TG(18:1(9Z)/18:1(9Z)/24:1(15Z)),PHZQINHSUNAFFE-YSOQIWIBSA-N
HMDB49908,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-31,56H,4-15,17-18,20-24,29,32-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-/t56-/m0/s1",SQBMPFCSSGSZFV,CFJWCJEASA,N,TG(18:1(9Z)/18:1(9Z)/20:2n6),SQBMPFCSSGSZFV-CFJWCJEASA-N
HMDB49909,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-32,34,56H,4-15,17-18,20-24,29,33,35-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",JPZGZSPDZHKRKR,HFRMDMPHSA,N,TG(18:1(9Z)/18:1(9Z)/20:3n6),JPZGZSPDZHKRKR-HFRMDMPHSA-N
HMDB49911,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-28,32-33,58H,4-15,17-18,20-24,29-31,34-57H2,1-3H3/b19-16-,28-25-,32-26-,33-27-/t58-/m0/s1",MLHXDLRLDMFNPU,VPSBVNDRSA,N,"TG(18:1(9Z)/18:1(9Z)/22:2(13Z,16Z))",MLHXDLRLDMFNPU-VPSBVNDRSA-N
HMDB49913,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-33,36,39,45,48,58H,4-15,17-18,20-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m0/s1",YAHSICZWUXFHOQ,QEIDAEMWSA,N,"TG(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YAHSICZWUXFHOQ-QEIDAEMWSA-N
HMDB49915,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,37,54H,4-6,8-9,11-15,17-18,20-24,31-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-/t54-/m1/s1",LXSVMCLLFGNHGU,JTWCGTILSA,N,"TG(18:1(9Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",LXSVMCLLFGNHGU-JTWCGTILSA-N
HMDB49916,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30-32,34,56H,4-6,8-9,11-15,17-18,20-24,29,33,35-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",LWFHQFIZUUUVSB,OYEZXICPSA,N,"TG(18:1(9Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",LWFHQFIZUUUVSB-OYEZXICPSA-N
HMDB49920,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,55H,4-25,28,31-54H2,1-3H3/b29-26-,30-27-/t55-/m1/s1",OJWXCNKRIMWLSH,PAMRDINXSA,N,TG(18:1(9Z)/18:1(9Z)/o-18:0),OJWXCNKRIMWLSH-PAMRDINXSA-N
HMDB49921,912.814591188,C59H108O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25-28,30-31,56H,4-24,29,32-55H2,1-3H3/b28-25-,30-26-,31-27-",WJKZIJHKAZLMJK,DCKNSECYSA,N,TG(18:1(9Z)/20:1(11Z)/18:1(9Z)),WJKZIJHKAZLMJK-DCKNSECYSA-N
HMDB49923,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,32-33,36,42,45,58H,4-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m0/s1",KOBCVZMVYACTCH,FZONBOKJSA,N,"TG(18:1(9Z)/20:1(11Z)/20:3(5Z,8Z,11Z))",KOBCVZMVYACTCH-FZONBOKJSA-N
HMDB49924,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-29,34,60H,4-24,30-33,35-59H2,1-3H3/b28-25-,29-26-,34-27-/t60-/m0/s1",AOIVCCSFBIWNFL,MEYRNFQCSA,N,TG(18:1(9Z)/20:1(11Z)/22:1(13Z)),AOIVCCSFBIWNFL-MEYRNFQCSA-N
HMDB49925,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25-29,36,62H,4-24,30-35,37-61H2,1-3H3/b28-25-,29-26-,36-27-/t62-/m0/s1",LAPGFPWNXYRAKU,YUDMOGFUSA,N,TG(18:1(9Z)/20:1(11Z)/24:1(15Z)),LAPGFPWNXYRAKU-YUDMOGFUSA-N
HMDB49926,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-28,30-31,56H,4-16,18-19,21-24,29,32-55H2,1-3H3/b20-17-,28-25-,30-26-,31-27-/t56-/m1/s1",RHGAXCJSYVVFNV,PKNLDCQQSA,N,"TG(18:1(9Z)/20:1(11Z)/18:2(9Z,12Z))",RHGAXCJSYVVFNV-PKNLDCQQSA-N
HMDB49927,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-28,30-31,36,39,56H,4-16,18-19,21-24,29,32-35,37-38,40-55H2,1-3H3/b20-17-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",QLKODZJVABSWFI,UANXXUFXSA,N,"TG(18:1(9Z)/20:1(11Z)/18:3(6Z,9Z,12Z))",QLKODZJVABSWFI-UANXXUFXSA-N
HMDB49928,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32,58H,4-15,17-18,20-24,30-31,33-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-/t58-/m0/s1",ULBTVPHSXKRJBN,MWJFSITCSA,N,TG(18:1(9Z)/20:1(11Z)/20:2n6),ULBTVPHSXKRJBN-MWJFSITCSA-N
HMDB49929,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-33,36,58H,4-15,17-18,20-24,30-31,34-35,37-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,36-33-/t58-/m0/s1",XOXAJOZGWQYLPR,VMOCZUNESA,N,TG(18:1(9Z)/20:1(11Z)/20:3n6),XOXAJOZGWQYLPR-VMOCZUNESA-N
HMDB49931,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,34,60H,4-15,17-18,20-24,30-33,35-59H2,1-3H3/b19-16-,28-25-,29-26-,34-27-/t60-/m0/s1",NTSBPGZUJBXBSL,LNSYPENWSA,N,"TG(18:1(9Z)/20:1(11Z)/22:2(13Z,16Z))",NTSBPGZUJBXBSL-LNSYPENWSA-N
HMDB49932,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,38,41,60H,4-15,17-18,20-24,30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",AKPFCWNOANKGPU,VBCVAJELSA,N,"TG(18:1(9Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",AKPFCWNOANKGPU-VBCVAJELSA-N
HMDB49933,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,38,41,47,50,60H,4-15,17-18,20-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",PSUBFTTYDUDTOP,PHBFQLJFSA,N,"TG(18:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PSUBFTTYDUDTOP-PHBFQLJFSA-N
HMDB49934,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,30-31,56H,4-7,9-10,12-16,18-19,21-24,29,32-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-/t56-/m1/s1",XLLGBKVJOBYYQB,FHFCNVHSSA,N,"TG(18:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",XLLGBKVJOBYYQB-FHFCNVHSSA-N
HMDB49935,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,30-31,36,39,56H,4-7,9-10,12-16,18-19,21-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",RODWDVUWRKVYSP,FWGXGOSYSA,N,"TG(18:1(9Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",RODWDVUWRKVYSP-FWGXGOSYSA-N
HMDB49936,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-33,36,58H,4-6,8-9,11-15,17-18,20-24,30-31,34-35,37-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,36-33-/t58-/m0/s1",XJGWBQMDOPOKEY,CKKUZBTMSA,N,"TG(18:1(9Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",XJGWBQMDOPOKEY-CKKUZBTMSA-N
HMDB49937,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-33,36,42,45,58H,4-6,8-9,11-15,17-18,20-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m0/s1",KBUOEZHRSPCXIL,MECJZGKLSA,N,"TG(18:1(9Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KBUOEZHRSPCXIL-MECJZGKLSA-N
HMDB49938,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,38,41,60H,4-6,8-9,11-15,17-18,20-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",LXDADDCCBGDHCC,ZWMWVCAWSA,N,"TG(18:1(9Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LXDADDCCBGDHCC-ZWMWVCAWSA-N
HMDB49939,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",YNFNQTHMVAZPPY,DKSTYILTSA,N,"TG(18:1(9Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YNFNQTHMVAZPPY-DKSTYILTSA-N
HMDB49940,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,27-28,31,57H,4-24,26,29-30,32-56H2,1-3H3/b28-25-,31-27-/t57-/m1/s1",MWZGBHBJOPROOU,LFAHWVCXSA,N,TG(18:1(9Z)/20:1(11Z)/o-18:0),MWZGBHBJOPROOU-LFAHWVCXSA-N
HMDB49941,908.78329106,C59H104O6,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25-28,30-32,35,41,44,56H,4-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b28-25-,30-26-,31-27-,35-32-,44-41-",UTUVQPOHCHWCPM,QBNMLMNFSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))",UTUVQPOHCHWCPM-QBNMLMNFSA-N
HMDB49942,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,32,34,37,43,46,58H,4-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b28-25-,29-26-,32-27-,37-34-,46-43-/t58-/m0/s1",CRCQDTOJGFLASB,YUPRQJFQSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:1(11Z))",CRCQDTOJGFLASB-YUPRQJFQSA-N
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HMDB49945,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25-29,36,38,41,47,50,62H,4-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b28-25-,29-26-,36-27-,41-38-,50-47-/t62-/m0/s1",ZSOUMCNULFDQFX,WXDMIMLBSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/24:1(15Z))",ZSOUMCNULFDQFX-WXDMIMLBSA-N
HMDB49946,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-28,30-32,35,41,44,56H,4-16,18-19,21-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b20-17-,28-25-,30-26-,31-27-,35-32-,44-41-/t56-/m1/s1",RRUAHKLAPPWWOC,JCKAENOPSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",RRUAHKLAPPWWOC-JCKAENOPSA-N
HMDB49947,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-28,30-32,35-36,39,41,44,56H,4-16,18-19,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1",HPKARLJCKXPXOO,VKELXHNFSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",HPKARLJCKXPXOO-VKELXHNFSA-N
HMDB49948,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32,34,37,43,46,58H,4-15,17-18,20-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,37-34-,46-43-/t58-/m0/s1",ITGFNYWYVIXNRW,KEWFBMSUSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:2n6)",ITGFNYWYVIXNRW-KEWFBMSUSA-N
HMDB49949,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-34,36-37,43,46,58H,4-15,17-18,20-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-/t58-/m0/s1",KRDPEUNQCQGKPH,BQUJWATRSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:3n6)",KRDPEUNQCQGKPH-BQUJWATRSA-N
HMDB49950,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-34,36-37,42-43,45-46,58H,4-15,17-18,20-24,30-31,35,38-41,44,47-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",BLWRDHBDFIPELD,KNGIHDRPSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",BLWRDHBDFIPELD-KNGIHDRPSA-N
HMDB49951,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,34,36,39,45,48,60H,4-15,17-18,20-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m0/s1",XNFUACYEWNBQLH,MLXJOYFXSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",XNFUACYEWNBQLH-MLXJOYFXSA-N
HMDB49952,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,36,38-39,41,45,48,60H,4-15,17-18,20-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-/t60-/m0/s1",RBFZLZMJOWEYIX,RFDSRFODSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",RBFZLZMJOWEYIX-RFDSRFODSA-N
HMDB49953,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-15,17-18,20-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",VACJTARUJZHQTP,BYMLDMINSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VACJTARUJZHQTP-BYMLDMINSA-N
HMDB49954,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,30-32,35,41,44,56H,4-7,9-10,12-16,18-19,21-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,35-32-,44-41-/t56-/m1/s1",HQCHDHSZDXFTEF,WHEXETTLSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",HQCHDHSZDXFTEF-WHEXETTLSA-N
HMDB49955,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,30-32,35-36,39,41,44,56H,4-7,9-10,12-16,18-19,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1",QSCWIDULYCAAKD,DIWYLCTDSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",QSCWIDULYCAAKD-DIWYLCTDSA-N
HMDB49956,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-34,36-37,43,46,58H,4-6,8-9,11-15,17-18,20-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-/t58-/m0/s1",BRXYRMHWEAZUPV,LQQVKJBNSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",BRXYRMHWEAZUPV-LQQVKJBNSA-N
HMDB49957,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,17-18,20-24,30-31,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",WKRIAKULGYHJSF,OOMJYVQXSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WKRIAKULGYHJSF-OOMJYVQXSA-N
HMDB49958,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,36,38-39,41,45,48,60H,4-6,8-9,11-15,17-18,20-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-/t60-/m0/s1",YCULQDJFVHNAEQ,HFOOQYDRSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YCULQDJFVHNAEQ-HFOOQYDRSA-N
HMDB49959,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-6,8-9,11-15,17-18,20-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",SDWMHLZEAPLCIQ,IVOGKTBOSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SDWMHLZEAPLCIQ-IVOGKTBOSA-N
HMDB49960,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,27-28,31-32,35,41,44,57H,4-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b28-25-,31-27-,35-32-,44-41-/t57-/m1/s1",HVGWCIUDDRASAS,WIZZFOSLSA,N,"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/o-18:0)",HVGWCIUDDRASAS-WIZZFOSLSA-N
HMDB49961,940.845891316,C61H112O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25-28,32-33,58H,4-24,29-31,34-57H2,1-3H3/b28-25-,32-26-,33-27-",LQYKKZORBDYUKT,KDNOBURDSA,N,TG(18:1(9Z)/22:1(13Z)/18:1(9Z)),LQYKKZORBDYUKT-KDNOBURDSA-N
HMDB49962,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-29,34,60H,4-24,30-33,35-59H2,1-3H3/b28-25-,29-26-,34-27-/t60-/m0/s1",OTXDGHXQYRYHDV,MEYRNFQCSA,N,TG(18:1(9Z)/22:1(13Z)/20:1(11Z)),OTXDGHXQYRYHDV-MEYRNFQCSA-N
HMDB49963,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-29,34-35,38,44,47,60H,4-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",XODZXKPANKDXHP,FBVKJMAOSA,N,"TG(18:1(9Z)/22:1(13Z)/20:3(5Z,8Z,11Z))",XODZXKPANKDXHP-FBVKJMAOSA-N
HMDB49964,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-29,36,62H,4-24,30-35,37-61H2,1-3H3/b28-25-,29-26-,36-27-/t62-/m0/s1",GZZYBPSYMRMTJW,YUDMOGFUSA,N,TG(18:1(9Z)/22:1(13Z)/22:1(13Z)),GZZYBPSYMRMTJW-YUDMOGFUSA-N
HMDB49965,1024.939791713,C67H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,38,64H,4-24,30-37,39-63H2,1-3H3/b28-25-,29-26-,38-27-/t64-/m0/s1",IVBAIXXPYSZCSH,UFLHTENWSA,N,TG(18:1(9Z)/22:1(13Z)/24:1(15Z)),IVBAIXXPYSZCSH-UFLHTENWSA-N
HMDB49966,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,25-28,32-33,58H,4-16,18-19,21-24,29-31,34-57H2,1-3H3/b20-17-,28-25-,32-26-,33-27-/t58-/m1/s1",COGBIGLYXFERSM,QKDFGVCKSA,N,"TG(18:1(9Z)/22:1(13Z)/18:2(9Z,12Z))",COGBIGLYXFERSM-QKDFGVCKSA-N
HMDB49967,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,25-28,32-33,38,41,58H,4-16,18-19,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b20-17-,28-25-,32-26-,33-27-,41-38-/t58-/m1/s1",IGEWXVPOMANRHJ,XTKHRPQPSA,N,"TG(18:1(9Z)/22:1(13Z)/18:3(6Z,9Z,12Z))",IGEWXVPOMANRHJ-XTKHRPQPSA-N
HMDB49968,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,60H,4-16,18-19,21-24,30-33,35-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-/t60-/m0/s1",OSQJHCZDNGROLT,UBCHDMNKSA,N,TG(18:1(9Z)/22:1(13Z)/20:2n6),OSQJHCZDNGROLT-UBCHDMNKSA-N
HMDB49969,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34-35,38,60H,4-16,18-19,21-24,30-33,36-37,39-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,38-35-/t60-/m0/s1",HWLVTNCWIOTLSO,SVXBYQQZSA,N,TG(18:1(9Z)/22:1(13Z)/20:3n6),HWLVTNCWIOTLSO-SVXBYQQZSA-N
HMDB49970,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34-35,38,44,47,60H,4-16,18-19,21-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",YXUAESIHENABSF,WUTBZMDUSA,N,"TG(18:1(9Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",YXUAESIHENABSF-WUTBZMDUSA-N
HMDB49971,994.89284152,C65H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,36,62H,4-15,17-18,20-24,30-35,37-61H2,1-3H3/b19-16-,28-25-,29-26-,36-27-/t62-/m0/s1",XYSMPACBTGBIPK,MWGHANIVSA,N,"TG(18:1(9Z)/22:1(13Z)/22:2(13Z,16Z))",XYSMPACBTGBIPK-MWGHANIVSA-N
HMDB49972,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32,34,36,40,43,62H,4-15,17-18,20-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,36-27-,43-40-/t62-/m0/s1",IIKZCAVMHZKAJC,SLAOLUKTSA,N,"TG(18:1(9Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",IIKZCAVMHZKAJC-SLAOLUKTSA-N
HMDB49973,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32,34,36,40,43,49,52,62H,4-15,17-18,20-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",KQSIZOAAKFBCQC,FXVVDEDOSA,N,"TG(18:1(9Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KQSIZOAAKFBCQC-FXVVDEDOSA-N
HMDB49974,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,32-33,58H,4-7,9-10,12-16,18-19,21-24,29-31,34-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,33-27-/t58-/m1/s1",DGNYZSQNZNNHSE,QOVMPKEASA,N,"TG(18:1(9Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",DGNYZSQNZNNHSE-QOVMPKEASA-N
HMDB49975,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,32-33,38,41,58H,4-7,9-10,12-16,18-19,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,33-27-,41-38-/t58-/m1/s1",NUUPIKWFYYGUGM,OSDQVFLYSA,N,"TG(18:1(9Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",NUUPIKWFYYGUGM-OSDQVFLYSA-N
HMDB49976,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34-35,38,60H,4-7,9-10,12-16,18-19,21-24,30-33,36-37,39-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,38-35-/t60-/m0/s1",RYSFVHSTLPOBIB,PZLXZMQBSA,N,"TG(18:1(9Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",RYSFVHSTLPOBIB-PZLXZMQBSA-N
HMDB49977,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34-35,38,44,47,60H,4-7,9-10,12-16,18-19,21-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",XUNGZFVNEBWUHG,OGDVSWDDSA,N,"TG(18:1(9Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XUNGZFVNEBWUHG-OGDVSWDDSA-N
HMDB49978,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32,34,36,40,43,62H,4-6,8-9,11-15,17-18,20-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,36-27-,43-40-/t62-/m0/s1",SSMAYEOECGEBDL,YYMJDZBTSA,N,"TG(18:1(9Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SSMAYEOECGEBDL-YYMJDZBTSA-N
HMDB49979,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",LHUARHKSOKFQLZ,HQOQLWOZSA,N,"TG(18:1(9Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LHUARHKSOKFQLZ-HQOQLWOZSA-N
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HMDB50000,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25,27-28,35,61H,4-24,26,29-34,36-60H2,1-3H3/b28-25-,35-27-/t61-/m1/s1",QIKLHWHYLOODPL,FFSMKODBSA,N,TG(18:1(9Z)/24:1(15Z)/o-18:0),QIKLHWHYLOODPL-FFSMKODBSA-N
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HMDB50003,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25-28,30-32,34,40,43,56H,4-17,19-20,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1",XENVAVDLNNOPFB,WVWMMSSGSA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",XENVAVDLNNOPFB-WVWMMSSGSA-N
HMDB50004,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,25-28,32-33,58H,4-17,19-20,22-24,29-31,34-57H2,1-3H3/b21-18-,28-25-,32-26-,33-27-/t58-/m0/s1",ZIRJXTDTRZMNMW,ZXXNJQFSSA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/22:1(13Z))",ZIRJXTDTRZMNMW-ZXXNJQFSSA-N
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HMDB50007,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,37,54H,4-15,17,20,22-24,31-33,35-36,38-53H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-/t54-/m1/s1",IXLZJCDOWKHYDW,BEZBGMBTSA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",IXLZJCDOWKHYDW-BEZBGMBTSA-N
HMDB50008,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-31,56H,4-15,17,20,22-24,29,32-55H2,1-3H3/b19-16-,21-18-,28-25-,30-26-,31-27-/t56-/m0/s1",ZIBZUMLEDUJDQI,GMUUFHSISA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/20:2n6)",ZIBZUMLEDUJDQI-GMUUFHSISA-N
HMDB50009,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-32,34,56H,4-15,17,20,22-24,29,33,35-55H2,1-3H3/b19-16-,21-18-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",QVHPQMFZIADWSB,XDTGSNFWSA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/20:3n6)",QVHPQMFZIADWSB-XDTGSNFWSA-N
HMDB50011,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,32-33,58H,4-15,17,20,22-24,29-31,34-57H2,1-3H3/b19-16-,21-18-,28-25-,32-26-,33-27-/t58-/m0/s1",HKWZCLIYKDDAIR,GXUZOXTRSA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/22:2(13Z,16Z))",HKWZCLIYKDDAIR-GXUZOXTRSA-N
HMDB50012,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-33,36,39,58H,4-15,17,20,22-24,29,34-35,37-38,40-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m0/s1",MJQGUZHEGLGUPV,CESSNWOWSA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",MJQGUZHEGLGUPV-CESSNWOWSA-N
HMDB50013,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-33,36,39,45,48,58H,4-15,17,20,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m0/s1",MNOOWAHQVMAVHO,VTTZQOTESA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MNOOWAHQVMAVHO-VTTZQOTESA-N
HMDB50014,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,54H,4-6,8-9,11-15,17,20,22-24,31-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-/t54-/m1/s1",OTUIORVXGJUHBH,JBQDKWDBSA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",OTUIORVXGJUHBH-JBQDKWDBSA-N
HMDB50015,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,37,54H,4-6,8-9,11-15,17,20,22-24,31-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-/t54-/m1/s1",GHGLDXKTKPTLGK,JHYFCWEOSA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",GHGLDXKTKPTLGK-JHYFCWEOSA-N
HMDB50016,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-28,30-32,34,56H,4-6,8-9,11-15,17,20,22-24,29,33,35-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",WSZCBVABHNUPSE,POVBMUEJSA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",WSZCBVABHNUPSE-POVBMUEJSA-N
HMDB50017,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-28,30-32,34,40,43,56H,4-6,8-9,11-15,17,20,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1",XMEDLHXPFLTJAC,XFEKTQCZSA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XMEDLHXPFLTJAC-XFEKTQCZSA-N
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HMDB50020,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,55H,4-17,19-20,22-25,28,31-54H2,1-3H3/b21-18-,29-26-,30-27-/t55-/m1/s1",SNSCEPRATRYHSL,GBUKJYTBSA,N,"TG(18:1(9Z)/18:2(9Z,12Z)/o-18:0)",SNSCEPRATRYHSL-GBUKJYTBSA-N
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HMDB50022,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25-28,30-31,38,41,56H,4-17,19-20,22-24,29,32-37,39-40,42-55H2,1-3H3/b21-18-,28-25-,30-26-,31-27-,41-38-/t56-/m0/s1",YLNATRJTDGRAOC,ARKFPTDTSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:1(11Z))",YLNATRJTDGRAOC-ARKFPTDTSA-N
HMDB50023,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25-28,30-32,34,38,40-41,43,56H,4-17,19-20,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",MUKFDMLDZZKKTA,GCTBAINQSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",MUKFDMLDZZKKTA-GCTBAINQSA-N
HMDB50024,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,25-28,32-33,40,43,58H,4-17,19-20,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b21-18-,28-25-,32-26-,33-27-,43-40-/t58-/m0/s1",UPYZWHRVIBQXIR,UXNLKHAWSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:1(13Z))",UPYZWHRVIBQXIR-UXNLKHAWSA-N
HMDB50025,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,25-28,34-35,42,45,60H,4-17,19-20,22-24,29-33,36-41,43-44,46-59H2,1-3H3/b21-18-,28-25-,34-26-,35-27-,45-42-/t60-/m0/s1",ORQMNWAGMCHUBN,FKPJQCIFSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/24:1(15Z))",ORQMNWAGMCHUBN-FKPJQCIFSA-N
HMDB50026,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,36,39,54H,4-15,17,20,22-24,31-35,37-38,40-53H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,39-36-/t54-/m1/s1",GZKYQLYVTHEENU,PFINGUJGSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",GZKYQLYVTHEENU-PFINGUJGSA-N
HMDB50027,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,54H,4-15,17,20,22-24,31-33,35,38,40-53H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-/t54-/m1/s1",DKFZHIPDJUJFNQ,BELAWTOUSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",DKFZHIPDJUJFNQ-BELAWTOUSA-N
HMDB50028,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-31,38,41,56H,4-15,17,20,22-24,29,32-37,39-40,42-55H2,1-3H3/b19-16-,21-18-,28-25-,30-26-,31-27-,41-38-/t56-/m0/s1",AQAMVFXGOIAPNB,XRTDIYHUSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:2n6)",AQAMVFXGOIAPNB-XRTDIYHUSA-N
HMDB50029,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-32,34,38,41,56H,4-15,17,20,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-/t56-/m0/s1",BQNNUGDOFXSTKA,MENGQEJWSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:3n6)",BQNNUGDOFXSTKA-MENGQEJWSA-N
HMDB50030,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-32,34,38,40-41,43,56H,4-15,17,20,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",ZOCYXDJAZMBQOR,NUPGWVFLSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",ZOCYXDJAZMBQOR-NUPGWVFLSA-N
HMDB50031,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,32-33,40,43,58H,4-15,17,20,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,32-26-,33-27-,43-40-/t58-/m0/s1",GSGZZYVNOWULHC,DFGAHMBUSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",GSGZZYVNOWULHC-DFGAHMBUSA-N
HMDB50032,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-33,36,39-40,43,58H,4-15,17,20,22-24,29,34-35,37-38,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-/t58-/m0/s1",TWULNKGUNIYHPH,PTXNSWLWSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",TWULNKGUNIYHPH-PTXNSWLWSA-N
HMDB50033,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-33,36,39-40,43,45,48,58H,4-15,17,20,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-/t58-/m0/s1",JJHHCHZNEQYDOJ,VNYMHFPVSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JJHHCHZNEQYDOJ-VNYMHFPVSA-N
HMDB50034,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,36,39,54H,4-6,8-9,11-15,17,20,22-24,31-35,37-38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,39-36-/t54-/m1/s1",WFQIAZNTYDKNMG,LAKPNNHVSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",WFQIAZNTYDKNMG-LAKPNNHVSA-N
HMDB50035,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,54H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-/t54-/m1/s1",IIKXVXHANPJIBX,KBHFMOKVSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",IIKXVXHANPJIBX-KBHFMOKVSA-N
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HMDB50040,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,36,39,55H,4-17,19-20,22-25,28,31-35,37-38,40-54H2,1-3H3/b21-18-,29-26-,30-27-,39-36-/t55-/m1/s1",YFWNVIUVILVVDR,KJXLAAIMSA,N,"TG(18:1(9Z)/18:3(6Z,9Z,12Z)/o-18:0)",YFWNVIUVILVVDR-KJXLAAIMSA-N
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HMDB50043,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,32-33,36,42,45,58H,4-16,18-19,21-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b20-17-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m0/s1",PBYZBEHEDYLHRK,OSQMYNHRSA,N,"TG(18:1(9Z)/20:2n6/20:3(5Z,8Z,11Z))",PBYZBEHEDYLHRK-OSQMYNHRSA-N
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HMDB50046,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-31,56H,4-15,18,21-24,29,32-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-/t56-/m1/s1",BLXDNWXYZRXJNS,DLSFONGISA,N,"TG(18:1(9Z)/20:2n6/18:2(9Z,12Z))",BLXDNWXYZRXJNS-DLSFONGISA-N
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HMDB50056,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-33,36,58H,4-6,8-9,11-15,18,21-24,30-31,34-35,37-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-/t58-/m0/s1",SZZBGKHIQLLSRQ,UHTBWXMUSA,N,"TG(18:1(9Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))",SZZBGKHIQLLSRQ-UHTBWXMUSA-N
HMDB50057,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-33,36,42,45,58H,4-6,8-9,11-15,18,21-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m0/s1",SGHHHHZVEBRJQT,WCQQKAKISA,N,"TG(18:1(9Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",SGHHHHZVEBRJQT-WCQQKAKISA-N
HMDB50058,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-34,38,41,60H,4-6,8-9,11-15,18,21-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",UNPHSNFHDIZVSI,WAOWULNYSA,N,"TG(18:1(9Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",UNPHSNFHDIZVSI-WAOWULNYSA-N
HMDB50059,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,18,21-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",YUCHRXJXJUSLFQ,WSUSZCAPSA,N,"TG(18:1(9Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YUCHRXJXJUSLFQ-WSUSZCAPSA-N
HMDB50060,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31,57H,4-15,17-18,20-24,26,29-30,32-56H2,1-3H3/b19-16-,28-25-,31-27-/t57-/m1/s1",MDAAKQSKMYNSGC,QRXXIRFVSA,N,TG(18:1(9Z)/20:2n6/o-18:0),MDAAKQSKMYNSGC-QRXXIRFVSA-N
HMDB50061,908.78329106,C59H104O6,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25-28,30-32,35,56H,4-15,17-18,20-24,29,33-34,36-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,35-32-",AAOXKTNPFBHMFQ,KZBYCKEYSA,N,TG(18:1(9Z)/20:3n6/18:1(9Z)),AAOXKTNPFBHMFQ-KZBYCKEYSA-N
HMDB50062,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,32,34,37,58H,4-16,18-19,21-24,30-31,33,35-36,38-57H2,1-3H3/b20-17-,28-25-,29-26-,32-27-,37-34-/t58-/m0/s1",GSJPYHOSLAENHI,NGBLIMGUSA,N,TG(18:1(9Z)/20:3n6/20:1(11Z)),GSJPYHOSLAENHI-NGBLIMGUSA-N
HMDB50063,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,32-34,36-37,42,45,58H,4-16,18-19,21-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-/t58-/m0/s1",ONHHVEQXTLAXNH,ABGUBNPKSA,N,"TG(18:1(9Z)/20:3n6/20:3(5Z,8Z,11Z))",ONHHVEQXTLAXNH-ABGUBNPKSA-N
HMDB50064,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,36,39,60H,4-16,18-19,21-24,30-33,35,37-38,40-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,39-36-/t60-/m0/s1",NHNBHJTVRJQCPP,FKDZCWOGSA,N,TG(18:1(9Z)/20:3n6/22:1(13Z)),NHNBHJTVRJQCPP-FKDZCWOGSA-N
HMDB50065,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,36,38,41,62H,4-16,18-19,21-24,30-35,37,39-40,42-61H2,1-3H3/b20-17-,28-25-,29-26-,36-27-,41-38-/t62-/m0/s1",TYNHSUFTXQDCHM,HNLMCOPYSA,N,TG(18:1(9Z)/20:3n6/24:1(15Z)),TYNHSUFTXQDCHM-HNLMCOPYSA-N
HMDB50066,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-32,35,56H,4-15,18,21-24,29,33-34,36-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,35-32-/t56-/m1/s1",JLHAYOHEHNKWQB,PRLNRZJHSA,N,"TG(18:1(9Z)/20:3n6/18:2(9Z,12Z))",JLHAYOHEHNKWQB-PRLNRZJHSA-N
HMDB50067,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-32,35-36,39,56H,4-15,18,21-24,29,33-34,37-38,40-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-/t56-/m1/s1",HPQXJNDSRRKCPA,KYJIZWOGSA,N,"TG(18:1(9Z)/20:3n6/18:3(6Z,9Z,12Z))",HPQXJNDSRRKCPA-KYJIZWOGSA-N
HMDB50068,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32,34,37,58H,4-15,18,21-24,30-31,33,35-36,38-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,37-34-/t58-/m0/s1",CMJWRRUEGKSNLM,LLZPMLTHSA,N,TG(18:1(9Z)/20:3n6/20:2n6),CMJWRRUEGKSNLM-LLZPMLTHSA-N
HMDB50069,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-34,36-37,58H,4-15,18,21-24,30-31,35,38-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-/t58-/m0/s1",BWZXXIILQDCLRJ,FPERZNNTSA,N,TG(18:1(9Z)/20:3n6/20:3n6),BWZXXIILQDCLRJ-FPERZNNTSA-N
HMDB50070,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-34,36-37,42,45,58H,4-15,18,21-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-/t58-/m0/s1",ZWGCSBUQZCXERM,NCSBSTICSA,N,"TG(18:1(9Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))",ZWGCSBUQZCXERM-NCSBSTICSA-N
HMDB50071,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34,36,39,60H,4-15,18,21-24,30-33,35,37-38,40-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,39-36-/t60-/m0/s1",HTNGQUGKMONWEF,GWSNNVHSSA,N,"TG(18:1(9Z)/20:3n6/22:2(13Z,16Z))",HTNGQUGKMONWEF-GWSNNVHSSA-N
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HMDB50073,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-34,36,38-39,41,47,50,60H,4-15,18,21-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-/t60-/m0/s1",NTCOYOBXIUTQIE,SOYBSQKLSA,N,"TG(18:1(9Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",NTCOYOBXIUTQIE-SOYBSQKLSA-N
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HMDB50076,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-34,36-37,58H,4-6,8-9,11-15,18,21-24,30-31,35,38-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-/t58-/m0/s1",LMZLKFAWQCSNGZ,RSSRUBBSSA,N,"TG(18:1(9Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))",LMZLKFAWQCSNGZ-RSSRUBBSSA-N
HMDB50077,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-34,36-37,42,45,58H,4-6,8-9,11-15,18,21-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-/t58-/m0/s1",ZLLNVKBQOWDJSZ,UHTISJOHSA,N,"TG(18:1(9Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",ZLLNVKBQOWDJSZ-UHTISJOHSA-N
HMDB50078,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-34,36,38-39,41,60H,4-6,8-9,11-15,18,21-24,30,32,35,37,40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-/t60-/m0/s1",DRJWUSGKQPKDTB,YSOXUHDNSA,N,"TG(18:1(9Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",DRJWUSGKQPKDTB-YSOXUHDNSA-N
HMDB50079,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-34,36,38-39,41,47,50,60H,4-6,8-9,11-15,18,21-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-/t60-/m0/s1",PYMKNYQBVPYQSZ,HYVJQDIISA,N,"TG(18:1(9Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PYMKNYQBVPYQSZ-HYVJQDIISA-N
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HMDB50083,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,32-34,36-37,42-43,45-46,58H,4-16,18-19,21-24,30-31,35,38-41,44,47-57H2,1-3H3/b20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",CUBSSFWBESBANF,UQOKUHPESA,N,"TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",CUBSSFWBESBANF-UQOKUHPESA-N
HMDB50084,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,36,39,45,48,60H,4-16,18-19,21-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m0/s1",SNIRWKWYRGYYKI,MTBLMZBXSA,N,"TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",SNIRWKWYRGYYKI-MTBLMZBXSA-N
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HMDB50086,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-32,35,41,44,56H,4-15,18,21-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,44-41-/t56-/m1/s1",WBMGGUQEVPRESN,DOMIFHRNSA,N,"TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",WBMGGUQEVPRESN-DOMIFHRNSA-N
HMDB50087,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-32,35-36,39,41,44,56H,4-15,18,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1",TZRKRFRMROEGHC,PQXGNKKQSA,N,"TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",TZRKRFRMROEGHC-PQXGNKKQSA-N
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HMDB50109,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34-35,38,60H,4-15,18,21-24,30-33,36-37,39-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,38-35-/t60-/m0/s1",XXAWZPPLHQUSBP,NPDLIPRWSA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/20:3n6)",XXAWZPPLHQUSBP-NPDLIPRWSA-N
HMDB50110,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34-35,38,44,47,60H,4-15,18,21-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",LJONLOVAHOERFI,DJOFENHXSA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",LJONLOVAHOERFI-DJOFENHXSA-N
HMDB50111,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,36,62H,4-15,18,21-24,30-35,37-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-27-/t62-/m0/s1",UHOXTOFKJFBAGP,AQSLUIBZSA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/22:2(13Z,16Z))",UHOXTOFKJFBAGP-AQSLUIBZSA-N
HMDB50112,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32,34,36,40,43,62H,4-15,18,21-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,43-40-/t62-/m0/s1",DXOSYSIEJXJSIN,GOLVQTNNSA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",DXOSYSIEJXJSIN-GOLVQTNNSA-N
HMDB50113,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32,34,36,40,43,49,52,62H,4-15,18,21-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",AFXLOHIYQVRQMD,QDJCOXNFSA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AFXLOHIYQVRQMD-QDJCOXNFSA-N
HMDB50114,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,32-33,58H,4-7,9-10,12-15,18,21-24,29-31,34-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,33-27-/t58-/m1/s1",HZLWTIHXXNWFEI,ZOUQNJTLSA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",HZLWTIHXXNWFEI-ZOUQNJTLSA-N
HMDB50115,932.78329106,C61H104O6,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,32-33,38,41,58H,4-7,9-10,12-15,18,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,33-27-,41-38-",YUPYYEKEFGBPLY,FVEUQFROSA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",YUPYYEKEFGBPLY-FVEUQFROSA-N
HMDB50116,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34-35,38,60H,4-7,9-10,12-15,18,21-24,30-33,36-37,39-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,38-35-/t60-/m0/s1",DYLJEJFDCGGSLC,GZZFEHAGSA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",DYLJEJFDCGGSLC-GZZFEHAGSA-N
HMDB50117,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34-35,38,44,47,60H,4-7,9-10,12-15,18,21-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",WMLPUCUGYDVCLW,QTTVKSIHSA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WMLPUCUGYDVCLW-QTTVKSIHSA-N
HMDB50118,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32,34,36,40,43,62H,4-6,8-9,11-15,18,21-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,43-40-/t62-/m0/s1",KIYOCTGIKLGBLJ,HUDFMMRESA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KIYOCTGIKLGBLJ-HUDFMMRESA-N
HMDB50119,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,18,21-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",YHHMXYIWSCNIQI,KGVQQCQUSA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YHHMXYIWSCNIQI-KGVQQCQUSA-N
HMDB50120,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,33,59H,4-15,17-18,20-24,26,29-32,34-58H2,1-3H3/b19-16-,28-25-,33-27-/t59-/m1/s1",XJJRJDAWZMHWKT,PSBJUOIMSA,N,"TG(18:1(9Z)/22:2(13Z,16Z)/o-18:0)",XJJRJDAWZMHWKT-PSBJUOIMSA-N
HMDB50121,934.798941124,C61H106O6,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25-28,30-33,37,40,58H,4-15,17-18,20-24,29,34-36,38-39,41-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,33-27-,40-37-",JRUKVGNZCOFCRY,OSWSDGEVSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",JRUKVGNZCOFCRY-OSWSDGEVSA-N
HMDB50122,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,39,42,60H,4-15,17-18,20-24,30,32,35-38,40-41,43-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,42-39-/t60-/m0/s1",DQGJZWLEVUCIQR,LTDURSKYSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",DQGJZWLEVUCIQR-LTDURSKYSA-N
HMDB50123,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-35,38-39,42,44,47,60H,4-15,17-18,20-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-/t60-/m0/s1",XMMKMNSZBLWXRZ,MMPHPFILSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",XMMKMNSZBLWXRZ-MMPHPFILSA-N
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HMDB50125,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,37-38,43,46,64H,4-16,18-19,21-24,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,38-27-,46-43-/t64-/m0/s1",BYVJVAWYTVPJNF,MFNABLSTSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",BYVJVAWYTVPJNF-MFNABLSTSA-N
HMDB50126,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-33,37,40,58H,4-15,18,21-24,29,34-36,38-39,41-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-/t58-/m1/s1",MIFWAYIRJQAXIL,GQOFTJGPSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",MIFWAYIRJQAXIL-GQOFTJGPSA-N
HMDB50127,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-33,37-38,40-41,58H,4-15,18,21-24,29,34-36,39,42-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-/t58-/m1/s1",GHOHHCFEXYPELK,SECWURKHSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",GHOHHCFEXYPELK-SECWURKHSA-N
HMDB50128,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-34,39,42,60H,4-15,18,21-24,30,32,35-38,40-41,43-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,42-39-/t60-/m0/s1",DMJHSBVCHOTHNI,MGDVHFRHSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)",DMJHSBVCHOTHNI-MGDVHFRHSA-N
HMDB50129,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,38-39,42,60H,4-15,18,21-24,30,32,36-37,40-41,43-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-/t60-/m0/s1",FJFQEYNMGJSGOC,JATNAISPSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)",FJFQEYNMGJSGOC-JATNAISPSA-N
HMDB50130,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,38-39,42,44,47,60H,4-15,18,21-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-/t60-/m0/s1",VBYQUDJISXINCX,WLNLCUPVSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",VBYQUDJISXINCX-WLNLCUPVSA-N
HMDB50131,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,33,35-36,41,44,62H,4-15,18,21-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-27-,44-41-/t62-/m0/s1",BPTUOQBGCRPUKC,KEGJCKJKSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",BPTUOQBGCRPUKC-KEGJCKJKSA-N
HMDB50132,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,40-41,43-44,62H,4-15,18,21-24,30-31,37-39,42,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-/t62-/m0/s1",NJDCINBQFYFMNS,VSUUPGQCSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",NJDCINBQFYFMNS-VSUUPGQCSA-N
HMDB50133,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,40-41,43-44,49,52,62H,4-15,18,21-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-/t62-/m0/s1",USRWZOGOOJYMRF,KRJMKTQDSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",USRWZOGOOJYMRF-KRJMKTQDSA-N
HMDB50134,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-33,37,40,58H,4-7,9-10,12-15,18,21-24,29,34-36,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-/t58-/m1/s1",PDGYLYCQKKJXHK,HDHGELNOSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",PDGYLYCQKKJXHK-HDHGELNOSA-N
HMDB50135,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-33,37-38,40-41,58H,4-7,9-10,12-15,18,21-24,29,34-36,39,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-/t58-/m1/s1",JJFYHRCPMUVGCV,WGNQKDPBSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",JJFYHRCPMUVGCV-WGNQKDPBSA-N
HMDB50136,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,38-39,42,60H,4-7,9-10,12-15,18,21-24,30,32,36-37,40-41,43-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-/t60-/m0/s1",TUYQXUBNEYRCJG,NBGRMRSSSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",TUYQXUBNEYRCJG-NBGRMRSSSA-N
HMDB50137,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,38-39,42,44,47,60H,4-7,9-10,12-15,18,21-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-/t60-/m0/s1",RIWBDVNAXLFKHZ,RHBVWHTNSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RIWBDVNAXLFKHZ-RHBVWHTNSA-N
HMDB50138,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,40-41,43-44,62H,4-6,8-9,11-15,18,21-24,30-31,37-39,42,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-/t62-/m0/s1",WQAWUMVUILQKNT,HPGGYVMSSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WQAWUMVUILQKNT-HPGGYVMSSA-N
HMDB50139,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,40-41,43-44,49,52,62H,4-6,8-9,11-15,18,21-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-/t62-/m0/s1",YFDGJODCMWVLKK,KXRSPVPPSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YFDGJODCMWVLKK-KXRSPVPPSA-N
HMDB50140,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-33,37,40,59H,4-15,17-18,20-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b19-16-,28-25-,32-31-,33-27-,40-37-/t59-/m1/s1",ZYKHCSIERHKMFH,WAGHRBAZSA,N,"TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)",ZYKHCSIERHKMFH-WAGHRBAZSA-N
HMDB50141,932.78329106,C61H104O6,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25-28,30-33,37,40,46,49,58H,4-15,17-18,20-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-",YUQAIBRUMKBDMX,SEZPMAKOSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",YUQAIBRUMKBDMX-SEZPMAKOSA-N
HMDB50142,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,39,42,48,51,60H,4-15,17-18,20-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-/t60-/m0/s1",GXTVIPRLXUTROY,GPUDCURISA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",GXTVIPRLXUTROY-GPUDCURISA-N
HMDB50143,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-15,17-18,20-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",DSDYHEOLLZDDPO,POHPUDNUSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",DSDYHEOLLZDDPO-POHPUDNUSA-N
HMDB50144,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,33,35-36,41,44,50,53,62H,4-16,18-19,21-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m0/s1",GVICDYHIKSBFPX,KVOAEPCDSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",GVICDYHIKSBFPX-KVOAEPCDSA-N
HMDB50145,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,37-38,43,46,52,55,64H,4-16,18-19,21-24,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,38-27-,46-43-,55-52-/t64-/m0/s1",SPXNZEYFLKJDNY,VMJKTONTSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",SPXNZEYFLKJDNY-VMJKTONTSA-N
HMDB50146,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-33,37,40,46,49,58H,4-15,18,21-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-/t58-/m1/s1",RVUHSKRSYLBOID,JHRKRNMGSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",RVUHSKRSYLBOID-JHRKRNMGSA-N
HMDB50147,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-33,37-38,40-41,46,49,58H,4-15,18,21-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-/t58-/m1/s1",AUSSOWIJMAZQRW,KIQMMBSLSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",AUSSOWIJMAZQRW-KIQMMBSLSA-N
HMDB50148,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-34,39,42,48,51,60H,4-15,18,21-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-/t60-/m0/s1",AJANAYCEBNGXKY,RYYXSDIVSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",AJANAYCEBNGXKY-RYYXSDIVSA-N
HMDB50149,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,38-39,42,48,51,60H,4-15,18,21-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-/t60-/m0/s1",XGMRMYUHVURNEO,PIUMPBKRSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",XGMRMYUHVURNEO-PIUMPBKRSA-N
HMDB50150,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-15,18,21-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",OCHXJPHUWMPWLC,UEFZVEABSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",OCHXJPHUWMPWLC-UEFZVEABSA-N
HMDB50151,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,33,35-36,41,44,50,53,62H,4-15,18,21-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m0/s1",FPROXFNXQGYEEV,KVAYPDGLSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",FPROXFNXQGYEEV-KVAYPDGLSA-N
HMDB50152,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,40-41,43-44,50,53,62H,4-15,18,21-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-/t62-/m0/s1",CCMZWCWLBSXINQ,FVTIETMASA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",CCMZWCWLBSXINQ-FVTIETMASA-N
HMDB50153,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-15,18,21-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",JDVMRQCFIMNFEV,UNYZRFTMSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JDVMRQCFIMNFEV-UNYZRFTMSA-N
HMDB50154,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-33,37,40,46,49,58H,4-7,9-10,12-15,18,21-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-/t58-/m1/s1",NVDFKWCDZFVQDK,UIJDEYRSSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",NVDFKWCDZFVQDK-UIJDEYRSSA-N
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HMDB50156,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,38-39,42,48,51,60H,4-7,9-10,12-15,18,21-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-/t60-/m0/s1",SCBNRRNNYKNHJU,FJSYYMEOSA,N,"TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",SCBNRRNNYKNHJU-FJSYYMEOSA-N
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HMDB50167,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,37,54H,4-8,10-11,13-15,17,20,22-24,31-33,35-36,38-53H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-/t54-/m1/s1",JMDYULLZZIJMNQ,APVXVNKXSA,N,"TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",JMDYULLZZIJMNQ-APVXVNKXSA-N
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HMDB50173,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-28,30-33,36,39,45,48,58H,4-8,10-11,13-15,17,20,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m0/s1",YASINJKKEQIEPB,ZCYFYWCVSA,N,"TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YASINJKKEQIEPB-ZCYFYWCVSA-N
HMDB50174,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,54H,4-6,8,11,13-15,17,20,22-24,31-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-/t54-/m1/s1",NSPUDLQBMLPYGF,OAHXCPDHSA,N,"TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",NSPUDLQBMLPYGF-OAHXCPDHSA-N
HMDB50175,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,37,54H,4-6,8,11,13-15,17,20,22-24,31-33,35-36,38-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-/t54-/m1/s1",FVMUXMFNDQLEAU,QOEYHTJBSA,N,"TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",FVMUXMFNDQLEAU-QOEYHTJBSA-N
HMDB50176,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-32,34,56H,4-6,8,11,13-15,17,20,22-24,29,33,35-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",AYYIWTZQTCIIFH,GLSDLHOGSA,N,"TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",AYYIWTZQTCIIFH-GLSDLHOGSA-N
HMDB50177,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-32,34,40,43,56H,4-6,8,11,13-15,17,20,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1",AAFPBUWBKCMUOC,AZZQUJCXSA,N,"TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",AAFPBUWBKCMUOC-AZZQUJCXSA-N
HMDB50178,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-33,36,39,58H,4-6,8,11,13-15,17,20,22-24,29,34-35,37-38,40-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m0/s1",QMYCEGOEHSNYND,KZLJJGRZSA,N,"TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QMYCEGOEHSNYND-KZLJJGRZSA-N
HMDB50179,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-33,36,39,45,48,58H,4-6,8,11,13-15,17,20,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m0/s1",AHSZOTPDQMNZHG,GHQWWANSSA,N,"TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AHSZOTPDQMNZHG-GHQWWANSSA-N
HMDB50180,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,55H,4-8,10-11,13-17,19-20,22-25,28,31-54H2,1-3H3/b12-9-,21-18-,29-26-,30-27-/t55-/m1/s1",QKAXGKITAFZXPQ,UMGQTTKNSA,N,"TG(18:1(9Z)/18:3(9Z,12Z,15Z)/o-18:0)",QKAXGKITAFZXPQ-UMGQTTKNSA-N
HMDB50181,878.736340868,C57H98O6,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,54H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-",ICIGVHYNBLXGBL,OFGRFLLGSA,N,"TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))",ICIGVHYNBLXGBL-OFGRFLLGSA-N
HMDB50182,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,30-31,38,41,56H,4-8,10-11,13-17,19-20,22-24,29,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,28-25-,30-26-,31-27-,41-38-/t56-/m0/s1",NEZJLYSHWRBTKF,OHTCJYEASA,N,"TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))",NEZJLYSHWRBTKF-OHTCJYEASA-N
HMDB50183,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,30-32,34,38,40-41,43,56H,4-8,10-11,13-17,19-20,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b12-9-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-/t56-/m0/s1",XERLHAUUWDCLCH,QBZKPQDPSA,N,"TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",XERLHAUUWDCLCH-QBZKPQDPSA-N
HMDB50184,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,32-33,40,43,58H,4-8,10-11,13-17,19-20,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,28-25-,32-26-,33-27-,43-40-/t58-/m0/s1",TXPCAQHLTJKWGQ,OYFJEUEQSA,N,"TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",TXPCAQHLTJKWGQ-OYFJEUEQSA-N
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HMDB50186,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,36,39,54H,4-8,10-11,13-15,17,20,22-24,31-35,37-38,40-53H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,39-36-/t54-/m1/s1",DDTDSYZAEYPGQE,ZUNCCVSTSA,N,"TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",DDTDSYZAEYPGQE-ZUNCCVSTSA-N
HMDB50187,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,54H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-53H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-/t54-/m1/s1",LWQRSDLUYAXJOY,UKAVFGBLSA,N,"TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",LWQRSDLUYAXJOY-UKAVFGBLSA-N
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HMDB50206,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-28,30-32,35,56H,4-6,8-9,11-15,18,21-24,29,33-34,36-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-/t56-/m1/s1",NBWUDYTWOTZFDE,VMSXOWFOSA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",NBWUDYTWOTZFDE-VMSXOWFOSA-N
HMDB50207,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-28,30-32,35-36,39,56H,4-6,8-9,11-15,18,21-24,29,33-34,37-38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-/t56-/m1/s1",UOSPURJRYLRSMD,ONLXCMEISA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",UOSPURJRYLRSMD-ONLXCMEISA-N
HMDB50208,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32,34,37,58H,4-7,9-10,12-15,18,21-24,30-31,33,35-36,38-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,37-34-/t58-/m0/s1",IXWNNSLJSYRECI,QDDDXQTISA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)",IXWNNSLJSYRECI-QDDDXQTISA-N
HMDB50209,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-34,36-37,58H,4-7,9-10,12-15,18,21-24,30-31,35,38-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-/t58-/m0/s1",MBPQDFWVDSHSTL,MLDAPOTHSA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)",MBPQDFWVDSHSTL-MLDAPOTHSA-N
HMDB50210,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-34,36-37,42,45,58H,4-7,9-10,12-15,18,21-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-/t58-/m0/s1",YSGJJGBEPPEHMY,URSUVDKNSA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",YSGJJGBEPPEHMY-URSUVDKNSA-N
HMDB50211,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34,36,39,60H,4-7,9-10,12-15,18,21-24,30-33,35,37-38,40-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,39-36-/t60-/m0/s1",FYHVOXVEUGIHGF,GILIFZJPSA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",FYHVOXVEUGIHGF-GILIFZJPSA-N
HMDB50212,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-34,36,38-39,41,60H,4-7,9-10,12-15,18,21-24,30,32,35,37,40,42-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-/t60-/m0/s1",GZUMPLARGPROGA,NDWYHOTDSA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",GZUMPLARGPROGA-NDWYHOTDSA-N
HMDB50213,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-34,36,38-39,41,47,50,60H,4-7,9-10,12-15,18,21-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-/t60-/m0/s1",ACBRHMNCXHNUSA,KCKINMBPSA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ACBRHMNCXHNUSA-KCKINMBPSA-N
HMDB50214,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-32,35,56H,4-6,9,12-15,18,21-24,29,33-34,36-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-/t56-/m1/s1",JSMMOBLOQBPKPG,RFJRAGCPSA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",JSMMOBLOQBPKPG-RFJRAGCPSA-N
HMDB50215,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-32,35-36,39,56H,4-6,9,12-15,18,21-24,29,33-34,37-38,40-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-/t56-/m1/s1",VTKPPWHYRVIYMV,QJRFBBHESA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",VTKPPWHYRVIYMV-QJRFBBHESA-N
HMDB50216,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-34,36-37,58H,4-6,9,12-15,18,21-24,30-31,35,38-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-/t58-/m0/s1",DFNHWVOJZBVVQC,SDKYHCROSA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",DFNHWVOJZBVVQC-SDKYHCROSA-N
HMDB50217,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-34,36-37,42,45,58H,4-6,9,12-15,18,21-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-/t58-/m0/s1",KHNMVUXCIUHLCK,LCDIMITISA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KHNMVUXCIUHLCK-LCDIMITISA-N
HMDB50218,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-34,36,38-39,41,60H,4-6,9,12-15,18,21-24,30,32,35,37,40,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-/t60-/m0/s1",XOYSWGHQVMLVFO,IXRQMOADSA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XOYSWGHQVMLVFO-IXRQMOADSA-N
HMDB50219,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-34,36,38-39,41,47,50,60H,4-6,9,12-15,18,21-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-/t60-/m0/s1",YDCWNPRKDZMBHL,ULWLUBHCSA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YDCWNPRKDZMBHL-ULWLUBHCSA-N
HMDB50220,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-32,35,57H,4-6,8-9,11-15,17-18,20-24,26,29-30,33-34,36-56H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,35-32-/t57-/m1/s1",OHUHFPXENQRRCF,LIDADERNSA,N,"TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)",OHUHFPXENQRRCF-LIDADERNSA-N
HMDB50221,904.751990932,C59H100O6,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-28,30-32,35,41,44,56H,4-6,8-9,11-15,17-18,20-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,31-27-,35-32-,44-41-",KYXSSOQPQVYSGO,SCHGNYNLSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",KYXSSOQPQVYSGO-SCHGNYNLSA-N
HMDB50222,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,32,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,32-27-,37-34-,46-43-/t58-/m0/s1",BSAJUKANQQNRPQ,BEBXRSNESA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",BSAJUKANQQNRPQ-BEBXRSNESA-N
HMDB50223,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,32-34,36-37,42-43,45-46,58H,4-7,9-10,12-16,18-19,21-24,30-31,35,38-41,44,47-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",BGHBXUIFKLYDMU,VDOMRECASA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",BGHBXUIFKLYDMU-VDOMRECASA-N
HMDB50224,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m0/s1",CLKXZBOCERZTFN,MIPRCIPYSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",CLKXZBOCERZTFN-MIPRCIPYSA-N
HMDB50225,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,36,38,41,47,50,62H,4-7,9-10,12-16,18-19,21-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-27-,41-38-,50-47-/t62-/m0/s1",FVCVABMAHIGRCY,SCMLYCIBSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",FVCVABMAHIGRCY-SCMLYCIBSA-N
HMDB50226,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-28,30-32,35,41,44,56H,4-6,8-9,11-15,18,21-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,44-41-/t56-/m1/s1",HXYKDJPNZOWTNU,KZPAVMRDSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",HXYKDJPNZOWTNU-KZPAVMRDSA-N
HMDB50227,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-28,30-32,35-36,39,41,44,56H,4-6,8-9,11-15,18,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1",ATKWSHJQYSCESK,AEPOAMTOSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",ATKWSHJQYSCESK-AEPOAMTOSA-N
HMDB50228,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32,34,37,43,46,58H,4-7,9-10,12-15,18,21-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,37-34-,46-43-/t58-/m0/s1",SNLGVIRFLSNQHP,HHGGZERHSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",SNLGVIRFLSNQHP-HHGGZERHSA-N
HMDB50229,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-34,36-37,43,46,58H,4-7,9-10,12-15,18,21-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-/t58-/m0/s1",PYWSIOMOTPSVQT,HIPYXELRSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",PYWSIOMOTPSVQT-HIPYXELRSA-N
HMDB50230,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-34,36-37,42-43,45-46,58H,4-7,9-10,12-15,18,21-24,30-31,35,38-41,44,47-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",ALWBNPSLWFYFTR,LGFYHTNOSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",ALWBNPSLWFYFTR-LGFYHTNOSA-N
HMDB50231,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34,36,39,45,48,60H,4-7,9-10,12-15,18,21-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m0/s1",VVRZBMYJHVBGAQ,AVJURUEFSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",VVRZBMYJHVBGAQ-AVJURUEFSA-N
HMDB50232,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-34,36,38-39,41,45,48,60H,4-7,9-10,12-15,18,21-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-/t60-/m0/s1",GWUZWGZLGCRJKX,ZWJMLQKPSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",GWUZWGZLGCRJKX-ZWJMLQKPSA-N
HMDB50233,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-7,9-10,12-15,18,21-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",WBYJAVXPGXOYOM,LAZRHBHPSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WBYJAVXPGXOYOM-LAZRHBHPSA-N
HMDB50234,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-32,35,41,44,56H,4-6,9,12-15,18,21-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,44-41-/t56-/m1/s1",UBNYYWZUYOQPFD,YXBKQVTDSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",UBNYYWZUYOQPFD-YXBKQVTDSA-N
HMDB50235,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-32,35-36,39,41,44,56H,4-6,9,12-15,18,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1",HPNGHACKQXCJSU,HLLNGZNBSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",HPNGHACKQXCJSU-HLLNGZNBSA-N
HMDB50236,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-34,36-37,43,46,58H,4-6,9,12-15,18,21-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-/t58-/m0/s1",XPQSHRIROJQPHX,DPZXXROTSA,N,"TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",XPQSHRIROJQPHX-DPZXXROTSA-N
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HMDB50259,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,40-41,43-44,49,52,62H,4-6,9,12-15,18,21-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-/t62-/m0/s1",QUWRGMOSPKXQJN,PHDXMEOESA,N,"TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QUWRGMOSPKXQJN-PHDXMEOESA-N
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HMDB50266,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-28,30-33,37,40,46,49,58H,4-6,8-9,11-15,18,21-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-/t58-/m1/s1",YAHLMNLAELAOFQ,MAHWBAPTSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",YAHLMNLAELAOFQ-MAHWBAPTSA-N
HMDB50267,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-28,30-33,37-38,40-41,46,49,58H,4-6,8-9,11-15,18,21-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-/t58-/m1/s1",IKDKNLFCHNFSQG,ABYPALAVSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",IKDKNLFCHNFSQG-ABYPALAVSA-N
HMDB50268,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-34,39,42,48,51,60H,4-6,8-9,11-15,18,21-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-/t60-/m0/s1",WWNWPBUPVCWJHV,JUTILSHASA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",WWNWPBUPVCWJHV-JUTILSHASA-N
HMDB50269,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,38-39,42,48,51,60H,4-6,8-9,11-15,18,21-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-/t60-/m0/s1",PEPRNBOWRGJCFH,WKWDPUHXSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",PEPRNBOWRGJCFH-WKWDPUHXSA-N
HMDB50270,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-6,8-9,11-15,18,21-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",GUKADGOJBYUPGU,UNKSTFKMSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",GUKADGOJBYUPGU-UNKSTFKMSA-N
HMDB50271,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,33,35-36,41,44,50,53,62H,4-7,9-10,12-15,18,21-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m0/s1",HBJSDTJMYYRXEE,PRJRQNELSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",HBJSDTJMYYRXEE-PRJRQNELSA-N
HMDB50272,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-36,40-41,43-44,50,53,62H,4-7,9-10,12-15,18,21-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-/t62-/m0/s1",YMGJAUNSLVNGOU,APJRUKJJSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",YMGJAUNSLVNGOU-APJRUKJJSA-N
HMDB50273,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-7,9-10,12-15,18,21-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",RUSGNCLMYHYYHV,CYOXCLDKSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RUSGNCLMYHYYHV-CYOXCLDKSA-N
HMDB50274,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-33,37,40,46,49,58H,4-6,9,12-15,18,21-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-/t58-/m1/s1",DLRYIQCTVBISLF,HAPRBWENSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",DLRYIQCTVBISLF-HAPRBWENSA-N
HMDB50275,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-33,37-38,40-41,46,49,58H,4-6,9,12-15,18,21-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-/t58-/m1/s1",NWCRHTRUMSZHGL,TZENIUPZSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",NWCRHTRUMSZHGL-TZENIUPZSA-N
HMDB50276,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-35,38-39,42,48,51,60H,4-6,9,12-15,18,21-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-/t60-/m0/s1",HIHDUURHAHHFSF,FJFLLCHSSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",HIHDUURHAHHFSF-FJFLLCHSSA-N
HMDB50277,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-6,9,12-15,18,21-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",ZCGCIFQLSROBQB,GMICQEHHSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZCGCIFQLSROBQB-GMICQEHHSA-N
HMDB50278,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,40-41,43-44,50,53,62H,4-6,9,12-15,18,21-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-/t62-/m0/s1",YEPSKQSRIFNCPW,TXVMANKGSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YEPSKQSRIFNCPW-TXVMANKGSA-N
HMDB50279,976.75199094,C65H100O6,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-6,9,12-15,18,21-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",PTACBPKQWASVGS,UGZZNBSXSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PTACBPKQWASVGS-UGZZNBSXSA-N
HMDB50280,918.804026513,C61H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-33,37,40,46,49,59H,4-6,8-9,11-15,17-18,20-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,33-27-,40-37-,49-46-/t59-/m1/s1",WVLDZIGRYLEPKL,IZYGHVSJSA,N,"TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",WVLDZIGRYLEPKL-IZYGHVSJSA-N
HMDB50281,872.819676566,C57H108O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,55H,4-25,28,31-54H2,1-3H3/b29-26-,30-27-",FNQUOUYVVYCCII,MIFGFRIJSA,N,TG(18:1(9Z)/o-18:0/18:1(9Z)),FNQUOUYVVYCCII-MIFGFRIJSA-N
HMDB50282,900.850976706,C59H112O5,[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,27-28,31,57H,4-24,26,29-30,32-56H2,1-3H3/b28-25-,31-27-/t57-/m0/s1",OWYOMQRSVDVHPO,AUUXSCGFSA,N,TG(18:1(9Z)/o-18:0/20:1(11Z)),OWYOMQRSVDVHPO-AUUXSCGFSA-N
HMDB50283,896.819676578,C59H108O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,27-28,31-32,35,41,44,57H,4-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b28-25-,31-27-,35-32-,44-41-/t57-/m0/s1",PCOWIUQLZHHCFI,FUWUYHJNSA,N,"TG(18:1(9Z)/o-18:0/20:3(5Z,8Z,11Z))",PCOWIUQLZHHCFI-FUWUYHJNSA-N
HMDB50284,928.882276835,C61H116O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25,27-28,33,59H,4-24,26,29-32,34-58H2,1-3H3/b28-25-,33-27-/t59-/m0/s1",GJNCCQAILGZQPE,LZXJXLBVSA,N,TG(18:1(9Z)/o-18:0/22:1(13Z)),GJNCCQAILGZQPE-LZXJXLBVSA-N
HMDB50285,956.913576964,C63H120O5,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25,27-28,35,61H,4-24,26,29-34,36-60H2,1-3H3/b28-25-,35-27-/t61-/m0/s1",FRRIXNAAJYOQAA,AVIITVFHSA,N,TG(18:1(9Z)/o-18:0/24:1(15Z)),FRRIXNAAJYOQAA-AVIITVFHSA-N
HMDB50286,870.804026513,C57H106O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,55H,4-16,18-19,21-25,28,31-54H2,1-3H3/b20-17-,29-26-,30-27-/t55-/m1/s1",TUHYVLFMYBFPEE,IJDLEHCASA,N,"TG(18:1(9Z)/o-18:0/18:2(9Z,12Z))",TUHYVLFMYBFPEE-IJDLEHCASA-N
HMDB50287,868.788376449,C57H104O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,35,38,55H,4-16,18-19,21-25,28,31-34,36-37,39-54H2,1-3H3/b20-17-,29-26-,30-27-,38-35-/t55-/m1/s1",SXXIVYLKZBTODG,VKKPKEGASA,N,"TG(18:1(9Z)/o-18:0/18:3(6Z,9Z,12Z))",SXXIVYLKZBTODG-VKKPKEGASA-N
HMDB50288,898.835326642,C59H110O5,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31,57H,4-15,17-18,20-24,26,29-30,32-56H2,1-3H3/b19-16-,28-25-,31-27-/t57-/m0/s1",ZJLUTLDLTDSKOK,JHPDYJDWSA,N,TG(18:1(9Z)/o-18:0/20:2n6),ZJLUTLDLTDSKOK-JHPDYJDWSA-N
HMDB50289,896.819676578,C59H108O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-32,35,57H,4-15,17-18,20-24,26,29-30,33-34,36-56H2,1-3H3/b19-16-,28-25-,31-27-,35-32-/t57-/m0/s1",WQIWRVUVCZREGA,MAEZBASSSA,N,TG(18:1(9Z)/o-18:0/20:3n6),WQIWRVUVCZREGA-MAEZBASSSA-N
HMDB50290,894.804026513,C59H106O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-32,35,41,44,57H,4-15,17-18,20-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b19-16-,28-25-,31-27-,35-32-,44-41-/t57-/m0/s1",GBZOIIMHGWZFKG,XPKWLBNJSA,N,"TG(18:1(9Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))",GBZOIIMHGWZFKG-XPKWLBNJSA-N
HMDB50291,926.866626771,C61H114O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,33,59H,4-15,17-18,20-24,26,29-32,34-58H2,1-3H3/b19-16-,28-25-,33-27-/t59-/m0/s1",IAKNICPRAKVQME,IVTYRKPFSA,N,"TG(18:1(9Z)/o-18:0/22:2(13Z,16Z))",IAKNICPRAKVQME-IVTYRKPFSA-N
HMDB50292,922.835326642,C61H110O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-33,37,40,59H,4-15,17-18,20-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b19-16-,28-25-,32-31-,33-27-,40-37-/t59-/m0/s1",ATMKNQBZOMWALE,OOTREFJUSA,N,"TG(18:1(9Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))",ATMKNQBZOMWALE-OOTREFJUSA-N
HMDB50293,920.819676578,C61H108O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-33,37,40,46,49,59H,4-15,17-18,20-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,28-25-,32-31-,33-27-,40-37-,49-46-/t59-/m0/s1",HSMPJXQYKMZNSG,ZTOJGIPDSA,N,"TG(18:1(9Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",HSMPJXQYKMZNSG-ZTOJGIPDSA-N
HMDB50294,868.788376449,C57H104O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,55H,4-7,9-10,12-16,18-19,21-25,28,31-54H2,1-3H3/b11-8-,20-17-,29-26-,30-27-/t55-/m1/s1",JLKCEKRVLYHNTR,KJNSHSROSA,N,"TG(18:1(9Z)/o-18:0/18:3(9Z,12Z,15Z))",JLKCEKRVLYHNTR-KJNSHSROSA-N
HMDB50295,866.772726384,C57H102O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,35,38,55H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-/t55-/m1/s1",JYMXJRDHIBKAPL,NKLSPBEBSA,N,"TG(18:1(9Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",JYMXJRDHIBKAPL-NKLSPBEBSA-N
HMDB50296,894.804026513,C59H106O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-32,35,57H,4-6,8-9,11-15,17-18,20-24,26,29-30,33-34,36-56H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,35-32-/t57-/m0/s1",YDIPNHGCBRMUNL,RJPBCUOASA,N,"TG(18:1(9Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",YDIPNHGCBRMUNL-RJPBCUOASA-N
HMDB50297,892.788376449,C59H104O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-32,35,41,44,57H,4-6,8-9,11-15,17-18,20-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,35-32-,44-41-/t57-/m0/s1",PCCWELCMIQOFAD,SCFWZUSKSA,N,"TG(18:1(9Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",PCCWELCMIQOFAD-SCFWZUSKSA-N
HMDB50298,920.819676578,C61H108O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-33,37,40,59H,4-6,8-9,11-15,17-18,20-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,33-27-,40-37-/t59-/m0/s1",WGOCXIIOLDIILS,AHCHJJRYSA,N,"TG(18:1(9Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",WGOCXIIOLDIILS-AHCHJJRYSA-N
HMDB50299,918.804026513,C61H106O5,[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-33,37,40,46,49,59H,4-6,8-9,11-15,17-18,20-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,33-27-,40-37-,49-46-/t59-/m0/s1",SGQWHQDGHZOIQN,GBIWDQKQSA,N,"TG(18:1(9Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SGQWHQDGHZOIQN-GBIWDQKQSA-N
HMDB50300,886.798941124,C57H106O6,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,54H,4-23,28-53H2,1-3H3/b26-24-,27-25-",CKGQVHZBCHFFFP,DSOYXUETSA,N,TG(20:1(11Z)/14:0/20:1(11Z)),CKGQVHZBCHFFFP-DSOYXUETSA-N
HMDB50301,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30,32,37,40,54H,4-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b26-24-,27-25-,32-30-,40-37-/t54-/m1/s1",SHYQNKZJLJXKPA,MJHHRUIBSA,N,"TG(20:1(11Z)/14:0/20:3(5Z,8Z,11Z))",SHYQNKZJLJXKPA-MJHHRUIBSA-N
HMDB50302,914.830241262,C59H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24-27,56H,4-23,28-55H2,1-3H3/b26-24-,27-25-/t56-/m0/s1",LJLIFTYRIMZUNV,XWDCVAGASA,N,TG(20:1(11Z)/14:0/22:1(13Z)),LJLIFTYRIMZUNV-XWDCVAGASA-N
HMDB50303,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24-27,58H,4-23,28-57H2,1-3H3/b26-24-,27-25-/t58-/m0/s1",IGNHERGRXWPMJH,SUORVOMPSA,N,TG(20:1(11Z)/14:0/24:1(15Z)),IGNHERGRXWPMJH-SUORVOMPSA-N
HMDB50304,856.75199094,C55H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28,52H,4-16,18-19,21-23,27,29-51H2,1-3H3/b20-17-,26-24-,28-25-/t52-/m1/s1",HAGMTXDICLFDOC,MMWLGPPDSA,N,"TG(20:1(11Z)/14:0/18:2(9Z,12Z))",HAGMTXDICLFDOC-MMWLGPPDSA-N
HMDB50305,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28,33,35,52H,4-16,18-19,21-23,27,29-32,34,36-51H2,1-3H3/b20-17-,26-24-,28-25-,35-33-/t52-/m1/s1",GFDKUVKFOYLFRP,QPSKVECHSA,N,"TG(20:1(11Z)/14:0/18:3(6Z,9Z,12Z))",GFDKUVKFOYLFRP-QPSKVECHSA-N
HMDB50306,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,54H,4-15,17-18,20-23,28-53H2,1-3H3/b19-16-,26-24-,27-25-/t54-/m1/s1",RKPJGADXZNHPGE,LCVXGRMFSA,N,TG(20:1(11Z)/14:0/20:2n6),RKPJGADXZNHPGE-LCVXGRMFSA-N
HMDB50307,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,54H,4-15,17-18,20-23,28-29,31,33-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-/t54-/m1/s1",WUKREVVPLNPHSK,FKSNBECISA,N,TG(20:1(11Z)/14:0/20:3n6),WUKREVVPLNPHSK-FKSNBECISA-N
HMDB50308,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,37,40,54H,4-15,17-18,20-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,40-37-/t54-/m1/s1",SDKRXCCKVQOCAO,SOLHDMFPSA,N,"TG(20:1(11Z)/14:0/20:4(5Z,8Z,11Z,14Z))",SDKRXCCKVQOCAO-SOLHDMFPSA-N
HMDB50309,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,56H,4-15,17-18,20-23,28-55H2,1-3H3/b19-16-,26-24-,27-25-/t56-/m0/s1",AAEDIKNVLNRFNP,VERBRUMSSA,N,"TG(20:1(11Z)/14:0/22:2(13Z,16Z))",AAEDIKNVLNRFNP-VERBRUMSSA-N
HMDB50310,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,35,38,56H,4-15,17-18,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",KLXIQPICAQAQSZ,WYUIVWTQSA,N,"TG(20:1(11Z)/14:0/22:4(7Z,10Z,13Z,16Z))",KLXIQPICAQAQSZ-WYUIVWTQSA-N
HMDB50311,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,35,38,43,46,56H,4-15,17-18,20-23,28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,38-35-,46-43-/t56-/m0/s1",ZMSSAVRHYCMBEW,BPXJCREESA,N,"TG(20:1(11Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZMSSAVRHYCMBEW-BPXJCREESA-N
HMDB50312,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28,52H,4-7,9-10,12-16,18-19,21-23,27,29-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-/t52-/m1/s1",LDPLUBPIMDSZQH,BVQPMVRCSA,N,"TG(20:1(11Z)/14:0/18:3(9Z,12Z,15Z))",LDPLUBPIMDSZQH-BVQPMVRCSA-N
HMDB50313,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28,33,35,52H,4-7,9-10,12-16,18-19,21-23,27,29-32,34,36-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,35-33-/t52-/m1/s1",LSFAIOBGARHDLM,UMBRLWILSA,N,"TG(20:1(11Z)/14:0/18:4(6Z,9Z,12Z,15Z))",LSFAIOBGARHDLM-UMBRLWILSA-N
HMDB50314,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,54H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-/t54-/m1/s1",FNZXUUOILKQHJU,APNJFMROSA,N,"TG(20:1(11Z)/14:0/20:4(8Z,11Z,14Z,17Z))",FNZXUUOILKQHJU-APNJFMROSA-N
HMDB50315,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,37,40,54H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,40-37-/t54-/m1/s1",MVKXWADNKUPQIS,JQCIAPESSA,N,"TG(20:1(11Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",MVKXWADNKUPQIS-JQCIAPESSA-N
HMDB50316,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,35,38,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",LEUVUJPLCNFIEQ,CWHWLPKQSA,N,"TG(20:1(11Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",LEUVUJPLCNFIEQ-CWHWLPKQSA-N
HMDB50317,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,35,38,43,46,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,38-35-,46-43-/t56-/m0/s1",LGVKKBGQXDUPJS,FKYJVBNJSA,N,"TG(20:1(11Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LGVKKBGQXDUPJS-FKYJVBNJSA-N
HMDB50318,846.804026513,C55H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,53H,4-23,25,27-52H2,1-3H3/b26-24-/t53-/m1/s1",DKHNILKCQWGPSF,DUYOFIOMSA,N,TG(20:1(11Z)/14:0/o-18:0),DKHNILKCQWGPSF-DUYOFIOMSA-N
HMDB50319,900.814591188,C58H108O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,55H,4-24,29-54H2,1-3H3/b27-25-,28-26-",PWOMLGILNAAXBL,LBXGSASVSA,N,TG(20:1(11Z)/15:0/20:1(11Z)),PWOMLGILNAAXBL-LBXGSASVSA-N
HMDB50320,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31,33,38,41,55H,4-24,29-30,32,34-37,39-40,42-54H2,1-3H3/b27-25-,28-26-,33-31-,41-38-/t55-/m1/s1",FGRFOAKBUFMFQQ,YVYSPMOKSA,N,"TG(20:1(11Z)/15:0/20:3(5Z,8Z,11Z))",FGRFOAKBUFMFQQ-YVYSPMOKSA-N
HMDB50321,928.845891326,C60H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,57H,4-24,29-56H2,1-3H3/b27-25-,28-26-/t57-/m0/s1",BHMNYQXXBGBVQM,RQOLIHFSSA,N,TG(20:1(11Z)/15:0/22:1(13Z)),BHMNYQXXBGBVQM-RQOLIHFSSA-N
HMDB50322,956.877191455,C62H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,59H,4-24,29-58H2,1-3H3/b27-25-,28-26-/t59-/m0/s1",ISRGWKSVTOCKBL,WPKSTOBMSA,N,TG(20:1(11Z)/15:0/24:1(15Z)),ISRGWKSVTOCKBL-WPKSTOBMSA-N
HMDB50323,870.767641004,C56H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,53H,4-16,18-19,21-24,28,30-52H2,1-3H3/b20-17-,27-25-,29-26-/t53-/m1/s1",FOOFUGWCMJTRAO,AJWXWBAVSA,N,"TG(20:1(11Z)/15:0/18:2(9Z,12Z))",FOOFUGWCMJTRAO-AJWXWBAVSA-N
HMDB50324,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,34,36,53H,4-16,18-19,21-24,28,30-33,35,37-52H2,1-3H3/b20-17-,27-25-,29-26-,36-34-/t53-/m1/s1",SIRXFRDZYIANLX,SIGFCCDISA,N,"TG(20:1(11Z)/15:0/18:3(6Z,9Z,12Z))",SIRXFRDZYIANLX-SIGFCCDISA-N
HMDB50325,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,55H,4-15,17-18,20-24,29-54H2,1-3H3/b19-16-,27-25-,28-26-/t55-/m1/s1",VGOGEYSPDFHEJZ,RGBKTUGCSA,N,TG(20:1(11Z)/15:0/20:2n6),VGOGEYSPDFHEJZ-RGBKTUGCSA-N
HMDB50326,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,55H,4-15,17-18,20-24,29-30,32,34-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-/t55-/m1/s1",SOCNQOBFARPJBO,NVTXZIGUSA,N,TG(20:1(11Z)/15:0/20:3n6),SOCNQOBFARPJBO-NVTXZIGUSA-N
HMDB50327,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,38,41,55H,4-15,17-18,20-24,29-30,32,34-37,39-40,42-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,41-38-/t55-/m1/s1",UJZBVCVPPVCHGG,QVEKKZQNSA,N,"TG(20:1(11Z)/15:0/20:4(5Z,8Z,11Z,14Z))",UJZBVCVPPVCHGG-QVEKKZQNSA-N
HMDB50328,926.830241262,C60H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,57H,4-15,17-18,20-24,29-56H2,1-3H3/b19-16-,27-25-,28-26-/t57-/m0/s1",VUWCFUVRQRSSMI,DMJNNAIESA,N,"TG(20:1(11Z)/15:0/22:2(13Z,16Z))",VUWCFUVRQRSSMI-DMJNNAIESA-N
HMDB50329,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,57H,4-15,17-18,20-24,29,31,33-35,37-38,40-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-/t57-/m0/s1",UBPNJRLKBACOAL,PKWCXRJQSA,N,"TG(20:1(11Z)/15:0/22:4(7Z,10Z,13Z,16Z))",UBPNJRLKBACOAL-PKWCXRJQSA-N
HMDB50330,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,44,47,57H,4-15,17-18,20-24,29,31,33-35,37-38,40-43,45-46,48-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-,47-44-/t57-/m0/s1",GQVRLDDLTKGMLW,QLSMJFTCSA,N,"TG(20:1(11Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",GQVRLDDLTKGMLW-QLSMJFTCSA-N
HMDB50331,868.75199094,C56H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,53H,4-7,9-10,12-16,18-19,21-24,28,30-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-/t53-/m1/s1",KJYBVCYVDSZLRY,UGFDWAJZSA,N,"TG(20:1(11Z)/15:0/18:3(9Z,12Z,15Z))",KJYBVCYVDSZLRY-UGFDWAJZSA-N
HMDB50332,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,34,36,53H,4-7,9-10,12-16,18-19,21-24,28,30-33,35,37-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,36-34-/t53-/m1/s1",GOZIYTBOHQPJSI,LZCDYZDYSA,N,"TG(20:1(11Z)/15:0/18:4(6Z,9Z,12Z,15Z))",GOZIYTBOHQPJSI-LZCDYZDYSA-N
HMDB50333,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,55H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-/t55-/m1/s1",IVUZYHUCPNFVPI,RQSFFVIDSA,N,"TG(20:1(11Z)/15:0/20:4(8Z,11Z,14Z,17Z))",IVUZYHUCPNFVPI-RQSFFVIDSA-N
HMDB50334,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,38,41,55H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-37,39-40,42-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,41-38-/t55-/m1/s1",OBQSPUCLXBQZIA,HRKCLNOHSA,N,"TG(20:1(11Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",OBQSPUCLXBQZIA-HRKCLNOHSA-N
HMDB50335,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,57H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-/t57-/m0/s1",HPLXTPGSIMOYRY,OOEARSIFSA,N,"TG(20:1(11Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",HPLXTPGSIMOYRY-OOEARSIFSA-N
HMDB50336,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,44,47,57H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-,47-44-/t57-/m0/s1",QGDOXPOFBIOZLP,MJSXDSGDSA,N,"TG(20:1(11Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QGDOXPOFBIOZLP-MJSXDSGDSA-N
HMDB50337,860.819676578,C56H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-/t54-/m1/s1",GLKOYPUREHAWEW,NDVRFCLQSA,N,TG(20:1(11Z)/15:0/o-18:0),GLKOYPUREHAWEW-NDVRFCLQSA-N
HMDB50338,914.830241252,C59H110O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,56H,4-24,29-55H2,1-3H3/b27-25-,28-26-",LABRUJVSUYYTTA,LBXGSASVSA,N,TG(20:1(11Z)/16:0/20:1(11Z)),LABRUJVSUYYTTA-LBXGSASVSA-N
HMDB50339,910.798941124,C59H106O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31,34,39,42,56H,4-24,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b27-25-,28-26-,34-31-,42-39-",MRYMDAFAIBMLCO,DKDDBUPMSA,N,"TG(20:1(11Z)/16:0/20:3(5Z,8Z,11Z))",MRYMDAFAIBMLCO-DKDDBUPMSA-N
HMDB50340,942.861541391,C61H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,58H,4-24,29-57H2,1-3H3/b27-25-,28-26-/t58-/m0/s1",LBXWNIAXYWLNFI,QWUUBBNBSA,N,TG(20:1(11Z)/16:0/22:1(13Z)),LBXWNIAXYWLNFI-QWUUBBNBSA-N
HMDB50341,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,60H,4-24,29-59H2,1-3H3/b27-25-,28-26-/t60-/m0/s1",JLQZYULPGPGUBH,UXCFDMNKSA,N,TG(20:1(11Z)/16:0/24:1(15Z)),JLQZYULPGPGUBH-UXCFDMNKSA-N
HMDB50342,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,54H,4-16,18-19,21-24,28,30-53H2,1-3H3/b20-17-,27-25-,29-26-/t54-/m1/s1",MWGRLUDJZRTHTP,YIECYNBOSA,N,"TG(20:1(11Z)/16:0/18:2(9Z,12Z))",MWGRLUDJZRTHTP-YIECYNBOSA-N
HMDB50343,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,34,37,54H,4-16,18-19,21-24,28,30-33,35-36,38-53H2,1-3H3/b20-17-,27-25-,29-26-,37-34-/t54-/m1/s1",QYLDVVKRGAXESB,QPPZUIHUSA,N,"TG(20:1(11Z)/16:0/18:3(6Z,9Z,12Z))",QYLDVVKRGAXESB-QPPZUIHUSA-N
HMDB50344,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,56H,4-15,17-18,20-24,29-55H2,1-3H3/b19-16-,27-25-,28-26-/t56-/m1/s1",BXOTYXZJKOOJEO,XIEGOLAXSA,N,TG(20:1(11Z)/16:0/20:2n6),BXOTYXZJKOOJEO-XIEGOLAXSA-N
HMDB50345,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,34,56H,4-15,17-18,20-24,29-30,32-33,35-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-/t56-/m1/s1",VAPRKLNXZVNFDQ,STXVLANHSA,N,TG(20:1(11Z)/16:0/20:3n6),VAPRKLNXZVNFDQ-STXVLANHSA-N
HMDB50346,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,34,39,42,56H,4-15,17-18,20-24,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,42-39-/t56-/m1/s1",ZASMNYLNEJYOPY,VUXQHJKDSA,N,"TG(20:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))",ZASMNYLNEJYOPY-VUXQHJKDSA-N
HMDB50347,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,58H,4-15,17-18,20-24,29-57H2,1-3H3/b19-16-,27-25-,28-26-/t58-/m0/s1",OZBDLYCKVSSLBL,GBEOITIKSA,N,"TG(20:1(11Z)/16:0/22:2(13Z,16Z))",OZBDLYCKVSSLBL-GBEOITIKSA-N
HMDB50348,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,37,39,58H,4-15,17-18,20-24,29,31,33-36,38,40-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-37-/t58-/m0/s1",NHHZFMIURTVACU,XUUPHCPOSA,N,"TG(20:1(11Z)/16:0/22:4(7Z,10Z,13Z,16Z))",NHHZFMIURTVACU-XUUPHCPOSA-N
HMDB50349,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,37,39,45,48,58H,4-15,17-18,20-24,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-37-,48-45-/t58-/m0/s1",ISVJOGQEEBBYKE,NQTCZODUSA,N,"TG(20:1(11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",ISVJOGQEEBBYKE-NQTCZODUSA-N
HMDB50350,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,54H,4-7,9-10,12-16,18-19,21-24,28,30-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-/t54-/m1/s1",YTADVVFTTOMNKE,YKXTZBHWSA,N,"TG(20:1(11Z)/16:0/18:3(9Z,12Z,15Z))",YTADVVFTTOMNKE-YKXTZBHWSA-N
HMDB50351,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,34,37,54H,4-7,9-10,12-16,18-19,21-24,28,30-33,35-36,38-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,37-34-/t54-/m1/s1",WQMRXKLRGJHYMP,JEVVKXRESA,N,"TG(20:1(11Z)/16:0/18:4(6Z,9Z,12Z,15Z))",WQMRXKLRGJHYMP-JEVVKXRESA-N
HMDB50352,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,34,56H,4-6,8-9,11-15,17-18,20-24,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-/t56-/m1/s1",MQIURNMEJMDJDB,PFYJVQFASA,N,"TG(20:1(11Z)/16:0/20:4(8Z,11Z,14Z,17Z))",MQIURNMEJMDJDB-PFYJVQFASA-N
HMDB50353,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,34,39,42,56H,4-6,8-9,11-15,17-18,20-24,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,42-39-/t56-/m1/s1",REBHVPYAQABBLJ,HWPTXMQMSA,N,"TG(20:1(11Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",REBHVPYAQABBLJ-HWPTXMQMSA-N
HMDB50354,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,37,39,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-36,38,40-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-37-/t58-/m0/s1",MGRJQAWADACEHE,MGPUPGFWSA,N,"TG(20:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",MGRJQAWADACEHE-MGPUPGFWSA-N
HMDB50355,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,37,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-37-,48-45-/t58-/m0/s1",IUOYWPLDMMZLFS,LGOZQYAASA,N,"TG(20:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IUOYWPLDMMZLFS-LGOZQYAASA-N
HMDB50356,874.835326642,C57H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m1/s1",AYGOZGMOLWTELQ,DGWQIHMPSA,N,TG(20:1(11Z)/16:0/o-18:0),AYGOZGMOLWTELQ-DGWQIHMPSA-N
HMDB50357,942.86154138,C61H114O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,58H,4-24,27,30-57H2,1-3H3/b28-25-,29-26-",QOFVOYKNSFNVGG,RZEXXKRKSA,N,TG(20:1(11Z)/18:0/20:1(11Z)),QOFVOYKNSFNVGG-RZEXXKRKSA-N
HMDB50358,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33,35,41,44,58H,4-24,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b28-25-,29-26-,35-33-,44-41-/t58-/m1/s1",NIWWYTGJAYUGFA,PWKXCNRQSA,N,"TG(20:1(11Z)/18:0/20:3(5Z,8Z,11Z))",NIWWYTGJAYUGFA-PWKXCNRQSA-N
HMDB50359,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,60H,4-24,27,30-59H2,1-3H3/b28-25-,29-26-/t60-/m0/s1",ZROXJHNMTWXXSU,HQBPBTHXSA,N,TG(20:1(11Z)/18:0/22:1(13Z)),ZROXJHNMTWXXSU-HQBPBTHXSA-N
HMDB50360,998.924141648,C65H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-/t62-/m0/s1",KKFYXCCMYGTRTM,KUPCSHKGSA,N,TG(20:1(11Z)/18:0/24:1(15Z)),KKFYXCCMYGTRTM-KUPCSHKGSA-N
HMDB50361,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,30,56H,4-16,18-19,21-24,27,29,31-55H2,1-3H3/b20-17-,28-25-,30-26-/t56-/m1/s1",GRFGCYRGTMCASC,DMDKDVSCSA,N,"TG(20:1(11Z)/18:0/18:2(9Z,12Z))",GRFGCYRGTMCASC-DMDKDVSCSA-N
HMDB50362,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,30,36,39,56H,4-16,18-19,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b20-17-,28-25-,30-26-,39-36-/t56-/m1/s1",FLNQNGIEKQPPFO,IXQRBKTASA,N,"TG(20:1(11Z)/18:0/18:3(6Z,9Z,12Z))",FLNQNGIEKQPPFO-IXQRBKTASA-N
HMDB50363,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,58H,4-15,17-18,20-24,27,30-57H2,1-3H3/b19-16-,28-25-,29-26-/t58-/m1/s1",OMWMADGRZUDBNS,NOEVCDAPSA,N,TG(20:1(11Z)/18:0/20:2n6),OMWMADGRZUDBNS-NOEVCDAPSA-N
HMDB50364,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,58H,4-15,17-18,20-24,27,30-32,34,36-57H2,1-3H3/b19-16-,28-25-,29-26-,35-33-/t58-/m1/s1",JAPRMSLBZUSCAD,UPCBKKDWSA,N,TG(20:1(11Z)/18:0/20:3n6),JAPRMSLBZUSCAD-UPCBKKDWSA-N
HMDB50365,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,41,44,58H,4-15,17-18,20-24,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,44-41-/t58-/m1/s1",RMWCOUHBNYALHG,NRPZVRPMSA,N,"TG(20:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z))",RMWCOUHBNYALHG-NRPZVRPMSA-N
HMDB50366,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,60H,4-15,17-18,20-24,27,30-59H2,1-3H3/b19-16-,28-25-,29-26-/t60-/m0/s1",QDWJAQSRCULWCC,VOZBUZFHSA,N,"TG(20:1(11Z)/18:0/22:2(13Z,16Z))",QDWJAQSRCULWCC-VOZBUZFHSA-N
HMDB50367,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,38,41,60H,4-15,17-18,20-24,27,30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",JOXVEMDPPLURBQ,DOEHVUJYSA,N,"TG(20:1(11Z)/18:0/22:4(7Z,10Z,13Z,16Z))",JOXVEMDPPLURBQ-DOEHVUJYSA-N
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HMDB50369,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,30,56H,4-7,9-10,12-16,18-19,21-24,27,29,31-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-/t56-/m1/s1",GGPWPYTZADGYQN,GPIZUEHYSA,N,"TG(20:1(11Z)/18:0/18:3(9Z,12Z,15Z))",GGPWPYTZADGYQN-GPIZUEHYSA-N
HMDB50370,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,30,36,39,56H,4-7,9-10,12-16,18-19,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,39-36-/t56-/m1/s1",RKBLMVUTTALRTN,BPYWMONZSA,N,"TG(20:1(11Z)/18:0/18:4(6Z,9Z,12Z,15Z))",RKBLMVUTTALRTN-BPYWMONZSA-N
HMDB50371,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-/t58-/m1/s1",CCBOJUYUDSACIO,URSNUDBVSA,N,"TG(20:1(11Z)/18:0/20:4(8Z,11Z,14Z,17Z))",CCBOJUYUDSACIO-URSNUDBVSA-N
HMDB50372,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,41,44,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,44-41-/t58-/m1/s1",MDORQKFTEMSQHF,HGJWFITFSA,N,"TG(20:1(11Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",MDORQKFTEMSQHF-HGJWFITFSA-N
HMDB50373,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,38,41,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",ROEPCWTWFLVVNE,XUFMVWCYSA,N,"TG(20:1(11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",ROEPCWTWFLVVNE-XUFMVWCYSA-N
HMDB50374,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,41-38-,50-47-/t60-/m0/s1",JVLPAYWJRCAMTL,BTSZGIHPSA,N,"TG(20:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JVLPAYWJRCAMTL-BTSZGIHPSA-N
HMDB50375,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,28,57H,4-24,26-27,29-56H2,1-3H3/b28-25-/t57-/m1/s1",DNDQJEPSXBZSNW,DFOJIGQQSA,N,TG(20:1(11Z)/18:0/o-18:0),DNDQJEPSXBZSNW-DFOJIGQQSA-N
HMDB50376,970.892841508,C63H118O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,60H,4-24,27,30-59H2,1-3H3/b28-25-,29-26-",HIBOOXQOVDHKOV,RZEXXKRKSA,N,TG(20:1(11Z)/20:0/20:1(11Z)),HIBOOXQOVDHKOV-RZEXXKRKSA-N
HMDB50377,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,34,37,43,46,60H,4-24,27,30-33,35-36,38-42,44-45,47-59H2,1-3H3/b28-25-,29-26-,37-34-,46-43-/t60-/m1/s1",PQCPSTGNGBQVPR,IEWNCRJLSA,N,"TG(20:1(11Z)/20:0/20:3(5Z,8Z,11Z))",PQCPSTGNGBQVPR-IEWNCRJLSA-N
HMDB50378,998.924141648,C65H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-/t62-/m0/s1",MZIRETYGVWFPHV,KUPCSHKGSA,N,TG(20:1(11Z)/20:0/22:1(13Z)),MZIRETYGVWFPHV-KUPCSHKGSA-N
HMDB50379,1026.955441777,C67H126O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-/t64-/m0/s1",LSXDMWIJCKNVAI,GALFXKOHSA,N,TG(20:1(11Z)/20:0/24:1(15Z)),LSXDMWIJCKNVAI-GALFXKOHSA-N
HMDB50380,940.845891316,C61H112O6,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32,58H,4-17,19-20,22-24,26,29-31,33-57H2,1-3H3/b21-18-,28-25-,32-27-/t58-/m1/s1",WYUNJFXMLHILJN,MSTBSTCSSA,N,"TG(20:1(11Z)/20:0/18:2(9Z,12Z))",WYUNJFXMLHILJN-MSTBSTCSSA-N
HMDB50381,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32,38,41,58H,4-17,19-20,22-24,26,29-31,33-37,39-40,42-57H2,1-3H3/b21-18-,28-25-,32-27-,41-38-/t58-/m1/s1",VTOFANRVVFEBFP,VMHGLACNSA,N,"TG(20:1(11Z)/20:0/18:3(6Z,9Z,12Z))",VTOFANRVVFEBFP-VMHGLACNSA-N
HMDB50382,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,60H,4-15,17-18,20-24,27,30-59H2,1-3H3/b19-16-,28-25-,29-26-/t60-/m1/s1",OOPMCEWTZJHXQW,NSCYWTOESA,N,TG(20:1(11Z)/20:0/20:2n6),OOPMCEWTZJHXQW-NSCYWTOESA-N
HMDB50383,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,60H,4-15,17-18,20-24,27,30-33,35-36,38-59H2,1-3H3/b19-16-,28-25-,29-26-,37-34-/t60-/m1/s1",IDGIWWVXFKHRCG,JNOSERLFSA,N,TG(20:1(11Z)/20:0/20:3n6),IDGIWWVXFKHRCG-JNOSERLFSA-N
HMDB50384,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,43,46,60H,4-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,46-43-/t60-/m1/s1",UEUMJNZAUWBSAC,RDMJPJAWSA,N,"TG(20:1(11Z)/20:0/20:4(5Z,8Z,11Z,14Z))",UEUMJNZAUWBSAC-RDMJPJAWSA-N
HMDB50385,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,62H,4-15,17-18,20-24,27,30-61H2,1-3H3/b19-16-,28-25-,29-26-/t62-/m0/s1",PSULKQYYHWJASV,AJYPDSEHSA,N,"TG(20:1(11Z)/20:0/22:2(13Z,16Z))",PSULKQYYHWJASV-AJYPDSEHSA-N
HMDB50386,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,40,43,62H,4-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,43-40-/t62-/m0/s1",MXAYOLVTQXVUMW,MMPYLHJDSA,N,"TG(20:1(11Z)/20:0/22:4(7Z,10Z,13Z,16Z))",MXAYOLVTQXVUMW-MMPYLHJDSA-N
HMDB50387,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,40,43,49,52,62H,4-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,43-40-,52-49-/t62-/m0/s1",GDGGHBYIPTXBHF,UGKCLHIJSA,N,"TG(20:1(11Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",GDGGHBYIPTXBHF-UGKCLHIJSA-N
HMDB50388,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,33-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-/t58-/m1/s1",KTHQCAZXMMMJNI,VSVWVITESA,N,"TG(20:1(11Z)/20:0/18:3(9Z,12Z,15Z))",KTHQCAZXMMMJNI-VSVWVITESA-N
HMDB50389,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32,38,41,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,33-37,39-40,42-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-,41-38-/t58-/m1/s1",VEJIGIVKGYUIIP,PCKWKQBVSA,N,"TG(20:1(11Z)/20:0/18:4(6Z,9Z,12Z,15Z))",VEJIGIVKGYUIIP-PCKWKQBVSA-N
HMDB50390,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,60H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-/t60-/m1/s1",YFMDCVKFNONJOO,HUOUOZGCSA,N,"TG(20:1(11Z)/20:0/20:4(8Z,11Z,14Z,17Z))",YFMDCVKFNONJOO-HUOUOZGCSA-N
HMDB50391,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,43,46,60H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-,46-43-/t60-/m1/s1",YWMXFRKULOXAPT,MRGJCOISSA,N,"TG(20:1(11Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",YWMXFRKULOXAPT-MRGJCOISSA-N
HMDB50392,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,40,43,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,43-40-/t62-/m0/s1",CJQMTSAJOJLTPY,MPCQWXFPSA,N,"TG(20:1(11Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",CJQMTSAJOJLTPY-MPCQWXFPSA-N
HMDB50393,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,43-40-,52-49-/t62-/m0/s1",KLSIETHBJHNISJ,UEOGYHNFSA,N,"TG(20:1(11Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KLSIETHBJHNISJ-UEOGYHNFSA-N
HMDB50394,930.8979269,C61H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-/t59-/m1/s1",ZPFYNOKXPRPBMK,VHEGMGFBSA,N,TG(20:1(11Z)/20:0/o-18:0),ZPFYNOKXPRPBMK-VHEGMGFBSA-N
HMDB50395,998.924141636,C65H122O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,62H,4-25,28,31-61H2,1-3H3/b29-26-,30-27-",CCNYJCYZEPHWLM,MIFGFRIJSA,N,TG(20:1(11Z)/22:0/20:1(11Z)),CCNYJCYZEPHWLM-MIFGFRIJSA-N
HMDB50396,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,36,39,45,48,62H,4-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",MDIBFPUANPEJSG,GJOXEFJCSA,N,"TG(20:1(11Z)/22:0/20:3(5Z,8Z,11Z))",MDIBFPUANPEJSG-GJOXEFJCSA-N
HMDB50397,1026.955441777,C67H126O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,64H,4-24,26,29,31-63H2,1-3H3/b28-25-,30-27-/t64-/m0/s1",GKVLIVOSFOZBGX,OXDZHLAISA,N,TG(20:1(11Z)/22:0/22:1(13Z)),GKVLIVOSFOZBGX-OXDZHLAISA-N
HMDB50398,1054.986741906,C69H130O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,66H,4-24,26,29,31-65H2,1-3H3/b28-25-,30-27-/t66-/m0/s1",ULAZRMSWVRPECP,QCPVGASCSA,N,TG(20:1(11Z)/22:0/24:1(15Z)),ULAZRMSWVRPECP-QCPVGASCSA-N
HMDB50399,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,60H,4-17,19-20,22-25,28,30-33,35-59H2,1-3H3/b21-18-,29-26-,34-27-/t60-/m1/s1",XEGBEKAAVUQJRL,NYUYSZTLSA,N,"TG(20:1(11Z)/22:0/18:2(9Z,12Z))",XEGBEKAAVUQJRL-NYUYSZTLSA-N
HMDB50400,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,40,43,60H,4-17,19-20,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b21-18-,29-26-,34-27-,43-40-/t60-/m1/s1",FRAQRWVCMZTLGK,RGDGXKHXSA,N,"TG(20:1(11Z)/22:0/18:3(6Z,9Z,12Z))",FRAQRWVCMZTLGK-RGDGXKHXSA-N
HMDB50401,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,62H,4-16,18-19,21-25,28,31-61H2,1-3H3/b20-17-,29-26-,30-27-/t62-/m1/s1",HRRPYGVKNVOFQI,PNSPNGJQSA,N,TG(20:1(11Z)/22:0/20:2n6),HRRPYGVKNVOFQI-PNSPNGJQSA-N
HMDB50402,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36,39,62H,4-16,18-19,21-25,28,31-35,37-38,40-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-/t62-/m1/s1",MDEGGFBXIGFYQE,VEQZWHHMSA,N,TG(20:1(11Z)/22:0/20:3n6),MDEGGFBXIGFYQE-VEQZWHHMSA-N
HMDB50403,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36,39,45,48,62H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",LWOWXKDDOIPBPH,ZFTYDZEGSA,N,"TG(20:1(11Z)/22:0/20:4(5Z,8Z,11Z,14Z))",LWOWXKDDOIPBPH-ZFTYDZEGSA-N
HMDB50404,1024.939791713,C67H124O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,64H,4-15,17-18,20-24,26,29,31-63H2,1-3H3/b19-16-,28-25-,30-27-/t64-/m0/s1",BAPGDJXQBUQYIH,SLUMNEHCSA,N,"TG(20:1(11Z)/22:0/22:2(13Z,16Z))",BAPGDJXQBUQYIH-SLUMNEHCSA-N
HMDB50405,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,42,45,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,45-42-/t64-/m0/s1",KORRFDUOBASUJO,WDAXCBQCSA,N,"TG(20:1(11Z)/22:0/22:4(7Z,10Z,13Z,16Z))",KORRFDUOBASUJO-WDAXCBQCSA-N
HMDB50406,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,42,45,51,54,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",ZTNCIVPWUDXVSV,DTVMVUDVSA,N,"TG(20:1(11Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZTNCIVPWUDXVSV-DTVMVUDVSA-N
HMDB50407,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-/t60-/m1/s1",UTZVSOSRMZACPL,ROPUVPJDSA,N,"TG(20:1(11Z)/22:0/18:3(9Z,12Z,15Z))",UTZVSOSRMZACPL-ROPUVPJDSA-N
HMDB50408,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,40,43,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,43-40-/t60-/m1/s1",SAVXWGBSAALXPY,XUBHAFIFSA,N,"TG(20:1(11Z)/22:0/18:4(6Z,9Z,12Z,15Z))",SAVXWGBSAALXPY-XUBHAFIFSA-N
HMDB50409,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36,39,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-/t62-/m1/s1",XKTQFBUUQLEVIA,ZEFZHNNKSA,N,"TG(20:1(11Z)/22:0/20:4(8Z,11Z,14Z,17Z))",XKTQFBUUQLEVIA-ZEFZHNNKSA-N
HMDB50410,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",ZNNRHPBTCFCWDC,TXVPVATRSA,N,"TG(20:1(11Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZNNRHPBTCFCWDC-TXVPVATRSA-N
HMDB50411,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,42,45,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,45-42-/t64-/m0/s1",ZKNKWKQPJCFMRH,IMECMIEESA,N,"TG(20:1(11Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",ZKNKWKQPJCFMRH-IMECMIEESA-N
HMDB50412,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,42,45,51,54,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",STBGJKURJKOHRG,JKOJJGTCSA,N,"TG(20:1(11Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",STBGJKURJKOHRG-JKOJJGTCSA-N
HMDB50413,958.929227028,C63H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h26,29,61H,4-25,27-28,30-60H2,1-3H3/b29-26-/t61-/m1/s1",PQLKPQSCLYKAEF,SFTFLQKMSA,N,TG(20:1(11Z)/22:0/o-18:0),PQLKPQSCLYKAEF-SFTFLQKMSA-N
HMDB50414,1026.955441764,C67H126O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,64H,4-25,28,31-63H2,1-3H3/b29-26-,30-27-",XWGRJCVJYZJUMR,MIFGFRIJSA,N,TG(20:1(11Z)/24:0/20:1(11Z)),XWGRJCVJYZJUMR-MIFGFRIJSA-N
HMDB50415,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,38,41,47,50,64H,4-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",WSQYCNNCTZAARP,SVTHOBAPSA,N,"TG(20:1(11Z)/24:0/20:3(5Z,8Z,11Z))",WSQYCNNCTZAARP-SVTHOBAPSA-N
HMDB50416,1054.986741906,C69H130O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,66H,4-25,28,31-65H2,1-3H3/b29-26-,30-27-/t66-/m0/s1",KLDZIBFOCOAVNJ,HMPYFOMSSA,N,TG(20:1(11Z)/24:0/22:1(13Z)),KLDZIBFOCOAVNJ-HMPYFOMSSA-N
HMDB50417,1083.018042035,C71H134O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,68H,4-24,26,29,31-67H2,1-3H3/b28-25-,30-27-/t68-/m0/s1",ITUAWFJXBQJCIK,KCYFWPKFSA,N,TG(20:1(11Z)/24:0/24:1(15Z)),ITUAWFJXBQJCIK-KCYFWPKFSA-N
HMDB50418,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,62H,4-17,19-20,22-25,28,30-35,37-61H2,1-3H3/b21-18-,29-26-,36-27-/t62-/m1/s1",BABZQDMHFJIVTP,DNTNZWHXSA,N,"TG(20:1(11Z)/24:0/18:2(9Z,12Z))",BABZQDMHFJIVTP-DNTNZWHXSA-N
HMDB50419,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,42,45,62H,4-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,29-26-,36-27-,45-42-/t62-/m1/s1",CPKAVRFAJOLJLG,RJDBVKPPSA,N,"TG(20:1(11Z)/24:0/18:3(6Z,9Z,12Z))",CPKAVRFAJOLJLG-RJDBVKPPSA-N
HMDB50420,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,64H,4-16,18-19,21-25,28,31-63H2,1-3H3/b20-17-,29-26-,30-27-/t64-/m1/s1",RTHURYWGUMKKOZ,MBGADOIYSA,N,TG(20:1(11Z)/24:0/20:2n6),RTHURYWGUMKKOZ-MBGADOIYSA-N
HMDB50421,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,38,41,64H,4-16,18-19,21-25,28,31-37,39-40,42-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-/t64-/m1/s1",REAKWDVLJUMCOU,WZZAKVBQSA,N,TG(20:1(11Z)/24:0/20:3n6),REAKWDVLJUMCOU-WZZAKVBQSA-N
HMDB50422,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,38,41,47,50,64H,4-16,18-19,21-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",APPMWROUYPYBKR,LLUSZMQPSA,N,"TG(20:1(11Z)/24:0/20:4(5Z,8Z,11Z,14Z))",APPMWROUYPYBKR-LLUSZMQPSA-N
HMDB50423,1052.971091842,C69H128O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,66H,4-16,18-19,21-25,28,31-65H2,1-3H3/b20-17-,29-26-,30-27-/t66-/m0/s1",WQHLPEDVPLVHMR,AYJIMOFOSA,N,"TG(20:1(11Z)/24:0/22:2(13Z,16Z))",WQHLPEDVPLVHMR-AYJIMOFOSA-N
HMDB50424,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,44,47,66H,4-16,18-19,21-25,28,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,47-44-/t66-/m0/s1",RVBOFSDXCZPOQU,HOLXREFFSA,N,"TG(20:1(11Z)/24:0/22:4(7Z,10Z,13Z,16Z))",RVBOFSDXCZPOQU-HOLXREFFSA-N
HMDB50425,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,44,47,53,56,66H,4-16,18-19,21-25,28,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,47-44-,56-53-/t66-/m0/s1",AQNPOWHUQWXQQR,MYDUJPISSA,N,"TG(20:1(11Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",AQNPOWHUQWXQQR-MYDUJPISSA-N
HMDB50426,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-/t62-/m1/s1",GKNMOZUGIDONEK,YDWNVGIRSA,N,"TG(20:1(11Z)/24:0/18:3(9Z,12Z,15Z))",GKNMOZUGIDONEK-YDWNVGIRSA-N
HMDB50427,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,42,45,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,45-42-/t62-/m1/s1",WOSIHMPPLOJNFQ,AWQYANJLSA,N,"TG(20:1(11Z)/24:0/18:4(6Z,9Z,12Z,15Z))",WOSIHMPPLOJNFQ-AWQYANJLSA-N
HMDB50428,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,38,41,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-/t64-/m1/s1",DPVALDGLXMLFDH,UGVZLFPXSA,N,"TG(20:1(11Z)/24:0/20:4(8Z,11Z,14Z,17Z))",DPVALDGLXMLFDH-UGVZLFPXSA-N
HMDB50429,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",XXYFJKYKCCCCNK,HTXBQAPWSA,N,"TG(20:1(11Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",XXYFJKYKCCCCNK-HTXBQAPWSA-N
HMDB50430,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,44,47,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,47-44-/t66-/m0/s1",UHOYRSYMYMMSAL,PEHKQNGUSA,N,"TG(20:1(11Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",UHOYRSYMYMMSAL-PEHKQNGUSA-N
HMDB50431,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,44,47,53,56,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,47-44-,56-53-/t66-/m0/s1",YLBSRZNCLQYPSS,UUEHJPBSSA,N,"TG(20:1(11Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YLBSRZNCLQYPSS-UUEHJPBSSA-N
HMDB50432,986.960527157,C65H126O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h26,29,63H,4-25,27-28,30-62H2,1-3H3/b29-26-/t63-/m1/s1",DAPYEKRIEDAXIC,GDMFYWOWSA,N,TG(20:1(11Z)/24:0/o-18:0),DAPYEKRIEDAXIC-GDMFYWOWSA-N
HMDB50433,884.78329106,C57H104O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,54H,4-14,16-17,19-23,28-53H2,1-3H3/b18-15-,26-24-,27-25-",AVDYVPMWQRDZRZ,JEDOZFSMSA,N,TG(20:1(11Z)/14:1(9Z)/20:1(11Z)),AVDYVPMWQRDZRZ-JEDOZFSMSA-N
HMDB50434,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,30,32,37,40,54H,4-14,16-17,19-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b18-15-,26-24-,27-25-,32-30-,40-37-/t54-/m1/s1",JYSAOWHMYRNKSW,DLNVTLNRSA,N,"TG(20:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))",JYSAOWHMYRNKSW-DLNVTLNRSA-N
HMDB50435,912.814591198,C59H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,56H,4-14,16-17,19-23,28-55H2,1-3H3/b18-15-,26-24-,27-25-/t56-/m0/s1",UFZZTQANLGCYRG,UPPKVXKMSA,N,TG(20:1(11Z)/14:1(9Z)/22:1(13Z)),UFZZTQANLGCYRG-UPPKVXKMSA-N
HMDB50436,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,58H,4-14,16-17,19-23,28-57H2,1-3H3/b18-15-,26-24-,27-25-/t58-/m0/s1",RBUWIFMTDWYJEN,KCPLLMEXSA,N,TG(20:1(11Z)/14:1(9Z)/24:1(15Z)),RBUWIFMTDWYJEN-KCPLLMEXSA-N
HMDB50437,854.736340876,C55H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,28,52H,4-14,16,19,21-23,27,29-51H2,1-3H3/b18-15-,20-17-,26-24-,28-25-/t52-/m1/s1",PSTHFOFXKGAPEB,WOVOSWEDSA,N,"TG(20:1(11Z)/14:1(9Z)/18:2(9Z,12Z))",PSTHFOFXKGAPEB-WOVOSWEDSA-N
HMDB50438,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,28,33,35,52H,4-14,16,19,21-23,27,29-32,34,36-51H2,1-3H3/b18-15-,20-17-,26-24-,28-25-,35-33-/t52-/m1/s1",YZEITGDSYFHHEK,AIUKGPHHSA,N,"TG(20:1(11Z)/14:1(9Z)/18:3(6Z,9Z,12Z))",YZEITGDSYFHHEK-AIUKGPHHSA-N
HMDB50439,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,54H,4-14,17,20-23,28-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-/t54-/m1/s1",APYYLLXHUQMDDS,IQKRTTMSSA,N,TG(20:1(11Z)/14:1(9Z)/20:2n6),APYYLLXHUQMDDS-IQKRTTMSSA-N
HMDB50440,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,54H,4-14,17,20-23,28-29,31,33-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-/t54-/m1/s1",MIFIJCHVVASRCZ,UMNWWONZSA,N,TG(20:1(11Z)/14:1(9Z)/20:3n6),MIFIJCHVVASRCZ-UMNWWONZSA-N
HMDB50441,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,37,40,54H,4-14,17,20-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,40-37-/t54-/m1/s1",GJYPCWAVULXFBM,PJWMDMPSSA,N,"TG(20:1(11Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",GJYPCWAVULXFBM-PJWMDMPSSA-N
HMDB50442,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,56H,4-14,17,20-23,28-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-/t56-/m0/s1",INDNIKGDABXIMD,SUTRYUEYSA,N,"TG(20:1(11Z)/14:1(9Z)/22:2(13Z,16Z))",INDNIKGDABXIMD-SUTRYUEYSA-N
HMDB50443,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,35,38,56H,4-14,17,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",ZEJKJTVOXUSZPA,WIPCBZQYSA,N,"TG(20:1(11Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",ZEJKJTVOXUSZPA-WIPCBZQYSA-N
HMDB50444,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,35,38,43,46,56H,4-14,17,20-23,28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,38-35-,46-43-/t56-/m0/s1",KSLQPZARQJAVGF,HUHQHOJASA,N,"TG(20:1(11Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KSLQPZARQJAVGF-HUHQHOJASA-N
HMDB50445,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28,52H,4-7,9-10,12-14,16,19,21-23,27,29-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-/t52-/m1/s1",KEGWRTMECYJUBP,LTASUQRYSA,N,"TG(20:1(11Z)/14:1(9Z)/18:3(9Z,12Z,15Z))",KEGWRTMECYJUBP-LTASUQRYSA-N
HMDB50446,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28,33,35,52H,4-7,9-10,12-14,16,19,21-23,27,29-32,34,36-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,35-33-/t52-/m1/s1",ODCNFRPNIVKBAK,JQZUSHEDSA,N,"TG(20:1(11Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",ODCNFRPNIVKBAK-JQZUSHEDSA-N
HMDB50447,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,54H,4-6,8-9,11-14,17,20-23,28-29,31,33-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-/t54-/m1/s1",DHLSSEYTBJAEKO,LMZOBUCZSA,N,"TG(20:1(11Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",DHLSSEYTBJAEKO-LMZOBUCZSA-N
HMDB50448,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,37,40,54H,4-6,8-9,11-14,17,20-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,40-37-/t54-/m1/s1",LNQLBJSMYGZRRA,DSUATFLHSA,N,"TG(20:1(11Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LNQLBJSMYGZRRA-DSUATFLHSA-N
HMDB50449,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,35,38,56H,4-6,8-9,11-14,17,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",ATPQSPUPGSVDAJ,KCPDZCGYSA,N,"TG(20:1(11Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ATPQSPUPGSVDAJ-KCPDZCGYSA-N
HMDB50450,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,35,38,43,46,56H,4-6,8-9,11-14,17,20-23,28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,38-35-,46-43-/t56-/m0/s1",OKRSSVDYRLZWBG,AKCLRYHASA,N,"TG(20:1(11Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OKRSSVDYRLZWBG-AKCLRYHASA-N
HMDB50451,844.788376449,C55H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,53H,4-14,16-17,19-23,25,27-52H2,1-3H3/b18-15-,26-24-/t53-/m1/s1",RIJRBSMXGGPJGQ,VFUDMDFKSA,N,TG(20:1(11Z)/14:1(9Z)/o-18:0),RIJRBSMXGGPJGQ-VFUDMDFKSA-N
HMDB50452,912.814591188,C59H108O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,56H,4-20,22-23,29-55H2,1-3H3/b24-21-,27-25-,28-26-",WITXJBKDAOIUPY,CABVQDRLSA,N,TG(20:1(11Z)/16:1(9Z)/20:1(11Z)),WITXJBKDAOIUPY-CABVQDRLSA-N
HMDB50453,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,31,34,39,42,56H,4-20,22-23,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b24-21-,27-25-,28-26-,34-31-,42-39-/t56-/m1/s1",RAMOLJRCXADXNE,IYUJVJDXSA,N,"TG(20:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))",RAMOLJRCXADXNE-IYUJVJDXSA-N
HMDB50454,940.845891326,C61H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,58H,4-20,22-23,29-57H2,1-3H3/b24-21-,27-25-,28-26-/t58-/m0/s1",SIYFOTCMVVGGPK,HGHZMINCSA,N,TG(20:1(11Z)/16:1(9Z)/22:1(13Z)),SIYFOTCMVVGGPK-HGHZMINCSA-N
HMDB50455,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,60H,4-20,22-23,29-59H2,1-3H3/b24-21-,27-25-,28-26-/t60-/m0/s1",LZYPGVKOHKHDAD,TZDGBVHQSA,N,TG(20:1(11Z)/16:1(9Z)/24:1(15Z)),LZYPGVKOHKHDAD-TZDGBVHQSA-N
HMDB50456,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,54H,4-16,18-19,22-23,28,30-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-/t54-/m1/s1",XAHFVLNVNUAPSO,YJXCAZQISA,N,"TG(20:1(11Z)/16:1(9Z)/18:2(9Z,12Z))",XAHFVLNVNUAPSO-YJXCAZQISA-N
HMDB50457,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,34,37,54H,4-16,18-19,22-23,28,30-33,35-36,38-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,37-34-/t54-/m1/s1",OHIKEWGTVMTPFC,GFNRGQKQSA,N,"TG(20:1(11Z)/16:1(9Z)/18:3(6Z,9Z,12Z))",OHIKEWGTVMTPFC-GFNRGQKQSA-N
HMDB50458,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,56H,4-15,17-18,20,22-23,29-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t56-/m1/s1",NPOCNWVMXVXCHH,VMRHLXDRSA,N,TG(20:1(11Z)/16:1(9Z)/20:2n6),NPOCNWVMXVXCHH-VMRHLXDRSA-N
HMDB50459,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,34,56H,4-15,17-18,20,22-23,29-30,32-33,35-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-/t56-/m1/s1",NMCPJGNCIRRQQB,VTZWHLTGSA,N,TG(20:1(11Z)/16:1(9Z)/20:3n6),NMCPJGNCIRRQQB-VTZWHLTGSA-N
HMDB50460,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,34,39,42,56H,4-15,17-18,20,22-23,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,42-39-/t56-/m1/s1",APUKKOGVLJYUFM,RWWBNRFNSA,N,"TG(20:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",APUKKOGVLJYUFM-RWWBNRFNSA-N
HMDB50461,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,58H,4-15,17-18,20,22-23,29-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t58-/m0/s1",MEITWFTUQYDSIT,CMFUBODHSA,N,"TG(20:1(11Z)/16:1(9Z)/22:2(13Z,16Z))",MEITWFTUQYDSIT-CMFUBODHSA-N
HMDB50462,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,37,39,58H,4-15,17-18,20,22-23,29,31,33-36,38,40-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,39-37-/t58-/m0/s1",TXJGLXRJANVVRR,OMQIHDGASA,N,"TG(20:1(11Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",TXJGLXRJANVVRR-OMQIHDGASA-N
HMDB50463,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,37,39,45,48,58H,4-15,17-18,20,22-23,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,39-37-,48-45-/t58-/m0/s1",ZWNNUFYYEFPSPF,GDPDXQOPSA,N,"TG(20:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZWNNUFYYEFPSPF-GDPDXQOPSA-N
HMDB50464,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,54H,4-7,9-10,12-16,18-19,22-23,28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-/t54-/m1/s1",HLXCIVKTQOCSJO,VOFAGOTGSA,N,"TG(20:1(11Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",HLXCIVKTQOCSJO-VOFAGOTGSA-N
HMDB50465,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,34,37,54H,4-7,9-10,12-16,18-19,22-23,28,30-33,35-36,38-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,37-34-/t54-/m1/s1",NROIEGPKTDLCRW,MUNLVKGDSA,N,"TG(20:1(11Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",NROIEGPKTDLCRW-MUNLVKGDSA-N
HMDB50466,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,34,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-/t56-/m1/s1",GPONHYXOCKFXDM,YTDLLFEOSA,N,"TG(20:1(11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",GPONHYXOCKFXDM-YTDLLFEOSA-N
HMDB50467,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,34,39,42,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,42-39-/t56-/m1/s1",VUAMZWFBFNEPQJ,RIEIUQFJSA,N,"TG(20:1(11Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VUAMZWFBFNEPQJ-RIEIUQFJSA-N
HMDB50468,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,37,39,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-36,38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,39-37-/t58-/m0/s1",MEAPAWYKJBWOTN,OWMRXPCFSA,N,"TG(20:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MEAPAWYKJBWOTN-OWMRXPCFSA-N
HMDB50469,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,37,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,39-37-,48-45-/t58-/m0/s1",CKLMPSHXOVJCMV,OGSSIZGLSA,N,"TG(20:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CKLMPSHXOVJCMV-OGSSIZGLSA-N
HMDB50470,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,55H,4-20,22-23,26,28-54H2,1-3H3/b24-21-,27-25-/t55-/m1/s1",ZKOKOTBAEJPNNJ,UJZFYVSQSA,N,TG(20:1(11Z)/16:1(9Z)/o-18:0),ZKOKOTBAEJPNNJ-UJZFYVSQSA-N
HMDB50471,940.845891316,C61H112O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,58H,4-20,22-23,27,30-57H2,1-3H3/b24-21-,28-25-,29-26-",PIMPYDZIXKACMS,HGKIKGFLSA,N,TG(20:1(11Z)/18:1(11Z)/20:1(11Z)),PIMPYDZIXKACMS-HGKIKGFLSA-N
HMDB50472,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,33,35,41,44,58H,4-20,22-23,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b24-21-,28-25-,29-26-,35-33-,44-41-/t58-/m1/s1",PZNOMBAOBKCBKT,GGONNSMBSA,N,"TG(20:1(11Z)/18:1(11Z)/20:3(5Z,8Z,11Z))",PZNOMBAOBKCBKT-GGONNSMBSA-N
HMDB50473,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,60H,4-20,22-23,27,30-59H2,1-3H3/b24-21-,28-25-,29-26-/t60-/m0/s1",BTOBYBZBYYITRI,UBYAYVOWSA,N,TG(20:1(11Z)/18:1(11Z)/22:1(13Z)),BTOBYBZBYYITRI-UBYAYVOWSA-N
HMDB50474,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,62H,4-20,22-23,27,30-61H2,1-3H3/b24-21-,28-25-,29-26-/t62-/m0/s1",KMWXXKLRCCTJJH,BKXXLPPVSA,N,TG(20:1(11Z)/18:1(11Z)/24:1(15Z)),KMWXXKLRCCTJJH-BKXXLPPVSA-N
HMDB50475,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,30,56H,4-16,18-19,22-23,27,29,31-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-/t56-/m1/s1",BHBSZVGMJCXXIS,AYEWUODQSA,N,"TG(20:1(11Z)/18:1(11Z)/18:2(9Z,12Z))",BHBSZVGMJCXXIS-AYEWUODQSA-N
HMDB50476,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,30,36,39,56H,4-16,18-19,22-23,27,29,31-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,39-36-/t56-/m1/s1",OHYFZFLLIZGLGR,WNFSKLBWSA,N,"TG(20:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))",OHYFZFLLIZGLGR-WNFSKLBWSA-N
HMDB50477,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,58H,4-15,17-18,20,22-23,27,30-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-/t58-/m1/s1",BHMRNZLOEIYPSM,AZOPEHHSSA,N,TG(20:1(11Z)/18:1(11Z)/20:2n6),BHMRNZLOEIYPSM-AZOPEHHSSA-N
HMDB50478,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,35,58H,4-15,17-18,20,22-23,27,30-32,34,36-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-/t58-/m1/s1",LOKPXWJIBRISCF,IMZJPNSGSA,N,TG(20:1(11Z)/18:1(11Z)/20:3n6),LOKPXWJIBRISCF-IMZJPNSGSA-N
HMDB50479,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,35,41,44,58H,4-15,17-18,20,22-23,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-,44-41-/t58-/m1/s1",NBLDZFPJTVHBGJ,ZUWFBOPESA,N,"TG(20:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",NBLDZFPJTVHBGJ-ZUWFBOPESA-N
HMDB50480,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,60H,4-15,17-18,20,22-23,27,30-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-/t60-/m0/s1",SLNSNTKFZUABKK,RLLXGZCISA,N,"TG(20:1(11Z)/18:1(11Z)/22:2(13Z,16Z))",SLNSNTKFZUABKK-RLLXGZCISA-N
HMDB50481,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,38,41,60H,4-15,17-18,20,22-23,27,30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",AZCFJOQBPCTUJB,IZQQJYTASA,N,"TG(20:1(11Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",AZCFJOQBPCTUJB-IZQQJYTASA-N
HMDB50482,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,41-38-,50-47-/t60-/m0/s1",SZOOARVQOQAKBR,UVOVYMOUSA,N,"TG(20:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SZOOARVQOQAKBR-UVOVYMOUSA-N
HMDB50483,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,30,56H,4-7,9-10,12-16,18-19,22-23,27,29,31-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-/t56-/m1/s1",JWYOQVBFVZWMLF,XNENXHFMSA,N,"TG(20:1(11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",JWYOQVBFVZWMLF-XNENXHFMSA-N
HMDB50484,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,30,36,39,56H,4-7,9-10,12-16,18-19,22-23,27,29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,39-36-/t56-/m1/s1",LAWYFUPCUSTEPY,AYOJUTMSSA,N,"TG(20:1(11Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",LAWYFUPCUSTEPY-AYOJUTMSSA-N
HMDB50485,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,35,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34,36-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-/t58-/m1/s1",AGJKEOLEAMPFRL,YNZZMIMLSA,N,"TG(20:1(11Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",AGJKEOLEAMPFRL-YNZZMIMLSA-N
HMDB50486,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,35,41,44,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-,44-41-/t58-/m1/s1",AVUVMHPOHPNWBU,XFTOFDMVSA,N,"TG(20:1(11Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",AVUVMHPOHPNWBU-XFTOFDMVSA-N
HMDB50487,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",FUFWSZPYQLEYSJ,GOQTZBNISA,N,"TG(20:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FUFWSZPYQLEYSJ-GOQTZBNISA-N
HMDB50488,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,41-38-,50-47-/t60-/m0/s1",VXEUWHHXKKJFHJ,NAIBVRFTSA,N,"TG(20:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VXEUWHHXKKJFHJ-NAIBVRFTSA-N
HMDB50489,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,57H,4-20,22-23,26-27,29-56H2,1-3H3/b24-21-,28-25-/t57-/m1/s1",LQFACPSTFHEEKK,BMOJGYJNSA,N,TG(20:1(11Z)/18:1(11Z)/o-18:0),LQFACPSTFHEEKK-BMOJGYJNSA-N
HMDB50490,940.845891316,C61H112O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,32,58H,4-24,30-31,33-57H2,1-3H3/b28-25-,29-26-,32-27-",IFNVGGQCIPHTPE,CNZAGKLZSA,N,TG(20:1(11Z)/18:1(9Z)/20:1(11Z)),IFNVGGQCIPHTPE-CNZAGKLZSA-N
HMDB50491,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,32-33,35,41,44,58H,4-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",BYRZZQWPTFUAMM,AUFNCAFYSA,N,"TG(20:1(11Z)/18:1(9Z)/20:3(5Z,8Z,11Z))",BYRZZQWPTFUAMM-AUFNCAFYSA-N
HMDB50492,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-29,34,60H,4-24,30-33,35-59H2,1-3H3/b28-25-,29-26-,34-27-/t60-/m0/s1",IIVRPCVURYXRKJ,MEYRNFQCSA,N,TG(20:1(11Z)/18:1(9Z)/22:1(13Z)),IIVRPCVURYXRKJ-MEYRNFQCSA-N
HMDB50493,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h25-29,36,62H,4-24,30-35,37-61H2,1-3H3/b28-25-,29-26-,36-27-/t62-/m0/s1",UEQXUXGVHBBQIP,YUDMOGFUSA,N,TG(20:1(11Z)/18:1(9Z)/24:1(15Z)),UEQXUXGVHBBQIP-YUDMOGFUSA-N
HMDB50494,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,25-28,30-31,56H,4-16,18-19,21-24,29,32-55H2,1-3H3/b20-17-,28-25-,30-26-,31-27-/t56-/m1/s1",FQSLNIHJGIRDMF,PKNLDCQQSA,N,"TG(20:1(11Z)/18:1(9Z)/18:2(9Z,12Z))",FQSLNIHJGIRDMF-PKNLDCQQSA-N
HMDB50495,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,25-28,30-31,36,39,56H,4-16,18-19,21-24,29,32-35,37-38,40-55H2,1-3H3/b20-17-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",UGHYTXYTLRPBGI,UANXXUFXSA,N,"TG(20:1(11Z)/18:1(9Z)/18:3(6Z,9Z,12Z))",UGHYTXYTLRPBGI-UANXXUFXSA-N
HMDB50496,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32,58H,4-15,17-18,20-24,30-31,33-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-/t58-/m1/s1",UNXLYVQSTSVPKP,PNLGGNKPSA,N,TG(20:1(11Z)/18:1(9Z)/20:2n6),UNXLYVQSTSVPKP-PNLGGNKPSA-N
HMDB50497,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-33,35,58H,4-15,17-18,20-24,30-31,34,36-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,35-33-/t58-/m1/s1",SXRCUSJOCSAKRO,YDADFXJRSA,N,TG(20:1(11Z)/18:1(9Z)/20:3n6),SXRCUSJOCSAKRO-YDADFXJRSA-N
HMDB50498,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-33,35,41,44,58H,4-15,17-18,20-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",YYWYUWGFYACVMG,HQUJYOKNSA,N,"TG(20:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",YYWYUWGFYACVMG-HQUJYOKNSA-N
HMDB50499,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,34,60H,4-15,17-18,20-24,30-33,35-59H2,1-3H3/b19-16-,28-25-,29-26-,34-27-/t60-/m0/s1",KYMZBLBKJMZRJX,LNSYPENWSA,N,"TG(20:1(11Z)/18:1(9Z)/22:2(13Z,16Z))",KYMZBLBKJMZRJX-LNSYPENWSA-N
HMDB50500,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,38,41,60H,4-15,17-18,20-24,30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",WPTIBZNSPMSWML,VBCVAJELSA,N,"TG(20:1(11Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",WPTIBZNSPMSWML-VBCVAJELSA-N
HMDB50501,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,38,41,47,50,60H,4-15,17-18,20-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",HCLJUTWISMMYSO,PHBFQLJFSA,N,"TG(20:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HCLJUTWISMMYSO-PHBFQLJFSA-N
HMDB50502,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,30-31,56H,4-7,9-10,12-16,18-19,21-24,29,32-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-/t56-/m1/s1",UFRDNHLATAGGCQ,FHFCNVHSSA,N,"TG(20:1(11Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",UFRDNHLATAGGCQ-FHFCNVHSSA-N
HMDB50503,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,30-31,36,39,56H,4-7,9-10,12-16,18-19,21-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",CRRADDKJGZQCCG,FWGXGOSYSA,N,"TG(20:1(11Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",CRRADDKJGZQCCG-FWGXGOSYSA-N
HMDB50504,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-33,35,58H,4-6,8-9,11-15,17-18,20-24,30-31,34,36-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,35-33-/t58-/m1/s1",HOYCNLNRZFKWDN,PHLVCHRVSA,N,"TG(20:1(11Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",HOYCNLNRZFKWDN-PHLVCHRVSA-N
HMDB50505,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-33,35,41,44,58H,4-6,8-9,11-15,17-18,20-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",HAVLHOHLPYEBFZ,DSXKWYAMSA,N,"TG(20:1(11Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HAVLHOHLPYEBFZ-DSXKWYAMSA-N
HMDB50506,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,38,41,60H,4-6,8-9,11-15,17-18,20-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",XRWSRVTWYXTDPC,ZWMWVCAWSA,N,"TG(20:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XRWSRVTWYXTDPC-ZWMWVCAWSA-N
HMDB50507,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",KPJGNTJVQXQHJJ,DKSTYILTSA,N,"TG(20:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KPJGNTJVQXQHJJ-DKSTYILTSA-N
HMDB50508,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,27-28,31,57H,4-24,26,29-30,32-56H2,1-3H3/b28-25-,31-27-/t57-/m1/s1",FEQGTAIRRDJZLL,LFAHWVCXSA,N,TG(20:1(11Z)/18:1(9Z)/o-18:0),FEQGTAIRRDJZLL-LFAHWVCXSA-N
HMDB50510,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,34,37,43,46,60H,4-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b28-25-,29-26-,30-27-,37-34-,46-43-/t60-/m1/s1",NAZBWUYFIUKAKG,UJCIYMNTSA,N,"TG(20:1(11Z)/20:1(11Z)/20:3(5Z,8Z,11Z))",NAZBWUYFIUKAKG-UJCIYMNTSA-N
HMDB50511,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-30,62H,4-24,31-61H2,1-3H3/b28-25-,29-26-,30-27-/t62-/m0/s1",WIRBROPKSNJWAG,GWFGCMORSA,N,TG(20:1(11Z)/20:1(11Z)/22:1(13Z)),WIRBROPKSNJWAG-GWFGCMORSA-N
HMDB50512,1024.939791713,C67H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-30,64H,4-24,31-63H2,1-3H3/b28-25-,29-26-,30-27-/t64-/m0/s1",YQZCMJDZZJXNKV,MUGJMKDYSA,N,TG(20:1(11Z)/20:1(11Z)/24:1(15Z)),YQZCMJDZZJXNKV-MUGJMKDYSA-N
HMDB50513,938.830241252,C61H110O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32,58H,4-17,19-20,22-24,30-31,33-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-/t58-/m1/s1",OYDPSWDUKLRDNF,PAILEEFFSA,N,"TG(20:1(11Z)/20:1(11Z)/18:2(9Z,12Z))",OYDPSWDUKLRDNF-PAILEEFFSA-N
HMDB50514,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32,38,41,58H,4-17,19-20,22-24,30-31,33-37,39-40,42-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,41-38-/t58-/m1/s1",ZSXHEFTWLAFODV,GINXBHCWSA,N,"TG(20:1(11Z)/20:1(11Z)/18:3(6Z,9Z,12Z))",ZSXHEFTWLAFODV-GINXBHCWSA-N
HMDB50515,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,60H,4-15,17-18,20-24,31-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-/t60-/m1/s1",IXONFDDCPAVLRA,JUCJSMHESA,N,TG(20:1(11Z)/20:1(11Z)/20:2n6),IXONFDDCPAVLRA-JUCJSMHESA-N
HMDB50516,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,37,60H,4-15,17-18,20-24,31-33,35-36,38-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-/t60-/m1/s1",YYDMKYRCWRXENW,RRZSHGKMSA,N,TG(20:1(11Z)/20:1(11Z)/20:3n6),YYDMKYRCWRXENW-RRZSHGKMSA-N
HMDB50518,994.89284152,C65H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,62H,4-15,17-18,20-24,31-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-/t62-/m0/s1",HHGXSNJLBBDKEE,GKRQKSHISA,N,"TG(20:1(11Z)/20:1(11Z)/22:2(13Z,16Z))",HHGXSNJLBBDKEE-GKRQKSHISA-N
HMDB50519,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35,40,43,62H,4-15,17-18,20-24,31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,43-40-/t62-/m0/s1",HYOYZVAAZFUIIB,ZWSCSEFHSA,N,"TG(20:1(11Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",HYOYZVAAZFUIIB-ZWSCSEFHSA-N
HMDB50520,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35,40,43,49,52,62H,4-15,17-18,20-24,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,43-40-,52-49-/t62-/m0/s1",GZOVAFHXLWWQSO,QALKHVAQSA,N,"TG(20:1(11Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GZOVAFHXLWWQSO-QALKHVAQSA-N
HMDB50521,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,58H,4-8,10-11,13-17,19-20,22-24,30-31,33-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-/t58-/m1/s1",SRELEZUUSXLTIU,AXOLLIMGSA,N,"TG(20:1(11Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",SRELEZUUSXLTIU-AXOLLIMGSA-N
HMDB50522,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,38,41,58H,4-8,10-11,13-17,19-20,22-24,30-31,33-37,39-40,42-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,41-38-/t58-/m1/s1",ITXKXLGYFGVJFT,ZLCKFEPQSA,N,"TG(20:1(11Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",ITXKXLGYFGVJFT-ZLCKFEPQSA-N
HMDB50523,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,37,60H,4-6,8-9,11-15,17-18,20-24,31-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-/t60-/m1/s1",OJEKPAAJOOGLSW,UNMYWLFTSA,N,"TG(20:1(11Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",OJEKPAAJOOGLSW-UNMYWLFTSA-N
HMDB50524,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,37,43,46,60H,4-6,8-9,11-15,17-18,20-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,46-43-/t60-/m1/s1",FFLXJKCPLBXWOX,WENSAPRRSA,N,"TG(20:1(11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FFLXJKCPLBXWOX-WENSAPRRSA-N
HMDB50525,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35,40,43,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,43-40-/t62-/m0/s1",AMNNFGBXIAYMGK,OTRIKGBFSA,N,"TG(20:1(11Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AMNNFGBXIAYMGK-OTRIKGBFSA-N
HMDB50526,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,43-40-,52-49-/t62-/m0/s1",OCBKCICVFBXZPA,PQKSRZASSA,N,"TG(20:1(11Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OCBKCICVFBXZPA-PQKSRZASSA-N
HMDB50527,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,59H,4-24,27,30-58H2,1-3H3/b28-25-,29-26-/t59-/m1/s1",QZSMPWVATGOHPH,IRFFKQRJSA,N,TG(20:1(11Z)/20:1(11Z)/o-18:0),QZSMPWVATGOHPH-IRFFKQRJSA-N
HMDB50528,964.845891316,C63H112O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,36,39,45,48,60H,4-24,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b28-25-,29-26-,30-27-,39-36-,48-45-",SPCLMIMPBVSZFZ,YGHLKGMQSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:1(11Z))",SPCLMIMPBVSZFZ-YGHLKGMQSA-N
HMDB50529,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,34,36-37,39,43,45-46,48,60H,4-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",ZZJRLQIUSRLFIT,KYFAPYETSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",ZZJRLQIUSRLFIT-KYFAPYETSA-N
HMDB50530,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-30,38,41,47,50,62H,4-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b28-25-,29-26-,30-27-,41-38-,50-47-/t62-/m0/s1",NTCGGIAYBZMMDF,XTGWZDMBSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:1(13Z))",NTCGGIAYBZMMDF-XTGWZDMBSA-N
HMDB50531,1020.908491584,C67H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-30,40,43,49,52,64H,4-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b28-25-,29-26-,30-27-,43-40-,52-49-/t64-/m0/s1",PFPUWIWZEQRLKG,ZOKKNGALSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/24:1(15Z))",PFPUWIWZEQRLKG-ZOKKNGALSA-N
HMDB50532,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32,34,37,43,46,58H,4-17,19-20,22-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",BYUGSRBETXQYIZ,OIABTCDQSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",BYUGSRBETXQYIZ-OIABTCDQSA-N
HMDB50533,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32,34,37-38,41,43,46,58H,4-17,19-20,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",PDMFSUNHSUXXPY,OEDNJVJISA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",PDMFSUNHSUXXPY-OEDNJVJISA-N
HMDB50534,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,36,39,45,48,60H,4-15,17-18,20-24,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,39-36-,48-45-/t60-/m1/s1",QHLATCHOBPMICE,YATQAVBPSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:2n6)",QHLATCHOBPMICE-YATQAVBPSA-N
HMDB50535,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,36-37,39,45,48,60H,4-15,17-18,20-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",HGEMIPVNLLSWGB,MYFDCNEZSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6)",HGEMIPVNLLSWGB-MYFDCNEZSA-N
HMDB50536,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,36-37,39,43,45-46,48,60H,4-15,17-18,20-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",DMRCFTQNQMIGTD,IVCRIKDSSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",DMRCFTQNQMIGTD-IVCRIKDSSA-N
HMDB50537,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,38,41,47,50,62H,4-15,17-18,20-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,41-38-,50-47-/t62-/m0/s1",QRCLZFNUMDWXCY,CVCACHKFSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",QRCLZFNUMDWXCY-CVCACHKFSA-N
HMDB50538,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35,38,40-41,43,47,50,62H,4-15,17-18,20-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",FBQZWPPKRRZUNZ,XNDUJXRYSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",FBQZWPPKRRZUNZ-XNDUJXRYSA-N
HMDB50539,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-15,17-18,20-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",IUSTXLOVEGKWKS,CKAHFYHSSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IUSTXLOVEGKWKS-CKAHFYHSSA-N
HMDB50540,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,34,37,43,46,58H,4-8,10-11,13-17,19-20,22-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",YRKMNPJZMLZCFD,HKUWKWRRSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",YRKMNPJZMLZCFD-HKUWKWRRSA-N
HMDB50541,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,34,37-38,41,43,46,58H,4-8,10-11,13-17,19-20,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",HMNIIWJBKAWKQS,SPXLYVQCSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",HMNIIWJBKAWKQS-SPXLYVQCSA-N
HMDB50542,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,36-37,39,45,48,60H,4-6,8-9,11-15,17-18,20-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",JRLHDZGAHDVBNN,APRDSBOISA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",JRLHDZGAHDVBNN-APRDSBOISA-N
HMDB50543,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,36-37,39,43,45-46,48,60H,4-6,8-9,11-15,17-18,20-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",HTHXCXIQIAMNEI,LVHJIHQDSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HTHXCXIQIAMNEI-LVHJIHQDSA-N
HMDB50544,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",JLTXTKBQPPUIIC,CUEPRPOVSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JLTXTKBQPPUIIC-CUEPRPOVSA-N
HMDB50545,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",DYYMYSLEANAAEF,RUYSIUOTSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DYYMYSLEANAAEF-RUYSIUOTSA-N
HMDB50546,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,34,37,43,46,59H,4-24,27,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b28-25-,29-26-,37-34-,46-43-/t59-/m1/s1",XGZIYXWMBQUNLC,ZIYYXOBBSA,N,"TG(20:1(11Z)/20:3(5Z,8Z,11Z)/o-18:0)",XGZIYXWMBQUNLC-ZIYYXOBBSA-N
HMDB50547,996.908491572,C65H120O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h25-30,62H,4-24,31-61H2,1-3H3/b28-25-,29-26-,30-27-",VPPRFZTWZWGLNZ,IUPFWZBJSA,N,TG(20:1(11Z)/22:1(13Z)/20:1(11Z)),VPPRFZTWZWGLNZ-IUPFWZBJSA-N
HMDB50548,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h25-30,36,39,45,48,62H,4-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",IZWGDHFGIIZALM,TTWYQTKTSA,N,"TG(20:1(11Z)/22:1(13Z)/20:3(5Z,8Z,11Z))",IZWGDHFGIIZALM-TTWYQTKTSA-N
HMDB50549,1024.939791713,C67H124O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,64H,4-24,31-63H2,1-3H3/b28-25-,29-26-,30-27-/t64-/m0/s1",SKAZSMKRURKNAF,MUGJMKDYSA,N,TG(20:1(11Z)/22:1(13Z)/22:1(13Z)),SKAZSMKRURKNAF-MUGJMKDYSA-N
HMDB50550,1052.971091842,C69H128O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-/t66-/m0/s1",HVZPEYARHUNDIF,WUXMUEHPSA,N,TG(20:1(11Z)/22:1(13Z)/24:1(15Z)),HVZPEYARHUNDIF-WUXMUEHPSA-N
HMDB50551,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34,60H,4-17,19-20,22-24,30-33,35-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",UBHZXNRDMRSIPS,HEARNLHVSA,N,"TG(20:1(11Z)/22:1(13Z)/18:2(9Z,12Z))",UBHZXNRDMRSIPS-HEARNLHVSA-N
HMDB50552,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34,40,43,60H,4-17,19-20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",OZIVOOHFGACURK,ZQCAJQTISA,N,"TG(20:1(11Z)/22:1(13Z)/18:3(6Z,9Z,12Z))",OZIVOOHFGACURK-ZQCAJQTISA-N
HMDB50553,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,62H,4-16,18-19,21-24,31-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-/t62-/m1/s1",VBEJETNWQFMCIP,ZKIJAYIWSA,N,TG(20:1(11Z)/22:1(13Z)/20:2n6),VBEJETNWQFMCIP-ZKIJAYIWSA-N
HMDB50554,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,36,39,62H,4-16,18-19,21-24,31-35,37-38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",RPBHAZQYJLEVCF,RDNLFZEXSA,N,TG(20:1(11Z)/22:1(13Z)/20:3n6),RPBHAZQYJLEVCF-RDNLFZEXSA-N
HMDB50555,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,36,39,45,48,62H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",XYBBAZQTUWSSJV,UZZHSTERSA,N,"TG(20:1(11Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",XYBBAZQTUWSSJV-UZZHSTERSA-N
HMDB50556,1022.924141648,C67H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,64H,4-15,17-18,20-24,31-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-/t64-/m0/s1",TYLUSBNHZPDTOZ,LWEWHQAHSA,N,"TG(20:1(11Z)/22:1(13Z)/22:2(13Z,16Z))",TYLUSBNHZPDTOZ-LWEWHQAHSA-N
HMDB50557,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,42,45,64H,4-15,17-18,20-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,45-42-/t64-/m0/s1",PLTBWWATRWAVAA,JLGGPPHESA,N,"TG(20:1(11Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",PLTBWWATRWAVAA-JLGGPPHESA-N
HMDB50558,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,42,45,51,54,64H,4-15,17-18,20-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",MMMAIGJHRWZHQN,VSQQYSDQSA,N,"TG(20:1(11Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MMMAIGJHRWZHQN-VSQQYSDQSA-N
HMDB50559,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",AXZAPIACNHHVNU,PJTKLRLGSA,N,"TG(20:1(11Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",AXZAPIACNHHVNU-PJTKLRLGSA-N
HMDB50560,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,40,43,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",SPUJFJNWFPTYCI,XRXGBTCISA,N,"TG(20:1(11Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",SPUJFJNWFPTYCI-XRXGBTCISA-N
HMDB50561,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36,39,62H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",RTKWFKHVUDOWQY,LFRLAHMGSA,N,"TG(20:1(11Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",RTKWFKHVUDOWQY-LFRLAHMGSA-N
HMDB50562,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",QTJXQHAKOJPNNR,LRDPHWEJSA,N,"TG(20:1(11Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QTJXQHAKOJPNNR-LRDPHWEJSA-N
HMDB50563,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,42,45,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,45-42-/t64-/m0/s1",HVFXAPIKBUUDQZ,UIFSFABMSA,N,"TG(20:1(11Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HVFXAPIKBUUDQZ-UIFSFABMSA-N
HMDB50564,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,42,45,51,54,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",RNVUSYHCVZLLSZ,OXHIXDGVSA,N,"TG(20:1(11Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RNVUSYHCVZLLSZ-OXHIXDGVSA-N
HMDB50565,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,61H,4-24,27,30-60H2,1-3H3/b28-25-,29-26-/t61-/m1/s1",AUNUZTMVWMIQKY,YIBOVCKLSA,N,TG(20:1(11Z)/22:1(13Z)/o-18:0),AUNUZTMVWMIQKY-YIBOVCKLSA-N
HMDB50566,1024.9397917,C67H124O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25-30,64H,4-24,31-63H2,1-3H3/b28-25-,29-26-,30-27-",ZOMWMGBFIWIBFR,IUPFWZBJSA,N,TG(20:1(11Z)/24:1(15Z)/20:1(11Z)),ZOMWMGBFIWIBFR-IUPFWZBJSA-N
HMDB50567,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25-30,38,41,47,50,64H,4-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",DOYXLPIUKSFAAH,PORSGZNQSA,N,"TG(20:1(11Z)/24:1(15Z)/20:3(5Z,8Z,11Z))",DOYXLPIUKSFAAH-PORSGZNQSA-N
HMDB50568,1052.971091842,C69H128O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-/t66-/m0/s1",JLOWGWHXTBITPV,WUXMUEHPSA,N,TG(20:1(11Z)/24:1(15Z)/22:1(13Z)),JLOWGWHXTBITPV-WUXMUEHPSA-N
HMDB50569,1081.00239197,C71H132O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,68H,4-24,31-67H2,1-3H3/b28-25-,29-26-,30-27-/t68-/m0/s1",MJWRYUKMYYCLAX,OZUXDMSKSA,N,TG(20:1(11Z)/24:1(15Z)/24:1(15Z)),MJWRYUKMYYCLAX-OZUXDMSKSA-N
HMDB50570,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,62H,4-17,19-20,22-24,30-35,37-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",KNQVXJKBVFCKBB,WQNRFPPVSA,N,"TG(20:1(11Z)/24:1(15Z)/18:2(9Z,12Z))",KNQVXJKBVFCKBB-WQNRFPPVSA-N
HMDB50571,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,42,45,62H,4-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",FJIFJWXIQOUYMC,PCQNZSPSSA,N,"TG(20:1(11Z)/24:1(15Z)/18:3(6Z,9Z,12Z))",FJIFJWXIQOUYMC-PCQNZSPSSA-N
HMDB50572,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,64H,4-16,18-19,21-24,31-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-/t64-/m1/s1",GVDXPZDXLNTAKW,QJNZKAFXSA,N,TG(20:1(11Z)/24:1(15Z)/20:2n6),GVDXPZDXLNTAKW-QJNZKAFXSA-N
HMDB50573,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,38,41,64H,4-16,18-19,21-24,31-37,39-40,42-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",CCYPENFJFHEKNI,SETOIFJYSA,N,TG(20:1(11Z)/24:1(15Z)/20:3n6),CCYPENFJFHEKNI-SETOIFJYSA-N
HMDB50574,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,38,41,47,50,64H,4-16,18-19,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",ZIESEMPQLRUDEU,BMSZVULOSA,N,"TG(20:1(11Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",ZIESEMPQLRUDEU-BMSZVULOSA-N
HMDB50575,1050.955441777,C69H126O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,66H,4-16,18-19,21-24,31-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-/t66-/m0/s1",AIBYXIKDLFIRMC,ZPAIEORMSA,N,"TG(20:1(11Z)/24:1(15Z)/22:2(13Z,16Z))",AIBYXIKDLFIRMC-ZPAIEORMSA-N
HMDB50576,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,44,47,66H,4-16,18-19,21-24,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,47-44-/t66-/m0/s1",ASGBWWASFBMDFW,LZONPXNQSA,N,"TG(20:1(11Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",ASGBWWASFBMDFW-LZONPXNQSA-N
HMDB50577,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,44,47,53,56,66H,4-16,18-19,21-24,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,47-44-,56-53-/t66-/m0/s1",LPINPYQBVPIWLL,QYGFDCRYSA,N,"TG(20:1(11Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LPINPYQBVPIWLL-QYGFDCRYSA-N
HMDB50578,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",BCHDJXBMFQYVMK,GWSCBAOTSA,N,"TG(20:1(11Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",BCHDJXBMFQYVMK-GWSCBAOTSA-N
HMDB50579,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",VNEYFIOINOJOEA,ZMVCFNQWSA,N,"TG(20:1(11Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",VNEYFIOINOJOEA-ZMVCFNQWSA-N
HMDB50580,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,38,41,64H,4-7,9-10,12-16,18-19,21-24,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",FVDRIOFOTHEBDR,VYYMHTCZSA,N,"TG(20:1(11Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",FVDRIOFOTHEBDR-VYYMHTCZSA-N
HMDB50581,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",UPYHDZNTKDLBSI,WYJRPZJQSA,N,"TG(20:1(11Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",UPYHDZNTKDLBSI-WYJRPZJQSA-N
HMDB50582,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,44,47,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,47-44-/t66-/m0/s1",CJLZOEAUXCHFPV,ISDPTLCESA,N,"TG(20:1(11Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CJLZOEAUXCHFPV-ISDPTLCESA-N
HMDB50583,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,44,47,53,56,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,47-44-,56-53-/t66-/m0/s1",GKXJUOQPJXOBIJ,GRVJKGQDSA,N,"TG(20:1(11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GKXJUOQPJXOBIJ-GRVJKGQDSA-N
HMDB50584,984.944877093,C65H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,63H,4-24,27,30-62H2,1-3H3/b28-25-,29-26-/t63-/m1/s1",FGTRVJWHTRQOLO,WTIKSZMJSA,N,TG(20:1(11Z)/24:1(15Z)/o-18:0),FGTRVJWHTRQOLO-WTIKSZMJSA-N
HMDB50585,938.830241262,C61H110O6,[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32,58H,4-17,19-20,22-24,30-31,33-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-",RYKBFFKZQHHFOA,GIKFAZOESA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/20:1(11Z))",RYKBFFKZQHHFOA-GIKFAZOESA-N
HMDB50586,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32-33,35,41,44,58H,4-17,19-20,22-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",ZWDALEPZJDLUOR,FGLXSMMQSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",ZWDALEPZJDLUOR-FGLXSMMQSA-N
HMDB50587,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34,60H,4-17,19-20,22-24,30-33,35-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-/t60-/m0/s1",MQKXAZDGXABSQN,MAORRSLFSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/22:1(13Z))",MQKXAZDGXABSQN-MAORRSLFSA-N
HMDB50588,994.89284152,C65H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,62H,4-17,19-20,22-24,30-35,37-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-/t62-/m0/s1",FDWDJKPVIMGLTI,UBPISWQFSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/24:1(15Z))",FDWDJKPVIMGLTI-UBPISWQFSA-N
HMDB50589,908.78329106,C59H104O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-31,56H,4-16,19,22-24,29,32-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1",UHEJWASONFIROS,YPSHDQQVSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",UHEJWASONFIROS-YPSHDQQVSA-N
HMDB50590,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-31,36,39,56H,4-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",KCNPGVUPWCTTNI,VLIIYHGJSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",KCNPGVUPWCTTNI-VLIIYHGJSA-N
HMDB50591,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,58H,4-15,17,20,22-24,30-31,33-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-/t58-/m1/s1",AFXINGJKTKUGDX,OLJLVZCGSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/20:2n6)",AFXINGJKTKUGDX-OLJLVZCGSA-N
HMDB50592,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-33,35,58H,4-15,17,20,22-24,30-31,34,36-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,35-33-/t58-/m1/s1",PWQYRGTUUNGIKE,RSMJQYMHSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/20:3n6)",PWQYRGTUUNGIKE-RSMJQYMHSA-N
HMDB50593,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-33,35,41,44,58H,4-15,17,20,22-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",HGUATJIHNSXVOR,HOKCPBDGSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",HGUATJIHNSXVOR-HOKCPBDGSA-N
HMDB50594,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34,60H,4-15,17,20,22-24,30-33,35-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-/t60-/m0/s1",QRQHIENJPWVWCM,DIROXVHGSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/22:2(13Z,16Z))",QRQHIENJPWVWCM-DIROXVHGSA-N
HMDB50595,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,38,41,60H,4-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",FFMCBPYVIMUDJD,BQJGYZCFSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",FFMCBPYVIMUDJD-BQJGYZCFSA-N
HMDB50596,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",KNVXBCMILXVLTA,SVPKEUKBSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KNVXBCMILXVLTA-SVPKEUKBSA-N
HMDB50597,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,30-31,56H,4-7,9-10,12-16,19,22-24,29,32-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1",NETLHCZPXGPCDO,BMWKCPJHSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",NETLHCZPXGPCDO-BMWKCPJHSA-N
HMDB50598,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,30-31,36,39,56H,4-7,9-10,12-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",FCQWNMRIDKLYFV,BYCHQMBMSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",FCQWNMRIDKLYFV-BYCHQMBMSA-N
HMDB50599,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-33,35,58H,4-6,8-9,11-15,17,20,22-24,30-31,34,36-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-/t58-/m1/s1",GIVHDSXFMCCEOH,PVAJYBSQSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",GIVHDSXFMCCEOH-PVAJYBSQSA-N
HMDB50600,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-33,35,41,44,58H,4-6,8-9,11-15,17,20,22-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",HPBCKYPBJUWPFT,MBJRTASBSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HPBCKYPBJUWPFT-MBJRTASBSA-N
HMDB50601,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,38,41,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",BMSWKYPCZHQOJH,RBJHLLPSSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BMSWKYPCZHQOJH-RBJHLLPSSA-N
HMDB50602,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",HATPVFYQRUFDTP,BMDPEGLOSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HATPVFYQRUFDTP-BMDPEGLOSA-N
HMDB50603,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31,57H,4-17,19-20,22-24,26,29-30,32-56H2,1-3H3/b21-18-,28-25-,31-27-/t57-/m1/s1",JCDXUGWUZXHDAN,JYDIDCMOSA,N,"TG(20:1(11Z)/18:2(9Z,12Z)/o-18:0)",JCDXUGWUZXHDAN-JYDIDCMOSA-N
HMDB50604,936.814591188,C61H108O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32,40,43,58H,4-17,19-20,22-24,30-31,33-39,41-42,44-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,43-40-",BUZQNKSSBOCSEX,GIBFGVOMSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:1(11Z))",BUZQNKSSBOCSEX-GIBFGVOMSA-N
HMDB50605,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32-33,35,40-41,43-44,58H,4-17,19-20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",IJBBHDMFHFOVSO,MEVINBJRSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",IJBBHDMFHFOVSO-MEVINBJRSA-N
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HMDB50607,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,44,47,62H,4-17,19-20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,47-44-/t62-/m0/s1",LVBWHBAHEKBLRX,FZCKPIPNSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/24:1(15Z))",LVBWHBAHEKBLRX-FZCKPIPNSA-N
HMDB50608,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-31,38,41,56H,4-16,19,22-24,29,32-37,39-40,42-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,41-38-/t56-/m1/s1",PYHHMOTVUBGCGU,KDBYXRCCSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",PYHHMOTVUBGCGU-KDBYXRCCSA-N
HMDB50609,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-31,36,38-39,41,56H,4-16,19,22-24,29,32-35,37,40,42-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,41-38-/t56-/m1/s1",CPQGMZCWGDCTKB,ACXLMBEFSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",CPQGMZCWGDCTKB-ACXLMBEFSA-N
HMDB50610,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,40,43,58H,4-15,17,20,22-24,30-31,33-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,43-40-/t58-/m1/s1",XUYFLRMUMKGXCL,RGDDBACRSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:2n6)",XUYFLRMUMKGXCL-RGDDBACRSA-N
HMDB50611,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-33,35,40,43,58H,4-15,17,20,22-24,30-31,34,36-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-/t58-/m1/s1",KMWJDTAKQQJFIW,LBTJUNOISA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:3n6)",KMWJDTAKQQJFIW-LBTJUNOISA-N
HMDB50612,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-33,35,40-41,43-44,58H,4-15,17,20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",BWRXQRIAOYJMRE,YYCDPDEHSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",BWRXQRIAOYJMRE-YYCDPDEHSA-N
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HMDB50614,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,38,41-42,45,60H,4-15,17,20,22-24,30,32,35-37,39-40,43-44,46-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-/t60-/m0/s1",RBASRMKCLNNORI,OCGPQTQRSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",RBASRMKCLNNORI-OCGPQTQRSA-N
HMDB50615,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,38,41-42,45,47,50,60H,4-15,17,20,22-24,30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-,50-47-/t60-/m0/s1",CQPAGPNRJFQHMN,BUECDCDPSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CQPAGPNRJFQHMN-BUECDCDPSA-N
HMDB50616,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,30-31,38,41,56H,4-7,9-10,12-16,19,22-24,29,32-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,41-38-/t56-/m1/s1",FMUVJGIGBNGCAL,SLJNMKNKSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",FMUVJGIGBNGCAL-SLJNMKNKSA-N
HMDB50617,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,30-31,36,38-39,41,56H,4-7,9-10,12-16,19,22-24,29,32-35,37,40,42-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,41-38-/t56-/m1/s1",GYVHRLLGQCPFTB,ASJRRKRNSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",GYVHRLLGQCPFTB-ASJRRKRNSA-N
HMDB50618,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-33,35,40,43,58H,4-6,8-9,11-15,17,20,22-24,30-31,34,36-39,41-42,44-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-/t58-/m1/s1",SZJRMIRFHMASCD,KERMWKSQSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",SZJRMIRFHMASCD-KERMWKSQSA-N
HMDB50619,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-33,35,40-41,43-44,58H,4-6,8-9,11-15,17,20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",KFPIHGRUUNEYDF,GBIOKFGMSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KFPIHGRUUNEYDF-GBIOKFGMSA-N
HMDB50620,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,38,41-42,45,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-37,39-40,43-44,46-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-/t60-/m0/s1",AILHDVOWAUJGKA,NBWVZTQDSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AILHDVOWAUJGKA-NBWVZTQDSA-N
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HMDB50622,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31,38,41,57H,4-17,19-20,22-24,26,29-30,32-37,39-40,42-56H2,1-3H3/b21-18-,28-25-,31-27-,41-38-/t57-/m1/s1",RMBDRGFSIKTPPG,IXVQLJOLSA,N,"TG(20:1(11Z)/18:3(6Z,9Z,12Z)/o-18:0)",RMBDRGFSIKTPPG-IXVQLJOLSA-N
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HMDB50629,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,60H,4-15,17,20,22-24,31-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-/t60-/m1/s1",CTTAXJGEXQSTCM,MHDUNFFCSA,N,TG(20:1(11Z)/20:2n6/20:2n6),CTTAXJGEXQSTCM-MHDUNFFCSA-N
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HMDB50674,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32,34,37-38,41,43,46,58H,4-8,10-11,13-16,19,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",RIPLYWJWWJCYJH,FGZQXGEYSA,N,"TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",RIPLYWJWWJCYJH-FGZQXGEYSA-N
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HMDB50676,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,60H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",HQDWFERRFHDEEB,DVKFJIAFSA,N,"TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HQDWFERRFHDEEB-DVKFJIAFSA-N
HMDB50677,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",QVEFXXOTFDJCOX,HDBXDMOZSA,N,"TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QVEFXXOTFDJCOX-HDBXDMOZSA-N
HMDB50678,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",AZRGVQKDBWALBZ,DNEIXPHUSA,N,"TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AZRGVQKDBWALBZ-DNEIXPHUSA-N
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HMDB50680,994.892841508,C65H118O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,62H,4-15,17-18,20-24,31-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-",PQFVSPPDKCCHNA,KTKRTRQNSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/20:1(11Z))",PQFVSPPDKCCHNA-KTKRTRQNSA-N
HMDB50681,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,36,39,45,48,62H,4-15,17-18,20-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",FFFFDKPZBYCVES,NZPZRKNLSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",FFFFDKPZBYCVES-NZPZRKNLSA-N
HMDB50682,1022.924141648,C67H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,64H,4-16,18-19,21-24,31-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-/t64-/m0/s1",GBJPSVYNBGFLES,FCBJCCINSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/22:1(13Z))",GBJPSVYNBGFLES-FCBJCCINSA-N
HMDB50683,1050.955441777,C69H126O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,66H,4-16,18-19,21-24,31-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-/t66-/m0/s1",HGPGEVYWXNAWBH,ZPAIEORMSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/24:1(15Z))",HGPGEVYWXNAWBH-ZPAIEORMSA-N
HMDB50684,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34,60H,4-15,17,20,22-24,30-33,35-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",QYFDEAFYRXDHQK,RVADQAIISA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/18:2(9Z,12Z))",QYFDEAFYRXDHQK-RVADQAIISA-N
HMDB50685,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34,40,43,60H,4-15,17,20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",IKPYKXHCUXCJHN,YEXYKODASA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",IKPYKXHCUXCJHN-YEXYKODASA-N
HMDB50686,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,62H,4-15,18,21-24,31-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-/t62-/m1/s1",GQBOGMPGEGPYRZ,ZEWOLHMRSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/20:2n6)",GQBOGMPGEGPYRZ-ZEWOLHMRSA-N
HMDB50687,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,36,39,62H,4-15,18,21-24,31-35,37-38,40-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",XAYDKOVDOAGAKH,QBTPWWHSSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/20:3n6)",XAYDKOVDOAGAKH-QBTPWWHSSA-N
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HMDB50690,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,42,45,64H,4-15,18,21-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,45-42-/t64-/m0/s1",PYXBVGYXNRXQMR,KGVLXBRSSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",PYXBVGYXNRXQMR-KGVLXBRSSA-N
HMDB50691,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,42,45,51,54,64H,4-15,18,21-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",NMDFVOUGCSUODD,ZCKHDIOSSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",NMDFVOUGCSUODD-ZCKHDIOSSA-N
HMDB50692,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",HHZNVRUBXAYDCQ,USEOZZBRSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",HHZNVRUBXAYDCQ-USEOZZBRSA-N
HMDB50693,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,40,43,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",OUEPJXXBJYGZDX,OSIFNLFLSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",OUEPJXXBJYGZDX-OSIFNLFLSA-N
HMDB50694,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,36,39,62H,4-7,9-10,12-15,18,21-24,31-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",OFZOYHNOLPJFPH,AVLGGDDWSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",OFZOYHNOLPJFPH-AVLGGDDWSA-N
HMDB50695,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,36,39,45,48,62H,4-7,9-10,12-15,18,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",ZUNMQIMQSODJSM,CXPGZPPRSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZUNMQIMQSODJSM-CXPGZPPRSA-N
HMDB50696,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,42,45,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,45-42-/t64-/m0/s1",WJVJUWGGWQNGIZ,KPVXNEEBSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WJVJUWGGWQNGIZ-KPVXNEEBSA-N
HMDB50697,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,42,45,51,54,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",VGRAMZVPXCTBPW,UOOORQEMSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VGRAMZVPXCTBPW-UOOORQEMSA-N
HMDB50698,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,61H,4-15,17-18,20-24,27,30-60H2,1-3H3/b19-16-,28-25-,29-26-/t61-/m1/s1",JOGFTXNSXUJXOG,LKSFEHELSA,N,"TG(20:1(11Z)/22:2(13Z,16Z)/o-18:0)",JOGFTXNSXUJXOG-LKSFEHELSA-N
HMDB50699,990.86154138,C65H114O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,32,35,41,44,62H,4-15,17-18,20-24,31,33-34,36-40,42-43,45-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,44-41-",MQTUOYIUWGDMFL,PTXOIAHUSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",MQTUOYIUWGDMFL-PTXOIAHUSA-N
HMDB50700,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,32,35-36,39,41,44-45,48,62H,4-15,17-18,20-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",HOZDRTMAFCHIOU,XVWLSIMISA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",HOZDRTMAFCHIOU-XVWLSIMISA-N
HMDB50701,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,34,37,43,46,64H,4-16,18-19,21-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,37-34-,46-43-/t64-/m0/s1",KRJBVYKOUBRMDD,LMHXJKGRSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",KRJBVYKOUBRMDD-LMHXJKGRSA-N
HMDB50702,1046.924141648,C69H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,39,45,48,66H,4-16,18-19,21-24,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-35-,48-45-/t66-/m0/s1",MHFZIDCKIQAVKW,XNKDWLEXSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",MHFZIDCKIQAVKW-XNKDWLEXSA-N
HMDB50703,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,39,42,60H,4-15,17,20,22-24,30,32,35-38,40-41,43-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-/t60-/m1/s1",SMSBEIPEMYBABZ,GKTCLDORSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",SMSBEIPEMYBABZ-GKTCLDORSA-N
HMDB50704,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,39-40,42-43,60H,4-15,17,20,22-24,30,32,35-38,41,44-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-/t60-/m1/s1",ADKLGQHKFMGSDC,OYPZDABOSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",ADKLGQHKFMGSDC-OYPZDABOSA-N
HMDB50705,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35,41,44,62H,4-15,18,21-24,31,33-34,36-40,42-43,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,44-41-/t62-/m1/s1",PKPDWSUPTXXKOC,SQUXVHIUSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)",PKPDWSUPTXXKOC-SQUXVHIUSA-N
HMDB50706,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-36,39,41,44,62H,4-15,18,21-24,31,33-34,37-38,40,42-43,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-/t62-/m1/s1",QHMISZMBORQTKO,OETPFBQZSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)",QHMISZMBORQTKO-OETPFBQZSA-N
HMDB50707,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-36,39,41,44-45,48,62H,4-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",OUPZZBGXDXAPRG,RWNPAZOJSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",OUPZZBGXDXAPRG-RWNPAZOJSA-N
HMDB50708,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,43,46,64H,4-15,18,21-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-/t64-/m0/s1",QQXLCLVXQTVQDV,JMTLTRCNSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",QQXLCLVXQTVQDV-JMTLTRCNSA-N
HMDB50709,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,42-43,45-46,64H,4-15,18,21-24,31-32,35,38-41,44,47-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-/t64-/m0/s1",CDVPZMYKZUWDME,WCRDRXQLSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",CDVPZMYKZUWDME-WCRDRXQLSA-N
HMDB50710,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,42-43,45-46,51,54,64H,4-15,18,21-24,31-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-/t64-/m0/s1",XYNNAJOZKNVMLS,LGMORUJKSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XYNNAJOZKNVMLS-LGMORUJKSA-N
HMDB50711,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,39,42,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-38,40-41,43-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-/t60-/m1/s1",JZQYMINNIQSBMO,NAZBZAQCSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",JZQYMINNIQSBMO-NAZBZAQCSA-N
HMDB50712,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,39-40,42-43,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-38,41,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-/t60-/m1/s1",XFAWUHKFJSCOCU,DDBPSGOTSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",XFAWUHKFJSCOCU-DDBPSGOTSA-N
HMDB50713,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-36,39,41,44,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,40,42-43,45-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-/t62-/m1/s1",XWHQRZKTWIELEN,JZSGCHQYSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",XWHQRZKTWIELEN-JZSGCHQYSA-N
HMDB50714,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-36,39,41,44-45,48,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",RCRAVPFAVJICJZ,BXHFJDFTSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RCRAVPFAVJICJZ-BXHFJDFTSA-N
HMDB50715,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,42-43,45-46,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-41,44,47-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-/t64-/m0/s1",IYJAQIJKNUPSDX,RHKWOOQASA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IYJAQIJKNUPSDX-RHKWOOQASA-N
HMDB50716,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,42-43,45-46,51,54,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-/t64-/m0/s1",NIVWIKQOURFBSS,YZDUQMNFSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NIVWIKQOURFBSS-YZDUQMNFSA-N
HMDB50717,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,61H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-/t61-/m1/s1",BNRUJXMUWHJABI,VNINXPIWSA,N,"TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)",BNRUJXMUWHJABI-VNINXPIWSA-N
HMDB50718,988.845891316,C65H112O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,32,35,41,44,50,53,62H,4-15,17-18,20-24,31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,44-41-,53-50-",AXSRYJGQRFJPJY,UCYKXMCDSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))",AXSRYJGQRFJPJY-UCYKXMCDSA-N
HMDB50719,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-15,17-18,20-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",QTMZMFIJTRNZTN,NDUBFCRCSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",QTMZMFIJTRNZTN-NDUBFCRCSA-N
HMDB50720,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,34,37,43,46,52,55,64H,4-16,18-19,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t64-/m0/s1",GJGMXLAIMFVFCZ,ZEJGDUPKSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",GJGMXLAIMFVFCZ-ZEJGDUPKSA-N
HMDB50721,1044.908491584,C69H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,39,45,48,54,57,66H,4-16,18-19,21-24,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-35-,48-45-,57-54-/t66-/m0/s1",NUEFDQLBJCNIIE,HOIYSYCYSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",NUEFDQLBJCNIIE-HOIYSYCYSA-N
HMDB50722,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,39,42,48,51,60H,4-15,17,20,22-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-/t60-/m1/s1",GIYUPPWUIAUMIZ,IVYLUZEESA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",GIYUPPWUIAUMIZ-IVYLUZEESA-N
HMDB50723,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,39-40,42-43,48,51,60H,4-15,17,20,22-24,30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-,51-48-/t60-/m1/s1",IRUNKUKWFHXBGR,FVIDQVPASA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",IRUNKUKWFHXBGR-FVIDQVPASA-N
HMDB50724,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35,41,44,50,53,62H,4-15,18,21-24,31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,44-41-,53-50-/t62-/m1/s1",XINNZYRCDZTQFS,ZESIKOMRSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",XINNZYRCDZTQFS-ZESIKOMRSA-N
HMDB50725,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-36,39,41,44,50,53,62H,4-15,18,21-24,31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,53-50-/t62-/m1/s1",VHAFEGGJZQGXPQ,UDUCXJARSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",VHAFEGGJZQGXPQ-UDUCXJARSA-N
HMDB50726,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",FJFMHOUESPGMEX,VUKBASQVSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",FJFMHOUESPGMEX-VUKBASQVSA-N
HMDB50727,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,43,46,52,55,64H,4-15,18,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t64-/m0/s1",RMJJNXBDOAGNBO,AIIUVTCFSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",RMJJNXBDOAGNBO-AIIUVTCFSA-N
HMDB50728,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,42-43,45-46,52,55,64H,4-15,18,21-24,31-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,55-52-/t64-/m0/s1",SGHRXOZLQAXPHA,KOIMOXDDSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",SGHRXOZLQAXPHA-KOIMOXDDSA-N
HMDB50729,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-15,18,21-24,31-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-/t64-/m0/s1",VJCPNJFXYWMJPX,YPPZXATDSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VJCPNJFXYWMJPX-YPPZXATDSA-N
HMDB50730,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,39,42,48,51,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-/t60-/m1/s1",QMLRKHJLBXYXOH,WPEGUECLSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",QMLRKHJLBXYXOH-WPEGUECLSA-N
HMDB50731,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,39-40,42-43,48,51,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-,51-48-/t60-/m1/s1",OQSNLZOBBCMKHQ,VBBNLQCOSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",OQSNLZOBBCMKHQ-VBBNLQCOSA-N
HMDB50732,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-36,39,41,44,50,53,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,53-50-/t62-/m1/s1",NBEYYRJBQJSSHW,RMUQWRLOSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",NBEYYRJBQJSSHW-RMUQWRLOSA-N
HMDB50733,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",NHGYEISCODGQRT,XZHCGWFCSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NHGYEISCODGQRT-XZHCGWFCSA-N
HMDB50734,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,42-43,45-46,52,55,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,55-52-/t64-/m0/s1",ZGWUDYZHKYZAHP,OIVPMRGNSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZGWUDYZHKYZAHP-OIVPMRGNSA-N
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HMDB50736,948.850976706,C63H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,48,51,61H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-,51-48-/t61-/m1/s1",CJXBOQIATYJBPZ,OJHQASDZSA,N,"TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",CJXBOQIATYJBPZ-OJHQASDZSA-N
HMDB50737,936.814591188,C61H108O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,58H,4-8,10-11,13-17,19-20,22-24,30-31,33-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-",MLKLDRKWOYWQST,FTTQZXIGSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:1(11Z))",MLKLDRKWOYWQST-FTTQZXIGSA-N
HMDB50738,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-33,35,41,44,58H,4-8,10-11,13-17,19-20,22-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",YQVMKVXCOZKBIG,ABHMOLERSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",YQVMKVXCOZKBIG-ABHMOLERSA-N
HMDB50739,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-/t60-/m0/s1",CGVICJWXMHXXSP,NCFNCNOKSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:1(13Z))",CGVICJWXMHXXSP-NCFNCNOKSA-N
HMDB50740,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-/t62-/m0/s1",WRNXXSHZPLSCHJ,FZMSRYCHSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/24:1(15Z))",WRNXXSHZPLSCHJ-FZMSRYCHSA-N
HMDB50741,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-31,56H,4-8,10-11,13-16,19,22-24,29,32-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1",OPAZFAIACILRAX,LYHHFUMBSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",OPAZFAIACILRAX-LYHHFUMBSA-N
HMDB50742,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-31,36,39,56H,4-8,10-11,13-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",SBXFNBHIXYDMLH,NHMLHRNXSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",SBXFNBHIXYDMLH-NHMLHRNXSA-N
HMDB50743,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,58H,4-8,10-11,13-15,17,20,22-24,30-31,33-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-/t58-/m1/s1",NCKDZCQSMYNTDC,QFTMBHFPSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:2n6)",NCKDZCQSMYNTDC-QFTMBHFPSA-N
HMDB50744,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,35,58H,4-8,10-11,13-15,17,20,22-24,30-31,34,36-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-/t58-/m1/s1",KVJLQHUCVJSUDQ,DIHMNNDQSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:3n6)",KVJLQHUCVJSUDQ-DIHMNNDQSA-N
HMDB50745,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,35,41,44,58H,4-8,10-11,13-15,17,20,22-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",WGWJOHAQSDUWJQ,BZHBCZHSSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",WGWJOHAQSDUWJQ-BZHBCZHSSA-N
HMDB50746,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-/t60-/m0/s1",HESVTHZAJFHPDB,BVVIJBOOSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",HESVTHZAJFHPDB-BVVIJBOOSA-N
HMDB50747,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,41,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",SNJFTPQXHGPDEX,GTJYOHGDSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",SNJFTPQXHGPDEX-GTJYOHGDSA-N
HMDB50748,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",GTMNASXROGIQBF,FPNCHREUSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GTMNASXROGIQBF-FPNCHREUSA-N
HMDB50749,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-31,56H,4-7,10,13-16,19,22-24,29,32-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1",WHYCCMZIIOIRAJ,MSKFSXTDSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",WHYCCMZIIOIRAJ-MSKFSXTDSA-N
HMDB50750,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-31,36,39,56H,4-7,10,13-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",PZKDPWXORMCMPH,CNHSECOKSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",PZKDPWXORMCMPH-CNHSECOKSA-N
HMDB50751,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,35,58H,4-6,8,11,13-15,17,20,22-24,30-31,34,36-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-/t58-/m1/s1",XCQJZUFTCWKCFL,ZAKYMLOASA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",XCQJZUFTCWKCFL-ZAKYMLOASA-N
HMDB50752,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,35,41,44,58H,4-6,8,11,13-15,17,20,22-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",BREKQFNYZLLLIN,VVWKFWECSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BREKQFNYZLLLIN-VVWKFWECSA-N
HMDB50753,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",BBYYUOFBHJZJDM,RHSNWCIXSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BBYYUOFBHJZJDM-RHSNWCIXSA-N
HMDB50754,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",PRTWBFFOFJFSGB,XHQZZLEISA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PRTWBFFOFJFSGB-XHQZZLEISA-N
HMDB50755,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-/t57-/m1/s1",LEGXBTWQXOFYLN,ZGCLCFIDSA,N,"TG(20:1(11Z)/18:3(9Z,12Z,15Z)/o-18:0)",LEGXBTWQXOFYLN-ZGCLCFIDSA-N
HMDB50756,934.798941124,C61H106O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,40,43,58H,4-8,10-11,13-17,19-20,22-24,30-31,33-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,43-40-",RFXVCCCLNBMOFF,AWVJYTBESA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))",RFXVCCCLNBMOFF-AWVJYTBESA-N
HMDB50757,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-33,35,40-41,43-44,58H,4-8,10-11,13-17,19-20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",MLKBOVPIMPHLCG,HLRAWGSVSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",MLKBOVPIMPHLCG-HLRAWGSVSA-N
HMDB50758,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,42,45,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,45-42-/t60-/m0/s1",CHPUIFFVSPQGIH,KPLVDUFHSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",CHPUIFFVSPQGIH-KPLVDUFHSA-N
HMDB50759,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,44,47,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,47-44-/t62-/m0/s1",DHZJWXARIMSDSD,JUESSLENSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",DHZJWXARIMSDSD-JUESSLENSA-N
HMDB50760,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-31,38,41,56H,4-8,10-11,13-16,19,22-24,29,32-37,39-40,42-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,41-38-/t56-/m1/s1",PEQSDMOBUQQVGE,OKTNLISYSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",PEQSDMOBUQQVGE-OKTNLISYSA-N
HMDB50761,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-31,36,38-39,41,56H,4-8,10-11,13-16,19,22-24,29,32-35,37,40,42-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,41-38-/t56-/m1/s1",VFRXFMSDFYFBBF,ZUSFRVFSSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",VFRXFMSDFYFBBF-ZUSFRVFSSA-N
HMDB50762,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,40,43,58H,4-8,10-11,13-15,17,20,22-24,30-31,33-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,43-40-/t58-/m1/s1",DUODAIMNTAVROL,BOOAMOPHSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)",DUODAIMNTAVROL-BOOAMOPHSA-N
HMDB50763,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,35,40,43,58H,4-8,10-11,13-15,17,20,22-24,30-31,34,36-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-/t58-/m1/s1",YMRDLDCOWSBUKR,HZYDAEFZSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)",YMRDLDCOWSBUKR-HZYDAEFZSA-N
HMDB50764,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,35,40-41,43-44,58H,4-8,10-11,13-15,17,20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",HGNYPFIRGVIAFE,WMTIDQJHSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",HGNYPFIRGVIAFE-WMTIDQJHSA-N
HMDB50765,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,42,45,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-41,43-44,46-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,45-42-/t60-/m0/s1",MQMJKZRSUJHOFT,IERKYSCGSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",MQMJKZRSUJHOFT-IERKYSCGSA-N
HMDB50766,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,41-42,45,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39-40,43-44,46-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-/t60-/m0/s1",WTGRDQWTZSUSQB,VCYGCSIGSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",WTGRDQWTZSUSQB-VCYGCSIGSA-N
HMDB50767,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,41-42,45,47,50,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-,50-47-/t60-/m0/s1",GZYXMJLTMGSMEX,QDYCXTLUSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GZYXMJLTMGSMEX-QDYCXTLUSA-N
HMDB50768,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-31,38,41,56H,4-7,10,13-16,19,22-24,29,32-37,39-40,42-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,41-38-/t56-/m1/s1",OVASIOQRBXGUEA,ARFCYICZSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",OVASIOQRBXGUEA-ARFCYICZSA-N
HMDB50769,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-31,36,38-39,41,56H,4-7,10,13-16,19,22-24,29,32-35,37,40,42-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,41-38-/t56-/m1/s1",CIHIPEMTHZCHCJ,CBIMVLLVSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",CIHIPEMTHZCHCJ-CBIMVLLVSA-N
HMDB50770,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,35,40,43,58H,4-6,8,11,13-15,17,20,22-24,30-31,34,36-39,41-42,44-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-/t58-/m1/s1",XETVXKNURXFGAA,UZXAKDKNSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",XETVXKNURXFGAA-UZXAKDKNSA-N
HMDB50771,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,35,40-41,43-44,58H,4-6,8,11,13-15,17,20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",FCOVGTDFHGSJFZ,SKIVAXIESA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FCOVGTDFHGSJFZ-SKIVAXIESA-N
HMDB50772,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41-42,45,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,43-44,46-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-/t60-/m0/s1",JKFVBYVUASWLNU,BHEDPJMFSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JKFVBYVUASWLNU-BHEDPJMFSA-N
HMDB50773,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41-42,45,47,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-,50-47-/t60-/m0/s1",UCHCSQUXSXHUED,UVPLAZAJSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UCHCSQUXSXHUED-UVPLAZAJSA-N
HMDB50774,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31,38,41,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-37,39-40,42-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,41-38-/t57-/m1/s1",QSVYMBGOTBITRP,ADABZZIQSA,N,"TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)",QSVYMBGOTBITRP-ADABZZIQSA-N
HMDB50775,962.830241252,C63H110O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,60H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-",PRQIXVRXFROCMF,OFGRFLLGSA,N,"TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",PRQIXVRXFROCMF-OFGRFLLGSA-N
HMDB50776,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,34,36-37,39,43,46,60H,4-8,10-11,13-17,19-20,22-24,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1",XFQJFJLWOIVLOP,KSZJBMDGSA,N,"TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",XFQJFJLWOIVLOP-KSZJBMDGSA-N
HMDB50777,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,41,62H,4-8,10-11,13-17,19-20,22-24,31-37,39-40,42-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-/t62-/m0/s1",YFKPXARHQVRQSC,LZTWPWKLSA,N,"TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))",YFKPXARHQVRQSC-LZTWPWKLSA-N
HMDB50778,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,64H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-/t64-/m0/s1",BFSGJLOVAOZJIG,QBLQLLOHSA,N,"TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))",BFSGJLOVAOZJIG-QBLQLLOHSA-N
HMDB50779,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,32,34,37,58H,4-7,9-10,12-16,19,22-24,30-31,33,35-36,38-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-/t58-/m1/s1",QDLUAHNHTJHDBH,QYZTVOSZSA,N,"TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",QDLUAHNHTJHDBH-QYZTVOSZSA-N
HMDB50780,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,32,34,37-38,41,58H,4-7,9-10,12-16,19,22-24,30-31,33,35-36,39-40,42-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-/t58-/m1/s1",VMXKDAMTZSZMOQ,IAEGLYPCSA,N,"TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",VMXKDAMTZSZMOQ-IAEGLYPCSA-N
HMDB50781,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,36,39,60H,4-8,10-11,13-15,17,20,22-24,31-35,37-38,40-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,39-36-/t60-/m1/s1",JYVIIPXGTINXBX,PSACMBRBSA,N,"TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)",JYVIIPXGTINXBX-PSACMBRBSA-N
HMDB50782,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,60H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-/t60-/m1/s1",MHYXIAUVXQNGQB,GCOHTBHKSA,N,"TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)",MHYXIAUVXQNGQB-GCOHTBHKSA-N
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HMDB50808,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,45,48,60H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",NYDVKQSVKPIZDU,VKJFZROSSA,N,"TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",NYDVKQSVKPIZDU-VKJFZROSSA-N
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HMDB50814,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-30,32,35-36,39,41,44-45,48,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",RKWUKQDWDXWGEW,WQZBADRLSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",RKWUKQDWDXWGEW-WQZBADRLSA-N
HMDB50815,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-/t64-/m0/s1",VPZXJQUHPVXKAM,HZHIHESASA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",VPZXJQUHPVXKAM-HZHIHESASA-N
HMDB50816,1044.908491584,C69H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,39,45,48,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-35-,48-45-/t66-/m0/s1",GYDKCXBVKGUBTL,UGHXNWSHSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",GYDKCXBVKGUBTL-UGHXNWSHSA-N
HMDB50817,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,39,42,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-/t60-/m1/s1",ZDPAUWXMIGMKJP,BUQALDFZSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",ZDPAUWXMIGMKJP-BUQALDFZSA-N
HMDB50818,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,39-40,42-43,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-38,41,44-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-/t60-/m1/s1",DYELJOCDTBVSIU,KZRKMPSUSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",DYELJOCDTBVSIU-KZRKMPSUSA-N
HMDB50819,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35,41,44,62H,4-6,8-9,11-15,18,21-24,31,33-34,36-40,42-43,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,44-41-/t62-/m1/s1",KKTAFLDDTLHJHL,UJIQOLIDSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",KKTAFLDDTLHJHL-UJIQOLIDSA-N
HMDB50820,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-36,39,41,44,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,40,42-43,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-/t62-/m1/s1",MRSNRGLRXWGPBM,WXIYKPFTSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",MRSNRGLRXWGPBM-WXIYKPFTSA-N
HMDB50821,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-36,39,41,44-45,48,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",VDZTVQZENNWJQF,XMIDVVHSSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",VDZTVQZENNWJQF-XMIDVVHSSA-N
HMDB50822,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,34,37,43,46,64H,4-7,9-10,12-15,18,21-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-/t64-/m0/s1",ACIZSQHQYLKZCH,RNGIHUSZSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",ACIZSQHQYLKZCH-RNGIHUSZSA-N
HMDB50823,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,64H,4-7,9-10,12-15,18,21-24,31-32,35,38-41,44,47-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-/t64-/m0/s1",NZMHARXFPOFMAB,QPIGZCPFSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",NZMHARXFPOFMAB-QPIGZCPFSA-N
HMDB50824,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,51,54,64H,4-7,9-10,12-15,18,21-24,31-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-/t64-/m0/s1",AMBNTDCMNFUFQJ,ZZOWGWOXSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AMBNTDCMNFUFQJ-ZZOWGWOXSA-N
HMDB50825,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,39,42,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-38,40-41,43-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-/t60-/m1/s1",DPAGBXUISVSPAM,NGIUEERLSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",DPAGBXUISVSPAM-NGIUEERLSA-N
HMDB50826,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,39-40,42-43,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-38,41,44-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-/t60-/m1/s1",SKNOESWTOVXVHT,HZPRMDBYSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",SKNOESWTOVXVHT-HZPRMDBYSA-N
HMDB50827,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-36,39,41,44,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,40,42-43,45-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-/t62-/m1/s1",YVVASCRPHOEXIX,VVGBGVSGSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",YVVASCRPHOEXIX-VVGBGVSGSA-N
HMDB50828,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-36,39,41,44-45,48,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",JETOMRNEPWRNPU,VPTPVGBGSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JETOMRNEPWRNPU-VPTPVGBGSA-N
HMDB50829,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,64H,4-6,9,12-15,18,21-24,31-32,35,38-41,44,47-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-/t64-/m0/s1",HJROQILTQKXJCQ,WVCYERKHSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HJROQILTQKXJCQ-WVCYERKHSA-N
HMDB50830,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,51,54,64H,4-6,9,12-15,18,21-24,31-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-/t64-/m0/s1",NHABMECEXYOIDD,CJYOIAGSSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NHABMECEXYOIDD-CJYOIAGSSA-N
HMDB50831,948.850976706,C63H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-/t61-/m1/s1",IHAZFQHVOPNHHB,UUKAKDEYSA,N,"TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",IHAZFQHVOPNHHB-UUKAKDEYSA-N
HMDB50832,986.830241252,C65H110O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-30,32,35,41,44,50,53,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,44-41-,53-50-",CEFXHRBVXSNHIW,KZXNSSSSSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",CEFXHRBVXSNHIW-KZXNSSSSSA-N
HMDB50833,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",BQSRSTZBNBJFQI,ZWJJEHFHSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",BQSRSTZBNBJFQI-ZWJJEHFHSA-N
HMDB50834,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t64-/m0/s1",RSGSJSTUCLWYSE,SSUUPZEVSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",RSGSJSTUCLWYSE-SSUUPZEVSA-N
HMDB50835,1042.89284152,C69H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,39,45,48,54,57,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-35-,48-45-,57-54-/t66-/m0/s1",ZGWBYOBONQHRLT,CXHADPMYSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",ZGWBYOBONQHRLT-CXHADPMYSA-N
HMDB50836,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,39,42,48,51,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-/t60-/m1/s1",JVXVUTIOKONCJQ,DZGXTAJQSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",JVXVUTIOKONCJQ-DZGXTAJQSA-N
HMDB50837,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,39-40,42-43,48,51,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-,51-48-/t60-/m1/s1",JJJUMJWQLFBDTL,DCPLWYPISA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",JJJUMJWQLFBDTL-DCPLWYPISA-N
HMDB50838,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35,41,44,50,53,62H,4-6,8-9,11-15,18,21-24,31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,44-41-,53-50-/t62-/m1/s1",YTQRWCFEQIQHAW,UYQZEBAFSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",YTQRWCFEQIQHAW-UYQZEBAFSA-N
HMDB50839,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-36,39,41,44,50,53,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,53-50-/t62-/m1/s1",LXSNGPHMXKMNQZ,JCBRYDJFSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",LXSNGPHMXKMNQZ-JCBRYDJFSA-N
HMDB50840,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",CIGMJNJLEJRUAW,LUFCSHBLSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",CIGMJNJLEJRUAW-LUFCSHBLSA-N
HMDB50841,1012.845891326,C67H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,34,37,43,46,52,55,64H,4-7,9-10,12-15,18,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t64-/m0/s1",USKKDWFWRAIDAC,QIBPMDDPSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",USKKDWFWRAIDAC-QIBPMDDPSA-N
HMDB50842,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,52,55,64H,4-7,9-10,12-15,18,21-24,31-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,55-52-/t64-/m0/s1",BQXDBWRIJSFGNT,ZAFMDRFOSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",BQXDBWRIJSFGNT-ZAFMDRFOSA-N
HMDB50843,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-7,9-10,12-15,18,21-24,31-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-/t64-/m0/s1",ZROINLITUJMANG,QPWGGUKZSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZROINLITUJMANG-QPWGGUKZSA-N
HMDB50844,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,39,42,48,51,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-/t60-/m1/s1",CALDQAALECKDMI,XIQYZMJFSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",CALDQAALECKDMI-XIQYZMJFSA-N
HMDB50845,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,39-40,42-43,48,51,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-,51-48-/t60-/m1/s1",BZLWKCBUKUANMW,CZGUCGSWSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",BZLWKCBUKUANMW-CZGUCGSWSA-N
HMDB50846,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-36,39,41,44,50,53,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,53-50-/t62-/m1/s1",MLYNKZHILBDXAA,AMBRSDIRSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",MLYNKZHILBDXAA-AMBRSDIRSA-N
HMDB50847,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",FFYFDHSACVXNGJ,IJKSUETBSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FFYFDHSACVXNGJ-IJKSUETBSA-N
HMDB50848,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,52,55,64H,4-6,9,12-15,18,21-24,31-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,55-52-/t64-/m0/s1",HGMMOLNFYPUARU,ALBXLAKLSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HGMMOLNFYPUARU-ALBXLAKLSA-N
HMDB50849,1004.783291069,C67H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-6,9,12-15,18,21-24,31-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-/t64-/m0/s1",KETIHJZNVGHCJD,OUGHXHPSSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KETIHJZNVGHCJD-OUGHXHPSSA-N
HMDB50850,946.835326642,C63H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,48,51,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-,51-48-/t61-/m1/s1",NDYFDDSWBRUENE,KXQWITRLSA,N,"TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",NDYFDDSWBRUENE-KXQWITRLSA-N
HMDB50851,928.882276822,C61H116O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,59H,4-24,27,30-58H2,1-3H3/b28-25-,29-26-",HODDFEFUYCPVTQ,RZEXXKRKSA,N,TG(20:1(11Z)/o-18:0/20:1(11Z)),HODDFEFUYCPVTQ-RZEXXKRKSA-N
HMDB50852,924.850976706,C61H112O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33,36,42,45,59H,4-24,27,30-32,34-35,37-41,43-44,46-58H2,1-3H3/b28-25-,29-26-,36-33-,45-42-/t59-/m1/s1",BXABDUMCSIHFIE,DLQGIDGISA,N,"TG(20:1(11Z)/o-18:0/20:3(5Z,8Z,11Z))",BXABDUMCSIHFIE-DLQGIDGISA-N
HMDB50853,956.913576964,C63H120O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,61H,4-24,27,30-60H2,1-3H3/b28-25-,29-26-/t61-/m0/s1",NYVBOEBPAQPUMA,RRCUWGHESA,N,TG(20:1(11Z)/o-18:0/22:1(13Z)),NYVBOEBPAQPUMA-RRCUWGHESA-N
HMDB50854,984.944877093,C65H124O5,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,63H,4-24,27,30-62H2,1-3H3/b28-25-,29-26-/t63-/m0/s1",VBOSSEMBCOMVJF,PPUKGSIDSA,N,TG(20:1(11Z)/o-18:0/24:1(15Z)),VBOSSEMBCOMVJF-PPUKGSIDSA-N
HMDB50855,898.835326642,C59H110O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31,57H,4-17,19-20,22-24,26,29-30,32-56H2,1-3H3/b21-18-,28-25-,31-27-/t57-/m1/s1",DFRAOAGIOAZMIC,JYDIDCMOSA,N,"TG(20:1(11Z)/o-18:0/18:2(9Z,12Z))",DFRAOAGIOAZMIC-JYDIDCMOSA-N
HMDB50856,896.819676578,C59H108O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31,37,40,57H,4-17,19-20,22-24,26,29-30,32-36,38-39,41-56H2,1-3H3/b21-18-,28-25-,31-27-,40-37-/t57-/m1/s1",GHUWKZRPVWWAAZ,GEHPVQHZSA,N,"TG(20:1(11Z)/o-18:0/18:3(6Z,9Z,12Z))",GHUWKZRPVWWAAZ-GEHPVQHZSA-N
HMDB50857,926.866626771,C61H114O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,59H,4-15,17-18,20-24,27,30-58H2,1-3H3/b19-16-,28-25-,29-26-/t59-/m1/s1",PKYHAMJIVRQXKF,IUJIAQQVSA,N,TG(20:1(11Z)/o-18:0/20:2n6),PKYHAMJIVRQXKF-IUJIAQQVSA-N
HMDB50858,924.850976706,C61H112O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,59H,4-15,17-18,20-24,27,30-32,34-35,37-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-/t59-/m1/s1",NYZDQWXRUMWJEF,PJQDDADQSA,N,TG(20:1(11Z)/o-18:0/20:3n6),NYZDQWXRUMWJEF-PJQDDADQSA-N
HMDB50859,922.835326642,C61H110O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,42,45,59H,4-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,45-42-/t59-/m1/s1",COXFYQPGFSFGPF,GMDBPKLJSA,N,"TG(20:1(11Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))",COXFYQPGFSFGPF-GMDBPKLJSA-N
HMDB50860,954.8979269,C63H118O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,61H,4-15,17-18,20-24,27,30-60H2,1-3H3/b19-16-,28-25-,29-26-/t61-/m0/s1",JQFYUNTYJPUUBW,DELKLOGMSA,N,"TG(20:1(11Z)/o-18:0/22:2(13Z,16Z))",JQFYUNTYJPUUBW-DELKLOGMSA-N
HMDB50861,950.866626771,C63H114O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,61H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-/t61-/m0/s1",CRPGFZTUFREYFV,GEDGJZCPSA,N,"TG(20:1(11Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))",CRPGFZTUFREYFV-GEDGJZCPSA-N
HMDB50862,948.850976706,C63H112O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,48,51,61H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-,51-48-/t61-/m0/s1",WDXAQMAKFLAOHN,FOHRYCQXSA,N,"TG(20:1(11Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",WDXAQMAKFLAOHN-FOHRYCQXSA-N
HMDB50863,896.819676578,C59H108O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-/t57-/m1/s1",MIHGQQZPXSPKSP,ZGCLCFIDSA,N,"TG(20:1(11Z)/o-18:0/18:3(9Z,12Z,15Z))",MIHGQQZPXSPKSP-ZGCLCFIDSA-N
HMDB50864,894.804026513,C59H106O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31,37,40,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-36,38-39,41-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,40-37-/t57-/m1/s1",HABYCXZFIKEAOD,RLZMTPRASA,N,"TG(20:1(11Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",HABYCXZFIKEAOD-RLZMTPRASA-N
HMDB50865,922.835326642,C61H110O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-/t59-/m1/s1",YIQFFRSCZMZKIO,AVBFRBATSA,N,"TG(20:1(11Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",YIQFFRSCZMZKIO-AVBFRBATSA-N
HMDB50866,920.819676578,C61H108O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,42,45,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,45-42-/t59-/m1/s1",SBVFBZGVDGJOAG,JSJBFYICSA,N,"TG(20:1(11Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",SBVFBZGVDGJOAG-JSJBFYICSA-N
HMDB50867,948.850976706,C63H112O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-/t61-/m0/s1",OHDFRISQFVTZCL,ZVAJQFFRSA,N,"TG(20:1(11Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",OHDFRISQFVTZCL-ZVAJQFFRSA-N
HMDB50868,946.835326642,C63H110O5,[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,48,51,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-,51-48-/t61-/m0/s1",NUQDIIUFEYYUGK,IHAHFTHXSA,N,"TG(20:1(11Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NUQDIIUFEYYUGK-IHAHFTHXSA-N
HMDB50869,878.736340868,C57H98O6,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30-33,37-38,40-41,54H,4-23,28-29,34-36,39,42-53H2,1-3H3/b26-24-,27-25-,32-30-,33-31-,40-37-,41-38-",IOTHCLRVCXLKHX,BWMDCHBASA,N,"TG(20:3(5Z,8Z,11Z)/14:0/20:3(5Z,8Z,11Z))",IOTHCLRVCXLKHX-BWMDCHBASA-N
HMDB50870,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24-27,32,34,39,42,56H,4-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b26-24-,27-25-,34-32-,42-39-/t56-/m0/s1",ZMKMMQTYLHETFT,XTPNZPAVSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/22:1(13Z))",ZMKMMQTYLHETFT-XTPNZPAVSA-N
HMDB50871,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24-27,34,36,41,44,58H,4-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b26-24-,27-25-,36-34-,44-41-/t58-/m0/s1",GAQSYHGNKUYUAQ,GIICRSPRSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/24:1(15Z))",GAQSYHGNKUYUAQ-GIICRSPRSA-N
HMDB50872,852.720690811,C55H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28-29,31,36,39,52H,4-16,18-19,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m1/s1",CSHNWGMOFDDION,DFTHNFDESA,N,"TG(20:3(5Z,8Z,11Z)/14:0/18:2(9Z,12Z))",CSHNWGMOFDDION-DFTHNFDESA-N
HMDB50873,850.705040747,C55H94O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28-29,31,33,35-36,39,52H,4-16,18-19,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b20-17-,26-24-,28-25-,31-29-,35-33-,39-36-/t52-/m1/s1",SWRIRWHYLBZJPC,GPHLXLLUSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/18:3(6Z,9Z,12Z))",SWRIRWHYLBZJPC-GPHLXLLUSA-N
HMDB50874,880.75199094,C57H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,31,33,38,41,54H,4-15,17-18,20-23,28-30,32,34-37,39-40,42-53H2,1-3H3/b19-16-,26-24-,27-25-,33-31-,41-38-/t54-/m1/s1",TVFKBKZPDYIUEQ,TUUNMDAESA,N,"TG(20:3(5Z,8Z,11Z)/14:0/20:2n6)",TVFKBKZPDYIUEQ-TUUNMDAESA-N
HMDB50875,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30-33,38,41,54H,4-15,17-18,20-23,28-29,34-37,39-40,42-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m1/s1",SNJKQERYVPKKTF,CYXQJUOTSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/20:3n6)",SNJKQERYVPKKTF-CYXQJUOTSA-N
HMDB50876,876.720690811,C57H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30-33,37-38,40-41,54H,4-15,17-18,20-23,28-29,34-36,39,42-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-/t54-/m1/s1",XMXHHNNSGSCMDU,JGHNBADESA,N,"TG(20:3(5Z,8Z,11Z)/14:0/20:4(5Z,8Z,11Z,14Z))",XMXHHNNSGSCMDU-JGHNBADESA-N
HMDB50877,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,32,34,39,42,56H,4-15,17-18,20-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b19-16-,26-24-,27-25-,34-32-,42-39-/t56-/m0/s1",XOZDNOZHEZMYQW,LUMMDKLQSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/22:2(13Z,16Z))",XOZDNOZHEZMYQW-LUMMDKLQSA-N
HMDB50878,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31-32,34-35,38-39,42,56H,4-15,17-18,20-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m0/s1",SPUQPIISZHRLIJ,GQIRDFOCSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/22:4(7Z,10Z,13Z,16Z))",SPUQPIISZHRLIJ-GQIRDFOCSA-N
HMDB50879,902.736340876,C59H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-15,17-18,20-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-/t56-/m0/s1",DHGFOOFIRLGEPQ,LVEIVNHDSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",DHGFOOFIRLGEPQ-LVEIVNHDSA-N
HMDB50880,850.705040747,C55H94O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-29,31,36,39,52H,4-7,9-10,12-16,18-19,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m1/s1",DBRPXICCHVSMKP,HVWLHZLMSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/18:3(9Z,12Z,15Z))",DBRPXICCHVSMKP-HVWLHZLMSA-N
HMDB50881,848.689390682,C55H92O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-29,31,33,35-36,39,52H,4-7,9-10,12-16,18-19,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-/t52-/m1/s1",XHUGUTFLCRYFAD,YKQJMCMQSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/18:4(6Z,9Z,12Z,15Z))",XHUGUTFLCRYFAD-YKQJMCMQSA-N
HMDB50882,876.720690811,C57H96O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30-33,38,41,54H,4-6,8-9,11-15,17-18,20-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m1/s1",JKZNECBNEOXCQH,OEEWKLSWSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/20:4(8Z,11Z,14Z,17Z))",JKZNECBNEOXCQH-OEEWKLSWSA-N
HMDB50883,874.705040747,C57H94O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30-33,37-38,40-41,54H,4-6,8-9,11-15,17-18,20-23,28-29,34-36,39,42-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-/t54-/m1/s1",IHHRGJNAJKUXEN,AYCOGIBRSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",IHHRGJNAJKUXEN-AYCOGIBRSA-N
HMDB50884,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31-32,34-35,38-39,42,56H,4-6,8-9,11-15,17-18,20-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m0/s1",DJJFUUOOJHANMF,AXXWMNQCSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",DJJFUUOOJHANMF-AXXWMNQCSA-N
HMDB50885,900.720690811,C59H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-6,8-9,11-15,17-18,20-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-/t56-/m0/s1",LSYRFXMMGSZPLP,VCRACHTMSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LSYRFXMMGSZPLP-VCRACHTMSA-N
HMDB50886,842.772726384,C55H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,29,31,36,39,53H,4-23,25,27-28,30,32-35,37-38,40-52H2,1-3H3/b26-24-,31-29-,39-36-/t53-/m1/s1",YSTMVIOAKCDXEL,CAMJIYRZSA,N,"TG(20:3(5Z,8Z,11Z)/14:0/o-18:0)",YSTMVIOAKCDXEL-CAMJIYRZSA-N
HMDB50887,892.751990932,C58H100O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31-34,38-39,41-42,55H,4-24,29-30,35-37,40,43-54H2,1-3H3/b27-25-,28-26-,33-31-,34-32-,41-38-,42-39-",PZPSSRGBUXQGHM,LVRVIPJASA,N,"TG(20:3(5Z,8Z,11Z)/15:0/20:3(5Z,8Z,11Z))",PZPSSRGBUXQGHM-LVRVIPJASA-N
HMDB50888,924.814591198,C60H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,33,35,40,43,57H,4-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b27-25-,28-26-,35-33-,43-40-/t57-/m0/s1",QEBJNHKTVIQXLY,CCEFQMAESA,N,"TG(20:3(5Z,8Z,11Z)/15:0/22:1(13Z))",QEBJNHKTVIQXLY-CCEFQMAESA-N
HMDB50889,952.845891326,C62H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,35,37,42,45,59H,4-24,29-34,36,38-41,43-44,46-58H2,1-3H3/b27-25-,28-26-,37-35-,45-42-/t59-/m0/s1",PQWYADLYMTXVDN,DBGMXLFDSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/24:1(15Z))",PQWYADLYMTXVDN-DBGMXLFDSA-N
HMDB50890,866.736340876,C56H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32,37,40,53H,4-16,18-19,21-24,28,31,33-36,38-39,41-52H2,1-3H3/b20-17-,27-25-,29-26-,32-30-,40-37-/t53-/m1/s1",BHBVRCHRSFLCMF,XPGLDXLWSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/18:2(9Z,12Z))",BHBVRCHRSFLCMF-XPGLDXLWSA-N
HMDB50891,864.720690811,C56H96O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32,34,36-37,40,53H,4-16,18-19,21-24,28,31,33,35,38-39,41-52H2,1-3H3/b20-17-,27-25-,29-26-,32-30-,36-34-,40-37-/t53-/m1/s1",UNRGFWKSPXEEAO,LNKYEYTMSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/18:3(6Z,9Z,12Z))",UNRGFWKSPXEEAO-LNKYEYTMSA-N
HMDB50892,894.767641004,C58H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,32,34,39,42,55H,4-15,17-18,20-24,29-31,33,35-38,40-41,43-54H2,1-3H3/b19-16-,27-25-,28-26-,34-32-,42-39-/t55-/m1/s1",CFMXJJZKVYQBAU,DYVSQEMTSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/20:2n6)",CFMXJJZKVYQBAU-DYVSQEMTSA-N
HMDB50893,892.75199094,C58H100O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-34,39,42,55H,4-15,17-18,20-24,29-30,35-38,40-41,43-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,34-32-,42-39-/t55-/m1/s1",YVXBIGYWIYGCEL,CEMYEOLASA,N,"TG(20:3(5Z,8Z,11Z)/15:0/20:3n6)",YVXBIGYWIYGCEL-CEMYEOLASA-N
HMDB50894,890.736340876,C58H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-34,38-39,41-42,55H,4-15,17-18,20-24,29-30,35-37,40,43-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-/t55-/m1/s1",LLBNMBNTHOLERZ,NXCPJAGTSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/20:4(5Z,8Z,11Z,14Z))",LLBNMBNTHOLERZ-NXCPJAGTSA-N
HMDB50895,922.798941133,C60H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,33,35,40,43,57H,4-15,17-18,20-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b19-16-,27-25-,28-26-,35-33-,43-40-/t57-/m0/s1",NOHBZSHYZSLUCB,CDHWKNECSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/22:2(13Z,16Z))",NOHBZSHYZSLUCB-CDHWKNECSA-N
HMDB50896,918.767641004,C60H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,35-36,39-40,43,57H,4-15,17-18,20-24,29,31,34,37-38,41-42,44-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-/t57-/m0/s1",TUPVEKKDHNMNOV,HUMMTEBDSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/22:4(7Z,10Z,13Z,16Z))",TUPVEKKDHNMNOV-HUMMTEBDSA-N
HMDB50897,916.75199094,C60H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,35-36,39-40,43-44,47,57H,4-15,17-18,20-24,29,31,34,37-38,41-42,45-46,48-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-,47-44-/t57-/m0/s1",CSULWECAFVKGPG,QJWNJDBDSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",CSULWECAFVKGPG-QJWNJDBDSA-N
HMDB50898,864.720690811,C56H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,32,37,40,53H,4-7,9-10,12-16,18-19,21-24,28,31,33-36,38-39,41-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,32-30-,40-37-/t53-/m1/s1",CYEUSHTZEUJFNO,DFMUXATHSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/18:3(9Z,12Z,15Z))",CYEUSHTZEUJFNO-DFMUXATHSA-N
HMDB50899,862.705040747,C56H94O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,32,34,36-37,40,53H,4-7,9-10,12-16,18-19,21-24,28,31,33,35,38-39,41-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,32-30-,36-34-,40-37-/t53-/m1/s1",UTHXZAXSLNPJSO,UOJMDKGTSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/18:4(6Z,9Z,12Z,15Z))",UTHXZAXSLNPJSO-UOJMDKGTSA-N
HMDB50900,890.736340876,C58H98O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-34,39,42,55H,4-6,8-9,11-15,17-18,20-24,29-30,35-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,34-32-,42-39-/t55-/m1/s1",SYPHUIVTXRUGMF,GSFRVUNMSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/20:4(8Z,11Z,14Z,17Z))",SYPHUIVTXRUGMF-GSFRVUNMSA-N
HMDB50901,888.720690811,C58H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-34,38-39,41-42,55H,4-6,8-9,11-15,17-18,20-24,29-30,35-37,40,43-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-/t55-/m1/s1",DOWLBBBXORFJCO,VFMUEKNPSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",DOWLBBBXORFJCO-VFMUEKNPSA-N
HMDB50902,916.75199094,C60H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,35-36,39-40,43,57H,4-6,8-9,11-15,17-18,20-24,29,31,34,37-38,41-42,44-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-/t57-/m0/s1",WWSSIRBQQBIPQL,BGUQGTDBSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",WWSSIRBQQBIPQL-BGUQGTDBSA-N
HMDB50903,914.736340876,C60H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,35-36,39-40,43-44,47,57H,4-6,8-9,11-15,17-18,20-24,29,31,34,37-38,41-42,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-,47-44-/t57-/m0/s1",YSNOVQXCQGECKZ,PYSISACWSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YSNOVQXCQGECKZ-PYSISACWSA-N
HMDB50904,856.788376449,C56H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,32,37,40,54H,4-24,26,28-29,31,33-36,38-39,41-53H2,1-3H3/b27-25-,32-30-,40-37-/t54-/m1/s1",RZTGUTBXLHSSBG,VWADSNBZSA,N,"TG(20:3(5Z,8Z,11Z)/15:0/o-18:0)",RZTGUTBXLHSSBG-VWADSNBZSA-N
HMDB50905,906.767640996,C59H102O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31-32,34-35,39-40,42-43,56H,4-24,29-30,33,36-38,41,44-55H2,1-3H3/b27-25-,28-26-,34-31-,35-32-,42-39-,43-40-",VNZYRMQWKVVKIT,KMRKUHDFSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/20:3(5Z,8Z,11Z))",VNZYRMQWKVVKIT-KMRKUHDFSA-N
HMDB50906,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,33,36,41,44,58H,4-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b27-25-,28-26-,36-33-,44-41-/t58-/m0/s1",MVIQOCPGVCDPJO,AFLFQSMPSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/22:1(13Z))",MVIQOCPGVCDPJO-AFLFQSMPSA-N
HMDB50907,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,35,38,43,46,60H,4-24,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b27-25-,28-26-,38-35-,46-43-/t60-/m0/s1",QCRGSRJHSCHLOD,HOODNAODSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/24:1(15Z))",QCRGSRJHSCHLOD-HOODNAODSA-N
HMDB50908,880.75199094,C57H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,33,38,41,54H,4-16,18-19,21-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b20-17-,27-25-,29-26-,33-30-,41-38-/t54-/m1/s1",AMYBBMIDIXFAAQ,ASRHAWKCSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/18:2(9Z,12Z))",AMYBBMIDIXFAAQ-ASRHAWKCSA-N
HMDB50909,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,33-34,37-38,41,54H,4-16,18-19,21-24,28,31-32,35-36,39-40,42-53H2,1-3H3/b20-17-,27-25-,29-26-,33-30-,37-34-,41-38-/t54-/m1/s1",UDGGHLVRDUXWIX,JUSBAZAVSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/18:3(6Z,9Z,12Z))",UDGGHLVRDUXWIX-JUSBAZAVSA-N
HMDB50910,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,32,35,40,43,56H,4-15,17-18,20-24,29-31,33-34,36-39,41-42,44-55H2,1-3H3/b19-16-,27-25-,28-26-,35-32-,43-40-/t56-/m1/s1",QNMWZYRCXUVIKP,QONQVKJZSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/20:2n6)",QNMWZYRCXUVIKP-QONQVKJZSA-N
HMDB50911,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-32,34-35,40,43,56H,4-15,17-18,20-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m1/s1",MORAFOYNUMWPDM,UYMZOTLASA,N,"TG(20:3(5Z,8Z,11Z)/16:0/20:3n6)",MORAFOYNUMWPDM-UYMZOTLASA-N
HMDB50912,904.75199094,C59H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-32,34-35,39-40,42-43,56H,4-15,17-18,20-24,29-30,33,36-38,41,44-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-/t56-/m1/s1",CSDYKLCRVPCQJN,CYIXCYQYSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/20:4(5Z,8Z,11Z,14Z))",CSDYKLCRVPCQJN-CYIXCYQYSA-N
HMDB50913,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,33,36,41,44,58H,4-15,17-18,20-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b19-16-,27-25-,28-26-,36-33-,44-41-/t58-/m0/s1",BIKWMAMMRPXMFQ,HDFXTCMSSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/22:2(13Z,16Z))",BIKWMAMMRPXMFQ-HDFXTCMSSA-N
HMDB50914,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,36-37,39,41,44,58H,4-15,17-18,20-24,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m0/s1",NPJIILMSXNKDSE,KDHIXIKBSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/22:4(7Z,10Z,13Z,16Z))",NPJIILMSXNKDSE-KDHIXIKBSA-N
HMDB50915,930.767641004,C61H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,36-37,39,41,44-45,48,58H,4-15,17-18,20-24,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m0/s1",VRCVJJRYCGVFDP,UYDJMRIHSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",VRCVJJRYCGVFDP-UYDJMRIHSA-N
HMDB50916,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,33,38,41,54H,4-7,9-10,12-16,18-19,21-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,33-30-,41-38-/t54-/m1/s1",DKSBIUIIBXPHFI,ZXTVGCGGSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/18:3(9Z,12Z,15Z))",DKSBIUIIBXPHFI-ZXTVGCGGSA-N
HMDB50917,876.720690811,C57H96O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,33-34,37-38,41,54H,4-7,9-10,12-16,18-19,21-24,28,31-32,35-36,39-40,42-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,33-30-,37-34-,41-38-/t54-/m1/s1",BGSGSXKLEHTECD,LXLKJGBVSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/18:4(6Z,9Z,12Z,15Z))",BGSGSXKLEHTECD-LXLKJGBVSA-N
HMDB50918,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-32,34-35,40,43,56H,4-6,8-9,11-15,17-18,20-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m1/s1",CSYAPPPSOILJFD,JQATYUAPSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/20:4(8Z,11Z,14Z,17Z))",CSYAPPPSOILJFD-JQATYUAPSA-N
HMDB50919,902.736340876,C59H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-32,34-35,39-40,42-43,56H,4-6,8-9,11-15,17-18,20-24,29-30,33,36-38,41,44-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-/t56-/m1/s1",KZRCPJIANHTVQD,JSGCRMIZSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",KZRCPJIANHTVQD-JSGCRMIZSA-N
HMDB50920,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,36-37,39,41,44,58H,4-6,8-9,11-15,17-18,20-24,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m0/s1",URFLEEPHTVENKP,AFMVWUOGSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",URFLEEPHTVENKP-AFMVWUOGSA-N
HMDB50921,928.75199094,C61H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,36-37,39,41,44-45,48,58H,4-6,8-9,11-15,17-18,20-24,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m0/s1",JXDFGADNQNRYFG,IRSAMLNOSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JXDFGADNQNRYFG-IRSAMLNOSA-N
HMDB50922,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,33,38,41,55H,4-24,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b27-25-,33-30-,41-38-/t55-/m1/s1",TYZDMXCEMORABR,XKSOYUSWSA,N,"TG(20:3(5Z,8Z,11Z)/16:0/o-18:0)",TYZDMXCEMORABR-XKSOYUSWSA-N
HMDB50923,934.798941124,C61H106O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33-36,41-42,44-45,58H,4-24,27,30-32,37-40,43,46-57H2,1-3H3/b28-25-,29-26-,35-33-,36-34-,44-41-,45-42-",QQICCGNXUGUQGN,KVDDWDNCSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/20:3(5Z,8Z,11Z))",QQICCGNXUGUQGN-KVDDWDNCSA-N
HMDB50924,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,35,37,43,46,60H,4-24,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b28-25-,29-26-,37-35-,46-43-/t60-/m0/s1",AONZFAXPHFTHIO,KUIHNVKKSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/22:1(13Z))",AONZFAXPHFTHIO-KUIHNVKKSA-N
HMDB50925,994.89284152,C65H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,37,39,45,48,62H,4-24,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b28-25-,29-26-,39-37-,48-45-/t62-/m0/s1",LZPUQOZAIXEFFK,GQTZCBASSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/24:1(15Z))",LZPUQOZAIXEFFK-GQTZCBASSA-N
HMDB50926,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,30,32,34,40,43,56H,4-16,18-19,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b20-17-,28-25-,30-26-,34-32-,43-40-/t56-/m1/s1",YQBRZZJGWGFMSZ,ILZGCTPQSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/18:2(9Z,12Z))",YQBRZZJGWGFMSZ-ILZGCTPQSA-N
HMDB50927,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,30,32,34,36,39-40,43,56H,4-16,18-19,21-24,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b20-17-,28-25-,30-26-,34-32-,39-36-,43-40-/t56-/m1/s1",IWPXXWGKRXPZIO,MKKNFTJWSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/18:3(6Z,9Z,12Z))",IWPXXWGKRXPZIO-MKKNFTJWSA-N
HMDB50928,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,36,42,45,58H,4-15,17-18,20-24,27,30-33,35,37-41,43-44,46-57H2,1-3H3/b19-16-,28-25-,29-26-,36-34-,45-42-/t58-/m1/s1",DCXPLILCINSXEV,WRXHCIRUSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/20:2n6)",DCXPLILCINSXEV-WRXHCIRUSA-N
HMDB50929,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-36,42,45,58H,4-15,17-18,20-24,27,30-32,37-41,43-44,46-57H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,36-34-,45-42-/t58-/m1/s1",KHGGQIJARGAPPC,NPNKBDFGSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/20:3n6)",KHGGQIJARGAPPC-NPNKBDFGSA-N
HMDB50930,932.783291069,C61H104O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-36,41-42,44-45,58H,4-15,17-18,20-24,27,30-32,37-40,43,46-57H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-/t58-/m1/s1",DPEXWSIZKZAAII,HRSBLWBVSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/20:4(5Z,8Z,11Z,14Z))",DPEXWSIZKZAAII-HRSBLWBVSA-N
HMDB50931,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,35,37,43,46,60H,4-15,17-18,20-24,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,29-26-,37-35-,46-43-/t60-/m0/s1",LHTAXCCUUDIJJC,LVZFOJSQSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/22:2(13Z,16Z))",LHTAXCCUUDIJJC-LVZFOJSQSA-N
HMDB50932,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,35,37-38,41,43,46,60H,4-15,17-18,20-24,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-/t60-/m0/s1",CKCWAKLVIIOSJK,VRUNCTJPSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/22:4(7Z,10Z,13Z,16Z))",CKCWAKLVIIOSJK-VRUNCTJPSA-N
HMDB50933,958.798941133,C63H106O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-15,17-18,20-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",GPZNPRSWWAGAKP,COYAEVMUSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",GPZNPRSWWAGAKP-COYAEVMUSA-N
HMDB50934,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,30,32,34,40,43,56H,4-7,9-10,12-16,18-19,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,34-32-,43-40-/t56-/m1/s1",VNYDQXOEBMEZHC,LGNNBYETSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/18:3(9Z,12Z,15Z))",VNYDQXOEBMEZHC-LGNNBYETSA-N
HMDB50935,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,30,32,34,36,39-40,43,56H,4-7,9-10,12-16,18-19,21-24,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,34-32-,39-36-,43-40-/t56-/m1/s1",TWDVASHVWGTJPZ,WAJIMDLMSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/18:4(6Z,9Z,12Z,15Z))",TWDVASHVWGTJPZ-WAJIMDLMSA-N
HMDB50936,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-36,42,45,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,36-34-,45-42-/t58-/m1/s1",JVSOLJSHVAOFFJ,RSVHKQPDSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/20:4(8Z,11Z,14Z,17Z))",JVSOLJSHVAOFFJ-RSVHKQPDSA-N
HMDB50937,930.767641004,C61H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-36,41-42,44-45,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-/t58-/m1/s1",YUSGGGSBACCRAV,ZKMIWXAKSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",YUSGGGSBACCRAV-ZKMIWXAKSA-N
HMDB50938,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,35,37-38,41,43,46,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-/t60-/m0/s1",ABQXBTBXGFBZIV,VZPWGZFTSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",ABQXBTBXGFBZIV-VZPWGZFTSA-N
HMDB50939,956.783291069,C63H104O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",IALRONIRWRXXFJ,LLIZJPEJSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IALRONIRWRXXFJ-LLIZJPEJSA-N
HMDB50940,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,28,32,34,40,43,57H,4-24,26-27,29-31,33,35-39,41-42,44-56H2,1-3H3/b28-25-,34-32-,43-40-/t57-/m1/s1",RPSYDHOYGQLLAL,LCBIWPEJSA,N,"TG(20:3(5Z,8Z,11Z)/18:0/o-18:0)",RPSYDHOYGQLLAL-LCBIWPEJSA-N
HMDB50941,962.830241252,C63H110O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,34-35,37-38,43-44,46-47,60H,4-24,27,30-33,36,39-42,45,48-59H2,1-3H3/b28-25-,29-26-,37-34-,38-35-,46-43-,47-44-",XHEAJMDJLPMZEK,CRDXHJEPSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/20:3(5Z,8Z,11Z))",XHEAJMDJLPMZEK-CRDXHJEPSA-N
HMDB50942,994.89284152,C65H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,36,39,45,48,62H,4-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b28-25-,29-26-,39-36-,48-45-/t62-/m0/s1",HZWQDDQCFIXHSS,OKVQDHAQSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/22:1(13Z))",HZWQDDQCFIXHSS-OKVQDHAQSA-N
HMDB50943,1022.924141648,C67H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,38,41,47,50,64H,4-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b28-25-,29-26-,41-38-,50-47-/t64-/m0/s1",LIQHDORNCQUVAP,QITDQCCMSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/24:1(15Z))",LIQHDORNCQUVAP-QITDQCCMSA-N
HMDB50944,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32-33,36,42,45,58H,4-17,19-20,22-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b21-18-,28-25-,32-27-,36-33-,45-42-/t58-/m1/s1",DWPFDAGSCWDNHW,JGLXHPNYSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/18:2(9Z,12Z))",DWPFDAGSCWDNHW-JGLXHPNYSA-N
HMDB50945,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32-33,36,38,41-42,45,58H,4-17,19-20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b21-18-,28-25-,32-27-,36-33-,41-38-,45-42-/t58-/m1/s1",CGCWWNSYWRXFKW,XCQIONGSSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/18:3(6Z,9Z,12Z))",CGCWWNSYWRXFKW-XCQIONGSSA-N
HMDB50946,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,35,38,44,47,60H,4-15,17-18,20-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,38-35-,47-44-/t60-/m1/s1",LKMYGIJKNMNLDQ,AWKIPFIXSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/20:2n6)",LKMYGIJKNMNLDQ-AWKIPFIXSA-N
HMDB50947,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34-35,37-38,44,47,60H,4-15,17-18,20-24,27,30-33,36,39-43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,38-35-,47-44-/t60-/m1/s1",UAJDOZFIHLGIOJ,HFXNBUSZSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/20:3n6)",UAJDOZFIHLGIOJ-HFXNBUSZSA-N
HMDB50948,960.814591198,C63H108O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34-35,37-38,43-44,46-47,60H,4-15,17-18,20-24,27,30-33,36,39-42,45,48-59H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-/t60-/m1/s1",DMKFGINCBLQLMU,OTOPMHJCSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/20:4(5Z,8Z,11Z,14Z))",DMKFGINCBLQLMU-OTOPMHJCSA-N
HMDB50949,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,36,39,45,48,62H,4-15,17-18,20-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,39-36-,48-45-/t62-/m0/s1",BZQYDPWEVUMCDR,JJNOVOHDSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/22:2(13Z,16Z))",BZQYDPWEVUMCDR-JJNOVOHDSA-N
HMDB50950,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35-36,39-40,43,45,48,62H,4-15,17-18,20-24,27,30-31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-/t62-/m0/s1",DYEOWZZQZJHODB,GGQUCTONSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/22:4(7Z,10Z,13Z,16Z))",DYEOWZZQZJHODB-GGQUCTONSA-N
HMDB50951,986.830241262,C65H110O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-15,17-18,20-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-/t62-/m0/s1",NVIMBXHVQMAPSG,JWHYTUPKSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",NVIMBXHVQMAPSG-JWHYTUPKSA-N
HMDB50952,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32-33,36,42,45,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-,36-33-,45-42-/t58-/m1/s1",MFIYPJYBXWBYKL,CQEWWPGKSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/18:3(9Z,12Z,15Z))",MFIYPJYBXWBYKL-CQEWWPGKSA-N
HMDB50953,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32-33,36,38,41-42,45,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-,36-33-,41-38-,45-42-/t58-/m1/s1",UJDZWJKXQZLDRQ,GKGFMUJMSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/18:4(6Z,9Z,12Z,15Z))",UJDZWJKXQZLDRQ-GKGFMUJMSA-N
HMDB50954,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34-35,37-38,44,47,60H,4-6,8-9,11-15,17-18,20-24,27,30-33,36,39-43,45-46,48-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-,38-35-,47-44-/t60-/m1/s1",AZKIVKXZRXOULI,DWNWHCMOSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/20:4(8Z,11Z,14Z,17Z))",AZKIVKXZRXOULI-DWNWHCMOSA-N
HMDB50955,958.798941133,C63H106O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34-35,37-38,43-44,46-47,60H,4-6,8-9,11-15,17-18,20-24,27,30-33,36,39-42,45,48-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-/t60-/m1/s1",BBGDVLRKNFSFTF,MAYGPMTGSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",BBGDVLRKNFSFTF-MAYGPMTGSA-N
HMDB50956,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35-36,39-40,43,45,48,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-/t62-/m0/s1",QQGYOHQARXJGPT,WRKPJIRLSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",QQGYOHQARXJGPT-WRKPJIRLSA-N
HMDB50957,984.814591198,C65H108O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-/t62-/m0/s1",JQGPXNOMRIXRGH,UPOCCIOYSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JQGPXNOMRIXRGH-UPOCCIOYSA-N
HMDB50958,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,33,36,42,45,59H,4-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b28-25-,36-33-,45-42-/t59-/m1/s1",ZYGIRJGVMNSFKT,VFADWVNGSA,N,"TG(20:3(5Z,8Z,11Z)/20:0/o-18:0)",ZYGIRJGVMNSFKT-VFADWVNGSA-N
HMDB50959,990.86154138,C65H114O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,36-37,39-40,45-46,48-49,62H,4-25,28,31-35,38,41-44,47,50-61H2,1-3H3/b29-26-,30-27-,39-36-,40-37-,48-45-,49-46-",MLIPOKQGQUBGCV,UTKZWUADSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/20:3(5Z,8Z,11Z))",MLIPOKQGQUBGCV-UTKZWUADSA-N
HMDB50960,1022.924141648,C67H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,38,41,47,50,64H,4-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b28-25-,30-27-,41-38-,50-47-/t64-/m0/s1",YVPUBUHDHBTOAY,YHVUCDSNSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/22:1(13Z))",YVPUBUHDHBTOAY-YHVUCDSNSA-N
HMDB50961,1050.955441777,C69H126O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,40,43,49,52,66H,4-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b28-25-,30-27-,43-40-,52-49-/t66-/m0/s1",MUTYNNWZPUKMNW,NLAIDUBNSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/24:1(15Z))",MUTYNNWZPUKMNW-NLAIDUBNSA-N
HMDB50962,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34-35,38,44,47,60H,4-17,19-20,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b21-18-,29-26-,34-27-,38-35-,47-44-/t60-/m1/s1",ANGCSMRUARXHTN,WZGMWKSFSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/18:2(9Z,12Z))",ANGCSMRUARXHTN-WZGMWKSFSA-N
HMDB50963,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34-35,38,40,43-44,47,60H,4-17,19-20,22-25,28,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b21-18-,29-26-,34-27-,38-35-,43-40-,47-44-/t60-/m1/s1",UHDCEJARBRUIDB,NZNUNPNBSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/18:3(6Z,9Z,12Z))",UHDCEJARBRUIDB-NZNUNPNBSA-N
HMDB50964,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,37,40,46,49,62H,4-16,18-19,21-25,28,31-36,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,29-26-,30-27-,40-37-,49-46-/t62-/m1/s1",RDTHSPANNUIURJ,ZSVRQTOISA,N,"TG(20:3(5Z,8Z,11Z)/22:0/20:2n6)",RDTHSPANNUIURJ-ZSVRQTOISA-N
HMDB50965,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36-37,39-40,46,49,62H,4-16,18-19,21-25,28,31-35,38,41-45,47-48,50-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,40-37-,49-46-/t62-/m1/s1",NTRXRVSYYPWPTO,KCDZGLPNSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/20:3n6)",NTRXRVSYYPWPTO-KCDZGLPNSA-N
HMDB50966,988.845891326,C65H112O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36-37,39-40,45-46,48-49,62H,4-16,18-19,21-25,28,31-35,38,41-44,47,50-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-/t62-/m1/s1",STFXKZQAVKFIOS,TZSRQFDTSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/20:4(5Z,8Z,11Z,14Z))",STFXKZQAVKFIOS-TZSRQFDTSA-N
HMDB50967,1020.908491584,C67H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,38,41,47,50,64H,4-15,17-18,20-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b19-16-,28-25-,30-27-,41-38-,50-47-/t64-/m0/s1",YNOQYZPXTCMYDB,HLODKMSESA,N,"TG(20:3(5Z,8Z,11Z)/22:0/22:2(13Z,16Z))",YNOQYZPXTCMYDB-HLODKMSESA-N
HMDB50968,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-15,17-18,20-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m0/s1",OLBVRMTVXKHWNH,JPDGSTHDSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/22:4(7Z,10Z,13Z,16Z))",OLBVRMTVXKHWNH-JPDGSTHDSA-N
HMDB50969,1014.861541391,C67H114O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-15,17-18,20-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-/t64-/m0/s1",XHAKUXAVBWGARU,FEKJDMHCSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",XHAKUXAVBWGARU-FEKJDMHCSA-N
HMDB50970,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34-35,38,44,47,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,38-35-,47-44-/t60-/m1/s1",OSSYIJMBFKKOMK,HFQLDRFKSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/18:3(9Z,12Z,15Z))",OSSYIJMBFKKOMK-HFQLDRFKSA-N
HMDB50971,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34-35,38,40,43-44,47,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,38-35-,43-40-,47-44-/t60-/m1/s1",MOVZJOBAKKQOQP,NLEUEJKOSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/18:4(6Z,9Z,12Z,15Z))",MOVZJOBAKKQOQP-NLEUEJKOSA-N
HMDB50972,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36-37,39-40,46,49,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,38,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,40-37-,49-46-/t62-/m1/s1",CGVKDTPOXIQZBY,PHEOCPHHSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/20:4(8Z,11Z,14Z,17Z))",CGVKDTPOXIQZBY-PHEOCPHHSA-N
HMDB50973,986.830241262,C65H110O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36-37,39-40,45-46,48-49,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-/t62-/m1/s1",HXACMIQGUXNESO,CDYMVXOLSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",HXACMIQGUXNESO-CDYMVXOLSA-N
HMDB50974,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m0/s1",GDRBKDAHCFWLIK,WCTLPFELSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",GDRBKDAHCFWLIK-WCTLPFELSA-N
HMDB50975,1012.845891326,C67H112O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-/t64-/m0/s1",UOEHTYMVNPSNJK,MCVLWOJCSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UOEHTYMVNPSNJK-MCVLWOJCSA-N
HMDB50976,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h26,29,35,38,44,47,61H,4-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b29-26-,38-35-,47-44-/t61-/m1/s1",RYAUACKFYWJJEY,SZPOQHLJSA,N,"TG(20:3(5Z,8Z,11Z)/22:0/o-18:0)",RYAUACKFYWJJEY-SZPOQHLJSA-N
HMDB50977,1018.892841508,C67H118O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,38-39,41-42,47-48,50-51,64H,4-25,28,31-37,40,43-46,49,52-63H2,1-3H3/b29-26-,30-27-,41-38-,42-39-,50-47-,51-48-",XJWWGVXKPHNSTP,VCZPXJMVSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/20:3(5Z,8Z,11Z))",XJWWGVXKPHNSTP-VCZPXJMVSA-N
HMDB50978,1050.955441777,C69H126O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,40,43,49,52,66H,4-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b29-26-,30-27-,43-40-,52-49-/t66-/m0/s1",XNGSWUKXXIWQHI,SJPIQQGJSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/22:1(13Z))",XNGSWUKXXIWQHI-SJPIQQGJSA-N
HMDB50979,1078.986741906,C71H130O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,42,45,51,54,68H,4-24,26,29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b28-25-,30-27-,45-42-,54-51-/t68-/m0/s1",ZMCQQNWPWCVRBJ,BINHVFQGSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/24:1(15Z))",ZMCQQNWPWCVRBJ-BINHVFQGSA-N
HMDB50980,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36-37,40,46,49,62H,4-17,19-20,22-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b21-18-,29-26-,36-27-,40-37-,49-46-/t62-/m1/s1",BQCBMKYHSDBIBI,ZGHPNMMCSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/18:2(9Z,12Z))",BQCBMKYHSDBIBI-ZGHPNMMCSA-N
HMDB50981,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36-37,40,42,45-46,49,62H,4-17,19-20,22-25,28,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b21-18-,29-26-,36-27-,40-37-,45-42-,49-46-/t62-/m1/s1",PYHNSZYHGHYZIR,ASQXBMAXSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/18:3(6Z,9Z,12Z))",PYHNSZYHGHYZIR-ASQXBMAXSA-N
HMDB50982,1020.908491584,C67H120O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,39,42,48,51,64H,4-16,18-19,21-25,28,31-38,40-41,43-47,49-50,52-63H2,1-3H3/b20-17-,29-26-,30-27-,42-39-,51-48-/t64-/m1/s1",PRZDONNOIJLVSY,XEVMTCHRSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/20:2n6)",PRZDONNOIJLVSY-XEVMTCHRSA-N
HMDB50983,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,38-39,41-42,48,51,64H,4-16,18-19,21-25,28,31-37,40,43-47,49-50,52-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,42-39-,51-48-/t64-/m1/s1",YSAHJLCUTMOGDN,RYPMGKPFSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/20:3n6)",YSAHJLCUTMOGDN-RYPMGKPFSA-N
HMDB50984,1016.877191455,C67H116O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,38-39,41-42,47-48,50-51,64H,4-16,18-19,21-25,28,31-37,40,43-46,49,52-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-/t64-/m1/s1",CWUOIKAZWFXIIY,IYVCORKSSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/20:4(5Z,8Z,11Z,14Z))",CWUOIKAZWFXIIY-IYVCORKSSA-N
HMDB50985,1048.939791713,C69H124O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,40,43,49,52,66H,4-16,18-19,21-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,29-26-,30-27-,43-40-,52-49-/t66-/m0/s1",SZZQXUFFDAJTFR,BXVAWSOBSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/22:2(13Z,16Z))",SZZQXUFFDAJTFR-BXVAWSOBSA-N
HMDB50986,1044.908491584,C69H120O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-16,18-19,21-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-/t66-/m0/s1",DCIIDBWQOJMIJZ,OWNTVMOLSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/22:4(7Z,10Z,13Z,16Z))",DCIIDBWQOJMIJZ-OWNTVMOLSA-N
HMDB50987,1042.89284152,C69H118O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-16,18-19,21-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-/t66-/m0/s1",KDPWGSAUZUAWRF,NGZSEXSNSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",KDPWGSAUZUAWRF-NGZSEXSNSA-N
HMDB50988,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36-37,40,46,49,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,40-37-,49-46-/t62-/m1/s1",TUSLVYFREMYZMO,OSHADVIDSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/18:3(9Z,12Z,15Z))",TUSLVYFREMYZMO-OSHADVIDSA-N
HMDB50989,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36-37,40,42,45-46,49,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,40-37-,45-42-,49-46-/t62-/m1/s1",ZWOHJOHLMUWCSA,GIJYXAPBSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/18:4(6Z,9Z,12Z,15Z))",ZWOHJOHLMUWCSA-GIJYXAPBSA-N
HMDB50990,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,38-39,41-42,48,51,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,40,43-47,49-50,52-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,42-39-,51-48-/t64-/m1/s1",DORLMVSKZNGXIH,KZROMPBPSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/20:4(8Z,11Z,14Z,17Z))",DORLMVSKZNGXIH-KZROMPBPSA-N
HMDB50991,1014.861541391,C67H114O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,38-39,41-42,47-48,50-51,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,40,43-46,49,52-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-/t64-/m1/s1",ZXILTRJHCADBLP,MADJWGDKSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZXILTRJHCADBLP-MADJWGDKSA-N
HMDB50992,1042.89284152,C69H118O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-/t66-/m0/s1",ZCKNLMPSIWCCIP,KUUFKBETSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",ZCKNLMPSIWCCIP-KUUFKBETSA-N
HMDB50993,1040.877191455,C69H116O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-/t66-/m0/s1",AKMASGCJZZDXRJ,KFFVDBENSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AKMASGCJZZDXRJ-KFFVDBENSA-N
HMDB50994,982.929227028,C65H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h26,29,37,40,46,49,63H,4-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b29-26-,40-37-,49-46-/t63-/m1/s1",VQTWOJOSKWAYJQ,QIBCJVCNSA,N,"TG(20:3(5Z,8Z,11Z)/24:0/o-18:0)",VQTWOJOSKWAYJQ-QIBCJVCNSA-N
HMDB50995,876.720690804,C57H96O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,30-33,37-38,40-41,54H,4-14,16-17,19-23,28-29,34-36,39,42-53H2,1-3H3/b18-15-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-",MXUAJBCHEUHBCO,JLTTXCBPSA,N,"TG(20:3(5Z,8Z,11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))",MXUAJBCHEUHBCO-JLTTXCBPSA-N
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HMDB50997,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,34,36,41,44,58H,4-14,16-17,19-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b18-15-,26-24-,27-25-,36-34-,44-41-/t58-/m0/s1",ZJTXXIDBNQKXGR,KJCYOZJZSA,N,"TG(20:3(5Z,8Z,11Z)/14:1(9Z)/24:1(15Z))",ZJTXXIDBNQKXGR-KJCYOZJZSA-N
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HMDB51016,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29-30,33,38,41,54H,4-16,18-19,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m1/s1",RTNGBSBDRFHFRT,PBWNYENVSA,N,"TG(20:3(5Z,8Z,11Z)/16:1(9Z)/18:2(9Z,12Z))",RTNGBSBDRFHFRT-PBWNYENVSA-N
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HMDB51020,902.736340876,C59H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,39-40,42-43,56H,4-15,17-18,20,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-/t56-/m1/s1",XGVTZQBQTRNHAA,IEKHNBNQSA,N,"TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",XGVTZQBQTRNHAA-IEKHNBNQSA-N
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HMDB51022,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32-33,36-37,39,41,44,58H,4-15,17-18,20,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m0/s1",HATVLSAJFJTNNB,HNETZCCCSA,N,"TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",HATVLSAJFJTNNB-HNETZCCCSA-N
HMDB51023,928.75199094,C61H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-15,17-18,20,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m0/s1",VJICZDJBHWONKO,XUEWUMAZSA,N,"TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VJICZDJBHWONKO-XUEWUMAZSA-N
HMDB51024,876.720690811,C57H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,33,38,41,54H,4-7,9-10,12-16,18-19,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m1/s1",GEEXYZBGPWABCM,LUARIRANSA,N,"TG(20:3(5Z,8Z,11Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",GEEXYZBGPWABCM-LUARIRANSA-N
HMDB51025,874.705040747,C57H94O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,33-34,37-38,41,54H,4-7,9-10,12-16,18-19,22-23,28,31-32,35-36,39-40,42-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-,41-38-/t54-/m1/s1",XXKSGQVAAOVWSQ,JXYHDDOOSA,N,"TG(20:3(5Z,8Z,11Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",XXKSGQVAAOVWSQ-JXYHDDOOSA-N
HMDB51026,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31-32,34-35,40,43,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m1/s1",BHLJUMUSOAEWCE,QIUPGDHXSA,N,"TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",BHLJUMUSOAEWCE-QIUPGDHXSA-N
HMDB51027,900.720690811,C59H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31-32,34-35,39-40,42-43,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-/t56-/m1/s1",WJLTVCYAAPDLHN,BVBLATKGSA,N,"TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WJLTVCYAAPDLHN-BVBLATKGSA-N
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HMDB51029,926.736340876,C61H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m0/s1",WYNZVXLNPKRHQU,MIDNAJBZSA,N,"TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WYNZVXLNPKRHQU-MIDNAJBZSA-N
HMDB51030,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,38,41,55H,4-20,22-23,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b24-21-,27-25-,33-30-,41-38-/t55-/m1/s1",BUUOSXNVBINTDM,DIOVRTRQSA,N,"TG(20:3(5Z,8Z,11Z)/16:1(9Z)/o-18:0)",BUUOSXNVBINTDM-DIOVRTRQSA-N
HMDB51031,932.78329106,C61H104O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,33-36,41-42,44-45,58H,4-20,22-23,27,30-32,37-40,43,46-57H2,1-3H3/b24-21-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-",SRVGWWQBVGBYQD,QJQLVOPPSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:3(5Z,8Z,11Z))",SRVGWWQBVGBYQD-QJQLVOPPSA-N
HMDB51032,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,35,37,43,46,60H,4-20,22-23,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b24-21-,28-25-,29-26-,37-35-,46-43-/t60-/m0/s1",JIAJTOHVOZEPJW,WWJPPPJVSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:1(13Z))",JIAJTOHVOZEPJW-WWJPPPJVSA-N
HMDB51033,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,37,39,45,48,62H,4-20,22-23,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b24-21-,28-25-,29-26-,39-37-,48-45-/t62-/m0/s1",PFJRXOOGDCJEDR,WPZVOYAWSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/24:1(15Z))",PFJRXOOGDCJEDR-WPZVOYAWSA-N
HMDB51034,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,30,32,34,40,43,56H,4-16,18-19,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m1/s1",YEUXQYMIWYSWMT,AJWMTTJHSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:2(9Z,12Z))",YEUXQYMIWYSWMT-AJWMTTJHSA-N
HMDB51035,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,30,32,34,36,39-40,43,56H,4-16,18-19,22-23,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,34-32-,39-36-,43-40-/t56-/m1/s1",WXGIGIHHIGCDHM,CFDQPKIESA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))",WXGIGIHHIGCDHM-CFDQPKIESA-N
HMDB51036,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,34,36,42,45,58H,4-15,17-18,20,22-23,27,30-33,35,37-41,43-44,46-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,36-34-,45-42-/t58-/m1/s1",LTTOKLRRNCBSKD,XVJXDHPPSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:2n6)",LTTOKLRRNCBSKD-XVJXDHPPSA-N
HMDB51037,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33-36,42,45,58H,4-15,17-18,20,22-23,27,30-32,37-41,43-44,46-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-,36-34-,45-42-/t58-/m1/s1",KPGSXIULWKNZDN,JQSDDGKHSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:3n6)",KPGSXIULWKNZDN-JQSDDGKHSA-N
HMDB51038,930.767641004,C61H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33-36,41-42,44-45,58H,4-15,17-18,20,22-23,27,30-32,37-40,43,46-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-/t58-/m1/s1",CSVKCUPSYGTEDE,UWGVIQJCSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",CSVKCUPSYGTEDE-UWGVIQJCSA-N
HMDB51039,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,35,37,43,46,60H,4-15,17-18,20,22-23,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,37-35-,46-43-/t60-/m0/s1",XWBXEKHMDWEGSR,DTHGWXTRSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:2(13Z,16Z))",XWBXEKHMDWEGSR-DTHGWXTRSA-N
HMDB51040,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,35,37-38,41,43,46,60H,4-15,17-18,20,22-23,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-/t60-/m0/s1",VUABVSDTWKAGBK,IPLKSACCSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",VUABVSDTWKAGBK-IPLKSACCSA-N
HMDB51041,956.783291069,C63H104O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-15,17-18,20,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",SPIHSNCGRXGHRO,SMSDKZIZSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SPIHSNCGRXGHRO-SMSDKZIZSA-N
HMDB51042,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,30,32,34,40,43,56H,4-7,9-10,12-16,18-19,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m1/s1",KCTDIHGYMUAULO,VCRKEPEFSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",KCTDIHGYMUAULO-VCRKEPEFSA-N
HMDB51043,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,30,32,34,36,39-40,43,56H,4-7,9-10,12-16,18-19,22-23,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-,43-40-/t56-/m1/s1",WBEHIYGRMRNQTE,GMZOOPFESA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",WBEHIYGRMRNQTE-GMZOOPFESA-N
HMDB51044,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33-36,42,45,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-,36-34-,45-42-/t58-/m1/s1",AUJCKTSVVSCDJW,OHVXURTQSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",AUJCKTSVVSCDJW-OHVXURTQSA-N
HMDB51045,928.75199094,C61H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33-36,41-42,44-45,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-/t58-/m1/s1",ANPUEHYXIOALHJ,SKVAVQSOSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ANPUEHYXIOALHJ-SKVAVQSOSA-N
HMDB51046,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,35,37-38,41,43,46,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-/t60-/m0/s1",UYCTVQQBNMEKIQ,NFXPMROUSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UYCTVQQBNMEKIQ-NFXPMROUSA-N
HMDB51047,954.767641004,C63H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",YTJVEHDHQJQWGG,JWYHTXHQSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YTJVEHDHQJQWGG-JWYHTXHQSA-N
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HMDB51065,954.767641004,C63H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,17-18,20-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",WNTXQOREERQHJA,NECXREMISA,N,"TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WNTXQOREERQHJA-NECXREMISA-N
HMDB51066,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,27-28,31-32,34,40,43,57H,4-24,26,29-30,33,35-39,41-42,44-56H2,1-3H3/b28-25-,31-27-,34-32-,43-40-/t57-/m1/s1",JJHWOJZPZKQYIS,VQKRSOTNSA,N,"TG(20:3(5Z,8Z,11Z)/18:1(9Z)/o-18:0)",JJHWOJZPZKQYIS-VQKRSOTNSA-N
HMDB51067,960.814591188,C63H108O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,34-35,37-38,43-44,46-47,60H,4-24,31-33,36,39-42,45,48-59H2,1-3H3/b28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-",FKKKLFRODJERJA,KPRBPOKVSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:3(5Z,8Z,11Z))",FKKKLFRODJERJA-KPRBPOKVSA-N
HMDB51068,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-30,36,39,45,48,62H,4-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m0/s1",VIXSGBCKHHZFNE,SNUWOQKDSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:1(13Z))",VIXSGBCKHHZFNE-SNUWOQKDSA-N
HMDB51069,1020.908491584,C67H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-30,38,41,47,50,64H,4-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m0/s1",GIGANABPRHDXLI,ABAGBBLQSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/24:1(15Z))",GIGANABPRHDXLI-ABAGBBLQSA-N
HMDB51070,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32-33,36,42,45,58H,4-17,19-20,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m1/s1",FAOQPBHZFIONKO,FSCRFXDBSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/18:2(9Z,12Z))",FAOQPBHZFIONKO-FSCRFXDBSA-N
HMDB51071,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32-33,36,38,41-42,45,58H,4-17,19-20,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-/t58-/m1/s1",RTWLKALMXNXBGC,FFIBVHGWSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/18:3(6Z,9Z,12Z))",RTWLKALMXNXBGC-FFIBVHGWSA-N
HMDB51072,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,35,38,44,47,60H,4-15,17-18,20-24,31-34,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,38-35-,47-44-/t60-/m1/s1",KHTCDNIANMRTHD,CBFJKXGMSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:2n6)",KHTCDNIANMRTHD-CBFJKXGMSA-N
HMDB51073,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34-35,37-38,44,47,60H,4-15,17-18,20-24,31-33,36,39-43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,38-35-,47-44-/t60-/m1/s1",YJJBYKUSAFNLFZ,MHKQSEEJSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:3n6)",YJJBYKUSAFNLFZ-MHKQSEEJSA-N
HMDB51074,958.798941133,C63H106O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34-35,37-38,43-44,46-47,60H,4-15,17-18,20-24,31-33,36,39-42,45,48-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-/t60-/m1/s1",FNVXDAXZGGBYJV,FAKGREKGSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",FNVXDAXZGGBYJV-FAKGREKGSA-N
HMDB51075,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,36,39,45,48,62H,4-15,17-18,20-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m0/s1",XJLYINYTAOBLTM,HPVPZJLTSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:2(13Z,16Z))",XJLYINYTAOBLTM-HPVPZJLTSA-N
HMDB51076,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35-36,39-40,43,45,48,62H,4-15,17-18,20-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-/t62-/m0/s1",QTRXFCADXJTOMA,DYCDWPFKSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",QTRXFCADXJTOMA-DYCDWPFKSA-N
HMDB51077,984.814591198,C65H108O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35-36,39-40,43,45,48-49,52,62H,4-15,17-18,20-24,31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-,52-49-/t62-/m0/s1",PTQLNFLUEGTTLK,CLZBXNBXSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PTQLNFLUEGTTLK-CLZBXNBXSA-N
HMDB51078,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-33,36,42,45,58H,4-8,10-11,13-17,19-20,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m1/s1",CVJWDGXRZJHDQD,QHUQJGGVSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",CVJWDGXRZJHDQD-QHUQJGGVSA-N
HMDB51079,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-33,36,38,41-42,45,58H,4-8,10-11,13-17,19-20,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-/t58-/m1/s1",GOIBBLJCOCUKNQ,SONPUIGOSA,N,"TG(20:3(5Z,8Z,11Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",GOIBBLJCOCUKNQ-SONPUIGOSA-N
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HMDB51114,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34-35,38,44,47,60H,4-8,10-11,13-17,19-20,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m1/s1",ZFRRTOAOVLBLTD,POQGVBGWSA,N,"TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",ZFRRTOAOVLBLTD-POQGVBGWSA-N
HMDB51115,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34-35,38,40,43-44,47,60H,4-8,10-11,13-17,19-20,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-/t60-/m1/s1",LKEFQOSBUFGTFE,KBLHDZGZSA,N,"TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",LKEFQOSBUFGTFE-KBLHDZGZSA-N
HMDB51116,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36-37,39-40,46,49,62H,4-7,9-10,12-16,18-19,21-24,31-35,38,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,49-46-/t62-/m1/s1",BWQZZBDTJWNZTC,SGTLPEOGSA,N,"TG(20:3(5Z,8Z,11Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",BWQZZBDTJWNZTC-SGTLPEOGSA-N
HMDB51117,984.814591198,C65H108O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36-37,39-40,45-46,48-49,62H,4-7,9-10,12-16,18-19,21-24,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-/t62-/m1/s1",YQCSYSZGLHERGH,HUTXLJFQSA,N,"TG(20:3(5Z,8Z,11Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YQCSYSZGLHERGH-HUTXLJFQSA-N
HMDB51118,1012.845891326,C67H112O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,38,41-42,45,47,50,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m0/s1",VMSVNISNVLBKLY,ITHLUVQNSA,N,"TG(20:3(5Z,8Z,11Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VMSVNISNVLBKLY-ITHLUVQNSA-N
HMDB51119,1010.830241262,C67H110O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-/t64-/m0/s1",QFNFWECDSLZJNC,PWFNPZTQSA,N,"TG(20:3(5Z,8Z,11Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QFNFWECDSLZJNC-PWFNPZTQSA-N
HMDB51120,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,35,38,44,47,61H,4-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b28-25-,29-26-,38-35-,47-44-/t61-/m1/s1",ZWNLCOBYNICJOK,GKEXURIISA,N,"TG(20:3(5Z,8Z,11Z)/22:1(13Z)/o-18:0)",ZWNLCOBYNICJOK-GKEXURIISA-N
HMDB51121,1016.877191444,C67H116O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25-30,38-39,41-42,47-48,50-51,64H,4-24,31-37,40,43-46,49,52-63H2,1-3H3/b28-25-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-",IWXADANUINMJPG,FZWYEBDTSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:3(5Z,8Z,11Z))",IWXADANUINMJPG-FZWYEBDTSA-N
HMDB51122,1048.939791713,C69H124O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,40,43,49,52,66H,4-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b28-25-,29-26-,30-27-,43-40-,52-49-/t66-/m0/s1",MYBDJHZSBBHITL,QPIHQOGWSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:1(13Z))",MYBDJHZSBBHITL-QPIHQOGWSA-N
HMDB51123,1076.971091842,C71H128O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,42,45,51,54,68H,4-24,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b28-25-,29-26-,30-27-,45-42-,54-51-/t68-/m0/s1",GMPVBRIFOXHKPI,BKQMJMNKSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/24:1(15Z))",GMPVBRIFOXHKPI-BKQMJMNKSA-N
HMDB51124,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36-37,40,46,49,62H,4-17,19-20,22-24,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,40-37-,49-46-/t62-/m1/s1",IMPZZOICOQDJBE,UBWOWJCKSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/18:2(9Z,12Z))",IMPZZOICOQDJBE-UBWOWJCKSA-N
HMDB51125,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36-37,40,42,45-46,49,62H,4-17,19-20,22-24,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,40-37-,45-42-,49-46-/t62-/m1/s1",ZIWAPWFZGIOXGN,VYWJSOOUSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/18:3(6Z,9Z,12Z))",ZIWAPWFZGIOXGN-VYWJSOOUSA-N
HMDB51126,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,39,42,48,51,64H,4-16,18-19,21-24,31-38,40-41,43-47,49-50,52-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,42-39-,51-48-/t64-/m1/s1",IKRWQPAMIBXFCC,IJZHMIBESA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:2n6)",IKRWQPAMIBXFCC-IJZHMIBESA-N
HMDB51127,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,38-39,41-42,48,51,64H,4-16,18-19,21-24,31-37,40,43-47,49-50,52-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,42-39-,51-48-/t64-/m1/s1",ODCOAIAJSRXCTB,BYZAYUELSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:3n6)",ODCOAIAJSRXCTB-BYZAYUELSA-N
HMDB51128,1014.861541391,C67H114O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,38-39,41-42,47-48,50-51,64H,4-16,18-19,21-24,31-37,40,43-46,49,52-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-/t64-/m1/s1",UBIUYTRUJQSSLJ,VFCIEIEESA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",UBIUYTRUJQSSLJ-VFCIEIEESA-N
HMDB51129,1046.924141648,C69H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,40,43,49,52,66H,4-16,18-19,21-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,43-40-,52-49-/t66-/m0/s1",YJIBTVXWMAYXRP,IGFQIHNZSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:2(13Z,16Z))",YJIBTVXWMAYXRP-IGFQIHNZSA-N
HMDB51130,1042.89284152,C69H118O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,40,43-44,47,49,52,66H,4-16,18-19,21-24,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-/t66-/m0/s1",UFVAUMKJHCPSPK,PNTZJPLGSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",UFVAUMKJHCPSPK-PNTZJPLGSA-N
HMDB51131,1040.877191455,C69H116O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,40,43-44,47,49,52-53,56,66H,4-16,18-19,21-24,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-/t66-/m0/s1",CKABUXLZSRQNMU,DHWZZPLPSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CKABUXLZSRQNMU-DHWZZPLPSA-N
HMDB51132,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36-37,40,46,49,62H,4-8,10-11,13-17,19-20,22-24,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,40-37-,49-46-/t62-/m1/s1",OYQKMCUDTSCHIR,WJSTWGRPSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",OYQKMCUDTSCHIR-WJSTWGRPSA-N
HMDB51133,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36-37,40,42,45-46,49,62H,4-8,10-11,13-17,19-20,22-24,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-,49-46-/t62-/m1/s1",OCTRJEPQRJHSPI,GJXPIAFVSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",OCTRJEPQRJHSPI-GJXPIAFVSA-N
HMDB51134,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,38-39,41-42,48,51,64H,4-7,9-10,12-16,18-19,21-24,31-37,40,43-47,49-50,52-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-,42-39-,51-48-/t64-/m1/s1",ADSFTSYKKQAKSX,BYKLTBOVSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",ADSFTSYKKQAKSX-BYKLTBOVSA-N
HMDB51135,1012.845891326,C67H112O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,38-39,41-42,47-48,50-51,64H,4-7,9-10,12-16,18-19,21-24,31-37,40,43-46,49,52-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-/t64-/m1/s1",JVDIXYDDOMTUPH,VMQQTIRQSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JVDIXYDDOMTUPH-VMQQTIRQSA-N
HMDB51136,1040.877191455,C69H116O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,40,43-44,47,49,52,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-/t66-/m0/s1",WJSRZLZPYVWICR,CNSXIWICSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WJSRZLZPYVWICR-CNSXIWICSA-N
HMDB51137,1038.861541391,C69H114O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,40,43-44,47,49,52-53,56,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-/t66-/m0/s1",VWHUQJJUXNGULY,YYHKLTRPSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VWHUQJJUXNGULY-YYHKLTRPSA-N
HMDB51138,980.913576964,C65H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,37,40,46,49,63H,4-24,27,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b28-25-,29-26-,40-37-,49-46-/t63-/m1/s1",XZKASEVSSRHUQJ,GOFFQLQXSA,N,"TG(20:3(5Z,8Z,11Z)/24:1(15Z)/o-18:0)",XZKASEVSSRHUQJ-GOFFQLQXSA-N
HMDB51139,930.767641004,C61H102O6,[H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32-36,41-42,44-45,58H,4-17,19-20,22-24,30-31,37-40,43,46-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-",VTDYIBQJOGDAJI,AZBXOIOCSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",VTDYIBQJOGDAJI-AZBXOIOCSA-N
HMDB51140,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34-35,37,43,46,60H,4-17,19-20,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m0/s1",FFVISGZUNRMRSS,GBRJBTATSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:1(13Z))",FFVISGZUNRMRSS-GBRJBTATSA-N
HMDB51141,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36-37,39,45,48,62H,4-17,19-20,22-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,39-37-,48-45-/t62-/m0/s1",WSSVDDLEHVXJNP,QJZJUZNBSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/24:1(15Z))",WSSVDDLEHVXJNP-QJZJUZNBSA-N
HMDB51142,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-32,34,40,43,56H,4-16,19,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1",DCOHAZGTGSPPGG,RDWOVDHISA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",DCOHAZGTGSPPGG-RDWOVDHISA-N
HMDB51143,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-32,34,36,39-40,43,56H,4-16,19,22-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-/t56-/m1/s1",BIDXVDRSXXPZQT,CCFZVQPWSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",BIDXVDRSXXPZQT-CCFZVQPWSA-N
HMDB51144,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,42,45,58H,4-15,17,20,22-24,30-31,33,35,37-41,43-44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,36-34-,45-42-/t58-/m1/s1",STEXMSRZRXNGCG,IHODSGDMSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:2n6)",STEXMSRZRXNGCG-IHODSGDMSA-N
HMDB51145,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-36,42,45,58H,4-15,17,20,22-24,30-31,37-41,43-44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,45-42-/t58-/m1/s1",YQCHRNLKAXRHTM,OKUMYMDJSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:3n6)",YQCHRNLKAXRHTM-OKUMYMDJSA-N
HMDB51146,928.75199094,C61H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-36,41-42,44-45,58H,4-15,17,20,22-24,30-31,37-40,43,46-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-/t58-/m1/s1",NZYYHYBFGOKCNS,IELZEMFJSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",NZYYHYBFGOKCNS-IELZEMFJSA-N
HMDB51147,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34-35,37,43,46,60H,4-15,17,20,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m0/s1",HUXWODVWMABSNB,NOXIWDRCSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:2(13Z,16Z))",HUXWODVWMABSNB-NOXIWDRCSA-N
HMDB51148,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-35,37-38,41,43,46,60H,4-15,17,20,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m0/s1",KIJAVMZBMCLIEW,OGMVDTFRSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",KIJAVMZBMCLIEW-OGMVDTFRSA-N
HMDB51149,954.767641004,C63H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-15,17,20,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",QCIVLXQVYGLERQ,YSISNIMRSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QCIVLXQVYGLERQ-YSISNIMRSA-N
HMDB51150,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,30-32,34,40,43,56H,4-7,9-10,12-16,19,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1",FIKXCWBVWFJWJY,MTKVZKBKSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",FIKXCWBVWFJWJY-MTKVZKBKSA-N
HMDB51151,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,30-32,34,36,39-40,43,56H,4-7,9-10,12-16,19,22-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-/t56-/m1/s1",HNCSGYNWTZTAKF,KDYXFAGWSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",HNCSGYNWTZTAKF-KDYXFAGWSA-N
HMDB51152,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-36,42,45,58H,4-6,8-9,11-15,17,20,22-24,30-31,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,45-42-/t58-/m1/s1",SYGNYTDKBAXIKP,VEUVJIDBSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",SYGNYTDKBAXIKP-VEUVJIDBSA-N
HMDB51153,926.736340876,C61H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-36,41-42,44-45,58H,4-6,8-9,11-15,17,20,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-/t58-/m1/s1",GPCJQHWBPGCBHJ,SSKVWLDOSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",GPCJQHWBPGCBHJ-SSKVWLDOSA-N
HMDB51154,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-35,37-38,41,43,46,60H,4-6,8-9,11-15,17,20,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m0/s1",SVBUNVHEBALJFL,MUVWSPMXSA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SVBUNVHEBALJFL-MUVWSPMXSA-N
HMDB51155,952.75199094,C63H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,17,20,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",LTMMYRYQSSNANI,GUDQXNRESA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LTMMYRYQSSNANI-GUDQXNRESA-N
HMDB51156,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31-32,34,40,43,57H,4-17,19-20,22-24,26,29-30,33,35-39,41-42,44-56H2,1-3H3/b21-18-,28-25-,31-27-,34-32-,43-40-/t57-/m1/s1",FVNZGUFFEWSOBE,BARXPKSISA,N,"TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/o-18:0)",FVNZGUFFEWSOBE-BARXPKSISA-N
HMDB51157,928.751990932,C61H100O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32-36,40-45,58H,4-17,19-20,22-24,30-31,37-39,46-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-",BYZFZZVSFNRFIS,QNBFLUIQSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",BYZFZZVSFNRFIS-QNBFLUIQSA-N
HMDB51158,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34-35,37,42-43,45-46,60H,4-17,19-20,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m0/s1",UAYYEFJRKNFBBM,LZSOLNGCSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:1(13Z))",UAYYEFJRKNFBBM-LZSOLNGCSA-N
HMDB51159,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36-37,39,44-45,47-48,62H,4-17,19-20,22-24,30-35,38,40-43,46,49-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,39-37-,47-44-,48-45-/t62-/m0/s1",XUFTZNDRDHGXDD,QJDZXUEHSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/24:1(15Z))",XUFTZNDRDHGXDD-QJDZXUEHSA-N
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HMDB51166,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-35,37-38,41-43,45-46,60H,4-15,17,20,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-/t60-/m0/s1",IIFYGJBPANGSOD,MNKQRYLNSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",IIFYGJBPANGSOD-MNKQRYLNSA-N
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HMDB51171,924.720690811,C61H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-36,40-45,58H,4-6,8-9,11-15,17,20,22-24,30-31,37-39,46-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-/t58-/m1/s1",XMVHZFQXXQHPFZ,WRDFVJMZSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XMVHZFQXXQHPFZ-WRDFVJMZSA-N
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HMDB51173,950.736340876,C63H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-6,8-9,11-15,17,20,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-/t60-/m0/s1",PJHRQTLFCTXZMT,HIQSATHNSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PJHRQTLFCTXZMT-HIQSATHNSA-N
HMDB51174,892.788376449,C59H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31-32,34,38,40-41,43,57H,4-17,19-20,22-24,26,29-30,33,35-37,39,42,44-56H2,1-3H3/b21-18-,28-25-,31-27-,34-32-,41-38-,43-40-/t57-/m1/s1",ZWTYJVHIPQLXKW,LSJFFTETSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/o-18:0)",ZWTYJVHIPQLXKW-LSJFFTETSA-N
HMDB51175,958.798941133,C63H106O6,[H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,34-35,37-38,43-44,46-47,60H,4-17,19-20,22-24,31-33,36,39-42,45,48-59H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-",CFDDNXGICWHOFE,GDGOABOLSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/20:3(5Z,8Z,11Z))",CFDDNXGICWHOFE-GDGOABOLSA-N
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HMDB51177,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,41,47,50,64H,4-17,19-20,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m0/s1",RWYPACZTVBMQSS,KLRVQGCHSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/24:1(15Z))",RWYPACZTVBMQSS-KLRVQGCHSA-N
HMDB51178,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,32-33,36,42,45,58H,4-16,19,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m1/s1",XTWABCMZTSJTEZ,TWNMUWQESA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/18:2(9Z,12Z))",XTWABCMZTSJTEZ-TWNMUWQESA-N
HMDB51179,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,32-33,36,38,41-42,45,58H,4-16,19,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-/t58-/m1/s1",IOEDLYTYYGNSAB,RIUMMYIUSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/18:3(6Z,9Z,12Z))",IOEDLYTYYGNSAB-RIUMMYIUSA-N
HMDB51180,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,35,38,44,47,60H,4-15,17,20,22-24,31-34,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,38-35-,47-44-/t60-/m1/s1",NBDDTARVOZPDET,SJBNDSCLSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/20:2n6)",NBDDTARVOZPDET-SJBNDSCLSA-N
HMDB51181,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34-35,37-38,44,47,60H,4-15,17,20,22-24,31-33,36,39-43,45-46,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,47-44-/t60-/m1/s1",QJHAAKMJLURPNY,ROWHQPMDSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/20:3n6)",QJHAAKMJLURPNY-ROWHQPMDSA-N
HMDB51182,956.783291069,C63H104O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34-35,37-38,43-44,46-47,60H,4-15,17,20,22-24,31-33,36,39-42,45,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-/t60-/m1/s1",AWUSALQTKNQHQD,NULDZOPGSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))",AWUSALQTKNQHQD-NULDZOPGSA-N
HMDB51183,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,36,39,45,48,62H,4-15,17,20,22-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m0/s1",KRYVMQCODWLIAZ,JOEAJKJGSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/22:2(13Z,16Z))",KRYVMQCODWLIAZ-JOEAJKJGSA-N
HMDB51184,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35-36,39-40,43,45,48,62H,4-15,17,20,22-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-/t62-/m0/s1",IBKCWMBMYOEULU,COJOVSIISA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))",IBKCWMBMYOEULU-COJOVSIISA-N
HMDB51185,982.798941133,C65H106O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35-36,39-40,43,45,48-49,52,62H,4-15,17,20,22-24,31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-,52-49-/t62-/m0/s1",ULMGMLOLZCNHPI,XQWQUENCSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",ULMGMLOLZCNHPI-XQWQUENCSA-N
HMDB51186,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32-33,36,42,45,58H,4-8,10-11,13-16,19,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m1/s1",ZXUCPAOAIGHPRV,ACFDTBASSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/18:3(9Z,12Z,15Z))",ZXUCPAOAIGHPRV-ACFDTBASSA-N
HMDB51187,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32-33,36,38,41-42,45,58H,4-8,10-11,13-16,19,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-/t58-/m1/s1",RZSFEMDXQBTLRF,LNTDCEBXSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))",RZSFEMDXQBTLRF-LNTDCEBXSA-N
HMDB51188,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34-35,37-38,44,47,60H,4-6,8-9,11-15,17,20,22-24,31-33,36,39-43,45-46,48-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,47-44-/t60-/m1/s1",XPPOOLOXNKODLX,CRPDYVFHSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))",XPPOOLOXNKODLX-CRPDYVFHSA-N
HMDB51189,954.767641004,C63H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34-35,37-38,43-44,46-47,60H,4-6,8-9,11-15,17,20,22-24,31-33,36,39-42,45,48-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-/t60-/m1/s1",UNYSRSKHDZXMCA,ROKUWRIPSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",UNYSRSKHDZXMCA-ROKUWRIPSA-N
HMDB51190,982.798941133,C65H106O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35-36,39-40,43,45,48,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-/t62-/m0/s1",UTZFIVXMTRDJLT,HKLPFLMMSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",UTZFIVXMTRDJLT-HKLPFLMMSA-N
HMDB51191,980.783291069,C65H104O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35-36,39-40,43,45,48-49,52,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-,52-49-/t62-/m0/s1",BAVCCPMFLDZBDC,ZRTIMQPASA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BAVCCPMFLDZBDC-ZRTIMQPASA-N
HMDB51192,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33,36,42,45,59H,4-16,18-19,21-24,27,30-32,34-35,37-41,43-44,46-58H2,1-3H3/b20-17-,28-25-,29-26-,36-33-,45-42-/t59-/m1/s1",HHWUNZVTBOSFRH,RCXXNRITSA,N,"TG(20:3(5Z,8Z,11Z)/20:2n6/o-18:0)",HHWUNZVTBOSFRH-RCXXNRITSA-N
HMDB51193,956.78329106,C63H104O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,34-39,43-44,46-47,60H,4-17,19-20,22-24,31-33,40-42,45,48-59H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-",NTEFIKMFLCQZKQ,UYQFGAEOSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/20:3(5Z,8Z,11Z))",NTEFIKMFLCQZKQ-UYQFGAEOSA-N
HMDB51194,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,36,38-39,41,45,48,62H,4-17,19-20,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m0/s1",JJBUAVHSFDUNNM,JZLJFEDASA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/22:1(13Z))",JJBUAVHSFDUNNM-JZLJFEDASA-N
HMDB51195,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,40-41,43,47,50,64H,4-17,19-20,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-/t64-/m0/s1",DOQAKEPRROURKA,CYGYBDLTSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/24:1(15Z))",DOQAKEPRROURKA-CYGYBDLTSA-N
HMDB51196,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,32-34,36-37,42,45,58H,4-16,19,22-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-/t58-/m1/s1",WFKTYBJAEBSDJD,BJTXAKEJSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/18:2(9Z,12Z))",WFKTYBJAEBSDJD-BJTXAKEJSA-N
HMDB51197,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,32-34,36-38,41-42,45,58H,4-16,19,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-/t58-/m1/s1",NDTJNRXYWWUSEV,RPVWBYKTSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/18:3(6Z,9Z,12Z))",NDTJNRXYWWUSEV-RPVWBYKTSA-N
HMDB51198,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,35-36,38-39,44,47,60H,4-15,17,20,22-24,31-34,37,40-43,45-46,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,38-35-,39-36-,47-44-/t60-/m1/s1",JHWBUXSCSIHAAE,DXVQZZMDSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/20:2n6)",JHWBUXSCSIHAAE-DXVQZZMDSA-N
HMDB51199,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34-39,44,47,60H,4-15,17,20,22-24,31-33,40-43,45-46,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-/t60-/m1/s1",XJKUBRHQRPUPNX,CSVKIEHWSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/20:3n6)",XJKUBRHQRPUPNX-CSVKIEHWSA-N
HMDB51200,954.767641004,C63H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34-39,43-44,46-47,60H,4-15,17,20,22-24,31-33,40-42,45,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-/t60-/m1/s1",ORFNHODRKLEDIY,NBEMNRAFSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))",ORFNHODRKLEDIY-NBEMNRAFSA-N
HMDB51201,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,36,38-39,41,45,48,62H,4-15,17,20,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m0/s1",GAQVUSOHLGLUDT,NFKBUSRLSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/22:2(13Z,16Z))",GAQVUSOHLGLUDT-NFKBUSRLSA-N
HMDB51202,982.798941133,C65H106O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35-36,38-41,43,45,48,62H,4-15,17,20,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-/t62-/m0/s1",MACPSMIPGHQULG,NXAFBZKYSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))",MACPSMIPGHQULG-NXAFBZKYSA-N
HMDB51203,980.783291069,C65H104O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-15,17,20,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-/t62-/m0/s1",BWOCMKYCXIXQRR,OJZPLIJPSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",BWOCMKYCXIXQRR-OJZPLIJPSA-N
HMDB51204,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32-34,36-37,42,45,58H,4-8,10-11,13-16,19,22-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-/t58-/m1/s1",JAXNPTQSJXPVNR,WJDFJJAISA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/18:3(9Z,12Z,15Z))",JAXNPTQSJXPVNR-WJDFJJAISA-N
HMDB51205,926.736340876,C61H98O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32-34,36-38,41-42,45,58H,4-8,10-11,13-16,19,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-/t58-/m1/s1",XGDXVNIZYMJLFZ,SALRZLIVSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))",XGDXVNIZYMJLFZ-SALRZLIVSA-N
HMDB51206,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34-39,44,47,60H,4-6,8-9,11-15,17,20,22-24,31-33,40-43,45-46,48-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-/t60-/m1/s1",IGBVZUBJFIUKFA,RAIBINDCSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))",IGBVZUBJFIUKFA-RAIBINDCSA-N
HMDB51207,952.75199094,C63H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34-39,43-44,46-47,60H,4-6,8-9,11-15,17,20,22-24,31-33,40-42,45,48-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-/t60-/m1/s1",CBLVLYIBWALOEM,DCLXTXTESA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",CBLVLYIBWALOEM-DCLXTXTESA-N
HMDB51208,980.783291069,C65H104O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35-36,38-41,43,45,48,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-/t62-/m0/s1",FCVBQNIGVMCKAH,LKPKZLGUSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",FCVBQNIGVMCKAH-LKPKZLGUSA-N
HMDB51209,978.767641004,C65H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-/t62-/m0/s1",UITJRAHHHRPZTP,KRQZJFPASA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UITJRAHHHRPZTP-KRQZJFPASA-N
HMDB51210,920.819676578,C61H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33-34,36-37,42,45,59H,4-16,18-19,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b20-17-,28-25-,29-26-,36-33-,37-34-,45-42-/t59-/m1/s1",MVJJXRGTJGXYCP,LQISBIRFSA,N,"TG(20:3(5Z,8Z,11Z)/20:3n6/o-18:0)",MVJJXRGTJGXYCP-LQISBIRFSA-N
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HMDB51212,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,36,38-39,41,45,47-48,50,62H,4-17,19-20,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m0/s1",PLFSJFVKZOVKIJ,UQKJHKRBSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",PLFSJFVKZOVKIJ-UQKJHKRBSA-N
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HMDB51215,926.736340876,C61H98O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,32-34,36-38,41-43,45-46,58H,4-16,19,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-/t58-/m1/s1",GCBBRDLYCWJHIH,ANENWQFRSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",GCBBRDLYCWJHIH-ANENWQFRSA-N
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HMDB51217,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34-39,44-45,47-48,60H,4-15,17,20,22-24,31-33,40-43,46,49-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-,48-45-/t60-/m1/s1",DLVBEOBLMNLHJH,KBVPYHOBSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)",DLVBEOBLMNLHJH-KBVPYHOBSA-N
HMDB51218,952.75199094,C63H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34-39,43-48,60H,4-15,17,20,22-24,31-33,40-42,49-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-/t60-/m1/s1",MXSSKIVWHBHDLS,WLDSEDHASA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",MXSSKIVWHBHDLS-WLDSEDHASA-N
HMDB51219,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,36,38-39,41,45,47-48,50,62H,4-15,17,20,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m0/s1",LGBANPMHDMZOEX,GVKIJOCXSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",LGBANPMHDMZOEX-GVKIJOCXSA-N
HMDB51220,980.783291069,C65H104O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-15,17,20,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-/t62-/m0/s1",QVOYWQYGRGLLAY,REOKHHNISA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",QVOYWQYGRGLLAY-REOKHHNISA-N
HMDB51221,978.767641004,C65H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-15,17,20,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-/t62-/m0/s1",JEYAIOVCJUFECT,VRVABZEDSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JEYAIOVCJUFECT-VRVABZEDSA-N
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HMDB51224,952.75199094,C63H100O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34-39,44-45,47-48,60H,4-6,8-9,11-15,17,20,22-24,31-33,40-43,46,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-,48-45-/t60-/m1/s1",PTQQCZRZVMTOPI,XZWLWHDJSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",PTQQCZRZVMTOPI-XZWLWHDJSA-N
HMDB51225,950.736340876,C63H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34-39,43-48,60H,4-6,8-9,11-15,17,20,22-24,31-33,40-42,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-/t60-/m1/s1",RUGCWDDOUIHHMY,AMEBUEPNSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RUGCWDDOUIHHMY-AMEBUEPNSA-N
HMDB51226,978.767641004,C65H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-/t62-/m0/s1",KSQBRKREYMTJTD,OTLZCYCTSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KSQBRKREYMTJTD-OTLZCYCTSA-N
HMDB51227,976.75199094,C65H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-/t62-/m0/s1",GVAIQYMZMOVIIO,QUZFHRACSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GVAIQYMZMOVIIO-QUZFHRACSA-N
HMDB51228,918.804026513,C61H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-16,18-19,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t59-/m1/s1",SFNSUUFNZREQDL,UGHWQFODSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)",SFNSUUFNZREQDL-UGHWQFODSA-N
HMDB51229,986.830241252,C65H110O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,36-37,39-40,45-46,48-49,62H,4-15,17-18,20-24,31-35,38,41-44,47,50-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-",AVYRQEHXCKYKLV,LXKKTIHDSA,N,"TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",AVYRQEHXCKYKLV-LXKKTIHDSA-N
HMDB51230,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,38,41,47,50,64H,4-16,18-19,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m0/s1",FKXBKXQTXZZCPM,MVJJHXCGSA,N,"TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:1(13Z))",FKXBKXQTXZZCPM-MVJJHXCGSA-N
HMDB51231,1046.924141648,C69H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,40,43,49,52,66H,4-16,18-19,21-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,43-40-,52-49-/t66-/m0/s1",IQQCBHOQFSLQEV,IGFQIHNZSA,N,"TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/24:1(15Z))",IQQCBHOQFSLQEV-IGFQIHNZSA-N
HMDB51232,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34-35,38,44,47,60H,4-15,17,20,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m1/s1",ZYIHRAMVENWCHU,HRVWGVLYSA,N,"TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/18:2(9Z,12Z))",ZYIHRAMVENWCHU-HRVWGVLYSA-N
HMDB51233,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34-35,38,40,43-44,47,60H,4-15,17,20,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-/t60-/m1/s1",GAOSCGSBKHEEEX,ABJDQFALSA,N,"TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",GAOSCGSBKHEEEX-ABJDQFALSA-N
HMDB51234,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,37,40,46,49,62H,4-15,18,21-24,31-36,38-39,41-45,47-48,50-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,40-37-,49-46-/t62-/m1/s1",PLTQJWHPYIPUDE,AYENVRMCSA,N,"TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:2n6)",PLTQJWHPYIPUDE-AYENVRMCSA-N
HMDB51235,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,36-37,39-40,46,49,62H,4-15,18,21-24,31-35,38,41-45,47-48,50-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,49-46-/t62-/m1/s1",RDQGSABWLGIXJJ,BMZGPSFLSA,N,"TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:3n6)",RDQGSABWLGIXJJ-BMZGPSFLSA-N
HMDB51236,984.814591198,C65H108O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,36-37,39-40,45-46,48-49,62H,4-15,18,21-24,31-35,38,41-44,47,50-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-/t62-/m1/s1",HCONDECXVMTVKA,NRRJOULWSA,N,"TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",HCONDECXVMTVKA-NRRJOULWSA-N
HMDB51237,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,38,41,47,50,64H,4-15,18,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m0/s1",GYASRFYMRDAWQW,VXUWSWIZSA,N,"TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:2(13Z,16Z))",GYASRFYMRDAWQW-VXUWSWIZSA-N
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HMDB51283,928.751990932,C61H100O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-36,41-42,44-45,58H,4-8,10-11,13-17,19-20,22-24,30-31,37-40,43,46-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-",MYDICZYSTHZNJF,IJKODDBKSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",MYDICZYSTHZNJF-IJKODDBKSA-N
HMDB51284,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34-35,37,43,46,60H,4-8,10-11,13-17,19-20,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m0/s1",KKIMUEZBTJDWSR,LFTAQWINSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:1(13Z))",KKIMUEZBTJDWSR-LFTAQWINSA-N
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HMDB51286,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-32,34,40,43,56H,4-8,10-11,13-16,19,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1",AINRFIBXBGAALL,MDDVOTBNSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",AINRFIBXBGAALL-MDDVOTBNSA-N
HMDB51287,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-32,34,36,39-40,43,56H,4-8,10-11,13-16,19,22-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-/t56-/m1/s1",ZTULNDCILAYJFW,HZKKIYJWSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",ZTULNDCILAYJFW-HZKKIYJWSA-N
HMDB51288,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,42,45,58H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-41,43-44,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-34-,45-42-/t58-/m1/s1",DOODDBJAGKWXDQ,ANJREGHNSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:2n6)",DOODDBJAGKWXDQ-ANJREGHNSA-N
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HMDB51291,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34-35,37,43,46,60H,4-8,10-11,13-15,17,20,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m0/s1",XJAXPYSHJDNMEP,NYAMYBFJSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",XJAXPYSHJDNMEP-NYAMYBFJSA-N
HMDB51292,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-35,37-38,41,43,46,60H,4-8,10-11,13-15,17,20,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m0/s1",BBCQOGPWLGKYNO,VZSMLXPPSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",BBCQOGPWLGKYNO-VZSMLXPPSA-N
HMDB51293,952.75199094,C63H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-8,10-11,13-15,17,20,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",RFOJMNHTTGBKCU,VBIRSMDSSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RFOJMNHTTGBKCU-VBIRSMDSSA-N
HMDB51294,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-32,34,40,43,56H,4-7,10,13-16,19,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1",AODBUYLODSYPEX,GQNPSQJGSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",AODBUYLODSYPEX-GQNPSQJGSA-N
HMDB51295,898.705040747,C59H94O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-32,34,36,39-40,43,56H,4-7,10,13-16,19,22-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-/t56-/m1/s1",WUPUJLFEIZXCEZ,BKDRMKQLSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",WUPUJLFEIZXCEZ-BKDRMKQLSA-N
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HMDB51298,952.75199094,C63H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,37-38,41,43,46,60H,4-6,8,11,13-15,17,20,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m0/s1",ATIWAHXGZHCXGG,DYGNEVMASA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ATIWAHXGZHCXGG-DYGNEVMASA-N
HMDB51299,950.736340876,C63H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",ANPODIOJCHTRPS,HPSRTLAISA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ANPODIOJCHTRPS-HPSRTLAISA-N
HMDB51300,892.788376449,C59H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31-32,34,40,43,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,33,35-39,41-42,44-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,34-32-,43-40-/t57-/m1/s1",GYRPTTAXGGHLTH,XCWQEFOSSA,N,"TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/o-18:0)",GYRPTTAXGGHLTH-XCWQEFOSSA-N
HMDB51301,926.736340868,C61H98O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-36,40-45,58H,4-8,10-11,13-17,19-20,22-24,30-31,37-39,46-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-",RWPRLIYWRVDRSK,LLDHHOISSA,N,"TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",RWPRLIYWRVDRSK-LLDHHOISSA-N
HMDB51302,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34-35,37,42-43,45-46,60H,4-8,10-11,13-17,19-20,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m0/s1",ZJKYRERUNOYMDL,PKNJGHNMSA,N,"TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",ZJKYRERUNOYMDL-PKNJGHNMSA-N
HMDB51303,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36-37,39,44-45,47-48,62H,4-8,10-11,13-17,19-20,22-24,30-35,38,40-43,46,49-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-,48-45-/t62-/m0/s1",VCPFXENBNONKKX,KTYYCGPBSA,N,"TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",VCPFXENBNONKKX-KTYYCGPBSA-N
HMDB51304,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-32,34,38,40-41,43,56H,4-8,10-11,13-16,19,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-/t56-/m1/s1",HEYPQMCFNJLJQQ,LKPWAZGISA,N,"TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",HEYPQMCFNJLJQQ-LKPWAZGISA-N
HMDB51305,898.705040747,C59H94O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-32,34,36,38-41,43,56H,4-8,10-11,13-16,19,22-24,29,33,35,37,42,44-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-/t56-/m1/s1",FDOVSCFFFABNRR,CLWCJDNJSA,N,"TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",FDOVSCFFFABNRR-CLWCJDNJSA-N
HMDB51306,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,40,42-43,45,58H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-39,41,44,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-34-,43-40-,45-42-/t58-/m1/s1",RKOQVVRUFDGWNP,OWAQMAAXSA,N,"TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)",RKOQVVRUFDGWNP-OWAQMAAXSA-N
HMDB51307,926.736340876,C61H98O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-36,40,42-43,45,58H,4-8,10-11,13-15,17,20,22-24,30-31,37-39,41,44,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,45-42-/t58-/m1/s1",KRYMTNHVMPDYKU,QGCLXCEESA,N,"TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)",KRYMTNHVMPDYKU-QGCLXCEESA-N
HMDB51308,924.720690811,C61H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-36,40-45,58H,4-8,10-11,13-15,17,20,22-24,30-31,37-39,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-/t58-/m1/s1",GCYPFSFSHPZCIN,IPPKNNHTSA,N,"TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",GCYPFSFSHPZCIN-IPPKNNHTSA-N
HMDB51309,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34-35,37,42-43,45-46,60H,4-8,10-11,13-15,17,20,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m0/s1",OYJUCBWWULREPL,ZYXIWVIQSA,N,"TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",OYJUCBWWULREPL-ZYXIWVIQSA-N
HMDB51310,952.75199094,C63H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-35,37-38,41-43,45-46,60H,4-8,10-11,13-15,17,20,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-/t60-/m0/s1",KHYHDLAAJWKMKK,BVAHLLEGSA,N,"TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",KHYHDLAAJWKMKK-BVAHLLEGSA-N
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HMDB51335,976.75199094,C65H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-6,8,11,13-15,17,20,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-/t62-/m0/s1",HLHLXVHKMTYBSS,SNFMATEOSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HLHLXVHKMTYBSS-SNFMATEOSA-N
HMDB51336,918.804026513,C61H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,33-34,36-37,42,45,59H,4-7,9-10,12-16,18-19,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-/t59-/m1/s1",CZFYCHVQZNHWRI,YRGFOIIGSA,N,"TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)",CZFYCHVQZNHWRI-YRGFOIIGSA-N
HMDB51337,952.751990932,C63H100O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,34-39,43-48,60H,4-8,10-11,13-17,19-20,22-24,31-33,40-42,49-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-",SHAZOGSUZIJZCI,XRBFEMGHSA,N,"TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",SHAZOGSUZIJZCI-XRBFEMGHSA-N
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HMDB51351,948.720690811,C63H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34-39,43-48,60H,4-6,8,11,13-15,17,20,22-24,31-33,40-42,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-/t60-/m1/s1",JLGWCGWXKVZVNR,PRLRLHPPSA,N,"TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JLGWCGWXKVZVNR-PRLRLHPPSA-N
HMDB51352,976.75199094,C65H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-6,8,11,13-15,17,20,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-/t62-/m0/s1",LYMIXKGUZOITPL,UILJZFOVSA,N,"TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LYMIXKGUZOITPL-UILJZFOVSA-N
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HMDB51383,1002.767641004,C67H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-7,9-10,12-15,18,21-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-/t64-/m0/s1",DRRDAUNUIOJNCO,HWBGSUJESA,N,"TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DRRDAUNUIOJNCO-HWBGSUJESA-N
HMDB51384,950.736340876,C63H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-6,8,11,13-15,17,20,22-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-/t60-/m1/s1",MVUAQJJDLUMGNN,YQWSQCNMSA,N,"TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",MVUAQJJDLUMGNN-YQWSQCNMSA-N
HMDB51385,948.720690811,C63H96O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-6,8,11,13-15,17,20,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-/t60-/m1/s1",QYUVGVSFBOYKIN,KVAQOMBWSA,N,"TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",QYUVGVSFBOYKIN-KVAQOMBWSA-N
HMDB51386,976.75199094,C65H100O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-37,39-41,44,46,49-50,53,62H,4-6,9,12-15,18,21-24,31,33-34,38,42-43,45,47-48,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-,53-50-/t62-/m1/s1",MKUDSHOEWNCTAU,WWTGNTJDSA,N,"TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",MKUDSHOEWNCTAU-WWTGNTJDSA-N
HMDB51387,974.736340876,C65H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-6,9,12-15,18,21-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-/t62-/m1/s1",HACBAOINPHYNST,CQLYRNBESA,N,"TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HACBAOINPHYNST-CQLYRNBESA-N
HMDB51388,1002.767641004,C67H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-6,9,12-15,18,21-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-/t64-/m0/s1",KIJQVWMRPOBSPR,CVWLFOIZSA,N,"TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KIJQVWMRPOBSPR-CVWLFOIZSA-N
HMDB51389,1000.75199094,C67H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-6,9,12-15,18,21-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-/t64-/m0/s1",WXNUTYTVOPRTEX,RLWGBCHSSA,N,"TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WXNUTYTVOPRTEX-RLWGBCHSSA-N
HMDB51390,942.804026513,C63H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-/t61-/m1/s1",OTLKOLCCRBJOBU,GWOODHQGSA,N,"TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",OTLKOLCCRBJOBU-GWOODHQGSA-N
HMDB51391,920.819676566,C61H108O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33-34,36-37,42-43,45-46,59H,4-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b28-25-,29-26-,36-33-,37-34-,45-42-,46-43-",PLXRZMFCQOTPHD,MUCQOXKZSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/20:3(5Z,8Z,11Z))",PLXRZMFCQOTPHD-MUCQOXKZSA-N
HMDB51392,952.882276835,C63H116O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,35,38,44,47,61H,4-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b28-25-,29-26-,38-35-,47-44-/t61-/m0/s1",NTBWBNOELFPOOM,IUSIPSNBSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/22:1(13Z))",NTBWBNOELFPOOM-IUSIPSNBSA-N
HMDB51393,980.913576964,C65H120O5,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,37,40,46,49,63H,4-24,27,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b28-25-,29-26-,40-37-,49-46-/t63-/m0/s1",ZIFKEJLQZKPPKE,CCBFZBOPSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/24:1(15Z))",ZIFKEJLQZKPPKE-CCBFZBOPSA-N
HMDB51394,894.804026513,C59H106O5,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31-32,35,41,44,57H,4-17,19-20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b21-18-,28-25-,31-27-,35-32-,44-41-/t57-/m1/s1",DUDUQUKMCSKYNM,VRJULTKJSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/18:2(9Z,12Z))",DUDUQUKMCSKYNM-VRJULTKJSA-N
HMDB51395,892.788376449,C59H104O5,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31-32,35,37,40-41,44,57H,4-17,19-20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b21-18-,28-25-,31-27-,35-32-,40-37-,44-41-/t57-/m1/s1",GOBQSEDUDOPWOV,KWANHKIPSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/18:3(6Z,9Z,12Z))",GOBQSEDUDOPWOV-KWANHKIPSA-N
HMDB51396,922.835326642,C61H110O5,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,43,46,59H,4-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,46-43-/t59-/m1/s1",DZPXXOBPLHWVEK,FRVKUXNRSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/20:2n6)",DZPXXOBPLHWVEK-FRVKUXNRSA-N
HMDB51397,920.819676578,C61H108O5,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-34,36-37,43,46,59H,4-15,17-18,20-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,37-34-,46-43-/t59-/m1/s1",XUHIVVSHZONRPD,XDMBRYNESA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/20:3n6)",XUHIVVSHZONRPD-XDMBRYNESA-N
HMDB51398,918.804026513,C61H106O5,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-15,17-18,20-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t59-/m1/s1",ZBWYVOGMIHHDSE,UJWBYABHSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))",ZBWYVOGMIHHDSE-UJWBYABHSA-N
HMDB51399,950.866626771,C63H114O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,35,38,44,47,61H,4-15,17-18,20-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b19-16-,28-25-,29-26-,38-35-,47-44-/t61-/m0/s1",DBABQSZDEPAQMJ,JRLSHUFTSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/22:2(13Z,16Z))",DBABQSZDEPAQMJ-JRLSHUFTSA-N
HMDB51400,946.835326642,C63H110O5,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-/t61-/m0/s1",OHAHETINQNSLQQ,CUHQKKNRSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))",OHAHETINQNSLQQ-CUHQKKNRSA-N
HMDB51401,944.819676578,C63H108O5,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-/t61-/m0/s1",AXXALZKBFIPMAS,WNVUMEOFSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",AXXALZKBFIPMAS-WNVUMEOFSA-N
HMDB51402,892.788376449,C59H104O5,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31-32,35,41,44,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,35-32-,44-41-/t57-/m1/s1",AZJDANMCNMGQJO,ANJPPHJLSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/18:3(9Z,12Z,15Z))",AZJDANMCNMGQJO-ANJPPHJLSA-N
HMDB51403,890.772726384,C59H102O5,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31-32,35,37,40-41,44,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-/t57-/m1/s1",SLUCQVMZBGQGJM,GLGLKFEQSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",SLUCQVMZBGQGJM-GLGLKFEQSA-N
HMDB51404,918.804026513,C61H106O5,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-34,36-37,43,46,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,37-34-,46-43-/t59-/m1/s1",ARPDPNCDCWCYCF,CEUJQBBJSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",ARPDPNCDCWCYCF-CEUJQBBJSA-N
HMDB51405,916.788376449,C61H104O5,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t59-/m1/s1",PXSOQINXNQRAGX,GXKPELFGSA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",PXSOQINXNQRAGX-GXKPELFGSA-N
HMDB51406,944.819676578,C63H108O5,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-/t61-/m0/s1",YXNSTAIJZPYOPN,IUNYBWOESA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",YXNSTAIJZPYOPN-IUNYBWOESA-N
HMDB51407,942.804026513,C63H106O5,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-/t61-/m0/s1",NNNMVNSALGUZNQ,IIUSWYLASA,N,"TG(20:3(5Z,8Z,11Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NNNMVNSALGUZNQ-IIUSWYLASA-N
HMDB51408,942.86154138,C61H114O6,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,58H,4-23,28-57H2,1-3H3/b26-24-,27-25-",KVGQCWIIYQFVAZ,DSOYXUETSA,N,TG(22:1(13Z)/14:0/22:1(13Z)),KVGQCWIIYQFVAZ-DSOYXUETSA-N
HMDB51409,970.89284152,C63H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,60H,4-23,28-59H2,1-3H3/b26-24-,27-25-/t60-/m0/s1",YSHCWMWSRVVMKQ,RFEPONRGSA,N,TG(22:1(13Z)/14:0/24:1(15Z)),YSHCWMWSRVVMKQ-RFEPONRGSA-N
HMDB51410,884.783291069,C57H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,24-26,30,54H,4-16,18-19,21-23,27-29,31-53H2,1-3H3/b20-17-,26-24-,30-25-/t54-/m1/s1",GFXBBKRPUJCXGD,UPNUHEAOSA,N,"TG(22:1(13Z)/14:0/18:2(9Z,12Z))",GFXBBKRPUJCXGD-UPNUHEAOSA-N
HMDB51411,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,24-26,30,35,37,54H,4-16,18-19,21-23,27-29,31-34,36,38-53H2,1-3H3/b20-17-,26-24-,30-25-,37-35-/t54-/m1/s1",CTGSVLMVNLDPLN,ZIPSRPDOSA,N,"TG(22:1(13Z)/14:0/18:3(6Z,9Z,12Z))",CTGSVLMVNLDPLN-ZIPSRPDOSA-N
HMDB51412,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,56H,4-16,18-19,21-23,28-55H2,1-3H3/b20-17-,26-24-,27-25-/t56-/m1/s1",WRLFHXMUEKGYTJ,BXFVAOCJSA,N,TG(22:1(13Z)/14:0/20:2n6),WRLFHXMUEKGYTJ-BXFVAOCJSA-N
HMDB51413,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,56H,4-16,18-19,21-23,28-31,33,35-55H2,1-3H3/b20-17-,26-24-,27-25-,34-32-/t56-/m1/s1",CDLVLRSIYMAZSZ,BFVKOQTASA,N,TG(22:1(13Z)/14:0/20:3n6),CDLVLRSIYMAZSZ-BFVKOQTASA-N
HMDB51414,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,39,42,56H,4-16,18-19,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,42-39-/t56-/m1/s1",NSLPCSHFIFWQEE,VBCCMXARSA,N,"TG(22:1(13Z)/14:0/20:4(5Z,8Z,11Z,14Z))",NSLPCSHFIFWQEE-VBCCMXARSA-N
HMDB51415,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,58H,4-15,17-18,20-23,28-57H2,1-3H3/b19-16-,26-24-,27-25-/t58-/m1/s1",KDKFUFGVHHXTMC,IOQYWATLSA,N,"TG(22:1(13Z)/14:0/22:2(13Z,16Z))",KDKFUFGVHHXTMC-IOQYWATLSA-N
HMDB51416,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,36,39,58H,4-15,17-18,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,39-36-/t58-/m1/s1",UAHKTJLELSJWNP,NYZSQPRQSA,N,"TG(22:1(13Z)/14:0/22:4(7Z,10Z,13Z,16Z))",UAHKTJLELSJWNP-NYZSQPRQSA-N
HMDB51417,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,36,39,44,47,58H,4-15,17-18,20-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,39-36-,47-44-/t58-/m1/s1",FKAVEWXVKJNMCJ,CPWAKCMUSA,N,"TG(22:1(13Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",FKAVEWXVKJNMCJ-CPWAKCMUSA-N
HMDB51418,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-/t54-/m1/s1",KTVCIQXPZYXPQV,SFRWRGALSA,N,"TG(22:1(13Z)/14:0/18:3(9Z,12Z,15Z))",KTVCIQXPZYXPQV-SFRWRGALSA-N
HMDB51419,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,35,37,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-34,36,38-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-,37-35-/t54-/m1/s1",DOZPBKCIXFDCBR,WXYXMFETSA,N,"TG(22:1(13Z)/14:0/18:4(6Z,9Z,12Z,15Z))",DOZPBKCIXFDCBR-WXYXMFETSA-N
HMDB51420,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,56H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-/t56-/m1/s1",WRAFAYJGSYATDR,HECGYBABSA,N,"TG(22:1(13Z)/14:0/20:4(8Z,11Z,14Z,17Z))",WRAFAYJGSYATDR-HECGYBABSA-N
HMDB51421,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,39,42,56H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,42-39-/t56-/m1/s1",YAMGEDHUAILQMQ,JBTAZQKSSA,N,"TG(22:1(13Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",YAMGEDHUAILQMQ-JBTAZQKSSA-N
HMDB51422,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,39-36-/t58-/m1/s1",KKJAOOHIDMAKPH,UPKJCRFVSA,N,"TG(22:1(13Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",KKJAOOHIDMAKPH-UPKJCRFVSA-N
HMDB51423,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,36,39,44,47,58H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,39-36-,47-44-/t58-/m1/s1",MVRWFTFQHAVMSJ,KHBPMPQLSA,N,"TG(22:1(13Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MVRWFTFQHAVMSJ-KHBPMPQLSA-N
HMDB51424,874.835326642,C57H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h24,26,55H,4-23,25,27-54H2,1-3H3/b26-24-/t55-/m1/s1",NUXBWTCPUJBEJP,NQFDQYIDSA,N,TG(22:1(13Z)/14:0/o-18:0),NUXBWTCPUJBEJP-NQFDQYIDSA-N
HMDB51425,956.877191444,C62H116O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,59H,4-24,29-58H2,1-3H3/b27-25-,28-26-",HYHXHDSRSYLRBF,LBXGSASVSA,N,TG(22:1(13Z)/15:0/22:1(13Z)),HYHXHDSRSYLRBF-LBXGSASVSA-N
HMDB51426,984.908491584,C64H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,61H,4-24,29-60H2,1-3H3/b27-25-,28-26-/t61-/m0/s1",ZESOFCBMWKPOCB,IRVPXVQWSA,N,TG(22:1(13Z)/15:0/24:1(15Z)),ZESOFCBMWKPOCB-IRVPXVQWSA-N
HMDB51427,898.798941133,C58H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,55H,4-16,18-19,21-24,28-30,32-54H2,1-3H3/b20-17-,27-25-,31-26-/t55-/m1/s1",ZMLPYXDICDGROD,BQIKIWBJSA,N,"TG(22:1(13Z)/15:0/18:2(9Z,12Z))",ZMLPYXDICDGROD-BQIKIWBJSA-N
HMDB51428,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,36,38,55H,4-16,18-19,21-24,28-30,32-35,37,39-54H2,1-3H3/b20-17-,27-25-,31-26-,38-36-/t55-/m1/s1",QHWWDKOXAJWHAQ,YRYPUPAGSA,N,"TG(22:1(13Z)/15:0/18:3(6Z,9Z,12Z))",QHWWDKOXAJWHAQ-YRYPUPAGSA-N
HMDB51429,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,57H,4-16,18-19,21-24,29-56H2,1-3H3/b20-17-,27-25-,28-26-/t57-/m1/s1",PYHWTCSQKVRXCI,BPUMPKAGSA,N,TG(22:1(13Z)/15:0/20:2n6),PYHWTCSQKVRXCI-BPUMPKAGSA-N
HMDB51430,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,57H,4-16,18-19,21-24,29-32,34,36-56H2,1-3H3/b20-17-,27-25-,28-26-,35-33-/t57-/m1/s1",BAWVBAWEMFYUTP,JOWIJVFESA,N,TG(22:1(13Z)/15:0/20:3n6),BAWVBAWEMFYUTP-JOWIJVFESA-N
HMDB51431,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,40,43,57H,4-16,18-19,21-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,43-40-/t57-/m1/s1",DYBKVNTZTBYMLS,OSJDRKLDSA,N,"TG(22:1(13Z)/15:0/20:4(5Z,8Z,11Z,14Z))",DYBKVNTZTBYMLS-OSJDRKLDSA-N
HMDB51432,954.861541391,C62H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,59H,4-15,17-18,20-24,29-58H2,1-3H3/b19-16-,27-25-,28-26-/t59-/m1/s1",QCJNHNKJSHUPIE,AUSRIQRISA,N,"TG(22:1(13Z)/15:0/22:2(13Z,16Z))",QCJNHNKJSHUPIE-AUSRIQRISA-N
HMDB51433,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,37,40,59H,4-15,17-18,20-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-37-/t59-/m1/s1",YTUJDECLAQIFQH,PQRKSCCKSA,N,"TG(22:1(13Z)/15:0/22:4(7Z,10Z,13Z,16Z))",YTUJDECLAQIFQH-PQRKSCCKSA-N
HMDB51434,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,37,40,45,48,59H,4-15,17-18,20-24,29-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-37-,48-45-/t59-/m1/s1",ASWGPDHSYNDUHG,RIMMCIKLSA,N,"TG(22:1(13Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",ASWGPDHSYNDUHG-RIMMCIKLSA-N
HMDB51435,896.783291069,C58H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,55H,4-7,9-10,12-16,18-19,21-24,28-30,32-54H2,1-3H3/b11-8-,20-17-,27-25-,31-26-/t55-/m1/s1",XPUHNGSIUVKMSD,ORBLRMRESA,N,"TG(22:1(13Z)/15:0/18:3(9Z,12Z,15Z))",XPUHNGSIUVKMSD-ORBLRMRESA-N
HMDB51436,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,36,38,55H,4-7,9-10,12-16,18-19,21-24,28-30,32-35,37,39-54H2,1-3H3/b11-8-,20-17-,27-25-,31-26-,38-36-/t55-/m1/s1",AACZXYOSBJYYOH,XBNQVYLISA,N,"TG(22:1(13Z)/15:0/18:4(6Z,9Z,12Z,15Z))",AACZXYOSBJYYOH-XBNQVYLISA-N
HMDB51437,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,57H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-/t57-/m1/s1",WXYYBFWNDVXEEG,KLVQQRKYSA,N,"TG(22:1(13Z)/15:0/20:4(8Z,11Z,14Z,17Z))",WXYYBFWNDVXEEG-KLVQQRKYSA-N
HMDB51438,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,40,43,57H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,43-40-/t57-/m1/s1",HWUXUOFDSHNJQC,VSWNCIKASA,N,"TG(22:1(13Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",HWUXUOFDSHNJQC-VSWNCIKASA-N
HMDB51439,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,37,40,59H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-37-/t59-/m1/s1",NOTZRLQHXWAEJU,BLXDADNPSA,N,"TG(22:1(13Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",NOTZRLQHXWAEJU-BLXDADNPSA-N
HMDB51440,946.798941133,C62H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,37,40,45,48,59H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-37-,48-45-/t59-/m1/s1",HOTWRRIUQUYMLY,PZMRPCLTSA,N,"TG(22:1(13Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HOTWRRIUQUYMLY-PZMRPCLTSA-N
HMDB51441,888.850976706,C58H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m1/s1",QFCVEGHIBDOPPY,VXVUXWGWSA,N,TG(22:1(13Z)/15:0/o-18:0),QFCVEGHIBDOPPY-VXVUXWGWSA-N
HMDB51442,970.892841508,C63H118O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,60H,4-24,29-59H2,1-3H3/b27-25-,28-26-",UBSHSSBEIAVWOU,LBXGSASVSA,N,TG(22:1(13Z)/16:0/22:1(13Z)),UBSHSSBEIAVWOU-LBXGSASVSA-N
HMDB51443,998.924141648,C65H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,62H,4-24,29-61H2,1-3H3/b27-25-,28-26-/t62-/m0/s1",PYEFCRJUCVHAJZ,GLBIFRBTSA,N,TG(22:1(13Z)/16:0/24:1(15Z)),PYEFCRJUCVHAJZ-GLBIFRBTSA-N
HMDB51444,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,56H,4-16,18-19,21-24,28-30,32-55H2,1-3H3/b20-17-,27-25-,31-26-/t56-/m1/s1",OXVLRCDPUXHWNC,STYMRGQYSA,N,"TG(22:1(13Z)/16:0/18:2(9Z,12Z))",OXVLRCDPUXHWNC-STYMRGQYSA-N
HMDB51445,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,36,39,56H,4-16,18-19,21-24,28-30,32-35,37-38,40-55H2,1-3H3/b20-17-,27-25-,31-26-,39-36-/t56-/m1/s1",DZVAJEFKROJDIP,DNGOGBDFSA,N,"TG(22:1(13Z)/16:0/18:3(6Z,9Z,12Z))",DZVAJEFKROJDIP-DNGOGBDFSA-N
HMDB51446,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,58H,4-16,18-19,21-24,29-57H2,1-3H3/b20-17-,27-25-,28-26-/t58-/m1/s1",BZDZWWVXHKYJJZ,MNQWXSIMSA,N,TG(22:1(13Z)/16:0/20:2n6),BZDZWWVXHKYJJZ-MNQWXSIMSA-N
HMDB51447,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,58H,4-16,18-19,21-24,29-32,34-35,37-57H2,1-3H3/b20-17-,27-25-,28-26-,36-33-/t58-/m1/s1",CNDQFBSWPRXSTI,IQEMJYAVSA,N,TG(22:1(13Z)/16:0/20:3n6),CNDQFBSWPRXSTI-IQEMJYAVSA-N
HMDB51448,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,41,44,58H,4-16,18-19,21-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b20-17-,27-25-,28-26-,36-33-,44-41-/t58-/m1/s1",LTUIUEWWDFDQNE,GJWYSHKDSA,N,"TG(22:1(13Z)/16:0/20:4(5Z,8Z,11Z,14Z))",LTUIUEWWDFDQNE-GJWYSHKDSA-N
HMDB51449,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,60H,4-15,17-18,20-24,29-59H2,1-3H3/b19-16-,27-25-,28-26-/t60-/m1/s1",FVDYYPMNUFXGPD,SWORMYSDSA,N,"TG(22:1(13Z)/16:0/22:2(13Z,16Z))",FVDYYPMNUFXGPD-SWORMYSDSA-N
HMDB51450,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,38,40,60H,4-15,17-18,20-24,29-30,32,34-37,39,41-59H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-38-/t60-/m1/s1",YHKXBBUZMDPXSA,GJYKUPRLSA,N,"TG(22:1(13Z)/16:0/22:4(7Z,10Z,13Z,16Z))",YHKXBBUZMDPXSA-GJYKUPRLSA-N
HMDB51451,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,38,40,46,49,60H,4-15,17-18,20-24,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-38-,49-46-/t60-/m1/s1",YSPOTOBPQXVIKH,RYVVUGRYSA,N,"TG(22:1(13Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",YSPOTOBPQXVIKH-RYVVUGRYSA-N
HMDB51452,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,56H,4-7,9-10,12-16,18-19,21-24,28-30,32-55H2,1-3H3/b11-8-,20-17-,27-25-,31-26-/t56-/m1/s1",VXWBPBLJTDLGRY,KJYLDBSOSA,N,"TG(22:1(13Z)/16:0/18:3(9Z,12Z,15Z))",VXWBPBLJTDLGRY-KJYLDBSOSA-N
HMDB51453,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,36,39,56H,4-7,9-10,12-16,18-19,21-24,28-30,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,27-25-,31-26-,39-36-/t56-/m1/s1",PZQUFIHGHFVNFU,LXHRKPHTSA,N,"TG(22:1(13Z)/16:0/18:4(6Z,9Z,12Z,15Z))",PZQUFIHGHFVNFU-LXHRKPHTSA-N
HMDB51454,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,58H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-/t58-/m1/s1",GCAOEQYOECUZDT,UAZNYZIJSA,N,"TG(22:1(13Z)/16:0/20:4(8Z,11Z,14Z,17Z))",GCAOEQYOECUZDT-UAZNYZIJSA-N
HMDB51455,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,41,44,58H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-,44-41-/t58-/m1/s1",IQUSPFNXXYTMMM,IQPGWLGCSA,N,"TG(22:1(13Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",IQUSPFNXXYTMMM-IQPGWLGCSA-N
HMDB51456,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,38,40,60H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-38-/t60-/m1/s1",FFRUWMSJKGSWRM,PCPUPOLYSA,N,"TG(22:1(13Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",FFRUWMSJKGSWRM-PCPUPOLYSA-N
HMDB51457,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,38,40,46,49,60H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-38-,49-46-/t60-/m1/s1",IDNLOXNXWNWCBT,MHDHSUAHSA,N,"TG(22:1(13Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IDNLOXNXWNWCBT-MHDHSUAHSA-N
HMDB51458,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-/t57-/m1/s1",DXLAMQSKKMZWNP,AZOUTRKJSA,N,TG(22:1(13Z)/16:0/o-18:0),DXLAMQSKKMZWNP-AZOUTRKJSA-N
HMDB51459,998.924141636,C65H122O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-",QUOJNBZXSXWTAS,RZEXXKRKSA,N,TG(22:1(13Z)/18:0/22:1(13Z)),QUOJNBZXSXWTAS-RZEXXKRKSA-N
HMDB51460,1026.955441777,C67H126O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-/t64-/m0/s1",GXERXKWITYLIBK,GALFXKOHSA,N,TG(22:1(13Z)/18:0/24:1(15Z)),GXERXKWITYLIBK-GALFXKOHSA-N
HMDB51461,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,32,58H,4-16,18-19,21-24,27,29-31,33-57H2,1-3H3/b20-17-,28-25-,32-26-/t58-/m1/s1",SCINELBMQVGABE,CGSGPZGSSA,N,"TG(22:1(13Z)/18:0/18:2(9Z,12Z))",SCINELBMQVGABE-CGSGPZGSSA-N
HMDB51462,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,32,38,41,58H,4-16,18-19,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b20-17-,28-25-,32-26-,41-38-/t58-/m1/s1",VCPLVQPYTVTKNH,UANQULQISA,N,"TG(22:1(13Z)/18:0/18:3(6Z,9Z,12Z))",VCPLVQPYTVTKNH-UANQULQISA-N
HMDB51463,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,60H,4-16,18-19,21-24,27,30-59H2,1-3H3/b20-17-,28-25-,29-26-/t60-/m1/s1",VVFRIVIQQBOTDF,KKKPCJSSSA,N,TG(22:1(13Z)/18:0/20:2n6),VVFRIVIQQBOTDF-KKKPCJSSSA-N
HMDB51464,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,60H,4-16,18-19,21-24,27,30-34,36,38-59H2,1-3H3/b20-17-,28-25-,29-26-,37-35-/t60-/m1/s1",NFQNKTWBGDXABY,UBYMWZGESA,N,TG(22:1(13Z)/18:0/20:3n6),NFQNKTWBGDXABY-UBYMWZGESA-N
HMDB51465,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,43,46,60H,4-16,18-19,21-24,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b20-17-,28-25-,29-26-,37-35-,46-43-/t60-/m1/s1",OIMOXMXEHNPADS,GAZXSFRPSA,N,"TG(22:1(13Z)/18:0/20:4(5Z,8Z,11Z,14Z))",OIMOXMXEHNPADS-GAZXSFRPSA-N
HMDB51466,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,62H,4-15,17-18,20-24,27,30-61H2,1-3H3/b19-16-,28-25-,29-26-/t62-/m1/s1",WUQPCHMEQZWFAB,USWQOYEHSA,N,"TG(22:1(13Z)/18:0/22:2(13Z,16Z))",WUQPCHMEQZWFAB-USWQOYEHSA-N
HMDB51467,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,62H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-/t62-/m1/s1",DEGPLGZUXDUUQQ,JMMBOMOBSA,N,"TG(22:1(13Z)/18:0/22:4(7Z,10Z,13Z,16Z))",DEGPLGZUXDUUQQ-JMMBOMOBSA-N
HMDB51468,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,48,51,62H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-,51-48-/t62-/m1/s1",OFGDIAUABPQXID,IBPVKANYSA,N,"TG(22:1(13Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",OFGDIAUABPQXID-IBPVKANYSA-N
HMDB51469,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,32,58H,4-7,9-10,12-16,18-19,21-24,27,29-31,33-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-/t58-/m1/s1",PGNCZCAOFLJMMB,PMEQYAFJSA,N,"TG(22:1(13Z)/18:0/18:3(9Z,12Z,15Z))",PGNCZCAOFLJMMB-PMEQYAFJSA-N
HMDB51470,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,32,38,41,58H,4-7,9-10,12-16,18-19,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,41-38-/t58-/m1/s1",CVXJXPULYXJDTR,UKYDEWOGSA,N,"TG(22:1(13Z)/18:0/18:4(6Z,9Z,12Z,15Z))",CVXJXPULYXJDTR-UKYDEWOGSA-N
HMDB51471,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,60H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-/t60-/m1/s1",VFWNWLUEZNPXHB,LZHILDLJSA,N,"TG(22:1(13Z)/18:0/20:4(8Z,11Z,14Z,17Z))",VFWNWLUEZNPXHB-LZHILDLJSA-N
HMDB51472,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,43,46,60H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,46-43-/t60-/m1/s1",MODPITGELPIGOT,LLSJPXHWSA,N,"TG(22:1(13Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",MODPITGELPIGOT-LLSJPXHWSA-N
HMDB51473,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-/t62-/m1/s1",UCIXJNITFSDIEG,KFFIGFPBSA,N,"TG(22:1(13Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",UCIXJNITFSDIEG-KFFIGFPBSA-N
HMDB51474,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,48,51,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-,51-48-/t62-/m1/s1",OODHQPCFOHCWDK,FHZDLKPRSA,N,"TG(22:1(13Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OODHQPCFOHCWDK-FHZDLKPRSA-N
HMDB51475,930.8979269,C61H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-/t59-/m1/s1",ZTEKMCRHYGXMJU,VHEGMGFBSA,N,TG(22:1(13Z)/18:0/o-18:0),ZTEKMCRHYGXMJU-VHEGMGFBSA-N
HMDB51476,1026.955441764,C67H126O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-",PXBNBVDUUFQPJY,RZEXXKRKSA,N,TG(22:1(13Z)/20:0/22:1(13Z)),PXBNBVDUUFQPJY-RZEXXKRKSA-N
HMDB51477,1054.986741906,C69H130O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-/t66-/m0/s1",XRUWGGNVCZUMLQ,HTLSSGDLSA,N,TG(22:1(13Z)/20:0/24:1(15Z)),XRUWGGNVCZUMLQ-HTLSSGDLSA-N
HMDB51478,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,34,60H,4-17,19-20,22-24,26,29-33,35-59H2,1-3H3/b21-18-,28-25-,34-27-/t60-/m1/s1",AVPYORJSIJFEAZ,LIPCYRNNSA,N,"TG(22:1(13Z)/20:0/18:2(9Z,12Z))",AVPYORJSIJFEAZ-LIPCYRNNSA-N
HMDB51479,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,34,40,43,60H,4-17,19-20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b21-18-,28-25-,34-27-,43-40-/t60-/m1/s1",DFWJNSRUGPXPNK,SFBWWLFMSA,N,"TG(22:1(13Z)/20:0/18:3(6Z,9Z,12Z))",DFWJNSRUGPXPNK-SFBWWLFMSA-N
HMDB51480,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,62H,4-16,18-19,21-24,27,30-61H2,1-3H3/b20-17-,28-25-,29-26-/t62-/m1/s1",JEHKAPKZQGZUGZ,LXMQAQNNSA,N,TG(22:1(13Z)/20:0/20:2n6),JEHKAPKZQGZUGZ-LXMQAQNNSA-N
HMDB51481,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,62H,4-16,18-19,21-24,27,30-35,37-38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,39-36-/t62-/m1/s1",JLBOIQHNGRCLIP,PUBYDFFJSA,N,TG(22:1(13Z)/20:0/20:3n6),JLBOIQHNGRCLIP-PUBYDFFJSA-N
HMDB51482,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,45,48,62H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-/t62-/m1/s1",JDGLCCOBXLXMDS,MSMPKMDJSA,N,"TG(22:1(13Z)/20:0/20:4(5Z,8Z,11Z,14Z))",JDGLCCOBXLXMDS-MSMPKMDJSA-N
HMDB51483,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,64H,4-15,17-18,20-24,27,30-63H2,1-3H3/b19-16-,28-25-,29-26-/t64-/m1/s1",UIUWIYOEPKGZQQ,DLHBLMLTSA,N,"TG(22:1(13Z)/20:0/22:2(13Z,16Z))",UIUWIYOEPKGZQQ-DLHBLMLTSA-N
HMDB51484,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,41,44,64H,4-15,17-18,20-24,27,30-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,44-41-/t64-/m1/s1",WXYZZAPGGMDBOH,GYZGXWEQSA,N,"TG(22:1(13Z)/20:0/22:4(7Z,10Z,13Z,16Z))",WXYZZAPGGMDBOH-GYZGXWEQSA-N
HMDB51485,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,41,44,50,53,64H,4-15,17-18,20-24,27,30-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,44-41-,53-50-/t64-/m1/s1",ZZDGFSNGMGNKRP,RCMHIBEPSA,N,"TG(22:1(13Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZZDGFSNGMGNKRP-RCMHIBEPSA-N
HMDB51486,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,34,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-/t60-/m1/s1",JNDBWTLJGLLSAK,HWMIBPLFSA,N,"TG(22:1(13Z)/20:0/18:3(9Z,12Z,15Z))",JNDBWTLJGLLSAK-HWMIBPLFSA-N
HMDB51487,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,34,40,43,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-,43-40-/t60-/m1/s1",HSOJKQPYAKFWOR,LRVAFUCOSA,N,"TG(22:1(13Z)/20:0/18:4(6Z,9Z,12Z,15Z))",HSOJKQPYAKFWOR-LRVAFUCOSA-N
HMDB51488,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,62H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-/t62-/m1/s1",JZUIXRMDNOQUIV,FXCCIMOHSA,N,"TG(22:1(13Z)/20:0/20:4(8Z,11Z,14Z,17Z))",JZUIXRMDNOQUIV-FXCCIMOHSA-N
HMDB51489,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-/t62-/m1/s1",XQDQPEKBHRFAIF,WPWZRLEJSA,N,"TG(22:1(13Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",XQDQPEKBHRFAIF-WPWZRLEJSA-N
HMDB51490,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,41,44,64H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,44-41-/t64-/m1/s1",VUPAGRRBWYBUHT,GMEUYCKNSA,N,"TG(22:1(13Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",VUPAGRRBWYBUHT-GMEUYCKNSA-N
HMDB51491,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,41,44,50,53,64H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,44-41-,53-50-/t64-/m1/s1",ZXOMCTQLZVLXBZ,RZQIAPJBSA,N,"TG(22:1(13Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZXOMCTQLZVLXBZ-RZQIAPJBSA-N
HMDB51492,958.929227028,C63H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-/t61-/m1/s1",DUEKVDIAQKILOH,NYRYLARASA,N,TG(22:1(13Z)/20:0/o-18:0),DUEKVDIAQKILOH-NYRYLARASA-N
HMDB51493,1054.986741892,C69H130O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-",XAFQOHXWAWTXOK,RZEXXKRKSA,N,TG(22:1(13Z)/22:0/22:1(13Z)),XAFQOHXWAWTXOK-RZEXXKRKSA-N
HMDB51494,1083.018042035,C71H134O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,68H,4-24,27,30-67H2,1-3H3/b28-25-,29-26-/t68-/m0/s1",PWYGJYVHPNWPJM,SXYWUVMPSA,N,TG(22:1(13Z)/22:0/24:1(15Z)),PWYGJYVHPNWPJM-SXYWUVMPSA-N
HMDB51495,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,62H,4-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b21-18-,28-25-,36-27-/t62-/m1/s1",GLKVFWGNFKWXKO,VIRZPCQBSA,N,"TG(22:1(13Z)/22:0/18:2(9Z,12Z))",GLKVFWGNFKWXKO-VIRZPCQBSA-N
HMDB51496,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,42,45,62H,4-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,36-27-,45-42-/t62-/m1/s1",SAPBKXGZBNWVHW,BOKIDYLASA,N,"TG(22:1(13Z)/22:0/18:3(6Z,9Z,12Z))",SAPBKXGZBNWVHW-BOKIDYLASA-N
HMDB51497,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,64H,4-17,19-20,22-24,26,29,31-63H2,1-3H3/b21-18-,28-25-,30-27-/t64-/m1/s1",GQSYTRCRJMMHCT,JWYMWVRASA,N,TG(22:1(13Z)/22:0/20:2n6),GQSYTRCRJMMHCT-JWYMWVRASA-N
HMDB51498,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,64H,4-17,19-20,22-24,26,29,31-37,39-40,42-63H2,1-3H3/b21-18-,28-25-,30-27-,41-38-/t64-/m1/s1",XBDPIILOJZACPY,BERCPFQXSA,N,TG(22:1(13Z)/22:0/20:3n6),XBDPIILOJZACPY-BERCPFQXSA-N
HMDB51499,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,47,50,64H,4-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b21-18-,28-25-,30-27-,41-38-,50-47-/t64-/m1/s1",PLQKXTFQGRQRSA,UKGDHDBMSA,N,"TG(22:1(13Z)/22:0/20:4(5Z,8Z,11Z,14Z))",PLQKXTFQGRQRSA-UKGDHDBMSA-N
HMDB51500,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,66H,4-15,17-18,20-24,27,30-65H2,1-3H3/b19-16-,28-25-,29-26-/t66-/m1/s1",VKBPWSAYQYSILD,MDHHUWLBSA,N,"TG(22:1(13Z)/22:0/22:2(13Z,16Z))",VKBPWSAYQYSILD-MDHHUWLBSA-N
HMDB51501,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,43,46,66H,4-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,46-43-/t66-/m1/s1",IRQQEYCXNKHHGA,APVHADSBSA,N,"TG(22:1(13Z)/22:0/22:4(7Z,10Z,13Z,16Z))",IRQQEYCXNKHHGA-APVHADSBSA-N
HMDB51502,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,43,46,52,55,66H,4-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,46-43-,55-52-/t66-/m1/s1",PBLQWZKNABGEIM,BEOTZJGRSA,N,"TG(22:1(13Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",PBLQWZKNABGEIM-BEOTZJGRSA-N
HMDB51503,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-/t62-/m1/s1",MUCQIYIMGGLYQE,LKWUKGODSA,N,"TG(22:1(13Z)/22:0/18:3(9Z,12Z,15Z))",MUCQIYIMGGLYQE-LKWUKGODSA-N
HMDB51504,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-,45-42-/t62-/m1/s1",URSWFDTVUOQZSQ,SRJOKPMTSA,N,"TG(22:1(13Z)/22:0/18:4(6Z,9Z,12Z,15Z))",URSWFDTVUOQZSQ-SRJOKPMTSA-N
HMDB51505,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-/t64-/m1/s1",FUARBRVXJYOHGH,GAPGKTQGSA,N,"TG(22:1(13Z)/22:0/20:4(8Z,11Z,14Z,17Z))",FUARBRVXJYOHGH-GAPGKTQGSA-N
HMDB51506,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,47,50,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-,50-47-/t64-/m1/s1",KTDASYXSEZBWHA,VOIFZIHCSA,N,"TG(22:1(13Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",KTDASYXSEZBWHA-VOIFZIHCSA-N
HMDB51507,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,43,46,66H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-,46-43-/t66-/m1/s1",HLTGBVOMERCTKY,OWGAQAGKSA,N,"TG(22:1(13Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",HLTGBVOMERCTKY-OWGAQAGKSA-N
HMDB51508,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,43,46,52,55,66H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-,46-43-,55-52-/t66-/m1/s1",WFUDZNJSFBMIJJ,FLOTYLDWSA,N,"TG(22:1(13Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WFUDZNJSFBMIJJ-FLOTYLDWSA-N
HMDB51509,986.960527157,C65H126O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-/t63-/m1/s1",MCTYPZJATZZNLE,QJXSGVRKSA,N,TG(22:1(13Z)/22:0/o-18:0),MCTYPZJATZZNLE-QJXSGVRKSA-N
HMDB51510,1083.01804202,C71H134O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,68H,4-25,28,31-67H2,1-3H3/b29-26-,30-27-",BPTDZQYJGSHVPE,MIFGFRIJSA,N,TG(22:1(13Z)/24:0/22:1(13Z)),BPTDZQYJGSHVPE-MIFGFRIJSA-N
HMDB51511,1111.049342164,C73H138O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,70H,4-24,26,29,31-69H2,1-3H3/b28-25-,30-27-/t70-/m0/s1",UFRLLKLSQVAJBF,LQHNEPMFSA,N,TG(22:1(13Z)/24:0/24:1(15Z)),UFRLLKLSQVAJBF-LQHNEPMFSA-N
HMDB51512,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,38,64H,4-17,19-20,22-25,28,30-37,39-63H2,1-3H3/b21-18-,29-26-,38-27-/t64-/m1/s1",ZHLOQSNUSVLJCL,WCHXYDRGSA,N,"TG(22:1(13Z)/24:0/18:2(9Z,12Z))",ZHLOQSNUSVLJCL-WCHXYDRGSA-N
HMDB51513,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,38,44,47,64H,4-17,19-20,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b21-18-,29-26-,38-27-,47-44-/t64-/m1/s1",OKTVSFZTSRPZDG,XBFJPUDCSA,N,"TG(22:1(13Z)/24:0/18:3(6Z,9Z,12Z))",OKTVSFZTSRPZDG-XBFJPUDCSA-N
HMDB51514,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,66H,4-17,19-20,22-25,28,31-65H2,1-3H3/b21-18-,29-26-,30-27-/t66-/m1/s1",PIPAFUJMWQVDBO,LHOHCSIMSA,N,TG(22:1(13Z)/24:0/20:2n6),PIPAFUJMWQVDBO-LHOHCSIMSA-N
HMDB51515,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,66H,4-17,19-20,22-25,28,31-39,41-42,44-65H2,1-3H3/b21-18-,29-26-,30-27-,43-40-/t66-/m1/s1",JPCRQUGIPIMONJ,MGJGGFKJSA,N,TG(22:1(13Z)/24:0/20:3n6),JPCRQUGIPIMONJ-MGJGGFKJSA-N
HMDB51516,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,49,52,66H,4-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",JCZSBQUVCVDKEF,WXRQIBCTSA,N,"TG(22:1(13Z)/24:0/20:4(5Z,8Z,11Z,14Z))",JCZSBQUVCVDKEF-WXRQIBCTSA-N
HMDB51517,1081.00239197,C71H132O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,68H,4-16,18-19,21-25,28,31-67H2,1-3H3/b20-17-,29-26-,30-27-/t68-/m1/s1",PGMRVNBJPFVSAJ,YUTHXENSSA,N,"TG(22:1(13Z)/24:0/22:2(13Z,16Z))",PGMRVNBJPFVSAJ-YUTHXENSSA-N
HMDB51518,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36,39,45,48,68H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",MYNUSEKIHGSZPG,LZQBGYHSSA,N,"TG(22:1(13Z)/24:0/22:4(7Z,10Z,13Z,16Z))",MYNUSEKIHGSZPG-LZQBGYHSSA-N
HMDB51519,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36,39,45,48,54,57,68H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",FXMBNHBXIUJURQ,QYCXAKNLSA,N,"TG(22:1(13Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",FXMBNHBXIUJURQ-QYCXAKNLSA-N
HMDB51520,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,38,64H,4-8,10-11,13-17,19-20,22-25,28,30-37,39-63H2,1-3H3/b12-9-,21-18-,29-26-,38-27-/t64-/m1/s1",UJRWNGDYXQADRH,HTMXPWPGSA,N,"TG(22:1(13Z)/24:0/18:3(9Z,12Z,15Z))",UJRWNGDYXQADRH-HTMXPWPGSA-N
HMDB51521,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,38,44,47,64H,4-8,10-11,13-17,19-20,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,29-26-,38-27-,47-44-/t64-/m1/s1",MTVGSQLYXJEJMS,ZOOKIGAWSA,N,"TG(22:1(13Z)/24:0/18:4(6Z,9Z,12Z,15Z))",MTVGSQLYXJEJMS-ZOOKIGAWSA-N
HMDB51522,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,66H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-/t66-/m1/s1",ABNXQJKRRKPJNY,NHQYQYQFSA,N,"TG(22:1(13Z)/24:0/20:4(8Z,11Z,14Z,17Z))",ABNXQJKRRKPJNY-NHQYQYQFSA-N
HMDB51523,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",BZHYGJATGHGDNV,GIQZPSPQSA,N,"TG(22:1(13Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",BZHYGJATGHGDNV-GIQZPSPQSA-N
HMDB51524,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",YMJQHOPKPXOPTD,ZOEJIFRASA,N,"TG(22:1(13Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",YMJQHOPKPXOPTD-ZOEJIFRASA-N
HMDB51525,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",DSZZBQATJHYQHK,HYBSJYSYSA,N,"TG(22:1(13Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DSZZBQATJHYQHK-HYBSJYSYSA-N
HMDB51526,1014.991827286,C67H130O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,65H,4-25,27-28,30-64H2,1-3H3/b29-26-/t65-/m1/s1",QBQCGXDJUYMEBG,FHQWLIJJSA,N,TG(22:1(13Z)/24:0/o-18:0),QBQCGXDJUYMEBG-FHQWLIJJSA-N
HMDB51527,940.845891316,C61H112O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,58H,4-14,16-17,19-23,28-57H2,1-3H3/b18-15-,26-24-,27-25-",STYLBDUVJOXRMQ,JEDOZFSMSA,N,TG(22:1(13Z)/14:1(9Z)/22:1(13Z)),STYLBDUVJOXRMQ-JEDOZFSMSA-N
HMDB51528,968.877191455,C63H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,60H,4-14,16-17,19-23,28-59H2,1-3H3/b18-15-,26-24-,27-25-/t60-/m0/s1",KTCYPQYXMMRSJQ,BKDMQJNTSA,N,TG(22:1(13Z)/14:1(9Z)/24:1(15Z)),KTCYPQYXMMRSJQ-BKDMQJNTSA-N
HMDB51529,882.767641004,C57H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,30,54H,4-14,16,19,21-23,27-29,31-53H2,1-3H3/b18-15-,20-17-,26-24-,30-25-/t54-/m1/s1",AMRBACSYMREFMZ,JRGBJOFLSA,N,"TG(22:1(13Z)/14:1(9Z)/18:2(9Z,12Z))",AMRBACSYMREFMZ-JRGBJOFLSA-N
HMDB51530,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,30,35,37,54H,4-14,16,19,21-23,27-29,31-34,36,38-53H2,1-3H3/b18-15-,20-17-,26-24-,30-25-,37-35-/t54-/m1/s1",PPUMCDNARAYNQV,QICALWOQSA,N,"TG(22:1(13Z)/14:1(9Z)/18:3(6Z,9Z,12Z))",PPUMCDNARAYNQV-QICALWOQSA-N
HMDB51531,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,56H,4-14,16,19,21-23,28-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-/t56-/m1/s1",TUISUMUNUIRPNA,MCTUCNRKSA,N,TG(22:1(13Z)/14:1(9Z)/20:2n6),TUISUMUNUIRPNA-MCTUCNRKSA-N
HMDB51532,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,56H,4-14,16,19,21-23,28-31,33,35-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-/t56-/m1/s1",RSSVAUCMKSOSJP,FXRYJFAKSA,N,TG(22:1(13Z)/14:1(9Z)/20:3n6),RSSVAUCMKSOSJP-FXRYJFAKSA-N
HMDB51533,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,39,42,56H,4-14,16,19,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,42-39-/t56-/m1/s1",FFJPKFOTPQCFES,ISPNJBSASA,N,"TG(22:1(13Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",FFJPKFOTPQCFES-ISPNJBSASA-N
HMDB51534,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,58H,4-14,17,20-23,28-57H2,1-3H3/b18-15-,19-16-,26-24-,27-25-/t58-/m1/s1",LOKPBYPRLSRHNU,ZZKVCCDWSA,N,"TG(22:1(13Z)/14:1(9Z)/22:2(13Z,16Z))",LOKPBYPRLSRHNU-ZZKVCCDWSA-N
HMDB51535,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,36,39,58H,4-14,17,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,39-36-/t58-/m1/s1",XJXTVHRRJYUUOG,FDKCINSNSA,N,"TG(22:1(13Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",XJXTVHRRJYUUOG-FDKCINSNSA-N
HMDB51536,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,36,39,44,47,58H,4-14,17,20-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,39-36-,47-44-/t58-/m1/s1",RMZQBMKVMRPQDG,LGYKVLBFSA,N,"TG(22:1(13Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RMZQBMKVMRPQDG-LGYKVLBFSA-N
HMDB51537,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,30,54H,4-7,9-10,12-14,16,19,21-23,27-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,30-25-/t54-/m1/s1",AXCNRVAYUVDITR,AUCRTYPQSA,N,"TG(22:1(13Z)/14:1(9Z)/18:3(9Z,12Z,15Z))",AXCNRVAYUVDITR-AUCRTYPQSA-N
HMDB51538,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,30,35,37,54H,4-7,9-10,12-14,16,19,21-23,27-29,31-34,36,38-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,30-25-,37-35-/t54-/m1/s1",KOAKBVCUSLLJNA,YNQUNOOMSA,N,"TG(22:1(13Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",KOAKBVCUSLLJNA-YNQUNOOMSA-N
HMDB51539,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,56H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-/t56-/m1/s1",LXITZXYGFKGZIJ,STOZWPJUSA,N,"TG(22:1(13Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",LXITZXYGFKGZIJ-STOZWPJUSA-N
HMDB51540,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,39,42,56H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,42-39-/t56-/m1/s1",WIRHAZWXLUGRMG,MOBDMDBMSA,N,"TG(22:1(13Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WIRHAZWXLUGRMG-MOBDMDBMSA-N
HMDB51541,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,36,39,58H,4-6,8-9,11-14,17,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,39-36-/t58-/m1/s1",OSQACYDAZZEQNT,HMUWUYPMSA,N,"TG(22:1(13Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OSQACYDAZZEQNT-HMUWUYPMSA-N
HMDB51542,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,36,39,44,47,58H,4-6,8-9,11-14,17,20-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,39-36-,47-44-/t58-/m1/s1",RQOINXBOORPMGV,QGKYOOBWSA,N,"TG(22:1(13Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RQOINXBOORPMGV-QGKYOOBWSA-N
HMDB51543,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,55H,4-14,16-17,19-23,25,27-54H2,1-3H3/b18-15-,26-24-/t55-/m1/s1",KTKLILCXJXVAKC,PDQAXAAQSA,N,TG(22:1(13Z)/14:1(9Z)/o-18:0),KTKLILCXJXVAKC-PDQAXAAQSA-N
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HMDB51545,996.908491584,C65H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,62H,4-20,22-23,29-61H2,1-3H3/b24-21-,27-25-,28-26-/t62-/m0/s1",BDZCGRCNSASJEN,QFLDDGFBSA,N,TG(22:1(13Z)/16:1(9Z)/24:1(15Z)),BDZCGRCNSASJEN-QFLDDGFBSA-N
HMDB51546,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,31,56H,4-16,18-19,22-23,28-30,32-55H2,1-3H3/b20-17-,24-21-,27-25-,31-26-/t56-/m1/s1",WLGHJCANMJGWAQ,ZFGSSVMHSA,N,"TG(22:1(13Z)/16:1(9Z)/18:2(9Z,12Z))",WLGHJCANMJGWAQ-ZFGSSVMHSA-N
HMDB51547,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,31,36,39,56H,4-16,18-19,22-23,28-30,32-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,27-25-,31-26-,39-36-/t56-/m1/s1",NLVLMIIANFDCON,OTVWFKSLSA,N,"TG(22:1(13Z)/16:1(9Z)/18:3(6Z,9Z,12Z))",NLVLMIIANFDCON-OTVWFKSLSA-N
HMDB51548,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,58H,4-16,18-19,22-23,29-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-/t58-/m1/s1",ZQAVPFDERBCAHC,DEDAJHKLSA,N,TG(22:1(13Z)/16:1(9Z)/20:2n6),ZQAVPFDERBCAHC-DEDAJHKLSA-N
HMDB51549,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,36,58H,4-16,18-19,22-23,29-32,34-35,37-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,36-33-/t58-/m1/s1",KZXLLQBCWOQVCA,SNINAQTPSA,N,TG(22:1(13Z)/16:1(9Z)/20:3n6),KZXLLQBCWOQVCA-SNINAQTPSA-N
HMDB51550,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,36,41,44,58H,4-16,18-19,22-23,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,36-33-,44-41-/t58-/m1/s1",BSVHWBLKWKRAQS,FHVHSEEWSA,N,"TG(22:1(13Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",BSVHWBLKWKRAQS-FHVHSEEWSA-N
HMDB51551,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,60H,4-15,17-18,20,22-23,29-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t60-/m1/s1",KGIVQHRXQYBBBF,DQNLWXPUSA,N,"TG(22:1(13Z)/16:1(9Z)/22:2(13Z,16Z))",KGIVQHRXQYBBBF-DQNLWXPUSA-N
HMDB51552,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,33,38,40,60H,4-15,17-18,20,22-23,29-30,32,34-37,39,41-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,33-31-,40-38-/t60-/m1/s1",ZNAJMOCCTZFALW,WQUMFGDKSA,N,"TG(22:1(13Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",ZNAJMOCCTZFALW-WQUMFGDKSA-N
HMDB51553,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,33,38,40,46,49,60H,4-15,17-18,20,22-23,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,33-31-,40-38-,49-46-/t60-/m1/s1",PLKPPXVIUFFQLR,QFCUOQIRSA,N,"TG(22:1(13Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PLKPPXVIUFFQLR-QFCUOQIRSA-N
HMDB51554,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-/t56-/m1/s1",OXBVVZWTSCMBLN,PMAOKSDMSA,N,"TG(22:1(13Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",OXBVVZWTSCMBLN-PMAOKSDMSA-N
HMDB51555,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,36,39,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-,39-36-/t56-/m1/s1",VWRHKCZGHSYVBA,YLNCBWGBSA,N,"TG(22:1(13Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",VWRHKCZGHSYVBA-YLNCBWGBSA-N
HMDB51556,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,58H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-/t58-/m1/s1",FRRKPYVDPOQKFS,RNBRVHEASA,N,"TG(22:1(13Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",FRRKPYVDPOQKFS-RNBRVHEASA-N
HMDB51557,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,41,44,58H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-,44-41-/t58-/m1/s1",OPGHCYSDCFYWNL,HFBAINLFSA,N,"TG(22:1(13Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",OPGHCYSDCFYWNL-HFBAINLFSA-N
HMDB51558,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,33,38,40,60H,4-6,8-9,11-15,17-18,20,22-23,29-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,33-31-,40-38-/t60-/m1/s1",DOXSPKQGAPNMGB,ZEWZTSPZSA,N,"TG(22:1(13Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DOXSPKQGAPNMGB-ZEWZTSPZSA-N
HMDB51559,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,33,38,40,46,49,60H,4-6,8-9,11-15,17-18,20,22-23,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,33-31-,40-38-,49-46-/t60-/m1/s1",CEJOBDUANZCCOB,IHIVVMQCSA,N,"TG(22:1(13Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CEJOBDUANZCCOB-IHIVVMQCSA-N
HMDB51560,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,57H,4-20,22-23,26,28-56H2,1-3H3/b24-21-,27-25-/t57-/m1/s1",LQPSWGXHWSIHNS,WOQPDSBWSA,N,TG(22:1(13Z)/16:1(9Z)/o-18:0),LQPSWGXHWSIHNS-WOQPDSBWSA-N
HMDB51561,996.908491572,C65H120O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,62H,4-20,22-23,27,30-61H2,1-3H3/b24-21-,28-25-,29-26-",HTXRBEDVXNDXBO,HGKIKGFLSA,N,TG(22:1(13Z)/18:1(11Z)/22:1(13Z)),HTXRBEDVXNDXBO-HGKIKGFLSA-N
HMDB51562,1024.939791713,C67H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,64H,4-20,22-23,27,30-63H2,1-3H3/b24-21-,28-25-,29-26-/t64-/m0/s1",SIZPQQKIQOZFIV,QTDGRMPHSA,N,TG(22:1(13Z)/18:1(11Z)/24:1(15Z)),SIZPQQKIQOZFIV-QTDGRMPHSA-N
HMDB51563,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,32,58H,4-16,18-19,22-23,27,29-31,33-57H2,1-3H3/b20-17-,24-21-,28-25-,32-26-/t58-/m1/s1",MTZJVBULFGKJAO,YZDRKDPZSA,N,"TG(22:1(13Z)/18:1(11Z)/18:2(9Z,12Z))",MTZJVBULFGKJAO-YZDRKDPZSA-N
HMDB51564,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,32,38,41,58H,4-16,18-19,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,28-25-,32-26-,41-38-/t58-/m1/s1",SZAJUWMNGSVHNB,KMYHUXHLSA,N,"TG(22:1(13Z)/18:1(11Z)/18:3(6Z,9Z,12Z))",SZAJUWMNGSVHNB-KMYHUXHLSA-N
HMDB51565,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,60H,4-16,18-19,22-23,27,30-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-/t60-/m1/s1",IHZYTFVUDKSYSQ,FJJSSVLFSA,N,TG(22:1(13Z)/18:1(11Z)/20:2n6),IHZYTFVUDKSYSQ-FJJSSVLFSA-N
HMDB51566,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,35,37,60H,4-16,18-19,22-23,27,30-34,36,38-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-35-/t60-/m1/s1",ZLWQYLIHICZAQN,KWWLSZTKSA,N,TG(22:1(13Z)/18:1(11Z)/20:3n6),ZLWQYLIHICZAQN-KWWLSZTKSA-N
HMDB51567,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,35,37,43,46,60H,4-16,18-19,22-23,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-35-,46-43-/t60-/m1/s1",SEYKPSIUYHSDMB,DLSZPKIBSA,N,"TG(22:1(13Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",SEYKPSIUYHSDMB-DLSZPKIBSA-N
HMDB51568,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,62H,4-15,17-18,20,22-23,27,30-61H2,1-3H3/b19-16-,24-21-,28-25-,29-26-/t62-/m1/s1",KQHRFTLIMFTQSE,QKXAJFFRSA,N,"TG(22:1(13Z)/18:1(11Z)/22:2(13Z,16Z))",KQHRFTLIMFTQSE-QKXAJFFRSA-N
HMDB51569,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,32,34,39,42,62H,4-15,17-18,20,22-23,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,42-39-/t62-/m1/s1",HOTGKBYLNQOXNT,CBIBEHNISA,N,"TG(22:1(13Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",HOTGKBYLNQOXNT-CBIBEHNISA-N
HMDB51570,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,32,34,39,42,48,51,62H,4-15,17-18,20,22-23,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,42-39-,51-48-/t62-/m1/s1",XIBLBQZYQHVXBG,PLSCAHQQSA,N,"TG(22:1(13Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XIBLBQZYQHVXBG-PLSCAHQQSA-N
HMDB51571,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,32,58H,4-7,9-10,12-16,18-19,22-23,27,29-31,33-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,32-26-/t58-/m1/s1",KLNDEMHRIMYIBJ,SMIIBKPVSA,N,"TG(22:1(13Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",KLNDEMHRIMYIBJ-SMIIBKPVSA-N
HMDB51572,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,32,38,41,58H,4-7,9-10,12-16,18-19,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,32-26-,41-38-/t58-/m1/s1",ZPLWMUWVETYVNW,GXJYKIBRSA,N,"TG(22:1(13Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",ZPLWMUWVETYVNW-GXJYKIBRSA-N
HMDB51573,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,35,37,60H,4-7,9-10,12-16,18-19,22-23,27,30-34,36,38-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-35-/t60-/m1/s1",BICJWANPZUYADQ,GOPIJOIKSA,N,"TG(22:1(13Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",BICJWANPZUYADQ-GOPIJOIKSA-N
HMDB51574,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,35,37,43,46,60H,4-7,9-10,12-16,18-19,22-23,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-35-,46-43-/t60-/m1/s1",JZAKOHONCARTTC,UKWITPRBSA,N,"TG(22:1(13Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JZAKOHONCARTTC-UKWITPRBSA-N
HMDB51575,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,32,34,39,42,62H,4-6,8-9,11-15,17-18,20,22-23,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,42-39-/t62-/m1/s1",ZVPSOJRBGBNURQ,DEQRHYGXSA,N,"TG(22:1(13Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZVPSOJRBGBNURQ-DEQRHYGXSA-N
HMDB51576,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,32,34,39,42,48,51,62H,4-6,8-9,11-15,17-18,20,22-23,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,42-39-,51-48-/t62-/m1/s1",AANHDBNUIKYXLN,OKUWMSBNSA,N,"TG(22:1(13Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AANHDBNUIKYXLN-OKUWMSBNSA-N
HMDB51577,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h21,24-25,28,59H,4-20,22-23,26-27,29-58H2,1-3H3/b24-21-,28-25-/t59-/m1/s1",OKBVCTPHTHIETD,QNSGHZAOSA,N,TG(22:1(13Z)/18:1(11Z)/o-18:0),OKBVCTPHTHIETD-QNSGHZAOSA-N
HMDB51578,996.908491572,C65H120O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-29,36,62H,4-24,30-35,37-61H2,1-3H3/b28-25-,29-26-,36-27-",ORGIHWPKLCKFKC,OBVJRCHMSA,N,TG(22:1(13Z)/18:1(9Z)/22:1(13Z)),ORGIHWPKLCKFKC-OBVJRCHMSA-N
HMDB51579,1024.939791713,C67H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,38,64H,4-24,30-37,39-63H2,1-3H3/b28-25-,29-26-,38-27-/t64-/m0/s1",KELMISXCQBUULO,UFLHTENWSA,N,TG(22:1(13Z)/18:1(9Z)/24:1(15Z)),KELMISXCQBUULO-UFLHTENWSA-N
HMDB51580,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,25-28,32-33,58H,4-16,18-19,21-24,29-31,34-57H2,1-3H3/b20-17-,28-25-,32-26-,33-27-/t58-/m1/s1",JINIMSFSEKJDPB,QKDFGVCKSA,N,"TG(22:1(13Z)/18:1(9Z)/18:2(9Z,12Z))",JINIMSFSEKJDPB-QKDFGVCKSA-N
HMDB51581,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,25-28,32-33,38,41,58H,4-16,18-19,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b20-17-,28-25-,32-26-,33-27-,41-38-/t58-/m1/s1",CGDZVRXZTZZICO,XTKHRPQPSA,N,"TG(22:1(13Z)/18:1(9Z)/18:3(6Z,9Z,12Z))",CGDZVRXZTZZICO-XTKHRPQPSA-N
HMDB51582,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,60H,4-16,18-19,21-24,30-33,35-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-/t60-/m1/s1",JTHJRVKYZXTUQN,HQAASMSZSA,N,TG(22:1(13Z)/18:1(9Z)/20:2n6),JTHJRVKYZXTUQN-HQAASMSZSA-N
HMDB51583,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34-35,37,60H,4-16,18-19,21-24,30-33,36,38-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,37-35-/t60-/m1/s1",LDQMUQGHUBNDTF,GTUCKFPMSA,N,TG(22:1(13Z)/18:1(9Z)/20:3n6),LDQMUQGHUBNDTF-GTUCKFPMSA-N
HMDB51584,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34-35,37,43,46,60H,4-16,18-19,21-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",UFGDTAVYJRCYSY,DHVBBUFVSA,N,"TG(22:1(13Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",UFGDTAVYJRCYSY-DHVBBUFVSA-N
HMDB51585,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,36,62H,4-15,17-18,20-24,30-35,37-61H2,1-3H3/b19-16-,28-25-,29-26-,36-27-/t62-/m1/s1",KGECRIBKHLSBQG,CIJSQZROSA,N,"TG(22:1(13Z)/18:1(9Z)/22:2(13Z,16Z))",KGECRIBKHLSBQG-CIJSQZROSA-N
HMDB51586,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32,34,36,39,42,62H,4-15,17-18,20-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,36-27-,42-39-/t62-/m1/s1",PQCRSBKXSNRASE,QHJIGJHWSA,N,"TG(22:1(13Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",PQCRSBKXSNRASE-QHJIGJHWSA-N
HMDB51587,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32,34,36,39,42,48,51,62H,4-15,17-18,20-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",ZDPZTTAAVBVPTJ,JSPBNBEFSA,N,"TG(22:1(13Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZDPZTTAAVBVPTJ-JSPBNBEFSA-N
HMDB51588,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32-33,58H,4-7,9-10,12-16,18-19,21-24,29-31,34-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,33-27-/t58-/m1/s1",GPLAMNFZBQDELR,QOVMPKEASA,N,"TG(22:1(13Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",GPLAMNFZBQDELR-QOVMPKEASA-N
HMDB51589,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32-33,38,41,58H,4-7,9-10,12-16,18-19,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,33-27-,41-38-/t58-/m1/s1",PUPJOWKAHAXCCJ,OSDQVFLYSA,N,"TG(22:1(13Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",PUPJOWKAHAXCCJ-OSDQVFLYSA-N
HMDB51590,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34-35,37,60H,4-7,9-10,12-16,18-19,21-24,30-33,36,38-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,37-35-/t60-/m1/s1",SWRZTLLFJSEQMV,BRDXCCORSA,N,"TG(22:1(13Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",SWRZTLLFJSEQMV-BRDXCCORSA-N
HMDB51591,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34-35,37,43,46,60H,4-7,9-10,12-16,18-19,21-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",FFDMAFKNMIQJTB,XULQZTQMSA,N,"TG(22:1(13Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FFDMAFKNMIQJTB-XULQZTQMSA-N
HMDB51592,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32,34,36,39,42,62H,4-6,8-9,11-15,17-18,20-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,36-27-,42-39-/t62-/m1/s1",BLJDANHDSBRECG,ZORFOBPKSA,N,"TG(22:1(13Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BLJDANHDSBRECG-ZORFOBPKSA-N
HMDB51593,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32,34,36,39,42,48,51,62H,4-6,8-9,11-15,17-18,20-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",MSIDFTHDFGCWML,MRZXOKOISA,N,"TG(22:1(13Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MSIDFTHDFGCWML-MRZXOKOISA-N
HMDB51594,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h25,27-28,33,59H,4-24,26,29-32,34-58H2,1-3H3/b28-25-,33-27-/t59-/m1/s1",WAOXSFHCGYXKMU,SGRYFNBKSA,N,TG(22:1(13Z)/18:1(9Z)/o-18:0),WAOXSFHCGYXKMU-SGRYFNBKSA-N
HMDB51595,1024.9397917,C67H124O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,64H,4-24,31-63H2,1-3H3/b28-25-,29-26-,30-27-",CPPZQTMBICOAJQ,IUPFWZBJSA,N,TG(22:1(13Z)/20:1(11Z)/22:1(13Z)),CPPZQTMBICOAJQ-IUPFWZBJSA-N
HMDB51596,1052.971091842,C69H128O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-/t66-/m0/s1",OOLPGVPILTXUGF,WUXMUEHPSA,N,TG(22:1(13Z)/20:1(11Z)/24:1(15Z)),OOLPGVPILTXUGF-WUXMUEHPSA-N
HMDB51597,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34,60H,4-17,19-20,22-24,30-33,35-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",PDCZMYYCRMCWTG,HEARNLHVSA,N,"TG(22:1(13Z)/20:1(11Z)/18:2(9Z,12Z))",PDCZMYYCRMCWTG-HEARNLHVSA-N
HMDB51598,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34,40,43,60H,4-17,19-20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",UHCRYPFJSBIIRR,ZQCAJQTISA,N,"TG(22:1(13Z)/20:1(11Z)/18:3(6Z,9Z,12Z))",UHCRYPFJSBIIRR-ZQCAJQTISA-N
HMDB51599,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,62H,4-16,18-19,21-24,31-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-/t62-/m1/s1",QBEJVANDCVSYGE,ZKIJAYIWSA,N,TG(22:1(13Z)/20:1(11Z)/20:2n6),QBEJVANDCVSYGE-ZKIJAYIWSA-N
HMDB51600,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,39,62H,4-16,18-19,21-24,31-35,37-38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",GLXODIVJNKTTIR,RDNLFZEXSA,N,TG(22:1(13Z)/20:1(11Z)/20:3n6),GLXODIVJNKTTIR-RDNLFZEXSA-N
HMDB51601,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,39,45,48,62H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",NYLJFQRMTUTPTA,UZZHSTERSA,N,"TG(22:1(13Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",NYLJFQRMTUTPTA-UZZHSTERSA-N
HMDB51602,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,64H,4-15,17-18,20-24,31-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-/t64-/m1/s1",YPKKZFQCFDXVRZ,SMNFTDKCSA,N,"TG(22:1(13Z)/20:1(11Z)/22:2(13Z,16Z))",YPKKZFQCFDXVRZ-SMNFTDKCSA-N
HMDB51603,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,41,44,64H,4-15,17-18,20-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,44-41-/t64-/m1/s1",PEOPLGPHPLCDQV,HCIPGIJHSA,N,"TG(22:1(13Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",PEOPLGPHPLCDQV-HCIPGIJHSA-N
HMDB51604,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,41,44,50,53,64H,4-15,17-18,20-24,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-/t64-/m1/s1",SSZRDROTFAMDHX,VGIHHJNLSA,N,"TG(22:1(13Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SSZRDROTFAMDHX-VGIHHJNLSA-N
HMDB51605,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",ANCUFEBJPNGQKK,PJTKLRLGSA,N,"TG(22:1(13Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",ANCUFEBJPNGQKK-PJTKLRLGSA-N
HMDB51606,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,40,43,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",RMAOBGGCPVHDLB,XRXGBTCISA,N,"TG(22:1(13Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",RMAOBGGCPVHDLB-XRXGBTCISA-N
HMDB51607,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,39,62H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",QKAHSYWANXKDAD,LFRLAHMGSA,N,"TG(22:1(13Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",QKAHSYWANXKDAD-LFRLAHMGSA-N
HMDB51608,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",SUBAYYJAAHKLAJ,LRDPHWEJSA,N,"TG(22:1(13Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SUBAYYJAAHKLAJ-LRDPHWEJSA-N
HMDB51609,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,41,44,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,44-41-/t64-/m1/s1",FNHIGTILLACIIV,AGTFGGNZSA,N,"TG(22:1(13Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FNHIGTILLACIIV-AGTFGGNZSA-N
HMDB51610,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,41,44,50,53,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-/t64-/m1/s1",IDXNXNUVHUXSQJ,LYIZYKSZSA,N,"TG(22:1(13Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IDXNXNUVHUXSQJ-LYIZYKSZSA-N
HMDB51611,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,61H,4-24,27,30-60H2,1-3H3/b28-25-,29-26-/t61-/m1/s1",CTLXHWRJDCSACX,YIBOVCKLSA,N,TG(22:1(13Z)/20:1(11Z)/o-18:0),CTLXHWRJDCSACX-YIBOVCKLSA-N
HMDB51612,1020.908491572,C67H120O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,40,43,49,52,64H,4-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b28-25-,29-26-,30-27-,43-40-,52-49-",UGXPAMTUMNETJT,LQHJZZPOSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:1(13Z))",UGXPAMTUMNETJT-LQHJZZPOSA-N
HMDB51613,1048.939791713,C69H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,42,45,51,54,66H,4-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b28-25-,29-26-,30-27-,45-42-,54-51-/t66-/m0/s1",PZMYVKJIRXGZHA,YBOLWBFLSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/24:1(15Z))",PZMYVKJIRXGZHA-YBOLWBFLSA-N
HMDB51614,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34,36,39,45,48,60H,4-17,19-20,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",RHAIVLSTPJTGRI,ZVAVANMKSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",RHAIVLSTPJTGRI-ZVAVANMKSA-N
HMDB51615,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34,36,39-40,43,45,48,60H,4-17,19-20,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",SQKXKVKTLLWREW,PNHFWFEOSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",SQKXKVKTLLWREW-PNHFWFEOSA-N
HMDB51616,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,38,41,47,50,62H,4-16,18-19,21-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,50-47-/t62-/m1/s1",GSAQRVVKTOYQNN,DORNLZJESA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:2n6)",GSAQRVVKTOYQNN-DORNLZJESA-N
HMDB51617,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,38-39,41,47,50,62H,4-16,18-19,21-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",AHIIZWGYEFAJKR,ZLDJUJGOSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:3n6)",AHIIZWGYEFAJKR-ZLDJUJGOSA-N
HMDB51618,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,38-39,41,45,47-48,50,62H,4-16,18-19,21-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",QJTYEWQYLJKJNI,ZKFZQQDWSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",QJTYEWQYLJKJNI-ZKFZQQDWSA-N
HMDB51619,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,40,43,49,52,64H,4-15,17-18,20-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,43-40-,52-49-/t64-/m1/s1",WIUXYKFWKASIOA,DNSDYMQNSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",WIUXYKFWKASIOA-DNSDYMQNSA-N
HMDB51620,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,40-41,43-44,49,52,64H,4-15,17-18,20-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",ADIJCKNOBOLHET,GYQMMSOOSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",ADIJCKNOBOLHET-GYQMMSOOSA-N
HMDB51621,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-15,17-18,20-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",DVTGPOXMBXQMTG,ODJIDXBMSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DVTGPOXMBXQMTG-ODJIDXBMSA-N
HMDB51622,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",AXHCOTMQTOPFRX,ZHBDHQLQSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",AXHCOTMQTOPFRX-ZHBDHQLQSA-N
HMDB51623,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,36,39-40,43,45,48,60H,4-8,10-11,13-17,19-20,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",PFJYUMJZKKKZDO,ODCYVJEASA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",PFJYUMJZKKKZDO-ODCYVJEASA-N
HMDB51624,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,38-39,41,47,50,62H,4-7,9-10,12-16,18-19,21-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",KFRMMJSDSAELHR,CBTYLMMQSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",KFRMMJSDSAELHR-CBTYLMMQSA-N
HMDB51625,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-16,18-19,21-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",RVEQJJQLHDJXHB,LMUSXWRWSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RVEQJJQLHDJXHB-LMUSXWRWSA-N
HMDB51626,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",KQOKRLPZAJIGNK,XRURXHITSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KQOKRLPZAJIGNK-XRURXHITSA-N
HMDB51627,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",AHDUKQHXRFPQAL,WJWHVEMQSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AHDUKQHXRFPQAL-WJWHVEMQSA-N
HMDB51628,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,36,39,45,48,61H,4-24,27,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b28-25-,29-26-,39-36-,48-45-/t61-/m1/s1",JMSQUIMJQZICKW,JQYGDSFPSA,N,"TG(22:1(13Z)/20:3(5Z,8Z,11Z)/o-18:0)",JMSQUIMJQZICKW-JQYGDSFPSA-N
HMDB51629,1052.971091828,C69H128O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-",XDSPGKDYYRNYJI,IUPFWZBJSA,N,TG(22:1(13Z)/22:1(13Z)/22:1(13Z)),XDSPGKDYYRNYJI-IUPFWZBJSA-N
HMDB51630,1081.00239197,C71H132O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-30,68H,4-24,31-67H2,1-3H3/b28-25-,29-26-,30-27-/t68-/m0/s1",MLLDBWTWOIQIKA,OZUXDMSKSA,N,TG(22:1(13Z)/22:1(13Z)/24:1(15Z)),MLLDBWTWOIQIKA-OZUXDMSKSA-N
HMDB51631,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,62H,4-17,19-20,22-24,30-35,37-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",BYBOXKCPMMDCMU,WQNRFPPVSA,N,"TG(22:1(13Z)/22:1(13Z)/18:2(9Z,12Z))",BYBOXKCPMMDCMU-WQNRFPPVSA-N
HMDB51632,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,42,45,62H,4-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",NXMBICMUZLNNBM,PCQNZSPSSA,N,"TG(22:1(13Z)/22:1(13Z)/18:3(6Z,9Z,12Z))",NXMBICMUZLNNBM-PCQNZSPSSA-N
HMDB51633,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,64H,4-17,19-20,22-24,31-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-/t64-/m1/s1",CCAPCPMRCZWVGW,MPSZHOFOSA,N,TG(22:1(13Z)/22:1(13Z)/20:2n6),CCAPCPMRCZWVGW-MPSZHOFOSA-N
HMDB51634,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,41,64H,4-17,19-20,22-24,31-37,39-40,42-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",INMNICPDEOKDDB,FGCIPZGESA,N,TG(22:1(13Z)/22:1(13Z)/20:3n6),INMNICPDEOKDDB-FGCIPZGESA-N
HMDB51635,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,41,47,50,64H,4-17,19-20,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",NVBIXSUYWLEAED,ZBOUFZQSSA,N,"TG(22:1(13Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",NVBIXSUYWLEAED-ZBOUFZQSSA-N
HMDB51636,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,66H,4-15,17-18,20-24,31-65H2,1-3H3/b19-16-,28-25-,29-26-,30-27-/t66-/m1/s1",JOPQHPYVDMGMRT,NDEQTGHDSA,N,"TG(22:1(13Z)/22:1(13Z)/22:2(13Z,16Z))",JOPQHPYVDMGMRT-NDEQTGHDSA-N
HMDB51637,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,37,43,46,66H,4-15,17-18,20-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,46-43-/t66-/m1/s1",RKJWIVRLGYGPBD,OFSBBFQZSA,N,"TG(22:1(13Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",RKJWIVRLGYGPBD-OFSBBFQZSA-N
HMDB51638,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,37,43,46,52,55,66H,4-15,17-18,20-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t66-/m1/s1",WJBZCEZIEJXGJZ,UTGRPPEVSA,N,"TG(22:1(13Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WJBZCEZIEJXGJZ-UTGRPPEVSA-N
HMDB51639,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",CHDLKLVJLKZZRW,GWSCBAOTSA,N,"TG(22:1(13Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",CHDLKLVJLKZZRW-GWSCBAOTSA-N
HMDB51640,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",FFJXWYQLLKTOLZ,ZMVCFNQWSA,N,"TG(22:1(13Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",FFJXWYQLLKTOLZ-ZMVCFNQWSA-N
HMDB51641,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,41,64H,4-8,10-11,13-17,19-20,22-24,31-37,39-40,42-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",OXFNSFRSFKQCSP,LJOLCJIUSA,N,"TG(22:1(13Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",OXFNSFRSFKQCSP-LJOLCJIUSA-N
HMDB51642,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,41,47,50,64H,4-8,10-11,13-17,19-20,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",IUBRHUNDQZHUGN,RMJHPTKOSA,N,"TG(22:1(13Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IUBRHUNDQZHUGN-RMJHPTKOSA-N
HMDB51643,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,37,43,46,66H,4-6,8-9,11-15,17-18,20-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,46-43-/t66-/m1/s1",WKLITDGZHMRYLJ,UAROVEFESA,N,"TG(22:1(13Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WKLITDGZHMRYLJ-UAROVEFESA-N
HMDB51644,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,37,43,46,52,55,66H,4-6,8-9,11-15,17-18,20-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t66-/m1/s1",OBIIUKXXKWJICP,FRADYEPYSA,N,"TG(22:1(13Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OBIIUKXXKWJICP-FRADYEPYSA-N
HMDB51645,984.944877093,C65H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,63H,4-24,27,30-62H2,1-3H3/b28-25-,29-26-/t63-/m1/s1",QTJNGIXNXIHHQI,WTIKSZMJSA,N,TG(22:1(13Z)/22:1(13Z)/o-18:0),QTJNGIXNXIHHQI-WTIKSZMJSA-N
HMDB51646,1081.002391956,C71H132O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h25-30,68H,4-24,31-67H2,1-3H3/b28-25-,29-26-,30-27-",SJDVHZXPUNYTQO,IUPFWZBJSA,N,TG(22:1(13Z)/24:1(15Z)/22:1(13Z)),SJDVHZXPUNYTQO-IUPFWZBJSA-N
HMDB51647,1109.033692099,C73H136O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,70H,4-24,31-69H2,1-3H3/b28-25-,29-26-,30-27-/t70-/m0/s1",BLYCDAQRXKRXMJ,GUAPMSOKSA,N,TG(22:1(13Z)/24:1(15Z)/24:1(15Z)),BLYCDAQRXKRXMJ-GUAPMSOKSA-N
HMDB51648,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,38,64H,4-17,19-20,22-24,30-37,39-63H2,1-3H3/b21-18-,28-25-,29-26-,38-27-/t64-/m1/s1",WYDTUBMHTWPFHQ,MLCGYBJYSA,N,"TG(22:1(13Z)/24:1(15Z)/18:2(9Z,12Z))",WYDTUBMHTWPFHQ-MLCGYBJYSA-N
HMDB51649,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,38,44,47,64H,4-17,19-20,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b21-18-,28-25-,29-26-,38-27-,47-44-/t64-/m1/s1",UNJIYEOJBVVXQH,HGJAMXGCSA,N,"TG(22:1(13Z)/24:1(15Z)/18:3(6Z,9Z,12Z))",UNJIYEOJBVVXQH-HGJAMXGCSA-N
HMDB51650,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,66H,4-17,19-20,22-24,31-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-/t66-/m1/s1",LOWIMYUZIJQPJP,XILXBQAESA,N,TG(22:1(13Z)/24:1(15Z)/20:2n6),LOWIMYUZIJQPJP-XILXBQAESA-N
HMDB51651,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,66H,4-17,19-20,22-24,31-39,41-42,44-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-/t66-/m1/s1",SPDVZLDZSPCCMG,BEXZOFNUSA,N,TG(22:1(13Z)/24:1(15Z)/20:3n6),SPDVZLDZSPCCMG-BEXZOFNUSA-N
HMDB51652,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,49,52,66H,4-17,19-20,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",WKOMFLMFDYKGIU,SLRDYTRJSA,N,"TG(22:1(13Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",WKOMFLMFDYKGIU-SLRDYTRJSA-N
HMDB51653,1078.986741906,C71H130O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,68H,4-16,18-19,21-24,31-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-/t68-/m1/s1",SCBUHTDQVXHNPK,RLRICTHSSA,N,"TG(22:1(13Z)/24:1(15Z)/22:2(13Z,16Z))",SCBUHTDQVXHNPK-RLRICTHSSA-N
HMDB51654,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,36,39,45,48,68H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",OOVAFMCBNCEZQX,LXXRPXJHSA,N,"TG(22:1(13Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",OOVAFMCBNCEZQX-LXXRPXJHSA-N
HMDB51655,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,36,39,45,48,54,57,68H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",WEJZRSNBYWWKHZ,ASIZRCLZSA,N,"TG(22:1(13Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WEJZRSNBYWWKHZ-ASIZRCLZSA-N
HMDB51656,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-/t64-/m1/s1",LRBGAQVUAIYIAH,HWEUYZRJSA,N,"TG(22:1(13Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",LRBGAQVUAIYIAH-HWEUYZRJSA-N
HMDB51657,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,44,47,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-,47-44-/t64-/m1/s1",ZXAQRCQMNFLXLA,NPAIRWJUSA,N,"TG(22:1(13Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",ZXAQRCQMNFLXLA-NPAIRWJUSA-N
HMDB51658,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,66H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-/t66-/m1/s1",XYZDJVNJTLLEBB,BLLJXCCUSA,N,"TG(22:1(13Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",XYZDJVNJTLLEBB-BLLJXCCUSA-N
HMDB51659,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",FVGCLNHYTMKBAI,KEWASIEZSA,N,"TG(22:1(13Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FVGCLNHYTMKBAI-KEWASIEZSA-N
HMDB51660,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",PVXZZKMNLRLEPB,ROBGRCIMSA,N,"TG(22:1(13Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PVXZZKMNLRLEPB-ROBGRCIMSA-N
HMDB51661,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",SDUVZCKZXLTWBR,KMTGEPQNSA,N,"TG(22:1(13Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SDUVZCKZXLTWBR-KMTGEPQNSA-N
HMDB51662,1012.976177222,C67H128O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,65H,4-24,27,30-64H2,1-3H3/b28-25-,29-26-/t65-/m1/s1",WXAOGQSWRSKXPO,IVANLCEYSA,N,TG(22:1(13Z)/24:1(15Z)/o-18:0),WXAOGQSWRSKXPO-IVANLCEYSA-N
HMDB51663,994.89284152,C65H118O6,[H]C(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,62H,4-17,19-20,22-24,30-35,37-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-",RJUXBSCGCUXZOQ,RTRXXMEOSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/22:1(13Z))",RJUXBSCGCUXZOQ-RTRXXMEOSA-N
HMDB51664,1022.924141648,C67H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,38,64H,4-17,19-20,22-24,30-37,39-63H2,1-3H3/b21-18-,28-25-,29-26-,38-27-/t64-/m0/s1",FPCLOFUMZNXYTO,KZWLPDLPSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/24:1(15Z))",FPCLOFUMZNXYTO-KZWLPDLPSA-N
HMDB51665,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,32-33,58H,4-16,19,22-24,29-31,34-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-/t58-/m1/s1",BMAGIXXDTYUYPM,LOVNWGOKSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",BMAGIXXDTYUYPM-LOVNWGOKSA-N
HMDB51666,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,32-33,38,41,58H,4-16,19,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-,41-38-/t58-/m1/s1",DPILHOUCGNPZNU,PBUZJNLJSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",DPILHOUCGNPZNU-PBUZJNLJSA-N
HMDB51667,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,60H,4-16,19,22-24,30-33,35-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",SZJQKGFMCYFPGP,XLVSEXCPSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/20:2n6)",SZJQKGFMCYFPGP-XLVSEXCPSA-N
HMDB51668,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,37,60H,4-16,19,22-24,30-33,36,38-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,37-35-/t60-/m1/s1",CUSUSJFFOGKHBB,YDBHCJRHSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/20:3n6)",CUSUSJFFOGKHBB-YDBHCJRHSA-N
HMDB51669,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,37,43,46,60H,4-16,19,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",FYYKNHMLZOFEHT,RZLAVSSMSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",FYYKNHMLZOFEHT-RZLAVSSMSA-N
HMDB51670,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,36,62H,4-15,17,20,22-24,30-35,37-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",WQXPRMXISJSSPD,KOSYWHTKSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/22:2(13Z,16Z))",WQXPRMXISJSSPD-KOSYWHTKSA-N
HMDB51671,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,39,42,62H,4-15,17,20,22-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-/t62-/m1/s1",JSTMARFMSKTMMI,YKLNRPAFSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",JSTMARFMSKTMMI-YKLNRPAFSA-N
HMDB51672,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,39,42,48,51,62H,4-15,17,20,22-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",HUYVXBOJDJHYHN,BDUSDXKISA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HUYVXBOJDJHYHN-BDUSDXKISA-N
HMDB51673,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,32-33,58H,4-7,9-10,12-16,19,22-24,29-31,34-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-/t58-/m1/s1",UXMAPEORINGDCF,ZPTLZCNXSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",UXMAPEORINGDCF-ZPTLZCNXSA-N
HMDB51674,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,32-33,38,41,58H,4-7,9-10,12-16,19,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-/t58-/m1/s1",LEVYBSQMKKHLDF,JZIIIXNTSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",LEVYBSQMKKHLDF-JZIIIXNTSA-N
HMDB51675,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34-35,37,60H,4-7,9-10,12-16,19,22-24,30-33,36,38-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-/t60-/m1/s1",YYILKZFWLKRMSS,MEZQZAMBSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",YYILKZFWLKRMSS-MEZQZAMBSA-N
HMDB51676,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34-35,37,43,46,60H,4-7,9-10,12-16,19,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",QPELGHLJZRAEJZ,GESHDORNSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QPELGHLJZRAEJZ-GESHDORNSA-N
HMDB51677,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32,34,36,39,42,62H,4-6,8-9,11-15,17,20,22-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-/t62-/m1/s1",HCQPLOPZFMHYMW,QSBCJLDHSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HCQPLOPZFMHYMW-QSBCJLDHSA-N
HMDB51678,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32,34,36,39,42,48,51,62H,4-6,8-9,11-15,17,20,22-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",AVRTVUSZZNJUGX,RDCTZDHFSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AVRTVUSZZNJUGX-RDCTZDHFSA-N
HMDB51679,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,33,59H,4-17,19-20,22-24,26,29-32,34-58H2,1-3H3/b21-18-,28-25-,33-27-/t59-/m1/s1",VBIJXNNOTQKKMT,KMJYMJAJSA,N,"TG(22:1(13Z)/18:2(9Z,12Z)/o-18:0)",VBIJXNNOTQKKMT-KMJYMJAJSA-N
HMDB51680,992.877191444,C65H116O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,44,47,62H,4-17,19-20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,47-44-",NYPSXIIEWXVZCB,CFOBINOCSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:1(13Z))",NYPSXIIEWXVZCB-CFOBINOCSA-N
HMDB51681,1020.908491584,C67H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,38,46,49,64H,4-17,19-20,22-24,30-37,39-45,47-48,50-63H2,1-3H3/b21-18-,28-25-,29-26-,38-27-,49-46-/t64-/m0/s1",SBJPVAPTJVNMHH,QUHDAEPDSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/24:1(15Z))",SBJPVAPTJVNMHH-QUHDAEPDSA-N
HMDB51682,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,32-33,40,43,58H,4-16,19,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-,43-40-/t58-/m1/s1",MOEUWXJDSVQRAL,DMGVHWKBSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",MOEUWXJDSVQRAL-DMGVHWKBSA-N
HMDB51683,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,32-33,38,40-41,43,58H,4-16,19,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-/t58-/m1/s1",XVAJMDCFUSZJIP,TUBFWVSPSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",XVAJMDCFUSZJIP-TUBFWVSPSA-N
HMDB51684,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,42,45,60H,4-16,19,22-24,30-33,35-41,43-44,46-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,45-42-/t60-/m1/s1",PKRMTWZVLNHVCA,ZWMBMBCSSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:2n6)",PKRMTWZVLNHVCA-ZWMBMBCSSA-N
HMDB51685,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,37,42,45,60H,4-16,19,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-/t60-/m1/s1",ZDGPSLXDSWGKIC,YEZHDJTHSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:3n6)",ZDGPSLXDSWGKIC-YEZHDJTHSA-N
HMDB51686,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,37,42-43,45-46,60H,4-16,19,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1",YOKRIONVIOTDSJ,LNNOEQMBSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",YOKRIONVIOTDSJ-LNNOEQMBSA-N
HMDB51687,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,36,44,47,62H,4-15,17,20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,36-27-,47-44-/t62-/m1/s1",HJVYHTZXVCLCPA,MXJONORNSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",HJVYHTZXVCLCPA-MXJONORNSA-N
HMDB51688,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,39,42,44,47,62H,4-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-/t62-/m1/s1",DLGPWZWKNAWOID,XLJZLTBISA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",DLGPWZWKNAWOID-XLJZLTBISA-N
HMDB51689,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,39,42,44,47-48,51,62H,4-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-/t62-/m1/s1",ONVKMWBNEZKUBS,XAYJCMAISA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ONVKMWBNEZKUBS-XAYJCMAISA-N
HMDB51690,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,32-33,40,43,58H,4-7,9-10,12-16,19,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-,43-40-/t58-/m1/s1",PDAFELZDLNNLKQ,OUSSOHOCSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",PDAFELZDLNNLKQ-OUSSOHOCSA-N
HMDB51691,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,32-33,38,40-41,43,58H,4-7,9-10,12-16,19,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-/t58-/m1/s1",XZIQSPUJCFPDOG,YQFKONKPSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",XZIQSPUJCFPDOG-YQFKONKPSA-N
HMDB51692,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34-35,37,42,45,60H,4-7,9-10,12-16,19,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-/t60-/m1/s1",LQJPCYRTCWFLFO,KTHCYZSRSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",LQJPCYRTCWFLFO-KTHCYZSRSA-N
HMDB51693,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34-35,37,42-43,45-46,60H,4-7,9-10,12-16,19,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1",ITLCIQWCSXSTJO,RGZRHKEBSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ITLCIQWCSXSTJO-RGZRHKEBSA-N
HMDB51694,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32,34,36,39,42,44,47,62H,4-6,8-9,11-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-/t62-/m1/s1",JFVSKSNXIOURSV,BRNRUQKASA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JFVSKSNXIOURSV-BRNRUQKASA-N
HMDB51695,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32,34,36,39,42,44,47-48,51,62H,4-6,8-9,11-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-/t62-/m1/s1",IHTYPZPJIAFGHP,UKVILSMRSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IHTYPZPJIAFGHP-UKVILSMRSA-N
HMDB51696,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,33,40,43,59H,4-17,19-20,22-24,26,29-32,34-39,41-42,44-58H2,1-3H3/b21-18-,28-25-,33-27-,43-40-/t59-/m1/s1",DKJQAINPSUNNDI,ZHZMXFNBSA,N,"TG(22:1(13Z)/18:3(6Z,9Z,12Z)/o-18:0)",DKJQAINPSUNNDI-ZHZMXFNBSA-N
HMDB51697,1022.924141648,C67H122O6,[H]C(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,64H,4-17,19-20,22-24,31-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-",SBTXGGXUMTUWCV,FVCHKXIASA,N,TG(22:1(13Z)/20:2n6/22:1(13Z)),SBTXGGXUMTUWCV-FVCHKXIASA-N
HMDB51698,1050.955441777,C69H126O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,66H,4-17,19-20,22-24,31-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-/t66-/m0/s1",QNKHFCJHGNQFRW,CBJSQLBFSA,N,TG(22:1(13Z)/20:2n6/24:1(15Z)),QNKHFCJHGNQFRW-CBJSQLBFSA-N
HMDB51699,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,60H,4-16,19,22-24,30-33,35-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",VGUNDIMKOJFCKY,XLVSEXCPSA,N,"TG(22:1(13Z)/20:2n6/18:2(9Z,12Z))",VGUNDIMKOJFCKY-XLVSEXCPSA-N
HMDB51700,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,40,43,60H,4-16,19,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",VDRHQUDGPLPDPR,HXPJWBRTSA,N,"TG(22:1(13Z)/20:2n6/18:3(6Z,9Z,12Z))",VDRHQUDGPLPDPR-HXPJWBRTSA-N
HMDB51701,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,62H,4-16,19,22-24,31-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-/t62-/m1/s1",OLHFDLDLBXIABU,JJCFWYBVSA,N,TG(22:1(13Z)/20:2n6/20:2n6),OLHFDLDLBXIABU-JJCFWYBVSA-N
HMDB51702,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,39,62H,4-16,19,22-24,31-35,37-38,40-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",YXHQSSWQQMEEBV,IYXIVXNTSA,N,TG(22:1(13Z)/20:2n6/20:3n6),YXHQSSWQQMEEBV-IYXIVXNTSA-N
HMDB51703,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,39,45,48,62H,4-16,19,22-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",SWOOMZDIIRAQCH,GSULQZTGSA,N,"TG(22:1(13Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))",SWOOMZDIIRAQCH-GSULQZTGSA-N
HMDB51704,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,64H,4-15,17,20,22-24,31-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-/t64-/m1/s1",AWAOHYFWMVQOTJ,DTHJYNDUSA,N,"TG(22:1(13Z)/20:2n6/22:2(13Z,16Z))",AWAOHYFWMVQOTJ-DTHJYNDUSA-N
HMDB51705,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,41,44,64H,4-15,17,20,22-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,44-41-/t64-/m1/s1",GUPKICQCZFLWLY,UFJATHRWSA,N,"TG(22:1(13Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))",GUPKICQCZFLWLY-UFJATHRWSA-N
HMDB51706,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,41,44,50,53,64H,4-15,17,20,22-24,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-/t64-/m1/s1",FHGFVHYGVYNTMY,SJQZXMPWSA,N,"TG(22:1(13Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",FHGFVHYGVYNTMY-SJQZXMPWSA-N
HMDB51707,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,60H,4-8,10-11,13-16,19,22-24,30-33,35-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",KNVSDJVHRPAOCP,QLVRQTKUSA,N,"TG(22:1(13Z)/20:2n6/18:3(9Z,12Z,15Z))",KNVSDJVHRPAOCP-QLVRQTKUSA-N
HMDB51708,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,40,43,60H,4-8,10-11,13-16,19,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",UVBKHWJFZAHZPL,PEHZVEPXSA,N,"TG(22:1(13Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))",UVBKHWJFZAHZPL-PEHZVEPXSA-N
HMDB51709,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,39,62H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",FBBSUSBLHCATFN,FBCJXKTGSA,N,"TG(22:1(13Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))",FBBSUSBLHCATFN-FBCJXKTGSA-N
HMDB51710,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,39,45,48,62H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",RBLFYMDNXBFBGO,DYBIIFDGSA,N,"TG(22:1(13Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",RBLFYMDNXBFBGO-DYBIIFDGSA-N
HMDB51711,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,41,44,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,44-41-/t64-/m1/s1",YNLBXNNEQFEZAI,RDGJQDSFSA,N,"TG(22:1(13Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",YNLBXNNEQFEZAI-RDGJQDSFSA-N
HMDB51712,998.830241262,C66H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,35,40,43,49,52,63H,4-6,8-9,11-15,17,20,22-24,31-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-33-,43-40-,52-49-/t63-/m1/s1",VNPBOUSFGBJKQE,UHDDILLSSA,N,"TG(22:1(13Z)/19:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VNPBOUSFGBJKQE-UHDDILLSSA-N
HMDB51713,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,61H,4-16,18-19,21-24,27,30-60H2,1-3H3/b20-17-,28-25-,29-26-/t61-/m1/s1",PFINDNIYLCOJHX,XKFLIONZSA,N,TG(22:1(13Z)/20:2n6/o-18:0),PFINDNIYLCOJHX-XKFLIONZSA-N
HMDB51714,1020.908491572,C67H120O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,64H,4-17,19-20,22-24,31-39,41-42,44-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-",YDOXFHDZJBCUAC,SXRQMBKPSA,N,TG(22:1(13Z)/20:3n6/22:1(13Z)),YDOXFHDZJBCUAC-SXRQMBKPSA-N
HMDB51715,1048.939791713,C69H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,42,45,66H,4-17,19-20,22-24,31-41,43-44,46-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,45-42-/t66-/m0/s1",BBCYIJJYPZKBLF,CJRHVMGMSA,N,TG(22:1(13Z)/20:3n6/24:1(15Z)),BBCYIJJYPZKBLF-CJRHVMGMSA-N
HMDB51716,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,39,60H,4-16,19,22-24,30-33,35,37-38,40-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,39-36-/t60-/m1/s1",BQXCEUPRWWRHCG,ZOLJBPJSSA,N,"TG(22:1(13Z)/20:3n6/18:2(9Z,12Z))",BQXCEUPRWWRHCG-ZOLJBPJSSA-N
HMDB51717,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,39-40,43,60H,4-16,19,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-/t60-/m1/s1",OCXLDPPSUKQKJO,GXTFUSIFSA,N,"TG(22:1(13Z)/20:3n6/18:3(6Z,9Z,12Z))",OCXLDPPSUKQKJO-GXTFUSIFSA-N
HMDB51718,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,41,62H,4-16,19,22-24,31-37,39-40,42-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-/t62-/m1/s1",CFNUNRCSCASWKZ,ZIUVEPOHSA,N,TG(22:1(13Z)/20:3n6/20:2n6),CFNUNRCSCASWKZ-ZIUVEPOHSA-N
HMDB51719,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,38-39,41,62H,4-16,19,22-24,31-35,37,40,42-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-/t62-/m1/s1",FSJVTHYZAAJTQZ,MCEBKAROSA,N,TG(22:1(13Z)/20:3n6/20:3n6),FSJVTHYZAAJTQZ-MCEBKAROSA-N
HMDB51720,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,38-39,41,45,48,62H,4-16,19,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m1/s1",QGBVNKUAWIGRJU,SONIIVQMSA,N,"TG(22:1(13Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))",QGBVNKUAWIGRJU-SONIIVQMSA-N
HMDB51721,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,40,43,64H,4-15,17,20,22-24,31-39,41-42,44-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,43-40-/t64-/m1/s1",DPMSIJYESVLHOU,UDJDSESOSA,N,"TG(22:1(13Z)/20:3n6/22:2(13Z,16Z))",DPMSIJYESVLHOU-UDJDSESOSA-N
HMDB51722,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,40-41,43-44,64H,4-15,17,20,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-/t64-/m1/s1",JOYLUARQNWOCHN,JWAYRBJKSA,N,"TG(22:1(13Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))",JOYLUARQNWOCHN-JWAYRBJKSA-N
HMDB51723,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,40-41,43-44,50,53,64H,4-15,17,20,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-/t64-/m1/s1",BVKBRUDNECFKGE,LCLGONPFSA,N,"TG(22:1(13Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",BVKBRUDNECFKGE-LCLGONPFSA-N
HMDB51724,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,39,60H,4-8,10-11,13-16,19,22-24,30-33,35,37-38,40-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-/t60-/m1/s1",DMKFRXZWKBBDMY,PVSDEULRSA,N,"TG(22:1(13Z)/20:3n6/18:3(9Z,12Z,15Z))",DMKFRXZWKBBDMY-PVSDEULRSA-N
HMDB51725,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,39-40,43,60H,4-8,10-11,13-16,19,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-/t60-/m1/s1",SAWHJLXGHUDEDK,BPOHVAMESA,N,"TG(22:1(13Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))",SAWHJLXGHUDEDK-BPOHVAMESA-N
HMDB51726,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,38-39,41,62H,4-7,9-10,12-16,19,22-24,31-35,37,40,42-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-/t62-/m1/s1",BXWDGTLRKJKLCJ,HWAVCTMUSA,N,"TG(22:1(13Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))",BXWDGTLRKJKLCJ-HWAVCTMUSA-N
HMDB51727,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,38-39,41,45,48,62H,4-7,9-10,12-16,19,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m1/s1",DDGLPKDXOAKNNK,MHPOYQKPSA,N,"TG(22:1(13Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",DDGLPKDXOAKNNK-MHPOYQKPSA-N
HMDB51728,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,40-41,43-44,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-/t64-/m1/s1",UZZSGHHPUMDTDL,FGRWZRLHSA,N,"TG(22:1(13Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",UZZSGHHPUMDTDL-FGRWZRLHSA-N
HMDB51729,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,40-41,43-44,50,53,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-/t64-/m1/s1",OCGQVKCGHZXWOR,XOYZTKHWSA,N,"TG(22:1(13Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OCGQVKCGHZXWOR-XOYZTKHWSA-N
HMDB51730,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,61H,4-16,18-19,21-24,27,30-35,37-38,40-60H2,1-3H3/b20-17-,28-25-,29-26-,39-36-/t61-/m1/s1",IDBSAKGNYNUSJB,RSZPGGPNSA,N,TG(22:1(13Z)/20:3n6/o-18:0),IDBSAKGNYNUSJB-RSZPGGPNSA-N
HMDB51731,1018.892841508,C67H118O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,49,52,64H,4-17,19-20,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-,52-49-",AXCNQAYBJVFXTF,UWTFSUIBSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))",AXCNQAYBJVFXTF-UWTFSUIBSA-N
HMDB51732,1046.924141648,C69H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,42,45,51,54,66H,4-17,19-20,22-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,45-42-,54-51-/t66-/m0/s1",AZILQRXCKGMPFW,UOYICUGHSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",AZILQRXCKGMPFW-UOYICUGHSA-N
HMDB51733,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,39,45,48,60H,4-16,19,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",LSUGLTGQDMQNCF,PPLJOFLHSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",LSUGLTGQDMQNCF-PPLJOFLHSA-N
HMDB51734,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,39-40,43,45,48,60H,4-16,19,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",FPHMGBWHJXWNSY,KDCVKOTRSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",FPHMGBWHJXWNSY-KDCVKOTRSA-N
HMDB51735,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,41,47,50,62H,4-16,19,22-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t62-/m1/s1",SCANKGHHEJZRHI,KMBPEZBESA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)",SCANKGHHEJZRHI-KMBPEZBESA-N
HMDB51736,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,38-39,41,47,50,62H,4-16,19,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",GQJBDECHMOJDPD,UWGGEGSNSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)",GQJBDECHMOJDPD-UWGGEGSNSA-N
HMDB51737,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,38-39,41,45,47-48,50,62H,4-16,19,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",DMYYJAVPABXKHA,WEFGPDTLSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",DMYYJAVPABXKHA-WEFGPDTLSA-N
HMDB51738,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,40,43,49,52,64H,4-15,17,20,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t64-/m1/s1",ALNSZALCWWVQIY,DBEYESPESA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",ALNSZALCWWVQIY-DBEYESPESA-N
HMDB51739,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,40-41,43-44,49,52,64H,4-15,17,20,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",ZUVAQAPNSQJQLQ,UEVJHCSESA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",ZUVAQAPNSQJQLQ-UEVJHCSESA-N
HMDB51740,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-15,17,20,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",GVRJBPOEKLOIAX,DBLCEMCXSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GVRJBPOEKLOIAX-DBLCEMCXSA-N
HMDB51741,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,39,45,48,60H,4-8,10-11,13-16,19,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",QGLJFPIPRSJLBD,GRHAPZGTSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",QGLJFPIPRSJLBD-GRHAPZGTSA-N
HMDB51742,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,39-40,43,45,48,60H,4-8,10-11,13-16,19,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",WFNPIEVTDGQDNF,BTLOHRQRSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",WFNPIEVTDGQDNF-BTLOHRQRSA-N
HMDB51743,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,38-39,41,47,50,62H,4-7,9-10,12-16,19,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",KZTLOOGXSGDXHE,KADYLCRXSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",KZTLOOGXSGDXHE-KADYLCRXSA-N
HMDB51744,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-16,19,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",RUTQLYQQHGNNJW,NJVQURJGSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RUTQLYQQHGNNJW-NJVQURJGSA-N
HMDB51745,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",XYTDWZIOXFFEFA,YWDRHKQESA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XYTDWZIOXFFEFA-YWDRHKQESA-N
HMDB51746,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",ITXWBOWCMFMJLG,GBOUGHQQSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ITXWBOWCMFMJLG-GBOUGHQQSA-N
HMDB51747,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,45,48,61H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-/t61-/m1/s1",NFYYDFZZKBBWRC,WYOGKZTQSA,N,"TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)",NFYYDFZZKBBWRC-WYOGKZTQSA-N
HMDB51748,1050.955441764,C69H126O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,66H,4-17,19-20,22-24,31-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-",YOAUKRZLLRWDOT,FVCHKXIASA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/22:1(13Z))",YOAUKRZLLRWDOT-FVCHKXIASA-N
HMDB51749,1078.986741906,C71H130O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,68H,4-17,19-20,22-24,31-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-/t68-/m0/s1",VPSGHRYJDZHFRE,MAKPURTBSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/24:1(15Z))",VPSGHRYJDZHFRE-MAKPURTBSA-N
HMDB51750,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,62H,4-16,19,22-24,30-35,37-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",VCZKXDDZQZEZMY,KWXDCQEHSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/18:2(9Z,12Z))",VCZKXDDZQZEZMY-KWXDCQEHSA-N
HMDB51751,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,42,45,62H,4-16,19,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",VWQGJLIHAMBUMC,BCMJGZEGSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",VWQGJLIHAMBUMC-BCMJGZEGSA-N
HMDB51752,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,64H,4-16,19,22-24,31-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-/t64-/m1/s1",ATSLQFJFGMNNIY,LCZBZASQSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/20:2n6)",ATSLQFJFGMNNIY-LCZBZASQSA-N
HMDB51753,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,41,64H,4-16,19,22-24,31-37,39-40,42-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",MKHZKYXEUPBEAG,CEQWREPVSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/20:3n6)",MKHZKYXEUPBEAG-CEQWREPVSA-N
HMDB51754,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,41,47,50,64H,4-16,19,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",WILAGAKOEBFAPX,HIEAVTQESA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",WILAGAKOEBFAPX-HIEAVTQESA-N
HMDB51755,1048.9397917,C69H124O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,66H,4-15,17,20,22-24,31-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-",LUVQEMYLYLRRBX,WECKWCTPSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/22:2(13Z,16Z))",LUVQEMYLYLRRBX-WECKWCTPSA-N
HMDB51756,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,37,43,46,66H,4-15,17,20,22-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-/t66-/m1/s1",VXCQEKZHWDNJNE,UGCPENCASA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",VXCQEKZHWDNJNE-UGCPENCASA-N
HMDB51757,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,37,43,46,52,55,66H,4-15,17,20,22-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t66-/m1/s1",FQRVLKRRCCTSFL,XUPILANKSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FQRVLKRRCCTSFL-XUPILANKSA-N
HMDB51758,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,62H,4-8,10-11,13-16,19,22-24,30-35,37-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",KOOMKBHBGRNYIU,KYHFIOHMSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",KOOMKBHBGRNYIU-KYHFIOHMSA-N
HMDB51759,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,42,45,62H,4-8,10-11,13-16,19,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",NDXGLLOUBMSPFH,ISKODLPBSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",NDXGLLOUBMSPFH-ISKODLPBSA-N
HMDB51760,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,41,64H,4-8,10-11,13-16,19,22-24,31-37,39-40,42-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",NWNHHPNKTCTZMQ,DFQOAPSZSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",NWNHHPNKTCTZMQ-DFQOAPSZSA-N
HMDB51761,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,41,47,50,64H,4-8,10-11,13-16,19,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",NWJBECSQGANKRW,MECXFXGGSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NWJBECSQGANKRW-MECXFXGGSA-N
HMDB51762,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,37,43,46,66H,4-6,8-9,11-15,17,20,22-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-/t66-/m1/s1",XUHWPRAFNNDCAY,NAERCIRHSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XUHWPRAFNNDCAY-NAERCIRHSA-N
HMDB51763,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,37,43,46,52,55,66H,4-6,8-9,11-15,17,20,22-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t66-/m1/s1",HFLSQOHZZQPWKH,RCDNYJLWSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HFLSQOHZZQPWKH-RCDNYJLWSA-N
HMDB51764,982.929227028,C65H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,63H,4-16,18-19,21-24,27,30-62H2,1-3H3/b20-17-,28-25-,29-26-/t63-/m1/s1",WGXJCTNILLBXEW,DIZOGMMSSA,N,"TG(22:1(13Z)/22:2(13Z,16Z)/o-18:0)",WGXJCTNILLBXEW-DIZOGMMSSA-N
HMDB51765,1046.924141636,C69H122O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,36,39,45,48,66H,4-17,19-20,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,39-36-,48-45-",GHNSFGOSWDLRIX,FRUAZAKGSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",GHNSFGOSWDLRIX-FRUAZAKGSA-N
HMDB51766,1074.955441777,C71H126O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,37,41,47,50,68H,4-17,19-20,22-24,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-37-,50-47-/t68-/m0/s1",BHNBHAQTWKKKDI,PRGROIRCSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",BHNBHAQTWKKKDI-PRGROIRCSA-N
HMDB51767,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,33,35-36,41,44,62H,4-16,19,22-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-/t62-/m1/s1",VXGSEBZLQHVXSR,FEZGCGADSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",VXGSEBZLQHVXSR-FEZGCGADSA-N
HMDB51768,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,33,35-36,41-42,44-45,62H,4-16,19,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-/t62-/m1/s1",OHMFIGMAGGSAEG,CEUFICPKSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",OHMFIGMAGGSAEG-CEUFICPKSA-N
HMDB51769,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,34,37,43,46,64H,4-16,19,22-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-/t64-/m1/s1",KVBWOWZEPUMJLY,UPWZVTJDSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)",KVBWOWZEPUMJLY-UPWZVTJDSA-N
HMDB51770,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,34,37-38,41,43,46,64H,4-16,19,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-/t64-/m1/s1",SXDDGEGLASLZST,OEBLMMCMSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)",SXDDGEGLASLZST-OEBLMMCMSA-N
HMDB51771,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,34,37-38,41,43,46-47,50,64H,4-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",YTXOPNUGUKTNSN,YQVDMLHNSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",YTXOPNUGUKTNSN-YQVDMLHNSA-N
HMDB51772,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,36,39,45,48,66H,4-15,17,20,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t66-/m1/s1",CIXLNXSUJBUINF,OGMUCGCASA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",CIXLNXSUJBUINF-OGMUCGCASA-N
HMDB51773,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,43,45-46,48,66H,4-15,17,20,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t66-/m1/s1",MBGAEVBAAYGIHF,DFJPAWQSSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",MBGAEVBAAYGIHF-DFJPAWQSSA-N
HMDB51774,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-/t66-/m1/s1",ZHATWJMNWNXXKB,ZMYUQWAFSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZHATWJMNWNXXKB-ZMYUQWAFSA-N
HMDB51775,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,33,35-36,41,44,62H,4-8,10-11,13-16,19,22-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-/t62-/m1/s1",MJJAKPUFSXEWBA,OWGGMXGSSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",MJJAKPUFSXEWBA-OWGGMXGSSA-N
HMDB51776,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,33,35-36,41-42,44-45,62H,4-8,10-11,13-16,19,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-/t62-/m1/s1",AXIOYHCSXQIMGL,QQMLIXRASA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",AXIOYHCSXQIMGL-QQMLIXRASA-N
HMDB51777,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,34,37-38,41,43,46,64H,4-8,10-11,13-16,19,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-/t64-/m1/s1",JWMNDDIRNANEJD,XIMSQDLFSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",JWMNDDIRNANEJD-XIMSQDLFSA-N
HMDB51778,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,34,37-38,41,43,46-47,50,64H,4-8,10-11,13-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",NOKOMMDNNPBOJQ,VAHREEHESA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NOKOMMDNNPBOJQ-VAHREEHESA-N
HMDB51779,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,66H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t66-/m1/s1",DPKRGNCGYSGMOV,ASMFHNGRSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DPKRGNCGYSGMOV-ASMFHNGRSA-N
HMDB51780,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-/t66-/m1/s1",SUGNZZCEDRBJIP,HWTFMCNQSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SUGNZZCEDRBJIP-HWTFMCNQSA-N
HMDB51781,978.8979269,C65H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,36,41,44,63H,4-16,18-19,21-24,27,30-33,35,37-40,42-43,45-62H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,44-41-/t63-/m1/s1",GAGFDZDLVVWJIL,NYJFDBSHSA,N,"TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)",GAGFDZDLVVWJIL-NYJFDBSHSA-N
HMDB51782,1044.908491572,C69H120O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,36,39,45,48,54,57,66H,4-17,19-20,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-",XLPXQWHROBXFQB,QEBORQJLSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))",XLPXQWHROBXFQB-QEBORQJLSA-N
HMDB51783,1072.939791713,C71H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,37,41,47,50,56,59,68H,4-17,19-20,22-24,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-37-,50-47-,59-56-/t68-/m0/s1",WFMIPAYOMUXXKS,RQBTUDOTSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",WFMIPAYOMUXXKS-RQBTUDOTSA-N
HMDB51784,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,33,35-36,41,44,50,53,62H,4-16,19,22-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m1/s1",VCPPMPJARVUNOC,UUIRROELSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",VCPPMPJARVUNOC-UUIRROELSA-N
HMDB51785,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-16,19,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-/t62-/m1/s1",XZSZEZFAYYEODU,ZCSGALGFSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",XZSZEZFAYYEODU-ZCSGALGFSA-N
HMDB51786,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,34,37,43,46,52,55,64H,4-16,19,22-24,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t64-/m1/s1",ZNYCMQJNCISMAD,PEMBIUPMSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",ZNYCMQJNCISMAD-PEMBIUPMSA-N
HMDB51787,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,34,37-38,41,43,46,52,55,64H,4-16,19,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-/t64-/m1/s1",WDMBSGQGXHKVIA,CIOFKTSCSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",WDMBSGQGXHKVIA-CIOFKTSCSA-N
HMDB51788,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",UQKKTBUKJQLEIC,VCDCZZNPSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",UQKKTBUKJQLEIC-VCDCZZNPSA-N
HMDB51789,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,36,39,45,48,54,57,66H,4-15,17,20,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-/t66-/m1/s1",SUQUGUAIZJXNSA,WAPALJNTSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",SUQUGUAIZJXNSA-WAPALJNTSA-N
HMDB51790,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-15,17,20,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-/t66-/m1/s1",WBWGVAIQFJBJSR,UIIJRFRQSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",WBWGVAIQFJBJSR-UIIJRFRQSA-N
HMDB51791,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1",OHDWZNXXUJXKPD,GTIZFQQKSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OHDWZNXXUJXKPD-GTIZFQQKSA-N
HMDB51792,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,33,35-36,41,44,50,53,62H,4-8,10-11,13-16,19,22-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m1/s1",YJSYWJDYPQYFTD,ZVVVDKQZSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",YJSYWJDYPQYFTD-ZVVVDKQZSA-N
HMDB51793,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-8,10-11,13-16,19,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-/t62-/m1/s1",VGWGYSXLNVQLCF,QZFCKTDXSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",VGWGYSXLNVQLCF-QZFCKTDXSA-N
HMDB51794,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,34,37-38,41,43,46,52,55,64H,4-8,10-11,13-16,19,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-/t64-/m1/s1",BPNIJKQSMGDODD,IHGIYPPKSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",BPNIJKQSMGDODD-IHGIYPPKSA-N
HMDB51795,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-8,10-11,13-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",RXRXTRQEEDSAPZ,RUOXQRJYSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RXRXTRQEEDSAPZ-RUOXQRJYSA-N
HMDB51796,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-/t66-/m1/s1",BDXWQTHNAYHQOJ,DPGKJKDHSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BDXWQTHNAYHQOJ-DPGKJKDHSA-N
HMDB51797,1034.830241262,C69H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1",HGCIMPNGUKMKFS,DBGYPZGVSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HGCIMPNGUKMKFS-DBGYPZGVSA-N
HMDB51798,976.882276835,C65H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,36,41,44,50,53,63H,4-16,18-19,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,44-41-,53-50-/t63-/m1/s1",DBRFXIGRZCFVDB,FUSOHZMHSA,N,"TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",DBRFXIGRZCFVDB-FUSOHZMHSA-N
HMDB51799,992.877191444,C65H116O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-",QFANTVSGUCILNB,GQZCWDNXSA,N,"TG(22:1(13Z)/18:3(9Z,12Z,15Z)/22:1(13Z))",QFANTVSGUCILNB-GQZCWDNXSA-N
HMDB51800,1020.908491584,C67H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-/t64-/m0/s1",YJDKGUPHLPZUQH,GPQBQOBTSA,N,"TG(22:1(13Z)/18:3(9Z,12Z,15Z)/24:1(15Z))",YJDKGUPHLPZUQH-GPQBQOBTSA-N
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HMDB51815,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,33,59H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-58H2,1-3H3/b12-9-,21-18-,28-25-,33-27-/t59-/m1/s1",FTYRINBVXMECCW,NUNGZDAFSA,N,"TG(22:1(13Z)/18:3(9Z,12Z,15Z)/o-18:0)",FTYRINBVXMECCW-NUNGZDAFSA-N
HMDB51816,990.86154138,C65H114O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,44,47,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,47-44-",SUFMQKNVEYHYIT,STRQKGKUSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))",SUFMQKNVEYHYIT-STRQKGKUSA-N
HMDB51817,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,46,49,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-45,47-48,50-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-,49-46-/t64-/m0/s1",ZXGDZNSFSROUNG,YYSMCGEYSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",ZXGDZNSFSROUNG-YYSMCGEYSA-N
HMDB51818,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,32-33,40,43,58H,4-8,10-11,13-16,19,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,32-26-,33-27-,43-40-/t58-/m1/s1",WPWKNSUEUTURRZ,UJRLAEJDSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",WPWKNSUEUTURRZ-UJRLAEJDSA-N
HMDB51819,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,32-33,38,40-41,43,58H,4-8,10-11,13-16,19,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-/t58-/m1/s1",MXQATDFLOUYBDH,OOHOOZIRSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",MXQATDFLOUYBDH-OOHOOZIRSA-N
HMDB51820,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,42,45,60H,4-8,10-11,13-16,19,22-24,30-33,35-41,43-44,46-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,45-42-/t60-/m1/s1",LDOJEGNWHJOMQD,LGQYJJFNSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)",LDOJEGNWHJOMQD-LGQYJJFNSA-N
HMDB51821,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,37,42,45,60H,4-8,10-11,13-16,19,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-/t60-/m1/s1",QCZNYKXKMTUJGT,VTPCHKJASA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)",QCZNYKXKMTUJGT-VTPCHKJASA-N
HMDB51822,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,37,42-43,45-46,60H,4-8,10-11,13-16,19,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1",NWUKMNBNRHWGKD,YUPMGCFISA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",NWUKMNBNRHWGKD-YUPMGCFISA-N
HMDB51823,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,36,44,47,62H,4-8,10-11,13-15,17,20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,36-27-,47-44-/t62-/m1/s1",SUKVIRDDDKYBMR,QRWHIIJDSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",SUKVIRDDDKYBMR-QRWHIIJDSA-N
HMDB51824,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,39,42,44,47,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-/t62-/m1/s1",KEIUKGQWZACVDT,SYZNQBBLSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",KEIUKGQWZACVDT-SYZNQBBLSA-N
HMDB51825,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,39,42,44,47-48,51,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-/t62-/m1/s1",OPGADZLRJKXWIM,CMVJYLEDSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OPGADZLRJKXWIM-CMVJYLEDSA-N
HMDB51826,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,32-33,40,43,58H,4-7,10,13-16,19,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,32-26-,33-27-,43-40-/t58-/m1/s1",MGFMTEGBAIFELS,CRNWOGGFSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",MGFMTEGBAIFELS-CRNWOGGFSA-N
HMDB51827,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,32-33,38,40-41,43,58H,4-7,10,13-16,19,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-/t58-/m1/s1",RZKBUUPCPKHFHA,KYXALGATSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",RZKBUUPCPKHFHA-KYXALGATSA-N
HMDB51828,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34-35,37,42,45,60H,4-7,10,13-16,19,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-/t60-/m1/s1",GAGJGQSTFRQNAT,JHTBMAAWSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",GAGJGQSTFRQNAT-JHTBMAAWSA-N
HMDB51829,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34-35,37,42-43,45-46,60H,4-7,10,13-16,19,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1",DCYWSDMCLMGYLN,VCINXCKRSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",DCYWSDMCLMGYLN-VCINXCKRSA-N
HMDB51830,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32,34,36,39,42,44,47,62H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-/t62-/m1/s1",SEZVQVGRFNEXGD,AEDGGXJLSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SEZVQVGRFNEXGD-AEDGGXJLSA-N
HMDB51831,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32,34,36,39,42,44,47-48,51,62H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-/t62-/m1/s1",HHDZLCQDAWUVBO,FPPATSECSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HHDZLCQDAWUVBO-FPPATSECSA-N
HMDB51832,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,33,40,43,59H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-39,41-42,44-58H2,1-3H3/b12-9-,21-18-,28-25-,33-27-,43-40-/t59-/m1/s1",KCRCQLIYSIWWIN,HPPFBFBNSA,N,"TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)",KCRCQLIYSIWWIN-HPPFBFBNSA-N
HMDB51833,1018.892841508,C67H118O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,64H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-",YHKVMAZKIBFSAT,CRGYEHCZSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))",YHKVMAZKIBFSAT-CRGYEHCZSA-N
HMDB51834,1046.924141648,C69H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,42,45,66H,4-8,10-11,13-17,19-20,22-24,31-41,43-44,46-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,45-42-/t66-/m0/s1",QVTAHMZQBBCISB,FKKPZWMSSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))",QVTAHMZQBBCISB-FKKPZWMSSA-N
HMDB51835,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,39,60H,4-7,9-10,12-16,19,22-24,30-33,35,37-38,40-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-/t60-/m1/s1",TUVCKMDXVPTCJG,JAIBTXLPSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",TUVCKMDXVPTCJG-JAIBTXLPSA-N
HMDB51836,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,39-40,43,60H,4-7,9-10,12-16,19,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-/t60-/m1/s1",TWMZUNYBAPKPNZ,TWAKDILZSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",TWMZUNYBAPKPNZ-TWAKDILZSA-N
HMDB51837,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,41,62H,4-8,10-11,13-16,19,22-24,31-37,39-40,42-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-/t62-/m1/s1",QOGZOOVLWZCWLI,GYONVSTESA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)",QOGZOOVLWZCWLI-GYONVSTESA-N
HMDB51838,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36,38-39,41,62H,4-8,10-11,13-16,19,22-24,31-35,37,40,42-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-/t62-/m1/s1",MQZWKNPHOQCTSK,BDMHWTNESA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)",MQZWKNPHOQCTSK-BDMHWTNESA-N
HMDB51839,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36,38-39,41,45,48,62H,4-8,10-11,13-16,19,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m1/s1",XGUSLAJGVLAHGW,ZZENISRBSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",XGUSLAJGVLAHGW-ZZENISRBSA-N
HMDB51840,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,40,43,64H,4-8,10-11,13-15,17,20,22-24,31-39,41-42,44-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,43-40-/t64-/m1/s1",JYRUPRLSVUCKGZ,JYRHFJADSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",JYRUPRLSVUCKGZ-JYRHFJADSA-N
HMDB51841,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,40-41,43-44,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-/t64-/m1/s1",MFRZUIXUOSCHDW,OFZHFPFLSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",MFRZUIXUOSCHDW-OFZHFPFLSA-N
HMDB51842,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,40-41,43-44,50,53,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-/t64-/m1/s1",WOYJBZKUFHYRLP,BPUGGMSDSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WOYJBZKUFHYRLP-BPUGGMSDSA-N
HMDB51843,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,39,60H,4-7,10,13-16,19,22-24,30-33,35,37-38,40-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-/t60-/m1/s1",IWLAXAPEIGUTCB,OOHWCSMUSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",IWLAXAPEIGUTCB-OOHWCSMUSA-N
HMDB51844,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,39-40,43,60H,4-7,10,13-16,19,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-/t60-/m1/s1",CEDIQWAKNMQFHR,ADTHWEOGSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",CEDIQWAKNMQFHR-ADTHWEOGSA-N
HMDB51845,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36,38-39,41,62H,4-7,10,13-16,19,22-24,31-35,37,40,42-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-/t62-/m1/s1",DVQRLRUMQXTXER,GUQPPZHPSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",DVQRLRUMQXTXER-GUQPPZHPSA-N
HMDB51846,982.798941124,C65H106O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36,38-39,41,45,48,62H,4-7,10,13-16,19,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-",PYXPOCDDSOGGQJ,JMPDUUROSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PYXPOCDDSOGGQJ-JMPDUUROSA-N
HMDB51847,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,40-41,43-44,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-/t64-/m1/s1",RVCTVUSKSKYJLM,FVUPJFFXSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RVCTVUSKSKYJLM-FVUPJFFXSA-N
HMDB51848,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,40-41,43-44,50,53,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-/t64-/m1/s1",NGQZZZLSEZPDDJ,VVYFMAHJSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NGQZZZLSEZPDDJ-VVYFMAHJSA-N
HMDB51849,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,61H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-60H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-/t61-/m1/s1",HUNYHNIYIYCFKC,LPSAMZCDSA,N,"TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)",HUNYHNIYIYCFKC-LPSAMZCDSA-N
HMDB51850,1016.877191444,C67H116O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-",HEJVZNKDGQUAAN,FLKSGMGDSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",HEJVZNKDGQUAAN-FLKSGMGDSA-N
HMDB51851,1044.908491584,C69H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,42,45,51,54,66H,4-8,10-11,13-17,19-20,22-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,45-42-,54-51-/t66-/m0/s1",GVYVACVTACJXQG,OCZBIKEXSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",GVYVACVTACJXQG-OCZBIKEXSA-N
HMDB51852,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,39,45,48,60H,4-7,9-10,12-16,19,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",PBKAVJDINREZJK,VKQQFCBNSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",PBKAVJDINREZJK-VKQQFCBNSA-N
HMDB51853,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,39-40,43,45,48,60H,4-7,9-10,12-16,19,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",ODFCEYTWBQSXQC,GNUIQNHZSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",ODFCEYTWBQSXQC-GNUIQNHZSA-N
HMDB51854,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,41,47,50,62H,4-8,10-11,13-16,19,22-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t62-/m1/s1",BIKZAKPRTKSPPL,YRHAHDLVSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",BIKZAKPRTKSPPL-YRHAHDLVSA-N
HMDB51855,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36,38-39,41,47,50,62H,4-8,10-11,13-16,19,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",KBZBXHUOEHHGBE,DLKWIREBSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",KBZBXHUOEHHGBE-DLKWIREBSA-N
HMDB51856,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36,38-39,41,45,47-48,50,62H,4-8,10-11,13-16,19,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",XNSLHJLCFORBDC,SWARZWLOSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",XNSLHJLCFORBDC-SWARZWLOSA-N
HMDB51857,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,40,43,49,52,64H,4-8,10-11,13-15,17,20,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t64-/m1/s1",BMJZZOMKAADZPH,GXSUDMPOSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",BMJZZOMKAADZPH-GXSUDMPOSA-N
HMDB51858,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,40-41,43-44,49,52,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",QVEJEXSGQODSMV,AYITZKRASA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",QVEJEXSGQODSMV-AYITZKRASA-N
HMDB51859,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",QKWYJAKRLLCEFM,QXMYKKQESA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QKWYJAKRLLCEFM-QXMYKKQESA-N
HMDB51860,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,39,45,48,60H,4-7,10,13-16,19,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",MNOSBSFAFCETAL,VJXNLZDLSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",MNOSBSFAFCETAL-VJXNLZDLSA-N
HMDB51861,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,39-40,43,45,48,60H,4-7,10,13-16,19,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",NGQPUERHGUGMCW,GHTHOHBRSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",NGQPUERHGUGMCW-GHTHOHBRSA-N
HMDB51862,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36,38-39,41,47,50,62H,4-7,10,13-16,19,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",YIRSIALBOBSAHW,DBRRETQPSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",YIRSIALBOBSAHW-DBRRETQPSA-N
HMDB51863,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36,38-39,41,45,47-48,50,62H,4-7,10,13-16,19,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",ZZHQPHMTXYHRIT,OBQUUIHPSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZZHQPHMTXYHRIT-OBQUUIHPSA-N
HMDB51864,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,40-41,43-44,49,52,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",DZHBTNQICRIEID,MOXYLXQJSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DZHBTNQICRIEID-MOXYLXQJSA-N
HMDB51865,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",RZOWBVDHUGVBKH,OKMMMKTLSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RZOWBVDHUGVBKH-OKMMMKTLSA-N
HMDB51866,948.850976706,C63H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,61H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-/t61-/m1/s1",DUYBKOXPEWXVRC,VEDBHAGFSA,N,"TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)",DUYBKOXPEWXVRC-VEDBHAGFSA-N
HMDB51867,1044.908491572,C69H120O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,45,48,66H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-",KWLRMXKYTIUUDB,ZAMVXBHRSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",KWLRMXKYTIUUDB-ZAMVXBHRSA-N
HMDB51868,1072.939791713,C71H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,37,41,47,50,68H,4-8,10-11,13-17,19-20,22-24,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-/t68-/m0/s1",WFVDBFJOMUEKRI,QVINEFPSSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",WFVDBFJOMUEKRI-QVINEFPSSA-N
HMDB51869,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,33,35-36,41,44,62H,4-7,9-10,12-16,19,22-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-/t62-/m1/s1",CUVCWUGHQGDSHZ,QOEIAVEFSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",CUVCWUGHQGDSHZ-QOEIAVEFSA-N
HMDB51870,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,33,35-36,41-42,44-45,62H,4-7,9-10,12-16,19,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-/t62-/m1/s1",AMDXXGYFSMTFFF,TZNJLZDBSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",AMDXXGYFSMTFFF-TZNJLZDBSA-N
HMDB51871,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,34,37,43,46,64H,4-7,9-10,12-16,19,22-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-/t64-/m1/s1",HCYGEAFZDZCRQF,KKIFZLDDSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",HCYGEAFZDZCRQF-KKIFZLDDSA-N
HMDB51872,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,34,37-38,41,43,46,64H,4-7,9-10,12-16,19,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-/t64-/m1/s1",WMOTVZJABQESOR,XGWULVMFSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",WMOTVZJABQESOR-XGWULVMFSA-N
HMDB51873,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,34,37-38,41,43,46-47,50,64H,4-7,9-10,12-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",FHMGZBPQNMKKED,BEAUUSGUSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",FHMGZBPQNMKKED-BEAUUSGUSA-N
HMDB51874,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,36,39,45,48,66H,4-8,10-11,13-15,17,20,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t66-/m1/s1",XUFYJIVMPGKUKP,GIZDYLEISA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",XUFYJIVMPGKUKP-GIZDYLEISA-N
HMDB51875,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,66H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t66-/m1/s1",XHKSEOWCEMEGBG,MGODUDRASA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",XHKSEOWCEMEGBG-MGODUDRASA-N
HMDB51876,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-/t66-/m1/s1",GGMNVOQRFIPAAW,MKBQCAJQSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GGMNVOQRFIPAAW-MKBQCAJQSA-N
HMDB51877,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,33,35-36,41,44,62H,4-7,10,13-16,19,22-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-/t62-/m1/s1",AYBMZFNVCHXOPE,GDOQCDOPSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",AYBMZFNVCHXOPE-GDOQCDOPSA-N
HMDB51878,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,33,35-36,41-42,44-45,62H,4-7,10,13-16,19,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-/t62-/m1/s1",TXEMLDWJCRXBGR,BWLFUTPNSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",TXEMLDWJCRXBGR-BWLFUTPNSA-N
HMDB51879,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,34,37-38,41,43,46,64H,4-7,10,13-16,19,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-/t64-/m1/s1",WAYSPJZTFWOKLC,HEFWZMSHSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",WAYSPJZTFWOKLC-HEFWZMSHSA-N
HMDB51880,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,34,37-38,41,43,46-47,50,64H,4-7,10,13-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",LRCXZQAREGXBHR,TXBIZZIZSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LRCXZQAREGXBHR-TXBIZZIZSA-N
HMDB51881,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,66H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t66-/m1/s1",RVHKTHXRNGBXGU,BWWQZIDJSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RVHKTHXRNGBXGU-BWWQZIDJSA-N
HMDB51882,1034.830241262,C69H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-/t66-/m1/s1",RYUSJRDRRPLWCI,IIFISPEHSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RYUSJRDRRPLWCI-IIFISPEHSA-N
HMDB51883,976.882276835,C65H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,41,44,63H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-40,42-43,45-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,44-41-/t63-/m1/s1",GBESBEVPTMGWFI,PTRPJVRVSA,N,"TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",GBESBEVPTMGWFI-PTRPJVRVSA-N
HMDB51884,1042.892841508,C69H118O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,45,48,54,57,66H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-",JNORCRLUPUCTHV,FFFHIBNISA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))",JNORCRLUPUCTHV-FFFHIBNISA-N
HMDB51885,1070.924141648,C71H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,37,41,47,50,56,59,68H,4-8,10-11,13-17,19-20,22-24,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-,59-56-/t68-/m0/s1",LGGFMKUAFSWDNA,IXJKYEANSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",LGGFMKUAFSWDNA-IXJKYEANSA-N
HMDB51886,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,33,35-36,41,44,50,53,62H,4-7,9-10,12-16,19,22-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m1/s1",AFURDRFPKCTWQC,DFTGBVGWSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",AFURDRFPKCTWQC-DFTGBVGWSA-N
HMDB51887,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-7,9-10,12-16,19,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-/t62-/m1/s1",QSQYAJDMNORUAH,KBUAGHJHSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",QSQYAJDMNORUAH-KBUAGHJHSA-N
HMDB51888,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,34,37,43,46,52,55,64H,4-7,9-10,12-16,19,22-24,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t64-/m1/s1",CPSMFWFAVJGCOY,MOXBJRODSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",CPSMFWFAVJGCOY-MOXBJRODSA-N
HMDB51889,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,34,37-38,41,43,46,52,55,64H,4-7,9-10,12-16,19,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-/t64-/m1/s1",WBGRELORQZJDIS,BHQDTOBHSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",WBGRELORQZJDIS-BHQDTOBHSA-N
HMDB51890,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,9-10,12-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",YYTPVDLTIJHASQ,HDXCXOPUSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",YYTPVDLTIJHASQ-HDXCXOPUSA-N
HMDB51891,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,36,39,45,48,54,57,66H,4-8,10-11,13-15,17,20,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-/t66-/m1/s1",QNBOTUMQLFZXPQ,VPGOYAQOSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",QNBOTUMQLFZXPQ-VPGOYAQOSA-N
HMDB51892,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-/t66-/m1/s1",QWDSFHUINYCXNM,QLUMDYCSSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",QWDSFHUINYCXNM-QLUMDYCSSA-N
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HMDB51895,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-7,10,13-16,19,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-/t62-/m1/s1",BXWJNVALZYFZLM,NPRDMZFTSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",BXWJNVALZYFZLM-NPRDMZFTSA-N
HMDB51896,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,34,37-38,41,43,46,52,55,64H,4-7,10,13-16,19,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-/t64-/m1/s1",GINMSUDSUMGWLR,BKJAUECVSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",GINMSUDSUMGWLR-BKJAUECVSA-N
HMDB51897,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,10,13-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",SNYPPYXTVLKPJP,SPJHIKFESA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SNYPPYXTVLKPJP-SPJHIKFESA-N
HMDB51898,1034.830241262,C69H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-/t66-/m1/s1",PEVACKITNNAMDX,HZSQCGDHSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PEVACKITNNAMDX-HZSQCGDHSA-N
HMDB51899,1032.814591198,C69H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1",QEHLKEDXLONCKW,CFUGESOBSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QEHLKEDXLONCKW-CFUGESOBSA-N
HMDB51900,974.866626771,C65H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,41,44,50,53,63H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,44-41-,53-50-/t63-/m1/s1",RHDQYLQEWMTRQO,QJZXMXJXSA,N,"TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",RHDQYLQEWMTRQO-QJZXMXJXSA-N
HMDB51901,984.944877078,C65H124O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,63H,4-24,27,30-62H2,1-3H3/b28-25-,29-26-",SPXVSGQKVRCUQE,RZEXXKRKSA,N,TG(22:1(13Z)/o-18:0/22:1(13Z)),SPXVSGQKVRCUQE-RZEXXKRKSA-N
HMDB51902,1012.976177222,C67H128O5,[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,65H,4-24,27,30-64H2,1-3H3/b28-25-,29-26-/t65-/m0/s1",NIZQUQJDVDWUHA,UAVZDZOLSA,N,TG(22:1(13Z)/o-18:0/24:1(15Z)),NIZQUQJDVDWUHA-UAVZDZOLSA-N
HMDB51903,926.866626771,C61H114O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,33,59H,4-17,19-20,22-24,26,29-32,34-58H2,1-3H3/b21-18-,28-25-,33-27-/t59-/m1/s1",SDWPVMNEXQULAT,KMJYMJAJSA,N,"TG(22:1(13Z)/o-18:0/18:2(9Z,12Z))",SDWPVMNEXQULAT-KMJYMJAJSA-N
HMDB51904,924.850976706,C61H112O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,33,39,42,59H,4-17,19-20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b21-18-,28-25-,33-27-,42-39-/t59-/m1/s1",YBMSPSGALOVJLN,WEGMRAKCSA,N,"TG(22:1(13Z)/o-18:0/18:3(6Z,9Z,12Z))",YBMSPSGALOVJLN-WEGMRAKCSA-N
HMDB51905,954.8979269,C63H118O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,61H,4-16,18-19,21-24,27,30-60H2,1-3H3/b20-17-,28-25-,29-26-/t61-/m1/s1",VRADBIPNMXGYIT,XKFLIONZSA,N,TG(22:1(13Z)/o-18:0/20:2n6),VRADBIPNMXGYIT-XKFLIONZSA-N
HMDB51906,952.882276835,C63H116O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,61H,4-16,18-19,21-24,27,30-34,36-37,39-60H2,1-3H3/b20-17-,28-25-,29-26-,38-35-/t61-/m1/s1",DMGBYZOKWLAVIY,ZHJDXWBJSA,N,TG(22:1(13Z)/o-18:0/20:3n6),DMGBYZOKWLAVIY-ZHJDXWBJSA-N
HMDB51907,950.866626771,C63H114O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,44,47,61H,4-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,47-44-/t61-/m1/s1",BPRIEDPMPZRCDU,TUGJCTNUSA,N,"TG(22:1(13Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))",BPRIEDPMPZRCDU-TUGJCTNUSA-N
HMDB51908,982.929227028,C65H122O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,63H,4-15,17-18,20-24,27,30-62H2,1-3H3/b19-16-,28-25-,29-26-/t63-/m1/s1",MVVRYJDDCLAIGR,WYSFQSQESA,N,"TG(22:1(13Z)/o-18:0/22:2(13Z,16Z))",MVVRYJDDCLAIGR-WYSFQSQESA-N
HMDB51909,978.8979269,C65H118O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,40,43,63H,4-15,17-18,20-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,43-40-/t63-/m1/s1",NOLZXXSUBGUELY,XYNGZHCFSA,N,"TG(22:1(13Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))",NOLZXXSUBGUELY-XYNGZHCFSA-N
HMDB51910,976.882276835,C65H116O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,40,43,49,52,63H,4-15,17-18,20-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,43-40-,52-49-/t63-/m1/s1",XOSNYLWXWYICIP,OFGBTHDTSA,N,"TG(22:1(13Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",XOSNYLWXWYICIP-OFGBTHDTSA-N
HMDB51911,924.850976706,C61H112O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,33,59H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-58H2,1-3H3/b12-9-,21-18-,28-25-,33-27-/t59-/m1/s1",RYXWSTIICMYXLZ,NUNGZDAFSA,N,"TG(22:1(13Z)/o-18:0/18:3(9Z,12Z,15Z))",RYXWSTIICMYXLZ-NUNGZDAFSA-N
HMDB51912,922.835326642,C61H110O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,33,39,42,59H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b12-9-,21-18-,28-25-,33-27-,42-39-/t59-/m1/s1",RGEMHCPHOAOJAB,FFCWOSKWSA,N,"TG(22:1(13Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",RGEMHCPHOAOJAB-FFCWOSKWSA-N
HMDB51913,950.866626771,C63H114O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,61H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-60H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-/t61-/m1/s1",JIJSROMUTDPOMJ,DIIGKJGESA,N,"TG(22:1(13Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",JIJSROMUTDPOMJ-DIIGKJGESA-N
HMDB51914,948.850976706,C63H112O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,44,47,61H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,47-44-/t61-/m1/s1",IEOSRVGEECHXBY,YQRHRKITSA,N,"TG(22:1(13Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",IEOSRVGEECHXBY-YQRHRKITSA-N
HMDB51915,976.882276835,C65H116O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,40,43,63H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,43-40-/t63-/m1/s1",WIBXCMJVMABAHM,KCAPTOBDSA,N,"TG(22:1(13Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",WIBXCMJVMABAHM-KCAPTOBDSA-N
HMDB51916,974.866626771,C65H114O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,40,43,49,52,63H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,43-40-,52-49-/t63-/m1/s1",OOABDXHVUOLJIS,QCZNQCGPSA,N,"TG(22:1(13Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OOABDXHVUOLJIS-QCZNQCGPSA-N
HMDB51917,998.924141636,C65H122O6,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,62H,4-23,28-61H2,1-3H3/b26-24-,27-25-",ZNKUQZJQPJKNIL,DSOYXUETSA,N,TG(24:1(15Z)/14:0/24:1(15Z)),ZNKUQZJQPJKNIL-DSOYXUETSA-N
HMDB51918,912.814591198,C59H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,24-26,32,56H,4-16,18-19,21-23,27-31,33-55H2,1-3H3/b20-17-,26-24-,32-25-/t56-/m1/s1",KWHMLGOSSQVASF,GKAVIUTKSA,N,"TG(24:1(15Z)/14:0/18:2(9Z,12Z))",KWHMLGOSSQVASF-GKAVIUTKSA-N
HMDB51919,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,24-26,32,37,39,56H,4-16,18-19,21-23,27-31,33-36,38,40-55H2,1-3H3/b20-17-,26-24-,32-25-,39-37-/t56-/m1/s1",SQDMUSCNENPTGR,BRNNUFNWSA,N,"TG(24:1(15Z)/14:0/18:3(6Z,9Z,12Z))",SQDMUSCNENPTGR-BRNNUFNWSA-N
HMDB51920,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,58H,4-16,18-19,21-23,28-57H2,1-3H3/b20-17-,26-24-,27-25-/t58-/m1/s1",OFHXYQPJQBMTND,GQHCNAEHSA,N,TG(24:1(15Z)/14:0/20:2n6),OFHXYQPJQBMTND-GQHCNAEHSA-N
HMDB51921,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,34,36,58H,4-16,18-19,21-23,28-33,35,37-57H2,1-3H3/b20-17-,26-24-,27-25-,36-34-/t58-/m1/s1",XHCVMVYSBUVFNX,SUDOPNQZSA,N,TG(24:1(15Z)/14:0/20:3n6),XHCVMVYSBUVFNX-SUDOPNQZSA-N
HMDB51922,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,34,36,41,44,58H,4-16,18-19,21-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b20-17-,26-24-,27-25-,36-34-,44-41-/t58-/m1/s1",BQKXPXNBEBSDID,FULBYWHRSA,N,"TG(24:1(15Z)/14:0/20:4(5Z,8Z,11Z,14Z))",BQKXPXNBEBSDID-FULBYWHRSA-N
HMDB51923,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,60H,4-16,18-19,21-23,28-59H2,1-3H3/b20-17-,26-24-,27-25-/t60-/m1/s1",ZXIGPBPGGKUILK,RZNDGKSGSA,N,"TG(24:1(15Z)/14:0/22:2(13Z,16Z))",ZXIGPBPGGKUILK-RZNDGKSGSA-N
HMDB51924,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,38,41,60H,4-16,18-19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,41-38-/t60-/m1/s1",FRJVUQNOKPPWFF,BVRGJCLJSA,N,"TG(24:1(15Z)/14:0/22:4(7Z,10Z,13Z,16Z))",FRJVUQNOKPPWFF-BVRGJCLJSA-N
HMDB51925,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,38,41,46,49,60H,4-16,18-19,21-23,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,41-38-,49-46-/t60-/m1/s1",DKFCABSRSLZDFF,DPRADSHVSA,N,"TG(24:1(15Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",DKFCABSRSLZDFF-DPRADSHVSA-N
HMDB51926,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-/t56-/m1/s1",GEWBNHKAFNIOQW,GOQJWURJSA,N,"TG(24:1(15Z)/14:0/18:3(9Z,12Z,15Z))",GEWBNHKAFNIOQW-GOQJWURJSA-N
HMDB51927,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,37,39,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-36,38,40-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-,39-37-/t56-/m1/s1",ACWHTKZYIQGMSY,QQXBGZNZSA,N,"TG(24:1(15Z)/14:0/18:4(6Z,9Z,12Z,15Z))",ACWHTKZYIQGMSY-QQXBGZNZSA-N
HMDB51928,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,34,36,58H,4-7,9-10,12-16,18-19,21-23,28-33,35,37-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,36-34-/t58-/m1/s1",CKLDQDPGKXJGPY,UCHYXIKMSA,N,"TG(24:1(15Z)/14:0/20:4(8Z,11Z,14Z,17Z))",CKLDQDPGKXJGPY-UCHYXIKMSA-N
HMDB51929,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,34,36,41,44,58H,4-7,9-10,12-16,18-19,21-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,36-34-,44-41-/t58-/m1/s1",BMRDSJJRXQLUQD,QOAXLLRMSA,N,"TG(24:1(15Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",BMRDSJJRXQLUQD-QOAXLLRMSA-N
HMDB51930,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,38,41,60H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,41-38-/t60-/m1/s1",OCZVBYXRRPOZFY,YQZKCMBXSA,N,"TG(24:1(15Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",OCZVBYXRRPOZFY-YQZKCMBXSA-N
HMDB51931,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,38,41,46,49,60H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,41-38-,49-46-/t60-/m1/s1",NCHJONNEJYLDLM,WQQCSWAISA,N,"TG(24:1(15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NCHJONNEJYLDLM-WQQCSWAISA-N
HMDB51932,902.866626771,C59H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h24,26,57H,4-23,25,27-56H2,1-3H3/b26-24-/t57-/m1/s1",ZUDALJHGXKNMOO,LDEKSDTBSA,N,TG(24:1(15Z)/14:0/o-18:0),ZUDALJHGXKNMOO-LDEKSDTBSA-N
HMDB51933,1012.9397917,C66H124O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-43-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,63H,4-24,29-62H2,1-3H3/b27-25-,28-26-",CAALSGREVUIKNN,LBXGSASVSA,N,TG(24:1(15Z)/15:0/24:1(15Z)),CAALSGREVUIKNN-LBXGSASVSA-N
HMDB51934,926.830241262,C60H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,57H,4-16,18-19,21-24,28-32,34-56H2,1-3H3/b20-17-,27-25-,33-26-/t57-/m1/s1",JJKFGVCMRIJWBI,ZMHWGGBRSA,N,"TG(24:1(15Z)/15:0/18:2(9Z,12Z))",JJKFGVCMRIJWBI-ZMHWGGBRSA-N
HMDB51935,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,38,40,57H,4-16,18-19,21-24,28-32,34-37,39,41-56H2,1-3H3/b20-17-,27-25-,33-26-,40-38-/t57-/m1/s1",ABBJVEBAFLLCTN,UHCIUADBSA,N,"TG(24:1(15Z)/15:0/18:3(6Z,9Z,12Z))",ABBJVEBAFLLCTN-UHCIUADBSA-N
HMDB51936,940.845891316,C61H112O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,58H,4-13,15-16,18-22,24,28-57H2,1-3H3/b17-14-,26-23-,27-25-",VXQASRRHTRCKIU,UHWOILSDSA,N,TG(24:1(15Z)/15:0/20:2n6),VXQASRRHTRCKIU-UHWOILSDSA-N
HMDB51937,952.845891326,C62H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,37,59H,4-16,18-19,21-24,29-34,36,38-58H2,1-3H3/b20-17-,27-25-,28-26-,37-35-/t59-/m1/s1",QQXYTJKKHDLIGK,UHEGFFLPSA,N,TG(24:1(15Z)/15:0/20:3n6),QQXYTJKKHDLIGK-UHEGFFLPSA-N
HMDB51938,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,37,42,45,59H,4-16,18-19,21-24,29-34,36,38-41,43-44,46-58H2,1-3H3/b20-17-,27-25-,28-26-,37-35-,45-42-/t59-/m1/s1",NSJKSSWKBZDBIQ,POQWEALBSA,N,"TG(24:1(15Z)/15:0/20:4(5Z,8Z,11Z,14Z))",NSJKSSWKBZDBIQ-POQWEALBSA-N
HMDB51939,982.89284152,C64H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,61H,4-16,18-19,21-24,29-60H2,1-3H3/b20-17-,27-25-,28-26-/t61-/m1/s1",KSXXIGZHTWNGAO,RNYWEOEBSA,N,"TG(24:1(15Z)/15:0/22:2(13Z,16Z))",KSXXIGZHTWNGAO-RNYWEOEBSA-N
HMDB51940,978.861541391,C64H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,39,42,61H,4-16,18-19,21-24,29-32,34,36-38,40-41,43-60H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-39-/t61-/m1/s1",RNCJNKNTRZWFSN,SWVATOIGSA,N,"TG(24:1(15Z)/15:0/22:4(7Z,10Z,13Z,16Z))",RNCJNKNTRZWFSN-SWVATOIGSA-N
HMDB51941,976.845891326,C64H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,39,42,47,50,61H,4-16,18-19,21-24,29-32,34,36-38,40-41,43-46,48-49,51-60H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-39-,50-47-/t61-/m1/s1",BNICBAVOOXPMKO,AFTXWGBHSA,N,"TG(24:1(15Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",BNICBAVOOXPMKO-AFTXWGBHSA-N
HMDB51942,924.814591198,C60H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-/t57-/m1/s1",IROOPZMKLWWAJR,LBVZHLKQSA,N,"TG(24:1(15Z)/15:0/18:3(9Z,12Z,15Z))",IROOPZMKLWWAJR-LBVZHLKQSA-N
HMDB51943,922.798941133,C60H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,38,40,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-37,39,41-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,40-38-/t57-/m1/s1",NNWWLTGMZJEFHU,BLAHESGOSA,N,"TG(24:1(15Z)/15:0/18:4(6Z,9Z,12Z,15Z))",NNWWLTGMZJEFHU-BLAHESGOSA-N
HMDB51944,950.830241262,C62H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,37,59H,4-7,9-10,12-16,18-19,21-24,29-34,36,38-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-35-/t59-/m1/s1",NDKGEZUIPXOOGW,NCWWGVJBSA,N,"TG(24:1(15Z)/15:0/20:4(8Z,11Z,14Z,17Z))",NDKGEZUIPXOOGW-NCWWGVJBSA-N
HMDB51945,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,37,42,45,59H,4-7,9-10,12-16,18-19,21-24,29-34,36,38-41,43-44,46-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-35-,45-42-/t59-/m1/s1",UBMVBOHZKJCSOD,XFIYARLRSA,N,"TG(24:1(15Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",UBMVBOHZKJCSOD-XFIYARLRSA-N
HMDB51946,976.845891326,C64H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,39,42,61H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-38,40-41,43-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-39-/t61-/m1/s1",HHHLDRUMPDYCJE,IRKVGWJISA,N,"TG(24:1(15Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",HHHLDRUMPDYCJE-IRKVGWJISA-N
HMDB51947,974.830241262,C64H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,39,42,47,50,61H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-38,40-41,43-46,48-49,51-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-39-,50-47-/t61-/m1/s1",MNOKHLWWIVBMQK,LCJKGULKSA,N,"TG(24:1(15Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MNOKHLWWIVBMQK-LCJKGULKSA-N
HMDB51948,916.882276835,C60H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-41-44-47-50-53-59(61)64-57-58(65-60(62)54-51-48-45-42-38-24-21-18-15-12-9-6-3)56-63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-/t58-/m1/s1",KTKPUKHMTCFBAX,WUVGZWILSA,N,TG(24:1(15Z)/15:0/o-18:0),KTKPUKHMTCFBAX-WUVGZWILSA-N
HMDB51949,1026.955441764,C67H126O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,64H,4-24,29-63H2,1-3H3/b27-25-,28-26-",PMKLAYCBYKDPII,LBXGSASVSA,N,TG(24:1(15Z)/16:0/24:1(15Z)),PMKLAYCBYKDPII-LBXGSASVSA-N
HMDB51950,940.845891326,C61H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,58H,4-16,18-19,21-24,28-32,34-57H2,1-3H3/b20-17-,27-25-,33-26-/t58-/m1/s1",ULURBNZZTGHIHV,PWVLQJRVSA,N,"TG(24:1(15Z)/16:0/18:2(9Z,12Z))",ULURBNZZTGHIHV-PWVLQJRVSA-N
HMDB51951,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,38,41,58H,4-16,18-19,21-24,28-32,34-37,39-40,42-57H2,1-3H3/b20-17-,27-25-,33-26-,41-38-/t58-/m1/s1",GBQSFVXSYJLCAE,YQDBSOIPSA,N,"TG(24:1(15Z)/16:0/18:3(6Z,9Z,12Z))",GBQSFVXSYJLCAE-YQDBSOIPSA-N
HMDB51952,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,60H,4-16,18-19,21-24,29-59H2,1-3H3/b20-17-,27-25-,28-26-/t60-/m1/s1",QUQYRBGCIMSPCK,XTWJSKLOSA,N,TG(24:1(15Z)/16:0/20:2n6),QUQYRBGCIMSPCK-XTWJSKLOSA-N
HMDB51953,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,38,60H,4-16,18-19,21-24,29-34,36-37,39-59H2,1-3H3/b20-17-,27-25-,28-26-,38-35-/t60-/m1/s1",XZWHNXBAQKSDHH,JZTMEDRYSA,N,TG(24:1(15Z)/16:0/20:3n6),XZWHNXBAQKSDHH-JZTMEDRYSA-N
HMDB51954,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,38,43,46,60H,4-16,18-19,21-24,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b20-17-,27-25-,28-26-,38-35-,46-43-/t60-/m1/s1",QSWDCFMAGFRFLB,BDZCCHQKSA,N,"TG(24:1(15Z)/16:0/20:4(5Z,8Z,11Z,14Z))",QSWDCFMAGFRFLB-BDZCCHQKSA-N
HMDB51955,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,62H,4-16,18-19,21-24,29-61H2,1-3H3/b20-17-,27-25-,28-26-/t62-/m1/s1",PCKSZAPTZLXKAE,JBRKGUNNSA,N,"TG(24:1(15Z)/16:0/22:2(13Z,16Z))",PCKSZAPTZLXKAE-JBRKGUNNSA-N
HMDB51956,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,40,42,62H,4-16,18-19,21-24,29-32,34,36-39,41,43-61H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-40-/t62-/m1/s1",BQNMISZXOWLCHI,GZRDDBLVSA,N,"TG(24:1(15Z)/16:0/22:4(7Z,10Z,13Z,16Z))",BQNMISZXOWLCHI-GZRDDBLVSA-N
HMDB51957,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,40,42,48,51,62H,4-16,18-19,21-24,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-40-,51-48-/t62-/m1/s1",DZLDSDOHMBEDBM,QASVGFLXSA,N,"TG(24:1(15Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",DZLDSDOHMBEDBM-QASVGFLXSA-N
HMDB51958,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-/t58-/m1/s1",QCNRTBOAVXTQRH,SNKJKWPVSA,N,"TG(24:1(15Z)/16:0/18:3(9Z,12Z,15Z))",QCNRTBOAVXTQRH-SNKJKWPVSA-N
HMDB51959,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,38,41,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,41-38-/t58-/m1/s1",CAUGXEYHNWRMQS,OZFKJWEESA,N,"TG(24:1(15Z)/16:0/18:4(6Z,9Z,12Z,15Z))",CAUGXEYHNWRMQS-OZFKJWEESA-N
HMDB51960,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,38,60H,4-7,9-10,12-16,18-19,21-24,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-35-/t60-/m1/s1",BXVJGJVJSKVGMC,ODQDLHOGSA,N,"TG(24:1(15Z)/16:0/20:4(8Z,11Z,14Z,17Z))",BXVJGJVJSKVGMC-ODQDLHOGSA-N
HMDB51961,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,38,43,46,60H,4-7,9-10,12-16,18-19,21-24,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-35-,46-43-/t60-/m1/s1",OYZCTROWQJHDDM,ULEWYUDKSA,N,"TG(24:1(15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",OYZCTROWQJHDDM-ULEWYUDKSA-N
HMDB51962,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,40,42,62H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-39,41,43-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-40-/t62-/m1/s1",HCSCIVRTVDDZEE,MMSOTAPDSA,N,"TG(24:1(15Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",HCSCIVRTVDDZEE-MMSOTAPDSA-N
HMDB51963,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,40,42,48,51,62H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-40-,51-48-/t62-/m1/s1",BKKWTPGUGUJTCR,UKEAHJOUSA,N,"TG(24:1(15Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BKKWTPGUGUJTCR-UKEAHJOUSA-N
HMDB51964,930.8979269,C61H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-39-42-45-48-51-54-60(62)65-58-59(66-61(63)55-52-49-46-43-40-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-/t59-/m1/s1",RYAKFVUZNLXTQT,FUFLWFNLSA,N,TG(24:1(15Z)/16:0/o-18:0),RYAKFVUZNLXTQT-FUFLWFNLSA-N
HMDB51965,1054.986741892,C69H130O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-",NAJPEVWYUQNDKC,RZEXXKRKSA,N,TG(24:1(15Z)/18:0/24:1(15Z)),NAJPEVWYUQNDKC-RZEXXKRKSA-N
HMDB51966,968.877191455,C63H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,34,60H,4-16,18-19,21-24,27,29-33,35-59H2,1-3H3/b20-17-,28-25-,34-26-/t60-/m1/s1",UFUYTFWOBBTMIA,JOOBHXTJSA,N,"TG(24:1(15Z)/18:0/18:2(9Z,12Z))",UFUYTFWOBBTMIA-JOOBHXTJSA-N
HMDB51967,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,34,40,43,60H,4-16,18-19,21-24,27,29-33,35-39,41-42,44-59H2,1-3H3/b20-17-,28-25-,34-26-,43-40-/t60-/m1/s1",NNBFKLFMPMDQEJ,ZUPCQKIOSA,N,"TG(24:1(15Z)/18:0/18:3(6Z,9Z,12Z))",NNBFKLFMPMDQEJ-ZUPCQKIOSA-N
HMDB51968,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,62H,4-16,18-19,21-24,27,30-61H2,1-3H3/b20-17-,28-25-,29-26-/t62-/m1/s1",SHBQYXNXFIRRGO,LXMQAQNNSA,N,TG(24:1(15Z)/18:0/20:2n6),SHBQYXNXFIRRGO-LXMQAQNNSA-N
HMDB51969,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,39,62H,4-16,18-19,21-24,27,30-36,38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,39-37-/t62-/m1/s1",LAGOFMGZZPQKIX,WXOATGMDSA,N,TG(24:1(15Z)/18:0/20:3n6),LAGOFMGZZPQKIX-WXOATGMDSA-N
HMDB51970,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,39,45,48,62H,4-16,18-19,21-24,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,39-37-,48-45-/t62-/m1/s1",IPYJCSVBWFHXDN,KJMYZLFCSA,N,"TG(24:1(15Z)/18:0/20:4(5Z,8Z,11Z,14Z))",IPYJCSVBWFHXDN-KJMYZLFCSA-N
HMDB51971,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,64H,4-16,18-19,21-24,27,30-63H2,1-3H3/b20-17-,28-25-,29-26-/t64-/m1/s1",MGWAUHBAKDXDEA,VIKFBVAMSA,N,"TG(24:1(15Z)/18:0/22:2(13Z,16Z))",MGWAUHBAKDXDEA-VIKFBVAMSA-N
HMDB51972,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,36,41,44,64H,4-16,18-19,21-24,27,30-33,35,37-40,42-43,45-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,44-41-/t64-/m1/s1",BJTIULNDICGAMM,OEHCWHINSA,N,"TG(24:1(15Z)/18:0/22:4(7Z,10Z,13Z,16Z))",BJTIULNDICGAMM-OEHCWHINSA-N
HMDB51973,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,36,41,44,50,53,64H,4-16,18-19,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,44-41-,53-50-/t64-/m1/s1",SWNHNBGTBGVDCZ,MASLECJUSA,N,"TG(24:1(15Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",SWNHNBGTBGVDCZ-MASLECJUSA-N
HMDB51974,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,34,60H,4-7,9-10,12-16,18-19,21-24,27,29-33,35-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-/t60-/m1/s1",OKMPYBUPDFDIHC,LDOFVRLXSA,N,"TG(24:1(15Z)/18:0/18:3(9Z,12Z,15Z))",OKMPYBUPDFDIHC-LDOFVRLXSA-N
HMDB51975,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,34,40,43,60H,4-7,9-10,12-16,18-19,21-24,27,29-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-,43-40-/t60-/m1/s1",MWLKTPCHSMXLLY,KYXQNJKZSA,N,"TG(24:1(15Z)/18:0/18:4(6Z,9Z,12Z,15Z))",MWLKTPCHSMXLLY-KYXQNJKZSA-N
HMDB51976,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,39,62H,4-7,9-10,12-16,18-19,21-24,27,30-36,38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-37-/t62-/m1/s1",PKWPXBJJTADGGR,RWETZHRLSA,N,"TG(24:1(15Z)/18:0/20:4(8Z,11Z,14Z,17Z))",PKWPXBJJTADGGR-RWETZHRLSA-N
HMDB51977,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-37-,48-45-/t62-/m1/s1",MZFTVJUYNQPJCV,ILWNAJCUSA,N,"TG(24:1(15Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",MZFTVJUYNQPJCV-ILWNAJCUSA-N
HMDB51978,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,41,44,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,44-41-/t64-/m1/s1",XERIPFONOJAVSW,LAAAOXGESA,N,"TG(24:1(15Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",XERIPFONOJAVSW-LAAAOXGESA-N
HMDB51979,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,41,44,50,53,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,44-41-,53-50-/t64-/m1/s1",UMRPGYGGXKMOPH,GFTUNTHASA,N,"TG(24:1(15Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UMRPGYGGXKMOPH-GFTUNTHASA-N
HMDB51980,958.929227028,C63H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-/t61-/m1/s1",MJAVAMAWXATTJN,NYRYLARASA,N,TG(24:1(15Z)/18:0/o-18:0),MJAVAMAWXATTJN-NYRYLARASA-N
HMDB51981,1083.01804202,C71H134O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,68H,4-24,27,30-67H2,1-3H3/b28-25-,29-26-",ALFMGSMUPZGNRV,RZEXXKRKSA,N,TG(24:1(15Z)/20:0/24:1(15Z)),ALFMGSMUPZGNRV-RZEXXKRKSA-N
HMDB51982,996.908491584,C65H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,62H,4-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b21-18-,28-25-,36-27-/t62-/m1/s1",UOXJAGMZQKZBEN,VIRZPCQBSA,N,"TG(24:1(15Z)/20:0/18:2(9Z,12Z))",UOXJAGMZQKZBEN-VIRZPCQBSA-N
HMDB51983,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,42,45,62H,4-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,36-27-,45-42-/t62-/m1/s1",UAQJJIJFFMYAGM,BOKIDYLASA,N,"TG(24:1(15Z)/20:0/18:3(6Z,9Z,12Z))",UAQJJIJFFMYAGM-BOKIDYLASA-N
HMDB51984,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,64H,4-16,18-19,21-24,27,30-63H2,1-3H3/b20-17-,28-25-,29-26-/t64-/m1/s1",KRPNAUPTQXOLKO,VIKFBVAMSA,N,TG(24:1(15Z)/20:0/20:2n6),KRPNAUPTQXOLKO-VIKFBVAMSA-N
HMDB51985,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,64H,4-16,18-19,21-24,27,30-37,39-40,42-63H2,1-3H3/b20-17-,28-25-,29-26-,41-38-/t64-/m1/s1",AUWALCYXZGWSRM,JYOIVXMMSA,N,TG(24:1(15Z)/20:0/20:3n6),AUWALCYXZGWSRM-JYOIVXMMSA-N
HMDB51986,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,47,50,64H,4-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,28-25-,29-26-,41-38-,50-47-/t64-/m1/s1",GFBXEHIDGXBBFP,ZBIPHPGZSA,N,"TG(24:1(15Z)/20:0/20:4(5Z,8Z,11Z,14Z))",GFBXEHIDGXBBFP-ZBIPHPGZSA-N
HMDB51987,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,66H,4-16,18-19,21-24,27,30-65H2,1-3H3/b20-17-,28-25-,29-26-/t66-/m1/s1",NUWSJHNGFIULLT,URLUKHMNSA,N,"TG(24:1(15Z)/20:0/22:2(13Z,16Z))",NUWSJHNGFIULLT-URLUKHMNSA-N
HMDB51988,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,43,46,66H,4-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-65H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,46-43-/t66-/m1/s1",ZKPPZABYPUKGLQ,YSIJYPNGSA,N,"TG(24:1(15Z)/20:0/22:4(7Z,10Z,13Z,16Z))",ZKPPZABYPUKGLQ-YSIJYPNGSA-N
HMDB51989,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,43,46,52,55,66H,4-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,46-43-,55-52-/t66-/m1/s1",HXZXFNKFCMLWFR,GMCLIZIZSA,N,"TG(24:1(15Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",HXZXFNKFCMLWFR-GMCLIZIZSA-N
HMDB51990,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-/t62-/m1/s1",XFVMWYLZDSDLOD,LKWUKGODSA,N,"TG(24:1(15Z)/20:0/18:3(9Z,12Z,15Z))",XFVMWYLZDSDLOD-LKWUKGODSA-N
HMDB51991,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-,45-42-/t62-/m1/s1",OIXIFKWUFZIKRK,SRJOKPMTSA,N,"TG(24:1(15Z)/20:0/18:4(6Z,9Z,12Z,15Z))",OIXIFKWUFZIKRK-SRJOKPMTSA-N
HMDB51992,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,38,41,64H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-/t64-/m1/s1",TWADEMWOASCLBY,FPVSQKQBSA,N,"TG(24:1(15Z)/20:0/20:4(8Z,11Z,14Z,17Z))",TWADEMWOASCLBY-FPVSQKQBSA-N
HMDB51993,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-,50-47-/t64-/m1/s1",ONBGYGVBXBVYJU,QDQSKHKUSA,N,"TG(24:1(15Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",ONBGYGVBXBVYJU-QDQSKHKUSA-N
HMDB51994,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,43,46,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,46-43-/t66-/m1/s1",AKWKEUWJQZSSOX,JLMJEABWSA,N,"TG(24:1(15Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",AKWKEUWJQZSSOX-JLMJEABWSA-N
HMDB51995,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,43,46,52,55,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,46-43-,55-52-/t66-/m1/s1",RTBCVOUDWSDBLG,QQMUGQJXSA,N,"TG(24:1(15Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RTBCVOUDWSDBLG-QQMUGQJXSA-N
HMDB51996,986.960527157,C65H126O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-/t63-/m1/s1",FQGGSKHHXHZSRS,QJXSGVRKSA,N,TG(24:1(15Z)/20:0/o-18:0),FQGGSKHHXHZSRS-QJXSGVRKSA-N
HMDB51997,1111.049342148,C73H138O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,70H,4-24,27,30-69H2,1-3H3/b28-25-,29-26-",HXJLRXYUNOGZSP,RZEXXKRKSA,N,TG(24:1(15Z)/22:0/24:1(15Z)),HXJLRXYUNOGZSP-RZEXXKRKSA-N
HMDB51998,1024.939791713,C67H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,38,64H,4-17,19-20,22-24,26,29-37,39-63H2,1-3H3/b21-18-,28-25-,38-27-/t64-/m1/s1",ACEDJYRMRJIFBA,LXNXVSDASA,N,"TG(24:1(15Z)/22:0/18:2(9Z,12Z))",ACEDJYRMRJIFBA-LXNXVSDASA-N
HMDB51999,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,38,44,47,64H,4-17,19-20,22-24,26,29-37,39-43,45-46,48-63H2,1-3H3/b21-18-,28-25-,38-27-,47-44-/t64-/m1/s1",IUUSIOPQIWKHRY,YACCONEYSA,N,"TG(24:1(15Z)/22:0/18:3(6Z,9Z,12Z))",IUUSIOPQIWKHRY-YACCONEYSA-N
HMDB52000,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,66H,4-17,19-20,22-24,26,29,31-65H2,1-3H3/b21-18-,28-25-,30-27-/t66-/m1/s1",KHKDZWHDJXXGMK,ZQXOHPJQSA,N,TG(24:1(15Z)/22:0/20:2n6),KHKDZWHDJXXGMK-ZQXOHPJQSA-N
HMDB52001,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,66H,4-17,19-20,22-24,26,29,31-39,41-42,44-65H2,1-3H3/b21-18-,28-25-,30-27-,43-40-/t66-/m1/s1",KWYBEWCPKGWAHW,VLYDUKISSA,N,TG(24:1(15Z)/22:0/20:3n6),KWYBEWCPKGWAHW-VLYDUKISSA-N
HMDB52002,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,49,52,66H,4-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,28-25-,30-27-,43-40-,52-49-/t66-/m1/s1",WIJZBLYAVRRIRQ,QWOMWQHBSA,N,"TG(24:1(15Z)/22:0/20:4(5Z,8Z,11Z,14Z))",WIJZBLYAVRRIRQ-QWOMWQHBSA-N
HMDB52003,1081.00239197,C71H132O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,68H,4-16,18-19,21-24,27,30-67H2,1-3H3/b20-17-,28-25-,29-26-/t68-/m1/s1",VBSVLBOBGBGZDP,QGCHZIISSA,N,"TG(24:1(15Z)/22:0/22:2(13Z,16Z))",VBSVLBOBGBGZDP-QGCHZIISSA-N
HMDB52004,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,45,48,68H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-/t68-/m1/s1",IBXXNATXDQOWSC,NWPQRGTRSA,N,"TG(24:1(15Z)/22:0/22:4(7Z,10Z,13Z,16Z))",IBXXNATXDQOWSC-NWPQRGTRSA-N
HMDB52005,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,45,48,54,57,68H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-,57-54-/t68-/m1/s1",BOSFAEQMOXZRIX,WRZFEERNSA,N,"TG(24:1(15Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",BOSFAEQMOXZRIX-WRZFEERNSA-N
HMDB52006,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-/t64-/m1/s1",CXOHMHDDTQOTBV,UEMJABDASA,N,"TG(24:1(15Z)/22:0/18:3(9Z,12Z,15Z))",CXOHMHDDTQOTBV-UEMJABDASA-N
HMDB52007,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,44,47,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-,47-44-/t64-/m1/s1",RPWCHGCXOIANSF,SAQUTDIFSA,N,"TG(24:1(15Z)/22:0/18:4(6Z,9Z,12Z,15Z))",RPWCHGCXOIANSF-SAQUTDIFSA-N
HMDB52008,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-/t66-/m1/s1",OABSUKYLIMRQEY,BSPFKKARSA,N,"TG(24:1(15Z)/22:0/20:4(8Z,11Z,14Z,17Z))",OABSUKYLIMRQEY-BSPFKKARSA-N
HMDB52009,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-,52-49-/t66-/m1/s1",HKYWQPWTJASTLQ,YXEBKPRJSA,N,"TG(24:1(15Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",HKYWQPWTJASTLQ-YXEBKPRJSA-N
HMDB52010,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-/t68-/m1/s1",IYJBTJNVPODWSR,WUUZKYHKSA,N,"TG(24:1(15Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",IYJBTJNVPODWSR-WUUZKYHKSA-N
HMDB52011,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-,57-54-/t68-/m1/s1",VGHAYUAWTDLYHC,LNZPNASSSA,N,"TG(24:1(15Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VGHAYUAWTDLYHC-LNZPNASSSA-N
HMDB52012,1014.991827286,C67H130O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,65H,4-24,26-27,29-64H2,1-3H3/b28-25-/t65-/m1/s1",IIXMYNVANVBPRN,RDRFMKFZSA,N,TG(24:1(15Z)/22:0/o-18:0),IIXMYNVANVBPRN-RDRFMKFZSA-N
HMDB52013,1139.080642276,C75H142O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C75H142O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,72H,4-24,27,30-71H2,1-3H3/b28-25-,29-26-",LZUICRHQPQRJES,RZEXXKRKSA,N,TG(24:1(15Z)/24:0/24:1(15Z)),LZUICRHQPQRJES-RZEXXKRKSA-N
HMDB52014,1052.971091842,C69H128O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,40,66H,4-17,19-20,22-24,26,29-39,41-65H2,1-3H3/b21-18-,28-25-,40-27-/t66-/m1/s1",SHCDPABGWQTHGP,RGUNPMLXSA,N,"TG(24:1(15Z)/24:0/18:2(9Z,12Z))",SHCDPABGWQTHGP-RGUNPMLXSA-N
HMDB52015,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,40,46,49,66H,4-17,19-20,22-24,26,29-39,41-45,47-48,50-65H2,1-3H3/b21-18-,28-25-,40-27-,49-46-/t66-/m1/s1",UUJAUNCAJIFSDX,YFDMEPAESA,N,"TG(24:1(15Z)/24:0/18:3(6Z,9Z,12Z))",UUJAUNCAJIFSDX-YFDMEPAESA-N
HMDB52016,1081.00239197,C71H132O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,68H,4-17,19-20,22-24,26,29,31-67H2,1-3H3/b21-18-,28-25-,30-27-/t68-/m1/s1",JWWYPJRNYQLXQX,KLPDHWSGSA,N,TG(24:1(15Z)/24:0/20:2n6),JWWYPJRNYQLXQX-KLPDHWSGSA-N
HMDB52017,1078.986741906,C71H130O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,42,45,68H,4-17,19-20,22-24,26,29,31-41,43-44,46-67H2,1-3H3/b21-18-,28-25-,30-27-,45-42-/t68-/m1/s1",PYYPZVWGBYJUGZ,JFZCYXSXSA,N,TG(24:1(15Z)/24:0/20:3n6),PYYPZVWGBYJUGZ-JFZCYXSXSA-N
HMDB52018,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,42,45,51,54,68H,4-17,19-20,22-24,26,29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b21-18-,28-25-,30-27-,45-42-,54-51-/t68-/m1/s1",WBCSYTNDMTYIFL,YNHBFFCPSA,N,"TG(24:1(15Z)/24:0/20:4(5Z,8Z,11Z,14Z))",WBCSYTNDMTYIFL-YNHBFFCPSA-N
HMDB52019,1109.033692099,C73H136O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,70H,4-17,19-20,22-24,26,29,31-69H2,1-3H3/b21-18-,28-25-,30-27-/t70-/m1/s1",BGAFKPAOQOBXHD,IIQFNESESA,N,"TG(24:1(15Z)/24:0/22:2(13Z,16Z))",BGAFKPAOQOBXHD-IIQFNESESA-N
HMDB52020,1105.00239197,C73H132O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,47,50,70H,4-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b21-18-,28-25-,30-27-,41-38-,50-47-/t70-/m1/s1",NKXBHZWTGPLMKO,WSJKGLCCSA,N,"TG(24:1(15Z)/24:0/22:4(7Z,10Z,13Z,16Z))",NKXBHZWTGPLMKO-WSJKGLCCSA-N
HMDB52021,1102.986741906,C73H130O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,47,50,56,59,70H,4-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b21-18-,28-25-,30-27-,41-38-,50-47-,59-56-/t70-/m1/s1",CCUGUDFZFHKIAS,JNQCOEDBSA,N,"TG(24:1(15Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",CCUGUDFZFHKIAS-JNQCOEDBSA-N
HMDB52022,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,40,66H,4-8,10-11,13-17,19-20,22-24,26,29-39,41-65H2,1-3H3/b12-9-,21-18-,28-25-,40-27-/t66-/m1/s1",ZPUXANRLTXVJRB,CPTUCAHJSA,N,"TG(24:1(15Z)/24:0/18:3(9Z,12Z,15Z))",ZPUXANRLTXVJRB-CPTUCAHJSA-N
HMDB52023,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,40,46,49,66H,4-8,10-11,13-17,19-20,22-24,26,29-39,41-45,47-48,50-65H2,1-3H3/b12-9-,21-18-,28-25-,40-27-,49-46-/t66-/m1/s1",CJKRFUTZWOSGTM,FADVGCLWSA,N,"TG(24:1(15Z)/24:0/18:4(6Z,9Z,12Z,15Z))",CJKRFUTZWOSGTM-FADVGCLWSA-N
HMDB52024,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,42,45,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-41,43-44,46-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,45-42-/t68-/m1/s1",LAERRRRZYXXUII,UICXUIQRSA,N,"TG(24:1(15Z)/24:0/20:4(8Z,11Z,14Z,17Z))",LAERRRRZYXXUII-UICXUIQRSA-N
HMDB52025,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,42,45,51,54,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,45-42-,54-51-/t68-/m1/s1",LLJFKZXZJQXHLJ,KHIMWZBKSA,N,"TG(24:1(15Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",LLJFKZXZJQXHLJ-KHIMWZBKSA-N
HMDB52026,1102.986741906,C73H130O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,47,50,70H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-,50-47-/t70-/m1/s1",ZEHWPTVTNHIUME,DYMPBGPQSA,N,"TG(24:1(15Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",ZEHWPTVTNHIUME-DYMPBGPQSA-N
HMDB52027,1100.971091842,C73H128O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,47,50,56,59,70H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-,50-47-,59-56-/t70-/m1/s1",FMVOVPIHEKZWBR,CVZADJDESA,N,"TG(24:1(15Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FMVOVPIHEKZWBR-CVZADJDESA-N
HMDB52028,1043.023127415,C69H134O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H134O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-66-67(65-72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,67H,4-24,26-27,29-66H2,1-3H3/b28-25-/t67-/m1/s1",JOWGDZZUUDORLY,QJGHWQPCSA,N,TG(24:1(15Z)/24:0/o-18:0),JOWGDZZUUDORLY-QJGHWQPCSA-N
HMDB52029,996.908491572,C65H120O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,62H,4-14,16-17,19-23,28-61H2,1-3H3/b18-15-,26-24-,27-25-",USBAVHCVBJLKTR,JEDOZFSMSA,N,TG(24:1(15Z)/14:1(9Z)/24:1(15Z)),USBAVHCVBJLKTR-JEDOZFSMSA-N
HMDB52030,910.798941133,C59H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,32,56H,4-14,16,19,21-23,27-31,33-55H2,1-3H3/b18-15-,20-17-,26-24-,32-25-/t56-/m1/s1",HWORDYIMMVMWHK,PZKMIUELSA,N,"TG(24:1(15Z)/14:1(9Z)/18:2(9Z,12Z))",HWORDYIMMVMWHK-PZKMIUELSA-N
HMDB52031,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,32,37,39,56H,4-14,16,19,21-23,27-31,33-36,38,40-55H2,1-3H3/b18-15-,20-17-,26-24-,32-25-,39-37-/t56-/m1/s1",XVWODLHVAHKWDL,OEPAISGXSA,N,"TG(24:1(15Z)/14:1(9Z)/18:3(6Z,9Z,12Z))",XVWODLHVAHKWDL-OEPAISGXSA-N
HMDB52032,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,58H,4-14,16,19,21-23,28-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-/t58-/m1/s1",PWBWZFOUPAVKBH,NSRVMUEISA,N,TG(24:1(15Z)/14:1(9Z)/20:2n6),PWBWZFOUPAVKBH-NSRVMUEISA-N
HMDB52033,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,34,36,58H,4-14,16,19,21-23,28-33,35,37-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,36-34-/t58-/m1/s1",JYUZKKIXSJULCZ,OUEWNGRISA,N,TG(24:1(15Z)/14:1(9Z)/20:3n6),JYUZKKIXSJULCZ-OUEWNGRISA-N
HMDB52034,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,34,36,41,44,58H,4-14,16,19,21-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,36-34-,44-41-/t58-/m1/s1",MKPFROLUCULSSR,XDWRBRJJSA,N,"TG(24:1(15Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",MKPFROLUCULSSR-XDWRBRJJSA-N
HMDB52035,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,60H,4-14,16,19,21-23,28-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-/t60-/m1/s1",HUFAUCRKBKDFDP,WFSYSZDYSA,N,"TG(24:1(15Z)/14:1(9Z)/22:2(13Z,16Z))",HUFAUCRKBKDFDP-WFSYSZDYSA-N
HMDB52036,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,38,41,60H,4-14,16,19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,41-38-/t60-/m1/s1",LIBQPQCZEFGZPS,LTNPSJMOSA,N,"TG(24:1(15Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",LIBQPQCZEFGZPS-LTNPSJMOSA-N
HMDB52037,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,38,41,46,49,60H,4-14,16,19,21-23,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,41-38-,49-46-/t60-/m1/s1",OFMKIJCXOULKTR,ADJKMPCTSA,N,"TG(24:1(15Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OFMKIJCXOULKTR-ADJKMPCTSA-N
HMDB52038,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-/t56-/m1/s1",YBLNHDWKFDZCQG,OPJVZASXSA,N,"TG(24:1(15Z)/14:1(9Z)/18:3(9Z,12Z,15Z))",YBLNHDWKFDZCQG-OPJVZASXSA-N
HMDB52039,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,37,39,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-36,38,40-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-,39-37-/t56-/m1/s1",CYSHDEKIFUVQSV,ONZFEHBMSA,N,"TG(24:1(15Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",CYSHDEKIFUVQSV-ONZFEHBMSA-N
HMDB52040,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,34,36,58H,4-7,9-10,12-14,16,19,21-23,28-33,35,37-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,36-34-/t58-/m1/s1",FDICSYQZHQAPIH,CGCGXJBNSA,N,"TG(24:1(15Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",FDICSYQZHQAPIH-CGCGXJBNSA-N
HMDB52041,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,34,36,41,44,58H,4-7,9-10,12-14,16,19,21-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,36-34-,44-41-/t58-/m1/s1",AESIOTWDMBIECG,XAYXMFNZSA,N,"TG(24:1(15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",AESIOTWDMBIECG-XAYXMFNZSA-N
HMDB52042,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,38,41,60H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,41-38-/t60-/m1/s1",UYJLHSOUNBIUQY,BDZHQUQHSA,N,"TG(24:1(15Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UYJLHSOUNBIUQY-BDZHQUQHSA-N
HMDB52043,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,38,41,46,49,60H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,41-38-,49-46-/t60-/m1/s1",QIPKPBOQLFJNQW,JYDVVZDMSA,N,"TG(24:1(15Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QIPKPBOQLFJNQW-JYDVVZDMSA-N
HMDB52044,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,57H,4-14,16-17,19-23,25,27-56H2,1-3H3/b18-15-,26-24-/t57-/m1/s1",XPDLXJYQTJBVLY,LRLRNOKKSA,N,TG(24:1(15Z)/14:1(9Z)/o-18:0),XPDLXJYQTJBVLY-LRLRNOKKSA-N
HMDB52045,1024.9397917,C67H124O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,64H,4-20,22-23,29-63H2,1-3H3/b24-21-,27-25-,28-26-",RYOXBHVIRFUQLD,CABVQDRLSA,N,TG(24:1(15Z)/16:1(9Z)/24:1(15Z)),RYOXBHVIRFUQLD-CABVQDRLSA-N
HMDB52046,938.830241262,C61H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,33,58H,4-16,18-19,22-23,28-32,34-57H2,1-3H3/b20-17-,24-21-,27-25-,33-26-/t58-/m1/s1",DWQHZFVQEBNFQY,XRXULKSWSA,N,"TG(24:1(15Z)/16:1(9Z)/18:2(9Z,12Z))",DWQHZFVQEBNFQY-XRXULKSWSA-N
HMDB52047,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,33,38,41,58H,4-16,18-19,22-23,28-32,34-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,27-25-,33-26-,41-38-/t58-/m1/s1",WUZSBJQWFXWRGS,FEUVADGTSA,N,"TG(24:1(15Z)/16:1(9Z)/18:3(6Z,9Z,12Z))",WUZSBJQWFXWRGS-FEUVADGTSA-N
HMDB52048,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,60H,4-16,18-19,22-23,29-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-/t60-/m1/s1",SBNMRUIGCHPGON,RKIBRSHDSA,N,TG(24:1(15Z)/16:1(9Z)/20:2n6),SBNMRUIGCHPGON-RKIBRSHDSA-N
HMDB52049,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,35,38,60H,4-16,18-19,22-23,29-34,36-37,39-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,38-35-/t60-/m1/s1",ZAMSJHWTYQXQPY,JZDSNLEASA,N,TG(24:1(15Z)/16:1(9Z)/20:3n6),ZAMSJHWTYQXQPY-JZDSNLEASA-N
HMDB52050,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,35,38,43,46,60H,4-16,18-19,22-23,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,38-35-,46-43-/t60-/m1/s1",PQVAMULAOIDXID,FNEXOFSJSA,N,"TG(24:1(15Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",PQVAMULAOIDXID-FNEXOFSJSA-N
HMDB52051,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,62H,4-16,18-19,22-23,29-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-/t62-/m1/s1",VVCUCPRHQFNYQR,GTKYAUQJSA,N,"TG(24:1(15Z)/16:1(9Z)/22:2(13Z,16Z))",VVCUCPRHQFNYQR-GTKYAUQJSA-N
HMDB52052,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,35,40,42,62H,4-16,18-19,22-23,29-32,34,36-39,41,43-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,35-33-,42-40-/t62-/m1/s1",HBPJTKQJXJLKEV,MPMVYVKKSA,N,"TG(24:1(15Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",HBPJTKQJXJLKEV-MPMVYVKKSA-N
HMDB52053,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,35,40,42,48,51,62H,4-16,18-19,22-23,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,35-33-,42-40-,51-48-/t62-/m1/s1",BPORQXOLICNKQD,VUSBNUCTSA,N,"TG(24:1(15Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BPORQXOLICNKQD-VUSBNUCTSA-N
HMDB52054,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-/t58-/m1/s1",ZYWIKYFDUOJVGE,SGSLDMRGSA,N,"TG(24:1(15Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",ZYWIKYFDUOJVGE-SGSLDMRGSA-N
HMDB52055,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,38,41,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-,41-38-/t58-/m1/s1",ZJGKFOMMDYWYPK,HIIDDRDJSA,N,"TG(24:1(15Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",ZJGKFOMMDYWYPK-HIIDDRDJSA-N
HMDB52056,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,35,38,60H,4-7,9-10,12-16,18-19,22-23,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,38-35-/t60-/m1/s1",PJDOXWVMHBYGBX,VBYALZHZSA,N,"TG(24:1(15Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",PJDOXWVMHBYGBX-VBYALZHZSA-N
HMDB52057,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,35,38,43,46,60H,4-7,9-10,12-16,18-19,22-23,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,38-35-,46-43-/t60-/m1/s1",OMUWTAWNAFJYNY,DZHPYKKFSA,N,"TG(24:1(15Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",OMUWTAWNAFJYNY-DZHPYKKFSA-N
HMDB52058,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,35,40,42,62H,4-7,9-10,12-16,18-19,22-23,29-32,34,36-39,41,43-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-33-,42-40-/t62-/m1/s1",NUIHDJVRHUNFRR,NWMZGXCVSA,N,"TG(24:1(15Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NUIHDJVRHUNFRR-NWMZGXCVSA-N
HMDB52059,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,35,40,42,48,51,62H,4-7,9-10,12-16,18-19,22-23,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-33-,42-40-,51-48-/t62-/m1/s1",BUNSDAQXLMPRTC,ARSRBVTBSA,N,"TG(24:1(15Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BUNSDAQXLMPRTC-ARSRBVTBSA-N
HMDB52060,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-39-42-45-48-51-54-60(62)65-58-59(66-61(63)55-52-49-46-43-40-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,59H,4-20,22-23,26,28-58H2,1-3H3/b24-21-,27-25-/t59-/m1/s1",JQKSTWZRLSFFJF,JLSFSZCSSA,N,TG(24:1(15Z)/16:1(9Z)/o-18:0),JQKSTWZRLSFFJF-JLSFSZCSSA-N
HMDB52061,1052.971091828,C69H128O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,66H,4-20,22-23,27,30-65H2,1-3H3/b24-21-,28-25-,29-26-",ICEFLSKMYVSDTL,HGKIKGFLSA,N,TG(24:1(15Z)/18:1(11Z)/24:1(15Z)),ICEFLSKMYVSDTL-HGKIKGFLSA-N
HMDB52062,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,34,60H,4-16,18-19,22-23,27,29-33,35-59H2,1-3H3/b20-17-,24-21-,28-25-,34-26-/t60-/m1/s1",OQDCWOUJNQSYMR,DPJMPHFLSA,N,"TG(24:1(15Z)/18:1(11Z)/18:2(9Z,12Z))",OQDCWOUJNQSYMR-DPJMPHFLSA-N
HMDB52063,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,34,40,43,60H,4-16,18-19,22-23,27,29-33,35-39,41-42,44-59H2,1-3H3/b20-17-,24-21-,28-25-,34-26-,43-40-/t60-/m1/s1",FQOOBZWSSFBGRJ,PUXYSJNBSA,N,"TG(24:1(15Z)/18:1(11Z)/18:3(6Z,9Z,12Z))",FQOOBZWSSFBGRJ-PUXYSJNBSA-N
HMDB52064,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,62H,4-16,18-19,22-23,27,30-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-/t62-/m1/s1",UBRCULLWKRAXNG,DVWWHAOESA,N,TG(24:1(15Z)/18:1(11Z)/20:2n6),UBRCULLWKRAXNG-DVWWHAOESA-N
HMDB52065,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,37,39,62H,4-16,18-19,22-23,27,30-36,38,40-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,39-37-/t62-/m1/s1",JBBKPAVFIIHLOR,OJLRBOAVSA,N,TG(24:1(15Z)/18:1(11Z)/20:3n6),JBBKPAVFIIHLOR-OJLRBOAVSA-N
HMDB52066,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,37,39,45,48,62H,4-16,18-19,22-23,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,39-37-,48-45-/t62-/m1/s1",HXXCFBZGJCYFGD,IGLAONSXSA,N,"TG(24:1(15Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",HXXCFBZGJCYFGD-IGLAONSXSA-N
HMDB52067,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,64H,4-16,18-19,22-23,27,30-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-/t64-/m1/s1",VEGIRAZVDNFEGX,WXCWMQHJSA,N,"TG(24:1(15Z)/18:1(11Z)/22:2(13Z,16Z))",VEGIRAZVDNFEGX-WXCWMQHJSA-N
HMDB52068,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,36,41,44,64H,4-16,18-19,22-23,27,30-33,35,37-40,42-43,45-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-34-,44-41-/t64-/m1/s1",JQAUDEZVJSETJS,DEZIAGSWSA,N,"TG(24:1(15Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",JQAUDEZVJSETJS-DEZIAGSWSA-N
HMDB52069,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,36,41,44,50,53,64H,4-16,18-19,22-23,27,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-34-,44-41-,53-50-/t64-/m1/s1",HNWLNGBLTSRYBO,JMNVIJGVSA,N,"TG(24:1(15Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HNWLNGBLTSRYBO-JMNVIJGVSA-N
HMDB52070,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,34,60H,4-7,9-10,12-16,18-19,22-23,27,29-33,35-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,34-26-/t60-/m1/s1",RUSCMJMSQIOWQE,JVPAGSFPSA,N,"TG(24:1(15Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",RUSCMJMSQIOWQE-JVPAGSFPSA-N
HMDB52071,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,34,40,43,60H,4-7,9-10,12-16,18-19,22-23,27,29-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,34-26-,43-40-/t60-/m1/s1",WPTDLSWTVUJAOX,YHDAGPPLSA,N,"TG(24:1(15Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",WPTDLSWTVUJAOX-YHDAGPPLSA-N
HMDB52072,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,37,39,62H,4-7,9-10,12-16,18-19,22-23,27,30-36,38,40-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,39-37-/t62-/m1/s1",RNELVYMDRRGVJA,GRVMKHIHSA,N,"TG(24:1(15Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",RNELVYMDRRGVJA-GRVMKHIHSA-N
HMDB52073,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,37,39,45,48,62H,4-7,9-10,12-16,18-19,22-23,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,39-37-,48-45-/t62-/m1/s1",FOXFNNYMYVHCPP,WYYAZFRBSA,N,"TG(24:1(15Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FOXFNNYMYVHCPP-WYYAZFRBSA-N
HMDB52074,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,36,41,44,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35,37-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,44-41-/t64-/m1/s1",KXLYJBGLQXHUIF,BLICUONUSA,N,"TG(24:1(15Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KXLYJBGLQXHUIF-BLICUONUSA-N
HMDB52075,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,36,41,44,50,53,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,44-41-,53-50-/t64-/m1/s1",LMYNGRHTBACCEC,CJEYJWKBSA,N,"TG(24:1(15Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LMYNGRHTBACCEC-CJEYJWKBSA-N
HMDB52076,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h21,24-25,28,61H,4-20,22-23,26-27,29-60H2,1-3H3/b24-21-,28-25-/t61-/m1/s1",MVFBCZDAWPPNMN,CNKHIDIQSA,N,TG(24:1(15Z)/18:1(11Z)/o-18:0),MVFBCZDAWPPNMN-CNKHIDIQSA-N
HMDB52077,1052.971091828,C69H128O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-29,40,66H,4-24,30-39,41-65H2,1-3H3/b28-25-,29-26-,40-27-",SZCDTJGWVCEHOR,NPHCBNCUSA,N,TG(24:1(15Z)/18:1(9Z)/24:1(15Z)),SZCDTJGWVCEHOR-NPHCBNCUSA-N
HMDB52078,966.861541391,C63H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,25-28,34-35,60H,4-16,18-19,21-24,29-33,36-59H2,1-3H3/b20-17-,28-25-,34-26-,35-27-/t60-/m1/s1",NFYLWGALGFJXKV,VUCGYDTISA,N,"TG(24:1(15Z)/18:1(9Z)/18:2(9Z,12Z))",NFYLWGALGFJXKV-VUCGYDTISA-N
HMDB52079,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,25-28,34-35,40,43,60H,4-16,18-19,21-24,29-33,36-39,41-42,44-59H2,1-3H3/b20-17-,28-25-,34-26-,35-27-,43-40-/t60-/m1/s1",WKTQVQIRLRPGDR,AIYLCWKHSA,N,"TG(24:1(15Z)/18:1(9Z)/18:3(6Z,9Z,12Z))",WKTQVQIRLRPGDR-AIYLCWKHSA-N
HMDB52080,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,36,62H,4-16,18-19,21-24,30-35,37-61H2,1-3H3/b20-17-,28-25-,29-26-,36-27-/t62-/m1/s1",ZWAJNVXCIDAFJO,UWHAJBLISA,N,TG(24:1(15Z)/18:1(9Z)/20:2n6),ZWAJNVXCIDAFJO-UWHAJBLISA-N
HMDB52081,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,36-37,39,62H,4-16,18-19,21-24,30-35,38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,36-27-,39-37-/t62-/m1/s1",KOYSCHJUDJOXHW,PWNBPTNQSA,N,TG(24:1(15Z)/18:1(9Z)/20:3n6),KOYSCHJUDJOXHW-PWNBPTNQSA-N
HMDB52082,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,36-37,39,45,48,62H,4-16,18-19,21-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",RLPAAFLJSKQQGQ,WICUKRPBSA,N,"TG(24:1(15Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",RLPAAFLJSKQQGQ-WICUKRPBSA-N
HMDB52083,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,38,64H,4-16,18-19,21-24,30-37,39-63H2,1-3H3/b20-17-,28-25-,29-26-,38-27-/t64-/m1/s1",LADAKYPTWKLGFN,FLLNAKOTSA,N,"TG(24:1(15Z)/18:1(9Z)/22:2(13Z,16Z))",LADAKYPTWKLGFN-FLLNAKOTSA-N
HMDB52084,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,36,38,41,44,64H,4-16,18-19,21-24,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,38-27-,44-41-/t64-/m1/s1",FPZCXJDOKQPPLX,NTZAOUKDSA,N,"TG(24:1(15Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",FPZCXJDOKQPPLX-NTZAOUKDSA-N
HMDB52085,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,36,38,41,44,50,53,64H,4-16,18-19,21-24,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,38-27-,44-41-,53-50-/t64-/m1/s1",QVMLSCAQDGMWKI,ZVECMOEVSA,N,"TG(24:1(15Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QVMLSCAQDGMWKI-ZVECMOEVSA-N
HMDB52086,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34-35,60H,4-7,9-10,12-16,18-19,21-24,29-33,36-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-,35-27-/t60-/m1/s1",CGQLVCFUDCESMV,ONVKFWOQSA,N,"TG(24:1(15Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",CGQLVCFUDCESMV-ONVKFWOQSA-N
HMDB52087,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34-35,40,43,60H,4-7,9-10,12-16,18-19,21-24,29-33,36-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-,35-27-,43-40-/t60-/m1/s1",XPNUDVKOGAAXPS,IASDWQFSSA,N,"TG(24:1(15Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",XPNUDVKOGAAXPS-IASDWQFSSA-N
HMDB52088,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,36-37,39,62H,4-7,9-10,12-16,18-19,21-24,30-35,38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-27-,39-37-/t62-/m1/s1",AITIPIROJXLOJC,XEIXSCFXSA,N,"TG(24:1(15Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",AITIPIROJXLOJC-XEIXSCFXSA-N
HMDB52089,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,36-37,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",JEJJRGOEPNAWCQ,RBYVYBOBSA,N,"TG(24:1(15Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JEJJRGOEPNAWCQ-RBYVYBOBSA-N
HMDB52090,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34,36,38,41,44,64H,4-7,9-10,12-16,18-19,21-24,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,38-27-,44-41-/t64-/m1/s1",NFAHQVJIFXBNOM,VERRSRHYSA,N,"TG(24:1(15Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NFAHQVJIFXBNOM-VERRSRHYSA-N
HMDB52091,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34,36,38,41,44,50,53,64H,4-7,9-10,12-16,18-19,21-24,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,38-27-,44-41-,53-50-/t64-/m1/s1",JFZZKVCFBRJHLU,QCAZIYBESA,N,"TG(24:1(15Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JFZZKVCFBRJHLU-QCAZIYBESA-N
HMDB52092,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h25,27-28,35,61H,4-24,26,29-34,36-60H2,1-3H3/b28-25-,35-27-/t61-/m1/s1",RVMQNMKFUZZTPY,FFSMKODBSA,N,TG(24:1(15Z)/18:1(9Z)/o-18:0),RVMQNMKFUZZTPY-FFSMKODBSA-N
HMDB52093,1081.002391956,C71H132O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,68H,4-24,31-67H2,1-3H3/b28-25-,29-26-,30-27-",HJRCDXXXUDBZHZ,IUPFWZBJSA,N,TG(24:1(15Z)/20:1(11Z)/24:1(15Z)),HJRCDXXXUDBZHZ-IUPFWZBJSA-N
HMDB52094,994.89284152,C65H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,62H,4-17,19-20,22-24,30-35,37-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",IJCCXELEENTUCX,WQNRFPPVSA,N,"TG(24:1(15Z)/20:1(11Z)/18:2(9Z,12Z))",IJCCXELEENTUCX-WQNRFPPVSA-N
HMDB52095,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,42,45,62H,4-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",WYEDDMZFVHDXCU,PCQNZSPSSA,N,"TG(24:1(15Z)/20:1(11Z)/18:3(6Z,9Z,12Z))",WYEDDMZFVHDXCU-PCQNZSPSSA-N
HMDB52096,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,64H,4-16,18-19,21-24,31-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-/t64-/m1/s1",KCUISIOETXDSAB,QJNZKAFXSA,N,TG(24:1(15Z)/20:1(11Z)/20:2n6),KCUISIOETXDSAB-QJNZKAFXSA-N
HMDB52097,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,38,41,64H,4-16,18-19,21-24,31-37,39-40,42-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",BOYBDIPYINZUMM,SETOIFJYSA,N,TG(24:1(15Z)/20:1(11Z)/20:3n6),BOYBDIPYINZUMM-SETOIFJYSA-N
HMDB52098,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,38,41,47,50,64H,4-16,18-19,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",HGNDNRVKGDIFSS,BMSZVULOSA,N,"TG(24:1(15Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",HGNDNRVKGDIFSS-BMSZVULOSA-N
HMDB52099,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,66H,4-16,18-19,21-24,31-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-/t66-/m1/s1",VQAXCZNSIVREEO,OOKXSSLFSA,N,"TG(24:1(15Z)/20:1(11Z)/22:2(13Z,16Z))",VQAXCZNSIVREEO-OOKXSSLFSA-N
HMDB52100,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,43,46,66H,4-16,18-19,21-24,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,46-43-/t66-/m1/s1",VGESGJPZRWQXRA,ODEAQLLGSA,N,"TG(24:1(15Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",VGESGJPZRWQXRA-ODEAQLLGSA-N
HMDB52101,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,43,46,52,55,66H,4-16,18-19,21-24,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,46-43-,55-52-/t66-/m1/s1",WKHBDUDWLDNAAV,UJOWSXMNSA,N,"TG(24:1(15Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WKHBDUDWLDNAAV-UJOWSXMNSA-N
HMDB52102,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",PSSUFWRQAHUSAU,GWSCBAOTSA,N,"TG(24:1(15Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",PSSUFWRQAHUSAU-GWSCBAOTSA-N
HMDB52103,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",VAAUANFGCVJGSQ,ZMVCFNQWSA,N,"TG(24:1(15Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",VAAUANFGCVJGSQ-ZMVCFNQWSA-N
HMDB52104,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,38,41,64H,4-7,9-10,12-16,18-19,21-24,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",KNZGFXCCSLXXJL,VYYMHTCZSA,N,"TG(24:1(15Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",KNZGFXCCSLXXJL-VYYMHTCZSA-N
HMDB52105,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",FFWVTQQACGJWEI,WYJRPZJQSA,N,"TG(24:1(15Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FFWVTQQACGJWEI-WYJRPZJQSA-N
HMDB52106,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,43,46,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,46-43-/t66-/m1/s1",GKJBALOWUSUCJU,PVSZIZOCSA,N,"TG(24:1(15Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GKJBALOWUSUCJU-PVSZIZOCSA-N
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HMDB52108,984.944877093,C65H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,63H,4-24,27,30-62H2,1-3H3/b28-25-,29-26-/t63-/m1/s1",XZJLFACHTPPDHY,WTIKSZMJSA,N,TG(24:1(15Z)/20:1(11Z)/o-18:0),XZJLFACHTPPDHY-WTIKSZMJSA-N
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HMDB52117,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-16,18-19,21-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",JDSVLHGPVGZCNR,OIVUVTJESA,N,"TG(24:1(15Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JDSVLHGPVGZCNR-OIVUVTJESA-N
HMDB52118,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",LQUVRZCWEMJPPH,XRXGFDPUSA,N,"TG(24:1(15Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",LQUVRZCWEMJPPH-XRXGFDPUSA-N
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HMDB52123,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",PPRZCQNYSGIJDY,MDNGHFMVSA,N,"TG(24:1(15Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PPRZCQNYSGIJDY-MDNGHFMVSA-N
HMDB52124,980.913576964,C65H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,38,41,47,50,63H,4-24,27,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b28-25-,29-26-,41-38-,50-47-/t63-/m1/s1",HUSCHHSFSNFUTF,WQQOFHBDSA,N,"TG(24:1(15Z)/20:3(5Z,8Z,11Z)/o-18:0)",HUSCHHSFSNFUTF-WQQOFHBDSA-N
HMDB52125,1109.033692084,C73H136O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,70H,4-24,31-69H2,1-3H3/b28-25-,29-26-,30-27-",GKPJXXSEGRXSFN,IUPFWZBJSA,N,TG(24:1(15Z)/22:1(13Z)/24:1(15Z)),GKPJXXSEGRXSFN-IUPFWZBJSA-N
HMDB52126,1022.924141648,C67H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,38,64H,4-17,19-20,22-24,30-37,39-63H2,1-3H3/b21-18-,28-25-,29-26-,38-27-/t64-/m1/s1",TZBNJHWPJTVCEY,MLCGYBJYSA,N,"TG(24:1(15Z)/22:1(13Z)/18:2(9Z,12Z))",TZBNJHWPJTVCEY-MLCGYBJYSA-N
HMDB52127,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,38,44,47,64H,4-17,19-20,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b21-18-,28-25-,29-26-,38-27-,47-44-/t64-/m1/s1",ANPJTDTYLHSEAZ,HGJAMXGCSA,N,"TG(24:1(15Z)/22:1(13Z)/18:3(6Z,9Z,12Z))",ANPJTDTYLHSEAZ-HGJAMXGCSA-N
HMDB52128,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,66H,4-17,19-20,22-24,31-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-/t66-/m1/s1",UJIKGANNVSOKDW,XILXBQAESA,N,TG(24:1(15Z)/22:1(13Z)/20:2n6),UJIKGANNVSOKDW-XILXBQAESA-N
HMDB52129,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,66H,4-17,19-20,22-24,31-39,41-42,44-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-/t66-/m1/s1",VJBSZZMTIPLTEN,BEXZOFNUSA,N,TG(24:1(15Z)/22:1(13Z)/20:3n6),VJBSZZMTIPLTEN-BEXZOFNUSA-N
HMDB52130,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,49,52,66H,4-17,19-20,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",MZZSTNXYRLVOJT,SLRDYTRJSA,N,"TG(24:1(15Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",MZZSTNXYRLVOJT-SLRDYTRJSA-N
HMDB52131,1078.986741906,C71H130O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,68H,4-16,18-19,21-24,31-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-/t68-/m1/s1",UYHTUYHLTSLIIF,RLRICTHSSA,N,"TG(24:1(15Z)/22:1(13Z)/22:2(13Z,16Z))",UYHTUYHLTSLIIF-RLRICTHSSA-N
HMDB52132,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,39,45,48,68H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",FKZJRIHSXQHDRP,LXXRPXJHSA,N,"TG(24:1(15Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",FKZJRIHSXQHDRP-LXXRPXJHSA-N
HMDB52133,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,39,45,48,54,57,68H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",HREUBCVXCKLERS,ASIZRCLZSA,N,"TG(24:1(15Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HREUBCVXCKLERS-ASIZRCLZSA-N
HMDB52134,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-/t64-/m1/s1",MMZUXOKXBLZMTA,HWEUYZRJSA,N,"TG(24:1(15Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",MMZUXOKXBLZMTA-HWEUYZRJSA-N
HMDB52135,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,44,47,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-,47-44-/t64-/m1/s1",LWTGDSWWNOLXKU,NPAIRWJUSA,N,"TG(24:1(15Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",LWTGDSWWNOLXKU-NPAIRWJUSA-N
HMDB52136,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,66H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-/t66-/m1/s1",LLYWGZNAPVKSOY,BLLJXCCUSA,N,"TG(24:1(15Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",LLYWGZNAPVKSOY-BLLJXCCUSA-N
HMDB52137,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",XKWBVQFPQCPOLA,KEWASIEZSA,N,"TG(24:1(15Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XKWBVQFPQCPOLA-KEWASIEZSA-N
HMDB52138,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",JLKJPOYKFOMARQ,ROBGRCIMSA,N,"TG(24:1(15Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JLKJPOYKFOMARQ-ROBGRCIMSA-N
HMDB52139,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",AVBCEYZTPYUGAM,KMTGEPQNSA,N,"TG(24:1(15Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AVBCEYZTPYUGAM-KMTGEPQNSA-N
HMDB52140,1012.976177222,C67H128O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,65H,4-24,27,30-64H2,1-3H3/b28-25-,29-26-/t65-/m1/s1",BVLQAZFLDQUDOF,IVANLCEYSA,N,TG(24:1(15Z)/22:1(13Z)/o-18:0),BVLQAZFLDQUDOF-IVANLCEYSA-N
HMDB52141,1137.064992212,C75H140O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C75H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,72H,4-24,31-71H2,1-3H3/b28-25-,29-26-,30-27-",KOBUHTMAMVEYSR,IUPFWZBJSA,N,TG(24:1(15Z)/24:1(15Z)/24:1(15Z)),KOBUHTMAMVEYSR-IUPFWZBJSA-N
HMDB52142,1050.955441777,C69H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,40,66H,4-17,19-20,22-24,30-39,41-65H2,1-3H3/b21-18-,28-25-,29-26-,40-27-/t66-/m1/s1",FVAXRVLPHSQCES,GPPBLFJRSA,N,"TG(24:1(15Z)/24:1(15Z)/18:2(9Z,12Z))",FVAXRVLPHSQCES-GPPBLFJRSA-N
HMDB52143,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,40,46,49,66H,4-17,19-20,22-24,30-39,41-45,47-48,50-65H2,1-3H3/b21-18-,28-25-,29-26-,40-27-,49-46-/t66-/m1/s1",PTQUKRHBBNRIKP,BQNCEQPLSA,N,"TG(24:1(15Z)/24:1(15Z)/18:3(6Z,9Z,12Z))",PTQUKRHBBNRIKP-BQNCEQPLSA-N
HMDB52144,1078.986741906,C71H130O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,68H,4-17,19-20,22-24,31-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-/t68-/m1/s1",NXZBPEQAKMCEPI,SBGARULYSA,N,TG(24:1(15Z)/24:1(15Z)/20:2n6),NXZBPEQAKMCEPI-SBGARULYSA-N
HMDB52145,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,42,45,68H,4-17,19-20,22-24,31-41,43-44,46-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,45-42-/t68-/m1/s1",QGFSQWOBATVGOI,DDTPTWBPSA,N,TG(24:1(15Z)/24:1(15Z)/20:3n6),QGFSQWOBATVGOI-DDTPTWBPSA-N
HMDB52146,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,42,45,51,54,68H,4-17,19-20,22-24,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,45-42-,54-51-/t68-/m1/s1",GMBOTAFQVKLCLY,QHCVHDJDSA,N,"TG(24:1(15Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",GMBOTAFQVKLCLY-QHCVHDJDSA-N
HMDB52147,1107.018042035,C73H134O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,70H,4-17,19-20,22-24,31-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-/t70-/m1/s1",RIHBZYMTZVLNFA,QUXDSLHVSA,N,"TG(24:1(15Z)/24:1(15Z)/22:2(13Z,16Z))",RIHBZYMTZVLNFA-QUXDSLHVSA-N
HMDB52148,1102.986741906,C73H130O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,41,47,50,70H,4-17,19-20,22-24,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t70-/m1/s1",CCSKWYFTNRPBJW,LBMJGKDXSA,N,"TG(24:1(15Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",CCSKWYFTNRPBJW-LBMJGKDXSA-N
HMDB52149,1100.971091842,C73H128O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,41,47,50,56,59,70H,4-17,19-20,22-24,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-,50-47-,59-56-/t70-/m1/s1",QPJOAYRKRJTRBL,APFYMTIASA,N,"TG(24:1(15Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QPJOAYRKRJTRBL-APFYMTIASA-N
HMDB52150,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,40,66H,4-8,10-11,13-17,19-20,22-24,30-39,41-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,40-27-/t66-/m1/s1",WQYVLJHVOMCVFB,OPQWUDQASA,N,"TG(24:1(15Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",WQYVLJHVOMCVFB-OPQWUDQASA-N
HMDB52151,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,40,46,49,66H,4-8,10-11,13-17,19-20,22-24,30-39,41-45,47-48,50-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,40-27-,49-46-/t66-/m1/s1",BENVGYVNGBRHBP,RKCVASTISA,N,"TG(24:1(15Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",BENVGYVNGBRHBP-RKCVASTISA-N
HMDB52152,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,42,45,68H,4-8,10-11,13-17,19-20,22-24,31-41,43-44,46-67H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,45-42-/t68-/m1/s1",WPWAFQRRCBEVSI,JNJGJHCXSA,N,"TG(24:1(15Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",WPWAFQRRCBEVSI-JNJGJHCXSA-N
HMDB52153,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,42,45,51,54,68H,4-8,10-11,13-17,19-20,22-24,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,45-42-,54-51-/t68-/m1/s1",BSYGRJAQXXYBEN,KCZALQTMSA,N,"TG(24:1(15Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BSYGRJAQXXYBEN-KCZALQTMSA-N
HMDB52154,1100.971091842,C73H128O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,41,47,50,70H,4-8,10-11,13-17,19-20,22-24,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t70-/m1/s1",WUHPNKPRIJOXNU,ZOGORHLRSA,N,"TG(24:1(15Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WUHPNKPRIJOXNU-ZOGORHLRSA-N
HMDB52155,1098.955441777,C73H126O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C73H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,41,47,50,56,59,70H,4-8,10-11,13-17,19-20,22-24,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-,59-56-/t70-/m1/s1",MPIUXCUWCQONEC,BMCNDZFWSA,N,"TG(24:1(15Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MPIUXCUWCQONEC-BMCNDZFWSA-N
HMDB52156,1041.00747735,C69H132O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-66-67(65-72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,67H,4-24,27,30-66H2,1-3H3/b28-25-,29-26-/t67-/m1/s1",DODDAJLFNOQDPF,METBABIRSA,N,TG(24:1(15Z)/24:1(15Z)/o-18:0),DODDAJLFNOQDPF-METBABIRSA-N
HMDB52157,1050.955441777,C69H126O6,[H]C(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,40,66H,4-17,19-20,22-24,30-39,41-65H2,1-3H3/b21-18-,28-25-,29-26-,40-27-",RXICPAMTIRTMAF,GRVGFUKCSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/24:1(15Z))",RXICPAMTIRTMAF-GRVGFUKCSA-N
HMDB52158,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,34-35,60H,4-16,19,22-24,29-33,36-59H2,1-3H3/b20-17-,21-18-,28-25-,34-26-,35-27-/t60-/m1/s1",LEISCWOXEYMOAG,YAZYAHKFSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",LEISCWOXEYMOAG-YAZYAHKFSA-N
HMDB52159,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,34-35,40,43,60H,4-16,19,22-24,29-33,36-39,41-42,44-59H2,1-3H3/b20-17-,21-18-,28-25-,34-26-,35-27-,43-40-/t60-/m1/s1",DVVXILVDNWEYLR,ORGOULGJSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",DVVXILVDNWEYLR-ORGOULGJSA-N
HMDB52160,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,62H,4-16,19,22-24,30-35,37-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",XDOSCISCTJFLHH,KWXDCQEHSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/20:2n6)",XDOSCISCTJFLHH-KWXDCQEHSA-N
HMDB52161,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36-37,39,62H,4-16,19,22-24,30-35,38,40-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,39-37-/t62-/m1/s1",ZOXNOWBCVUVWOQ,FCMHMGODSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/20:3n6)",ZOXNOWBCVUVWOQ-FCMHMGODSA-N
HMDB52162,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36-37,39,45,48,62H,4-16,19,22-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",RSVACVISKWCUKR,FXBCCKSQSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",RSVACVISKWCUKR-FXBCCKSQSA-N
HMDB52163,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,38,64H,4-16,19,22-24,30-37,39-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,38-27-/t64-/m1/s1",BZLQTPODYMJVMF,XOSIKHKMSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/22:2(13Z,16Z))",BZLQTPODYMJVMF-XOSIKHKMSA-N
HMDB52164,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,41,44,64H,4-16,19,22-24,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-/t64-/m1/s1",BYUMVFHYZFHLBF,IFQIXLKCSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",BYUMVFHYZFHLBF-IFQIXLKCSA-N
HMDB52165,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,41,44,50,53,64H,4-16,19,22-24,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,53-50-/t64-/m1/s1",SHZBVKWEKMBTFS,SRXJTSPWSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SHZBVKWEKMBTFS-SRXJTSPWSA-N
HMDB52166,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,34-35,60H,4-7,9-10,12-16,19,22-24,29-33,36-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-/t60-/m1/s1",HMLHWNHLFKBMRY,ZGCCQQRHSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",HMLHWNHLFKBMRY-ZGCCQQRHSA-N
HMDB52167,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,34-35,40,43,60H,4-7,9-10,12-16,19,22-24,29-33,36-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-/t60-/m1/s1",VXGMQUJOPOSYMN,VFDICLCBSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",VXGMQUJOPOSYMN-VFDICLCBSA-N
HMDB52168,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36-37,39,62H,4-7,9-10,12-16,19,22-24,30-35,38,40-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-/t62-/m1/s1",YCMRFTXDLKRHLO,UOFRIAANSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",YCMRFTXDLKRHLO-UOFRIAANSA-N
HMDB52169,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36-37,39,45,48,62H,4-7,9-10,12-16,19,22-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",XGEKPOBEUNTQBW,RWLQTTFYSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XGEKPOBEUNTQBW-RWLQTTFYSA-N
HMDB52170,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,38,41,44,64H,4-7,9-10,12-16,19,22-24,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-/t64-/m1/s1",QTCWYTDPRMXKMR,ZZAYUKQFSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QTCWYTDPRMXKMR-ZZAYUKQFSA-N
HMDB52171,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,38,41,44,50,53,64H,4-7,9-10,12-16,19,22-24,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,53-50-/t64-/m1/s1",VFSASFDKKPCACM,TWZXCRRRSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VFSASFDKKPCACM-TWZXCRRRSA-N
HMDB52172,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,35,61H,4-17,19-20,22-24,26,29-34,36-60H2,1-3H3/b21-18-,28-25-,35-27-/t61-/m1/s1",GCHDZYLUKSEHHL,NEPMHRMMSA,N,"TG(24:1(15Z)/18:2(9Z,12Z)/o-18:0)",GCHDZYLUKSEHHL-NEPMHRMMSA-N
HMDB52173,1048.9397917,C69H124O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,40,48,51,66H,4-17,19-20,22-24,30-39,41-47,49-50,52-65H2,1-3H3/b21-18-,28-25-,29-26-,40-27-,51-48-",WHFOIMYTRVAUNO,HUPFONLESA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/24:1(15Z))",WHFOIMYTRVAUNO-HUPFONLESA-N
HMDB52174,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,34-35,42,45,60H,4-16,19,22-24,29-33,36-41,43-44,46-59H2,1-3H3/b20-17-,21-18-,28-25-,34-26-,35-27-,45-42-/t60-/m1/s1",APLABQCESRGFRN,LQUJYBKRSA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",APLABQCESRGFRN-LQUJYBKRSA-N
HMDB52175,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,34-35,40,42-43,45,60H,4-16,19,22-24,29-33,36-39,41,44,46-59H2,1-3H3/b20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,45-42-/t60-/m1/s1",PBRHCNHJVQKMEH,XPKCAFDMSA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",PBRHCNHJVQKMEH-XPKCAFDMSA-N
HMDB52176,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,44,47,62H,4-16,19,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,47-44-/t62-/m1/s1",BVMGCRAAGDGZHH,CIVXUDABSA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:2n6)",BVMGCRAAGDGZHH-CIVXUDABSA-N
HMDB52177,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36-37,39,44,47,62H,4-16,19,22-24,30-35,38,40-43,45-46,48-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-/t62-/m1/s1",FHSCOERINGGQKG,FLKDEKIISA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:3n6)",FHSCOERINGGQKG-FLKDEKIISA-N
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HMDB52179,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,38,46,49,64H,4-16,19,22-24,30-37,39-45,47-48,50-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,38-27-,49-46-/t64-/m1/s1",HXRAMQZTBIENCR,VFJFUJPXSA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",HXRAMQZTBIENCR-VFJFUJPXSA-N
HMDB52180,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,41,44,46,49,64H,4-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-/t64-/m1/s1",ZAHMXCAUIPSXJN,LSSUYPAOSA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",ZAHMXCAUIPSXJN-LSSUYPAOSA-N
HMDB52181,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,41,44,46,49-50,53,64H,4-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-/t64-/m1/s1",AZZRKLUKEAQZHY,PNPAMHBPSA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AZZRKLUKEAQZHY-PNPAMHBPSA-N
HMDB52182,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,34-35,42,45,60H,4-7,9-10,12-16,19,22-24,29-33,36-41,43-44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,45-42-/t60-/m1/s1",ZFXLTLUEECMYQD,SRYBKXHESA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",ZFXLTLUEECMYQD-SRYBKXHESA-N
HMDB52183,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,34-35,40,42-43,45,60H,4-7,9-10,12-16,19,22-24,29-33,36-39,41,44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,45-42-/t60-/m1/s1",WVWWFHQLYDZJNM,VGIPEQTASA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",WVWWFHQLYDZJNM-VGIPEQTASA-N
HMDB52184,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36-37,39,44,47,62H,4-7,9-10,12-16,19,22-24,30-35,38,40-43,45-46,48-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-/t62-/m1/s1",LBPFOKJVJSRDSU,RAEUTKDGSA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",LBPFOKJVJSRDSU-RAEUTKDGSA-N
HMDB52185,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36-37,39,44-45,47-48,62H,4-7,9-10,12-16,19,22-24,30-35,38,40-43,46,49-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-,48-45-/t62-/m1/s1",HSNWASAVIFCZFY,YLOWPBFZSA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HSNWASAVIFCZFY-YLOWPBFZSA-N
HMDB52186,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,38,41,44,46,49,64H,4-7,9-10,12-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-/t64-/m1/s1",IBAMYRVWQQOOTO,ICTIUWLNSA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IBAMYRVWQQOOTO-ICTIUWLNSA-N
HMDB52187,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,38,41,44,46,49-50,53,64H,4-7,9-10,12-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-/t64-/m1/s1",JZRTXUWDFLMQRP,PPRMHAIXSA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JZRTXUWDFLMQRP-PPRMHAIXSA-N
HMDB52188,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,35,42,45,61H,4-17,19-20,22-24,26,29-34,36-41,43-44,46-60H2,1-3H3/b21-18-,28-25-,35-27-,45-42-/t61-/m1/s1",FIXNXVIJNBXNSK,BXCHJCNZSA,N,"TG(24:1(15Z)/18:3(6Z,9Z,12Z)/o-18:0)",FIXNXVIJNBXNSK-BXCHJCNZSA-N
HMDB52189,1078.986741906,C71H130O6,[H]C(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,68H,4-17,19-20,22-24,31-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-",PENFTGGDZQPIRP,FVCHKXIASA,N,TG(24:1(15Z)/20:2n6/24:1(15Z)),PENFTGGDZQPIRP-FVCHKXIASA-N
HMDB52190,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,62H,4-16,19,22-24,30-35,37-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",RNZAWHNLNOAOKS,KWXDCQEHSA,N,"TG(24:1(15Z)/20:2n6/18:2(9Z,12Z))",RNZAWHNLNOAOKS-KWXDCQEHSA-N
HMDB52191,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,42,45,62H,4-16,19,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",MRFHXSSDOLSQQA,BCMJGZEGSA,N,"TG(24:1(15Z)/20:2n6/18:3(6Z,9Z,12Z))",MRFHXSSDOLSQQA-BCMJGZEGSA-N
HMDB52192,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,64H,4-16,19,22-24,31-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-/t64-/m1/s1",SPMGGPNBBVETHL,LCZBZASQSA,N,TG(24:1(15Z)/20:2n6/20:2n6),SPMGGPNBBVETHL-LCZBZASQSA-N
HMDB52193,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,41,64H,4-16,19,22-24,31-37,39-40,42-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",IEHOKQJRMYEECN,CEQWREPVSA,N,TG(24:1(15Z)/20:2n6/20:3n6),IEHOKQJRMYEECN-CEQWREPVSA-N
HMDB52194,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,41,47,50,64H,4-16,19,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",SKKYSJYPWGYAHB,HIEAVTQESA,N,"TG(24:1(15Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))",SKKYSJYPWGYAHB-HIEAVTQESA-N
HMDB52195,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,66H,4-16,19,22-24,31-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-/t66-/m1/s1",IPLDZPPIIFZXCV,VYBCTTLOSA,N,"TG(24:1(15Z)/20:2n6/22:2(13Z,16Z))",IPLDZPPIIFZXCV-VYBCTTLOSA-N
HMDB52196,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,43,46,66H,4-16,19,22-24,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,46-43-/t66-/m1/s1",BLEYATQGBMOXDU,RWTWSYFISA,N,"TG(24:1(15Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))",BLEYATQGBMOXDU-RWTWSYFISA-N
HMDB52197,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,43,46,52,55,66H,4-16,19,22-24,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,46-43-,55-52-/t66-/m1/s1",FETZIYJYFWNIRP,CDQUFUSXSA,N,"TG(24:1(15Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",FETZIYJYFWNIRP-CDQUFUSXSA-N
HMDB52198,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,62H,4-8,10-11,13-16,19,22-24,30-35,37-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",BXEWEAHVUAWAPO,KYHFIOHMSA,N,"TG(24:1(15Z)/20:2n6/18:3(9Z,12Z,15Z))",BXEWEAHVUAWAPO-KYHFIOHMSA-N
HMDB52199,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,42,45,62H,4-8,10-11,13-16,19,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",LSYLIPSWQBOQHW,ISKODLPBSA,N,"TG(24:1(15Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))",LSYLIPSWQBOQHW-ISKODLPBSA-N
HMDB52200,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,38,41,64H,4-7,9-10,12-16,19,22-24,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",BULPAEGDJHHUCO,RPAGWGPDSA,N,"TG(24:1(15Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))",BULPAEGDJHHUCO-RPAGWGPDSA-N
HMDB52201,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,38,41,47,50,64H,4-7,9-10,12-16,19,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",AXAXCZZXWXKSIX,MDINPHAHSA,N,"TG(24:1(15Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",AXAXCZZXWXKSIX-MDINPHAHSA-N
HMDB52202,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,43,46,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,46-43-/t66-/m1/s1",BXBIVNSDQDNVDG,JSGIVTQKSA,N,"TG(24:1(15Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",BXBIVNSDQDNVDG-JSGIVTQKSA-N
HMDB52203,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,43,46,52,55,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,46-43-,55-52-/t66-/m1/s1",FYCKQKXLBFYVGD,VGSLSSGGSA,N,"TG(24:1(15Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FYCKQKXLBFYVGD-VGSLSSGGSA-N
HMDB52204,982.929227028,C65H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,63H,4-16,18-19,21-24,27,30-62H2,1-3H3/b20-17-,28-25-,29-26-/t63-/m1/s1",JCYADLUAFBUNSC,DIZOGMMSSA,N,TG(24:1(15Z)/20:2n6/o-18:0),JCYADLUAFBUNSC-DIZOGMMSSA-N
HMDB52205,1076.971091828,C71H128O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,44,47,68H,4-17,19-20,22-24,31-43,45-46,48-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,47-44-",RXAVSLVLSNEBOO,JLMRWRGNSA,N,TG(24:1(15Z)/20:3n6/24:1(15Z)),RXAVSLVLSNEBOO-JLMRWRGNSA-N
HMDB52206,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,38,41,62H,4-16,19,22-24,30-35,37,39-40,42-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,41-38-/t62-/m1/s1",FHKCGSAJDQYFSP,BHRFHAKQSA,N,"TG(24:1(15Z)/20:3n6/18:2(9Z,12Z))",FHKCGSAJDQYFSP-BHRFHAKQSA-N
HMDB52207,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,38,41-42,45,62H,4-16,19,22-24,30-35,37,39-40,43-44,46-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-/t62-/m1/s1",DDGQYSFRQAKXRA,QCWHGRBUSA,N,"TG(24:1(15Z)/20:3n6/18:3(6Z,9Z,12Z))",DDGQYSFRQAKXRA-QCWHGRBUSA-N
HMDB52208,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,40,43,64H,4-16,19,22-24,31-39,41-42,44-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,43-40-/t64-/m1/s1",KTGAMJWZXCCVHE,CLMIYDBLSA,N,TG(24:1(15Z)/20:3n6/20:2n6),KTGAMJWZXCCVHE-CLMIYDBLSA-N
HMDB52209,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,40-41,43,64H,4-16,19,22-24,31-37,39,42,44-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-/t64-/m1/s1",OEQSFVYMRBYGIC,HJLZJEBMSA,N,TG(24:1(15Z)/20:3n6/20:3n6),OEQSFVYMRBYGIC-HJLZJEBMSA-N
HMDB52210,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,40-41,43,47,50,64H,4-16,19,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-/t64-/m1/s1",UZYFVMFGUIMXNT,DDJYCIGXSA,N,"TG(24:1(15Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))",UZYFVMFGUIMXNT-DDJYCIGXSA-N
HMDB52211,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,42,45,66H,4-16,19,22-24,31-41,43-44,46-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,45-42-/t66-/m1/s1",ACMWFFAEUVQODP,PGLMRKETSA,N,"TG(24:1(15Z)/20:3n6/22:2(13Z,16Z))",ACMWFFAEUVQODP-PGLMRKETSA-N
HMDB52212,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,42-43,45-46,66H,4-16,19,22-24,31-34,36-37,39-41,44,47-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-/t66-/m1/s1",ANWQBDVUQVMHIL,ATDUVQIHSA,N,"TG(24:1(15Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))",ANWQBDVUQVMHIL-ATDUVQIHSA-N
HMDB52213,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,42-43,45-46,52,55,66H,4-16,19,22-24,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-/t66-/m1/s1",BGCFFDAHTXUGAJ,NCUPDLNSSA,N,"TG(24:1(15Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",BGCFFDAHTXUGAJ-NCUPDLNSSA-N
HMDB52214,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,38,41,62H,4-8,10-11,13-16,19,22-24,30-35,37,39-40,42-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-/t62-/m1/s1",DOVRVQGMYHANRV,ARXXSGKISA,N,"TG(24:1(15Z)/20:3n6/18:3(9Z,12Z,15Z))",DOVRVQGMYHANRV-ARXXSGKISA-N
HMDB52215,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,38,41-42,45,62H,4-8,10-11,13-16,19,22-24,30-35,37,39-40,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-/t62-/m1/s1",KNUQLCWHQNQZTD,VCJSKWPQSA,N,"TG(24:1(15Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))",KNUQLCWHQNQZTD-VCJSKWPQSA-N
HMDB52216,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,38,40-41,43,64H,4-7,9-10,12-16,19,22-24,31-37,39,42,44-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-/t64-/m1/s1",BREXEZYFZVILAA,LZOTUQJLSA,N,"TG(24:1(15Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))",BREXEZYFZVILAA-LZOTUQJLSA-N
HMDB52217,1012.845891316,C67H112O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,38,40-41,43,47,50,64H,4-7,9-10,12-16,19,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-",JIZMHPYDRSCMAB,SQZDDKCUSA,N,"TG(24:1(15Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",JIZMHPYDRSCMAB-SQZDDKCUSA-N
HMDB52218,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,42-43,45-46,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-41,44,47-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-/t66-/m1/s1",MYXSBZNINSBWJT,RFCGOFPHSA,N,"TG(24:1(15Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",MYXSBZNINSBWJT-RFCGOFPHSA-N
HMDB52219,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,42-43,45-46,52,55,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-/t66-/m1/s1",FWNYRPLCVVZSDN,YUPIJIPSSA,N,"TG(24:1(15Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FWNYRPLCVVZSDN-YUPIJIPSSA-N
HMDB52220,980.913576964,C65H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,63H,4-16,18-19,21-24,27,30-37,39-40,42-62H2,1-3H3/b20-17-,28-25-,29-26-,41-38-/t63-/m1/s1",MEMQTCOMSRWXBC,UTBMRTINSA,N,TG(24:1(15Z)/20:3n6/o-18:0),MEMQTCOMSRWXBC-UTBMRTINSA-N
HMDB52221,1074.955441764,C71H126O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,44,47,53,56,68H,4-17,19-20,22-24,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,47-44-,56-53-",WZNCADDCICJMIK,BAPDSYFUSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))",WZNCADDCICJMIK-BAPDSYFUSA-N
HMDB52222,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,38,41,47,50,62H,4-16,19,22-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",JOZDSBAFRLXJKE,ZHMGXMBYSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",JOZDSBAFRLXJKE-ZHMGXMBYSA-N
HMDB52223,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,38,41-42,45,47,50,62H,4-16,19,22-24,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-,50-47-/t62-/m1/s1",WPNDCVPTTIIRLV,HHIXABLNSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",WPNDCVPTTIIRLV-HHIXABLNSA-N
HMDB52224,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,40,43,49,52,64H,4-16,19,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t64-/m1/s1",BMZMDYHQOUIEIR,ICSYOKMKSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)",BMZMDYHQOUIEIR-ICSYOKMKSA-N
HMDB52225,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,40-41,43,49,52,64H,4-16,19,22-24,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,52-49-/t64-/m1/s1",USURBFSPGLKJLB,HGNMVPLVSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)",USURBFSPGLKJLB-HGNMVPLVSA-N
HMDB52226,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,40-41,43,47,49-50,52,64H,4-16,19,22-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",NXDICAVQZDAEOW,ZXOHKYTESA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",NXDICAVQZDAEOW-ZXOHKYTESA-N
HMDB52227,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,42,45,51,54,66H,4-16,19,22-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,45-42-,54-51-/t66-/m1/s1",CWJUHOJQNVQKSJ,QJGPPHMESA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",CWJUHOJQNVQKSJ-QJGPPHMESA-N
HMDB52228,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,42-43,45-46,51,54,66H,4-16,19,22-24,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-/t66-/m1/s1",YDIGCVJESBDFII,HYIJXRFASA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",YDIGCVJESBDFII-HYIJXRFASA-N
HMDB52229,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-16,19,22-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",QUGBLZZGBFFENG,VSVZIUMYSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QUGBLZZGBFFENG-VSVZIUMYSA-N
HMDB52230,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,38,41,47,50,62H,4-8,10-11,13-16,19,22-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",PEFNJMWYGOEPDQ,QZEYXJHFSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",PEFNJMWYGOEPDQ-QZEYXJHFSA-N
HMDB52231,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,38,41-42,45,47,50,62H,4-8,10-11,13-16,19,22-24,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-,50-47-/t62-/m1/s1",MQDBCPKGBOHNOR,ADGQZISRSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",MQDBCPKGBOHNOR-ADGQZISRSA-N
HMDB52232,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,38,40-41,43,49,52,64H,4-7,9-10,12-16,19,22-24,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,52-49-/t64-/m1/s1",JIYHWJOTLVMAMG,UGHVKRAHSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",JIYHWJOTLVMAMG-UGHVKRAHSA-N
HMDB52233,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,38,40-41,43,47,49-50,52,64H,4-7,9-10,12-16,19,22-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",WCPILMWFGOARRS,VUHWKGJFSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WCPILMWFGOARRS-VUHWKGJFSA-N
HMDB52234,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,42-43,45-46,51,54,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-/t66-/m1/s1",WBBIMWAQJYHOLD,LSDUKBENSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WBBIMWAQJYHOLD-LSDUKBENSA-N
HMDB52235,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",QJMXZHXZXLVIDQ,PHNWBMTRSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QJMXZHXZXLVIDQ-PHNWBMTRSA-N
HMDB52236,978.8979269,C65H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,47,50,63H,4-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b20-17-,28-25-,29-26-,41-38-,50-47-/t63-/m1/s1",AMJXJASHSWLYRL,QBAWUMDKSA,N,"TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)",AMJXJASHSWLYRL-QBAWUMDKSA-N
HMDB52237,1107.01804202,C73H134O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C73H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,70H,4-17,19-20,22-24,31-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-",QKKGYFPCFJGWJP,FVCHKXIASA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/24:1(15Z))",QKKGYFPCFJGWJP-FVCHKXIASA-N
HMDB52238,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,38,64H,4-16,19,22-24,30-37,39-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,38-27-/t64-/m1/s1",CYEUCUDDPHUPDN,XOSIKHKMSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/18:2(9Z,12Z))",CYEUCUDDPHUPDN-XOSIKHKMSA-N
HMDB52239,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,38,44,47,64H,4-16,19,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,38-27-,47-44-/t64-/m1/s1",RTFBWPNVORYJEE,HGJGEUCXSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))",RTFBWPNVORYJEE-HGJGEUCXSA-N
HMDB52240,1048.939791713,C69H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,66H,4-16,19,22-24,31-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-/t66-/m1/s1",LQBHBMFZCDCFMP,VYBCTTLOSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/20:2n6)",LQBHBMFZCDCFMP-VYBCTTLOSA-N
HMDB52241,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,40,43,66H,4-16,19,22-24,31-39,41-42,44-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,43-40-/t66-/m1/s1",JUBYCIVIHLFHBA,GURLIDPJSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/20:3n6)",JUBYCIVIHLFHBA-GURLIDPJSA-N
HMDB52242,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,40,43,49,52,66H,4-16,19,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",WZUOWIFAZZIMBL,FXEWSCFYSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",WZUOWIFAZZIMBL-FXEWSCFYSA-N
HMDB52243,1076.971091842,C71H128O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,68H,4-16,19,22-24,31-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-/t68-/m1/s1",YGCNDORWIIUTMY,SQAMXFDJSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/22:2(13Z,16Z))",YGCNDORWIIUTMY-SQAMXFDJSA-N
HMDB52244,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,39,45,48,68H,4-16,19,22-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",CYHWUASINCSYQF,KFOCXGEJSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",CYHWUASINCSYQF-KFOCXGEJSA-N
HMDB52245,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,39,45,48,54,57,68H,4-16,19,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",DAPWIYXRCXHLPI,KLQVBJNUSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DAPWIYXRCXHLPI-KLQVBJNUSA-N
HMDB52246,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,64H,4-8,10-11,13-16,19,22-24,30-37,39-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-/t64-/m1/s1",PSHAKVIJUMQGLI,UODJBVOYSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",PSHAKVIJUMQGLI-UODJBVOYSA-N
HMDB52247,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,44,47,64H,4-8,10-11,13-16,19,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-,47-44-/t64-/m1/s1",LYPDVYPAFZJERH,BQUFTRTCSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",LYPDVYPAFZJERH-BQUFTRTCSA-N
HMDB52248,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,40,43,66H,4-8,10-11,13-16,19,22-24,31-39,41-42,44-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-/t66-/m1/s1",FZSRPHADKCJCFU,GCHYVMNBSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",FZSRPHADKCJCFU-GCHYVMNBSA-N
HMDB52249,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,40,43,49,52,66H,4-8,10-11,13-16,19,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",YSDRHWKMHPSDON,GUFLWWSJSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YSDRHWKMHPSDON-GUFLWWSJSA-N
HMDB52250,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,39,45,48,68H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",KOWBZSFFVWCDMD,UOTNYSBBSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KOWBZSFFVWCDMD-UOTNYSBBSA-N
HMDB52251,1068.908491584,C71H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",WCFGGYNJXGPUHE,DXTKIXAQSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WCFGGYNJXGPUHE-DXTKIXAQSA-N
HMDB52252,1010.960527157,C67H126O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,65H,4-16,18-19,21-24,27,30-64H2,1-3H3/b20-17-,28-25-,29-26-/t65-/m1/s1",MUZOUXWVQKQOLA,VMNTVSPWSA,N,"TG(24:1(15Z)/22:2(13Z,16Z)/o-18:0)",MUZOUXWVQKQOLA-VMNTVSPWSA-N
HMDB52253,1102.986741892,C73H130O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,43,49,52,70H,4-17,19-20,22-24,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-38-,52-49-",ZGXBXDMIBWUTGU,PFWPHPSSSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",ZGXBXDMIBWUTGU-PFWPHPSSSA-N
HMDB52254,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,37-38,43,46,64H,4-16,19,22-24,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-/t64-/m1/s1",LANLMMMDLVNDFZ,LADQGFSKSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",LANLMMMDLVNDFZ-LADQGFSKSA-N
HMDB52255,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,37-38,43-44,46-47,64H,4-16,19,22-24,30-33,35-36,39-42,45,48-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-/t64-/m1/s1",HDTTYIVZQQHYPJ,YLLMZQOGSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",HDTTYIVZQQHYPJ-YLLMZQOGSA-N
HMDB52256,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,39,45,48,66H,4-16,19,22-24,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,48-45-/t66-/m1/s1",KENUDSVVCKPQAJ,GKCXPPEHSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)",KENUDSVVCKPQAJ-GKCXPPEHSA-N
HMDB52257,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,39-40,43,45,48,66H,4-16,19,22-24,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-/t66-/m1/s1",TZSROWMXAMMVDL,GJDPQSFDSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)",TZSROWMXAMMVDL-GJDPQSFDSA-N
HMDB52258,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,39-40,43,45,48-49,52,66H,4-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-/t66-/m1/s1",ZCPCAGRACWRQAO,UOXHFLBOSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",ZCPCAGRACWRQAO-UOXHFLBOSA-N
HMDB52259,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,37,41,47,50,68H,4-16,19,22-24,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-/t68-/m1/s1",RONUZBZBNYPCEB,OMBJCGNJSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",RONUZBZBNYPCEB-OMBJCGNJSA-N
HMDB52260,1068.908491584,C71H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36-37,39,41,45,47-48,50,68H,4-16,19,22-24,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-/t68-/m1/s1",KJQBIVCHKYINFU,RDPIHXFISA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",KJQBIVCHKYINFU-RDPIHXFISA-N
HMDB52261,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,57,68H,4-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-/t68-/m1/s1",ZAJIKJUATOKKFP,JURVBGIQSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZAJIKJUATOKKFP-JURVBGIQSA-N
HMDB52262,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,37-38,43,46,64H,4-8,10-11,13-16,19,22-24,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-/t64-/m1/s1",FFIVPTGNUBGXPP,KPVBWXQXSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",FFIVPTGNUBGXPP-KPVBWXQXSA-N
HMDB52263,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,37-38,43-44,46-47,64H,4-8,10-11,13-16,19,22-24,30-33,35-36,39-42,45,48-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-/t64-/m1/s1",FHHPFOQIJQCAID,GBHCXVOZSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",FHHPFOQIJQCAID-GBHCXVOZSA-N
HMDB52264,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,39-40,43,45,48,66H,4-8,10-11,13-16,19,22-24,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-/t66-/m1/s1",MMQBFQZEPYRXEN,JXMAQXQASA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",MMQBFQZEPYRXEN-JXMAQXQASA-N
HMDB52265,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,39-40,43,45,48-49,52,66H,4-8,10-11,13-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-/t66-/m1/s1",RZDRTEAUKPVNHX,CGBWXSSNSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RZDRTEAUKPVNHX-CGBWXSSNSA-N
HMDB52266,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36-37,39,41,45,47-48,50,68H,4-7,9-10,12-16,19,22-24,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-/t68-/m1/s1",UXURLJFGOZJXGD,QUGYUQISSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UXURLJFGOZJXGD-QUGYUQISSA-N
HMDB52267,1064.877191455,C71H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,57,68H,4-7,9-10,12-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-/t68-/m1/s1",NJDQVHVRCCQILB,UAZGUAOSSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NJDQVHVRCCQILB-UAZGUAOSSA-N
HMDB52268,1006.929227028,C67H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,43,46,65H,4-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-64H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,46-43-/t65-/m1/s1",RRKPZWXEQIJSON,AZRMUIFHSA,N,"TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)",RRKPZWXEQIJSON-AZRMUIFHSA-N
HMDB52269,1100.971091828,C73H128O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,43,49,52,58,61,70H,4-17,19-20,22-24,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-38-,52-49-,61-58-",HGANMJZROFEZRC,XHYOYBAXSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))",HGANMJZROFEZRC-XHYOYBAXSA-N
HMDB52270,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,37-38,43,46,52,55,64H,4-16,19,22-24,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,55-52-/t64-/m1/s1",QDFGGSOWLZLEKN,MHWAVINASA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",QDFGGSOWLZLEKN-MHWAVINASA-N
HMDB52271,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,37-38,43-44,46-47,52,55,64H,4-16,19,22-24,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-/t64-/m1/s1",BLMUUEIUTWUXLX,JJUABEBKSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",BLMUUEIUTWUXLX-JJUABEBKSA-N
HMDB52272,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,39,45,48,54,57,66H,4-16,19,22-24,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,48-45-,57-54-/t66-/m1/s1",ZPWMBEBKZTVBJX,BLEWDYETSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",ZPWMBEBKZTVBJX-BLEWDYETSA-N
HMDB52273,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,39-40,43,45,48,54,57,66H,4-16,19,22-24,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-/t66-/m1/s1",YCSKNBWWWNIRCP,XFEFHDQSSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",YCSKNBWWWNIRCP-XFEFHDQSSA-N
HMDB52274,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-/t66-/m1/s1",IJSGUVLAZRLKSA,ASIUBPBBSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",IJSGUVLAZRLKSA-ASIUBPBBSA-N
HMDB52275,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,37,41,47,50,56,59,68H,4-16,19,22-24,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-,59-56-/t68-/m1/s1",ASFDQVCZRFBLGO,VIYIVDEWSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",ASFDQVCZRFBLGO-VIYIVDEWSA-N
HMDB52276,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36-37,39,41,45,47-48,50,56,59,68H,4-16,19,22-24,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-/t68-/m1/s1",XUBIUBZBSWTLGF,LTOKZXGASA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",XUBIUBZBSWTLGF-LTOKZXGASA-N
HMDB52277,1064.877191455,C71H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-/t68-/m1/s1",WTNZECGQIIQOBK,XBURXUCFSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WTNZECGQIIQOBK-XBURXUCFSA-N
HMDB52278,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,37-38,43,46,52,55,64H,4-8,10-11,13-16,19,22-24,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,55-52-/t64-/m1/s1",PCCJPDMTAQHLCS,CDSKIOGYSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",PCCJPDMTAQHLCS-CDSKIOGYSA-N
HMDB52279,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,37-38,43-44,46-47,52,55,64H,4-8,10-11,13-16,19,22-24,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-/t64-/m1/s1",NFVCLRCFTFPWGX,ZXJIXJCSSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",NFVCLRCFTFPWGX-ZXJIXJCSSA-N
HMDB52280,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,39-40,43,45,48,54,57,66H,4-8,10-11,13-16,19,22-24,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-/t66-/m1/s1",WRGTXFOCKLAIHC,YUBWHZOTSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",WRGTXFOCKLAIHC-YUBWHZOTSA-N
HMDB52281,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-8,10-11,13-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-/t66-/m1/s1",SDXPWGRRWAFUMU,HFKZVQQRSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SDXPWGRRWAFUMU-HFKZVQQRSA-N
HMDB52282,1064.877191455,C71H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36-37,39,41,45,47-48,50,56,59,68H,4-7,9-10,12-16,19,22-24,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-/t68-/m1/s1",JHGARSKIENWEFN,IHHQYOMOSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JHGARSKIENWEFN-IHHQYOMOSA-N
HMDB52283,1062.861541391,C71H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-7,9-10,12-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-/t68-/m1/s1",YPWFSPKTQUKCEN,CMATVALMSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YPWFSPKTQUKCEN-CMATVALMSA-N
HMDB52284,1004.913576964,C67H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,43,46,52,55,65H,4-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-51,53-54,56-64H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,46-43-,55-52-/t65-/m1/s1",IEHIXWGSCIAXQZ,SOJYKCANSA,N,"TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",IEHIXWGSCIAXQZ-SOJYKCANSA-N
HMDB52285,1048.9397917,C69H124O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,40,66H,4-8,10-11,13-17,19-20,22-24,30-39,41-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,40-27-",UJTVFPBCOBYKET,USLGWAEGSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/24:1(15Z))",UJTVFPBCOBYKET-USLGWAEGSA-N
HMDB52286,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,34-35,60H,4-8,10-11,13-16,19,22-24,29-33,36-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,34-26-,35-27-/t60-/m1/s1",NAYLGIBYZIJGJI,DBZHIINUSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",NAYLGIBYZIJGJI-DBZHIINUSA-N
HMDB52287,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,34-35,40,43,60H,4-8,10-11,13-16,19,22-24,29-33,36-39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-/t60-/m1/s1",DYZUFINDPKQICS,WWZMODAQSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",DYZUFINDPKQICS-WWZMODAQSA-N
HMDB52288,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,62H,4-8,10-11,13-16,19,22-24,30-35,37-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",AWYBIEXCVYJVSH,KYHFIOHMSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/20:2n6)",AWYBIEXCVYJVSH-KYHFIOHMSA-N
HMDB52289,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,39,62H,4-8,10-11,13-16,19,22-24,30-35,38,40-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-/t62-/m1/s1",ZLAOJYSLKNPBEI,IMCHAWSJSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/20:3n6)",ZLAOJYSLKNPBEI-IMCHAWSJSA-N
HMDB52290,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,39,45,48,62H,4-8,10-11,13-16,19,22-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",ZNWYTOLCLHRZKE,GXRUZPEQSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",ZNWYTOLCLHRZKE-GXRUZPEQSA-N
HMDB52291,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,64H,4-8,10-11,13-16,19,22-24,30-37,39-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-/t64-/m1/s1",CPUCLXRALHEUQK,UODJBVOYSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",CPUCLXRALHEUQK-UODJBVOYSA-N
HMDB52292,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,41,44,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-/t64-/m1/s1",CKMWROOABSOZNR,OMCKYBGKSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",CKMWROOABSOZNR-OMCKYBGKSA-N
HMDB52293,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,41,44,50,53,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,53-50-/t64-/m1/s1",JHTYIBUANKBKFT,NPJVAOKYSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JHTYIBUANKBKFT-NPJVAOKYSA-N
HMDB52294,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,34-35,60H,4-7,10,13-16,19,22-24,29-33,36-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-/t60-/m1/s1",HTVJPQUTLKMHEC,HKRMLWGWSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",HTVJPQUTLKMHEC-HKRMLWGWSA-N
HMDB52295,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,34-35,40,43,60H,4-7,10,13-16,19,22-24,29-33,36-39,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-/t60-/m1/s1",XMEDZNCDBPSROA,MJBKJXDCSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",XMEDZNCDBPSROA-MJBKJXDCSA-N
HMDB52296,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,39,62H,4-7,10,13-16,19,22-24,30-35,38,40-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-/t62-/m1/s1",MVMQGHWLLNVBOP,LBFMKORSSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",MVMQGHWLLNVBOP-LBFMKORSSA-N
HMDB52297,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,39,45,48,62H,4-7,10,13-16,19,22-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,48-45-/t62-/m1/s1",LNLXGVXSAMKIMV,VNGGIEFJSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LNLXGVXSAMKIMV-VNGGIEFJSA-N
HMDB52298,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,41,44,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-/t64-/m1/s1",WDUUZHABGKYHKW,VVLDDERJSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WDUUZHABGKYHKW-VVLDDERJSA-N
HMDB52299,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,41,44,50,53,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,53-50-/t64-/m1/s1",QOQAHWSAXPCPSY,ZUIDYTQKSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QOQAHWSAXPCPSY-ZUIDYTQKSA-N
HMDB52300,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,35,61H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-60H2,1-3H3/b12-9-,21-18-,28-25-,35-27-/t61-/m1/s1",UQQUTEPSRVSYRH,BVNIRHBSSA,N,"TG(24:1(15Z)/18:3(9Z,12Z,15Z)/o-18:0)",UQQUTEPSRVSYRH-BVNIRHBSSA-N
HMDB52301,1046.924141636,C69H122O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,40,48,51,66H,4-8,10-11,13-17,19-20,22-24,30-39,41-47,49-50,52-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,40-27-,51-48-",VOJMCOHHLZELQB,WADHEMOUSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",VOJMCOHHLZELQB-WADHEMOUSA-N
HMDB52302,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,34-35,42,45,60H,4-8,10-11,13-16,19,22-24,29-33,36-41,43-44,46-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,45-42-/t60-/m1/s1",NVISSRKLMPJZRM,UDTXGNODSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",NVISSRKLMPJZRM-UDTXGNODSA-N
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HMDB52304,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,44,47,62H,4-8,10-11,13-16,19,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,47-44-/t62-/m1/s1",LEQPFHKDXITXDQ,XOOYKNPHSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)",LEQPFHKDXITXDQ-XOOYKNPHSA-N
HMDB52305,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,39,44,47,62H,4-8,10-11,13-16,19,22-24,30-35,38,40-43,45-46,48-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-/t62-/m1/s1",LZHFKNOKYKEWCC,OASNUCROSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)",LZHFKNOKYKEWCC-OASNUCROSA-N
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HMDB52307,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,46,49,64H,4-8,10-11,13-16,19,22-24,30-37,39-45,47-48,50-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-,49-46-/t64-/m1/s1",LWQKELLQCGDBLV,MHUJWDOLSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",LWQKELLQCGDBLV-MHUJWDOLSA-N
HMDB52308,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,41,44,46,49,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-/t64-/m1/s1",LMGPNVWUNKANIJ,SRGIOGGASA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",LMGPNVWUNKANIJ-SRGIOGGASA-N
HMDB52309,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,41,44,46,49-50,53,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-/t64-/m1/s1",BKEDDXAZUKUYHD,UCMXPDPPSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BKEDDXAZUKUYHD-UCMXPDPPSA-N
HMDB52310,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,34-35,42,45,60H,4-7,10,13-16,19,22-24,29-33,36-41,43-44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,45-42-/t60-/m1/s1",DIQHRWHXSVXJHW,QJWAGHRUSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",DIQHRWHXSVXJHW-QJWAGHRUSA-N
HMDB52311,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,34-35,40,42-43,45,60H,4-7,10,13-16,19,22-24,29-33,36-39,41,44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,45-42-/t60-/m1/s1",HGDIZRAUCJKNGD,LGQABYQNSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",HGDIZRAUCJKNGD-LGQABYQNSA-N
HMDB52312,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,39,44,47,62H,4-7,10,13-16,19,22-24,30-35,38,40-43,45-46,48-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-/t62-/m1/s1",OSMNSVUHEKELKQ,CWVQHSFBSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",OSMNSVUHEKELKQ-CWVQHSFBSA-N
HMDB52313,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,39,44-45,47-48,62H,4-7,10,13-16,19,22-24,30-35,38,40-43,46,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-,48-45-/t62-/m1/s1",XILDZJZJDHHUPB,FAJDQTHSSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XILDZJZJDHHUPB-FAJDQTHSSA-N
HMDB52314,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,41,44,46,49,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-/t64-/m1/s1",ZZADLPIJGPXBEL,DCIRBDDVSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZZADLPIJGPXBEL-DCIRBDDVSA-N
HMDB52315,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,41,44,46,49-50,53,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-/t64-/m1/s1",GRVUEJRDYXHKBP,PEQMVMAOSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GRVUEJRDYXHKBP-PEQMVMAOSA-N
HMDB52316,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,35,42,45,61H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-41,43-44,46-60H2,1-3H3/b12-9-,21-18-,28-25-,35-27-,45-42-/t61-/m1/s1",STBHWPRLUZOAIJ,ZWQRGCETSA,N,"TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)",STBHWPRLUZOAIJ-ZWQRGCETSA-N
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HMDB52319,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36,38,41-42,45,62H,4-7,9-10,12-16,19,22-24,30-35,37,39-40,43-44,46-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-/t62-/m1/s1",UJYJFIFKEMDXSC,FCMLUTFXSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",UJYJFIFKEMDXSC-FCMLUTFXSA-N
HMDB52320,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,40,43,64H,4-8,10-11,13-16,19,22-24,31-39,41-42,44-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-/t64-/m1/s1",JOCUCRUHEYYXPS,ADIVEFMWSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)",JOCUCRUHEYYXPS-ADIVEFMWSA-N
HMDB52321,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,40-41,43,64H,4-8,10-11,13-16,19,22-24,31-37,39,42,44-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-/t64-/m1/s1",IQISCUVGBJZKCD,ITIMEXETSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)",IQISCUVGBJZKCD-ITIMEXETSA-N
HMDB52322,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,40-41,43,47,50,64H,4-8,10-11,13-16,19,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-/t64-/m1/s1",SEJMSVIFNWTEDC,PGIVNXSPSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",SEJMSVIFNWTEDC-PGIVNXSPSA-N
HMDB52323,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,42,45,66H,4-8,10-11,13-16,19,22-24,31-41,43-44,46-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,45-42-/t66-/m1/s1",ZZEFPORPKMIPCN,AMCGCNGMSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",ZZEFPORPKMIPCN-AMCGCNGMSA-N
HMDB52324,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,42-43,45-46,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39-41,44,47-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-/t66-/m1/s1",DEEBLBHTFRJWMK,HCACWGDXSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",DEEBLBHTFRJWMK-HCACWGDXSA-N
HMDB52325,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,42-43,45-46,52,55,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-/t66-/m1/s1",OTBPGHDFZGPJAW,HNCUFSFMSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OTBPGHDFZGPJAW-HNCUFSFMSA-N
HMDB52326,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36,38,41,62H,4-7,10,13-16,19,22-24,30-35,37,39-40,42-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-/t62-/m1/s1",OCIZIJIPLJMOAF,JGCJBEHOSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",OCIZIJIPLJMOAF-JGCJBEHOSA-N
HMDB52327,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36,38,41-42,45,62H,4-7,10,13-16,19,22-24,30-35,37,39-40,43-44,46-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-/t62-/m1/s1",BKQDVEJFPOCLFD,HBZAGDLFSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",BKQDVEJFPOCLFD-HBZAGDLFSA-N
HMDB52328,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,38,40-41,43,64H,4-7,10,13-16,19,22-24,31-37,39,42,44-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-/t64-/m1/s1",UKWVUHPPCZMXNW,BUEJTYAVSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",UKWVUHPPCZMXNW-BUEJTYAVSA-N
HMDB52329,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,38,40-41,43,47,50,64H,4-7,10,13-16,19,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-/t64-/m1/s1",JASGJXFHDOHGLK,ZXYSHACVSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JASGJXFHDOHGLK-ZXYSHACVSA-N
HMDB52330,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,42-43,45-46,66H,4-7,10,13-16,19,22-24,31-34,36-37,39-41,44,47-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-/t66-/m1/s1",AAZLBQIWPSJHIZ,XGUPTXRGSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AAZLBQIWPSJHIZ-XGUPTXRGSA-N
HMDB52331,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,42-43,45-46,52,55,66H,4-7,10,13-16,19,22-24,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-/t66-/m1/s1",ZTNSKTNPNQTKHR,BQKJJZIOSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZTNSKTNPNQTKHR-BQKJJZIOSA-N
HMDB52332,978.8979269,C65H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,38,41,63H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-/t63-/m1/s1",HGWIDOVDRZMOBU,HIJDHWHYSA,N,"TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)",HGWIDOVDRZMOBU-HIJDHWHYSA-N
HMDB52333,1072.9397917,C71H124O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,44,47,53,56,68H,4-8,10-11,13-17,19-20,22-24,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,47-44-,56-53-",TVXZWVVDGARFGK,AVLWFJFLSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))",TVXZWVVDGARFGK-AVLWFJFLSA-N
HMDB52334,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36,38,41,47,50,62H,4-7,9-10,12-16,19,22-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",AUMYOEGGWJBDJN,YJGAFNEYSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",AUMYOEGGWJBDJN-YJGAFNEYSA-N
HMDB52335,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36,38,41-42,45,47,50,62H,4-7,9-10,12-16,19,22-24,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-,50-47-/t62-/m1/s1",PPIAUSUQZPXOFL,UALOINEMSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",PPIAUSUQZPXOFL-UALOINEMSA-N
HMDB52336,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,40,43,49,52,64H,4-8,10-11,13-16,19,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t64-/m1/s1",QUTWACWXJQRYEU,LHLYFLCXSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)",QUTWACWXJQRYEU-LHLYFLCXSA-N
HMDB52337,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,40-41,43,49,52,64H,4-8,10-11,13-16,19,22-24,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,52-49-/t64-/m1/s1",IOFJRTJUJVSWRU,VDCLBJIUSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",IOFJRTJUJVSWRU-VDCLBJIUSA-N
HMDB52338,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,40-41,43,47,49-50,52,64H,4-8,10-11,13-16,19,22-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",GLPPHQPGAORFTH,NEIUYUBNSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",GLPPHQPGAORFTH-NEIUYUBNSA-N
HMDB52339,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,42,45,51,54,66H,4-8,10-11,13-16,19,22-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,45-42-,54-51-/t66-/m1/s1",IXZPRQIWLZAVNT,QDMAHVQSSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",IXZPRQIWLZAVNT-QDMAHVQSSA-N
HMDB52340,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,42-43,45-46,51,54,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-/t66-/m1/s1",PVTQBFGIMWTIRZ,JLROMQNCSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",PVTQBFGIMWTIRZ-JLROMQNCSA-N
HMDB52341,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",GRXOVPSEXGQGHG,LHQUPVGBSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GRXOVPSEXGQGHG-LHQUPVGBSA-N
HMDB52342,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36,38,41,47,50,62H,4-7,10,13-16,19,22-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1",DTWQVUAPSBLLEI,CHKMGTRESA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",DTWQVUAPSBLLEI-CHKMGTRESA-N
HMDB52343,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36,38,41-42,45,47,50,62H,4-7,10,13-16,19,22-24,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-,50-47-/t62-/m1/s1",OERXPXRJORSFLF,AKYQZAPKSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",OERXPXRJORSFLF-AKYQZAPKSA-N
HMDB52344,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,38,40-41,43,49,52,64H,4-7,10,13-16,19,22-24,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,52-49-/t64-/m1/s1",QDUPRXKMBBDAET,JFBLEARISA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",QDUPRXKMBBDAET-JFBLEARISA-N
HMDB52345,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,38,40-41,43,47,49-50,52,64H,4-7,10,13-16,19,22-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1",BHTQYRUJTKDVBG,IXCAFMFDSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BHTQYRUJTKDVBG-IXCAFMFDSA-N
HMDB52346,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,42-43,45-46,51,54,66H,4-7,10,13-16,19,22-24,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-/t66-/m1/s1",IDJMMZKGTNERON,UMUBLSMXSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IDJMMZKGTNERON-UMUBLSMXSA-N
HMDB52347,1034.830241262,C69H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,10,13-16,19,22-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-/t66-/m1/s1",LQMDOABUHCUIQZ,AZMZPXHZSA,N,"TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LQMDOABUHCUIQZ-AZMZPXHZSA-N
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HMDB52349,1100.971091828,C73H128O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,43,49,52,70H,4-8,10-11,13-17,19-20,22-24,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-38-,52-49-",BVCCZMBXZKHFFZ,VYYAEXCZSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",BVCCZMBXZKHFFZ-VYYAEXCZSA-N
HMDB52350,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,37-38,43,46,64H,4-7,9-10,12-16,19,22-24,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-/t64-/m1/s1",GTYAODAKLGIHBV,NCYZPABXSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",GTYAODAKLGIHBV-NCYZPABXSA-N
HMDB52351,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,37-38,43-44,46-47,64H,4-7,9-10,12-16,19,22-24,30-33,35-36,39-42,45,48-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-/t64-/m1/s1",ZKJSMHAKRQBAOA,LXCONCCXSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",ZKJSMHAKRQBAOA-LXCONCCXSA-N
HMDB52352,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,39,45,48,66H,4-7,9-10,12-16,19,22-24,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,48-45-/t66-/m1/s1",QNKAXVWQFSRDPF,FXGNRAFQSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)",QNKAXVWQFSRDPF-FXGNRAFQSA-N
HMDB52353,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,39-40,43,45,48,66H,4-7,9-10,12-16,19,22-24,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-/t66-/m1/s1",BJHOHCCLPIGZII,NDPLSDNWSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",BJHOHCCLPIGZII-NDPLSDNWSA-N
HMDB52354,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,39-40,43,45,48-49,52,66H,4-7,9-10,12-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-/t66-/m1/s1",AZGNEOMEIUZNNT,GCPMQDILSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",AZGNEOMEIUZNNT-GCPMQDILSA-N
HMDB52355,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,37,41,47,50,68H,4-8,10-11,13-16,19,22-24,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-/t68-/m1/s1",IHAXALOOBCDAJE,TXJAPFBVSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",IHAXALOOBCDAJE-TXJAPFBVSA-N
HMDB52356,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,68H,4-8,10-11,13-16,19,22-24,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-/t68-/m1/s1",VUCSSPDYAFUHLB,NCFFDTKNSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",VUCSSPDYAFUHLB-NCFFDTKNSA-N
HMDB52357,1064.877191455,C71H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,57,68H,4-8,10-11,13-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-/t68-/m1/s1",LJODLGYRAVYTNX,MGGGKIJZSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LJODLGYRAVYTNX-MGGGKIJZSA-N
HMDB52358,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,37-38,43,46,64H,4-7,10,13-16,19,22-24,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-/t64-/m1/s1",MBKWXGRPFIZIKG,LNTXWCIWSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",MBKWXGRPFIZIKG-LNTXWCIWSA-N
HMDB52359,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,37-38,43-44,46-47,64H,4-7,10,13-16,19,22-24,30-33,35-36,39-42,45,48-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-/t64-/m1/s1",IXOZQSMLPOGWCZ,SMPCWTQSSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",IXOZQSMLPOGWCZ-SMPCWTQSSA-N
HMDB52360,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,39-40,43,45,48,66H,4-7,10,13-16,19,22-24,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-/t66-/m1/s1",MZFPHGDAVSXEPB,DIYLCGQSSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",MZFPHGDAVSXEPB-DIYLCGQSSA-N
HMDB52361,1036.845891316,C69H112O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,39-40,43,45,48-49,52,66H,4-7,10,13-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-",SMLCUCWNMQAZPQ,OHKFSXSZSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SMLCUCWNMQAZPQ-OHKFSXSZSA-N
HMDB52362,1064.877191455,C71H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,68H,4-7,10,13-16,19,22-24,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-/t68-/m1/s1",CQEZODOCKDYRGD,YIBVCBLLSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CQEZODOCKDYRGD-YIBVCBLLSA-N
HMDB52363,1062.861541391,C71H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,57,68H,4-7,10,13-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-/t68-/m1/s1",HYWQZKXHTJLXNS,UXVNUSSYSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HYWQZKXHTJLXNS-UXVNUSSYSA-N
HMDB52364,1004.913576964,C67H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,43,46,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,46-43-/t65-/m1/s1",FXLVKSXYADYWIP,MGEBQKLKSA,N,"TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",FXLVKSXYADYWIP-MGEBQKLKSA-N
HMDB52365,1098.955441764,C73H126O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C73H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,43,49,52,58,61,70H,4-8,10-11,13-17,19-20,22-24,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-38-,52-49-,61-58-",BVMWSZQGOKCKSO,OPAANMGRSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",BVMWSZQGOKCKSO-OPAANMGRSA-N
HMDB52366,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,37-38,43,46,52,55,64H,4-7,9-10,12-16,19,22-24,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,55-52-/t64-/m1/s1",XZBZIIYEYRJXQG,LVHDJPDRSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",XZBZIIYEYRJXQG-LVHDJPDRSA-N
HMDB52367,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,37-38,43-44,46-47,52,55,64H,4-7,9-10,12-16,19,22-24,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-/t64-/m1/s1",WXJDDUJFXSMDKC,KGUHQZCGSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",WXJDDUJFXSMDKC-KGUHQZCGSA-N
HMDB52368,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,39,45,48,54,57,66H,4-7,9-10,12-16,19,22-24,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,48-45-,57-54-/t66-/m1/s1",QCEIZVOHFXNMKP,ZECZZPBESA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",QCEIZVOHFXNMKP-ZECZZPBESA-N
HMDB52369,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,39-40,43,45,48,54,57,66H,4-7,9-10,12-16,19,22-24,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-/t66-/m1/s1",NLWUGIGFMQTFBH,MKBOPUERSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",NLWUGIGFMQTFBH-MKBOPUERSA-N
HMDB52370,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,9-10,12-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-/t66-/m1/s1",VKSVZSSTXKDAKQ,SEWDKOQOSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",VKSVZSSTXKDAKQ-SEWDKOQOSA-N
HMDB52371,1068.908491584,C71H120O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,37,41,47,50,56,59,68H,4-8,10-11,13-16,19,22-24,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-,59-56-/t68-/m1/s1",WHUDLTZRXOHKCE,SCSWADERSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",WHUDLTZRXOHKCE-SCSWADERSA-N
HMDB52372,1064.877191455,C71H116O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,56,59,68H,4-8,10-11,13-16,19,22-24,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-/t68-/m1/s1",JGLWFDRRIRYPGT,FUDMHMQNSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",JGLWFDRRIRYPGT-FUDMHMQNSA-N
HMDB52373,1062.861541391,C71H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-8,10-11,13-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-/t68-/m1/s1",VVGBDDHGEFPHNP,AGNKZXEYSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VVGBDDHGEFPHNP-AGNKZXEYSA-N
HMDB52374,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,37-38,43,46,52,55,64H,4-7,10,13-16,19,22-24,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,55-52-/t64-/m1/s1",HOKAQYDBXCVCRP,HXTWQCRCSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",HOKAQYDBXCVCRP-HXTWQCRCSA-N
HMDB52375,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,37-38,43-44,46-47,52,55,64H,4-7,10,13-16,19,22-24,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-/t64-/m1/s1",ZFYFGQGCPCHUJF,FEGOVXNFSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",ZFYFGQGCPCHUJF-FEGOVXNFSA-N
HMDB52376,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,39-40,43,45,48,54,57,66H,4-7,10,13-16,19,22-24,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-/t66-/m1/s1",IXMIFDLIONLLPJ,NUBXUTAQSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",IXMIFDLIONLLPJ-NUBXUTAQSA-N
HMDB52377,1034.830241262,C69H110O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,10,13-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-/t66-/m1/s1",SHCZGUUJPRMLDC,OJQRFPPASA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SHCZGUUJPRMLDC-OJQRFPPASA-N
HMDB52378,1062.861541391,C71H114O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,56,59,68H,4-7,10,13-16,19,22-24,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-/t68-/m1/s1",VHWRAFCCARCRSA,CSBCSDSYSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VHWRAFCCARCRSA-CSBCSDSYSA-N
HMDB52379,1060.845891326,C71H112O6,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-7,10,13-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-/t68-/m1/s1",IWPGRUJGNSUTGA,SPPIYLOYSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IWPGRUJGNSUTGA-SPPIYLOYSA-N
HMDB52380,1002.8979269,C67H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,43,46,52,55,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-51,53-54,56-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,46-43-,55-52-/t65-/m1/s1",JGHYGFUINJHOME,UXFYECPRSA,N,"TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",JGHYGFUINJHOME-UXFYECPRSA-N
HMDB52381,1041.007477334,C69H132O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-65-67(72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)66-74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,67H,4-24,27,30-66H2,1-3H3/b28-25-,29-26-",JETSTWCHGZCDPR,RZEXXKRKSA,N,TG(24:1(15Z)/o-18:0/24:1(15Z)),JETSTWCHGZCDPR-RZEXXKRKSA-N
HMDB52382,954.8979269,C63H118O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,35,61H,4-17,19-20,22-24,26,29-34,36-60H2,1-3H3/b21-18-,28-25-,35-27-/t61-/m1/s1",FMMAGCQSTTUUOF,NEPMHRMMSA,N,"TG(24:1(15Z)/o-18:0/18:2(9Z,12Z))",FMMAGCQSTTUUOF-NEPMHRMMSA-N
HMDB52383,952.882276835,C63H116O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,35,41,44,61H,4-17,19-20,22-24,26,29-34,36-40,42-43,45-60H2,1-3H3/b21-18-,28-25-,35-27-,44-41-/t61-/m1/s1",TVASWGWPZXLFFR,LBUQORGQSA,N,"TG(24:1(15Z)/o-18:0/18:3(6Z,9Z,12Z))",TVASWGWPZXLFFR-LBUQORGQSA-N
HMDB52384,982.929227028,C65H122O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,63H,4-16,18-19,21-24,27,30-62H2,1-3H3/b20-17-,28-25-,29-26-/t63-/m1/s1",HDJATXORLPFKJW,DIZOGMMSSA,N,TG(24:1(15Z)/o-18:0/20:2n6),HDJATXORLPFKJW-DIZOGMMSSA-N
HMDB52385,980.913576964,C65H120O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,40,63H,4-16,18-19,21-24,27,30-36,38-39,41-62H2,1-3H3/b20-17-,28-25-,29-26-,40-37-/t63-/m1/s1",MZJMVZUUAVQWDY,QHMBDWMASA,N,TG(24:1(15Z)/o-18:0/20:3n6),MZJMVZUUAVQWDY-QHMBDWMASA-N
HMDB52386,978.8979269,C65H118O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,40,46,49,63H,4-16,18-19,21-24,27,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b20-17-,28-25-,29-26-,40-37-,49-46-/t63-/m1/s1",FZHHPNIBEHXRIU,KFOVEQNWSA,N,"TG(24:1(15Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))",FZHHPNIBEHXRIU-KFOVEQNWSA-N
HMDB52387,1010.960527157,C67H126O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,65H,4-16,18-19,21-24,27,30-64H2,1-3H3/b20-17-,28-25-,29-26-/t65-/m1/s1",NUAVQJQJYOUEJU,VMNTVSPWSA,N,"TG(24:1(15Z)/o-18:0/22:2(13Z,16Z))",NUAVQJQJYOUEJU-VMNTVSPWSA-N
HMDB52388,1006.929227028,C67H122O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,42,45,65H,4-16,18-19,21-24,27,30-34,36,38-41,43-44,46-64H2,1-3H3/b20-17-,28-25-,29-26-,37-35-,45-42-/t65-/m1/s1",CJMAUYWWWAQVNQ,SLQKMFMCSA,N,"TG(24:1(15Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))",CJMAUYWWWAQVNQ-SLQKMFMCSA-N
HMDB52389,1004.913576964,C67H120O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,42,45,51,54,65H,4-16,18-19,21-24,27,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b20-17-,28-25-,29-26-,37-35-,45-42-,54-51-/t65-/m1/s1",PBGBPFLNMGKRRB,SVKXPBCSSA,N,"TG(24:1(15Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",PBGBPFLNMGKRRB-SVKXPBCSSA-N
HMDB52390,952.882276835,C63H116O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,35,61H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-60H2,1-3H3/b12-9-,21-18-,28-25-,35-27-/t61-/m1/s1",MGIADBDESXZBTF,BVNIRHBSSA,N,"TG(24:1(15Z)/o-18:0/18:3(9Z,12Z,15Z))",MGIADBDESXZBTF-BVNIRHBSSA-N
HMDB52391,950.866626771,C63H114O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,35,41,44,61H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-40,42-43,45-60H2,1-3H3/b12-9-,21-18-,28-25-,35-27-,44-41-/t61-/m1/s1",HMRLAHOLCLZNNW,OIVAJGPLSA,N,"TG(24:1(15Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",HMRLAHOLCLZNNW-OIVAJGPLSA-N
HMDB52392,978.8979269,C65H118O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,63H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-/t63-/m1/s1",SABYQVNNCHZDIZ,FTYVMEFTSA,N,"TG(24:1(15Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",SABYQVNNCHZDIZ-FTYVMEFTSA-N
HMDB52393,976.882276835,C65H116O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,46,49,63H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-,49-46-/t63-/m1/s1",LVTHROSIXQOOJG,IACXXEAUSA,N,"TG(24:1(15Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",LVTHROSIXQOOJG-IACXXEAUSA-N
HMDB52394,1004.913576964,C67H120O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,42,45,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,45-42-/t65-/m1/s1",WXIZMNGUDGJPGF,FEZVQRNQSA,N,"TG(24:1(15Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",WXIZMNGUDGJPGF-FEZVQRNQSA-N
HMDB52395,1002.8979269,C67H118O5,[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,42,45,51,54,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,45-42-,54-51-/t65-/m1/s1",JETIGCZKYUESJL,RCZJHBGBSA,N,"TG(24:1(15Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JETIGCZKYUESJL-RCZJHBGBSA-N
HMDB52397,824.689390682,C53H92O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31,33,50H,4-15,18,21-23,28-30,32,34-49H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,33-31-/t50-/m1/s1",FJCNANMWKVKMLE,XTQOFVKHSA,N,"TG(18:2(9Z,12Z)/14:0/18:3(6Z,9Z,12Z))",FJCNANMWKVKMLE-XTQOFVKHSA-N
HMDB52398,854.736340876,C55H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28,52H,4-15,18,21-23,27,29-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-/t52-/m0/s1",SDWXOBBZWIVJLZ,ULHNGCIUSA,N,"TG(18:2(9Z,12Z)/14:0/20:2n6)",SDWXOBBZWIVJLZ-ULHNGCIUSA-N
HMDB52399,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,52H,4-15,18,21-23,27,30,32-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m0/s1",LPABDPJNNDGDTQ,BLIQHNSJSA,N,"TG(18:2(9Z,12Z)/14:0/20:3n6)",LPABDPJNNDGDTQ-BLIQHNSJSA-N
HMDB52401,882.767641004,C57H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,30,54H,4-15,18,21-23,27-29,31-53H2,1-3H3/b19-16-,20-17-,26-24-,30-25-/t54-/m0/s1",LDVDALBKRWDBPL,WTNQUSKBSA,N,"TG(18:2(9Z,12Z)/14:0/22:2(13Z,16Z))",LDVDALBKRWDBPL-WTNQUSKBSA-N
HMDB52402,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,36,54H,4-15,18,21-23,27,31-32,34-35,37-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",GKTKNWIZYRFBBZ,PRHWSHMVSA,N,"TG(18:2(9Z,12Z)/14:0/22:4(7Z,10Z,13Z,16Z))",GKTKNWIZYRFBBZ-PRHWSHMVSA-N
HMDB52403,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,36,41,44,54H,4-15,18,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m0/s1",UKTUHAYKAZYEMX,CMSXDBSZSA,N,"TG(18:2(9Z,12Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",UKTUHAYKAZYEMX-CMSXDBSZSA-N
HMDB52405,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,31,33,50H,4-6,8-9,11-15,18,21-23,28-30,32,34-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,33-31-/t50-/m1/s1",ONRCSNAWKHLOGQ,UUGSFBMOSA,N,"TG(18:2(9Z,12Z)/14:0/18:4(6Z,9Z,12Z,15Z))",ONRCSNAWKHLOGQ-UUGSFBMOSA-N
HMDB52406,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,52H,4-6,8-9,11-15,18,21-23,27,30,32-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m0/s1",NDLPOOAZGRXAKN,DMDUGMRHSA,N,"TG(18:2(9Z,12Z)/14:0/20:4(8Z,11Z,14Z,17Z))",NDLPOOAZGRXAKN-DMDUGMRHSA-N
HMDB52407,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,36,39,52H,4-6,8-9,11-15,18,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1",ZQRWAHMGRMGMBF,BWNWSNSQSA,N,"TG(18:2(9Z,12Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZQRWAHMGRMGMBF-BWNWSNSQSA-N
HMDB52408,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,36,54H,4-6,8-9,11-15,18,21-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",YZWPJPOSBFGFSJ,BGUOWRGWSA,N,"TG(18:2(9Z,12Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",YZWPJPOSBFGFSJ-BGUOWRGWSA-N
HMDB52409,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,36,41,44,54H,4-6,8-9,11-15,18,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m0/s1",FZNBYZPBGMRHIU,IMGUYTLQSA,N,"TG(18:2(9Z,12Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FZNBYZPBGMRHIU-IMGUYTLQSA-N
HMDB52410,816.75707632,C53H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,51H,4-16,18-19,21-24,26,28-50H2,1-3H3/b20-17-,27-25-/t51-/m1/s1",SNZCBBNBCJHNQZ,CDRGWSHPSA,N,"TG(18:2(9Z,12Z)/14:0/o-18:0)",SNZCBBNBCJHNQZ-CDRGWSHPSA-N
HMDB52411,840.720690811,C54H96O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,51H,4-15,18,21-24,29-50H2,1-3H3/b19-16-,20-17-,27-25-,28-26-",KALZXIDJUCXOTI,YBQWMRSQSA,N,"TG(18:2(9Z,12Z)/15:0/18:2(9Z,12Z))",KALZXIDJUCXOTI-YBQWMRSQSA-N
HMDB52412,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,51H,4-15,18,21-24,29-31,33,35-50H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-/t51-/m1/s1",CVIORKJLVJLQEK,RVAJYVEESA,N,"TG(18:2(9Z,12Z)/15:0/18:3(6Z,9Z,12Z))",CVIORKJLVJLQEK-RVAJYVEESA-N
HMDB52413,868.75199094,C56H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,53H,4-15,18,21-24,28,30-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-/t53-/m0/s1",POJOAVCWDGEHMB,IJJKIVKYSA,N,"TG(18:2(9Z,12Z)/15:0/20:2n6)",POJOAVCWDGEHMB-IJJKIVKYSA-N
HMDB52414,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,53H,4-15,18,21-24,28,31,33-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-/t53-/m0/s1",QSTYAPYJXHUADG,BUPMYVNUSA,N,"TG(18:2(9Z,12Z)/15:0/20:3n6)",QSTYAPYJXHUADG-BUPMYVNUSA-N
HMDB52415,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,37,40,53H,4-15,18,21-24,28,31,33-36,38-39,41-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,40-37-/t53-/m0/s1",RTAXOTPVJOLUBL,KLMOFYKUSA,N,"TG(18:2(9Z,12Z)/15:0/20:4(5Z,8Z,11Z,14Z))",RTAXOTPVJOLUBL-KLMOFYKUSA-N
HMDB52416,896.783291069,C58H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,55H,4-15,18,21-24,28-30,32-54H2,1-3H3/b19-16-,20-17-,27-25-,31-26-/t55-/m0/s1",YJZARZPHBIAWSP,WFWVJCKJSA,N,"TG(18:2(9Z,12Z)/15:0/22:2(13Z,16Z))",YJZARZPHBIAWSP-WFWVJCKJSA-N
HMDB52417,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,37,55H,4-15,18,21-24,28,32-33,35-36,38-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1",HMIJMMGIRLLARF,HTCAPOBFSA,N,"TG(18:2(9Z,12Z)/15:0/22:4(7Z,10Z,13Z,16Z))",HMIJMMGIRLLARF-HTCAPOBFSA-N
HMDB52418,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,37,42,45,55H,4-15,18,21-24,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,45-42-/t55-/m0/s1",NYZVLUFQDXCVEB,KHTCPCHYSA,N,"TG(18:2(9Z,12Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",NYZVLUFQDXCVEB-KHTCPCHYSA-N
HMDB52419,838.705040747,C54H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,51H,4-6,8-9,11-15,18,21-24,29-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-/t51-/m1/s1",VMBVTDJYPGSHJZ,HGHNBNCWSA,N,"TG(18:2(9Z,12Z)/15:0/18:3(9Z,12Z,15Z))",VMBVTDJYPGSHJZ-HGHNBNCWSA-N
HMDB52420,836.689390682,C54H92O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,32,34,51H,4-6,8-9,11-15,18,21-24,29-31,33,35-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-32-/t51-/m1/s1",HCPYIWIUOSHDMO,JHRMLMOASA,N,"TG(18:2(9Z,12Z)/15:0/18:4(6Z,9Z,12Z,15Z))",HCPYIWIUOSHDMO-JHRMLMOASA-N
HMDB52421,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,53H,4-6,8-9,11-15,18,21-24,28,31,33-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-/t53-/m0/s1",ULEWNRGIPCPMMC,MMRFHJBISA,N,"TG(18:2(9Z,12Z)/15:0/20:4(8Z,11Z,14Z,17Z))",ULEWNRGIPCPMMC-MMRFHJBISA-N
HMDB52422,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,37,40,53H,4-6,8-9,11-15,18,21-24,28,31,33-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,40-37-/t53-/m0/s1",ZYSXFVDKPPBTPX,HGIRYSPHSA,N,"TG(18:2(9Z,12Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZYSXFVDKPPBTPX-HGIRYSPHSA-N
HMDB52423,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,37,55H,4-6,8-9,11-15,18,21-24,28,32-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1",QUWRQMVRFGQGBE,KJIBFNLWSA,N,"TG(18:2(9Z,12Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",QUWRQMVRFGQGBE-KJIBFNLWSA-N
HMDB52424,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,37,42,45,55H,4-6,8-9,11-15,18,21-24,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,45-42-/t55-/m0/s1",LASXZLMPEKOHFP,DJUUHQSRSA,N,"TG(18:2(9Z,12Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LASXZLMPEKOHFP-DJUUHQSRSA-N
HMDB52425,830.772726384,C54H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H102O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,52H,4-16,18-19,21-25,27,29-51H2,1-3H3/b20-17-,28-26-/t52-/m1/s1",XQBZGYHCFCUSLQ,MXIZALJSSA,N,"TG(18:2(9Z,12Z)/15:0/o-18:0)",XQBZGYHCFCUSLQ-MXIZALJSSA-N
HMDB52426,854.736340876,C55H98O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,52H,4-15,18,21-24,29-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-",KRVYYALDCAWYEF,YBQWMRSQSA,N,"TG(18:2(9Z,12Z)/16:0/18:2(9Z,12Z))",KRVYYALDCAWYEF-YBQWMRSQSA-N
HMDB52427,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,35,52H,4-15,18,21-24,29-31,33-34,36-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-32-/t52-/m1/s1",GIPISOXQGTUPKE,ZWNRZCITSA,N,"TG(18:2(9Z,12Z)/16:0/18:3(6Z,9Z,12Z))",GIPISOXQGTUPKE-ZWNRZCITSA-N
HMDB52428,882.767641004,C57H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,54H,4-15,18,21-24,28,30-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-/t54-/m0/s1",HYPYKVIIWHXPAS,BIBJHKLQSA,N,"TG(18:2(9Z,12Z)/16:0/20:2n6)",HYPYKVIIWHXPAS-BIBJHKLQSA-N
HMDB52429,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33,54H,4-15,18,21-24,28,31-32,34-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-/t54-/m0/s1",FPBJHRGEWAYSDO,NWQIFYSBSA,N,"TG(18:2(9Z,12Z)/16:0/20:3n6)",FPBJHRGEWAYSDO-NWQIFYSBSA-N
HMDB52430,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33,38,41,54H,4-15,18,21-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1",YEYUGWXZXBFTOG,SKMUDMFJSA,N,"TG(18:2(9Z,12Z)/16:0/20:4(5Z,8Z,11Z,14Z))",YEYUGWXZXBFTOG-SKMUDMFJSA-N
HMDB52431,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,56H,4-15,18,21-24,28-30,32-55H2,1-3H3/b19-16-,20-17-,27-25-,31-26-/t56-/m0/s1",AWTQNTCJUFKPEC,IQNIQERESA,N,"TG(18:2(9Z,12Z)/16:0/22:2(13Z,16Z))",AWTQNTCJUFKPEC-IQNIQERESA-N
HMDB52432,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35,37,56H,4-15,18,21-24,28,32-34,36,38-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-35-/t56-/m0/s1",UFXXIZYMKJPDCI,HOIMXYBBSA,N,"TG(18:2(9Z,12Z)/16:0/22:4(7Z,10Z,13Z,16Z))",UFXXIZYMKJPDCI-HOIMXYBBSA-N
HMDB52433,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35,37,43,46,56H,4-15,18,21-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m0/s1",WPJFMLLCTINLQF,YNBRBIDDSA,N,"TG(18:2(9Z,12Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",WPJFMLLCTINLQF-YNBRBIDDSA-N
HMDB52435,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,32,35,52H,4-6,8-9,11-15,18,21-24,29-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,35-32-/t52-/m1/s1",OASYCWCQANOWQF,GVKOUBBSSA,N,"TG(18:2(9Z,12Z)/16:0/18:4(6Z,9Z,12Z,15Z))",OASYCWCQANOWQF-GVKOUBBSSA-N
HMDB52436,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33,54H,4-6,8-9,11-15,18,21-24,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-/t54-/m0/s1",KKSUCHDJSYQIQV,QROPBAFESA,N,"TG(18:2(9Z,12Z)/16:0/20:4(8Z,11Z,14Z,17Z))",KKSUCHDJSYQIQV-QROPBAFESA-N
HMDB52440,844.788376449,C55H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,53H,4-16,18-19,21-25,27,29-52H2,1-3H3/b20-17-,28-26-/t53-/m1/s1",VIKVDXAQFBOVAK,VYKDSBQPSA,N,"TG(18:2(9Z,12Z)/16:0/o-18:0)",VIKVDXAQFBOVAK-VYKDSBQPSA-N
HMDB52441,882.767641004,C57H102O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,54H,4-15,18,21-24,27,30-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-",FGNXNKQAEKNDNA,XEUHHCTMSA,N,"TG(18:2(9Z,12Z)/18:0/18:2(9Z,12Z))",FGNXNKQAEKNDNA-XEUHHCTMSA-N
HMDB52442,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,54H,4-15,18,21-24,27,30-33,35-36,38-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-/t54-/m1/s1",RRQQICLGULVDHJ,TUEOCVOPSA,N,"TG(18:2(9Z,12Z)/18:0/18:3(6Z,9Z,12Z))",RRQQICLGULVDHJ-TUEOCVOPSA-N
HMDB52443,910.798941133,C59H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30,56H,4-15,18,21-24,27,29,31-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-/t56-/m0/s1",VNOIGKGOYMPXNH,XTPPRJADSA,N,"TG(18:2(9Z,12Z)/18:0/20:2n6)",VNOIGKGOYMPXNH-XTPPRJADSA-N
HMDB52444,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30,32,34,56H,4-15,18,21-24,27,29,31,33,35-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,34-32-/t56-/m0/s1",GSYJLYWIHTVOIV,IACJSEIESA,N,"TG(18:2(9Z,12Z)/18:0/20:3n6)",GSYJLYWIHTVOIV-IACJSEIESA-N
HMDB52445,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30,32,34,40,43,56H,4-15,18,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1",XZHGETZCNVWCQT,WKEZLHGVSA,N,"TG(18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z))",XZHGETZCNVWCQT-WKEZLHGVSA-N
HMDB52446,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,32,58H,4-15,18,21-24,27,29-31,33-57H2,1-3H3/b19-16-,20-17-,28-25-,32-26-/t58-/m0/s1",RLGAQDGPQYEBLL,XHVXYWQYSA,N,"TG(18:2(9Z,12Z)/18:0/22:2(13Z,16Z))",RLGAQDGPQYEBLL-XHVXYWQYSA-N
HMDB52447,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30-32,36,39,58H,4-15,18,21-24,27,29,33-35,37-38,40-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,39-36-/t58-/m0/s1",OZFOMILDBSYPKM,OHAFHAABSA,N,"TG(18:2(9Z,12Z)/18:0/22:4(7Z,10Z,13Z,16Z))",OZFOMILDBSYPKM-OHAFHAABSA-N
HMDB52448,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30-32,36,39,45,48,58H,4-15,18,21-24,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,48-45-/t58-/m0/s1",VQFFRTHSWHHXOO,HHRYJWIKSA,N,"TG(18:2(9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",VQFFRTHSWHHXOO-HHRYJWIKSA-N
HMDB52450,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34,37,54H,4-6,8-9,11-15,18,21-24,27,30-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-/t54-/m1/s1",TUNNYTHZBWSBQP,FIBKRHIQSA,N,"TG(18:2(9Z,12Z)/18:0/18:4(6Z,9Z,12Z,15Z))",TUNNYTHZBWSBQP-FIBKRHIQSA-N
HMDB52451,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30,32,34,56H,4-6,8-9,11-15,18,21-24,27,29,31,33,35-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,34-32-/t56-/m0/s1",KZGRBDJIWMPCKW,NCGMQTEZSA,N,"TG(18:2(9Z,12Z)/18:0/20:4(8Z,11Z,14Z,17Z))",KZGRBDJIWMPCKW-NCGMQTEZSA-N
HMDB52452,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30,32,34,40,43,56H,4-6,8-9,11-15,18,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1",KVIWACAXKFZFDL,ZZOLXVJXSA,N,"TG(18:2(9Z,12Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",KVIWACAXKFZFDL-ZZOLXVJXSA-N
HMDB52453,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30-32,36,39,58H,4-6,8-9,11-15,18,21-24,27,29,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-/t58-/m0/s1",OYFKPGRHEZACOW,AAIBVUOZSA,N,"TG(18:2(9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",OYFKPGRHEZACOW-AAIBVUOZSA-N
HMDB52455,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,55H,4-16,18-19,21-25,27-28,30-54H2,1-3H3/b20-17-,29-26-/t55-/m1/s1",KWNSJEPUZVZTCA,UHZSMGGVSA,N,"TG(18:2(9Z,12Z)/18:0/o-18:0)",KWNSJEPUZVZTCA-UHZSMGGVSA-N
HMDB52456,910.798941133,C59H106O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,30-31,56H,4-16,19,22-25,28-29,32-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-",NKXZNMOEBXPWJJ,BZPRVNPUSA,N,"TG(18:2(9Z,12Z)/20:0/18:2(9Z,12Z))",NKXZNMOEBXPWJJ-BZPRVNPUSA-N
HMDB52457,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,30-31,36,39,56H,4-16,19,22-25,28-29,32-35,37-38,40-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,39-36-/t56-/m1/s1",GBVPFBKWDGCPQL,ZRKABFKGSA,N,"TG(18:2(9Z,12Z)/20:0/18:3(6Z,9Z,12Z))",GBVPFBKWDGCPQL-ZRKABFKGSA-N
HMDB52458,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,58H,4-15,17,20,22-24,26,29-31,33-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-/t58-/m0/s1",CYKZBIMIYCZCIP,MRTMRHDRSA,N,"TG(18:2(9Z,12Z)/20:0/20:2n6)",CYKZBIMIYCZCIP-MRTMRHDRSA-N
HMDB52459,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,36,58H,4-15,17,20,22-24,26,29-31,34-35,37-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,36-33-/t58-/m0/s1",FADVIBQXXARADP,IVSXHZKRSA,N,"TG(18:2(9Z,12Z)/20:0/20:3n6)",FADVIBQXXARADP-IVSXHZKRSA-N
HMDB52461,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,60H,4-15,17,20,22-24,26,29-33,35-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-/t60-/m0/s1",WUPOLOVISVVRIA,JBYCBOJFSA,N,"TG(18:2(9Z,12Z)/20:0/22:2(13Z,16Z))",WUPOLOVISVVRIA-JBYCBOJFSA-N
HMDB52462,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,41,60H,4-15,17,20,22-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-/t60-/m0/s1",HKRSQYQLQNSHTO,XBEKDICWSA,N,"TG(18:2(9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z))",HKRSQYQLQNSHTO-XBEKDICWSA-N
HMDB52463,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,41,47,50,60H,4-15,17,20,22-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",ITHNLLKZDBLCOY,LUQOUDIXSA,N,"TG(18:2(9Z,12Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",ITHNLLKZDBLCOY-LUQOUDIXSA-N
HMDB52464,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,30-31,56H,4-7,9-10,12-16,19,22-25,28-29,32-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-/t56-/m1/s1",CGQTUCDATHXQJY,WLPTWOSKSA,N,"TG(18:2(9Z,12Z)/20:0/18:3(9Z,12Z,15Z))",CGQTUCDATHXQJY-WLPTWOSKSA-N
HMDB52465,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,30-31,36,39,56H,4-7,9-10,12-16,19,22-25,28-29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-,39-36-/t56-/m1/s1",SWDOVNFEYYGHND,RWGBVZAYSA,N,"TG(18:2(9Z,12Z)/20:0/18:4(6Z,9Z,12Z,15Z))",SWDOVNFEYYGHND-RWGBVZAYSA-N
HMDB52466,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,36,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34-35,37-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,36-33-/t58-/m0/s1",SQQCRTKJNTWMQE,PWWARDRISA,N,"TG(18:2(9Z,12Z)/20:0/20:4(8Z,11Z,14Z,17Z))",SQQCRTKJNTWMQE-PWWARDRISA-N
HMDB52467,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,36,42,45,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,36-33-,45-42-/t58-/m0/s1",ASHKVBOPTDXNQD,QOCSICJJSA,N,"TG(18:2(9Z,12Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",ASHKVBOPTDXNQD-QOCSICJJSA-N
HMDB52468,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,41,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-/t60-/m0/s1",SFLKUNCCBWHTCF,NWUVNAKFSA,N,"TG(18:2(9Z,12Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",SFLKUNCCBWHTCF-NWUVNAKFSA-N
HMDB52469,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",SRVIIJLKVZLBAK,OAQBWKPISA,N,"TG(18:2(9Z,12Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SRVIIJLKVZLBAK-OAQBWKPISA-N
HMDB52470,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,27,31,57H,4-17,19-20,22-26,28-30,32-56H2,1-3H3/b21-18-,31-27-/t57-/m1/s1",XYFSTETYCVWOEN,KLWJSLDDSA,N,"TG(18:2(9Z,12Z)/20:0/o-18:0)",XYFSTETYCVWOEN-KLWJSLDDSA-N
HMDB52471,938.830241262,C61H110O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,32-33,58H,4-16,19,22-25,28-31,34-57H2,1-3H3/b20-17-,21-18-,32-26-,33-27-",CVWPTSPATKBGFJ,FCWOHNRGSA,N,"TG(18:2(9Z,12Z)/22:0/18:2(9Z,12Z))",CVWPTSPATKBGFJ-FCWOHNRGSA-N
HMDB52472,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,32-33,38,41,58H,4-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b20-17-,21-18-,32-26-,33-27-,41-38-/t58-/m1/s1",VEMYBVRYAUXYRW,DHZQEJCYSA,N,"TG(18:2(9Z,12Z)/22:0/18:3(6Z,9Z,12Z))",VEMYBVRYAUXYRW-DHZQEJCYSA-N
HMDB52473,966.861541391,C63H114O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,60H,4-16,19,22-25,28,30-33,35-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-/t60-/m0/s1",ADPNGIWOVLEKOB,PCWKMLBBSA,N,"TG(18:2(9Z,12Z)/22:0/20:2n6)",ADPNGIWOVLEKOB-PCWKMLBBSA-N
HMDB52474,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,38,60H,4-16,19,22-25,28,30-33,36-37,39-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,38-35-/t60-/m0/s1",INDPJVIDKWBQSJ,BCVUUJCASA,N,"TG(18:2(9Z,12Z)/22:0/20:3n6)",INDPJVIDKWBQSJ-BCVUUJCASA-N
HMDB52475,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,38,44,47,60H,4-16,19,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",CBQQNGMIEQUSNE,CBOGNYGUSA,N,"TG(18:2(9Z,12Z)/22:0/20:4(5Z,8Z,11Z,14Z))",CBQQNGMIEQUSNE-CBOGNYGUSA-N
HMDB52476,994.89284152,C65H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,36,62H,4-15,17,20,22-24,26,29-35,37-61H2,1-3H3/b19-16-,21-18-,28-25-,36-27-/t62-/m0/s1",NGPRFYZYTZECRY,YJXHFFSESA,N,"TG(18:2(9Z,12Z)/22:0/22:2(13Z,16Z))",NGPRFYZYTZECRY-YJXHFFSESA-N
HMDB52477,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,40,43,62H,4-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,43-40-/t62-/m0/s1",DBBKEJKHCSTZOS,YYFVXYOLSA,N,"TG(18:2(9Z,12Z)/22:0/22:4(7Z,10Z,13Z,16Z))",DBBKEJKHCSTZOS-YYFVXYOLSA-N
HMDB52478,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,40,43,49,52,62H,4-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",VCSKDTGOGRZQEE,SSDUQLKCSA,N,"TG(18:2(9Z,12Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",VCSKDTGOGRZQEE-SSDUQLKCSA-N
HMDB52479,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,32-33,58H,4-7,9-10,12-16,19,22-25,28-31,34-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-/t58-/m1/s1",FFMVIULZWZSENE,MNJUFXRKSA,N,"TG(18:2(9Z,12Z)/22:0/18:3(9Z,12Z,15Z))",FFMVIULZWZSENE-MNJUFXRKSA-N
HMDB52480,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,32-33,38,41,58H,4-7,9-10,12-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-,41-38-/t58-/m1/s1",CPGNLTDGLQUKCL,QPALBHSNSA,N,"TG(18:2(9Z,12Z)/22:0/18:4(6Z,9Z,12Z,15Z))",CPGNLTDGLQUKCL-QPALBHSNSA-N
HMDB52481,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,38,60H,4-7,9-10,12-16,19,22-25,28,30-33,36-37,39-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,38-35-/t60-/m0/s1",UOQDSEPRWVVBKV,FWKCDYCVSA,N,"TG(18:2(9Z,12Z)/22:0/20:4(8Z,11Z,14Z,17Z))",UOQDSEPRWVVBKV-FWKCDYCVSA-N
HMDB52482,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,38,44,47,60H,4-7,9-10,12-16,19,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",GKIGTBWJKUSTDY,MGVQONRXSA,N,"TG(18:2(9Z,12Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",GKIGTBWJKUSTDY-MGVQONRXSA-N
HMDB52483,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,40,43,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-/t62-/m0/s1",SUDVAPQUSPONJU,YTUFWDGGSA,N,"TG(18:2(9Z,12Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",SUDVAPQUSPONJU-YTUFWDGGSA-N
HMDB52484,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",SVWPUVFSSUBDCL,ORNOGJQNSA,N,"TG(18:2(9Z,12Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SVWPUVFSSUBDCL-ORNOGJQNSA-N
HMDB52485,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,27,33,59H,4-17,19-20,22-26,28-32,34-58H2,1-3H3/b21-18-,33-27-/t59-/m1/s1",PZMSAQJXASOAPE,FMZYJFPSSA,N,"TG(18:2(9Z,12Z)/22:0/o-18:0)",PZMSAQJXASOAPE-FMZYJFPSSA-N
HMDB52486,966.861541391,C63H114O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,34-35,60H,4-16,19,22-25,28-33,36-59H2,1-3H3/b20-17-,21-18-,34-26-,35-27-",WDLBTJHWGYBSCW,ZQQHQYNCSA,N,"TG(18:2(9Z,12Z)/24:0/18:2(9Z,12Z))",WDLBTJHWGYBSCW-ZQQHQYNCSA-N
HMDB52487,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,34-35,40,43,60H,4-16,19,22-25,28-33,36-39,41-42,44-59H2,1-3H3/b20-17-,21-18-,34-26-,35-27-,43-40-/t60-/m1/s1",DYXIHLFAMCSWDP,KSAGRNAESA,N,"TG(18:2(9Z,12Z)/24:0/18:3(6Z,9Z,12Z))",DYXIHLFAMCSWDP-KSAGRNAESA-N
HMDB52488,994.89284152,C65H118O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,62H,4-16,19,22-25,28,30-35,37-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-/t62-/m0/s1",INHIZSAUDAFUGD,PZBJCHTCSA,N,"TG(18:2(9Z,12Z)/24:0/20:2n6)",INHIZSAUDAFUGD-PZBJCHTCSA-N
HMDB52489,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36-37,40,62H,4-16,19,22-25,28,30-35,38-39,41-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,40-37-/t62-/m0/s1",RNGPSPDGZRFFIY,BAGZHDPUSA,N,"TG(18:2(9Z,12Z)/24:0/20:3n6)",RNGPSPDGZRFFIY-BAGZHDPUSA-N
HMDB52490,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36-37,40,46,49,62H,4-16,19,22-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,40-37-,49-46-/t62-/m0/s1",IIUOHDXVIMKUMS,JQAMHZOHSA,N,"TG(18:2(9Z,12Z)/24:0/20:4(5Z,8Z,11Z,14Z))",IIUOHDXVIMKUMS-JQAMHZOHSA-N
HMDB52491,1022.924141648,C67H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,38,64H,4-16,19,22-25,28,30-37,39-63H2,1-3H3/b20-17-,21-18-,29-26-,38-27-/t64-/m0/s1",VDRNGHWALBCXTH,IHJWWRHTSA,N,"TG(18:2(9Z,12Z)/24:0/22:2(13Z,16Z))",VDRNGHWALBCXTH-IHJWWRHTSA-N
HMDB52492,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,38,42,45,64H,4-16,19,22-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b20-17-,21-18-,29-26-,36-34-,38-27-,45-42-/t64-/m0/s1",RZYOSMVRJDFFHR,TVNUKAHZSA,N,"TG(18:2(9Z,12Z)/24:0/22:4(7Z,10Z,13Z,16Z))",RZYOSMVRJDFFHR-TVNUKAHZSA-N
HMDB52493,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,38,42,45,51,54,64H,4-16,19,22-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,54-51-/t64-/m0/s1",UVFSABGQBKTMPG,VFOCWVJPSA,N,"TG(18:2(9Z,12Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",UVFSABGQBKTMPG-VFOCWVJPSA-N
HMDB52494,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,34-35,60H,4-7,9-10,12-16,19,22-25,28-33,36-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-/t60-/m1/s1",PULVRMWMRNJUAS,SOTXLCDASA,N,"TG(18:2(9Z,12Z)/24:0/18:3(9Z,12Z,15Z))",PULVRMWMRNJUAS-SOTXLCDASA-N
HMDB52495,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,34-35,40,43,60H,4-7,9-10,12-16,19,22-25,28-33,36-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,43-40-/t60-/m1/s1",IMMYAYNDFJZVBZ,FKZIQONFSA,N,"TG(18:2(9Z,12Z)/24:0/18:4(6Z,9Z,12Z,15Z))",IMMYAYNDFJZVBZ-FKZIQONFSA-N
HMDB52496,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,40,62H,4-7,9-10,12-16,19,22-25,28,30-35,38-39,41-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,40-37-/t62-/m0/s1",MXACRCDONRCEAZ,PTAZEKITSA,N,"TG(18:2(9Z,12Z)/24:0/20:4(8Z,11Z,14Z,17Z))",MXACRCDONRCEAZ-PTAZEKITSA-N
HMDB52497,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,40,46,49,62H,4-7,9-10,12-16,19,22-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,40-37-,49-46-/t62-/m0/s1",ZMQDVQYEUCOBQX,UNXJWMIMSA,N,"TG(18:2(9Z,12Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZMQDVQYEUCOBQX-UNXJWMIMSA-N
HMDB52498,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,42,45,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-/t64-/m0/s1",OFNGNFLSGDDLSY,QVFJJPPDSA,N,"TG(18:2(9Z,12Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",OFNGNFLSGDDLSY-QVFJJPPDSA-N
HMDB52499,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,42,45,51,54,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,54-51-/t64-/m0/s1",CLFBUUODOSZHLY,TXUFOBCPSA,N,"TG(18:2(9Z,12Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CLFBUUODOSZHLY-TXUFOBCPSA-N
HMDB52500,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,27,35,61H,4-17,19-20,22-26,28-34,36-60H2,1-3H3/b21-18-,35-27-/t61-/m1/s1",HQJZLKIOUYEPDB,RVEZQVEJSA,N,"TG(18:2(9Z,12Z)/24:0/o-18:0)",HQJZLKIOUYEPDB-RVEZQVEJSA-N
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HMDB52502,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,31,33,50H,4-14,21-23,28-30,32,34-49H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,33-31-/t50-/m1/s1",OLGKPWSXIVZCST,MCEVNQRHSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/18:3(6Z,9Z,12Z))",OLGKPWSXIVZCST-MCEVNQRHSA-N
HMDB52503,852.720690811,C55H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28,52H,4-14,21-23,27,29-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-/t52-/m0/s1",JKLVWHFEADJCSE,OKEXGHLUSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/20:2n6)",JKLVWHFEADJCSE-OKEXGHLUSA-N
HMDB52504,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-29,31,52H,4-14,21-23,27,30,32-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m0/s1",BUFVYFPPJMJNLH,SECXNKSSSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/20:3n6)",BUFVYFPPJMJNLH-SECXNKSSSA-N
HMDB52505,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-29,31,36,39,52H,4-14,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1",MKRWUIUFZRZELK,XSWNFREKSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",MKRWUIUFZRZELK-XSWNFREKSA-N
HMDB52506,880.75199094,C57H100O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,30,54H,4-14,21-23,27-29,31-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,30-25-/t54-/m0/s1",SFCNWLSIOSCRMM,DBWLQLOESA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/22:2(13Z,16Z))",SFCNWLSIOSCRMM-DBWLQLOESA-N
HMDB52507,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,36,54H,4-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",CECAFCDLLVHDMP,DUNKDLFUSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",CECAFCDLLVHDMP-DUNKDLFUSA-N
HMDB52508,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,36,41,44,54H,4-14,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m0/s1",AGTIMEIYDATOCU,OFMMWUBGSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AGTIMEIYDATOCU-OFMMWUBGSA-N
HMDB52509,822.673740618,C53H90O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,50H,4-6,8-9,11-14,21-23,28-49H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-/t50-/m1/s1",JFEIKGAWKFBHHM,WBERPJNYSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/18:3(9Z,12Z,15Z))",JFEIKGAWKFBHHM-WBERPJNYSA-N
HMDB52510,820.658090554,C53H88O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,31,33,50H,4-6,8-9,11-14,21-23,28-30,32,34-49H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,33-31-/t50-/m1/s1",AEKXRWPZANUKQE,XZBXNKRXSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",AEKXRWPZANUKQE-XZBXNKRXSA-N
HMDB52511,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,52H,4-6,8-9,11-14,21-23,27,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m0/s1",YXMSOXMWNURSEO,LKGYTFKESA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",YXMSOXMWNURSEO-LKGYTFKESA-N
HMDB52512,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,36,39,52H,4-6,8-9,11-14,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1",YVSXMYVBOPNPAP,FQVLERGVSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YVSXMYVBOPNPAP-FQVLERGVSA-N
HMDB52513,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,33,36,54H,4-6,8-9,11-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1",RQKTUTMCUFGBKE,UBANNNFFSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RQKTUTMCUFGBKE-UBANNNFFSA-N
HMDB52514,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,33,36,41,44,54H,4-6,8-9,11-14,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m0/s1",XQDMWYAHXPYJAP,WHZVWGBXSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XQDMWYAHXPYJAP-WHZVWGBXSA-N
HMDB52515,814.741426256,C53H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,51H,4-14,16,19,21-24,26,28-50H2,1-3H3/b18-15-,20-17-,27-25-/t51-/m1/s1",PPVOUFUHAFQKLU,VIBZLMJOSA,N,"TG(18:2(9Z,12Z)/14:1(9Z)/o-18:0)",PPVOUFUHAFQKLU-VIBZLMJOSA-N
HMDB52516,852.720690811,C55H96O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,52H,4-15,18,22-23,29-51H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-",SFSFPCWGADNGHN,BDMHOKOOSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z))",SFSFPCWGADNGHN-BDMHOKOOSA-N
HMDB52517,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,32,35,52H,4-15,18,22-23,29-31,33-34,36-51H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,35-32-/t52-/m1/s1",MICODZCWWIOOGZ,YYPZIPRSSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/18:3(6Z,9Z,12Z))",MICODZCWWIOOGZ-YYPZIPRSSA-N
HMDB52518,880.75199094,C57H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29,54H,4-15,18,22-23,28,30-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-/t54-/m0/s1",GBKMWLHIRAKLID,VHWXVXHCSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/20:2n6)",GBKMWLHIRAKLID-VHWXVXHCSA-N
HMDB52519,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,33,54H,4-15,18,22-23,28,31-32,34-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,33-30-/t54-/m0/s1",MYZQSLVUCMDLDF,MYPFOZHYSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/20:3n6)",MYZQSLVUCMDLDF-MYPFOZHYSA-N
HMDB52520,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,33,38,41,54H,4-15,18,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1",RPXJXPKCBPIKRT,KOQRRHPSSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",RPXJXPKCBPIKRT-KOQRRHPSSA-N
HMDB52521,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,31,56H,4-15,18,22-23,28-30,32-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,31-26-/t56-/m0/s1",LJCSAAMOAWHFMQ,MANMSMRESA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/22:2(13Z,16Z))",LJCSAAMOAWHFMQ-MANMSMRESA-N
HMDB52522,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-31,35,37,56H,4-15,18,22-23,28,32-34,36,38-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-/t56-/m0/s1",ACCPLVQRCZMIBP,HTUPAELASA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",ACCPLVQRCZMIBP-HTUPAELASA-N
HMDB52523,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-31,35,37,43,46,56H,4-15,18,22-23,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m0/s1",VOHSFNQDFKTLRA,WZGZXERZSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VOHSFNQDFKTLRA-WZGZXERZSA-N
HMDB52524,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,52H,4-6,8-9,11-15,18,22-23,29-51H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-/t52-/m1/s1",MROOKPWWQMTSAG,YFXMEZGCSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",MROOKPWWQMTSAG-YFXMEZGCSA-N
HMDB52525,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,32,35,52H,4-6,8-9,11-15,18,22-23,29-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,35-32-/t52-/m1/s1",OQJUFJXWCZKHMT,JTSCNBPGSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",OQJUFJXWCZKHMT-JTSCNBPGSA-N
HMDB52526,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,33,54H,4-6,8-9,11-15,18,22-23,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-/t54-/m0/s1",GMLDVGARCYPDRS,MLSGFAKPSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",GMLDVGARCYPDRS-MLSGFAKPSA-N
HMDB52527,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,33,38,41,54H,4-6,8-9,11-15,18,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1",VFNPEFYZEZDKCL,GUSRTHKLSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VFNPEFYZEZDKCL-GUSRTHKLSA-N
HMDB52528,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,35,37,56H,4-6,8-9,11-15,18,22-23,28,32-34,36,38-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-/t56-/m0/s1",VIJIYICAPKJAHO,IRZWWWHFSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VIJIYICAPKJAHO-IRZWWWHFSA-N
HMDB52529,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,35,37,43,46,56H,4-6,8-9,11-15,18,22-23,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m0/s1",MKTVKWIGWXIEHG,YJGXQOQOSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MKTVKWIGWXIEHG-YJGXQOQOSA-N
HMDB52530,842.772726384,C55H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,53H,4-16,18-19,22-23,25,27,29-52H2,1-3H3/b20-17-,24-21-,28-26-/t53-/m1/s1",HXJRHBUXUMSJKX,PLBCZWSDSA,N,"TG(18:2(9Z,12Z)/16:1(9Z)/o-18:0)",HXJRHBUXUMSJKX-PLBCZWSDSA-N
HMDB52532,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,34,37,54H,4-15,18,22-23,27,30-33,35-36,38-53H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,37-34-/t54-/m1/s1",SAHNPCOCSFORRQ,TWGUZUOBSA,N,"TG(18:2(9Z,12Z)/18:1(11Z)/18:3(6Z,9Z,12Z))",SAHNPCOCSFORRQ-TWGUZUOBSA-N
HMDB52533,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28,30,56H,4-15,18,22-23,27,29,31-55H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,30-26-/t56-/m0/s1",QYVDSRBHXQDPEP,UUAATWTNSA,N,"TG(18:2(9Z,12Z)/18:1(11Z)/20:2n6)",QYVDSRBHXQDPEP-UUAATWTNSA-N
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HMDB52542,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28,30,32,34,40,43,56H,4-6,8-9,11-15,18,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1",AUPZOIWBYIVTMA,JEAZVAQVSA,N,"TG(18:2(9Z,12Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",AUPZOIWBYIVTMA-JEAZVAQVSA-N
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HMDB52544,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28,30-32,36,39,45,48,58H,4-6,8-9,11-15,18,22-23,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,48-45-/t58-/m0/s1",NRDVYSIZCMNJBW,FXYUBBNPSA,N,"TG(18:2(9Z,12Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NRDVYSIZCMNJBW-FXYUBBNPSA-N
HMDB52545,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,55H,4-16,18-19,22-23,25,27-28,30-54H2,1-3H3/b20-17-,24-21-,29-26-/t55-/m1/s1",YLZZIBPODWNHEY,QIJLKOGJSA,N,"TG(18:2(9Z,12Z)/18:1(11Z)/o-18:0)",YLZZIBPODWNHEY-QIJLKOGJSA-N
HMDB52546,880.75199094,C57H100O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,54H,4-15,18,21-24,31-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-",UDQCIYKUZOQISE,GGDOOUPISA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z))",UDQCIYKUZOQISE-GGDOOUPISA-N
HMDB52548,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-31,56H,4-15,18,21-24,29,32-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-/t56-/m0/s1",XSSVDQWPTCJEQD,BMKPPLNWSA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/20:2n6)",XSSVDQWPTCJEQD-BMKPPLNWSA-N
HMDB52549,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-32,34,56H,4-15,18,21-24,29,33,35-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",BAYJGANIIKHKCP,NARSUOBKSA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/20:3n6)",BAYJGANIIKHKCP-NARSUOBKSA-N
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HMDB52555,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34,37,54H,4-6,8-9,11-15,18,21-24,31-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-/t54-/m1/s1",AXWATUVRQICLRT,RJNFAYDASA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",AXWATUVRQICLRT-RJNFAYDASA-N
HMDB52556,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30-32,34,56H,4-6,8-9,11-15,18,21-24,29,33,35-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",YICHCKHTGILRFD,PGISYDAOSA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",YICHCKHTGILRFD-PGISYDAOSA-N
HMDB52560,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,55H,4-16,18-19,21-25,28,31-54H2,1-3H3/b20-17-,29-26-,30-27-/t55-/m1/s1",POAFQIOHYATMRL,IJDLEHCASA,N,"TG(18:2(9Z,12Z)/18:1(9Z)/o-18:0)",POAFQIOHYATMRL-IJDLEHCASA-N
HMDB52561,908.783291069,C59H104O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,30-31,56H,4-16,19,22-24,29,32-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-",JIJLTNWUVXGZIO,GQMGVLPISA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/18:2(9Z,12Z))",JIJLTNWUVXGZIO-GQMGVLPISA-N
HMDB52562,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,30-31,36,39,56H,4-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",JFHBOBWTZSGBNE,VLIIYHGJSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/18:3(6Z,9Z,12Z))",JFHBOBWTZSGBNE-VLIIYHGJSA-N
HMDB52563,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,58H,4-15,17,20,22-24,30-31,33-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-/t58-/m0/s1",RLICJCDEGQJEKW,XOONLKAVSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/20:2n6)",RLICJCDEGQJEKW-XOONLKAVSA-N
HMDB52564,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-33,36,58H,4-15,17,20,22-24,30-31,34-35,37-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,36-33-/t58-/m0/s1",YPJYYYMELKCMEW,IQNLBMGCSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/20:3n6)",YPJYYYMELKCMEW-IQNLBMGCSA-N
HMDB52566,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34,60H,4-15,17,20,22-24,30-33,35-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-/t60-/m0/s1",UFTFKKKNMJLXFT,DIROXVHGSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/22:2(13Z,16Z))",UFTFKKKNMJLXFT-DIROXVHGSA-N
HMDB52567,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,38,41,60H,4-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",UMYZGEDKBWBFQA,BQJGYZCFSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",UMYZGEDKBWBFQA-BQJGYZCFSA-N
HMDB52568,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",FZVSVPNSNPCVJK,SVPKEUKBSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FZVSVPNSNPCVJK-SVPKEUKBSA-N
HMDB52569,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,30-31,56H,4-7,9-10,12-16,19,22-24,29,32-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1",YDMVFEKLQCYPQD,BMWKCPJHSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",YDMVFEKLQCYPQD-BMWKCPJHSA-N
HMDB52570,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,30-31,36,39,56H,4-7,9-10,12-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",AFRCHWHKUWGLEY,BYCHQMBMSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",AFRCHWHKUWGLEY-BYCHQMBMSA-N
HMDB52571,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-33,36,58H,4-6,8-9,11-15,17,20,22-24,30-31,34-35,37-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-/t58-/m0/s1",CMUFEBUDBYVVTM,WCSOHPMASA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",CMUFEBUDBYVVTM-WCSOHPMASA-N
HMDB52572,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-33,36,42,45,58H,4-6,8-9,11-15,17,20,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m0/s1",PODMZYACVWWVCC,GYHDCSSJSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PODMZYACVWWVCC-GYHDCSSJSA-N
HMDB52573,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,38,41,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",TZEDWJDIOLCDJN,RBJHLLPSSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",TZEDWJDIOLCDJN-RBJHLLPSSA-N
HMDB52574,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",AHTTULMKWLTZHP,BMDPEGLOSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AHTTULMKWLTZHP-BMDPEGLOSA-N
HMDB52575,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31,57H,4-17,19-20,22-24,26,29-30,32-56H2,1-3H3/b21-18-,28-25-,31-27-/t57-/m1/s1",IOUDMYNAOLAWIB,JYDIDCMOSA,N,"TG(18:2(9Z,12Z)/20:1(11Z)/o-18:0)",IOUDMYNAOLAWIB-JYDIDCMOSA-N
HMDB52576,904.75199094,C59H100O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,30-32,35,41,44,56H,4-16,19,22-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,44-41-",SCELYISBORJGSB,YQVXVNSRSA,N,"TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",SCELYISBORJGSB-YQVXVNSRSA-N
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HMDB52579,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-34,36-37,43,46,58H,4-15,17,20,22-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-/t58-/m0/s1",RCUNPFAISKVMTQ,PQUYGCFDSA,N,"TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/20:3n6)",RCUNPFAISKVMTQ-PQUYGCFDSA-N
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HMDB52582,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,36,38-39,41,45,48,60H,4-15,17,20,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-/t60-/m0/s1",GATBTSFSXXAQAW,OEUXJVTFSA,N,"TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",GATBTSFSXXAQAW-OEUXJVTFSA-N
HMDB52583,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-15,17,20,22-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",UGHFVGFGLYJRIY,HUOAFJCPSA,N,"TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UGHFVGFGLYJRIY-HUOAFJCPSA-N
HMDB52584,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,30-32,35,41,44,56H,4-7,9-10,12-16,19,22-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,44-41-/t56-/m1/s1",IXVRPVZOACEKSF,KTGOXWKTSA,N,"TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",IXVRPVZOACEKSF-KTGOXWKTSA-N
HMDB52585,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,30-32,35-36,39,41,44,56H,4-7,9-10,12-16,19,22-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1",DQYDIASSVQDEIU,BRGPTBNDSA,N,"TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",DQYDIASSVQDEIU-BRGPTBNDSA-N
HMDB52586,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-34,36-37,43,46,58H,4-6,8-9,11-15,17,20,22-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-/t58-/m0/s1",ZQKKTFLAGKPLOE,UFYCLNEUSA,N,"TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",ZQKKTFLAGKPLOE-UFYCLNEUSA-N
HMDB52587,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,17,20,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",PKELURWTTHFXKH,HMAITCMVSA,N,"TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PKELURWTTHFXKH-HMAITCMVSA-N
HMDB52588,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,36,38-39,41,45,48,60H,4-6,8-9,11-15,17,20,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-/t60-/m0/s1",HNDHOYSSWMWISN,HWBKHRQFSA,N,"TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HNDHOYSSWMWISN-HWBKHRQFSA-N
HMDB52589,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-6,8-9,11-15,17,20,22-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1",RFXAXHWRVMQUCI,CLXZRIJWSA,N,"TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RFXAXHWRVMQUCI-CLXZRIJWSA-N
HMDB52590,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31-32,35,41,44,57H,4-17,19-20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b21-18-,28-25-,31-27-,35-32-,44-41-/t57-/m1/s1",PFHXLZNTUUZDDZ,VRJULTKJSA,N,"TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/o-18:0)",PFHXLZNTUUZDDZ-VRJULTKJSA-N
HMDB52591,936.814591198,C61H108O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,32-33,58H,4-16,19,22-24,29-31,34-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-",UVWCNBKZYFJJCJ,ROCGWMDASA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/18:2(9Z,12Z))",UVWCNBKZYFJJCJ-ROCGWMDASA-N
HMDB52592,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,32-33,38,41,58H,4-16,19,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-,41-38-/t58-/m1/s1",ZSZMPGIDFNDZKN,PBUZJNLJSA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/18:3(6Z,9Z,12Z))",ZSZMPGIDFNDZKN-PBUZJNLJSA-N
HMDB52593,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,60H,4-16,19,22-24,30-33,35-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-/t60-/m0/s1",ASHDSIZMSUYRGL,VVAYQMRPSA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/20:2n6)",ASHDSIZMSUYRGL-VVAYQMRPSA-N
HMDB52594,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,38,60H,4-16,19,22-24,30-33,36-37,39-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,38-35-/t60-/m0/s1",JWUGOBDQRTWQDM,LOFJDGKISA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/20:3n6)",JWUGOBDQRTWQDM-LOFJDGKISA-N
HMDB52595,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,38,44,47,60H,4-16,19,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",MUOFRJBTDHPASR,YHVRVOQMSA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",MUOFRJBTDHPASR-YHVRVOQMSA-N
HMDB52596,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,36,62H,4-15,17,20,22-24,30-35,37-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,36-27-/t62-/m0/s1",QNAVMZOURGIMKO,ULMNQKHUSA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/22:2(13Z,16Z))",QNAVMZOURGIMKO-ULMNQKHUSA-N
HMDB52597,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,40,43,62H,4-15,17,20,22-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-/t62-/m0/s1",XSBROPHYGLBGII,PDDLPITASA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",XSBROPHYGLBGII-PDDLPITASA-N
HMDB52598,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,40,43,49,52,62H,4-15,17,20,22-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",XJDXHNOTPZODFP,ZKVVGVDQSA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XJDXHNOTPZODFP-ZKVVGVDQSA-N
HMDB52599,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,32-33,58H,4-7,9-10,12-16,19,22-24,29-31,34-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-/t58-/m1/s1",HQTOJCKYIBQMPD,ZPTLZCNXSA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",HQTOJCKYIBQMPD-ZPTLZCNXSA-N
HMDB52600,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,32-33,38,41,58H,4-7,9-10,12-16,19,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-/t58-/m1/s1",XLDDUXUZWIJMNR,JZIIIXNTSA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",XLDDUXUZWIJMNR-JZIIIXNTSA-N
HMDB52601,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34-35,38,60H,4-7,9-10,12-16,19,22-24,30-33,36-37,39-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-/t60-/m0/s1",NVNRQKIFQIJXIZ,VMEMFWNWSA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",NVNRQKIFQIJXIZ-VMEMFWNWSA-N
HMDB52602,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34-35,38,44,47,60H,4-7,9-10,12-16,19,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",QNNMKCWGRUYNED,MSOVQMLESA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QNNMKCWGRUYNED-MSOVQMLESA-N
HMDB52603,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32,34,36,40,43,62H,4-6,8-9,11-15,17,20,22-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-/t62-/m0/s1",XYKAXTLPJNYJET,WEPKZNNYSA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XYKAXTLPJNYJET-WEPKZNNYSA-N
HMDB52604,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,17,20,22-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",ZVLKAKLWFBAULB,RZIIBQDMSA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZVLKAKLWFBAULB-RZIIBQDMSA-N
HMDB52605,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,33,59H,4-17,19-20,22-24,26,29-32,34-58H2,1-3H3/b21-18-,28-25-,33-27-/t59-/m1/s1",IRNARDRWANMWOS,KMJYMJAJSA,N,"TG(18:2(9Z,12Z)/22:1(13Z)/o-18:0)",IRNARDRWANMWOS-KMJYMJAJSA-N
HMDB52606,964.845891326,C63H112O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,34-35,60H,4-16,19,22-24,29-33,36-59H2,1-3H3/b20-17-,21-18-,28-25-,34-26-,35-27-",POKWAFRJAZNFSU,NWOKJHHTSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/18:2(9Z,12Z))",POKWAFRJAZNFSU-NWOKJHHTSA-N
HMDB52607,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,34-35,40,43,60H,4-16,19,22-24,29-33,36-39,41-42,44-59H2,1-3H3/b20-17-,21-18-,28-25-,34-26-,35-27-,43-40-/t60-/m1/s1",GUXKXSATTNLTNC,ORGOULGJSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/18:3(6Z,9Z,12Z))",GUXKXSATTNLTNC-ORGOULGJSA-N
HMDB52608,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,62H,4-16,19,22-24,30-35,37-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-/t62-/m0/s1",HGRPIXXVZBXJNI,XDUPOYFFSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/20:2n6)",HGRPIXXVZBXJNI-XDUPOYFFSA-N
HMDB52609,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36-37,40,62H,4-16,19,22-24,30-35,38-39,41-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,40-37-/t62-/m0/s1",YTFMBNVALPGNBT,LARZTOBKSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/20:3n6)",YTFMBNVALPGNBT-LARZTOBKSA-N
HMDB52610,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36-37,40,46,49,62H,4-16,19,22-24,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,49-46-/t62-/m0/s1",IXPHBJLMSYLTPA,YSMFDXNESA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",IXPHBJLMSYLTPA-YSMFDXNESA-N
HMDB52611,1020.908491584,C67H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,38,64H,4-16,19,22-24,30-37,39-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,38-27-/t64-/m0/s1",APBYTWVFKLYCRG,ZPJSWEAVSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/22:2(13Z,16Z))",APBYTWVFKLYCRG-ZPJSWEAVSA-N
HMDB52612,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,42,45,64H,4-16,19,22-24,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-/t64-/m0/s1",YSECHFALBRTBDJ,ANYVDOIQSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",YSECHFALBRTBDJ-ANYVDOIQSA-N
HMDB52613,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,42,45,51,54,64H,4-16,19,22-24,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,54-51-/t64-/m0/s1",HIIJCXRNVVKMQP,RAMTYFCFSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HIIJCXRNVVKMQP-RAMTYFCFSA-N
HMDB52614,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,34-35,60H,4-7,9-10,12-16,19,22-24,29-33,36-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-/t60-/m1/s1",YLZNOVLTDCHRND,ZGCCQQRHSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",YLZNOVLTDCHRND-ZGCCQQRHSA-N
HMDB52615,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,34-35,40,43,60H,4-7,9-10,12-16,19,22-24,29-33,36-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-/t60-/m1/s1",RIWFGRMEFBFBMM,VFDICLCBSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",RIWFGRMEFBFBMM-VFDICLCBSA-N
HMDB52616,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36-37,40,62H,4-7,9-10,12-16,19,22-24,30-35,38-39,41-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-/t62-/m0/s1",WVINNQKCGCVIFF,WRSKUTCOSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",WVINNQKCGCVIFF-WRSKUTCOSA-N
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HMDB52619,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,38,42,45,51,54,64H,4-7,9-10,12-16,19,22-24,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,54-51-/t64-/m0/s1",BYKVBBGLHRHBDR,PMTJUDAWSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BYKVBBGLHRHBDR-PMTJUDAWSA-N
HMDB52620,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,35,61H,4-17,19-20,22-24,26,29-34,36-60H2,1-3H3/b21-18-,28-25-,35-27-/t61-/m1/s1",JECSEZDUELWFJD,NEPMHRMMSA,N,"TG(18:2(9Z,12Z)/24:1(15Z)/o-18:0)",JECSEZDUELWFJD-NEPMHRMMSA-N
HMDB52623,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-31,56H,4-15,22-24,29,32-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m0/s1",ZTNDRFCABXFVMY,WTJZZRNGSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:2n6)",ZTNDRFCABXFVMY-WTJZZRNGSA-N
HMDB52624,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-32,34,56H,4-15,22-24,29,33,35-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",DODZUDCYRVWEOJ,PUBDBSOHSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:3n6)",DODZUDCYRVWEOJ-PUBDBSOHSA-N
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HMDB52628,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-33,36,39,45,48,58H,4-15,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m0/s1",HLRWWTQTODTMAI,HDWBFQNWSA,N,"TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HLRWWTQTODTMAI-HDWBFQNWSA-N
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HMDB52652,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-21,25-28,30-31,36,39,56H,4-15,22-24,29,32-35,37-38,40-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",AYCJOMCRKOLDLC,OCVCILAESA,N,"TG(18:2(9Z,12Z)/20:2n6/18:3(6Z,9Z,12Z))",AYCJOMCRKOLDLC-OCVCILAESA-N
HMDB52653,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,58H,4-15,22-24,30-31,33-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-/t58-/m0/s1",XMLZNVLFMPANNB,QBYCEURNSA,N,"TG(18:2(9Z,12Z)/20:2n6/20:2n6)",XMLZNVLFMPANNB-QBYCEURNSA-N
HMDB52654,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-33,36,58H,4-15,22-24,30-31,34-35,37-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-/t58-/m0/s1",SUVVKXPFFGMFIE,HKGYCQGTSA,N,"TG(18:2(9Z,12Z)/20:2n6/20:3n6)",SUVVKXPFFGMFIE-HKGYCQGTSA-N
HMDB52655,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-33,36,42,45,58H,4-15,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m0/s1",PBGRPUACOIINML,QNNYZSEUSA,N,"TG(18:2(9Z,12Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))",PBGRPUACOIINML-QNNYZSEUSA-N
HMDB52656,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,34,60H,4-15,22-24,30-33,35-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-27-/t60-/m0/s1",JJVQIAHLUNUXIN,UDMNNMADSA,N,"TG(18:2(9Z,12Z)/20:2n6/22:2(13Z,16Z))",JJVQIAHLUNUXIN-UDMNNMADSA-N
HMDB52657,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,38,41,60H,4-15,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",WMCZIAXAQXLFKB,OACMGENOSA,N,"TG(18:2(9Z,12Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))",WMCZIAXAQXLFKB-OACMGENOSA-N
HMDB52658,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,38,41,47,50,60H,4-15,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",VTKNVVRESNLLGP,STEKBIBLSA,N,"TG(18:2(9Z,12Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",VTKNVVRESNLLGP-STEKBIBLSA-N
HMDB52659,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-31,56H,4-7,9-10,12-15,22-24,29,32-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1",RKOZLOWGOQMPBZ,BEFYLBTPSA,N,"TG(18:2(9Z,12Z)/20:2n6/18:3(9Z,12Z,15Z))",RKOZLOWGOQMPBZ-BEFYLBTPSA-N
HMDB52660,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-31,36,39,56H,4-7,9-10,12-15,22-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",HADTZIVNLAXDLL,QABYXOFKSA,N,"TG(18:2(9Z,12Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))",HADTZIVNLAXDLL-QABYXOFKSA-N
HMDB52661,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-33,36,58H,4-6,8-9,11-15,22-24,30-31,34-35,37-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-/t58-/m0/s1",YXICISIPIPXHAK,KKQPDRCJSA,N,"TG(18:2(9Z,12Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))",YXICISIPIPXHAK-KKQPDRCJSA-N
HMDB52662,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-33,36,42,45,58H,4-6,8-9,11-15,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m0/s1",QFZYCHLYKZEXEE,JZLIDSQNSA,N,"TG(18:2(9Z,12Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",QFZYCHLYKZEXEE-JZLIDSQNSA-N
HMDB52663,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,38,41,60H,4-6,8-9,11-15,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",BETJPUOQASBYOQ,AHGFPKGFSA,N,"TG(18:2(9Z,12Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",BETJPUOQASBYOQ-AHGFPKGFSA-N
HMDB52664,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",BXLCYHMCRNPYDN,CQALYHPNSA,N,"TG(18:2(9Z,12Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BXLCYHMCRNPYDN-CQALYHPNSA-N
HMDB52665,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31,57H,4-15,17,20,22-24,26,29-30,32-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-/t57-/m1/s1",BLYSYTNWJZPYST,HVEMZQNPSA,N,"TG(18:2(9Z,12Z)/20:2n6/o-18:0)",BLYSYTNWJZPYST-HVEMZQNPSA-N
HMDB52666,904.75199094,C59H100O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-21,25-28,30-32,35,56H,4-15,22-24,29,33-34,36-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-",ZBIJTIKZQVXGBO,HYSOFQPLSA,N,"TG(18:2(9Z,12Z)/20:3n6/18:2(9Z,12Z))",ZBIJTIKZQVXGBO-HYSOFQPLSA-N
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HMDB52668,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,34,37,58H,4-15,22-24,30-31,33,35-36,38-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-/t58-/m0/s1",OLZYMKJPJQBFOH,FKKVRBEBSA,N,"TG(18:2(9Z,12Z)/20:3n6/20:2n6)",OLZYMKJPJQBFOH-FKKVRBEBSA-N
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HMDB52671,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,34,36,39,60H,4-15,22-24,30-33,35,37-38,40-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-/t60-/m0/s1",WQBZYMMBTPSKQF,YEMNGKLTSA,N,"TG(18:2(9Z,12Z)/20:3n6/22:2(13Z,16Z))",WQBZYMMBTPSKQF-YEMNGKLTSA-N
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HMDB52673,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,36,38-39,41,47,50,60H,4-15,22-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-/t60-/m0/s1",HIXJBODFVNVVOZ,PXZFTKGBSA,N,"TG(18:2(9Z,12Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",HIXJBODFVNVVOZ-PXZFTKGBSA-N
HMDB52674,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-32,35,56H,4-7,9-10,12-15,22-24,29,33-34,36-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-/t56-/m1/s1",YCKTYPBVFMFGSG,SUPGSZPZSA,N,"TG(18:2(9Z,12Z)/20:3n6/18:3(9Z,12Z,15Z))",YCKTYPBVFMFGSG-SUPGSZPZSA-N
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HMDB52676,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-34,36-37,58H,4-6,8-9,11-15,22-24,30-31,35,38-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-/t58-/m0/s1",NZLSEIHCFXMDBE,NNEHZSTBSA,N,"TG(18:2(9Z,12Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))",NZLSEIHCFXMDBE-NNEHZSTBSA-N
HMDB52677,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-34,36-37,42,45,58H,4-6,8-9,11-15,22-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-/t58-/m0/s1",KYQZFQLEWVLKCI,LBWUSHKOSA,N,"TG(18:2(9Z,12Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",KYQZFQLEWVLKCI-LBWUSHKOSA-N
HMDB52678,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,36,38-39,41,60H,4-6,8-9,11-15,22-24,30,32,35,37,40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-/t60-/m0/s1",WFZRDLLUISIIIZ,LKANHXBSSA,N,"TG(18:2(9Z,12Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",WFZRDLLUISIIIZ-LKANHXBSSA-N
HMDB52679,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,36,38-39,41,47,50,60H,4-6,8-9,11-15,22-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-/t60-/m0/s1",SDLBWDJXBOAFEM,GLVRBGDRSA,N,"TG(18:2(9Z,12Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SDLBWDJXBOAFEM-GLVRBGDRSA-N
HMDB52680,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,35,57H,4-15,17,20,22-24,26,29-30,33-34,36-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,35-32-/t57-/m1/s1",IZNDSTRZBJEYQJ,IVPIFYFESA,N,"TG(18:2(9Z,12Z)/20:3n6/o-18:0)",IZNDSTRZBJEYQJ-IVPIFYFESA-N
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HMDB52702,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,34,36,40,43,62H,4-15,22-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-/t62-/m0/s1",SBLITVDRDKTCHK,UQVUBQGJSA,N,"TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",SBLITVDRDKTCHK-UQVUBQGJSA-N
HMDB52703,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,34,36,40,43,49,52,62H,4-15,22-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",JSJSKXONDQXWKP,RUPTZSTASA,N,"TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JSJSKXONDQXWKP-RUPTZSTASA-N
HMDB52704,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,32-33,58H,4-7,9-10,12-15,22-24,29-31,34-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-/t58-/m1/s1",NOBIKXVRJUISPR,ZYZWENAUSA,N,"TG(18:2(9Z,12Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",NOBIKXVRJUISPR-ZYZWENAUSA-N
HMDB52705,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,32-33,38,41,58H,4-7,9-10,12-15,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-/t58-/m1/s1",NZPVPYJZCJXUCQ,DHWDDVAPSA,N,"TG(18:2(9Z,12Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",NZPVPYJZCJXUCQ-DHWDDVAPSA-N
HMDB52706,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34-35,38,60H,4-7,9-10,12-15,22-24,30-33,36-37,39-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-/t60-/m0/s1",JBDJDXZTHMTVDR,ZTFOUFTDSA,N,"TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",JBDJDXZTHMTVDR-ZTFOUFTDSA-N
HMDB52707,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34-35,38,44,47,60H,4-7,9-10,12-15,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",CDFSSVIAZNGTBZ,WJCALSCWSA,N,"TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CDFSSVIAZNGTBZ-WJCALSCWSA-N
HMDB52708,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32,34,36,40,43,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-/t62-/m0/s1",URCMQROZLAYMCN,CNQXHKJHSA,N,"TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",URCMQROZLAYMCN-CNQXHKJHSA-N
HMDB52709,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",OXHHTPCOKZQLRM,FBRQDKPDSA,N,"TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OXHHTPCOKZQLRM-FBRQDKPDSA-N
HMDB52710,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,33,59H,4-15,17,20,22-24,26,29-32,34-58H2,1-3H3/b19-16-,21-18-,28-25-,33-27-/t59-/m1/s1",NFFVNPZNLYTNDK,IFRPMBHZSA,N,"TG(18:2(9Z,12Z)/22:2(13Z,16Z)/o-18:0)",NFFVNPZNLYTNDK-IFRPMBHZSA-N
HMDB52711,930.767641004,C61H102O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-21,25-28,30-33,37,40,58H,4-15,22-24,29,34-36,38-39,41-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-",GBTQXXOKXCDWFP,GOTYONLXSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",GBTQXXOKXCDWFP-GOTYONLXSA-N
HMDB52712,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-21,25-28,30-33,37-38,40-41,58H,4-15,22-24,29,34-36,39,42-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-/t58-/m1/s1",QJDJTBSUJSJMFP,DAPAVGAWSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",QJDJTBSUJSJMFP-DAPAVGAWSA-N
HMDB52713,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,39,42,60H,4-15,22-24,30,32,35-38,40-41,43-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-/t60-/m0/s1",DXAZBFYXLZYUIG,JFMYEQNVSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)",DXAZBFYXLZYUIG-JFMYEQNVSA-N
HMDB52714,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,38-39,42,60H,4-15,22-24,30,32,36-37,40-41,43-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-/t60-/m0/s1",HXTSHFBTAPQXOE,HNEIMKDNSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)",HXTSHFBTAPQXOE-HNEIMKDNSA-N
HMDB52715,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,38-39,42,44,47,60H,4-15,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-/t60-/m0/s1",JWYJCPQICGZVHS,VUMBVEJGSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",JWYJCPQICGZVHS-VUMBVEJGSA-N
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HMDB52717,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40-41,43-44,62H,4-15,22-24,30-31,37-39,42,45-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-/t62-/m0/s1",ZBAGQQLVFIXOIS,KBSHSQESSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",ZBAGQQLVFIXOIS-KBSHSQESSA-N
HMDB52718,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40-41,43-44,49,52,62H,4-15,22-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-/t62-/m0/s1",HFGHKKLRXFEOCY,HLCHVEAISA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HFGHKKLRXFEOCY-HLCHVEAISA-N
HMDB52719,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-33,37,40,58H,4-7,9-10,12-15,22-24,29,34-36,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-/t58-/m1/s1",DMZJRVFYSXEUKR,LJSFJTMQSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",DMZJRVFYSXEUKR-LJSFJTMQSA-N
HMDB52720,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-33,37-38,40-41,58H,4-7,9-10,12-15,22-24,29,34-36,39,42-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-/t58-/m1/s1",AIDWUELWTSVTRO,XBJBQETHSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",AIDWUELWTSVTRO-XBJBQETHSA-N
HMDB52721,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,38-39,42,60H,4-7,9-10,12-15,22-24,30,32,36-37,40-41,43-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-/t60-/m0/s1",VQRIXOHBVKMVEL,RIGGWWEUSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",VQRIXOHBVKMVEL-RIGGWWEUSA-N
HMDB52722,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,38-39,42,44,47,60H,4-7,9-10,12-15,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-/t60-/m0/s1",BLKBAXUTLWGPPO,ZAKINQADSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",BLKBAXUTLWGPPO-ZAKINQADSA-N
HMDB52723,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40-41,43-44,62H,4-6,8-9,11-15,22-24,30-31,37-39,42,45-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-/t62-/m0/s1",AAAULIDICJVAGC,XUJQSNPTSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AAAULIDICJVAGC-XUJQSNPTSA-N
HMDB52724,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40-41,43-44,49,52,62H,4-6,8-9,11-15,22-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-/t62-/m0/s1",JQULTLMUUUQRFY,MSGRFAKHSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JQULTLMUUUQRFY-MSGRFAKHSA-N
HMDB52725,920.819676578,C61H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,37,40,59H,4-15,17,20,22-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,40-37-/t59-/m1/s1",WBBWHLYLCZJYHQ,XZAIBTLZSA,N,"TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)",WBBWHLYLCZJYHQ-XZAIBTLZSA-N
HMDB52726,928.75199094,C61H100O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-21,25-28,30-33,37,40,46,49,58H,4-15,22-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-",VIZOWNORTLUJFJ,KSAKKXOZSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",VIZOWNORTLUJFJ-KSAKKXOZSA-N
HMDB52727,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-21,25-28,30-33,37-38,40-41,46,49,58H,4-15,22-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-/t58-/m1/s1",NTZNCVGKQCFWBG,GYAPIRQPSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",NTZNCVGKQCFWBG-GYAPIRQPSA-N
HMDB52728,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,39,42,48,51,60H,4-15,22-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-/t60-/m0/s1",BALVTBGXOJRZCI,CXFVYVHHSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",BALVTBGXOJRZCI-CXFVYVHHSA-N
HMDB52729,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,38-39,42,48,51,60H,4-15,22-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-/t60-/m0/s1",ODUNWMBZVDPITO,MHLLNTSPSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",ODUNWMBZVDPITO-MHLLNTSPSA-N
HMDB52730,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-15,22-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",RMEHQMVZPZYKQO,BVEADQKWSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",RMEHQMVZPZYKQO-BVEADQKWSA-N
HMDB52731,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,33,35-36,41,44,50,53,62H,4-15,22-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m0/s1",YKGSBTJPQWWVGK,BAARUOKQSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",YKGSBTJPQWWVGK-BAARUOKQSA-N
HMDB52732,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40-41,43-44,50,53,62H,4-15,22-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-/t62-/m0/s1",FOEXFNVACTZKNE,GUUHLKGBSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",FOEXFNVACTZKNE-GUUHLKGBSA-N
HMDB52733,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-15,22-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",BRYGUDCZVRWORF,SMAOGHHYSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BRYGUDCZVRWORF-SMAOGHHYSA-N
HMDB52734,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-33,37,40,46,49,58H,4-7,9-10,12-15,22-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-/t58-/m1/s1",BVSLCLDNNLDAGM,KBTYNODWSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",BVSLCLDNNLDAGM-KBTYNODWSA-N
HMDB52735,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-33,37-38,40-41,46,49,58H,4-7,9-10,12-15,22-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-/t58-/m1/s1",MLBJZKVMDIHXDL,JHMIHWFYSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",MLBJZKVMDIHXDL-JHMIHWFYSA-N
HMDB52736,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,38-39,42,48,51,60H,4-7,9-10,12-15,22-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-/t60-/m0/s1",IIYFPBRRSIIIPT,JGKKVPGYSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",IIYFPBRRSIIIPT-JGKKVPGYSA-N
HMDB52737,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-7,9-10,12-15,22-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",ASSNFQPNBYUAKG,WHGSHVLFSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ASSNFQPNBYUAKG-WHGSHVLFSA-N
HMDB52738,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40-41,43-44,50,53,62H,4-6,8-9,11-15,22-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-/t62-/m0/s1",OGDZZJXPNSIRGH,GAFNMQDWSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OGDZZJXPNSIRGH-GAFNMQDWSA-N
HMDB52739,976.75199094,C65H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-6,8-9,11-15,22-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",MORRKBVQDCCUAG,IKCQZWMWSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MORRKBVQDCCUAG-IKCQZWMWSA-N
HMDB52740,918.804026513,C61H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,37,40,46,49,59H,4-15,17,20,22-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,49-46-/t59-/m1/s1",RJMAMICLTQPYNT,ICXMSWHSSA,N,"TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",RJMAMICLTQPYNT-ICXMSWHSSA-N
HMDB52741,876.720690811,C57H96O6,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,54H,4-8,10-11,13-15,22-24,31-53H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-",CIAAKPZZTJSDDL,JYDDNMGWSA,N,"TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",CIAAKPZZTJSDDL-JYDDNMGWSA-N
HMDB52742,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,37,54H,4-8,10-11,13-15,22-24,31-33,35-36,38-53H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-/t54-/m1/s1",VNZWDLALCLVXCS,HBUYFXBRSA,N,"TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",VNZWDLALCLVXCS-HBUYFXBRSA-N
HMDB52743,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-31,56H,4-8,10-11,13-15,22-24,29,32-55H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m0/s1",VFZYOONTXODFBG,NXBJZMKJSA,N,"TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:2n6)",VFZYOONTXODFBG-NXBJZMKJSA-N
HMDB52744,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-32,34,56H,4-8,10-11,13-15,22-24,29,33,35-55H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",ZHDXYWJAJTUCBM,XMPXAFAJSA,N,"TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:3n6)",ZHDXYWJAJTUCBM-XMPXAFAJSA-N
HMDB52745,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-32,34,40,43,56H,4-8,10-11,13-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1",ODXHCQRPIURWTJ,SYMABFAFSA,N,"TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",ODXHCQRPIURWTJ-SYMABFAFSA-N
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HMDB52758,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-31,38,41,56H,4-8,10-11,13-15,22-24,29,32-37,39-40,42-55H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,41-38-/t56-/m0/s1",LFPXLEMUPLSSRX,CTUVYTFOSA,N,"TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)",LFPXLEMUPLSSRX-CTUVYTFOSA-N
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HMDB52769,922.705040747,C61H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-33,36,39-40,43,45,48,58H,4-6,8,11,13-15,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-/t58-/m0/s1",UYCDWUDKTDWXHB,IBGIZSIESA,N,"TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UYCDWUDKTDWXHB-IBGIZSIESA-N
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HMDB52787,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-28,30-32,35-36,39,41,44,56H,4-6,8-9,11-15,22-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1",ZSRFVPHDKOXVSL,VIWOXEJPSA,N,"TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",ZSRFVPHDKOXVSL-VIWOXEJPSA-N
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HMDB52789,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-34,36-37,43,46,58H,4-7,9-10,12-15,22-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-/t58-/m0/s1",KUGOCNPDTNPPON,QHOKJGLLSA,N,"TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)",KUGOCNPDTNPPON-QHOKJGLLSA-N
HMDB52790,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-34,36-37,42-43,45-46,58H,4-7,9-10,12-15,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1",PVHFYEKHFWFLFZ,GNAZAWJWSA,N,"TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))",PVHFYEKHFWFLFZ-GNAZAWJWSA-N
HMDB52791,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34,36,39,45,48,60H,4-7,9-10,12-15,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m0/s1",QRAYXPKVQDNMMF,RXFZUINTSA,N,"TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",QRAYXPKVQDNMMF-RXFZUINTSA-N
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HMDB52804,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,38-39,42,60H,4-6,8-9,11-15,22-24,30,32,36-37,40-41,43-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-/t60-/m0/s1",OXKWYVLMELYMCF,ZXXOVAKXSA,N,"TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",OXKWYVLMELYMCF-ZXXOVAKXSA-N
HMDB52805,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,38-39,42,44,47,60H,4-6,8-9,11-15,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-/t60-/m0/s1",VCJKYSQWTHINNE,HOHFJALFSA,N,"TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",VCJKYSQWTHINNE-HOHFJALFSA-N
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HMDB52810,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-28,30-33,37-38,40-41,58H,4-6,9,12-15,22-24,29,34-36,39,42-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-/t58-/m1/s1",VQFIBNGFXJMOBY,MOJBHEKUSA,N,"TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",VQFIBNGFXJMOBY-MOJBHEKUSA-N
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HMDB52812,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,38-39,42,44,47,60H,4-6,9,12-15,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-/t60-/m0/s1",ZCMPKDCLFXUFKR,XPOXTRJUSA,N,"TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZCMPKDCLFXUFKR-XPOXTRJUSA-N
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HMDB52817,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-28,30-33,37-38,40-41,46,49,58H,4-6,8-9,11-15,22-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-/t58-/m1/s1",SPIMEOJTVCAROF,NMQLLDOMSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",SPIMEOJTVCAROF-NMQLLDOMSA-N
HMDB52818,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,39,42,48,51,60H,4-6,8-9,11-15,22-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-/t60-/m0/s1",BSMCSPHFOOHCPJ,RUVWZCFUSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",BSMCSPHFOOHCPJ-RUVWZCFUSA-N
HMDB52819,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,38-39,42,48,51,60H,4-6,8-9,11-15,22-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-/t60-/m0/s1",GYRBUPBXSBUDIS,ZWPGWIBOSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)",GYRBUPBXSBUDIS-ZWPGWIBOSA-N
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HMDB52822,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-36,40-41,43-44,50,53,62H,4-7,9-10,12-15,22-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-/t62-/m0/s1",OMPXEBMHVBYGHO,SNKIBGNKSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",OMPXEBMHVBYGHO-SNKIBGNKSA-N
HMDB52823,976.75199094,C65H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-7,9-10,12-15,22-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",VSVPMUHPOFOMTE,WYRXULJNSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VSVPMUHPOFOMTE-WYRXULJNSA-N
HMDB52824,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-28,30-33,37,40,46,49,58H,4-6,9,12-15,22-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-/t58-/m1/s1",ZWAGVJRENVHFMW,MEGUQTQMSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",ZWAGVJRENVHFMW-MEGUQTQMSA-N
HMDB52825,922.705040747,C61H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-28,30-33,37-38,40-41,46,49,58H,4-6,9,12-15,22-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-/t58-/m1/s1",KHZKNJQRNASWBG,FILMJQPRSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",KHZKNJQRNASWBG-FILMJQPRSA-N
HMDB52826,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,38-39,42,48,51,60H,4-6,9,12-15,22-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-/t60-/m0/s1",BVMQBBCCPGXOEH,OOCSNZRLSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",BVMQBBCCPGXOEH-OOCSNZRLSA-N
HMDB52827,948.720690811,C63H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-6,9,12-15,22-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1",SYULHXPAOLMHEO,MPGRLDIZSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SYULHXPAOLMHEO-MPGRLDIZSA-N
HMDB52828,976.75199094,C65H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,40-41,43-44,50,53,62H,4-6,9,12-15,22-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-/t62-/m0/s1",RBFFADLAIHOKCA,MWWLGLJDSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RBFFADLAIHOKCA-MWWLGLJDSA-N
HMDB52829,974.736340876,C65H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-6,9,12-15,22-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-/t62-/m0/s1",NVRVRYSEUZDNFH,TZSIVWBQSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NVRVRYSEUZDNFH-TZSIVWBQSA-N
HMDB52830,916.788376449,C61H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,40,46,49,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,49-46-/t59-/m1/s1",CXLPEBTXBZGCNW,KHRLDHHPSA,N,"TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",CXLPEBTXBZGCNW-KHRLDHHPSA-N
HMDB52831,868.788376449,C57H104O5,[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,55H,4-16,19,22-25,28,31-54H2,1-3H3/b20-17-,21-18-,29-26-,30-27-",GBRPETNWPCBFTJ,FTHRAJORSA,N,"TG(18:2(9Z,12Z)/o-18:0/18:2(9Z,12Z))",GBRPETNWPCBFTJ-FTHRAJORSA-N
HMDB52832,866.772726384,C57H102O5,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,35,38,55H,4-16,19,22-25,28,31-34,36-37,39-54H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-/t55-/m1/s1",PARQILSYFLMAIN,YIXXUQDESA,N,"TG(18:2(9Z,12Z)/o-18:0/18:3(6Z,9Z,12Z))",PARQILSYFLMAIN-YIXXUQDESA-N
HMDB52833,896.819676578,C59H108O5,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31,57H,4-15,17,20,22-24,26,29-30,32-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-/t57-/m0/s1",UTIFSPJRNPHGPX,LQFVOVMRSA,N,"TG(18:2(9Z,12Z)/o-18:0/20:2n6)",UTIFSPJRNPHGPX-LQFVOVMRSA-N
HMDB52834,894.804026513,C59H106O5,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,35,57H,4-15,17,20,22-24,26,29-30,33-34,36-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,35-32-/t57-/m0/s1",NEEOYGGKUSCXRI,FVLNHHCCSA,N,"TG(18:2(9Z,12Z)/o-18:0/20:3n6)",NEEOYGGKUSCXRI-FVLNHHCCSA-N
HMDB52835,892.788376449,C59H104O5,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,35,41,44,57H,4-15,17,20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,35-32-,44-41-/t57-/m0/s1",XFBYREQNKZYPGX,KTFCGARUSA,N,"TG(18:2(9Z,12Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))",XFBYREQNKZYPGX-KTFCGARUSA-N
HMDB52836,924.850976706,C61H112O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,33,59H,4-15,17,20,22-24,26,29-32,34-58H2,1-3H3/b19-16-,21-18-,28-25-,33-27-/t59-/m0/s1",SCCCMTCYXQXNLK,KFPLGILTSA,N,"TG(18:2(9Z,12Z)/o-18:0/22:2(13Z,16Z))",SCCCMTCYXQXNLK-KFPLGILTSA-N
HMDB52837,920.819676578,C61H108O5,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,37,40,59H,4-15,17,20,22-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,40-37-/t59-/m0/s1",ZIYVOXRHMBFWSJ,KUAKRSPBSA,N,"TG(18:2(9Z,12Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))",ZIYVOXRHMBFWSJ-KUAKRSPBSA-N
HMDB52838,918.804026513,C61H106O5,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,37,40,46,49,59H,4-15,17,20,22-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,49-46-/t59-/m0/s1",LSXVQSMGPPWMND,CSHNOZNZSA,N,"TG(18:2(9Z,12Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",LSXVQSMGPPWMND-CSHNOZNZSA-N
HMDB52839,866.772726384,C57H102O5,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,55H,4-7,9-10,12-16,19,22-25,28,31-54H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-/t55-/m1/s1",ODALSWIZSGWUHZ,MOXJRXQISA,N,"TG(18:2(9Z,12Z)/o-18:0/18:3(9Z,12Z,15Z))",ODALSWIZSGWUHZ-MOXJRXQISA-N
HMDB52840,864.75707632,C57H100O5,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,35,38,55H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-/t55-/m1/s1",FRZYQPUCDOUSCF,YFCLSCSWSA,N,"TG(18:2(9Z,12Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",FRZYQPUCDOUSCF-YFCLSCSWSA-N
HMDB52841,892.788376449,C59H104O5,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-32,35,57H,4-6,8-9,11-15,17,20,22-24,26,29-30,33-34,36-56H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,35-32-/t57-/m0/s1",AITROQFCEMLENH,XIXQBNMPSA,N,"TG(18:2(9Z,12Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",AITROQFCEMLENH-XIXQBNMPSA-N
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HMDB52843,918.804026513,C61H106O5,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,40,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-/t59-/m0/s1",NKRWHTNCYNQEEC,IWLHRCGMSA,N,"TG(18:2(9Z,12Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",NKRWHTNCYNQEEC-IWLHRCGMSA-N
HMDB52844,916.788376449,C61H104O5,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,40,46,49,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,49-46-/t59-/m0/s1",DZSFUUQYJJJCET,RQMRIZPYSA,N,"TG(18:2(9Z,12Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DZSFUUQYJJJCET-RQMRIZPYSA-N
HMDB52845,822.673740612,C53H90O6,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31-34,50H,4-15,18,21-23,28-30,35-49H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,33-31-,34-32-",VUBRMLKTBBPDPM,SOQOPGJRSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/18:3(6Z,9Z,12Z))",VUBRMLKTBBPDPM-SOQOPGJRSA-N
HMDB52846,852.720690811,C55H96O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28,33,35,52H,4-15,18,21-23,27,29-32,34,36-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,35-33-/t52-/m0/s1",FWLOAHZIIPEDQA,QLLQDTBKSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/20:2n6)",FWLOAHZIIPEDQA-QLLQDTBKSA-N
HMDB52847,850.705040747,C55H94O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,33,35,52H,4-15,18,21-23,27,30,32,34,36-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-,35-33-/t52-/m0/s1",VSRQTLRSWYARFI,OAZAKXOKSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/20:3n6)",VSRQTLRSWYARFI-OAZAKXOKSA-N
HMDB52848,848.689390682,C55H92O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,33,35-36,39,52H,4-15,18,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-/t52-/m0/s1",UWEUDAXSDXAMLP,VJTOONBCSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/20:4(5Z,8Z,11Z,14Z))",UWEUDAXSDXAMLP-VJTOONBCSA-N
HMDB52849,880.75199094,C57H100O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,30,35,37,54H,4-15,18,21-23,27-29,31-34,36,38-53H2,1-3H3/b19-16-,20-17-,26-24-,30-25-,37-35-/t54-/m0/s1",OLENDCDRWPUUBG,WXOMCRGRSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/22:2(13Z,16Z))",OLENDCDRWPUUBG-WXOMCRGRSA-N
HMDB52850,876.720690811,C57H96O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,35-37,54H,4-15,18,21-23,27,31-32,34,38-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-/t54-/m0/s1",ZVMJBWXMFSWRGW,RLVXVTDASA,N,"TG(18:3(6Z,9Z,12Z)/14:0/22:4(7Z,10Z,13Z,16Z))",ZVMJBWXMFSWRGW-RLVXVTDASA-N
HMDB52851,874.705040747,C57H94O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,35-37,41,44,54H,4-15,18,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-/t54-/m0/s1",MJWVHCZGGQGWHT,MWRLHCNBSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",MJWVHCZGGQGWHT-MWRLHCNBSA-N
HMDB52852,822.673740618,C53H90O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,32,34,50H,4-6,8-9,11-15,18,21-23,28-31,33,35-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,34-32-/t50-/m1/s1",UTMDWTPRTUFCIU,JBECEABZSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/18:3(9Z,12Z,15Z))",UTMDWTPRTUFCIU-JBECEABZSA-N
HMDB52853,820.658090554,C53H88O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,31-34,50H,4-6,8-9,11-15,18,21-23,28-30,35-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,33-31-,34-32-/t50-/m1/s1",VVVNSDLSXSUPJU,XFXGAPEFSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/18:4(6Z,9Z,12Z,15Z))",VVVNSDLSXSUPJU-XFXGAPEFSA-N
HMDB52854,848.689390682,C55H92O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,33,35,52H,4-6,8-9,11-15,18,21-23,27,30,32,34,36-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-/t52-/m0/s1",MGALLZZBRFTUDR,DKHGMYPGSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/20:4(8Z,11Z,14Z,17Z))",MGALLZZBRFTUDR-DKHGMYPGSA-N
HMDB52855,846.673740618,C55H90O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,33,35-36,39,52H,4-6,8-9,11-15,18,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-/t52-/m0/s1",IWJJTQAZCKHNSD,XMJLDFGJSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",IWJJTQAZCKHNSD-XMJLDFGJSA-N
HMDB52856,874.705040747,C57H94O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,35-37,54H,4-6,8-9,11-15,18,21-23,27,31-32,34,38-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-/t54-/m0/s1",VTRDQVMBVSMRSU,ORXXTFTASA,N,"TG(18:3(6Z,9Z,12Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",VTRDQVMBVSMRSU-ORXXTFTASA-N
HMDB52857,872.689390682,C57H92O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,35-37,41,44,54H,4-6,8-9,11-15,18,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-/t54-/m0/s1",BDLWCDMLPHNPBC,IQGOHPMSSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BDLWCDMLPHNPBC-IQGOHPMSSA-N
HMDB52858,814.741426256,C53H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,51H,4-16,18-19,21-24,26,28-31,33,35-50H2,1-3H3/b20-17-,27-25-,34-32-/t51-/m1/s1",OSDCQHWKSYLJEW,JGCJQHQLSA,N,"TG(18:3(6Z,9Z,12Z)/14:0/o-18:0)",OSDCQHWKSYLJEW-JGCJQHQLSA-N
HMDB52859,836.689390676,C54H92O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32-35,51H,4-15,18,21-24,29-31,36-50H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-,35-33-",NIDFJEPGVCTSLQ,YRJCGZQASA,N,"TG(18:3(6Z,9Z,12Z)/15:0/18:3(6Z,9Z,12Z))",NIDFJEPGVCTSLQ-YRJCGZQASA-N
HMDB52860,866.736340876,C56H98O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,34,36,53H,4-15,18,21-24,28,30-33,35,37-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,36-34-/t53-/m0/s1",AZHJOBPIZNYWFF,XXFOPVSUSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/20:2n6)",AZHJOBPIZNYWFF-XXFOPVSUSA-N
HMDB52861,864.720690811,C56H96O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,34,36,53H,4-15,18,21-24,28,31,33,35,37-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,36-34-/t53-/m0/s1",ZHEFGUAHPHYNEA,KYJOBDKCSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/20:3n6)",ZHEFGUAHPHYNEA-KYJOBDKCSA-N
HMDB52862,862.705040747,C56H94O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,34,36-37,40,53H,4-15,18,21-24,28,31,33,35,38-39,41-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,36-34-,40-37-/t53-/m0/s1",VQVSNYZRLAZYBM,UMAAMZLXSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/20:4(5Z,8Z,11Z,14Z))",VQVSNYZRLAZYBM-UMAAMZLXSA-N
HMDB52863,894.767641004,C58H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,36,38,55H,4-15,18,21-24,28-30,32-35,37,39-54H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,38-36-/t55-/m0/s1",PQRTUFPHUHTZLN,MZCAYOPOSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/22:2(13Z,16Z))",PQRTUFPHUHTZLN-MZCAYOPOSA-N
HMDB52864,890.736340876,C58H98O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,36-38,55H,4-15,18,21-24,28,32-33,35,39-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-/t55-/m0/s1",TUTJOEOWCYKBQC,TUJHRKMFSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/22:4(7Z,10Z,13Z,16Z))",TUTJOEOWCYKBQC-TUJHRKMFSA-N
HMDB52865,888.720690811,C58H96O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,36-38,42,45,55H,4-15,18,21-24,28,32-33,35,39-41,43-44,46-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-,45-42-/t55-/m0/s1",JBMKVJYELCBRCC,ZFYYJGMHSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",JBMKVJYELCBRCC-ZFYYJGMHSA-N
HMDB52866,836.689390682,C54H92O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,33,35,51H,4-6,8-9,11-15,18,21-24,29-32,34,36-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,35-33-/t51-/m1/s1",DOJQPFHVNQVTEM,PMSYCQOASA,N,"TG(18:3(6Z,9Z,12Z)/15:0/18:3(9Z,12Z,15Z))",DOJQPFHVNQVTEM-PMSYCQOASA-N
HMDB52867,834.673740618,C54H90O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,32-35,51H,4-6,8-9,11-15,18,21-24,29-31,36-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-32-,35-33-/t51-/m1/s1",PIXJBZFXIDQKQT,ZPGUCJJHSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/18:4(6Z,9Z,12Z,15Z))",PIXJBZFXIDQKQT-ZPGUCJJHSA-N
HMDB52868,862.705040747,C56H94O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,34,36,53H,4-6,8-9,11-15,18,21-24,28,31,33,35,37-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-/t53-/m0/s1",PJMSGNXNAFLZSL,WMCNYHJBSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/20:4(8Z,11Z,14Z,17Z))",PJMSGNXNAFLZSL-WMCNYHJBSA-N
HMDB52869,860.689390682,C56H92O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,34,36-37,40,53H,4-6,8-9,11-15,18,21-24,28,31,33,35,38-39,41-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-,40-37-/t53-/m0/s1",LANXKYZDCZRVAG,XLDVJFRQSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",LANXKYZDCZRVAG-XLDVJFRQSA-N
HMDB52870,888.720690811,C58H96O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,36-38,55H,4-6,8-9,11-15,18,21-24,28,32-33,35,39-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-/t55-/m0/s1",CYOHTYPTKYBDNF,OOMJWHMBSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",CYOHTYPTKYBDNF-OOMJWHMBSA-N
HMDB52871,886.705040747,C58H94O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,36-38,42,45,55H,4-6,8-9,11-15,18,21-24,28,32-33,35,39-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-,45-42-/t55-/m0/s1",DGCMBINMHMPPNI,ZKHVECRCSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DGCMBINMHMPPNI-ZKHVECRCSA-N
HMDB52872,828.75707632,C54H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,52H,4-16,18-19,21-25,27,29-32,34,36-51H2,1-3H3/b20-17-,28-26-,35-33-/t52-/m1/s1",JULFTYLLKSHNRK,SJKHGKAXSA,N,"TG(18:3(6Z,9Z,12Z)/15:0/o-18:0)",JULFTYLLKSHNRK-SJKHGKAXSA-N
HMDB52873,850.70504074,C55H94O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32-33,35-36,52H,4-15,18,21-24,29-31,34,37-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-32-,36-33-",HAXLABLTTFCMOV,CVFLZERTSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/18:3(6Z,9Z,12Z))",HAXLABLTTFCMOV-CVFLZERTSA-N
HMDB52874,880.75199094,C57H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,34,37,54H,4-15,18,21-24,28,30-33,35-36,38-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,37-34-/t54-/m0/s1",ZRVFQAMIIKQWFU,WEGPGILOSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/20:2n6)",ZRVFQAMIIKQWFU-WEGPGILOSA-N
HMDB52875,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33-34,37,54H,4-15,18,21-24,28,31-32,35-36,38-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,37-34-/t54-/m0/s1",OJQITFXDTSQSGJ,OJEIRCLISA,N,"TG(18:3(6Z,9Z,12Z)/16:0/20:3n6)",OJQITFXDTSQSGJ-OJEIRCLISA-N
HMDB52876,876.720690811,C57H96O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33-34,37-38,41,54H,4-15,18,21-24,28,31-32,35-36,39-40,42-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,37-34-,41-38-/t54-/m0/s1",GJGNAQLHISYBOE,KRUXHDCZSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/20:4(5Z,8Z,11Z,14Z))",GJGNAQLHISYBOE-KRUXHDCZSA-N
HMDB52877,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,36,39,56H,4-15,18,21-24,28-30,32-35,37-38,40-55H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,39-36-/t56-/m0/s1",UHIIMVGXCCHCTP,SVXXZGOZSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/22:2(13Z,16Z))",UHIIMVGXCCHCTP-SVXXZGOZSA-N
HMDB52878,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35-37,39,56H,4-15,18,21-24,28,32-34,38,40-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-/t56-/m0/s1",OHAGPOWJQKIURL,JDPAPELKSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/22:4(7Z,10Z,13Z,16Z))",OHAGPOWJQKIURL-JDPAPELKSA-N
HMDB52879,902.736340876,C59H98O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35-37,39,43,46,56H,4-15,18,21-24,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-/t56-/m0/s1",CZXVAVPFRFGZQY,FSKYGOLNSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",CZXVAVPFRFGZQY-FSKYGOLNSA-N
HMDB52880,850.705040747,C55H94O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,33,36,52H,4-6,8-9,11-15,18,21-24,29-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,36-33-/t52-/m1/s1",HFLMCSPFBCVTAV,QBPZNAFCSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/18:3(9Z,12Z,15Z))",HFLMCSPFBCVTAV-QBPZNAFCSA-N
HMDB52881,848.689390682,C55H92O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,32-33,35-36,52H,4-6,8-9,11-15,18,21-24,29-31,34,37-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,35-32-,36-33-/t52-/m1/s1",HRCHXLSJCINROF,WFXOLEAPSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/18:4(6Z,9Z,12Z,15Z))",HRCHXLSJCINROF-WFXOLEAPSA-N
HMDB52882,876.720690811,C57H96O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33-34,37,54H,4-6,8-9,11-15,18,21-24,28,31-32,35-36,38-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-/t54-/m0/s1",AYRWLMSYNVVIFF,BNGHSPBHSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/20:4(8Z,11Z,14Z,17Z))",AYRWLMSYNVVIFF-BNGHSPBHSA-N
HMDB52883,874.705040747,C57H94O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33-34,37-38,41,54H,4-6,8-9,11-15,18,21-24,28,31-32,35-36,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-,41-38-/t54-/m0/s1",NEGSCHYFYULFSR,KCYBPFMDSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",NEGSCHYFYULFSR-KCYBPFMDSA-N
HMDB52884,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35-37,39,56H,4-6,8-9,11-15,18,21-24,28,32-34,38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-/t56-/m0/s1",ZAPRPMYRCLWRKP,PTHLQLLRSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",ZAPRPMYRCLWRKP-PTHLQLLRSA-N
HMDB52885,900.720690811,C59H96O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35-37,39,43,46,56H,4-6,8-9,11-15,18,21-24,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-/t56-/m0/s1",PZDNZVIDHUTVSG,UJUQEBHQSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PZDNZVIDHUTVSG-UJUQEBHQSA-N
HMDB52886,842.772726384,C55H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,53H,4-16,18-19,21-25,27,29-32,34-35,37-52H2,1-3H3/b20-17-,28-26-,36-33-/t53-/m1/s1",ZGXRJWDPYLJJFG,NSZKPIBJSA,N,"TG(18:3(6Z,9Z,12Z)/16:0/o-18:0)",ZGXRJWDPYLJJFG-NSZKPIBJSA-N
HMDB52887,878.736340868,C57H98O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-35,37-38,54H,4-15,18,21-24,27,30-33,36,39-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,38-35-",CYRIPFVMELSYIF,KUCWVPRQSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/18:3(6Z,9Z,12Z))",CYRIPFVMELSYIF-KUCWVPRQSA-N
HMDB52888,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30,36,39,56H,4-15,18,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,39-36-/t56-/m0/s1",PGKXXCVUXFYBGA,IKHXCLKRSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/20:2n6)",PGKXXCVUXFYBGA-IKHXCLKRSA-N
HMDB52889,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30,32,34,36,39,56H,4-15,18,21-24,27,29,31,33,35,37-38,40-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,34-32-,39-36-/t56-/m0/s1",OCKNZUVLOGWCEM,NWVHTJBYSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/20:3n6)",OCKNZUVLOGWCEM-NWVHTJBYSA-N
HMDB52890,904.75199094,C59H100O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30,32,34,36,39-40,43,56H,4-15,18,21-24,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,34-32-,39-36-,43-40-/t56-/m0/s1",POZGNGOEDFNBIO,NBMYHLDZSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z))",POZGNGOEDFNBIO-NBMYHLDZSA-N
HMDB52891,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,32,38,41,58H,4-15,18,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b19-16-,20-17-,28-25-,32-26-,41-38-/t58-/m0/s1",VNFJXKVPXXXRLS,IPSBFPOBSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/22:2(13Z,16Z))",VNFJXKVPXXXRLS-IPSBFPOBSA-N
HMDB52892,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30-32,36,38-39,41,58H,4-15,18,21-24,27,29,33-35,37,40,42-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-/t58-/m0/s1",UEYIRIPACFYDRB,XOQRMHAYSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/22:4(7Z,10Z,13Z,16Z))",UEYIRIPACFYDRB-XOQRMHAYSA-N
HMDB52893,930.767641004,C61H102O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30-32,36,38-39,41,45,48,58H,4-15,18,21-24,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-/t58-/m0/s1",IXHOHSSGTKISJH,WMNOCSDJSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",IXHOHSSGTKISJH-WMNOCSDJSA-N
HMDB52894,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,35,38,54H,4-6,8-9,11-15,18,21-24,27,30-34,36-37,39-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,38-35-/t54-/m1/s1",LJXHLBNHKHBSOA,UXQJRZQOSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/18:3(9Z,12Z,15Z))",LJXHLBNHKHBSOA-UXQJRZQOSA-N
HMDB52895,876.720690811,C57H96O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,54H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-/t54-/m1/s1",IGEMNVPBKLGOPY,IKDBBOFHSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/18:4(6Z,9Z,12Z,15Z))",IGEMNVPBKLGOPY-IKDBBOFHSA-N
HMDB52896,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30,32,34,36,39,56H,4-6,8-9,11-15,18,21-24,27,29,31,33,35,37-38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,34-32-,39-36-/t56-/m0/s1",RBZJNXPMPWDROS,AVQGHPJNSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/20:4(8Z,11Z,14Z,17Z))",RBZJNXPMPWDROS-AVQGHPJNSA-N
HMDB52897,902.736340876,C59H98O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30,32,34,36,39-40,43,56H,4-6,8-9,11-15,18,21-24,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,34-32-,39-36-,43-40-/t56-/m0/s1",JQMOPNIFEWFYBJ,SVNGECNVSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",JQMOPNIFEWFYBJ-SVNGECNVSA-N
HMDB52898,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30-32,36,38-39,41,58H,4-6,8-9,11-15,18,21-24,27,29,33-35,37,40,42-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-/t58-/m0/s1",IWNJINITUWRNHW,SIVISDGYSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",IWNJINITUWRNHW-SIVISDGYSA-N
HMDB52899,928.75199094,C61H100O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30-32,36,38-39,41,45,48,58H,4-6,8-9,11-15,18,21-24,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-/t58-/m0/s1",KMBDZHGOMVXWIG,FUGRWMBISA,N,"TG(18:3(6Z,9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KMBDZHGOMVXWIG-FUGRWMBISA-N
HMDB52900,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,55H,4-16,18-19,21-25,27-28,30-34,36-37,39-54H2,1-3H3/b20-17-,29-26-,38-35-/t55-/m1/s1",XYIQAWXUEATHMZ,LRZOXXFJSA,N,"TG(18:3(6Z,9Z,12Z)/18:0/o-18:0)",XYIQAWXUEATHMZ-LRZOXXFJSA-N
HMDB52901,906.767640996,C59H102O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,30-31,36-37,39-40,56H,4-16,19,22-25,28-29,32-35,38,41-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,39-36-,40-37-",BALRNONMWCYHCH,FBHWXLEPSA,N,"TG(18:3(6Z,9Z,12Z)/20:0/18:3(6Z,9Z,12Z))",BALRNONMWCYHCH-FBHWXLEPSA-N
HMDB52902,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,38,41,58H,4-15,17,20,22-24,26,29-31,33-37,39-40,42-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,41-38-/t58-/m0/s1",LTCRKTJVWJRRIF,ZCCAKILASA,N,"TG(18:3(6Z,9Z,12Z)/20:0/20:2n6)",LTCRKTJVWJRRIF-ZCCAKILASA-N
HMDB52903,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,36,38,41,58H,4-15,17,20,22-24,26,29-31,34-35,37,39-40,42-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,36-33-,41-38-/t58-/m0/s1",UGPACKDLWLMUMR,OLJOTUEJSA,N,"TG(18:3(6Z,9Z,12Z)/20:0/20:3n6)",UGPACKDLWLMUMR-OLJOTUEJSA-N
HMDB52904,932.783291069,C61H104O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,36,38,41-42,45,58H,4-15,17,20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,36-33-,41-38-,45-42-/t58-/m0/s1",VXCQEGLDTWJTNL,JWNPRWQOSA,N,"TG(18:3(6Z,9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))",VXCQEGLDTWJTNL-JWNPRWQOSA-N
HMDB52905,964.845891316,C63H112O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,40,43,60H,4-15,17,20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-,43-40-",PTMJQDBEENYEHE,LLHZFHSZSA,N,"TG(18:3(6Z,9Z,12Z)/20:0/22:2(13Z,16Z))",PTMJQDBEENYEHE-LLHZFHSZSA-N
HMDB52906,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,40-41,43,60H,4-15,17,20,22-24,26,29-30,32,35-37,39,42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-/t60-/m0/s1",VXQFNKDTBNYFRT,JAWABACTSA,N,"TG(18:3(6Z,9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z))",VXQFNKDTBNYFRT-JAWABACTSA-N
HMDB52907,958.798941133,C63H106O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,40-41,43,47,50,60H,4-15,17,20,22-24,26,29-30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-,50-47-/t60-/m0/s1",MLHPCHDXLJOHRM,FVJNKRAASA,N,"TG(18:3(6Z,9Z,12Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",MLHPCHDXLJOHRM-FVJNKRAASA-N
HMDB52908,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,30-31,37,40,56H,4-7,9-10,12-16,19,22-25,28-29,32-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-,40-37-/t56-/m1/s1",YSKAVPRLMSCQOC,ZHYIQPOYSA,N,"TG(18:3(6Z,9Z,12Z)/20:0/18:3(9Z,12Z,15Z))",YSKAVPRLMSCQOC-ZHYIQPOYSA-N
HMDB52909,904.75199094,C59H100O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,30-31,36-37,39-40,56H,4-7,9-10,12-16,19,22-25,28-29,32-35,38,41-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-,39-36-,40-37-/t56-/m1/s1",CLRRWNWNAYTCHE,YIDNNMADSA,N,"TG(18:3(6Z,9Z,12Z)/20:0/18:4(6Z,9Z,12Z,15Z))",CLRRWNWNAYTCHE-YIDNNMADSA-N
HMDB52910,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,36,38,41,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34-35,37,39-40,42-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,36-33-,41-38-/t58-/m0/s1",HAVWUFRMVCARMH,OHFHBDIASA,N,"TG(18:3(6Z,9Z,12Z)/20:0/20:4(8Z,11Z,14Z,17Z))",HAVWUFRMVCARMH-OHFHBDIASA-N
HMDB52911,930.767641004,C61H102O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,36,38,41-42,45,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,36-33-,41-38-,45-42-/t58-/m0/s1",LSXDZNCCTZMUIJ,AKSAGIGJSA,N,"TG(18:3(6Z,9Z,12Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",LSXDZNCCTZMUIJ-AKSAGIGJSA-N
HMDB52912,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,40-41,43,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39,42,44-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-/t60-/m0/s1",JJABVFOQBZMQSC,IATUMYPOSA,N,"TG(18:3(6Z,9Z,12Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",JJABVFOQBZMQSC-IATUMYPOSA-N
HMDB52913,956.783291069,C63H104O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,40-41,43,47,50,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-,50-47-/t60-/m0/s1",BTYYWBNWBIXRST,VZPOCRQRSA,N,"TG(18:3(6Z,9Z,12Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BTYYWBNWBIXRST-VZPOCRQRSA-N
HMDB52914,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,27,31,37,40,57H,4-17,19-20,22-26,28-30,32-36,38-39,41-56H2,1-3H3/b21-18-,31-27-,40-37-/t57-/m1/s1",NMICSMGXQUVZCX,VBUAWLMLSA,N,"TG(18:3(6Z,9Z,12Z)/20:0/o-18:0)",NMICSMGXQUVZCX-VBUAWLMLSA-N
HMDB52915,934.798941124,C61H106O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,32-33,38-39,41-42,58H,4-16,19,22-25,28-31,34-37,40,43-57H2,1-3H3/b20-17-,21-18-,32-26-,33-27-,41-38-,42-39-",TWWZJDVAEQNERK,FZRKFAELSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/18:3(6Z,9Z,12Z))",TWWZJDVAEQNERK-FZRKFAELSA-N
HMDB52916,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,40,43,60H,4-16,19,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,43-40-/t60-/m0/s1",UEFBXDIEVPQCTF,ZCFQMQTQSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/20:2n6)",UEFBXDIEVPQCTF-ZCFQMQTQSA-N
HMDB52917,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,38,40,43,60H,4-16,19,22-25,28,30-33,36-37,39,41-42,44-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,38-35-,43-40-/t60-/m0/s1",TWIVSQOXNBXDFW,IHGNOWGRSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/20:3n6)",TWIVSQOXNBXDFW-IHGNOWGRSA-N
HMDB52918,960.814591198,C63H108O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,38,40,43-44,47,60H,4-16,19,22-25,28,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,38-35-,43-40-,47-44-/t60-/m0/s1",PPCMUQAZKHNJOU,XONRMUJXSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/20:4(5Z,8Z,11Z,14Z))",PPCMUQAZKHNJOU-XONRMUJXSA-N
HMDB52919,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,36,42,45,62H,4-15,17,20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b19-16-,21-18-,28-25-,36-27-,45-42-/t62-/m0/s1",LEUNYDCIWVIYSZ,CYYWVFIBSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/22:2(13Z,16Z))",LEUNYDCIWVIYSZ-CYYWVFIBSA-N
HMDB52920,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,40,42-43,45,62H,4-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-/t62-/m0/s1",QEJMGZGTGNAERG,XXJOLZCQSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/22:4(7Z,10Z,13Z,16Z))",QEJMGZGTGNAERG-XXJOLZCQSA-N
HMDB52921,986.830241262,C65H110O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,40,42-43,45,49,52,62H,4-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-,52-49-/t62-/m0/s1",XQRQCHTUOPWKCN,QNGQFJJISA,N,"TG(18:3(6Z,9Z,12Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",XQRQCHTUOPWKCN-QNGQFJJISA-N
HMDB52922,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,32-33,39,42,58H,4-7,9-10,12-16,19,22-25,28-31,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-,42-39-/t58-/m1/s1",FEIFPNFQRQSMOS,JIUPMJPUSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/18:3(9Z,12Z,15Z))",FEIFPNFQRQSMOS-JIUPMJPUSA-N
HMDB52923,932.783291069,C61H104O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,32-33,38-39,41-42,58H,4-7,9-10,12-16,19,22-25,28-31,34-37,40,43-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-,41-38-,42-39-/t58-/m1/s1",MECBOQOFLGYANN,LNICGBIQSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/18:4(6Z,9Z,12Z,15Z))",MECBOQOFLGYANN-LNICGBIQSA-N
HMDB52924,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,38,40,43,60H,4-7,9-10,12-16,19,22-25,28,30-33,36-37,39,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,38-35-,43-40-/t60-/m0/s1",UEZQRLAJSZVIJF,ODLUPHNLSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/20:4(8Z,11Z,14Z,17Z))",UEZQRLAJSZVIJF-ODLUPHNLSA-N
HMDB52925,958.798941133,C63H106O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,38,40,43-44,47,60H,4-7,9-10,12-16,19,22-25,28,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,38-35-,43-40-,47-44-/t60-/m0/s1",OAHFSXGNMDGFOX,MDECKRBDSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",OAHFSXGNMDGFOX-MDECKRBDSA-N
HMDB52926,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,40,42-43,45,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-/t62-/m0/s1",WBOGFNYOEDNZQG,LBJZHFANSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",WBOGFNYOEDNZQG-LBJZHFANSA-N
HMDB52927,984.814591198,C65H108O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,40,42-43,45,49,52,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-,52-49-/t62-/m0/s1",XBIQXTQHPXNXDZ,URJBCGBDSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XBIQXTQHPXNXDZ-URJBCGBDSA-N
HMDB52928,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,27,33,39,42,59H,4-17,19-20,22-26,28-32,34-38,40-41,43-58H2,1-3H3/b21-18-,33-27-,42-39-/t59-/m1/s1",DNBFQFXWSKRTGJ,GCPRVGKFSA,N,"TG(18:3(6Z,9Z,12Z)/22:0/o-18:0)",DNBFQFXWSKRTGJ-GCPRVGKFSA-N
HMDB52929,962.830241252,C63H110O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,34-35,40-41,43-44,60H,4-16,19,22-25,28-33,36-39,42,45-59H2,1-3H3/b20-17-,21-18-,34-26-,35-27-,43-40-,44-41-",JIILIEPJZCAPPZ,MIXPTEANSA,N,"TG(18:3(6Z,9Z,12Z)/24:0/18:3(6Z,9Z,12Z))",JIILIEPJZCAPPZ-MIXPTEANSA-N
HMDB52930,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,42,45,62H,4-16,19,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,45-42-/t62-/m0/s1",IOWHFJWYHGOCHF,OFFGYPDISA,N,"TG(18:3(6Z,9Z,12Z)/24:0/20:2n6)",IOWHFJWYHGOCHF-OFFGYPDISA-N
HMDB52931,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36-37,40,42,45,62H,4-16,19,22-25,28,30-35,38-39,41,43-44,46-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,40-37-,45-42-/t62-/m0/s1",FSVTTZZUKCYQTQ,SRDCKNMXSA,N,"TG(18:3(6Z,9Z,12Z)/24:0/20:3n6)",FSVTTZZUKCYQTQ-SRDCKNMXSA-N
HMDB52932,988.845891326,C65H112O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36-37,40,42,45-46,49,62H,4-16,19,22-25,28,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,40-37-,45-42-,49-46-/t62-/m0/s1",JGFAHCZMUJMGPA,FDCAFGPYSA,N,"TG(18:3(6Z,9Z,12Z)/24:0/20:4(5Z,8Z,11Z,14Z))",JGFAHCZMUJMGPA-FDCAFGPYSA-N
HMDB52933,1020.908491584,C67H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,38,44,47,64H,4-16,19,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b20-17-,21-18-,29-26-,38-27-,47-44-/t64-/m0/s1",BDGONGJUPROTKE,YWSWFRSESA,N,"TG(18:3(6Z,9Z,12Z)/24:0/22:2(13Z,16Z))",BDGONGJUPROTKE-YWSWFRSESA-N
HMDB52934,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,38,42,44-45,47,64H,4-16,19,22-25,28,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-/t64-/m0/s1",IVCLPNJKAVHCLM,LQFVQTMBSA,N,"TG(18:3(6Z,9Z,12Z)/24:0/22:4(7Z,10Z,13Z,16Z))",IVCLPNJKAVHCLM-LQFVQTMBSA-N
HMDB52935,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,38,42,44-45,47,51,54,64H,4-16,19,22-25,28,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-/t64-/m0/s1",LCSJDLCODJEICE,GQNKVNGISA,N,"TG(18:3(6Z,9Z,12Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",LCSJDLCODJEICE-GQNKVNGISA-N
HMDB52936,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,34-35,41,44,60H,4-7,9-10,12-16,19,22-25,28-33,36-40,42-43,45-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,44-41-/t60-/m1/s1",SLHARRPKIAUULE,VUGHRXNESA,N,"TG(18:3(6Z,9Z,12Z)/24:0/18:3(9Z,12Z,15Z))",SLHARRPKIAUULE-VUGHRXNESA-N
HMDB52937,960.814591198,C63H108O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,34-35,40-41,43-44,60H,4-7,9-10,12-16,19,22-25,28-33,36-39,42,45-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,43-40-,44-41-/t60-/m1/s1",PLNNOUPGFJFCGD,YNSSQFMWSA,N,"TG(18:3(6Z,9Z,12Z)/24:0/18:4(6Z,9Z,12Z,15Z))",PLNNOUPGFJFCGD-YNSSQFMWSA-N
HMDB52938,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,40,42,45,62H,4-7,9-10,12-16,19,22-25,28,30-35,38-39,41,43-44,46-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,40-37-,45-42-/t62-/m0/s1",IKKHJBLEYFVTGS,HJDXWCDPSA,N,"TG(18:3(6Z,9Z,12Z)/24:0/20:4(8Z,11Z,14Z,17Z))",IKKHJBLEYFVTGS-HJDXWCDPSA-N
HMDB52939,986.830241262,C65H110O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,40,42,45-46,49,62H,4-7,9-10,12-16,19,22-25,28,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,40-37-,45-42-,49-46-/t62-/m0/s1",HKLRZYXCDDBSPA,RAQWCISXSA,N,"TG(18:3(6Z,9Z,12Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",HKLRZYXCDDBSPA-RAQWCISXSA-N
HMDB52940,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,42,44-45,47,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-/t64-/m0/s1",NSNZATLHIUWOBO,HASRGOSXSA,N,"TG(18:3(6Z,9Z,12Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",NSNZATLHIUWOBO-HASRGOSXSA-N
HMDB52941,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,42,44-45,47,51,54,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-/t64-/m0/s1",WGSBCFTVMQGURO,KSNCOTFGSA,N,"TG(18:3(6Z,9Z,12Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WGSBCFTVMQGURO-KSNCOTFGSA-N
HMDB52942,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,27,35,41,44,61H,4-17,19-20,22-26,28-34,36-40,42-43,45-60H2,1-3H3/b21-18-,35-27-,44-41-/t61-/m1/s1",CVMGFHNEUZQYDT,ZIAGUZGGSA,N,"TG(18:3(6Z,9Z,12Z)/24:0/o-18:0)",CVMGFHNEUZQYDT-ZIAGUZGGSA-N
HMDB52943,820.658090548,C53H88O6,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,31-34,50H,4-14,21-23,28-30,35-49H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,34-32-",RWHYHXQCPAWVJF,MKPGXPOSSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/18:3(6Z,9Z,12Z))",RWHYHXQCPAWVJF-MKPGXPOSSA-N
HMDB52944,850.705040747,C55H94O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28,33,35,52H,4-14,21-23,27,29-32,34,36-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-,35-33-/t52-/m0/s1",YWFRKDXIDHDWQO,QOVCOYJISA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:2n6)",YWFRKDXIDHDWQO-QOVCOYJISA-N
HMDB52945,848.689390682,C55H92O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-29,31,33,35,52H,4-14,21-23,27,30,32,34,36-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-/t52-/m0/s1",BARSOHHUKSMODH,ODNNMPODSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:3n6)",BARSOHHUKSMODH-ODNNMPODSA-N
HMDB52946,846.673740618,C55H90O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-29,31,33,35-36,39,52H,4-14,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-/t52-/m0/s1",IPZAGWFBYFPNDB,JHFXQIAWSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",IPZAGWFBYFPNDB-JHFXQIAWSA-N
HMDB52947,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,30,35,37,54H,4-14,21-23,27-29,31-34,36,38-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,30-25-,37-35-/t54-/m0/s1",SXYQGRPPCIXVJN,YTIIVZRSSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:2(13Z,16Z))",SXYQGRPPCIXVJN-YTIIVZRSSA-N
HMDB52948,874.705040747,C57H94O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,35-37,54H,4-14,21-23,27,31-32,34,38-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-/t54-/m0/s1",XLRJYKLFISHMKJ,JJPFMVOPSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",XLRJYKLFISHMKJ-JJPFMVOPSA-N
HMDB52949,872.689390682,C57H92O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,35-37,41,44,54H,4-14,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-/t54-/m0/s1",YKQRXCLWKFLHFJ,KBIZVPRFSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YKQRXCLWKFLHFJ-KBIZVPRFSA-N
HMDB52950,820.658090554,C53H88O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,32,34,50H,4-6,8-9,11-14,21-23,28-31,33,35-49H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,34-32-/t50-/m1/s1",KLBOVKRNXUZNMA,JEHWKYERSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/18:3(9Z,12Z,15Z))",KLBOVKRNXUZNMA-JEHWKYERSA-N
HMDB52951,818.642440489,C53H86O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,31-34,50H,4-6,8-9,11-14,21-23,28-30,35-49H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,34-32-/t50-/m1/s1",RWODBQNESWBVJA,DHBKXPFMSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",RWODBQNESWBVJA-DHBKXPFMSA-N
HMDB52952,846.673740618,C55H90O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,33,35,52H,4-6,8-9,11-14,21-23,27,30,32,34,36-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-/t52-/m0/s1",WVWNTZLQHYUDOK,GXBPFPNDSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",WVWNTZLQHYUDOK-GXBPFPNDSA-N
HMDB52953,844.658090554,C55H88O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,33,35-36,39,52H,4-6,8-9,11-14,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-/t52-/m0/s1",PHYOSNKZHBQYIA,RMQCKOASSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PHYOSNKZHBQYIA-RMQCKOASSA-N
HMDB52954,872.689390682,C57H92O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,33,35-37,54H,4-6,8-9,11-14,21-23,27,31-32,34,38-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-/t54-/m0/s1",ADPQXEMYMOWUHT,BOXMWSLSSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ADPQXEMYMOWUHT-BOXMWSLSSA-N
HMDB52955,870.673740618,C57H90O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,33,35-37,41,44,54H,4-6,8-9,11-14,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-/t54-/m0/s1",CJJXYUNBBATRLN,DBSUSLGHSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CJJXYUNBBATRLN-DBSUSLGHSA-N
HMDB52956,812.725776191,C53H96O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,51H,4-14,16,19,21-24,26,28-31,33,35-50H2,1-3H3/b18-15-,20-17-,27-25-,34-32-/t51-/m1/s1",FIMXYAIQOUHQJE,HCHFWKSUSA,N,"TG(18:3(6Z,9Z,12Z)/14:1(9Z)/o-18:0)",FIMXYAIQOUHQJE-HCHFWKSUSA-N
HMDB52957,848.689390676,C55H92O6,CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,32-33,35-36,52H,4-15,18,22-23,29-31,34,37-51H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,35-32-,36-33-",FGFUHFRAVRWTCO,FLHITZKGSA,N,"TG(18:3(6Z,9Z,12Z)/16:1(9Z)/18:3(6Z,9Z,12Z))",FGFUHFRAVRWTCO-FLHITZKGSA-N
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HMDB52959,876.720690811,C57H96O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,33-34,37,54H,4-15,18,22-23,28,31-32,35-36,38-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-/t54-/m0/s1",UIEWCGNELIXBBE,ZNCBNTBBSA,N,"TG(18:3(6Z,9Z,12Z)/16:1(9Z)/20:3n6)",UIEWCGNELIXBBE-ZNCBNTBBSA-N
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HMDB52984,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,38,55H,4-16,18-19,22-23,25,27-28,30-34,36-37,39-54H2,1-3H3/b20-17-,24-21-,29-26-,38-35-/t55-/m1/s1",HLDNWFKUIPUXFI,DKHQVFKZSA,N,"TG(18:3(6Z,9Z,12Z)/18:1(11Z)/o-18:0)",HLDNWFKUIPUXFI-DKHQVFKZSA-N
HMDB52985,876.720690804,C57H96O6,CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,54H,4-15,18,21-24,31-33,36,39-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-",RRMIXHDFNFMRAT,PNXCXXNWSA,N,"TG(18:3(6Z,9Z,12Z)/18:1(9Z)/18:3(6Z,9Z,12Z))",RRMIXHDFNFMRAT-PNXCXXNWSA-N
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HMDB52990,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-33,36,38-39,41,58H,4-15,18,21-24,29,34-35,37,40,42-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-/t58-/m0/s1",QFSAGBVYBVCRGS,LAIYZZOSSA,N,"TG(18:3(6Z,9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",QFSAGBVYBVCRGS-LAIYZZOSSA-N
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HMDB53027,932.78329106,C61H104O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,32-33,38-39,41-42,58H,4-16,19,22-24,29-31,34-37,40,43-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,42-39-",OFWRYICSUNVLJW,NADLNGJGSA,N,"TG(18:3(6Z,9Z,12Z)/22:1(13Z)/18:3(6Z,9Z,12Z))",OFWRYICSUNVLJW-NADLNGJGSA-N
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HMDB53029,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,38,40,43,60H,4-16,19,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-/t60-/m0/s1",PNEWRAIJNFNZRF,XSCZIMBPSA,N,"TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:3n6)",PNEWRAIJNFNZRF-XSCZIMBPSA-N
HMDB53030,958.798941133,C63H106O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,38,40,43-44,47,60H,4-16,19,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-/t60-/m0/s1",DGYTXSNHLHPLMV,XTGFSRPPSA,N,"TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",DGYTXSNHLHPLMV-XTGFSRPPSA-N
HMDB53031,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,36,42,45,62H,4-15,17,20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m0/s1",ISSZJUUEQCKVTF,NBJQUGTFSA,N,"TG(18:3(6Z,9Z,12Z)/22:1(13Z)/22:2(13Z,16Z))",ISSZJUUEQCKVTF-NBJQUGTFSA-N
HMDB53032,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,40,42-43,45,62H,4-15,17,20,22-24,30-31,33,35,37-39,41,44,46-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-/t62-/m0/s1",SJZBVFXTFXRXJZ,XNLLCJBHSA,N,"TG(18:3(6Z,9Z,12Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",SJZBVFXTFXRXJZ-XNLLCJBHSA-N
HMDB53033,984.814591198,C65H108O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,40,42-43,45,49,52,62H,4-15,17,20,22-24,30-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-,52-49-/t62-/m0/s1",QDEBKBHHXNDVIP,VAEJFXGLSA,N,"TG(18:3(6Z,9Z,12Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QDEBKBHHXNDVIP-VAEJFXGLSA-N
HMDB53034,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,32-33,39,42,58H,4-7,9-10,12-16,19,22-24,29-31,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-,42-39-/t58-/m1/s1",PZYJLTAJBNTJLC,ZKXLFMMGSA,N,"TG(18:3(6Z,9Z,12Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",PZYJLTAJBNTJLC-ZKXLFMMGSA-N
HMDB53035,930.767641004,C61H102O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,32-33,38-39,41-42,58H,4-7,9-10,12-16,19,22-24,29-31,34-37,40,43-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,42-39-/t58-/m1/s1",WFXYLHBMZPTWQH,MZOQQTFUSA,N,"TG(18:3(6Z,9Z,12Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",WFXYLHBMZPTWQH-MZOQQTFUSA-N
HMDB53036,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34-35,38,40,43,60H,4-7,9-10,12-16,19,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-/t60-/m0/s1",UYULDZRZDPVLFT,UJRXTZSCSA,N,"TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",UYULDZRZDPVLFT-UJRXTZSCSA-N
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HMDB53038,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32,34,36,40,42-43,45,62H,4-6,8-9,11-15,17,20,22-24,30-31,33,35,37-39,41,44,46-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-/t62-/m0/s1",TYNGMHDAQXEXFM,XSDFYJOSSA,N,"TG(18:3(6Z,9Z,12Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",TYNGMHDAQXEXFM-XSDFYJOSSA-N
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HMDB53040,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,33,39,42,59H,4-17,19-20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b21-18-,28-25-,33-27-,42-39-/t59-/m1/s1",NVZVXKRDHFHVPS,WEGMRAKCSA,N,"TG(18:3(6Z,9Z,12Z)/22:1(13Z)/o-18:0)",NVZVXKRDHFHVPS-WEGMRAKCSA-N
HMDB53041,960.814591188,C63H108O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,34-35,40-41,43-44,60H,4-16,19,22-24,29-33,36-39,42,45-59H2,1-3H3/b20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,44-41-",LTONGFUOJZJYON,HVXAALMISA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/18:3(6Z,9Z,12Z))",LTONGFUOJZJYON-HVXAALMISA-N
HMDB53042,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,42,45,62H,4-16,19,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m0/s1",BJXJRWQDOHARMW,FBCCOAMTSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:2n6)",BJXJRWQDOHARMW-FBCCOAMTSA-N
HMDB53043,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36-37,40,42,45,62H,4-16,19,22-24,30-35,38-39,41,43-44,46-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-/t62-/m0/s1",ZHSGWPHUAIYPID,FDEQTTCHSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:3n6)",ZHSGWPHUAIYPID-FDEQTTCHSA-N
HMDB53044,986.830241262,C65H110O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36-37,40,42,45-46,49,62H,4-16,19,22-24,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-,49-46-/t62-/m0/s1",GDENTJBMPZUFDS,MKTUHBFASA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",GDENTJBMPZUFDS-MKTUHBFASA-N
HMDB53045,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,38,44,47,64H,4-16,19,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,38-27-,47-44-/t64-/m0/s1",RMSUIKDOQNYVPQ,SASWRRAWSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:2(13Z,16Z))",RMSUIKDOQNYVPQ-SASWRRAWSA-N
HMDB53046,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,42,44-45,47,64H,4-16,19,22-24,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-/t64-/m0/s1",NXSPRYXGDHILKA,REAISLJHSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",NXSPRYXGDHILKA-REAISLJHSA-N
HMDB53047,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,42,44-45,47,51,54,64H,4-16,19,22-24,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-/t64-/m0/s1",RRLZRRMTUAEKPI,HFCPLJKCSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RRLZRRMTUAEKPI-HFCPLJKCSA-N
HMDB53048,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,34-35,41,44,60H,4-7,9-10,12-16,19,22-24,29-33,36-40,42-43,45-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,44-41-/t60-/m1/s1",DYCGMFSFBNADLT,CRSOEUICSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",DYCGMFSFBNADLT-CRSOEUICSA-N
HMDB53049,958.798941133,C63H106O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,34-35,40-41,43-44,60H,4-7,9-10,12-16,19,22-24,29-33,36-39,42,45-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,44-41-/t60-/m1/s1",UBRMSPGQEBRUJH,JJXUDGKHSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",UBRMSPGQEBRUJH-JJXUDGKHSA-N
HMDB53050,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36-37,40,42,45,62H,4-7,9-10,12-16,19,22-24,30-35,38-39,41,43-44,46-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-/t62-/m0/s1",MWURYDTYSKNVBX,SGYOQSITSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",MWURYDTYSKNVBX-SGYOQSITSA-N
HMDB53051,984.814591198,C65H108O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36-37,40,42,45-46,49,62H,4-7,9-10,12-16,19,22-24,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-,49-46-/t62-/m0/s1",MVYABSJLUUNLCB,OYZSHIFNSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MVYABSJLUUNLCB-OYZSHIFNSA-N
HMDB53052,1012.845891326,C67H112O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,38,42,44-45,47,64H,4-7,9-10,12-16,19,22-24,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-/t64-/m0/s1",FTLVHPHDLFVPCN,HLZOZRBJSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FTLVHPHDLFVPCN-HLZOZRBJSA-N
HMDB53053,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,38,42,44-45,47,51,54,64H,4-7,9-10,12-16,19,22-24,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-/t64-/m0/s1",PVFWSYFRJATXJW,CIFJDXGLSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PVFWSYFRJATXJW-CIFJDXGLSA-N
HMDB53054,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,35,41,44,61H,4-17,19-20,22-24,26,29-34,36-40,42-43,45-60H2,1-3H3/b21-18-,28-25-,35-27-,44-41-/t61-/m1/s1",MRTCVGSSQXQTAY,LBUQORGQSA,N,"TG(18:3(6Z,9Z,12Z)/24:1(15Z)/o-18:0)",MRTCVGSSQXQTAY-LBUQORGQSA-N
HMDB53055,874.705040747,C57H94O6,[H]C(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-35,37-38,54H,4-15,22-24,31-33,36,39-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-",SMCANYRCIGNWLA,LHFHLTMTSA,N,"TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",SMCANYRCIGNWLA-LHFHLTMTSA-N
HMDB53056,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-31,36,39,56H,4-15,22-24,29,32-35,37-38,40-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m0/s1",LJRDCFABOGLVES,DTUXPEAESA,N,"TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/20:2n6)",LJRDCFABOGLVES-DTUXPEAESA-N
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HMDB53252,894.804026513,C59H106O5,[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31,37,40,57H,4-15,17,20,22-24,26,29-30,32-36,38-39,41-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,40-37-/t57-/m0/s1",APCQPASIXYPXAO,QHRPSBPLSA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/20:2n6)",APCQPASIXYPXAO-QHRPSBPLSA-N
HMDB53253,892.788376449,C59H104O5,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,35,37,40,57H,4-15,17,20,22-24,26,29-30,33-34,36,38-39,41-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,35-32-,40-37-/t57-/m0/s1",JXHNQDMCXKKQFT,SVGZQEDLSA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/20:3n6)",JXHNQDMCXKKQFT-SVGZQEDLSA-N
HMDB53254,890.772726384,C59H102O5,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,35,37,40-41,44,57H,4-15,17,20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-/t57-/m0/s1",SQHLWSYGJZVYRY,JHALNDTGSA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))",SQHLWSYGJZVYRY-JHALNDTGSA-N
HMDB53255,922.835326642,C61H110O5,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,33,39,42,59H,4-15,17,20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b19-16-,21-18-,28-25-,33-27-,42-39-/t59-/m0/s1",QERCSEKVUHECMV,LEOAATOPSA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/22:2(13Z,16Z))",QERCSEKVUHECMV-LEOAATOPSA-N
HMDB53256,918.804026513,C61H106O5,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,37,39-40,42,59H,4-15,17,20,22-24,26,29-30,34-36,38,41,43-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-/t59-/m0/s1",ZAOLFCGDNUPXMM,UMFWITDYSA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))",ZAOLFCGDNUPXMM-UMFWITDYSA-N
HMDB53257,916.788376449,C61H104O5,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,37,39-40,42,46,49,59H,4-15,17,20,22-24,26,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-/t59-/m0/s1",AVDJVSXOPCJFKP,DDUFRWGJSA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",AVDJVSXOPCJFKP-DDUFRWGJSA-N
HMDB53258,864.75707632,C57H100O5,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36,39,55H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-54H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-/t55-/m1/s1",NXNPZQXOBFGGQR,PLZDDUMISA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/18:3(9Z,12Z,15Z))",NXNPZQXOBFGGQR-PLZDDUMISA-N
HMDB53259,862.741426256,C57H98O5,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,35-36,38-39,55H,4-7,9-10,12-16,19,22-25,28,31-34,37,40-54H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,39-36-/t55-/m1/s1",FRUNWUOPDVPMJB,DQAYVKSASA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",FRUNWUOPDVPMJB-DQAYVKSASA-N
HMDB53260,890.772726384,C59H102O5,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-32,35,37,40,57H,4-6,8-9,11-15,17,20,22-24,26,29-30,33-34,36,38-39,41-56H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-/t57-/m0/s1",LFJLUZNERQDQOV,URKSRTALSA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",LFJLUZNERQDQOV-URKSRTALSA-N
HMDB53261,888.75707632,C59H100O5,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-32,35,37,40-41,44,57H,4-6,8-9,11-15,17,20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-/t57-/m0/s1",MJZMKPHDIJSGEN,PEAAQMPQSA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",MJZMKPHDIJSGEN-PEAAQMPQSA-N
HMDB53262,916.788376449,C61H104O5,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,39-40,42,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38,41,43-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-/t59-/m0/s1",HAWIQEOOHWVWNC,GERPBGOLSA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",HAWIQEOOHWVWNC-GERPBGOLSA-N
HMDB53263,914.772726384,C61H102O5,[H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,39-40,42,46,49,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-/t59-/m0/s1",BRCZIJDRJSBEAA,UXOOMVIRSA,N,"TG(18:3(6Z,9Z,12Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BRCZIJDRJSBEAA-UXOOMVIRSA-N
HMDB53264,882.767641004,C57H102O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,54H,4-15,18,21-23,28-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-",ANTOAERGFNUGHV,ZBTSZJFVSA,N,TG(20:2n6/14:0/20:2n6),ANTOAERGFNUGHV-ZBTSZJFVSA-N
HMDB53265,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30,32,54H,4-15,18,21-23,28-29,31,33-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-/t54-/m1/s1",ZMSZKZQYJMFYOM,GNQIMEJDSA,N,TG(20:2n6/14:0/20:3n6),ZMSZKZQYJMFYOM-GNQIMEJDSA-N
HMDB53266,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30,32,37,40,54H,4-15,18,21-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,40-37-/t54-/m1/s1",DHPGQKYYUBBNBO,VKHHJPKQSA,N,"TG(20:2n6/14:0/20:4(5Z,8Z,11Z,14Z))",DHPGQKYYUBBNBO-VKHHJPKQSA-N
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HMDB53268,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,35,38,56H,4-15,18,21-23,28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",JTQRKGBUUFOOLE,VHKDZXLCSA,N,"TG(20:2n6/14:0/22:4(7Z,10Z,13Z,16Z))",JTQRKGBUUFOOLE-VHKDZXLCSA-N
HMDB53269,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,35,38,43,46,56H,4-15,18,21-23,28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,38-35-,46-43-/t56-/m0/s1",NSYHIMGCHKMGAQ,RMZGMDAXSA,N,"TG(20:2n6/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",NSYHIMGCHKMGAQ-RMZGMDAXSA-N
HMDB53270,852.720690811,C55H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28,52H,4-7,9-10,12-15,18,21-23,27,29-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-/t52-/m1/s1",YDUDDRNPXONNIT,QXZBKNQSSA,N,"TG(20:2n6/14:0/18:3(9Z,12Z,15Z))",YDUDDRNPXONNIT-QXZBKNQSSA-N
HMDB53271,850.705040747,C55H94O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28,33,35,52H,4-7,9-10,12-15,18,21-23,27,29-32,34,36-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,35-33-/t52-/m1/s1",FKUCPHALVMFTAR,KQTRXRHSSA,N,"TG(20:2n6/14:0/18:4(6Z,9Z,12Z,15Z))",FKUCPHALVMFTAR-KQTRXRHSSA-N
HMDB53272,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30,32,54H,4-6,8-9,11-15,18,21-23,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-/t54-/m1/s1",JPSOZBMZABKIOI,KNPVZPSJSA,N,"TG(20:2n6/14:0/20:4(8Z,11Z,14Z,17Z))",JPSOZBMZABKIOI-KNPVZPSJSA-N
HMDB53273,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30,32,37,40,54H,4-6,8-9,11-15,18,21-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,40-37-/t54-/m1/s1",GHQZJQOFYZUXDW,LZLUBDGPSA,N,"TG(20:2n6/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",GHQZJQOFYZUXDW-LZLUBDGPSA-N
HMDB53274,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,35,38,56H,4-6,8-9,11-15,18,21-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1",KVFDYWOWDAYOSL,ZFQBWORJSA,N,"TG(20:2n6/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",KVFDYWOWDAYOSL-ZFQBWORJSA-N
HMDB53275,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,35,38,43,46,56H,4-6,8-9,11-15,18,21-23,28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,38-35-,46-43-/t56-/m0/s1",QDXYSTCFQUZYTA,MRQMTNEQSA,N,"TG(20:2n6/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QDXYSTCFQUZYTA-MRQMTNEQSA-N
HMDB53276,844.788376449,C55H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,53H,4-15,17-18,20-23,25,27-52H2,1-3H3/b19-16-,26-24-/t53-/m1/s1",OUXJLORECLAIFS,RBIUUXPJSA,N,TG(20:2n6/14:0/o-18:0),OUXJLORECLAIFS-RBIUUXPJSA-N
HMDB53277,896.783291069,C58H104O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,55H,4-15,18,21-24,29-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-",FTPNNFMDJNYTOR,YBQWMRSQSA,N,TG(20:2n6/15:0/20:2n6),FTPNNFMDJNYTOR-YBQWMRSQSA-N
HMDB53278,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,55H,4-15,18,21-24,29-30,32,34-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-/t55-/m1/s1",RNZBHYPOJUDBQC,YWYLTGRISA,N,TG(20:2n6/15:0/20:3n6),RNZBHYPOJUDBQC-YWYLTGRISA-N
HMDB53279,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,38,41,55H,4-15,18,21-24,29-30,32,34-37,39-40,42-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,41-38-/t55-/m1/s1",DDJYUJPIRKJLBH,XUGHRRMOSA,N,"TG(20:2n6/15:0/20:4(5Z,8Z,11Z,14Z))",DDJYUJPIRKJLBH-XUGHRRMOSA-N
HMDB53280,924.814591198,C60H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,57H,4-15,18,21-24,29-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t57-/m0/s1",UHXVYNWMSQYBKC,UMRGSKBISA,N,"TG(20:2n6/15:0/22:2(13Z,16Z))",UHXVYNWMSQYBKC-UMRGSKBISA-N
HMDB53281,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,36,39,57H,4-15,18,21-24,29,31,33-35,37-38,40-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,39-36-/t57-/m0/s1",NWOLJALSYRNQOS,PKBLFXTLSA,N,"TG(20:2n6/15:0/22:4(7Z,10Z,13Z,16Z))",NWOLJALSYRNQOS-PKBLFXTLSA-N
HMDB53282,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,36,39,44,47,57H,4-15,18,21-24,29,31,33-35,37-38,40-43,45-46,48-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,39-36-,47-44-/t57-/m0/s1",MDKUGPDJBZYZJR,CAPAOAOGSA,N,"TG(20:2n6/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",MDKUGPDJBZYZJR-CAPAOAOGSA-N
HMDB53283,866.736340876,C56H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,53H,4-7,9-10,12-15,18,21-24,28,30-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-/t53-/m1/s1",GCPSZUVDFIITIX,XEZWFYPASA,N,"TG(20:2n6/15:0/18:3(9Z,12Z,15Z))",GCPSZUVDFIITIX-XEZWFYPASA-N
HMDB53284,864.720690811,C56H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,34,36,53H,4-7,9-10,12-15,18,21-24,28,30-33,35,37-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,36-34-/t53-/m1/s1",FEIFKGVYWSZPNC,SEEFZZCVSA,N,"TG(20:2n6/15:0/18:4(6Z,9Z,12Z,15Z))",FEIFKGVYWSZPNC-SEEFZZCVSA-N
HMDB53285,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,55H,4-6,8-9,11-15,18,21-24,29-30,32,34-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-/t55-/m1/s1",JXFXFEIQWZXYFK,LWUZRGPDSA,N,"TG(20:2n6/15:0/20:4(8Z,11Z,14Z,17Z))",JXFXFEIQWZXYFK-LWUZRGPDSA-N
HMDB53286,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,41,55H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39-40,42-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,41-38-/t55-/m1/s1",PCEDIWDWHUOISR,UUZZMCLESA,N,"TG(20:2n6/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",PCEDIWDWHUOISR-UUZZMCLESA-N
HMDB53287,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,36,39,57H,4-6,8-9,11-15,18,21-24,29,31,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,39-36-/t57-/m0/s1",YXKIQDXCHKIXSG,PTTPEOKTSA,N,"TG(20:2n6/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",YXKIQDXCHKIXSG-PTTPEOKTSA-N
HMDB53288,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,36,39,44,47,57H,4-6,8-9,11-15,18,21-24,29,31,33-35,37-38,40-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,39-36-,47-44-/t57-/m0/s1",NXRPZLFRGPNPOY,ZTZYOXOQSA,N,"TG(20:2n6/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NXRPZLFRGPNPOY-ZTZYOXOQSA-N
HMDB53289,858.804026513,C56H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,54H,4-15,17-18,20-24,26,28-53H2,1-3H3/b19-16-,27-25-/t54-/m1/s1",WPUOGXGVBSFVOP,SPSCBPQESA,N,TG(20:2n6/15:0/o-18:0),WPUOGXGVBSFVOP-SPSCBPQESA-N
HMDB53290,910.798941133,C59H106O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,56H,4-15,18,21-24,29-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-",MTKREBVKXJWDEC,YBQWMRSQSA,N,TG(20:2n6/16:0/20:2n6),MTKREBVKXJWDEC-YBQWMRSQSA-N
HMDB53291,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,34,56H,4-15,18,21-24,29-30,32-33,35-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-/t56-/m1/s1",SFZSCNHVZNIBKE,YMEFLARDSA,N,TG(20:2n6/16:0/20:3n6),SFZSCNHVZNIBKE-YMEFLARDSA-N
HMDB53292,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,34,39,42,56H,4-15,18,21-24,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,42-39-/t56-/m1/s1",KLOMQEKTCIKFBP,RIUBWDSYSA,N,"TG(20:2n6/16:0/20:4(5Z,8Z,11Z,14Z))",KLOMQEKTCIKFBP-RIUBWDSYSA-N
HMDB53293,938.830241262,C61H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,58H,4-15,18,21-24,29-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t58-/m0/s1",HZEWLUFXEAGEHA,FASPCYNWSA,N,"TG(20:2n6/16:0/22:2(13Z,16Z))",HZEWLUFXEAGEHA-FASPCYNWSA-N
HMDB53294,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,37,39,58H,4-15,18,21-24,29,31,33-36,38,40-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,39-37-/t58-/m0/s1",CCDYOOUYQUBKLR,ZAXRQEKOSA,N,"TG(20:2n6/16:0/22:4(7Z,10Z,13Z,16Z))",CCDYOOUYQUBKLR-ZAXRQEKOSA-N
HMDB53295,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,37,39,45,48,58H,4-15,18,21-24,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,39-37-,48-45-/t58-/m0/s1",QVFGMQOWUZITBZ,PVHCVFOUSA,N,"TG(20:2n6/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",QVFGMQOWUZITBZ-PVHCVFOUSA-N
HMDB53296,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,54H,4-7,9-10,12-15,18,21-24,28,30-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-/t54-/m1/s1",WCWOBBHQCJULDM,CYNWPRIGSA,N,"TG(20:2n6/16:0/18:3(9Z,12Z,15Z))",WCWOBBHQCJULDM-CYNWPRIGSA-N
HMDB53297,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,34,37,54H,4-7,9-10,12-15,18,21-24,28,30-33,35-36,38-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,37-34-/t54-/m1/s1",YQRWXVVZHPCOJU,UMUNYTCJSA,N,"TG(20:2n6/16:0/18:4(6Z,9Z,12Z,15Z))",YQRWXVVZHPCOJU-UMUNYTCJSA-N
HMDB53298,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,34,56H,4-6,8-9,11-15,18,21-24,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-/t56-/m1/s1",QEGGYDIAGOLAJE,PHRJODNKSA,N,"TG(20:2n6/16:0/20:4(8Z,11Z,14Z,17Z))",QEGGYDIAGOLAJE-PHRJODNKSA-N
HMDB53299,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,34,39,42,56H,4-6,8-9,11-15,18,21-24,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,42-39-/t56-/m1/s1",IYLFEXKXEYVMDG,QRZIGGKVSA,N,"TG(20:2n6/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",IYLFEXKXEYVMDG-QRZIGGKVSA-N
HMDB53300,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,37,39,58H,4-6,8-9,11-15,18,21-24,29,31,33-36,38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,39-37-/t58-/m0/s1",JVFGQXABYTXFGR,VFUOXLKTSA,N,"TG(20:2n6/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",JVFGQXABYTXFGR-VFUOXLKTSA-N
HMDB53301,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,37,39,45,48,58H,4-6,8-9,11-15,18,21-24,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,39-37-,48-45-/t58-/m0/s1",SKXPMTUNBQJQEN,HOYPHCJDSA,N,"TG(20:2n6/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SKXPMTUNBQJQEN-HOYPHCJDSA-N
HMDB53302,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-/t55-/m1/s1",OYTWCWPYUBSFDR,RLIOHNKCSA,N,TG(20:2n6/16:0/o-18:0),OYTWCWPYUBSFDR-RLIOHNKCSA-N
HMDB53303,938.830241262,C61H110O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,58H,4-15,18,21-24,27,30-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-",ZEKYFQBFJWUBSX,XEUHHCTMSA,N,TG(20:2n6/18:0/20:2n6),ZEKYFQBFJWUBSX-XEUHHCTMSA-N
HMDB53304,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,58H,4-15,18,21-24,27,30-32,34,36-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-/t58-/m1/s1",ICRGETWUZFSMJE,VELMACPRSA,N,TG(20:2n6/18:0/20:3n6),ICRGETWUZFSMJE-VELMACPRSA-N
HMDB53305,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,41,44,58H,4-15,18,21-24,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,44-41-/t58-/m1/s1",FHDZRHXBIQHXNI,GKDBXXSVSA,N,"TG(20:2n6/18:0/20:4(5Z,8Z,11Z,14Z))",FHDZRHXBIQHXNI-GKDBXXSVSA-N
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HMDB53309,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30,56H,4-7,9-10,12-15,18,21-24,27,29,31-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-/t56-/m1/s1",ACFGJVGGWHPWNV,WKHAEVMHSA,N,"TG(20:2n6/18:0/18:3(9Z,12Z,15Z))",ACFGJVGGWHPWNV-WKHAEVMHSA-N
HMDB53310,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30,36,39,56H,4-7,9-10,12-15,18,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,39-36-/t56-/m1/s1",WFCUIGSXQCPZCG,WWVGTPLTSA,N,"TG(20:2n6/18:0/18:4(6Z,9Z,12Z,15Z))",WFCUIGSXQCPZCG-WWVGTPLTSA-N
HMDB53311,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,35,58H,4-6,8-9,11-15,18,21-24,27,30-32,34,36-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-/t58-/m1/s1",VKWVQYFQQKOMGR,GWDWINIASA,N,"TG(20:2n6/18:0/20:4(8Z,11Z,14Z,17Z))",VKWVQYFQQKOMGR-GWDWINIASA-N
HMDB53312,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,35,41,44,58H,4-6,8-9,11-15,18,21-24,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,44-41-/t58-/m1/s1",ANUPZUVGAZDQOY,JLNOQNKBSA,N,"TG(20:2n6/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",ANUPZUVGAZDQOY-JLNOQNKBSA-N
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HMDB53317,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,60H,4-15,18,21-24,27,30-33,35-36,38-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-/t60-/m1/s1",CDUVBPWCCZLKBZ,ONWMJXMESA,N,TG(20:2n6/20:0/20:3n6),CDUVBPWCCZLKBZ-ONWMJXMESA-N
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HMDB53320,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,35,40,43,62H,4-15,18,21-24,27,30-31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,43-40-/t62-/m0/s1",XMOUJNLGEAPVPE,FULIUWNYSA,N,"TG(20:2n6/20:0/22:4(7Z,10Z,13Z,16Z))",XMOUJNLGEAPVPE-FULIUWNYSA-N
HMDB53321,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,35,40,43,49,52,62H,4-15,18,21-24,27,30-31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,43-40-,52-49-/t62-/m0/s1",VZHNQDCLRLEBKB,MOWGYVCNSA,N,"TG(20:2n6/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",VZHNQDCLRLEBKB-MOWGYVCNSA-N
HMDB53322,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,33-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-/t58-/m1/s1",ZQBBWQHCPIBCOS,FSFPCLBLSA,N,"TG(20:2n6/20:0/18:3(9Z,12Z,15Z))",ZQBBWQHCPIBCOS-FSFPCLBLSA-N
HMDB53323,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,38,41,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,33-37,39-40,42-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,41-38-/t58-/m1/s1",TZUGKFJCHDOGJC,KNPIETRISA,N,"TG(20:2n6/20:0/18:4(6Z,9Z,12Z,15Z))",TZUGKFJCHDOGJC-KNPIETRISA-N
HMDB53324,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34,37,60H,4-6,8-9,11-15,18,21-24,27,30-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-/t60-/m1/s1",AAARRLVSWMMLIL,JFDCHTIYSA,N,"TG(20:2n6/20:0/20:4(8Z,11Z,14Z,17Z))",AAARRLVSWMMLIL-JFDCHTIYSA-N
HMDB53325,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34,37,43,46,60H,4-6,8-9,11-15,18,21-24,27,30-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,46-43-/t60-/m1/s1",AWRWMZWZLSBXRG,ZUXPBIQUSA,N,"TG(20:2n6/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",AWRWMZWZLSBXRG-ZUXPBIQUSA-N
HMDB53326,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,35,40,43,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,43-40-/t62-/m0/s1",UQAUCJJSIWDXNO,KQFDQMPISA,N,"TG(20:2n6/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",UQAUCJJSIWDXNO-KQFDQMPISA-N
HMDB53327,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,35,40,43,49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,43-40-,52-49-/t62-/m0/s1",UARADHRYGVCLMD,HOFWBEKTSA,N,"TG(20:2n6/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UARADHRYGVCLMD-HOFWBEKTSA-N
HMDB53328,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,59H,4-15,17-18,20-24,26-27,29-58H2,1-3H3/b19-16-,28-25-/t59-/m1/s1",REPZHTARFKJLGK,UWVPRLFQSA,N,TG(20:2n6/20:0/o-18:0),REPZHTARFKJLGK-UWVPRLFQSA-N
HMDB53329,994.89284152,C65H118O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,62H,4-16,19,22-25,28,31-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-",CMKRAALNUFZTPE,FTHRAJORSA,N,TG(20:2n6/22:0/20:2n6),CMKRAALNUFZTPE-FTHRAJORSA-N
HMDB53330,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36,39,62H,4-16,19,22-25,28,31-35,37-38,40-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-/t62-/m1/s1",BPOAOTCAUARPEV,OTAXIRAPSA,N,TG(20:2n6/22:0/20:3n6),BPOAOTCAUARPEV-OTAXIRAPSA-N
HMDB53331,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36,39,45,48,62H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",JXSMGBVDFUUOPR,UCDSZMBPSA,N,"TG(20:2n6/22:0/20:4(5Z,8Z,11Z,14Z))",JXSMGBVDFUUOPR-UCDSZMBPSA-N
HMDB53332,1022.924141648,C67H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,64H,4-15,17,20,22-24,26,29,31-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-/t64-/m0/s1",DEHYKSWEOAURMD,MAXXCUEHSA,N,"TG(20:2n6/22:0/22:2(13Z,16Z))",DEHYKSWEOAURMD-MAXXCUEHSA-N
HMDB53333,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,42,45,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,45-42-/t64-/m0/s1",VBSJORRINJKEBB,NBDZICQKSA,N,"TG(20:2n6/22:0/22:4(7Z,10Z,13Z,16Z))",VBSJORRINJKEBB-NBDZICQKSA-N
HMDB53334,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,42,45,51,54,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",DAVDQMHHISYAGU,YWSJQOGASA,N,"TG(20:2n6/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",DAVDQMHHISYAGU-YWSJQOGASA-N
HMDB53335,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,60H,4-8,10-11,13-16,19,22-25,28,30-33,35-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-/t60-/m1/s1",JQHWRRJYPOHAKD,QZHYZABFSA,N,"TG(20:2n6/22:0/18:3(9Z,12Z,15Z))",JQHWRRJYPOHAKD-QZHYZABFSA-N
HMDB53336,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,40,43,60H,4-8,10-11,13-16,19,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,43-40-/t60-/m1/s1",XOYMYYRTVUGSGP,GRCDQXJASA,N,"TG(20:2n6/22:0/18:4(6Z,9Z,12Z,15Z))",XOYMYYRTVUGSGP-GRCDQXJASA-N
HMDB53337,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36,39,62H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-/t62-/m1/s1",GSVRTOWTMNPTFC,HWVHWWMYSA,N,"TG(20:2n6/22:0/20:4(8Z,11Z,14Z,17Z))",GSVRTOWTMNPTFC-HWVHWWMYSA-N
HMDB53338,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36,39,45,48,62H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",XKPYGMPMASKFLE,ADAMCCPRSA,N,"TG(20:2n6/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",XKPYGMPMASKFLE-ADAMCCPRSA-N
HMDB53339,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,42,45,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,45-42-/t64-/m0/s1",XCYHMSRBRPCCLX,TVUNWSFZSA,N,"TG(20:2n6/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",XCYHMSRBRPCCLX-TVUNWSFZSA-N
HMDB53340,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,42,45,51,54,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",YVQXAJNSMJDRIF,DOLKQBPYSA,N,"TG(20:2n6/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YVQXAJNSMJDRIF-DOLKQBPYSA-N
HMDB53341,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,61H,4-16,18-19,21-25,27-28,30-60H2,1-3H3/b20-17-,29-26-/t61-/m1/s1",DZWPMQPSPOGAGG,YAGAPKITSA,N,TG(20:2n6/22:0/o-18:0),DZWPMQPSPOGAGG-YAGAPKITSA-N
HMDB53342,1022.924141648,C67H122O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,64H,4-16,19,22-25,28,31-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-",GLDOGPDAUSBGPV,FTHRAJORSA,N,TG(20:2n6/24:0/20:2n6),GLDOGPDAUSBGPV-FTHRAJORSA-N
HMDB53343,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,38,41,64H,4-16,19,22-25,28,31-37,39-40,42-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-/t64-/m1/s1",TWRKQOAPKGRVSQ,BRGMQILDSA,N,TG(20:2n6/24:0/20:3n6),TWRKQOAPKGRVSQ-BRGMQILDSA-N
HMDB53344,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,38,41,47,50,64H,4-16,19,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",BJIXXYAXNRMORT,JXMGTDGLSA,N,"TG(20:2n6/24:0/20:4(5Z,8Z,11Z,14Z))",BJIXXYAXNRMORT-JXMGTDGLSA-N
HMDB53345,1050.955441777,C69H126O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,66H,4-16,19,22-25,28,31-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-/t66-/m0/s1",PORAXNCGWGPFLB,UCHNPGQSSA,N,"TG(20:2n6/24:0/22:2(13Z,16Z))",PORAXNCGWGPFLB-UCHNPGQSSA-N
HMDB53346,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,44,47,66H,4-16,19,22-25,28,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,47-44-/t66-/m0/s1",UFCXLJLCGMVWTF,NMTKAVHXSA,N,"TG(20:2n6/24:0/22:4(7Z,10Z,13Z,16Z))",UFCXLJLCGMVWTF-NMTKAVHXSA-N
HMDB53347,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,44,47,53,56,66H,4-16,19,22-25,28,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,47-44-,56-53-/t66-/m0/s1",NYZNLVMGVVOEPC,NETXATBXSA,N,"TG(20:2n6/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",NYZNLVMGVVOEPC-NETXATBXSA-N
HMDB53348,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-/t62-/m1/s1",QRYZPQKJXUGGJK,DJZXHQQYSA,N,"TG(20:2n6/24:0/18:3(9Z,12Z,15Z))",QRYZPQKJXUGGJK-DJZXHQQYSA-N
HMDB53349,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,42,45,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,45-42-/t62-/m1/s1",NYAVDRQSEKPRCN,FXPZSYMKSA,N,"TG(20:2n6/24:0/18:4(6Z,9Z,12Z,15Z))",NYAVDRQSEKPRCN-FXPZSYMKSA-N
HMDB53350,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,38,41,64H,4-7,9-10,12-16,19,22-25,28,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-/t64-/m1/s1",FRYJORBHZYDHTJ,HNCQBEKYSA,N,"TG(20:2n6/24:0/20:4(8Z,11Z,14Z,17Z))",FRYJORBHZYDHTJ-HNCQBEKYSA-N
HMDB53351,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,38,41,47,50,64H,4-7,9-10,12-16,19,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",IAZWGAWHPYLQDA,JYYNHFOJSA,N,"TG(20:2n6/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",IAZWGAWHPYLQDA-JYYNHFOJSA-N
HMDB53352,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,44,47,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,47-44-/t66-/m0/s1",XGWHVOSXTJFBAX,YLOORKFXSA,N,"TG(20:2n6/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",XGWHVOSXTJFBAX-YLOORKFXSA-N
HMDB53353,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,44,47,53,56,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,47-44-,56-53-/t66-/m0/s1",OXSBGFOWAPFYFY,VIAWWHMASA,N,"TG(20:2n6/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OXSBGFOWAPFYFY-VIAWWHMASA-N
HMDB53354,984.944877093,C65H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,63H,4-16,18-19,21-25,27-28,30-62H2,1-3H3/b20-17-,29-26-/t63-/m1/s1",PSYISPHWCIIIDF,URTCAEPCSA,N,TG(20:2n6/24:0/o-18:0),PSYISPHWCIIIDF-URTCAEPCSA-N
HMDB53355,880.75199094,C57H100O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,54H,4-14,21-23,28-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-",JOUMXYIISHXANV,RWBIAYFFSA,N,TG(20:2n6/14:1(9Z)/20:2n6),JOUMXYIISHXANV-RWBIAYFFSA-N
HMDB53356,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30,32,54H,4-14,21-23,28-29,31,33-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-/t54-/m1/s1",DBHBMNGFPWMXFE,NKVDYPCKSA,N,TG(20:2n6/14:1(9Z)/20:3n6),DBHBMNGFPWMXFE-NKVDYPCKSA-N
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HMDB53375,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29,34,37,54H,4-7,9-10,12-15,18,22-23,28,30-33,35-36,38-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,37-34-/t54-/m1/s1",UZASWWZMQWHPMB,WYRIXQAXSA,N,"TG(20:2n6/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",UZASWWZMQWHPMB-WYRIXQAXSA-N
HMDB53376,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31,34,56H,4-6,8-9,11-15,18,22-23,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-/t56-/m1/s1",RJQFBFQDJHAMHF,RAZUZERGSA,N,"TG(20:2n6/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",RJQFBFQDJHAMHF-RAZUZERGSA-N
HMDB53377,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31,34,39,42,56H,4-6,8-9,11-15,18,22-23,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,42-39-/t56-/m1/s1",PTXMQXGKKZZWBU,CWGUPRRESA,N,"TG(20:2n6/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PTXMQXGKKZZWBU-CWGUPRRESA-N
HMDB53378,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32,37,39,58H,4-6,8-9,11-15,18,22-23,29,31,33-36,38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,39-37-/t58-/m0/s1",FRDGYXLPFVVVPI,NMDXAGSMSA,N,"TG(20:2n6/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FRDGYXLPFVVVPI-NMDXAGSMSA-N
HMDB53379,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32,37,39,45,48,58H,4-6,8-9,11-15,18,22-23,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,39-37-,48-45-/t58-/m0/s1",XTAVUHNYEPJGQE,LOQOJVOMSA,N,"TG(20:2n6/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XTAVUHNYEPJGQE-LOQOJVOMSA-N
HMDB53380,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,55H,4-15,17-18,20,22-23,26,28-54H2,1-3H3/b19-16-,24-21-,27-25-/t55-/m1/s1",IYSQDSJAZVXCDU,HPLDLCQESA,N,TG(20:2n6/16:1(9Z)/o-18:0),IYSQDSJAZVXCDU-HPLDLCQESA-N
HMDB53381,936.814591198,C61H108O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,58H,4-15,18,22-23,27,30-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-",IDAZRUUKJGRNFZ,LNZLXKATSA,N,TG(20:2n6/18:1(11Z)/20:2n6),IDAZRUUKJGRNFZ-LNZLXKATSA-N
HMDB53382,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33,35,58H,4-15,18,22-23,27,30-32,34,36-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-/t58-/m1/s1",CZPPEEUOAHDNET,LWYWJZFGSA,N,TG(20:2n6/18:1(11Z)/20:3n6),CZPPEEUOAHDNET-LWYWJZFGSA-N
HMDB53383,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33,35,41,44,58H,4-15,18,22-23,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-/t58-/m1/s1",QTMZZZUMNNBHQR,RRXLCNCISA,N,"TG(20:2n6/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",QTMZZZUMNNBHQR-RRXLCNCISA-N
HMDB53384,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,60H,4-15,18,22-23,27,30-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-/t60-/m0/s1",NOLCSFQLXSPJBG,DOYZNESKSA,N,"TG(20:2n6/18:1(11Z)/22:2(13Z,16Z))",NOLCSFQLXSPJBG-DOYZNESKSA-N
HMDB53385,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,38,41,60H,4-15,18,22-23,27,30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",BKFHUAQUXYRTHI,LCAXITJASA,N,"TG(20:2n6/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",BKFHUAQUXYRTHI-LCAXITJASA-N
HMDB53386,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,38,41,47,50,60H,4-15,18,22-23,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,41-38-,50-47-/t60-/m0/s1",ULRJOCSDJZFMFY,ZJWVVZHGSA,N,"TG(20:2n6/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ULRJOCSDJZFMFY-ZJWVVZHGSA-N
HMDB53387,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30,56H,4-7,9-10,12-15,18,22-23,27,29,31-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-/t56-/m1/s1",CCWWPZFCGCULMA,ISTVBXQOSA,N,"TG(20:2n6/18:1(11Z)/18:3(9Z,12Z,15Z))",CCWWPZFCGCULMA-ISTVBXQOSA-N
HMDB53388,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30,36,39,56H,4-7,9-10,12-15,18,22-23,27,29,31-35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,39-36-/t56-/m1/s1",AFNSVJSZNBTQOD,NSHPZDJXSA,N,"TG(20:2n6/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",AFNSVJSZNBTQOD-NSHPZDJXSA-N
HMDB53389,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33,35,58H,4-6,8-9,11-15,18,22-23,27,30-32,34,36-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-/t58-/m1/s1",JBHBIQVJHPDFQR,BVMABDPESA,N,"TG(20:2n6/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",JBHBIQVJHPDFQR-BVMABDPESA-N
HMDB53390,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33,35,41,44,58H,4-6,8-9,11-15,18,22-23,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-/t58-/m1/s1",LJBRMTXPWYFBOB,SDZVBOLWSA,N,"TG(20:2n6/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LJBRMTXPWYFBOB-SDZVBOLWSA-N
HMDB53391,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,38,41,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1",RWRADNFFPOHHEA,UNEUZNPLSA,N,"TG(20:2n6/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RWRADNFFPOHHEA-UNEUZNPLSA-N
HMDB53392,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,38,41,47,50,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,41-38-,50-47-/t60-/m0/s1",YOEYZADNHRXJJT,WBBOMUOZSA,N,"TG(20:2n6/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YOEYZADNHRXJJT-WBBOMUOZSA-N
HMDB53393,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,57H,4-15,17-18,20,22-23,26-27,29-56H2,1-3H3/b19-16-,24-21-,28-25-/t57-/m1/s1",PIYHHLWOIASEDK,LCHONZHSSA,N,TG(20:2n6/18:1(11Z)/o-18:0),PIYHHLWOIASEDK-LCHONZHSSA-N
HMDB53394,936.814591198,C61H108O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32,58H,4-15,18,21-24,30-31,33-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-",TVSKNLNCPSERAK,PEOFOCDHSA,N,TG(20:2n6/18:1(9Z)/20:2n6),TVSKNLNCPSERAK-PEOFOCDHSA-N
HMDB53395,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-33,35,58H,4-15,18,21-24,30-31,34,36-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,35-33-/t58-/m1/s1",DCTUISKGMUUHTE,GFIKFKAZSA,N,TG(20:2n6/18:1(9Z)/20:3n6),DCTUISKGMUUHTE-GFIKFKAZSA-N
HMDB53396,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-33,35,41,44,58H,4-15,18,21-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",FLYCAQNUNWYDIH,CQIRDPSJSA,N,"TG(20:2n6/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",FLYCAQNUNWYDIH-CQIRDPSJSA-N
HMDB53397,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34,60H,4-15,18,21-24,30-33,35-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-/t60-/m0/s1",PRNZTHLFVCDZAV,SFKXYMDKSA,N,"TG(20:2n6/18:1(9Z)/22:2(13Z,16Z))",PRNZTHLFVCDZAV-SFKXYMDKSA-N
HMDB53398,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-34,38,41,60H,4-15,18,21-24,30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",PSBTWUKXVFWXHZ,ZHDLHADMSA,N,"TG(20:2n6/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",PSBTWUKXVFWXHZ-ZHDLHADMSA-N
HMDB53399,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-34,38,41,47,50,60H,4-15,18,21-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",LZZJAKQUDMTSMD,VRHRGAFOSA,N,"TG(20:2n6/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LZZJAKQUDMTSMD-VRHRGAFOSA-N
HMDB53400,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-31,56H,4-7,9-10,12-15,18,21-24,29,32-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-/t56-/m1/s1",GISIRRQAWXRIDV,HAYMLEFJSA,N,"TG(20:2n6/18:1(9Z)/18:3(9Z,12Z,15Z))",GISIRRQAWXRIDV-HAYMLEFJSA-N
HMDB53401,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-31,36,39,56H,4-7,9-10,12-15,18,21-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",XQBOVKNNRIAYQF,DITYNTRJSA,N,"TG(20:2n6/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",XQBOVKNNRIAYQF-DITYNTRJSA-N
HMDB53402,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-33,35,58H,4-6,8-9,11-15,18,21-24,30-31,34,36-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-/t58-/m1/s1",GCKZDPYRILNLPA,DXTRHOPWSA,N,"TG(20:2n6/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",GCKZDPYRILNLPA-DXTRHOPWSA-N
HMDB53403,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-33,35,41,44,58H,4-6,8-9,11-15,18,21-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",SPXNMAYRZYKDOA,VEMHJOOBSA,N,"TG(20:2n6/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SPXNMAYRZYKDOA-VEMHJOOBSA-N
HMDB53404,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-34,38,41,60H,4-6,8-9,11-15,18,21-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",QKUJSLKNYNFMCG,WAOWULNYSA,N,"TG(20:2n6/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QKUJSLKNYNFMCG-WAOWULNYSA-N
HMDB53405,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,18,21-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",GAWBNAJJRJBPMU,WSUSZCAPSA,N,"TG(20:2n6/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GAWBNAJJRJBPMU-WSUSZCAPSA-N
HMDB53406,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31,57H,4-15,17-18,20-24,26,29-30,32-56H2,1-3H3/b19-16-,28-25-,31-27-/t57-/m1/s1",LRASENRWJPVFTK,QRXXIRFVSA,N,TG(20:2n6/18:1(9Z)/o-18:0),LRASENRWJPVFTK-QRXXIRFVSA-N
HMDB53407,964.845891326,C63H112O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,60H,4-15,18,21-24,31-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-",VLYQASCCDNGEQJ,GGDOOUPISA,N,TG(20:2n6/20:1(11Z)/20:2n6),VLYQASCCDNGEQJ-GGDOOUPISA-N
HMDB53408,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,60H,4-15,18,21-24,31-33,35-36,38-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-/t60-/m1/s1",BODCPTKZTGBALI,NBJGVIAESA,N,TG(20:2n6/20:1(11Z)/20:3n6),BODCPTKZTGBALI-NBJGVIAESA-N
HMDB53409,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,43,46,60H,4-15,18,21-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-/t60-/m1/s1",VHYQMMXBURDQGM,LPUDAQOPSA,N,"TG(20:2n6/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",VHYQMMXBURDQGM-LPUDAQOPSA-N
HMDB53410,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,62H,4-15,18,21-24,31-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-/t62-/m0/s1",VRBVCVIHVDPIBD,QOZBOKLSSA,N,"TG(20:2n6/20:1(11Z)/22:2(13Z,16Z))",VRBVCVIHVDPIBD-QOZBOKLSSA-N
HMDB53411,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35,40,43,62H,4-15,18,21-24,31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,43-40-/t62-/m0/s1",PXORQBDKUGOUSC,CJWMCFKSSA,N,"TG(20:2n6/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",PXORQBDKUGOUSC-CJWMCFKSSA-N
HMDB53412,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35,40,43,49,52,62H,4-15,18,21-24,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,43-40-,52-49-/t62-/m0/s1",UDFXJEYPSAJLCT,UXYSCNPUSA,N,"TG(20:2n6/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UDFXJEYPSAJLCT-UXYSCNPUSA-N
HMDB53413,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,58H,4-8,10-11,13-15,17,20,22-24,30-31,33-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-/t58-/m1/s1",ZFHXMAYTPKIVAT,QFTMBHFPSA,N,"TG(20:2n6/20:1(11Z)/18:3(9Z,12Z,15Z))",ZFHXMAYTPKIVAT-QFTMBHFPSA-N
HMDB53414,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,38,41,58H,4-8,10-11,13-15,17,20,22-24,30-31,33-37,39-40,42-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,41-38-/t58-/m1/s1",KHPVMTVJMLNKQF,XDDJPJIWSA,N,"TG(20:2n6/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",KHPVMTVJMLNKQF-XDDJPJIWSA-N
HMDB53415,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34,37,60H,4-6,8-9,11-15,18,21-24,31-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-/t60-/m1/s1",XKPOVTOYCUJELJ,YJEAXQLWSA,N,"TG(20:2n6/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",XKPOVTOYCUJELJ-YJEAXQLWSA-N
HMDB53416,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34,37,43,46,60H,4-6,8-9,11-15,18,21-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-/t60-/m1/s1",QJLUNEFXQRDKLC,MQNBCSLYSA,N,"TG(20:2n6/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QJLUNEFXQRDKLC-MQNBCSLYSA-N
HMDB53417,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35,40,43,62H,4-6,8-9,11-15,18,21-24,31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,43-40-/t62-/m0/s1",SRJGGQPPNGIYTR,IVDRUCGSSA,N,"TG(20:2n6/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SRJGGQPPNGIYTR-IVDRUCGSSA-N
HMDB53418,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35,40,43,49,52,62H,4-6,8-9,11-15,18,21-24,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,43-40-,52-49-/t62-/m0/s1",ILZCFLFLGJSYRS,SNKZCMKFSA,N,"TG(20:2n6/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ILZCFLFLGJSYRS-SNKZCMKFSA-N
HMDB53419,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,59H,4-15,17-18,20-24,27,30-58H2,1-3H3/b19-16-,28-25-,29-26-/t59-/m1/s1",INURSZUTYWHVKL,IUJIAQQVSA,N,TG(20:2n6/20:1(11Z)/o-18:0),INURSZUTYWHVKL-IUJIAQQVSA-N
HMDB53420,960.814591198,C63H108O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,36,39,45,48,60H,4-15,18,21-24,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-",HQHCUVMVVBAFFU,NLXGFBQESA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/20:2n6)",HQHCUVMVVBAFFU-NLXGFBQESA-N
HMDB53421,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,36-37,39,45,48,60H,4-15,18,21-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",LFYKWGODUKKZEK,PQJBSVHZSA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/20:3n6)",LFYKWGODUKKZEK-PQJBSVHZSA-N
HMDB53422,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,36-37,39,43,45-46,48,60H,4-15,18,21-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",SATBWAXPKBXLEF,NMJZXWEMSA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))",SATBWAXPKBXLEF-NMJZXWEMSA-N
HMDB53423,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,38,41,47,50,62H,4-15,18,21-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,41-38-,50-47-/t62-/m0/s1",BGJJPMZJHNZESB,LOCZIROOSA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",BGJJPMZJHNZESB-LOCZIROOSA-N
HMDB53424,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35,38,40-41,43,47,50,62H,4-15,18,21-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",GYDBZUPYQFZDPB,QCUWZVKMSA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",GYDBZUPYQFZDPB-QCUWZVKMSA-N
HMDB53425,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-15,18,21-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",UFOHYMCDLJHZJJ,FGFSEHGYSA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UFOHYMCDLJHZJJ-FGFSEHGYSA-N
HMDB53426,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,37,43,46,58H,4-8,10-11,13-15,17,20,22-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",TVBPXCZCXVAYMA,RKBOPPAGSA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",TVBPXCZCXVAYMA-RKBOPPAGSA-N
HMDB53427,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,37-38,41,43,46,58H,4-8,10-11,13-15,17,20,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",PXKIOXPMEWREKZ,IMYXQIRASA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",PXKIOXPMEWREKZ-IMYXQIRASA-N
HMDB53428,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34,36-37,39,45,48,60H,4-6,8-9,11-15,18,21-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",SXLSGVHVTGSALG,IDWIRJJXSA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",SXLSGVHVTGSALG-IDWIRJJXSA-N
HMDB53429,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34,36-37,39,43,45-46,48,60H,4-6,8-9,11-15,18,21-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",PNNSMRQLANHRDX,XBLZGWIDSA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PNNSMRQLANHRDX-XBLZGWIDSA-N
HMDB53430,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,18,21-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",DBGHNANTRGHYLV,QBXHASNGSA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DBGHNANTRGHYLV-QBXHASNGSA-N
HMDB53431,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8-9,11-15,18,21-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",LGZBYVCHRDGVGD,PDDMCSIKSA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LGZBYVCHRDGVGD-PDDMCSIKSA-N
HMDB53432,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,43,46,59H,4-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,46-43-/t59-/m1/s1",JXRLSFIUBOOVAM,FRVKUXNRSA,N,"TG(20:2n6/20:3(5Z,8Z,11Z)/o-18:0)",JXRLSFIUBOOVAM-FRVKUXNRSA-N
HMDB53433,992.877191455,C65H116O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,62H,4-16,19,22-24,31-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-",ZROJQIGGQATYBN,MVRVGECWSA,N,TG(20:2n6/22:1(13Z)/20:2n6),ZROJQIGGQATYBN-MVRVGECWSA-N
HMDB53434,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36,39,62H,4-16,19,22-24,31-35,37-38,40-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",YKASYCRENQZCQF,IYXIVXNTSA,N,TG(20:2n6/22:1(13Z)/20:3n6),YKASYCRENQZCQF-IYXIVXNTSA-N
HMDB53435,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36,39,45,48,62H,4-16,19,22-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",SMLSPVZEBRPBJK,GSULQZTGSA,N,"TG(20:2n6/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))",SMLSPVZEBRPBJK-GSULQZTGSA-N
HMDB53436,1020.908491584,C67H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,64H,4-15,17,20,22-24,31-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-/t64-/m0/s1",VJIKXYFJTLXCMY,LVHTXSKMSA,N,"TG(20:2n6/22:1(13Z)/22:2(13Z,16Z))",VJIKXYFJTLXCMY-LVHTXSKMSA-N
HMDB53437,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,42,45,64H,4-15,17,20,22-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,45-42-/t64-/m0/s1",GBWGRZMPXONPMA,AJEHLCFZSA,N,"TG(20:2n6/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",GBWGRZMPXONPMA-AJEHLCFZSA-N
HMDB53438,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,42,45,51,54,64H,4-15,17,20,22-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",IZCWIYUSOBWJMH,AAYGMOJNSA,N,"TG(20:2n6/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IZCWIYUSOBWJMH-AAYGMOJNSA-N
HMDB53439,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,60H,4-8,10-11,13-16,19,22-24,30-33,35-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",XTPPLMSBGCFPTO,QLVRQTKUSA,N,"TG(20:2n6/22:1(13Z)/18:3(9Z,12Z,15Z))",XTPPLMSBGCFPTO-QLVRQTKUSA-N
HMDB53440,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,40,43,60H,4-8,10-11,13-16,19,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",XCSIUQQMDVSNPI,PEHZVEPXSA,N,"TG(20:2n6/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",XCSIUQQMDVSNPI-PEHZVEPXSA-N
HMDB53441,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36,39,62H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",HIMGSIRXIMNDQH,FBCJXKTGSA,N,"TG(20:2n6/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",HIMGSIRXIMNDQH-FBCJXKTGSA-N
HMDB53442,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36,39,45,48,62H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",IHNYDHWCGWFWLF,DYBIIFDGSA,N,"TG(20:2n6/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IHNYDHWCGWFWLF-DYBIIFDGSA-N
HMDB53443,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,42,45,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,45-42-/t64-/m0/s1",TXKHBJTVHVJBRY,WHZZMXMTSA,N,"TG(20:2n6/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",TXKHBJTVHVJBRY-WHZZMXMTSA-N
HMDB53444,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,42,45,51,54,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",ZDJFUJBCLDPOAC,HWCFHNADSA,N,"TG(20:2n6/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZDJFUJBCLDPOAC-HWCFHNADSA-N
HMDB53445,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,61H,4-16,18-19,21-24,27,30-60H2,1-3H3/b20-17-,28-25-,29-26-/t61-/m1/s1",UWHCZBAFYYHHRB,XKFLIONZSA,N,TG(20:2n6/22:1(13Z)/o-18:0),UWHCZBAFYYHHRB-XKFLIONZSA-N
HMDB53446,1020.908491584,C67H120O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,64H,4-16,19,22-24,31-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-",FIGOSIAWVNNCGO,MVRVGECWSA,N,TG(20:2n6/24:1(15Z)/20:2n6),FIGOSIAWVNNCGO-MVRVGECWSA-N
HMDB53447,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,38,41,64H,4-16,19,22-24,31-37,39-40,42-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",WBGIPZDAWCHACD,CEQWREPVSA,N,TG(20:2n6/24:1(15Z)/20:3n6),WBGIPZDAWCHACD-CEQWREPVSA-N
HMDB53448,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,38,41,47,50,64H,4-16,19,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",HPKKPGMJXQFPHY,HIEAVTQESA,N,"TG(20:2n6/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",HPKKPGMJXQFPHY-HIEAVTQESA-N
HMDB53449,1048.939791713,C69H124O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,66H,4-16,19,22-24,31-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-/t66-/m0/s1",QEQYBMUUARYFTG,AOWOHWRTSA,N,"TG(20:2n6/24:1(15Z)/22:2(13Z,16Z))",QEQYBMUUARYFTG-AOWOHWRTSA-N
HMDB53450,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,44,47,66H,4-16,19,22-24,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,47-44-/t66-/m0/s1",QLADFKMJQWPBDW,FIISMGAGSA,N,"TG(20:2n6/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",QLADFKMJQWPBDW-FIISMGAGSA-N
HMDB53451,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,44,47,53,56,66H,4-16,19,22-24,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,47-44-,56-53-/t66-/m0/s1",NSRLIQMRBYWDFN,CCYGQMMASA,N,"TG(20:2n6/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",NSRLIQMRBYWDFN-CCYGQMMASA-N
HMDB53452,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,62H,4-8,10-11,13-16,19,22-24,30-35,37-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",ZHPSIUJXQCMKMP,KYHFIOHMSA,N,"TG(20:2n6/24:1(15Z)/18:3(9Z,12Z,15Z))",ZHPSIUJXQCMKMP-KYHFIOHMSA-N
HMDB53453,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,42,45,62H,4-8,10-11,13-16,19,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",CVLKNTOQSZRZLE,ISKODLPBSA,N,"TG(20:2n6/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",CVLKNTOQSZRZLE-ISKODLPBSA-N
HMDB53454,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,38,41,64H,4-7,9-10,12-16,19,22-24,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",NVLDGQITLBKJJR,RPAGWGPDSA,N,"TG(20:2n6/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",NVLDGQITLBKJJR-RPAGWGPDSA-N
HMDB53455,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,38,41,47,50,64H,4-7,9-10,12-16,19,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",GTZROBNHCZMIFQ,MDINPHAHSA,N,"TG(20:2n6/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",GTZROBNHCZMIFQ-MDINPHAHSA-N
HMDB53456,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,44,47,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,47-44-/t66-/m0/s1",VIEQHACRTRRTNE,HLNRGAIASA,N,"TG(20:2n6/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VIEQHACRTRRTNE-HLNRGAIASA-N
HMDB53457,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,44,47,53,56,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,47-44-,56-53-/t66-/m0/s1",YZXMOQMUVHNHCC,WBQWJHDBSA,N,"TG(20:2n6/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YZXMOQMUVHNHCC-WBQWJHDBSA-N
HMDB53458,982.929227028,C65H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,63H,4-16,18-19,21-24,27,30-62H2,1-3H3/b20-17-,28-25-,29-26-/t63-/m1/s1",QLDOKOJAJPBHHY,DIZOGMMSSA,N,TG(20:2n6/24:1(15Z)/o-18:0),QLDOKOJAJPBHHY-DIZOGMMSSA-N
HMDB53459,934.798941133,C61H106O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,58H,4-15,22-24,30-31,33-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-",HDFBTHGJVUIVHD,IIKQELHOSA,N,"TG(20:2n6/18:2(9Z,12Z)/20:2n6)",HDFBTHGJVUIVHD-IIKQELHOSA-N
HMDB53460,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-33,35,58H,4-15,22-24,30-31,34,36-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-/t58-/m1/s1",CJZJKYZSIJDDRX,CQYZHFASSA,N,"TG(20:2n6/18:2(9Z,12Z)/20:3n6)",CJZJKYZSIJDDRX-CQYZHFASSA-N
HMDB53461,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-33,35,41,44,58H,4-15,22-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",NFMLNHYQKAOQJE,ISQVCNSCSA,N,"TG(20:2n6/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",NFMLNHYQKAOQJE-ISQVCNSCSA-N
HMDB53462,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,34,60H,4-15,22-24,30-33,35-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-27-/t60-/m0/s1",HWOAMJMEVLUICF,UDMNNMADSA,N,"TG(20:2n6/18:2(9Z,12Z)/22:2(13Z,16Z))",HWOAMJMEVLUICF-UDMNNMADSA-N
HMDB53463,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,38,41,60H,4-15,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",BLUODYRHIPCAQS,OACMGENOSA,N,"TG(20:2n6/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",BLUODYRHIPCAQS-OACMGENOSA-N
HMDB53464,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,38,41,47,50,60H,4-15,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",COZVSHKROVOQOP,STEKBIBLSA,N,"TG(20:2n6/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",COZVSHKROVOQOP-STEKBIBLSA-N
HMDB53465,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-31,56H,4-7,9-10,12-15,22-24,29,32-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1",MFWIXFLLNMLBQA,BEFYLBTPSA,N,"TG(20:2n6/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",MFWIXFLLNMLBQA-BEFYLBTPSA-N
HMDB53466,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-31,36,39,56H,4-7,9-10,12-15,22-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",GWTOEWCWXQDWQW,QABYXOFKSA,N,"TG(20:2n6/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",GWTOEWCWXQDWQW-QABYXOFKSA-N
HMDB53467,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-33,35,58H,4-6,8-9,11-15,22-24,30-31,34,36-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-/t58-/m1/s1",CUKVQNPWKZCVOH,NDEGYSRCSA,N,"TG(20:2n6/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",CUKVQNPWKZCVOH-NDEGYSRCSA-N
HMDB53468,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-33,35,41,44,58H,4-6,8-9,11-15,22-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,44-41-/t58-/m1/s1",KCSFRTQNFSGNIK,LOEQVDTNSA,N,"TG(20:2n6/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KCSFRTQNFSGNIK-LOEQVDTNSA-N
HMDB53469,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,38,41,60H,4-6,8-9,11-15,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",QTYYFJGKWKUBSQ,AHGFPKGFSA,N,"TG(20:2n6/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QTYYFJGKWKUBSQ-AHGFPKGFSA-N
HMDB53470,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",IIZFWHKVNJTNPQ,CQALYHPNSA,N,"TG(20:2n6/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IIZFWHKVNJTNPQ-CQALYHPNSA-N
HMDB53471,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31,57H,4-15,17,20,22-24,26,29-30,32-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-/t57-/m1/s1",JBFBCPXZUMFUMU,HVEMZQNPSA,N,"TG(20:2n6/18:2(9Z,12Z)/o-18:0)",JBFBCPXZUMFUMU-HVEMZQNPSA-N
HMDB53472,932.783291069,C61H104O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,40,43,58H,4-15,22-24,30-31,33-39,41-42,44-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,43-40-",GHFZWNZLPDAHJI,KSKLQFMESA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/20:2n6)",GHFZWNZLPDAHJI-KSKLQFMESA-N
HMDB53473,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-33,35,40,43,58H,4-15,22-24,30-31,34,36-39,41-42,44-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-/t58-/m1/s1",AIOGWZNDBNIVLP,GWZPLZTBSA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/20:3n6)",AIOGWZNDBNIVLP-GWZPLZTBSA-N
HMDB53474,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-33,35,40-41,43-44,58H,4-15,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",RNFNJFDGWAODEG,QNBOTTFGSA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",RNFNJFDGWAODEG-QNBOTTFGSA-N
HMDB53475,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,34,42,45,60H,4-15,22-24,30-33,35-41,43-44,46-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,45-42-/t60-/m0/s1",NFMSLTWQNBNUQQ,ACKHCIBTSA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",NFMSLTWQNBNUQQ-ACKHCIBTSA-N
HMDB53476,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,38,41-42,45,60H,4-15,22-24,30,32,35-37,39-40,43-44,46-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-/t60-/m0/s1",MGEAOKJODZKTKX,ISICLPBDSA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",MGEAOKJODZKTKX-ISICLPBDSA-N
HMDB53477,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,38,41-42,45,47,50,60H,4-15,22-24,30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-,50-47-/t60-/m0/s1",BSLYTXPSABCJNS,DBCIVTTOSA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BSLYTXPSABCJNS-DBCIVTTOSA-N
HMDB53478,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-31,38,41,56H,4-7,9-10,12-15,22-24,29,32-37,39-40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,41-38-/t56-/m1/s1",BORWMICIKPYJKR,UJVXKXJASA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",BORWMICIKPYJKR-UJVXKXJASA-N
HMDB53479,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-31,36,38-39,41,56H,4-7,9-10,12-15,22-24,29,32-35,37,40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,41-38-/t56-/m1/s1",PARVDVGUFPHHJQ,OHLXLZLUSA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",PARVDVGUFPHHJQ-OHLXLZLUSA-N
HMDB53480,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-33,35,40,43,58H,4-6,8-9,11-15,22-24,30-31,34,36-39,41-42,44-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-/t58-/m1/s1",DZPACEQUOKGMJW,PGXANSHISA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",DZPACEQUOKGMJW-PGXANSHISA-N
HMDB53481,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-33,35,40-41,43-44,58H,4-6,8-9,11-15,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-/t58-/m1/s1",JPFPRAZFWNVIKY,REWBSXRYSA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JPFPRAZFWNVIKY-REWBSXRYSA-N
HMDB53482,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,38,41-42,45,60H,4-6,8-9,11-15,22-24,30,32,35-37,39-40,43-44,46-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-/t60-/m0/s1",YKRAKIKUUNSETH,JOLCNQCDSA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YKRAKIKUUNSETH-JOLCNQCDSA-N
HMDB53483,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,38,41-42,45,47,50,60H,4-6,8-9,11-15,22-24,30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-,50-47-/t60-/m0/s1",LLRMOUDUDWTCRD,YDLPISMNSA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LLRMOUDUDWTCRD-YDLPISMNSA-N
HMDB53484,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31,38,41,57H,4-15,17,20,22-24,26,29-30,32-37,39-40,42-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,41-38-/t57-/m1/s1",DZLMQKTZKRRUBI,DNUQGOBYSA,N,"TG(20:2n6/18:3(6Z,9Z,12Z)/o-18:0)",DZLMQKTZKRRUBI-DNUQGOBYSA-N
HMDB53485,962.830241262,C63H110O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,60H,4-15,22-24,31-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-",LYUOZIPQCKXNPX,BBWANDEASA,N,TG(20:2n6/20:2n6/20:2n6),LYUOZIPQCKXNPX-BBWANDEASA-N
HMDB53486,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37,60H,4-15,22-24,31-33,35-36,38-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-/t60-/m1/s1",FJVQVRNNFPSWSQ,JGIBKFCVSA,N,TG(20:2n6/20:2n6/20:3n6),FJVQVRNNFPSWSQ-JGIBKFCVSA-N
HMDB53487,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37,43,46,60H,4-15,22-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-/t60-/m1/s1",VIIWKEJLCOZGMH,FHOJAIQOSA,N,"TG(20:2n6/20:2n6/20:4(5Z,8Z,11Z,14Z))",VIIWKEJLCOZGMH-FHOJAIQOSA-N
HMDB53488,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,62H,4-15,22-24,31-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-/t62-/m0/s1",HILCRXAZGPFYAH,IWAHRLIGSA,N,"TG(20:2n6/20:2n6/22:2(13Z,16Z))",HILCRXAZGPFYAH-IWAHRLIGSA-N
HMDB53489,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35,40,43,62H,4-15,22-24,31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,43-40-/t62-/m0/s1",WPWMXWNDJIZWOP,IPQGTKDQSA,N,"TG(20:2n6/20:2n6/22:4(7Z,10Z,13Z,16Z))",WPWMXWNDJIZWOP-IPQGTKDQSA-N
HMDB53490,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35,40,43,49,52,62H,4-15,22-24,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,43-40-,52-49-/t62-/m0/s1",VOOGIBNFSRMEKM,XIISLZBASA,N,"TG(20:2n6/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",VOOGIBNFSRMEKM-XIISLZBASA-N
HMDB53491,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,58H,4-8,10-11,13-15,22-24,30-31,33-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-/t58-/m1/s1",HSBKTHGDOAWISW,UUZBJMRSSA,N,"TG(20:2n6/20:2n6/18:3(9Z,12Z,15Z))",HSBKTHGDOAWISW-UUZBJMRSSA-N
HMDB53492,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,38,41,58H,4-8,10-11,13-15,22-24,30-31,33-37,39-40,42-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,41-38-/t58-/m1/s1",BJICAMJLBQRONU,AUIFMERSSA,N,"TG(20:2n6/20:2n6/18:4(6Z,9Z,12Z,15Z))",BJICAMJLBQRONU-AUIFMERSSA-N
HMDB53493,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,37,60H,4-6,8-9,11-15,22-24,31-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-/t60-/m1/s1",NJJRJRJTWCCNNE,XITMTEFESA,N,"TG(20:2n6/20:2n6/20:4(8Z,11Z,14Z,17Z))",NJJRJRJTWCCNNE-XITMTEFESA-N
HMDB53494,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,37,43,46,60H,4-6,8-9,11-15,22-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-/t60-/m1/s1",VLMFXQRKOXVLPZ,PXQUNIJTSA,N,"TG(20:2n6/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",VLMFXQRKOXVLPZ-PXQUNIJTSA-N
HMDB53495,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35,40,43,62H,4-6,8-9,11-15,22-24,31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,43-40-/t62-/m0/s1",MRJYLJGTEOEHEM,PKDRBGAZSA,N,"TG(20:2n6/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",MRJYLJGTEOEHEM-PKDRBGAZSA-N
HMDB53496,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35,40,43,49,52,62H,4-6,8-9,11-15,22-24,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,43-40-,52-49-/t62-/m0/s1",BVCGHZWWNLVMQP,LGRDWVOMSA,N,"TG(20:2n6/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BVCGHZWWNLVMQP-LGRDWVOMSA-N
HMDB53497,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,59H,4-15,18,21-24,27,30-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-/t59-/m1/s1",PFTGNQCYADESFM,FVCLJNECSA,N,TG(20:2n6/20:2n6/o-18:0),PFTGNQCYADESFM-FVCLJNECSA-N
HMDB53498,960.814591198,C63H108O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,36,39,60H,4-15,22-24,31-35,37-38,40-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-",IJRUCNLXEPKSBH,NPAMDYFMSA,N,TG(20:2n6/20:3n6/20:2n6),IJRUCNLXEPKSBH-NPAMDYFMSA-N
HMDB53499,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,60H,4-15,22-24,31-33,35,38,40-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-/t60-/m1/s1",LKKZTOWNYBYTMN,JPHWEMSBSA,N,TG(20:2n6/20:3n6/20:3n6),LKKZTOWNYBYTMN-JPHWEMSBSA-N
HMDB53500,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,43,46,60H,4-15,22-24,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1",PUCACZUVSXLWRS,CPGGZKEOSA,N,"TG(20:2n6/20:3n6/20:4(5Z,8Z,11Z,14Z))",PUCACZUVSXLWRS-CPGGZKEOSA-N
HMDB53501,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,38,41,62H,4-15,22-24,31-37,39-40,42-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-/t62-/m0/s1",RMXNNKUNAZYNPV,WPMBNUCXSA,N,"TG(20:2n6/20:3n6/22:2(13Z,16Z))",RMXNNKUNAZYNPV-WPMBNUCXSA-N
HMDB53502,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35,38,40-41,43,62H,4-15,22-24,31,33-34,36-37,39,42,44-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-/t62-/m0/s1",QTFAILGPLVSWOF,FAVCAMIASA,N,"TG(20:2n6/20:3n6/22:4(7Z,10Z,13Z,16Z))",QTFAILGPLVSWOF-FAVCAMIASA-N
HMDB53503,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35,38,40-41,43,49,52,62H,4-15,22-24,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,52-49-/t62-/m0/s1",DRVPUFDKSJGFJJ,IFADETEYSA,N,"TG(20:2n6/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",DRVPUFDKSJGFJJ-IFADETEYSA-N
HMDB53504,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,37,58H,4-8,10-11,13-15,22-24,30-31,33,35-36,38-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-/t58-/m1/s1",UBELQEIEBPQYJK,AGRWMDAGSA,N,"TG(20:2n6/20:3n6/18:3(9Z,12Z,15Z))",UBELQEIEBPQYJK-AGRWMDAGSA-N
HMDB53505,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,37-38,41,58H,4-8,10-11,13-15,22-24,30-31,33,35-36,39-40,42-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-/t58-/m1/s1",GLVNDZSFXCTLFQ,HFFLXYKLSA,N,"TG(20:2n6/20:3n6/18:4(6Z,9Z,12Z,15Z))",GLVNDZSFXCTLFQ-HFFLXYKLSA-N
HMDB53506,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,60H,4-6,8-9,11-15,22-24,31-33,35,38,40-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-/t60-/m1/s1",MHNHYVCCWTUPKM,MWTXPWPNSA,N,"TG(20:2n6/20:3n6/20:4(8Z,11Z,14Z,17Z))",MHNHYVCCWTUPKM-MWTXPWPNSA-N
HMDB53507,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,43,46,60H,4-6,8-9,11-15,22-24,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1",RYRQCSWRSANYFM,VRVPOFQWSA,N,"TG(20:2n6/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",RYRQCSWRSANYFM-VRVPOFQWSA-N
HMDB53508,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35,38,40-41,43,62H,4-6,8-9,11-15,22-24,31,33-34,36-37,39,42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-/t62-/m0/s1",YGMROPBMMDZZIY,WZQSJVFUSA,N,"TG(20:2n6/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",YGMROPBMMDZZIY-WZQSJVFUSA-N
HMDB53509,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35,38,40-41,43,49,52,62H,4-6,8-9,11-15,22-24,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,52-49-/t62-/m0/s1",IYWYZXDESMKWHJ,HZILPADHSA,N,"TG(20:2n6/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IYWYZXDESMKWHJ-HZILPADHSA-N
HMDB53510,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,59H,4-15,18,21-24,27,30-33,35-36,38-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-/t59-/m1/s1",MBIYHKLORVSAPN,OTQMXUCCSA,N,TG(20:2n6/20:3n6/o-18:0),MBIYHKLORVSAPN-OTQMXUCCSA-N
HMDB53511,958.798941133,C63H106O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,36,39,45,48,60H,4-15,22-24,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-",NBIMQFDILFVFBB,JEMAEXNRSA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:2n6)",NBIMQFDILFVFBB-JEMAEXNRSA-N
HMDB53512,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,45,48,60H,4-15,22-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",MOTVJOAHEUKKRZ,YESYEGNTSA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:3n6)",MOTVJOAHEUKKRZ-YESYEGNTSA-N
HMDB53513,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,43,45-46,48,60H,4-15,22-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",PICADWPLIJJOOG,NSHBGJPNSA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",PICADWPLIJJOOG-NSHBGJPNSA-N
HMDB53514,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,38,41,47,50,62H,4-15,22-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t62-/m0/s1",UIZALAYLFJLXNJ,XTCHSTRZSA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",UIZALAYLFJLXNJ-XTCHSTRZSA-N
HMDB53515,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35,38,40-41,43,47,50,62H,4-15,22-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",REKFMXHJPVRSJM,OTEOVESISA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",REKFMXHJPVRSJM-OTEOVESISA-N
HMDB53516,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-15,22-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",ANLTWDYCKOTMFG,HVEBEDGHSA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ANLTWDYCKOTMFG-HVEBEDGHSA-N
HMDB53517,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,37,43,46,58H,4-8,10-11,13-15,22-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",PXVMJPVPYJDMDO,UPYJATMESA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",PXVMJPVPYJDMDO-UPYJATMESA-N
HMDB53518,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,37-38,41,43,46,58H,4-8,10-11,13-15,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",MDXHBOSRWOYQNB,HQJDEFAVSA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",MDXHBOSRWOYQNB-HQJDEFAVSA-N
HMDB53519,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,45,48,60H,4-6,8-9,11-15,22-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",PDOINEZJPOJSCI,ZMMQLPKBSA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",PDOINEZJPOJSCI-ZMMQLPKBSA-N
HMDB53520,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,43,45-46,48,60H,4-6,8-9,11-15,22-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",ONZPXYMTASPSNP,CETAVCOESA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ONZPXYMTASPSNP-CETAVCOESA-N
HMDB53521,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,22-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",YKAWRFAUPATMGP,TYMUZGDTSA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YKAWRFAUPATMGP-TYMUZGDTSA-N
HMDB53522,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8-9,11-15,22-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",WJUAWPOIGFVUDB,JUAVMTKGSA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WJUAWPOIGFVUDB-JUAVMTKGSA-N
HMDB53523,920.819676578,C61H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,43,46,59H,4-15,18,21-24,27,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,46-43-/t59-/m1/s1",COJYGBRVUBEKLG,WUJIYRBDSA,N,"TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/o-18:0)",COJYGBRVUBEKLG-WUJIYRBDSA-N
HMDB53524,990.861541391,C65H114O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,62H,4-15,22-24,31-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-",AGYMHJMLOZWAJR,BBWANDEASA,N,"TG(20:2n6/22:2(13Z,16Z)/20:2n6)",AGYMHJMLOZWAJR-BBWANDEASA-N
HMDB53525,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,36,39,62H,4-15,22-24,31-35,37-38,40-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",QTBYRGZEXJMING,KRCOFPFFSA,N,"TG(20:2n6/22:2(13Z,16Z)/20:3n6)",QTBYRGZEXJMING-KRCOFPFFSA-N
HMDB53526,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,36,39,45,48,62H,4-15,22-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",HPTAOAQBMVCGJN,OYIDJKDGSA,N,"TG(20:2n6/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",HPTAOAQBMVCGJN-OYIDJKDGSA-N
HMDB53527,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,64H,4-15,22-24,31-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-/t64-/m0/s1",APIYEUCCQLGUIP,ZCOSOQHCSA,N,"TG(20:2n6/22:2(13Z,16Z)/22:2(13Z,16Z))",APIYEUCCQLGUIP-ZCOSOQHCSA-N
HMDB53528,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,42,45,64H,4-15,22-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,45-42-/t64-/m0/s1",SKWVSNQAMOMDTP,BLSTWCFGSA,N,"TG(20:2n6/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",SKWVSNQAMOMDTP-BLSTWCFGSA-N
HMDB53529,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,42,45,51,54,64H,4-15,22-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",RADASSXVCQRVEV,KSHMTBCZSA,N,"TG(20:2n6/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RADASSXVCQRVEV-KSHMTBCZSA-N
HMDB53530,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,60H,4-8,10-11,13-15,22-24,30-33,35-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",NWNIYKDDGIOIKQ,BUISJFRYSA,N,"TG(20:2n6/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",NWNIYKDDGIOIKQ-BUISJFRYSA-N
HMDB53531,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,40,43,60H,4-8,10-11,13-15,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",GSLBJFYKPXLMFL,IKXOKERUSA,N,"TG(20:2n6/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",GSLBJFYKPXLMFL-IKXOKERUSA-N
HMDB53532,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,36,39,62H,4-7,9-10,12-15,22-24,31-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",ZQVVUCNTFATSHC,QCHPLPLCSA,N,"TG(20:2n6/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",ZQVVUCNTFATSHC-QCHPLPLCSA-N
HMDB53533,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,36,39,45,48,62H,4-7,9-10,12-15,22-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",QPNWGJLEIXYRFH,FEYXSHHLSA,N,"TG(20:2n6/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QPNWGJLEIXYRFH-FEYXSHHLSA-N
HMDB53534,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,42,45,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,45-42-/t64-/m0/s1",MFYQKHLQDSRNAU,QIZJJFHGSA,N,"TG(20:2n6/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MFYQKHLQDSRNAU-QIZJJFHGSA-N
HMDB53535,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,42,45,51,54,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-/t64-/m0/s1",AGCHOXAONPWRMN,IJFOKBPISA,N,"TG(20:2n6/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AGCHOXAONPWRMN-IJFOKBPISA-N
HMDB53536,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,61H,4-15,18,21-24,27,30-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-/t61-/m1/s1",GAGJUGUZOUXSIF,XUAJFUSCSA,N,"TG(20:2n6/22:2(13Z,16Z)/o-18:0)",GAGJUGUZOUXSIF-XUAJFUSCSA-N
HMDB53537,986.830241262,C65H110O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35,41,44,62H,4-15,22-24,31,33-34,36-40,42-43,45-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,44-41-",PRTDAYGDHVRZQJ,QOVLTXORSA,N,"TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:2n6)",PRTDAYGDHVRZQJ-QOVLTXORSA-N
HMDB53538,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-36,39,41,44,62H,4-15,22-24,31,33-34,37-38,40,42-43,45-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-/t62-/m1/s1",AEVSNLPFZCYDRB,WRZIIDQXSA,N,"TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:3n6)",AEVSNLPFZCYDRB-WRZIIDQXSA-N
HMDB53539,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-36,39,41,44-45,48,62H,4-15,22-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",QJQPBMTWOVYLDI,VXBUQITNSA,N,"TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",QJQPBMTWOVYLDI-VXBUQITNSA-N
HMDB53540,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37,43,46,64H,4-15,22-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-/t64-/m0/s1",YPUYKQSAYHGACT,TWXKVLLESA,N,"TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",YPUYKQSAYHGACT-TWXKVLLESA-N
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HMDB53573,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,38,41,60H,4-6,8,11,13-15,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",GZIHTRQEPYSJHZ,YLRFTESRSA,N,"TG(20:2n6/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GZIHTRQEPYSJHZ-YLRFTESRSA-N
HMDB53574,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,38,41,47,50,60H,4-6,8,11,13-15,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",HFOUMPWZUOGOLE,WUBXHPFTSA,N,"TG(20:2n6/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HFOUMPWZUOGOLE-WUBXHPFTSA-N
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HMDB53605,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,38,41,47,50,62H,4-8,10-11,13-15,22-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t62-/m0/s1",KXFMSIZNBAKHKD,FVYVSKQCSA,N,"TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",KXFMSIZNBAKHKD-FVYVSKQCSA-N
HMDB53606,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35,38,40-41,43,47,50,62H,4-8,10-11,13-15,22-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1",CQNHRJUJTGXQQC,UAEDNCFNSA,N,"TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))",CQNHRJUJTGXQQC-UAEDNCFNSA-N
HMDB53607,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-8,10-11,13-15,22-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",XEOSAHGABTVYIL,YDTCVEMJSA,N,"TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XEOSAHGABTVYIL-YDTCVEMJSA-N
HMDB53608,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32,34,37,43,46,58H,4-7,10,13-15,22-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1",QUKZCUKFKHIAKG,XVYSWERGSA,N,"TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",QUKZCUKFKHIAKG-XVYSWERGSA-N
HMDB53609,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32,34,37-38,41,43,46,58H,4-7,10,13-15,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-/t58-/m1/s1",ZEZMNCGRCXZDOR,QGPKCQKKSA,N,"TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",ZEZMNCGRCXZDOR-QGPKCQKKSA-N
HMDB53610,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34,36-37,39,45,48,60H,4-6,8,11,13-15,22-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1",RTNVVKOTXGJPGJ,MRLIGENJSA,N,"TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",RTNVVKOTXGJPGJ-MRLIGENJSA-N
HMDB53611,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34,36-37,39,43,45-46,48,60H,4-6,8,11,13-15,22-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1",XGTYDUCKGKNUMU,AMXOEXQNSA,N,"TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XGTYDUCKGKNUMU-AMXOEXQNSA-N
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HMDB53616,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35-36,39,41,44,62H,4-6,8-9,11-15,22-24,31,33-34,37-38,40,42-43,45-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-/t62-/m1/s1",MUMWXUFZHCXKBM,BQNWTBQTSA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)",MUMWXUFZHCXKBM-BQNWTBQTSA-N
HMDB53617,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35-36,39,41,44-45,48,62H,4-6,8-9,11-15,22-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",ONLNESNWMKDEPS,QBUIFPKZSA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",ONLNESNWMKDEPS-QBUIFPKZSA-N
HMDB53618,1012.845891326,C67H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,34,37,43,46,64H,4-7,9-10,12-15,22-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-/t64-/m0/s1",UHAAXQREHDCSCF,MVUOMNFJSA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",UHAAXQREHDCSCF-MVUOMNFJSA-N
HMDB53619,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-37,42-43,45-46,64H,4-7,9-10,12-15,22-24,31-32,35,38-41,44,47-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-/t64-/m0/s1",BVXPMKKQUMPKEK,OXOVKFLYSA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",BVXPMKKQUMPKEK-OXOVKFLYSA-N
HMDB53620,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-37,42-43,45-46,51,54,64H,4-7,9-10,12-15,22-24,31-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-/t64-/m0/s1",SDWLTJKDNFVLLL,RPZAEYNCSA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SDWLTJKDNFVLLL-RPZAEYNCSA-N
HMDB53621,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,39,42,60H,4-6,8,11,13-15,22-24,30,32,35-38,40-41,43-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-/t60-/m1/s1",IUKFCSZXWLWVSV,CREAHHFCSA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",IUKFCSZXWLWVSV-CREAHHFCSA-N
HMDB53622,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,39-40,42-43,60H,4-6,8,11,13-15,22-24,30,32,35-38,41,44-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-/t60-/m1/s1",IIRNIPXWMCLIGN,XJJVWCPNSA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",IIRNIPXWMCLIGN-XJJVWCPNSA-N
HMDB53623,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,32,35-36,39,41,44,62H,4-6,9,12-15,22-24,31,33-34,37-38,40,42-43,45-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-/t62-/m1/s1",XPIVVSMKOZXPFD,JCFGAGDNSA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",XPIVVSMKOZXPFD-JCFGAGDNSA-N
HMDB53624,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,32,35-36,39,41,44-45,48,62H,4-6,9,12-15,22-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-/t62-/m1/s1",XAEFFNXDYZHTNN,GPHGJLLNSA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XAEFFNXDYZHTNN-GPHGJLLNSA-N
HMDB53625,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,42-43,45-46,64H,4-6,9,12-15,22-24,31-32,35,38-41,44,47-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-/t64-/m0/s1",BUKLMCQYTJFFAP,HEXDBJBFSA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BUKLMCQYTJFFAP-HEXDBJBFSA-N
HMDB53626,1004.783291069,C67H104O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,42-43,45-46,51,54,64H,4-6,9,12-15,22-24,31-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-/t64-/m0/s1",OODVYZJJSVEUET,JWUVSFCISA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OODVYZJJSVEUET-JWUVSFCISA-N
HMDB53627,946.835326642,C63H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,39,42,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,42-39-/t61-/m1/s1",MVSXHKKHBLBJGS,OVQCXONKSA,N,"TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",MVSXHKKHBLBJGS-OVQCXONKSA-N
HMDB53628,982.798941133,C65H106O6,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35,41,44,50,53,62H,4-6,8-9,11-15,22-24,31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,44-41-,53-50-",YIJKDTSKLZUPON,BEQJJXALSA,N,"TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)",YIJKDTSKLZUPON-BEQJJXALSA-N
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HMDB53630,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-6,8-9,11-15,22-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-/t62-/m1/s1",RJFWEPAZVRIOOH,BSADJIHGSA,N,"TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",RJFWEPAZVRIOOH-BSADJIHGSA-N
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HMDB53632,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-37,42-43,45-46,52,55,64H,4-7,9-10,12-15,22-24,31-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,55-52-/t64-/m0/s1",YJNNNSLEURUGHS,HLIUOVRVSA,N,"TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",YJNNNSLEURUGHS-HLIUOVRVSA-N
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HMDB53636,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,32,35-36,39,41,44,50,53,62H,4-6,9,12-15,22-24,31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,53-50-/t62-/m1/s1",GBIRFFFMSPKFEB,KAYSYWCHSA,N,"TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",GBIRFFFMSPKFEB-KAYSYWCHSA-N
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HMDB53641,924.850976706,C61H112O5,[H]C(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,59H,4-15,18,21-24,27,30-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-",HMPAWVATDNDSKT,XEUHHCTMSA,N,TG(20:2n6/o-18:0/20:2n6),HMPAWVATDNDSKT-XEUHHCTMSA-N
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HMDB53647,894.804026513,C59H106O5,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,32-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-/t57-/m1/s1",DPJRAIMALFXZNN,QHUAOQGJSA,N,"TG(20:2n6/o-18:0/18:3(9Z,12Z,15Z))",DPJRAIMALFXZNN-QHUAOQGJSA-N
HMDB53648,892.788376449,C59H104O5,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31,37,40,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,32-36,38-39,41-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,40-37-/t57-/m1/s1",GZEKANKBNGTDGY,VXFAFUKASA,N,"TG(20:2n6/o-18:0/18:4(6Z,9Z,12Z,15Z))",GZEKANKBNGTDGY-VXFAFUKASA-N
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HMDB53651,946.835326642,C63H110O5,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,39,42,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,42-39-/t61-/m0/s1",RIBVVBFQMDJUJV,FORPRLSESA,N,"TG(20:2n6/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",RIBVVBFQMDJUJV-FORPRLSESA-N
HMDB53652,944.819676578,C63H108O5,[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,39,42,48,51,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,42-39-,51-48-/t61-/m0/s1",HIZPZYVVCLXNRY,VCJZFQNSSA,N,"TG(20:2n6/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HIZPZYVVCLXNRY-VCJZFQNSSA-N
HMDB53653,878.736340868,C57H98O6,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,54H,4-15,18,21-23,28-29,34-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-",UENUMVOLXSKGCN,NKVKJMFRSA,N,TG(20:3n6/14:0/20:3n6),UENUMVOLXSKGCN-NKVKJMFRSA-N
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HMDB53655,908.783291069,C59H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,32,34,56H,4-15,18,21-23,28-31,33,35-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-32-/t56-/m0/s1",YWMXCTLMSHERAX,CEHJBHLDSA,N,"TG(20:3n6/14:0/22:2(13Z,16Z))",YWMXCTLMSHERAX-CEHJBHLDSA-N
HMDB53656,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,56H,4-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1",RZQMXJBXXHARHN,IQVULVQPSA,N,"TG(20:3n6/14:0/22:4(7Z,10Z,13Z,16Z))",RZQMXJBXXHARHN-IQVULVQPSA-N
HMDB53657,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,43,46,56H,4-15,18,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-/t56-/m0/s1",JTQDHVPWVKAWQR,CEPZGROHSA,N,"TG(20:3n6/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",JTQDHVPWVKAWQR-CEPZGROHSA-N
HMDB53658,850.705040747,C55H94O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,52H,4-7,9-10,12-15,18,21-23,27,30,32-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m1/s1",RKFZYAOPEWPGCR,DTUABJAESA,N,"TG(20:3n6/14:0/18:3(9Z,12Z,15Z))",RKFZYAOPEWPGCR-DTUABJAESA-N
HMDB53659,848.689390682,C55H92O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,33,35,52H,4-7,9-10,12-15,18,21-23,27,30,32,34,36-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-/t52-/m1/s1",KJAYLXPEABDPMR,VJKDWRQFSA,N,"TG(20:3n6/14:0/18:4(6Z,9Z,12Z,15Z))",KJAYLXPEABDPMR-VJKDWRQFSA-N
HMDB53660,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,54H,4-6,8-9,11-15,18,21-23,28-29,34-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-/t54-/m1/s1",HDVKDFIFTZICPX,IFLOKUPHSA,N,"TG(20:3n6/14:0/20:4(8Z,11Z,14Z,17Z))",HDVKDFIFTZICPX-IFLOKUPHSA-N
HMDB53661,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,37,40,54H,4-6,8-9,11-15,18,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-/t54-/m1/s1",QPDDLHJBCUWIGE,SWMYSUODSA,N,"TG(20:3n6/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",QPDDLHJBCUWIGE-SWMYSUODSA-N
HMDB53662,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1",GLEFTNZDXKVMRN,CBINDYQCSA,N,"TG(20:3n6/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",GLEFTNZDXKVMRN-CBINDYQCSA-N
HMDB53663,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,43,46,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-/t56-/m0/s1",ROGPEDYCAOGILA,QFAXZWRLSA,N,"TG(20:3n6/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ROGPEDYCAOGILA-QFAXZWRLSA-N
HMDB53664,842.772726384,C55H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,53H,4-15,17-18,20-23,25,27-28,30,32-52H2,1-3H3/b19-16-,26-24-,31-29-/t53-/m1/s1",WWBWZANTQJGIBV,FQZFNFCTSA,N,TG(20:3n6/14:0/o-18:0),WWBWZANTQJGIBV-FQZFNFCTSA-N
HMDB53665,892.751990932,C58H100O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,55H,4-15,18,21-24,29-30,35-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-",MDGYPGBWEPMTNL,DBYNOTGDSA,N,TG(20:3n6/15:0/20:3n6),MDGYPGBWEPMTNL-DBYNOTGDSA-N
HMDB53666,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38,41,55H,4-15,18,21-24,29-30,35-37,39-40,42-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-/t55-/m1/s1",MEYKWGDKIXEKDC,UYYNSSENSA,N,"TG(20:3n6/15:0/20:4(5Z,8Z,11Z,14Z))",MEYKWGDKIXEKDC-UYYNSSENSA-N
HMDB53667,922.798941133,C60H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,35,57H,4-15,18,21-24,29-32,34,36-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-33-/t57-/m0/s1",SEFKRPOMLSLDGU,RDOMJWQOSA,N,"TG(20:3n6/15:0/22:2(13Z,16Z))",SEFKRPOMLSLDGU-RDOMJWQOSA-N
HMDB53668,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39,57H,4-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-/t57-/m0/s1",SXOAPSYUCWMRBV,MXYSDUIISA,N,"TG(20:3n6/15:0/22:4(7Z,10Z,13Z,16Z))",SXOAPSYUCWMRBV-MXYSDUIISA-N
HMDB53669,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39,44,47,57H,4-15,18,21-24,29,31,34,37-38,40-43,45-46,48-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,47-44-/t57-/m0/s1",YXZHTFHDQCDELN,XBTRZRBSSA,N,"TG(20:3n6/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",YXZHTFHDQCDELN-XBTRZRBSSA-N
HMDB53670,864.720690811,C56H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,53H,4-7,9-10,12-15,18,21-24,28,31,33-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-/t53-/m1/s1",IAMYNUVRMNBXPZ,BKYCFUPMSA,N,"TG(20:3n6/15:0/18:3(9Z,12Z,15Z))",IAMYNUVRMNBXPZ-BKYCFUPMSA-N
HMDB53671,862.705040747,C56H94O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,34,36,53H,4-7,9-10,12-15,18,21-24,28,31,33,35,37-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-/t53-/m1/s1",NLBNDRSWJTZVCI,YHTQJXETSA,N,"TG(20:3n6/15:0/18:4(6Z,9Z,12Z,15Z))",NLBNDRSWJTZVCI-YHTQJXETSA-N
HMDB53672,890.736340876,C58H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,55H,4-6,8-9,11-15,18,21-24,29-30,35-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-/t55-/m1/s1",LZRQTFGAWPAQCD,AUXYUWBUSA,N,"TG(20:3n6/15:0/20:4(8Z,11Z,14Z,17Z))",LZRQTFGAWPAQCD-AUXYUWBUSA-N
HMDB53673,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38,41,55H,4-6,8-9,11-15,18,21-24,29-30,35-37,39-40,42-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-/t55-/m1/s1",BJFYNPUZHNXETL,JBQZHOAJSA,N,"TG(20:3n6/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",BJFYNPUZHNXETL-JBQZHOAJSA-N
HMDB53674,916.75199094,C60H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-/t57-/m0/s1",TYQQBDKEOFRLNV,RKKILNSPSA,N,"TG(20:3n6/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",TYQQBDKEOFRLNV-RKKILNSPSA-N
HMDB53675,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,44,47,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,47-44-/t57-/m0/s1",OPQTXOKPBHAZIA,RRSINHCWSA,N,"TG(20:3n6/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OPQTXOKPBHAZIA-RRSINHCWSA-N
HMDB53676,856.788376449,C56H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,54H,4-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b19-16-,27-25-,32-30-/t54-/m1/s1",RPDZMFBXFGBIRD,LWFFWPLASA,N,TG(20:3n6/15:0/o-18:0),RPDZMFBXFGBIRD-LWFFWPLASA-N
HMDB53677,906.767640996,C59H102O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,56H,4-15,18,21-24,29-30,33,36-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-",UTZAWQJMCQVSSZ,BPHLTKLBSA,N,TG(20:3n6/16:0/20:3n6),UTZAWQJMCQVSSZ-BPHLTKLBSA-N
HMDB53678,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,39,42,56H,4-15,18,21-24,29-30,33,36-38,40-41,43-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,42-39-/t56-/m1/s1",OYODIKUVEAHQOV,ITLROQRQSA,N,"TG(20:3n6/16:0/20:4(5Z,8Z,11Z,14Z))",OYODIKUVEAHQOV-ITLROQRQSA-N
HMDB53679,936.814591198,C61H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,58H,4-15,18,21-24,29-32,34-35,37-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-/t58-/m0/s1",WMZWHBZMDBLYOA,XKQXSAAHSA,N,"TG(20:3n6/16:0/22:2(13Z,16Z))",WMZWHBZMDBLYOA-XKQXSAAHSA-N
HMDB53680,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,39,58H,4-15,18,21-24,29,31,34-35,38,40-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-/t58-/m0/s1",WFOXICIYQHKPIU,QJLSSMEBSA,N,"TG(20:3n6/16:0/22:4(7Z,10Z,13Z,16Z))",WFOXICIYQHKPIU-QJLSSMEBSA-N
HMDB53681,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,39,45,48,58H,4-15,18,21-24,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-/t58-/m0/s1",YRHKVDLGCLNBRJ,OPQFPNIRSA,N,"TG(20:3n6/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",YRHKVDLGCLNBRJ-OPQFPNIRSA-N
HMDB53682,878.736340876,C57H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,54H,4-7,9-10,12-15,18,21-24,28,31-32,34-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-/t54-/m1/s1",ZZGWXOAATGFMOH,RFVZABSJSA,N,"TG(20:3n6/16:0/18:3(9Z,12Z,15Z))",ZZGWXOAATGFMOH-RFVZABSJSA-N
HMDB53683,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33-34,37,54H,4-7,9-10,12-15,18,21-24,28,31-32,35-36,38-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-/t54-/m1/s1",UVSFGARXEWSBFS,RKEAYOIVSA,N,"TG(20:3n6/16:0/18:4(6Z,9Z,12Z,15Z))",UVSFGARXEWSBFS-RKEAYOIVSA-N
HMDB53684,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-/t56-/m1/s1",QPLKACYYEAQCQB,LYUFXUACSA,N,"TG(20:3n6/16:0/20:4(8Z,11Z,14Z,17Z))",QPLKACYYEAQCQB-LYUFXUACSA-N
HMDB53685,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,39,42,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,42-39-/t56-/m1/s1",WLJIWFPLWNDHQL,HJGMDNAKSA,N,"TG(20:3n6/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",WLJIWFPLWNDHQL-HJGMDNAKSA-N
HMDB53686,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,39,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-/t58-/m0/s1",FNHMPDJPJBRZHW,SSQDVYACSA,N,"TG(20:3n6/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",FNHMPDJPJBRZHW-SSQDVYACSA-N
HMDB53687,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,39,45,48,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-/t58-/m0/s1",DCNGWQMUYHXQAS,FJYQQLEGSA,N,"TG(20:3n6/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DCNGWQMUYHXQAS-FJYQQLEGSA-N
HMDB53688,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,55H,4-15,17-18,20-24,26,28-29,31-32,34-54H2,1-3H3/b19-16-,27-25-,33-30-/t55-/m1/s1",CWLXAXNJGBVGCW,CQKBLQMKSA,N,TG(20:3n6/16:0/o-18:0),CWLXAXNJGBVGCW-CQKBLQMKSA-N
HMDB53689,934.798941124,C61H106O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,58H,4-15,18,21-24,27,30-32,37-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-",UULGYAGTXAJKAK,MEICXDENSA,N,TG(20:3n6/18:0/20:3n6),UULGYAGTXAJKAK-MEICXDENSA-N
HMDB53690,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,41,44,58H,4-15,18,21-24,27,30-32,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,44-41-/t58-/m1/s1",RBMSXTTYEITVBA,NYYQARMLSA,N,"TG(20:3n6/18:0/20:4(5Z,8Z,11Z,14Z))",RBMSXTTYEITVBA-NYYQARMLSA-N
HMDB53691,964.845891326,C63H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,37,60H,4-15,18,21-24,27,30-34,36,38-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-35-/t60-/m0/s1",QNCBCQOFCIRMDR,BSNFIWSJSA,N,"TG(20:3n6/18:0/22:2(13Z,16Z))",QNCBCQOFCIRMDR-BSNFIWSJSA-N
HMDB53692,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,37-38,41,60H,4-15,18,21-24,27,30,32,34,36,39-40,42-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-/t60-/m0/s1",KTPPFTJSMUEVRI,NKLYBTABSA,N,"TG(20:3n6/18:0/22:4(7Z,10Z,13Z,16Z))",KTPPFTJSMUEVRI-NKLYBTABSA-N
HMDB53693,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,37-38,41,47,50,60H,4-15,18,21-24,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-/t60-/m0/s1",FJUCHGYLVVMEGA,PWVVNWSCSA,N,"TG(20:3n6/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",FJUCHGYLVVMEGA-PWVVNWSCSA-N
HMDB53694,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30,32,34,56H,4-7,9-10,12-15,18,21-24,27,29,31,33,35-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,34-32-/t56-/m1/s1",JBWNZIKJLFRUNO,APRDTWRWSA,N,"TG(20:3n6/18:0/18:3(9Z,12Z,15Z))",JBWNZIKJLFRUNO-APRDTWRWSA-N
HMDB53695,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30,32,34,36,39,56H,4-7,9-10,12-15,18,21-24,27,29,31,33,35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,34-32-,39-36-/t56-/m1/s1",DOGZLTIVVGRNCU,LSXMEZCTSA,N,"TG(20:3n6/18:0/18:4(6Z,9Z,12Z,15Z))",DOGZLTIVVGRNCU-LSXMEZCTSA-N
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HMDB53697,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,41,44,58H,4-6,8-9,11-15,18,21-24,27,30-32,37-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,44-41-/t58-/m1/s1",YAXKTEDIKPPPFM,SHLFYIRLSA,N,"TG(20:3n6/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",YAXKTEDIKPPPFM-SHLFYIRLSA-N
HMDB53698,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,37-38,41,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-/t60-/m0/s1",NUEYLMZDBXYDET,KJQUGCBZSA,N,"TG(20:3n6/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",NUEYLMZDBXYDET-KJQUGCBZSA-N
HMDB53699,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,37-38,41,47,50,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-/t60-/m0/s1",KDRWOUSNZBDXFR,SDPTVNQASA,N,"TG(20:3n6/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KDRWOUSNZBDXFR-SDPTVNQASA-N
HMDB53700,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,34,57H,4-15,17-18,20-24,26-27,29-31,33,35-56H2,1-3H3/b19-16-,28-25-,34-32-/t57-/m1/s1",HBZJTKSOVISVGZ,RXQJIZTASA,N,TG(20:3n6/18:0/o-18:0),HBZJTKSOVISVGZ-RXQJIZTASA-N
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HMDB53703,992.877191455,C65H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,36,39,62H,4-15,18,21-24,27,30-35,37-38,40-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-/t62-/m0/s1",WSJJVLXMJFSXSJ,FXIPEMSMSA,N,"TG(20:3n6/20:0/22:2(13Z,16Z))",WSJJVLXMJFSXSJ-FXIPEMSMSA-N
HMDB53704,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,35-36,39-40,43,62H,4-15,18,21-24,27,30-31,33-34,37-38,41-42,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-/t62-/m0/s1",JNWLBIIKAQSPJC,FSYXPDGWSA,N,"TG(20:3n6/20:0/22:4(7Z,10Z,13Z,16Z))",JNWLBIIKAQSPJC-FSYXPDGWSA-N
HMDB53705,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,35-36,39-40,43,49,52,62H,4-15,18,21-24,27,30-31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,52-49-/t62-/m0/s1",BAMRNHBEXVCXQN,INLRFEKOSA,N,"TG(20:3n6/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",BAMRNHBEXVCXQN-INLRFEKOSA-N
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HMDB53707,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32-33,36,38,41,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,34-35,37,39-40,42-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,36-33-,41-38-/t58-/m1/s1",GDYDSBQJAFFOKA,HNFQZGHKSA,N,"TG(20:3n6/20:0/18:4(6Z,9Z,12Z,15Z))",GDYDSBQJAFFOKA-HNFQZGHKSA-N
HMDB53708,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,60H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-/t60-/m1/s1",RIIKJHBZGFTSHO,QVUCQEKGSA,N,"TG(20:3n6/20:0/20:4(8Z,11Z,14Z,17Z))",RIIKJHBZGFTSHO-QVUCQEKGSA-N
HMDB53709,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43,46,60H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-/t60-/m1/s1",SHWNHSAKNIOPPW,NPGRYNPDSA,N,"TG(20:3n6/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",SHWNHSAKNIOPPW-NPGRYNPDSA-N
HMDB53710,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,35-36,39-40,43,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-/t62-/m0/s1",RJKJHAGTWYJUQZ,HJDWELPZSA,N,"TG(20:3n6/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",RJKJHAGTWYJUQZ-HJDWELPZSA-N
HMDB53711,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,35-36,39-40,43,49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,52-49-/t62-/m0/s1",YHWDIZDJZLHEDJ,GSKWKJTOSA,N,"TG(20:3n6/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YHWDIZDJZLHEDJ-GSKWKJTOSA-N
HMDB53712,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,59H,4-15,17-18,20-24,26-27,29-32,34-35,37-58H2,1-3H3/b19-16-,28-25-,36-33-/t59-/m1/s1",IYTSSWXSXRRTMI,HIVQLAITSA,N,TG(20:3n6/20:0/o-18:0),IYTSSWXSXRRTMI-HIVQLAITSA-N
HMDB53713,990.86154138,C65H114O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,62H,4-16,19,22-25,28,31-35,38,41-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-",YTOVMYASBQXCOH,CJUCMRAXSA,N,TG(20:3n6/22:0/20:3n6),YTOVMYASBQXCOH-CJUCMRAXSA-N
HMDB53714,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,45,48,62H,4-16,19,22-25,28,31-35,38,41-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-/t62-/m1/s1",AERFUDRQDOVUAQ,HPXBEPTDSA,N,"TG(20:3n6/22:0/20:4(5Z,8Z,11Z,14Z))",AERFUDRQDOVUAQ-HPXBEPTDSA-N
HMDB53715,1020.908491584,C67H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,38,41,64H,4-15,17,20,22-24,26,29,31-37,39-40,42-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,41-38-/t64-/m0/s1",HMENUJRERZRHOQ,HEYVVUBXSA,N,"TG(20:3n6/22:0/22:2(13Z,16Z))",HMENUJRERZRHOQ-HEYVVUBXSA-N
HMDB53716,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,38,41-42,45,64H,4-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-/t64-/m0/s1",ARLGQRCBUHDXPG,NSIVKMARSA,N,"TG(20:3n6/22:0/22:4(7Z,10Z,13Z,16Z))",ARLGQRCBUHDXPG-NSIVKMARSA-N
HMDB53717,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,38,41-42,45,51,54,64H,4-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,54-51-/t64-/m0/s1",VHDYMGTXCMPLKZ,ZVFMCGSOSA,N,"TG(20:3n6/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",VHDYMGTXCMPLKZ-ZVFMCGSOSA-N
HMDB53718,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,38,60H,4-8,10-11,13-16,19,22-25,28,30-33,36-37,39-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,38-35-/t60-/m1/s1",UZIKBSYQATZXML,COEDDZBISA,N,"TG(20:3n6/22:0/18:3(9Z,12Z,15Z))",UZIKBSYQATZXML-COEDDZBISA-N
HMDB53719,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,38,40,43,60H,4-8,10-11,13-16,19,22-25,28,30-33,36-37,39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,43-40-/t60-/m1/s1",YNRQWDKTOVKJLW,HSSQFVEMSA,N,"TG(20:3n6/22:0/18:4(6Z,9Z,12Z,15Z))",YNRQWDKTOVKJLW-HSSQFVEMSA-N
HMDB53720,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,62H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-/t62-/m1/s1",ZYRRMIXJDOMJEY,HGRHKKAYSA,N,"TG(20:3n6/22:0/20:4(8Z,11Z,14Z,17Z))",ZYRRMIXJDOMJEY-HGRHKKAYSA-N
HMDB53721,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45,48,62H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-/t62-/m1/s1",VBRDFDJBESWQGE,QAEXUQLLSA,N,"TG(20:3n6/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",VBRDFDJBESWQGE-QAEXUQLLSA-N
HMDB53722,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,38,41-42,45,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-/t64-/m0/s1",WNZSFZAKXYQSHN,BGQPCAEVSA,N,"TG(20:3n6/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",WNZSFZAKXYQSHN-BGQPCAEVSA-N
HMDB53723,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,38,41-42,45,51,54,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,54-51-/t64-/m0/s1",GYQHKHTYSHFLNG,UQNGEMRVSA,N,"TG(20:3n6/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GYQHKHTYSHFLNG-UQNGEMRVSA-N
HMDB53724,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,61H,4-16,18-19,21-25,27-28,30-34,36-37,39-60H2,1-3H3/b20-17-,29-26-,38-35-/t61-/m1/s1",YCGDLABDDKGWQV,LWEOUFGKSA,N,TG(20:3n6/22:0/o-18:0),YCGDLABDDKGWQV-LWEOUFGKSA-N
HMDB53725,1018.892841508,C67H118O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,38-39,41-42,64H,4-16,19,22-25,28,31-37,40,43-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,42-39-",BMGKDGMNSGBTIB,UKFMYUQISA,N,TG(20:3n6/24:0/20:3n6),BMGKDGMNSGBTIB-UKFMYUQISA-N
HMDB53726,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,38-39,41-42,47,50,64H,4-16,19,22-25,28,31-37,40,43-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-/t64-/m1/s1",AAMZNUSIHHMEQD,ZUFHXVCQSA,N,"TG(20:3n6/24:0/20:4(5Z,8Z,11Z,14Z))",AAMZNUSIHHMEQD-ZUFHXVCQSA-N
HMDB53727,1048.939791713,C69H124O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,40,43,66H,4-16,19,22-25,28,31-39,41-42,44-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,43-40-/t66-/m0/s1",QAHORGJLLCBZRB,IDOAMYITSA,N,"TG(20:3n6/24:0/22:2(13Z,16Z))",QAHORGJLLCBZRB-IDOAMYITSA-N
HMDB53728,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,40,43-44,47,66H,4-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-/t66-/m0/s1",RCTSOFQJPCCIGA,DBJDUYNZSA,N,"TG(20:3n6/24:0/22:4(7Z,10Z,13Z,16Z))",RCTSOFQJPCCIGA-DBJDUYNZSA-N
HMDB53729,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,40,43-44,47,53,56,66H,4-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-/t66-/m0/s1",MIYRZLWAOWSWDV,CLNHOAQQSA,N,"TG(20:3n6/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",MIYRZLWAOWSWDV-CLNHOAQQSA-N
HMDB53730,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,40,62H,4-8,10-11,13-16,19,22-25,28,30-35,38-39,41-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,40-37-/t62-/m1/s1",UZSXZTDVDOBWKH,BHTADGHKSA,N,"TG(20:3n6/24:0/18:3(9Z,12Z,15Z))",UZSXZTDVDOBWKH-BHTADGHKSA-N
HMDB53731,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,40,42,45,62H,4-8,10-11,13-16,19,22-25,28,30-35,38-39,41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,40-37-,45-42-/t62-/m1/s1",QLOZYQLZBXWGPM,BWSNJBITSA,N,"TG(20:3n6/24:0/18:4(6Z,9Z,12Z,15Z))",QLOZYQLZBXWGPM-BWSNJBITSA-N
HMDB53732,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,38-39,41-42,64H,4-7,9-10,12-16,19,22-25,28,31-37,40,43-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-/t64-/m1/s1",YUWUZHYHTHZAAG,CUWHHGQRSA,N,"TG(20:3n6/24:0/20:4(8Z,11Z,14Z,17Z))",YUWUZHYHTHZAAG-CUWHHGQRSA-N
HMDB53733,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,38-39,41-42,47,50,64H,4-7,9-10,12-16,19,22-25,28,31-37,40,43-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-/t64-/m1/s1",NLJPPAXEIDDOKR,NAFIXJFFSA,N,"TG(20:3n6/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",NLJPPAXEIDDOKR-NAFIXJFFSA-N
HMDB53734,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,40,43-44,47,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-/t66-/m0/s1",LOWYAGUNUNCWKT,HQKHZRJUSA,N,"TG(20:3n6/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",LOWYAGUNUNCWKT-HQKHZRJUSA-N
HMDB53735,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,40,43-44,47,53,56,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-/t66-/m0/s1",PBRIVQWYUOYCSH,WASYXMBISA,N,"TG(20:3n6/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PBRIVQWYUOYCSH-WASYXMBISA-N
HMDB53736,982.929227028,C65H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,63H,4-16,18-19,21-25,27-28,30-36,38-39,41-62H2,1-3H3/b20-17-,29-26-,40-37-/t63-/m1/s1",SXXZRBAKJRFKAY,HRTNPQKTSA,N,TG(20:3n6/24:0/o-18:0),SXXZRBAKJRFKAY-HRTNPQKTSA-N
HMDB53737,876.720690804,C57H96O6,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,54H,4-14,21-23,28-29,34-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-",YRJWKVZPGGDVJZ,NIVLNYKVSA,N,TG(20:3n6/14:1(9Z)/20:3n6),YRJWKVZPGGDVJZ-NIVLNYKVSA-N
HMDB53738,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,37,40,54H,4-14,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-/t54-/m1/s1",ZBRUDYGBQKVRGJ,HRZGJITLSA,N,"TG(20:3n6/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",ZBRUDYGBQKVRGJ-HRZGJITLSA-N
HMDB53739,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,32,34,56H,4-14,21-23,28-31,33,35-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,34-32-/t56-/m0/s1",PVCXQRTUWGTLLD,TUEVYODJSA,N,"TG(20:3n6/14:1(9Z)/22:2(13Z,16Z))",PVCXQRTUWGTLLD-TUEVYODJSA-N
HMDB53740,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,56H,4-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1",LJSDNKOYEPOXLZ,RAKJXZSESA,N,"TG(20:3n6/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",LJSDNKOYEPOXLZ-RAKJXZSESA-N
HMDB53741,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,43,46,56H,4-14,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-/t56-/m0/s1",OACZMCYGLSBUJM,AJZCWOQOSA,N,"TG(20:3n6/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OACZMCYGLSBUJM-AJZCWOQOSA-N
HMDB53742,848.689390682,C55H92O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,52H,4-7,9-10,12-14,21-23,27,30,32-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m1/s1",GRWFVBBUIFEDCS,KGLURUMISA,N,"TG(20:3n6/14:1(9Z)/18:3(9Z,12Z,15Z))",GRWFVBBUIFEDCS-KGLURUMISA-N
HMDB53743,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,33,35,52H,4-7,9-10,12-14,21-23,27,30,32,34,36-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-/t52-/m1/s1",JZYUZFRSWLYWPS,YVFBEOAMSA,N,"TG(20:3n6/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",JZYUZFRSWLYWPS-YVFBEOAMSA-N
HMDB53744,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,54H,4-6,8-9,11-14,21-23,28-29,34-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-/t54-/m1/s1",GNKYWQQXRXQTCE,ZHOJJIGVSA,N,"TG(20:3n6/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",GNKYWQQXRXQTCE-ZHOJJIGVSA-N
HMDB53745,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,37,40,54H,4-6,8-9,11-14,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-/t54-/m1/s1",WVJSESMTPAKNAR,GGESORJZSA,N,"TG(20:3n6/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WVJSESMTPAKNAR-GGESORJZSA-N
HMDB53746,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1",FPSHTYJHVSXLOR,MOHFFBQJSA,N,"TG(20:3n6/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FPSHTYJHVSXLOR-MOHFFBQJSA-N
HMDB53747,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,43,46,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-/t56-/m0/s1",UVWSSTYKKNNTCJ,VUEGTROHSA,N,"TG(20:3n6/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UVWSSTYKKNNTCJ-VUEGTROHSA-N
HMDB53748,840.75707632,C55H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,53H,4-14,17,20-23,25,27-28,30,32-52H2,1-3H3/b18-15-,19-16-,26-24-,31-29-/t53-/m1/s1",XLSYEIJTWZKUPN,IQXFYSHJSA,N,TG(20:3n6/14:1(9Z)/o-18:0),XLSYEIJTWZKUPN-IQXFYSHJSA-N
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HMDB53750,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,39,42,56H,4-15,18,22-23,29-30,33,36-38,40-41,43-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-/t56-/m1/s1",RCGWQJSKZLJEGK,HUUHJGPVSA,N,"TG(20:3n6/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",RCGWQJSKZLJEGK-HUUHJGPVSA-N
HMDB53751,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33,36,58H,4-15,18,22-23,29-32,34-35,37-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-/t58-/m0/s1",MARYVCLZAVVSED,CWYLFTGBSA,N,"TG(20:3n6/16:1(9Z)/22:2(13Z,16Z))",MARYVCLZAVVSED-CWYLFTGBSA-N
HMDB53752,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,39,58H,4-15,18,22-23,29,31,34-35,38,40-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-/t58-/m0/s1",QAYFTWOHBLDETO,DHPJQWQMSA,N,"TG(20:3n6/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",QAYFTWOHBLDETO-DHPJQWQMSA-N
HMDB53753,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,39,45,48,58H,4-15,18,22-23,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-/t58-/m0/s1",HUIHYKWGXDQNMB,FTNJYALLSA,N,"TG(20:3n6/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HUIHYKWGXDQNMB-FTNJYALLSA-N
HMDB53754,876.720690811,C57H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,54H,4-7,9-10,12-15,18,22-23,28,31-32,34-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-/t54-/m1/s1",GGIMZPSPKRCMMT,GOBYAVEASA,N,"TG(20:3n6/16:1(9Z)/18:3(9Z,12Z,15Z))",GGIMZPSPKRCMMT-GOBYAVEASA-N
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HMDB53756,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-/t56-/m1/s1",GMZIIBUSPRNLOL,APNBFDDRSA,N,"TG(20:3n6/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",GMZIIBUSPRNLOL-APNBFDDRSA-N
HMDB53757,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,39,42,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-/t56-/m1/s1",WZOAXQSXOUDVTF,KAFXWOSWSA,N,"TG(20:3n6/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WZOAXQSXOUDVTF-KAFXWOSWSA-N
HMDB53758,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,39,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-/t58-/m0/s1",JLYPWSDYUCOBSW,WNNPBQGBSA,N,"TG(20:3n6/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JLYPWSDYUCOBSW-WNNPBQGBSA-N
HMDB53759,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,39,45,48,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-/t58-/m0/s1",XUNXNKQDXZDTPS,PWHQEHHFSA,N,"TG(20:3n6/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XUNXNKQDXZDTPS-PWHQEHHFSA-N
HMDB53760,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-/t55-/m1/s1",QTTCWZLTKUELKJ,AHPWZIASSA,N,TG(20:3n6/16:1(9Z)/o-18:0),QTTCWZLTKUELKJ-AHPWZIASSA-N
HMDB53761,932.78329106,C61H104O6,CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33-36,58H,4-15,18,22-23,27,30-32,37-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-",NQQCGTSKAIQRDD,MQHUAPCTSA,N,TG(20:3n6/18:1(11Z)/20:3n6),NQQCGTSKAIQRDD-MQHUAPCTSA-N
HMDB53762,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33-36,41,44,58H,4-15,18,22-23,27,30-32,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-/t58-/m1/s1",WTOQYYAMNWKEMV,BZQBKTALSA,N,"TG(20:3n6/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",WTOQYYAMNWKEMV-BZQBKTALSA-N
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HMDB53765,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,37-38,41,47,50,60H,4-15,18,22-23,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-/t60-/m0/s1",XBJZPTQZKFLWMM,FXBZAVOSSA,N,"TG(20:3n6/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XBJZPTQZKFLWMM-FXBZAVOSSA-N
HMDB53766,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30,32,34,56H,4-7,9-10,12-15,18,22-23,27,29,31,33,35-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-/t56-/m1/s1",GBXSOUVCNHTMHB,NBFXEXRXSA,N,"TG(20:3n6/18:1(11Z)/18:3(9Z,12Z,15Z))",GBXSOUVCNHTMHB-NBFXEXRXSA-N
HMDB53767,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30,32,34,36,39,56H,4-7,9-10,12-15,18,22-23,27,29,31,33,35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-/t56-/m1/s1",FZFCNOJFIPDHEH,HPBDJUGFSA,N,"TG(20:3n6/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",FZFCNOJFIPDHEH-HPBDJUGFSA-N
HMDB53768,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-36,58H,4-6,8-9,11-15,18,22-23,27,30-32,37-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-/t58-/m1/s1",YGPQTDMDIJVACD,GCQYRRJOSA,N,"TG(20:3n6/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",YGPQTDMDIJVACD-GCQYRRJOSA-N
HMDB53769,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-36,41,44,58H,4-6,8-9,11-15,18,22-23,27,30-32,37-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-/t58-/m1/s1",VXZXWKDSOZHZFA,XCCOVQOPSA,N,"TG(20:3n6/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VXZXWKDSOZHZFA-XCCOVQOPSA-N
HMDB53770,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,37-38,41,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-/t60-/m0/s1",OPWCVQYBFRNZGW,RSQVNEHNSA,N,"TG(20:3n6/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OPWCVQYBFRNZGW-RSQVNEHNSA-N
HMDB53771,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,37-38,41,47,50,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-/t60-/m0/s1",LRVVKNMHUSRKTM,QQKNVSGFSA,N,"TG(20:3n6/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LRVVKNMHUSRKTM-QQKNVSGFSA-N
HMDB53772,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,34,57H,4-15,17-18,20,22-23,26-27,29-31,33,35-56H2,1-3H3/b19-16-,24-21-,28-25-,34-32-/t57-/m1/s1",XPYOPOHMIVEQCS,QGVNVODCSA,N,TG(20:3n6/18:1(11Z)/o-18:0),XPYOPOHMIVEQCS-QGVNVODCSA-N
HMDB53773,932.78329106,C61H104O6,CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,58H,4-15,18,21-24,30-31,37-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-",BBLZKJSIMCXJEV,XGHQXLPKSA,N,TG(20:3n6/18:1(9Z)/20:3n6),BBLZKJSIMCXJEV-XGHQXLPKSA-N
HMDB53774,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,41,44,58H,4-15,18,21-24,30-31,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-/t58-/m1/s1",WDLHFNIGCXYOHU,WULLQRNHSA,N,"TG(20:3n6/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",WDLHFNIGCXYOHU-WULLQRNHSA-N
HMDB53775,962.830241262,C63H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34-35,37,60H,4-15,18,21-24,30-33,36,38-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,37-35-/t60-/m0/s1",JKJYIRPZZWLYSB,PAKOHNFFSA,N,"TG(20:3n6/18:1(9Z)/22:2(13Z,16Z))",JKJYIRPZZWLYSB-PAKOHNFFSA-N
HMDB53776,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,37-38,41,60H,4-15,18,21-24,30,32,36,39-40,42-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-/t60-/m0/s1",BDCZEXNOCSGQCL,OZTKMVHISA,N,"TG(20:3n6/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",BDCZEXNOCSGQCL-OZTKMVHISA-N
HMDB53777,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,37-38,41,47,50,60H,4-15,18,21-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-/t60-/m0/s1",WOEWLVSANLVPBT,PGSDUANMSA,N,"TG(20:3n6/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WOEWLVSANLVPBT-PGSDUANMSA-N
HMDB53778,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-32,34,56H,4-7,9-10,12-15,18,21-24,29,33,35-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-/t56-/m1/s1",DZTBEJNHBJFTSX,RBVPLSILSA,N,"TG(20:3n6/18:1(9Z)/18:3(9Z,12Z,15Z))",DZTBEJNHBJFTSX-RBVPLSILSA-N
HMDB53779,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-32,34,36,39,56H,4-7,9-10,12-15,18,21-24,29,33,35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,39-36-/t56-/m1/s1",UHQXTLRLHSSHHP,UOZYEXAKSA,N,"TG(20:3n6/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",UHQXTLRLHSSHHP-UOZYEXAKSA-N
HMDB53780,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,58H,4-6,8-9,11-15,18,21-24,30-31,37-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-/t58-/m1/s1",HOZZRKNAEKKAAZ,SBNRCNACSA,N,"TG(20:3n6/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",HOZZRKNAEKKAAZ-SBNRCNACSA-N
HMDB53781,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,41,44,58H,4-6,8-9,11-15,18,21-24,30-31,37-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-/t58-/m1/s1",FVHBOGJLFJBWOM,YEFWEPIMSA,N,"TG(20:3n6/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FVHBOGJLFJBWOM-YEFWEPIMSA-N
HMDB53782,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,37-38,41,60H,4-6,8-9,11-15,18,21-24,30,32,36,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-/t60-/m0/s1",SINMBGNDNFVNCB,QOALKQDWSA,N,"TG(20:3n6/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SINMBGNDNFVNCB-QOALKQDWSA-N
HMDB53783,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,37-38,41,47,50,60H,4-6,8-9,11-15,18,21-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-/t60-/m0/s1",HXTJEHRYNIVMJO,LDCCXADYSA,N,"TG(20:3n6/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HXTJEHRYNIVMJO-LDCCXADYSA-N
HMDB53784,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-32,34,57H,4-15,17-18,20-24,26,29-30,33,35-56H2,1-3H3/b19-16-,28-25-,31-27-,34-32-/t57-/m1/s1",ZEXXKXIFJKEEGS,UTWVOOFWSA,N,TG(20:3n6/18:1(9Z)/o-18:0),ZEXXKXIFJKEEGS-UTWVOOFWSA-N
HMDB53785,960.814591188,C63H108O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,60H,4-15,18,21-24,31-33,36,39-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-",VTSBJKZFSZRCFF,PNXCXXNWSA,N,TG(20:3n6/20:1(11Z)/20:3n6),VTSBJKZFSZRCFF-PNXCXXNWSA-N
HMDB53786,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,43,46,60H,4-15,18,21-24,31-33,36,39-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-/t60-/m1/s1",PPBRPZLEEGPJRP,ZBMIMYGISA,N,"TG(20:3n6/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",PPBRPZLEEGPJRP-ZBMIMYGISA-N
HMDB53787,990.861541391,C65H114O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,36,39,62H,4-15,18,21-24,31-35,37-38,40-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-/t62-/m0/s1",UNVBDMBGXYKOTB,ZXDLBBNSSA,N,"TG(20:3n6/20:1(11Z)/22:2(13Z,16Z))",UNVBDMBGXYKOTB-ZXDLBBNSSA-N
HMDB53788,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35-36,39-40,43,62H,4-15,18,21-24,31,33-34,37-38,41-42,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-/t62-/m0/s1",GLBYRIPUTMRXPD,UVBRXOFOSA,N,"TG(20:3n6/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",GLBYRIPUTMRXPD-UVBRXOFOSA-N
HMDB53789,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35-36,39-40,43,49,52,62H,4-15,18,21-24,31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,52-49-/t62-/m0/s1",GKFOZZAMHYRPSR,ZKUJMRSOSA,N,"TG(20:3n6/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GKFOZZAMHYRPSR-ZKUJMRSOSA-N
HMDB53790,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,36,58H,4-8,10-11,13-15,17,20,22-24,30-31,34-35,37-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-/t58-/m1/s1",IWZBFEWRCHZAJO,LVJOPRJFSA,N,"TG(20:3n6/20:1(11Z)/18:3(9Z,12Z,15Z))",IWZBFEWRCHZAJO-LVJOPRJFSA-N
HMDB53791,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,36,38,41,58H,4-8,10-11,13-15,17,20,22-24,30-31,34-35,37,39-40,42-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-/t58-/m1/s1",PTLLQMBJIDZGRT,KSHKWRIHSA,N,"TG(20:3n6/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",PTLLQMBJIDZGRT-KSHKWRIHSA-N
HMDB53792,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,60H,4-6,8-9,11-15,18,21-24,31-33,36,39-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-/t60-/m1/s1",QOCFTCUMNUGLBB,CWJHHOMOSA,N,"TG(20:3n6/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",QOCFTCUMNUGLBB-CWJHHOMOSA-N
HMDB53793,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43,46,60H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-/t60-/m1/s1",HCNIXAHXARQCOB,HZBHBOJCSA,N,"TG(20:3n6/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HCNIXAHXARQCOB-HZBHBOJCSA-N
HMDB53794,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,39-40,43,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-/t62-/m0/s1",AHTLHBAJHYGVPD,NLHPQTKVSA,N,"TG(20:3n6/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AHTLHBAJHYGVPD-NLHPQTKVSA-N
HMDB53795,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,39-40,43,49,52,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,52-49-/t62-/m0/s1",WORORHSOGPGXKY,TZQGFIKRSA,N,"TG(20:3n6/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WORORHSOGPGXKY-TZQGFIKRSA-N
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HMDB53812,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,38,41-42,45,64H,4-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-/t64-/m0/s1",GWIUQOJAXKBKCD,GJTLLKHASA,N,"TG(20:3n6/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",GWIUQOJAXKBKCD-GJTLLKHASA-N
HMDB53813,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,38,41-42,45,51,54,64H,4-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-/t64-/m0/s1",QWBACVSBJWHPAX,YNRLXODHSA,N,"TG(20:3n6/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QWBACVSBJWHPAX-YNRLXODHSA-N
HMDB53814,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,38,60H,4-8,10-11,13-16,19,22-24,30-33,36-37,39-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-/t60-/m1/s1",SQKJFQUNFNRUKS,WLWRUBDVSA,N,"TG(20:3n6/22:1(13Z)/18:3(9Z,12Z,15Z))",SQKJFQUNFNRUKS-WLWRUBDVSA-N
HMDB53815,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,38,40,43,60H,4-8,10-11,13-16,19,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-/t60-/m1/s1",BEAIEHHBBTZBNH,CCEATODJSA,N,"TG(20:3n6/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",BEAIEHHBBTZBNH-CCEATODJSA-N
HMDB53816,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,62H,4-7,9-10,12-16,19,22-24,31-35,38,41-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-/t62-/m1/s1",MCICLUMZJZMHOW,OKXAMWLBSA,N,"TG(20:3n6/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",MCICLUMZJZMHOW-OKXAMWLBSA-N
HMDB53817,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45,48,62H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-/t62-/m1/s1",FDIUSFYKTUVQET,LXJZDKOESA,N,"TG(20:3n6/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FDIUSFYKTUVQET-LXJZDKOESA-N
HMDB53818,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,38,41-42,45,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-/t64-/m0/s1",OOTDHVOVQKWBBU,IUOBFROGSA,N,"TG(20:3n6/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OOTDHVOVQKWBBU-IUOBFROGSA-N
HMDB53819,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,38,41-42,45,51,54,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-/t64-/m0/s1",CVEYEVKGLQBKBZ,KLDWKNNOSA,N,"TG(20:3n6/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CVEYEVKGLQBKBZ-KLDWKNNOSA-N
HMDB53820,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,61H,4-16,18-19,21-24,27,30-34,36-37,39-60H2,1-3H3/b20-17-,28-25-,29-26-,38-35-/t61-/m1/s1",GQESZZRPJKPSPA,ZHJDXWBJSA,N,TG(20:3n6/22:1(13Z)/o-18:0),GQESZZRPJKPSPA-ZHJDXWBJSA-N
HMDB53821,1016.877191444,C67H116O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,38-39,41-42,64H,4-16,19,22-24,31-37,40,43-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-",CNBVVHUMCIBOQT,XAGKYTEXSA,N,TG(20:3n6/24:1(15Z)/20:3n6),CNBVVHUMCIBOQT-XAGKYTEXSA-N
HMDB53822,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,38-39,41-42,47,50,64H,4-16,19,22-24,31-37,40,43-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-/t64-/m1/s1",FZYGBKUDPIDNAE,YUHQXYIQSA,N,"TG(20:3n6/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",FZYGBKUDPIDNAE-YUHQXYIQSA-N
HMDB53823,1046.924141648,C69H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,40,43,66H,4-16,19,22-24,31-39,41-42,44-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,43-40-/t66-/m0/s1",BNXXLNPMZPHHII,NFOYZUQWSA,N,"TG(20:3n6/24:1(15Z)/22:2(13Z,16Z))",BNXXLNPMZPHHII-NFOYZUQWSA-N
HMDB53824,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,40,43-44,47,66H,4-16,19,22-24,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-/t66-/m0/s1",IDUINYUSYPDEKH,IDZLVEGDSA,N,"TG(20:3n6/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",IDUINYUSYPDEKH-IDZLVEGDSA-N
HMDB53825,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,40,43-44,47,53,56,66H,4-16,19,22-24,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-/t66-/m0/s1",MZIMPZPUNOFQEU,RHVQAADOSA,N,"TG(20:3n6/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MZIMPZPUNOFQEU-RHVQAADOSA-N
HMDB53826,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,40,62H,4-8,10-11,13-16,19,22-24,30-35,38-39,41-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-/t62-/m1/s1",IXSGMSKCSPDIQY,OFFDGXHJSA,N,"TG(20:3n6/24:1(15Z)/18:3(9Z,12Z,15Z))",IXSGMSKCSPDIQY-OFFDGXHJSA-N
HMDB53827,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,40,42,45,62H,4-8,10-11,13-16,19,22-24,30-35,38-39,41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-/t62-/m1/s1",YCCMMARCTKYMAS,OMNUZRGDSA,N,"TG(20:3n6/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",YCCMMARCTKYMAS-OMNUZRGDSA-N
HMDB53828,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,38-39,41-42,64H,4-7,9-10,12-16,19,22-24,31-37,40,43-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-/t64-/m1/s1",WHVGXNURTAPDER,ZXBZOOPGSA,N,"TG(20:3n6/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",WHVGXNURTAPDER-ZXBZOOPGSA-N
HMDB53829,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,38-39,41-42,47,50,64H,4-7,9-10,12-16,19,22-24,31-37,40,43-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-/t64-/m1/s1",MJKMCNDQPYVDFD,GQAZPECJSA,N,"TG(20:3n6/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MJKMCNDQPYVDFD-GQAZPECJSA-N
HMDB53830,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,40,43-44,47,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-/t66-/m0/s1",JQLYHESMYZGHSW,KGJQJATQSA,N,"TG(20:3n6/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JQLYHESMYZGHSW-KGJQJATQSA-N
HMDB53831,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,40,43-44,47,53,56,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-/t66-/m0/s1",RSZTUMSHVIICMT,YHEQGXMCSA,N,"TG(20:3n6/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RSZTUMSHVIICMT-YHEQGXMCSA-N
HMDB53832,980.913576964,C65H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,40,63H,4-16,18-19,21-24,27,30-36,38-39,41-62H2,1-3H3/b20-17-,28-25-,29-26-,40-37-/t63-/m1/s1",FZWWLUVOQCCKIK,QHMBDWMASA,N,TG(20:3n6/24:1(15Z)/o-18:0),FZWWLUVOQCCKIK-QHMBDWMASA-N
HMDB53833,930.767641004,C61H102O6,[H]C(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,58H,4-15,22-24,30-31,37-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-",JPIGOCRLTXCLBI,GRBMJLQPSA,N,"TG(20:3n6/18:2(9Z,12Z)/20:3n6)",JPIGOCRLTXCLBI-GRBMJLQPSA-N
HMDB53834,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,41,44,58H,4-15,22-24,30-31,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-/t58-/m1/s1",KHZPETPDRIQAAN,OWTJIZOASA,N,"TG(20:3n6/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",KHZPETPDRIQAAN-OWTJIZOASA-N
HMDB53835,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,34-35,37,60H,4-15,22-24,30-33,36,38-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-/t60-/m0/s1",MOGCHNZQZVWBFG,XYCPGVBFSA,N,"TG(20:3n6/18:2(9Z,12Z)/22:2(13Z,16Z))",MOGCHNZQZVWBFG-XYCPGVBFSA-N
HMDB53836,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,37-38,41,60H,4-15,22-24,30,32,36,39-40,42-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-/t60-/m0/s1",BNQJQBHYOORHQK,URQCDWBRSA,N,"TG(20:3n6/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",BNQJQBHYOORHQK-URQCDWBRSA-N
HMDB53837,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,37-38,41,47,50,60H,4-15,22-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-/t60-/m0/s1",GRDDVYHFHJYAIG,HXPWBUJHSA,N,"TG(20:3n6/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GRDDVYHFHJYAIG-HXPWBUJHSA-N
HMDB53838,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-32,34,56H,4-7,9-10,12-15,22-24,29,33,35-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-/t56-/m1/s1",RNFQCLFZDILHIX,MSERDJJCSA,N,"TG(20:3n6/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",RNFQCLFZDILHIX-MSERDJJCSA-N
HMDB53839,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-32,34,36,39,56H,4-7,9-10,12-15,22-24,29,33,35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-/t56-/m1/s1",LJQQNDOWXYVVGF,DNUBYABRSA,N,"TG(20:3n6/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",LJQQNDOWXYVVGF-DNUBYABRSA-N
HMDB53840,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,58H,4-6,8-9,11-15,22-24,30-31,37-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-/t58-/m1/s1",SLHJNAYCBKWTJY,MVJZMYLESA,N,"TG(20:3n6/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",SLHJNAYCBKWTJY-MVJZMYLESA-N
HMDB53841,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,41,44,58H,4-6,8-9,11-15,22-24,30-31,37-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-/t58-/m1/s1",RNOYLRNBZPYEON,PMVILIQUSA,N,"TG(20:3n6/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",RNOYLRNBZPYEON-PMVILIQUSA-N
HMDB53842,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-/t60-/m0/s1",LBPWGTZIEHPYML,KTNNRGRNSA,N,"TG(20:3n6/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LBPWGTZIEHPYML-KTNNRGRNSA-N
HMDB53843,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41,47,50,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-/t60-/m0/s1",ZMMKASYZFJCWTE,IUMWOJOHSA,N,"TG(20:3n6/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZMMKASYZFJCWTE-IUMWOJOHSA-N
HMDB53844,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,34,57H,4-15,17,20,22-24,26,29-30,33,35-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-/t57-/m1/s1",MPUKFVRRGVMHRZ,XYKXDWHSSA,N,"TG(20:3n6/18:2(9Z,12Z)/o-18:0)",MPUKFVRRGVMHRZ-XYKXDWHSSA-N
HMDB53845,928.751990932,C61H100O6,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40,43,58H,4-15,22-24,30-31,37-39,41-42,44-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-",RYCPOIFRBVERQB,KRBXMQBASA,N,"TG(20:3n6/18:3(6Z,9Z,12Z)/20:3n6)",RYCPOIFRBVERQB-KRBXMQBASA-N
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HMDB53850,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-32,34,38,41,56H,4-7,9-10,12-15,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-/t56-/m1/s1",PMIXGVBCAUCGTR,VZNZLLHPSA,N,"TG(20:3n6/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",PMIXGVBCAUCGTR-VZNZLLHPSA-N
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HMDB53852,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40,43,58H,4-6,8-9,11-15,22-24,30-31,37-39,41-42,44-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-/t58-/m1/s1",BWGQHULDCQWQIE,KLZFDNARSA,N,"TG(20:3n6/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",BWGQHULDCQWQIE-KLZFDNARSA-N
HMDB53853,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40-41,43-44,58H,4-6,8-9,11-15,22-24,30-31,37-39,42,45-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-/t58-/m1/s1",ZMDJDWQCIRBXLN,FVIVEPGNSA,N,"TG(20:3n6/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZMDJDWQCIRBXLN-FVIVEPGNSA-N
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HMDB53855,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41-42,45,47,50,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,50-47-/t60-/m0/s1",BVPSGXUWXFKHQL,WSFFIXLVSA,N,"TG(20:3n6/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BVPSGXUWXFKHQL-WSFFIXLVSA-N
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HMDB53866,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,39-40,43,62H,4-6,8-9,11-15,22-24,31,33-34,37-38,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-/t62-/m0/s1",KOEDWZLBGIIZQQ,HEXJIYPBSA,N,"TG(20:3n6/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",KOEDWZLBGIIZQQ-HEXJIYPBSA-N
HMDB53867,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,39-40,43,49,52,62H,4-6,8-9,11-15,22-24,31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,52-49-/t62-/m0/s1",LXJFDHZCAKDNRX,LJGMGBEESA,N,"TG(20:3n6/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LXJFDHZCAKDNRX-LJGMGBEESA-N
HMDB53868,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,59H,4-15,18,21-24,27,30-32,34-35,37-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-/t59-/m1/s1",YQAZHRNMHYLWNX,HVRDPJTPSA,N,TG(20:3n6/20:2n6/o-18:0),YQAZHRNMHYLWNX-HVRDPJTPSA-N
HMDB53869,956.78329106,C63H104O6,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,60H,4-15,22-24,31-33,40-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-",PMEABGYOVGWCSQ,OWSTVCCQSA,N,TG(20:3n6/20:3n6/20:3n6),PMEABGYOVGWCSQ-OWSTVCCQSA-N
HMDB53870,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43,46,60H,4-15,22-24,31-33,40-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-/t60-/m1/s1",LLTRXGBFCHGGPQ,CVXVAJIWSA,N,"TG(20:3n6/20:3n6/20:4(5Z,8Z,11Z,14Z))",LLTRXGBFCHGGPQ-CVXVAJIWSA-N
HMDB53871,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,36,38-39,41,62H,4-15,22-24,31-35,37,40,42-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-/t62-/m0/s1",AUVVSHUWWTVEMX,ZWCJSHIUSA,N,"TG(20:3n6/20:3n6/22:2(13Z,16Z))",AUVVSHUWWTVEMX-ZWCJSHIUSA-N
HMDB53872,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,62H,4-15,22-24,31,33-34,37,42,44-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-/t62-/m0/s1",WSSPTDHAZWOFIX,RUZCYVGLSA,N,"TG(20:3n6/20:3n6/22:4(7Z,10Z,13Z,16Z))",WSSPTDHAZWOFIX-RUZCYVGLSA-N
HMDB53873,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,49,52,62H,4-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-/t62-/m0/s1",SQNFAMFCWLTXBP,NYQJKXRGSA,N,"TG(20:3n6/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",SQNFAMFCWLTXBP-NYQJKXRGSA-N
HMDB53874,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-37,58H,4-8,10-11,13-15,22-24,30-31,35,38-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-/t58-/m1/s1",FAFUYCFVSOOLPC,IOVQHLJISA,N,"TG(20:3n6/20:3n6/18:3(9Z,12Z,15Z))",FAFUYCFVSOOLPC-IOVQHLJISA-N
HMDB53875,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-38,41,58H,4-8,10-11,13-15,22-24,30-31,35,39-40,42-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-/t58-/m1/s1",BXVJGJYAYVJQAZ,MZVISNPXSA,N,"TG(20:3n6/20:3n6/18:4(6Z,9Z,12Z,15Z))",BXVJGJYAYVJQAZ-MZVISNPXSA-N
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HMDB53877,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43,46,60H,4-6,8-9,11-15,22-24,31-33,40-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-/t60-/m1/s1",GQUORQBURNYKNQ,GABGCZDCSA,N,"TG(20:3n6/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",GQUORQBURNYKNQ-GABGCZDCSA-N
HMDB53878,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-/t62-/m0/s1",VIBIIAUIZFMPDA,GOUXSMMJSA,N,"TG(20:3n6/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",VIBIIAUIZFMPDA-GOUXSMMJSA-N
HMDB53879,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,49,52,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-/t62-/m0/s1",XXDBJHDRECUBNX,ANONBXLESA,N,"TG(20:3n6/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XXDBJHDRECUBNX-ANONBXLESA-N
HMDB53880,920.819676578,C61H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,59H,4-15,18,21-24,27,30-32,35,38-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-/t59-/m1/s1",XHOKTHVQWGPGHI,LNMGVEHGSA,N,TG(20:3n6/20:3n6/o-18:0),XHOKTHVQWGPGHI-LNMGVEHGSA-N
HMDB53881,954.767640996,C63H102O6,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,45,48,60H,4-15,22-24,31-33,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,48-45-",KHKICBDLNWOYFV,MNBRBKMYSA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/20:3n6)",KHKICBDLNWOYFV-MNBRBKMYSA-N
HMDB53882,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43,45-46,48,60H,4-15,22-24,31-33,40-42,44,47,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-/t60-/m1/s1",ASSZWZBQIXMMKM,ZDOQARJHSA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",ASSZWZBQIXMMKM-ZDOQARJHSA-N
HMDB53883,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,36,38-39,41,47,50,62H,4-15,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m0/s1",AVLXRSUCYSRPPT,YAWQMCOCSA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",AVLXRSUCYSRPPT-YAWQMCOCSA-N
HMDB53884,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,47,50,62H,4-15,22-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-/t62-/m0/s1",YEWJAWDCDPEWJL,AYSYXUHPSA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",YEWJAWDCDPEWJL-AYSYXUHPSA-N
HMDB53885,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-15,22-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",OSKYXBRDUUVYGA,KAJIBNBASA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OSKYXBRDUUVYGA-KAJIBNBASA-N
HMDB53886,926.736340876,C61H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-37,43,46,58H,4-8,10-11,13-15,22-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-/t58-/m1/s1",GHDOQWJVOVCISJ,JTQGDNQHSA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",GHDOQWJVOVCISJ-JTQGDNQHSA-N
HMDB53887,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-38,41,43,46,58H,4-8,10-11,13-15,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-/t58-/m1/s1",IIGHVRSTPXBBKS,SYYVHDBGSA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",IIGHVRSTPXBBKS-SYYVHDBGSA-N
HMDB53888,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,45,48,60H,4-6,8-9,11-15,22-24,31-33,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,48-45-/t60-/m1/s1",DPVRRBMNBIRJAB,QXRFJFNQSA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",DPVRRBMNBIRJAB-QXRFJFNQSA-N
HMDB53889,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43,45-46,48,60H,4-6,8-9,11-15,22-24,31-33,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-/t60-/m1/s1",MUKKTUSMVINIPU,ANHAFWHNSA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MUKKTUSMVINIPU-ANHAFWHNSA-N
HMDB53890,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,47,50,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-/t62-/m0/s1",ILKSJOCYCMKEPF,SIMCWUMKSA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ILKSJOCYCMKEPF-SIMCWUMKSA-N
HMDB53891,976.75199094,C65H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1",XMWUXAVIWIDJNZ,DYLAYEMXSA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XMWUXAVIWIDJNZ-DYLAYEMXSA-N
HMDB53892,918.804026513,C61H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,43,46,59H,4-15,18,21-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-/t59-/m1/s1",LKZVHOHVDSBYON,FZBYHTRBSA,N,"TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/o-18:0)",LKZVHOHVDSBYON-FZBYHTRBSA-N
HMDB53893,986.830241252,C65H110O6,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,36-37,39-40,62H,4-15,22-24,31-35,38,41-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-",LQIMWNYMEOHQQH,CNHFGXRFSA,N,"TG(20:3n6/22:2(13Z,16Z)/20:3n6)",LQIMWNYMEOHQQH-CNHFGXRFSA-N
HMDB53894,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,36-37,39-40,45,48,62H,4-15,22-24,31-35,38,41-44,46-47,49-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-/t62-/m1/s1",VJGUKVXCXIXYHK,FOZSHUMVSA,N,"TG(20:3n6/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",VJGUKVXCXIXYHK-FOZSHUMVSA-N
HMDB53895,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,38,41,64H,4-15,22-24,31-37,39-40,42-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-/t64-/m0/s1",UZWPIGJREJMAMJ,SDCGKJTKSA,N,"TG(20:3n6/22:2(13Z,16Z)/22:2(13Z,16Z))",UZWPIGJREJMAMJ-SDCGKJTKSA-N
HMDB53896,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,38,41-42,45,64H,4-15,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-/t64-/m0/s1",POARUBFGQOWLLG,OYNNFYNPSA,N,"TG(20:3n6/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",POARUBFGQOWLLG-OYNNFYNPSA-N
HMDB53897,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,38,41-42,45,51,54,64H,4-15,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-/t64-/m0/s1",FDOIIHMOMHPIFF,HAWXTDRGSA,N,"TG(20:3n6/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FDOIIHMOMHPIFF-HAWXTDRGSA-N
HMDB53898,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,38,60H,4-8,10-11,13-15,22-24,30-33,36-37,39-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-/t60-/m1/s1",OBIZTMOHZKQECQ,BTJAXQBVSA,N,"TG(20:3n6/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",OBIZTMOHZKQECQ-BTJAXQBVSA-N
HMDB53899,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,38,40,43,60H,4-8,10-11,13-15,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-/t60-/m1/s1",WKMJVPNNZRZPKK,BAFIBNSUSA,N,"TG(20:3n6/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",WKMJVPNNZRZPKK-BAFIBNSUSA-N
HMDB53900,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,36-37,39-40,62H,4-7,9-10,12-15,22-24,31-35,38,41-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-/t62-/m1/s1",BXDUNBSOFJPVJD,CKQWKLEGSA,N,"TG(20:3n6/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",BXDUNBSOFJPVJD-CKQWKLEGSA-N
HMDB53901,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,36-37,39-40,45,48,62H,4-7,9-10,12-15,22-24,31-35,38,41-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-/t62-/m1/s1",QHGZPXCWJDCWNO,IHMNZHNHSA,N,"TG(20:3n6/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QHGZPXCWJDCWNO-IHMNZHNHSA-N
HMDB53902,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,38,41-42,45,64H,4-6,8-9,11-15,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-/t64-/m0/s1",ZDPOCGAMQRFDCK,HRLAFZGWSA,N,"TG(20:3n6/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZDPOCGAMQRFDCK-HRLAFZGWSA-N
HMDB53903,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,38,41-42,45,51,54,64H,4-6,8-9,11-15,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-/t64-/m0/s1",ATKUUTFEKAJEAS,TYFRVTDKSA,N,"TG(20:3n6/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ATKUUTFEKAJEAS-TYFRVTDKSA-N
HMDB53904,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,38,61H,4-15,18,21-24,27,30-34,36-37,39-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,38-35-/t61-/m1/s1",ROYJPPZMPGNTCP,VKWATNDDSA,N,"TG(20:3n6/22:2(13Z,16Z)/o-18:0)",ROYJPPZMPGNTCP-VKWATNDDSA-N
HMDB53905,982.798941124,C65H106O6,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-37,39-41,44,62H,4-15,22-24,31,33-34,38,42-43,45-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-",MPBJBUQMMHGGIN,NGDLGCSYSA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:3n6)",MPBJBUQMMHGGIN-NGDLGCSYSA-N
HMDB53906,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-37,39-41,44-45,48,62H,4-15,22-24,31,33-34,38,42-43,46-47,49-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-/t62-/m1/s1",MUNBPCWOOXLCTN,HNYIGLNKSA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",MUNBPCWOOXLCTN-HNYIGLNKSA-N
HMDB53907,1012.845891326,C67H112O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37-38,41,43,46,64H,4-15,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-/t64-/m0/s1",AEEKUSXLZUERLW,PZEXTZPESA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",AEEKUSXLZUERLW-PZEXTZPESA-N
HMDB53908,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-46,64H,4-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-/t64-/m0/s1",GVOAYSQANQEZFL,QJCWGRBASA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",GVOAYSQANQEZFL-QJCWGRBASA-N
HMDB53909,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-46,51,54,64H,4-15,22-24,31-32,35,39-40,44,47-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-/t64-/m0/s1",FOBFUFHJCFCMJV,OUGSQOJKSA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",FOBFUFHJCFCMJV-OUGSQOJKSA-N
HMDB53910,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-39,42,60H,4-8,10-11,13-15,22-24,30,32,36-37,40-41,43-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-/t60-/m1/s1",FBVWZRNWVYGXSE,FGLBZDJESA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",FBVWZRNWVYGXSE-FGLBZDJESA-N
HMDB53911,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-40,42-43,60H,4-8,10-11,13-15,22-24,30,32,36-37,41,44-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-/t60-/m1/s1",FYXMPUDVYRLIIY,BLNHPGEGSA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",FYXMPUDVYRLIIY-BLNHPGEGSA-N
HMDB53912,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,45-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-/t62-/m1/s1",OIHKRHQEBBJGMC,ZZIBGWPQSA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",OIHKRHQEBBJGMC-ZZIBGWPQSA-N
HMDB53913,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44-45,48,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-/t62-/m1/s1",ITQKGJSZZRFPGO,KJSYODJUSA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ITQKGJSZZRFPGO-KJSYODJUSA-N
HMDB53914,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-46,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-/t64-/m0/s1",ZSOLUOWKPHGTLG,SDHPOFRKSA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZSOLUOWKPHGTLG-SDHPOFRKSA-N
HMDB53915,1004.783291069,C67H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-46,51,54,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,47-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-/t64-/m0/s1",KWJNENSNEOWDAC,PADKWRQBSA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KWJNENSNEOWDAC-PADKWRQBSA-N
HMDB53916,946.835326642,C63H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34-35,38-39,42,61H,4-15,18,21-24,27,30-31,33,36-37,40-41,43-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-/t61-/m1/s1",MLKNRTCWZPFBSM,RGVIEDFYSA,N,"TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/o-18:0)",MLKNRTCWZPFBSM-RGVIEDFYSA-N
HMDB53917,980.78329106,C65H104O6,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-37,39-41,44,50,53,62H,4-15,22-24,31,33-34,38,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,53-50-",NWKWBJNWUOYDEU,ZVSHCWITSA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)",NWKWBJNWUOYDEU-ZVSHCWITSA-N
HMDB53918,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-37,39-41,44-45,48,50,53,62H,4-15,22-24,31,33-34,38,42-43,46-47,49,51-52,54-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,53-50-/t62-/m1/s1",GYKIUAHHSLWRCC,VDLLWIKLSA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",GYKIUAHHSLWRCC-VDLLWIKLSA-N
HMDB53919,1010.830241262,C67H110O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37-38,41,43,46,52,55,64H,4-15,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-/t64-/m0/s1",HSGXQWYNBGTRLQ,ZGEQVDQPSA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",HSGXQWYNBGTRLQ-ZGEQVDQPSA-N
HMDB53920,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-/t64-/m0/s1",HDLPVEVVHSUSGR,GWBSSYMISA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",HDLPVEVVHSUSGR-GWBSSYMISA-N
HMDB53921,1004.783291069,C67H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-46,51-52,54-55,64H,4-15,22-24,31-32,35,39-40,44,47-50,53,56-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-,55-52-/t64-/m0/s1",PUPSHKMXVMNOGM,BVWMLDSKSA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PUPSHKMXVMNOGM-BVWMLDSKSA-N
HMDB53922,952.75199094,C63H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-39,42,48,51,60H,4-8,10-11,13-15,22-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-/t60-/m1/s1",VQUDVLRTBZFPSP,UGEMLECESA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",VQUDVLRTBZFPSP-UGEMLECESA-N
HMDB53923,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-40,42-43,48,51,60H,4-8,10-11,13-15,22-24,30,32,36-37,41,44-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,51-48-/t60-/m1/s1",UVZYWCXXAVAWDB,PSDSTHAYSA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",UVZYWCXXAVAWDB-PSDSTHAYSA-N
HMDB53924,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44,50,53,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,53-50-/t62-/m1/s1",UBRHQUSYUSSYQB,KMTXAPROSA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",UBRHQUSYUSSYQB-KMTXAPROSA-N
HMDB53925,976.75199094,C65H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44-45,48,50,53,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,46-47,49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,53-50-/t62-/m1/s1",VMXDSQGCSDZBPH,ULZQOEFTSA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VMXDSQGCSDZBPH-ULZQOEFTSA-N
HMDB53926,1004.783291069,C67H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-/t64-/m0/s1",RCLDLZSVIJSRCX,AADPNZFUSA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RCLDLZSVIJSRCX-AADPNZFUSA-N
HMDB53927,1002.767641004,C67H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-46,51-52,54-55,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,47-50,53,56-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-,55-52-/t64-/m0/s1",LQRWOZRCRXZSPA,KGDMSYCASA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LQRWOZRCRXZSPA-KGDMSYCASA-N
HMDB53928,944.819676578,C63H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34-35,38-39,42,48,51,61H,4-15,18,21-24,27,30-31,33,36-37,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,51-48-/t61-/m1/s1",VCEGRHVWRBJANM,HHHVJZPPSA,N,"TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",VCEGRHVWRBJANM-HHHVJZPPSA-N
HMDB53929,928.751990932,C61H100O6,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,58H,4-8,10-11,13-15,22-24,30-31,37-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-",BIAQQUFGGPQPOC,VXXMQXDNSA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/20:3n6)",BIAQQUFGGPQPOC-VXXMQXDNSA-N
HMDB53930,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,41,44,58H,4-8,10-11,13-15,22-24,30-31,37-40,42-43,45-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-/t58-/m1/s1",MQBCTYLELPTVBD,UUXJIYPNSA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",MQBCTYLELPTVBD-UUXJIYPNSA-N
HMDB53931,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,37,60H,4-8,10-11,13-15,22-24,30-33,36,38-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-/t60-/m0/s1",VLEBBCZZNDWVCE,YFDHYPGRSA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",VLEBBCZZNDWVCE-YFDHYPGRSA-N
HMDB53932,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,42-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-/t60-/m0/s1",XRPOIBHTJJIOON,DARGTILLSA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",XRPOIBHTJJIOON-DARGTILLSA-N
HMDB53933,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41,47,50,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-/t60-/m0/s1",NSHUKAOTMWTYBG,AHQXEEQZSA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",NSHUKAOTMWTYBG-AHQXEEQZSA-N
HMDB53934,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,56H,4-7,10,13-15,22-24,29,33,35-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-/t56-/m1/s1",IOBBMTADSCMSQV,JQJOXGKYSA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",IOBBMTADSCMSQV-JQJOXGKYSA-N
HMDB53935,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,36,39,56H,4-7,10,13-15,22-24,29,33,35,37-38,40-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-/t56-/m1/s1",REWUUEVPEBSXTD,QCCQXMBESA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",REWUUEVPEBSXTD-QCCQXMBESA-N
HMDB53936,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,58H,4-6,8,11,13-15,22-24,30-31,37-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-/t58-/m1/s1",AFGUASIDDOIIQY,ZBGCKRSCSA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",AFGUASIDDOIIQY-ZBGCKRSCSA-N
HMDB53937,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,41,44,58H,4-6,8,11,13-15,22-24,30-31,37-40,42-43,45-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-/t58-/m1/s1",ADCAWKGFWSTGLD,ZROVPTBPSA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ADCAWKGFWSTGLD-ZROVPTBPSA-N
HMDB53938,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,37-38,41,60H,4-6,8,11,13-15,22-24,30,32,36,39-40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-/t60-/m0/s1",BTDHRGQFFPYVIV,SIQZCPLGSA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BTDHRGQFFPYVIV-SIQZCPLGSA-N
HMDB53939,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,37-38,41,47,50,60H,4-6,8,11,13-15,22-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-/t60-/m0/s1",LLXVZSYLEPSYLK,IXOVYULXSA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LLXVZSYLEPSYLK-IXOVYULXSA-N
HMDB53940,892.788376449,C59H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,34,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-/t57-/m1/s1",ZALSPSQBFISKHD,AOJWMXDPSA,N,"TG(20:3n6/18:3(9Z,12Z,15Z)/o-18:0)",ZALSPSQBFISKHD-AOJWMXDPSA-N
HMDB53941,926.736340868,C61H98O6,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40,43,58H,4-8,10-11,13-15,22-24,30-31,37-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-",BQXHUBIVPGVIJS,SOOXORCHSA,N,"TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:3n6)",BQXHUBIVPGVIJS-SOOXORCHSA-N
HMDB53942,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-41,43-44,58H,4-8,10-11,13-15,22-24,30-31,37-39,42,45-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-/t58-/m1/s1",UFCXEZKSYAKBPL,QODOXGKMSA,N,"TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",UFCXEZKSYAKBPL-QODOXGKMSA-N
HMDB53943,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,37,42,45,60H,4-8,10-11,13-15,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-/t60-/m0/s1",VBNCHMHZHLSEKN,IKVONDDCSA,N,"TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",VBNCHMHZHLSEKN-IKVONDDCSA-N
HMDB53944,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41-42,45,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,43-44,46-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-/t60-/m0/s1",MCYXMPXRAIMPSS,WOCKCFEKSA,N,"TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",MCYXMPXRAIMPSS-WOCKCFEKSA-N
HMDB53945,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41-42,45,47,50,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,43-44,46,48-49,51-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,50-47-/t60-/m0/s1",MPQBKBVLKAOHHL,UDADNKGDSA,N,"TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MPQBKBVLKAOHHL-UDADNKGDSA-N
HMDB53946,898.705040747,C59H94O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,38,41,56H,4-7,10,13-15,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-/t56-/m1/s1",PNWRRERDZLWPAM,OEJKXYHCSA,N,"TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",PNWRRERDZLWPAM-OEJKXYHCSA-N
HMDB53947,896.689390682,C59H92O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,36,38-39,41,56H,4-7,10,13-15,22-24,29,33,35,37,40,42-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-/t56-/m1/s1",PNXXFPVWBPIWGU,OZWXTLKDSA,N,"TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",PNXXFPVWBPIWGU-OZWXTLKDSA-N
HMDB53948,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40,43,58H,4-6,8,11,13-15,22-24,30-31,37-39,41-42,44-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-/t58-/m1/s1",CBCAECZFTIYBLA,APTBBXRWSA,N,"TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",CBCAECZFTIYBLA-APTBBXRWSA-N
HMDB53949,922.705040747,C61H94O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40-41,43-44,58H,4-6,8,11,13-15,22-24,30-31,37-39,42,45-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-/t58-/m1/s1",NKOOGXYRPLNRLJ,CSGXTEPYSA,N,"TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NKOOGXYRPLNRLJ-CSGXTEPYSA-N
HMDB53950,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,37-38,41-42,45,60H,4-6,8,11,13-15,22-24,30,32,36,39-40,43-44,46-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-/t60-/m0/s1",COKBSWTVCAKVIX,LZLHVSLGSA,N,"TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",COKBSWTVCAKVIX-LZLHVSLGSA-N
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HMDB53952,890.772726384,C59H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,34,38,41,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-37,39-40,42-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-/t57-/m1/s1",VVPURTRKQUUJRE,ONDQRHOUSA,N,"TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/o-18:0)",VVPURTRKQUUJRE-ONDQRHOUSA-N
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HMDB53957,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35-36,38-41,43,49,52,62H,4-8,10-11,13-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-/t62-/m0/s1",QVXNVPNSDDBRRI,LIDBKKNKSA,N,"TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QVXNVPNSDDBRRI-LIDBKKNKSA-N
HMDB53958,926.736340876,C61H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-34,36-37,58H,4-7,10,13-15,22-24,30-31,35,38-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-/t58-/m1/s1",GCVOWKKLOQUOGH,AMZMLLIXSA,N,"TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",GCVOWKKLOQUOGH-AMZMLLIXSA-N
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HMDB53961,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43,46,60H,4-6,8,11,13-15,22-24,31-33,40-42,44-45,47-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-/t60-/m1/s1",OCRMAXAIHJVBLG,OZOVVMRPSA,N,"TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",OCRMAXAIHJVBLG-OZOVVMRPSA-N
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HMDB53963,976.75199094,C65H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,32,35-36,38-41,43,49,52,62H,4-6,8,11,13-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-/t62-/m0/s1",WEIYGRYZWZVJNM,WJXRSXAVSA,N,"TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WEIYGRYZWZVJNM-WJXRSXAVSA-N
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HMDB54009,916.788376449,C61H104O5,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42,45,59H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-/t59-/m1/s1",KZTIRFACMPIOHH,XPTPYZOJSA,N,"TG(20:3n6/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",KZTIRFACMPIOHH-XPTPYZOJSA-N
HMDB54010,944.819676578,C63H108O5,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-/t61-/m0/s1",PYEBEEUWKLPYJF,FEFYQBQZSA,N,"TG(20:3n6/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",PYEBEEUWKLPYJF-FEFYQBQZSA-N
HMDB54011,942.804026513,C63H106O5,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,48,51,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,51-48-/t61-/m0/s1",LFUPLKNUYGXDCB,DBMCQXJOSA,N,"TG(20:3n6/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LFUPLKNUYGXDCB-DBMCQXJOSA-N
HMDB54013,906.767641004,C59H102O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,32,34,39,42,56H,4-15,18,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-32-,42-39-/t56-/m0/s1",CTGLLIIVKWUHNE,OMVDHHTOSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:2(13Z,16Z))",CTGLLIIVKWUHNE-OMVDHHTOSA-N
HMDB54014,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38-39,42,56H,4-15,18,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m0/s1",HCYPBNLCAXTOOX,DQNBNIBOSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:4(7Z,10Z,13Z,16Z))",HCYPBNLCAXTOOX-DQNBNIBOSA-N
HMDB54015,900.720690811,C59H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-15,18,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-/t56-/m0/s1",PVWLIUKXMYHSER,URGFWJIKSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",PVWLIUKXMYHSER-URGFWJIKSA-N
HMDB54017,846.673740618,C55H90O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,33,35-36,39,52H,4-7,9-10,12-15,18,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-/t52-/m1/s1",WBTQAQSZCCHSNK,RRQZYNRVSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:4(6Z,9Z,12Z,15Z))",WBTQAQSZCCHSNK-RRQZYNRVSA-N
HMDB54018,874.705040747,C57H94O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,38,41,54H,4-6,8-9,11-15,18,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m1/s1",DMNPJJPAQRXREH,RLQNZWACSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(8Z,11Z,14Z,17Z))",DMNPJJPAQRXREH-RLQNZWACSA-N
HMDB54019,872.689390682,C57H92O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,37-38,40-41,54H,4-6,8-9,11-15,18,21-23,28-29,34-36,39,42-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-/t54-/m1/s1",VCBMFYRFBOKVJE,ILAMSWAFSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",VCBMFYRFBOKVJE-ILAMSWAFSA-N
HMDB54020,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38-39,42,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m0/s1",HVCHCPBXTHVCNG,LAKYEWMPSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",HVCHCPBXTHVCNG-LAKYEWMPSA-N
HMDB54021,898.705040747,C59H94O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-/t56-/m0/s1",PECXFOQEFJDJIF,MFCAXLISSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PECXFOQEFJDJIF-MFCAXLISSA-N
HMDB54022,840.75707632,C55H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,36,39,53H,4-15,17-18,20-23,25,27-28,30,32-35,37-38,40-52H2,1-3H3/b19-16-,26-24-,31-29-,39-36-/t53-/m1/s1",YGUGWYHDFQVCDC,PBIMUJPOSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:0/o-18:0)",YGUGWYHDFQVCDC-PBIMUJPOSA-N
HMDB54023,888.720690804,C58H96O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-39,41-42,55H,4-15,18,21-24,29-30,35-37,40,43-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-",SXYIDSHILSNXAL,YFJAVMMDSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/15:0/20:4(5Z,8Z,11Z,14Z))",SXYIDSHILSNXAL-YFJAVMMDSA-N
HMDB54024,920.783291069,C60H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,35,40,43,57H,4-15,18,21-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-33-,43-40-/t57-/m0/s1",CDLPQZPDWSRLNG,PUGBCKGFSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:2(13Z,16Z))",CDLPQZPDWSRLNG-PUGBCKGFSA-N
HMDB54025,916.75199094,C60H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39-40,43,57H,4-15,18,21-24,29,31,34,37-38,41-42,44-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-/t57-/m0/s1",BOJVPDNLXNWBJU,LIWRILGLSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:4(7Z,10Z,13Z,16Z))",BOJVPDNLXNWBJU-LIWRILGLSA-N
HMDB54026,914.736340876,C60H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39-40,43-44,47,57H,4-15,18,21-24,29,31,34,37-38,41-42,45-46,48-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-,47-44-/t57-/m0/s1",CMXITSXHMXDWEM,HXTHEDGYSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",CMXITSXHMXDWEM-HXTHEDGYSA-N
HMDB54027,862.705040747,C56H94O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,37,40,53H,4-7,9-10,12-15,18,21-24,28,31,33-36,38-39,41-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,40-37-/t53-/m1/s1",AVJFMQQBKLRLRT,JDFKAARLSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/15:0/18:3(9Z,12Z,15Z))",AVJFMQQBKLRLRT-JDFKAARLSA-N
HMDB54028,860.689390682,C56H92O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,34,36-37,40,53H,4-7,9-10,12-15,18,21-24,28,31,33,35,38-39,41-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-,40-37-/t53-/m1/s1",LHSMYRQENKYXOL,FZZWQJGASA,N,"TG(20:4(5Z,8Z,11Z,14Z)/15:0/18:4(6Z,9Z,12Z,15Z))",LHSMYRQENKYXOL-FZZWQJGASA-N
HMDB54029,888.720690811,C58H96O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,39,42,55H,4-6,8-9,11-15,18,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-/t55-/m1/s1",HACXKQCDYAWZBP,NBRMABAVSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/15:0/20:4(8Z,11Z,14Z,17Z))",HACXKQCDYAWZBP-NBRMABAVSA-N
HMDB54030,886.705040747,C58H94O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-39,41-42,55H,4-6,8-9,11-15,18,21-24,29-30,35-37,40,43-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-/t55-/m1/s1",CSXCONPVXJJKDS,IGPLQVKJSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",CSXCONPVXJJKDS-IGPLQVKJSA-N
HMDB54031,914.736340876,C60H98O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39-40,43,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,41-42,44-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-/t57-/m0/s1",CARULNZCBHWGLE,YXMOODKNSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",CARULNZCBHWGLE-YXMOODKNSA-N
HMDB54032,912.720690811,C60H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39-40,43-44,47,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,41-42,45-46,48-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-,47-44-/t57-/m0/s1",GUNBVSQXFNOEOL,KVLGQVFPSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GUNBVSQXFNOEOL-KVLGQVFPSA-N
HMDB54033,854.772726384,C56H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,37,40,54H,4-15,17-18,20-24,26,28-29,31,33-36,38-39,41-53H2,1-3H3/b19-16-,27-25-,32-30-,40-37-/t54-/m1/s1",RWXHVBZLRIUZHE,WTFKCQMHSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/15:0/o-18:0)",RWXHVBZLRIUZHE-WTFKCQMHSA-N
HMDB54034,902.736340868,C59H98O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,39-40,42-43,56H,4-15,18,21-24,29-30,33,36-38,41,44-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-",NXDZGMKJWBNQQE,VNJFIMGVSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z))",NXDZGMKJWBNQQE-VNJFIMGVSA-N
HMDB54035,934.798941133,C61H106O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,41,44,58H,4-15,18,21-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-,44-41-/t58-/m0/s1",FBDONQMTQYKPMX,LPVSUXJLSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:2(13Z,16Z))",FBDONQMTQYKPMX-LPVSUXJLSA-N
HMDB54036,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,39,41,44,58H,4-15,18,21-24,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m0/s1",VYSGDVVOHRGVML,ZGJRBOILSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:4(7Z,10Z,13Z,16Z))",VYSGDVVOHRGVML-ZGJRBOILSA-N
HMDB54037,928.75199094,C61H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,39,41,44-45,48,58H,4-15,18,21-24,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m0/s1",FNSIBDZBMWIXHX,ZMPQGNOMSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",FNSIBDZBMWIXHX-ZMPQGNOMSA-N
HMDB54039,874.705040747,C57H94O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33-34,37-38,41,54H,4-7,9-10,12-15,18,21-24,28,31-32,35-36,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-,41-38-/t54-/m1/s1",IVRFUBSSYKEYQX,JGSWOLLWSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:0/18:4(6Z,9Z,12Z,15Z))",IVRFUBSSYKEYQX-JGSWOLLWSA-N
HMDB54040,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,40,43,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m1/s1",NZXBUKVQFILHTR,YXCDKOHMSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(8Z,11Z,14Z,17Z))",NZXBUKVQFILHTR-YXCDKOHMSA-N
HMDB54041,900.720690811,C59H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,39-40,42-43,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-38,41,44-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-/t56-/m1/s1",ZWLJFCNGDYASKC,OBDRUBOPSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZWLJFCNGDYASKC-OBDRUBOPSA-N
HMDB54042,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,39,41,44,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m0/s1",ZQLTXKAFIWNITB,LASIFIPVSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",ZQLTXKAFIWNITB-LASIFIPVSA-N
HMDB54044,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,38,41,55H,4-15,17-18,20-24,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b19-16-,27-25-,33-30-,41-38-/t55-/m1/s1",FOYFALOBIYPIPL,UKAGANHESA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:0/o-18:0)",FOYFALOBIYPIPL-UKAGANHESA-N
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HMDB54054,954.767641004,C63H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",OJESMNQAHAGSQJ,UVOJBUORSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OJESMNQAHAGSQJ-UVOJBUORSA-N
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HMDB54059,984.814591198,C65H108O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-/t62-/m0/s1",LMRHVWYILZYLGR,XMNCNZOWSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",LMRHVWYILZYLGR-XMNCNZOWSA-N
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HMDB54063,956.783291069,C63H104O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,60H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,45,48-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-/t60-/m1/s1",FFAOLBOCMJSXFL,JTDUMIDESA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",FFAOLBOCMJSXFL-JTDUMIDESA-N
HMDB54064,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-/t62-/m0/s1",VOZNURVBKSCJON,OUEROQNCSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",VOZNURVBKSCJON-OUEROQNCSA-N
HMDB54065,982.798941133,C65H106O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-/t62-/m0/s1",KTPRXUMDJPBNSM,ZOIFRQSMSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KTPRXUMDJPBNSM-ZOIFRQSMSA-N
HMDB54066,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,42,45,59H,4-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b19-16-,28-25-,36-33-,45-42-/t59-/m1/s1",XROVXJWVFZVSEH,KBFGIVFISA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:0/o-18:0)",XROVXJWVFZVSEH-KBFGIVFISA-N
HMDB54067,986.830241252,C65H110O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,62H,4-16,19,22-25,28,31-35,38,41-44,47,50-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-",AFBRLMULHXBLGA,CDTRBPBMSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:0/20:4(5Z,8Z,11Z,14Z))",AFBRLMULHXBLGA-CDTRBPBMSA-N
HMDB54068,1018.89284152,C67H118O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,38,41,47,50,64H,4-15,17,20,22-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,41-38-,50-47-/t64-/m0/s1",JGMFMHAWZSOLLH,SIYYUVDASA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:2(13Z,16Z))",JGMFMHAWZSOLLH-SIYYUVDASA-N
HMDB54069,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m0/s1",USNCXFHKMQAGHX,MUZSWEJYSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:4(7Z,10Z,13Z,16Z))",USNCXFHKMQAGHX-MUZSWEJYSA-N
HMDB54070,1012.845891326,C67H112O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-/t64-/m0/s1",FDQSUCLAUGYKJY,WUIFRLMSSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",FDQSUCLAUGYKJY-WUIFRLMSSA-N
HMDB54071,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,38,44,47,60H,4-8,10-11,13-16,19,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,47-44-/t60-/m1/s1",JUCCMHJEGWYDMV,WQDOJNLBSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:0/18:3(9Z,12Z,15Z))",JUCCMHJEGWYDMV-WQDOJNLBSA-N
HMDB54072,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,38,40,43-44,47,60H,4-8,10-11,13-16,19,22-25,28,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,43-40-,47-44-/t60-/m1/s1",XATFYFLKYAULHM,HNMXNQLMSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:0/18:4(6Z,9Z,12Z,15Z))",XATFYFLKYAULHM-HNMXNQLMSA-N
HMDB54073,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,46,49,62H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,49-46-/t62-/m1/s1",NFHCYTWHAHGVIA,LEZRKXAZSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:0/20:4(8Z,11Z,14Z,17Z))",NFHCYTWHAHGVIA-LEZRKXAZSA-N
HMDB54074,984.814591198,C65H108O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,62H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-/t62-/m1/s1",HBSJYASNRBNXQR,JCXHQDPISA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",HBSJYASNRBNXQR-JCXHQDPISA-N
HMDB54075,1012.845891326,C67H112O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m0/s1",OFAQMXXJUCMAIC,XPDMZEAKSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",OFAQMXXJUCMAIC-XPDMZEAKSA-N
HMDB54076,1010.830241262,C67H110O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-/t64-/m0/s1",KMGDAGYAHVKDAI,YCNIBIGMSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KMGDAGYAHVKDAI-YCNIBIGMSA-N
HMDB54077,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,44,47,61H,4-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b20-17-,29-26-,38-35-,47-44-/t61-/m1/s1",UTBRCBMCCLRNPB,MSTNBBFJSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:0/o-18:0)",UTBRCBMCCLRNPB-MSTNBBFJSA-N
HMDB54078,1014.86154138,C67H114O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,38-39,41-42,47-48,50-51,64H,4-16,19,22-25,28,31-37,40,43-46,49,52-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-",OWXCRQUVFWJFOY,LBILGWDNSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:0/20:4(5Z,8Z,11Z,14Z))",OWXCRQUVFWJFOY-LBILGWDNSA-N
HMDB54079,1046.924141648,C69H122O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,40,43,49,52,66H,4-16,19,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,43-40-,52-49-/t66-/m0/s1",ZWDKOONTJVSWJA,ABLNAWDASA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:2(13Z,16Z))",ZWDKOONTJVSWJA-ABLNAWDASA-N
HMDB54080,1042.89284152,C69H118O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-/t66-/m0/s1",RFECKORLOYRKEQ,SSTDYKOOSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:4(7Z,10Z,13Z,16Z))",RFECKORLOYRKEQ-SSTDYKOOSA-N
HMDB54081,1040.877191455,C69H116O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-/t66-/m0/s1",CJXHISBIUDVURF,AFNQKPDESA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",CJXHISBIUDVURF-AFNQKPDESA-N
HMDB54082,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,40,46,49,62H,4-8,10-11,13-16,19,22-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,40-37-,49-46-/t62-/m1/s1",VCFPWGDRJSPUJW,IUJDFIIASA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:0/18:3(9Z,12Z,15Z))",VCFPWGDRJSPUJW-IUJDFIIASA-N
HMDB54083,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,40,42,45-46,49,62H,4-8,10-11,13-16,19,22-25,28,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,40-37-,45-42-,49-46-/t62-/m1/s1",LQDZSLUJLJGPIQ,ARPBITCMSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:0/18:4(6Z,9Z,12Z,15Z))",LQDZSLUJLJGPIQ-ARPBITCMSA-N
HMDB54084,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,38-39,41-42,48,51,64H,4-7,9-10,12-16,19,22-25,28,31-37,40,43-47,49-50,52-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,51-48-/t64-/m1/s1",OCGMOQBNDHTHIH,UNYIPQQBSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:0/20:4(8Z,11Z,14Z,17Z))",OCGMOQBNDHTHIH-UNYIPQQBSA-N
HMDB54085,1012.845891326,C67H112O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,38-39,41-42,47-48,50-51,64H,4-7,9-10,12-16,19,22-25,28,31-37,40,43-46,49,52-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-/t64-/m1/s1",GVZRSXJNGXWFLD,QDWNNRJTSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",GVZRSXJNGXWFLD-QDWNNRJTSA-N
HMDB54086,1040.877191455,C69H116O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-/t66-/m0/s1",KKCLAIXRNBBNFC,VQUNWQGISA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",KKCLAIXRNBBNFC-VQUNWQGISA-N
HMDB54087,1038.861541391,C69H114O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-/t66-/m0/s1",NMUDUTJZVFUMGO,IHCANMAKSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NMUDUTJZVFUMGO-IHCANMAKSA-N
HMDB54088,980.913576964,C65H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,46,49,63H,4-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b20-17-,29-26-,40-37-,49-46-/t63-/m1/s1",KMZZIINFGCGPQJ,KSYNBDQYSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:0/o-18:0)",KMZZIINFGCGPQJ-KSYNBDQYSA-N
HMDB54089,872.689390676,C57H92O6,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,37-38,40-41,54H,4-14,21-23,28-29,34-36,39,42-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-",FVBYKTPKGFFXNH,ZRRRTUBXSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",FVBYKTPKGFFXNH-ZRRRTUBXSA-N
HMDB54090,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,32,34,39,42,56H,4-14,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,34-32-,42-39-/t56-/m0/s1",KRVGYPMXGXZIIO,GKVYTLIRSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:2(13Z,16Z))",KRVGYPMXGXZIIO-GKVYTLIRSA-N
HMDB54091,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38-39,42,56H,4-14,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m0/s1",ZYRKKZMTAMUMHI,DYBVBBFCSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",ZYRKKZMTAMUMHI-DYBVBBFCSA-N
HMDB54092,898.705040747,C59H94O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-14,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-/t56-/m0/s1",JFKTZDWUYHBYPF,HCZBQLLTSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JFKTZDWUYHBYPF-HCZBQLLTSA-N
HMDB54093,846.673740618,C55H90O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,36,39,52H,4-7,9-10,12-14,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m1/s1",SCQJCKUIROGOTP,KEZJLEOGSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/18:3(9Z,12Z,15Z))",SCQJCKUIROGOTP-KEZJLEOGSA-N
HMDB54094,844.658090554,C55H88O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,33,35-36,39,52H,4-7,9-10,12-14,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-/t52-/m1/s1",LHPDHSNFZNSRRW,GLJGCYACSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",LHPDHSNFZNSRRW-GLJGCYACSA-N
HMDB54095,872.689390682,C57H92O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,38,41,54H,4-6,8-9,11-14,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m1/s1",XIQZCWAQCSPPHY,KTZUBPKWSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",XIQZCWAQCSPPHY-KTZUBPKWSA-N
HMDB54096,870.673740618,C57H90O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,37-38,40-41,54H,4-6,8-9,11-14,21-23,28-29,34-36,39,42-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-/t54-/m1/s1",USHVUTTVYYLRPH,TUMDJXHLSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",USHVUTTVYYLRPH-TUMDJXHLSA-N
HMDB54097,898.705040747,C59H94O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38-39,42,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m0/s1",IPBGJPJUKGIANN,GOIJVVMRSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IPBGJPJUKGIANN-GOIJVVMRSA-N
HMDB54098,896.689390682,C59H92O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-/t56-/m0/s1",NOPRWOFIBWPKFD,LZBVVYKTSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NOPRWOFIBWPKFD-LZBVVYKTSA-N
HMDB54099,838.741426256,C55H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,36,39,53H,4-14,17,20-23,25,27-28,30,32-35,37-38,40-52H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,39-36-/t53-/m1/s1",LCAJDMGZZMLHNH,UNHPYPQYSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/o-18:0)",LCAJDMGZZMLHNH-UNHPYPQYSA-N
HMDB54100,900.720690804,C59H96O6,CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,39-40,42-43,56H,4-15,18,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-",FWBFYCRYECSRNA,LYZIVQQMSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",FWBFYCRYECSRNA-LYZIVQQMSA-N
HMDB54101,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33,36,41,44,58H,4-15,18,22-23,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,44-41-/t58-/m0/s1",QUOPIPXPBUUZQG,YVJZWIEFSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:2(13Z,16Z))",QUOPIPXPBUUZQG-YVJZWIEFSA-N
HMDB54102,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,39,41,44,58H,4-15,18,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m0/s1",OZMXIBIFMCHSQQ,UIUFVOOBSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",OZMXIBIFMCHSQQ-UIUFVOOBSA-N
HMDB54103,926.736340876,C61H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-15,18,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m0/s1",QIIUQGWACFQZSY,GKBCYXKBSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QIIUQGWACFQZSY-GKBCYXKBSA-N
HMDB54104,874.705040747,C57H94O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,38,41,54H,4-7,9-10,12-15,18,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m1/s1",UFMAAZAEPIHMMT,AQUGHZFCSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",UFMAAZAEPIHMMT-AQUGHZFCSA-N
HMDB54105,872.689390682,C57H92O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33-34,37-38,41,54H,4-7,9-10,12-15,18,22-23,28,31-32,35-36,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-,41-38-/t54-/m1/s1",KCGMNFGCPCICGQ,BPHZXZJJSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",KCGMNFGCPCICGQ-BPHZXZJJSA-N
HMDB54106,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,40,43,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m1/s1",QETHLCLILQLBJN,CDPFWHEOSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",QETHLCLILQLBJN-CDPFWHEOSA-N
HMDB54107,898.705040747,C59H94O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,39-40,42-43,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-/t56-/m1/s1",WPNQDWMQIXPCAF,SWFSQLSKSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WPNQDWMQIXPCAF-SWFSQLSKSA-N
HMDB54108,926.736340876,C61H98O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,39,41,44,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m0/s1",LCZRGSKOIBTJTA,OQJJKCGQSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LCZRGSKOIBTJTA-OQJJKCGQSA-N
HMDB54109,924.720690811,C61H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m0/s1",WAXXYEULPJLQFN,SLJFLUFHSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WAXXYEULPJLQFN-SLJFLUFHSA-N
HMDB54110,866.772726384,C57H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,38,41,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-,41-38-/t55-/m1/s1",UJBVBTXTIWQXQY,PXKYUZEYSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/o-18:0)",UJBVBTXTIWQXQY-PXKYUZEYSA-N
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HMDB54113,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46,60H,4-15,18,22-23,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-/t60-/m0/s1",LFLKOLLXMXUPMJ,ZYTPBWEESA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",LFLKOLLXMXUPMJ-ZYTPBWEESA-N
HMDB54114,954.767641004,C63H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-15,18,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",CIFVSTXCBAOUKA,CTCYIRORSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CIFVSTXCBAOUKA-CTCYIRORSA-N
HMDB54115,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30,32,34,40,43,56H,4-7,9-10,12-15,18,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m1/s1",FJMJPLDHASKXTF,JFJMXMEKSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",FJMJPLDHASKXTF-JFJMXMEKSA-N
HMDB54116,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30,32,34,36,39-40,43,56H,4-7,9-10,12-15,18,22-23,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-,43-40-/t56-/m1/s1",BTHJFQWGYLCNCP,RDXFLPGSSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",BTHJFQWGYLCNCP-RDXFLPGSSA-N
HMDB54117,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-36,42,45,58H,4-6,8-9,11-15,18,22-23,27,30-32,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,45-42-/t58-/m1/s1",HDLGIIKYQUAULI,ICUMYAFLSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",HDLGIIKYQUAULI-ICUMYAFLSA-N
HMDB54118,926.736340876,C61H98O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-36,41-42,44-45,58H,4-6,8-9,11-15,18,22-23,27,30-32,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-/t58-/m1/s1",QQFOYDHMZFDGIA,KGOSHSRCSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QQFOYDHMZFDGIA-KGOSHSRCSA-N
HMDB54119,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-/t60-/m0/s1",HLFLGRZVVLYFNK,ODAAOIGVSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HLFLGRZVVLYFNK-ODAAOIGVSA-N
HMDB54120,952.75199094,C63H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1",WJPRJNAUQKKXCZ,GCLWRPFOSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WJPRJNAUQKKXCZ-GCLWRPFOSA-N
HMDB54121,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,34,40,43,57H,4-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-56H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,43-40-/t57-/m1/s1",ZSUORVUZOXBKRZ,RCDIBCAKSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/o-18:0)",ZSUORVUZOXBKRZ-RCDIBCAKSA-N
HMDB54122,928.751990932,C61H100O6,CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,41-42,44-45,58H,4-15,18,21-24,30-31,37-40,43,46-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-",SAEJIAUYIKGGRO,YMUUCLGZSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",SAEJIAUYIKGGRO-YMUUCLGZSA-N
HMDB54123,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34-35,37,43,46,60H,4-15,18,21-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m0/s1",DFYLXTXECVXCKJ,TZUNJPPFSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:2(13Z,16Z))",DFYLXTXECVXCKJ-TZUNJPPFSA-N
HMDB54124,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,37-38,41,43,46,60H,4-15,18,21-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m0/s1",MDNOGAANWQBLFP,IJFRLCCNSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",MDNOGAANWQBLFP-IJFRLCCNSA-N
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HMDB54140,954.767641004,C63H102O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43-44,46-47,60H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,45,48-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-/t60-/m1/s1",IKPPMXCWNQRCFS,KZBAZKMJSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IKPPMXCWNQRCFS-KZBAZKMJSA-N
HMDB54141,982.798941133,C65H106O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,39-40,43,45,48,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-/t62-/m0/s1",IJHVGPWBIKZONW,RAWQADCKSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IJHVGPWBIKZONW-RAWQADCKSA-N
HMDB54142,980.783291069,C65H104O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,39-40,43,45,48-49,52,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-,52-49-/t62-/m0/s1",SDAUBXOTWVTLJM,JXMGCOESSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SDAUBXOTWVTLJM-JXMGCOESSA-N
HMDB54143,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,42,45,59H,4-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,45-42-/t59-/m1/s1",XESJGGUEGALALE,GMDBPKLJSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/o-18:0)",XESJGGUEGALALE-GMDBPKLJSA-N
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HMDB54160,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,38,40,43-44,47,60H,4-8,10-11,13-16,19,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-/t60-/m1/s1",YFGCWKHYYCNTFA,PNKSXRIYSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",YFGCWKHYYCNTFA-PNKSXRIYSA-N
HMDB54161,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,46,49,62H,4-7,9-10,12-16,19,22-24,31-35,38,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,49-46-/t62-/m1/s1",QGTOSWKRSQJRRB,CKKJOIECSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",QGTOSWKRSQJRRB-CKKJOIECSA-N
HMDB54162,982.798941133,C65H106O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,62H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-/t62-/m1/s1",MOJRQRLDKJEOOX,CTAKJUKHSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MOJRQRLDKJEOOX-CTAKJUKHSA-N
HMDB54163,1010.830241262,C67H110O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,38,41-42,45,47,50,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m0/s1",MRUIKUHMIDQZIM,AZNDQOLGSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MRUIKUHMIDQZIM-AZNDQOLGSA-N
HMDB54164,1008.814591198,C67H108O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-/t64-/m0/s1",XVTWJMLKZMCOKF,MKSSXIAESA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XVTWJMLKZMCOKF-MKSSXIAESA-N
HMDB54165,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,44,47,61H,4-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,47-44-/t61-/m1/s1",PVIAPLQIFDZWHV,TUGJCTNUSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/o-18:0)",PVIAPLQIFDZWHV-TUGJCTNUSA-N
HMDB54166,1012.845891316,C67H112O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,38-39,41-42,47-48,50-51,64H,4-16,19,22-24,31-37,40,43-46,49,52-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-",XDQJQRKRTXDKDX,JXLGTEIASA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))",XDQJQRKRTXDKDX-JXLGTEIASA-N
HMDB54167,1044.908491584,C69H120O6,[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,40,43,49,52,66H,4-16,19,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t66-/m0/s1",YZNSTGQVOLCZFH,BYYDDYKLSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:2(13Z,16Z))",YZNSTGQVOLCZFH-BYYDDYKLSA-N
HMDB54168,1040.877191455,C69H116O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,40,43-44,47,49,52,66H,4-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-/t66-/m0/s1",IERKDIPEFUUSQF,YUBLPSPXSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",IERKDIPEFUUSQF-YUBLPSPXSA-N
HMDB54169,1038.861541391,C69H114O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,40,43-44,47,49,52-53,56,66H,4-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-/t66-/m0/s1",AGYYKIFARNGPEU,CTSSIJCNSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AGYYKIFARNGPEU-CTSSIJCNSA-N
HMDB54170,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,40,46,49,62H,4-8,10-11,13-16,19,22-24,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,49-46-/t62-/m1/s1",WPWJIMSJONYWPO,VOJBXSLXSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",WPWJIMSJONYWPO-VOJBXSLXSA-N
HMDB54171,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,40,42,45-46,49,62H,4-8,10-11,13-16,19,22-24,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-,49-46-/t62-/m1/s1",QSUJRHWMLBZBSI,WGQPLALBSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",QSUJRHWMLBZBSI-WGQPLALBSA-N
HMDB54172,1012.845891326,C67H112O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,38-39,41-42,48,51,64H,4-7,9-10,12-16,19,22-24,31-37,40,43-47,49-50,52-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,51-48-/t64-/m1/s1",RVPBDKMTVBOIAG,ANSNWIPVSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",RVPBDKMTVBOIAG-ANSNWIPVSA-N
HMDB54173,1010.830241262,C67H110O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,38-39,41-42,47-48,50-51,64H,4-7,9-10,12-16,19,22-24,31-37,40,43-46,49,52-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-/t64-/m1/s1",GILREUSKPCVGTO,MJHKASONSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",GILREUSKPCVGTO-MJHKASONSA-N
HMDB54174,1038.861541391,C69H114O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,40,43-44,47,49,52,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-/t66-/m0/s1",NNEOJHWRPDAGPF,IBORZTPRSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NNEOJHWRPDAGPF-IBORZTPRSA-N
HMDB54175,1036.845891326,C69H112O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,40,43-44,47,49,52-53,56,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-/t66-/m0/s1",LHXIBPRXZHWXCT,IJJDFAGQSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LHXIBPRXZHWXCT-IJJDFAGQSA-N
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HMDB54196,950.736340876,C63H98O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41-43,45-46,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-/t60-/m0/s1",VIZQCFLIDHFEOI,IYCYXQAMSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VIZQCFLIDHFEOI-IYCYXQAMSA-N
HMDB54197,948.720690811,C63H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-/t60-/m0/s1",JCSPDYCNPJSKHJ,SUEFZEDBSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JCSPDYCNPJSKHJ-SUEFZEDBSA-N
HMDB54198,890.772726384,C59H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,34,38,40-41,43,57H,4-15,17,20,22-24,26,29-30,33,35-37,39,42,44-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-/t57-/m1/s1",NHWKTUJQBFSTSB,DLSLLRQCSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/o-18:0)",NHWKTUJQBFSTSB-DLSLLRQCSA-N
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HMDB54202,980.783291069,C65H104O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,39-40,43,45,48-49,52,62H,4-15,22-24,31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-,52-49-/t62-/m0/s1",AKGKDADGQVDJFQ,IMIHIDGKSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",AKGKDADGQVDJFQ-IMIHIDGKSA-N
HMDB54203,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-33,36,42,45,58H,4-8,10-11,13-15,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m1/s1",DXHMQEMOUGKDHN,LUHQPELBSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/18:3(9Z,12Z,15Z))",DXHMQEMOUGKDHN-LUHQPELBSA-N
HMDB54204,926.736340876,C61H98O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-33,36,38,41-42,45,58H,4-8,10-11,13-15,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-/t58-/m1/s1",RXUKDICUXGWESV,PODPAGJLSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))",RXUKDICUXGWESV-PODPAGJLSA-N
HMDB54205,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-35,37-38,44,47,60H,4-6,8-9,11-15,22-24,31-33,36,39-43,45-46,48-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,47-44-/t60-/m1/s1",RFNMQGVASYUQRC,IBYPJWTQSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))",RFNMQGVASYUQRC-IBYPJWTQSA-N
HMDB54206,952.75199094,C63H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-35,37-38,43-44,46-47,60H,4-6,8-9,11-15,22-24,31-33,36,39-42,45,48-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-/t60-/m1/s1",IYWKHVMWOJKUJQ,FWFDRGOBSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",IYWKHVMWOJKUJQ-FWFDRGOBSA-N
HMDB54207,980.783291069,C65H104O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,39-40,43,45,48,62H,4-6,8-9,11-15,22-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-/t62-/m0/s1",KVYXNXVDUNZWSJ,FNNKRFCDSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",KVYXNXVDUNZWSJ-FNNKRFCDSA-N
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HMDB54218,978.767641004,C65H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,45,48,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-/t62-/m0/s1",KAEODHZECKFAMI,HKTXDWKRSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",KAEODHZECKFAMI-HKTXDWKRSA-N
HMDB54219,976.75199094,C65H100O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-/t62-/m0/s1",JZCOYMPHNKEFBL,OOQCWDLUSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JZCOYMPHNKEFBL-OOQCWDLUSA-N
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HMDB54228,948.720690811,C63H96O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43-48,60H,4-6,8-9,11-15,22-24,31-33,40-42,49-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-/t60-/m1/s1",ZSZOJQVAKZLTTE,XLVOIFGYSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZSZOJQVAKZLTTE-XLVOIFGYSA-N
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HMDB54235,1008.814591198,C67H108O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-15,22-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-/t64-/m0/s1",VMROHGZSFQCGSB,DQQAFIJFSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VMROHGZSFQCGSB-DQQAFIJFSA-N
HMDB54236,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,38,44,47,60H,4-8,10-11,13-15,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m1/s1",VRQORPMJTGLJIF,KVHBMALXSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",VRQORPMJTGLJIF-KVHBMALXSA-N
HMDB54237,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,38,40,43-44,47,60H,4-8,10-11,13-15,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-/t60-/m1/s1",CXUAFHKFYPZCJF,GTDXWILQSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",CXUAFHKFYPZCJF-GTDXWILQSA-N
HMDB54238,982.798941133,C65H106O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,36-37,39-40,46,49,62H,4-7,9-10,12-15,22-24,31-35,38,41-45,47-48,50-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,49-46-/t62-/m1/s1",NLHHPFMLEVJXKC,VIQCOZIASA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",NLHHPFMLEVJXKC-VIQCOZIASA-N
HMDB54239,980.783291069,C65H104O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,36-37,39-40,45-46,48-49,62H,4-7,9-10,12-15,22-24,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-/t62-/m1/s1",WUOIZTCKOHESSM,YDAOOVGJSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WUOIZTCKOHESSM-YDAOOVGJSA-N
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HMDB54338,914.772726384,C61H102O5,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t59-/m1/s1",LUQLTFNFANKATO,ZFESUOFBSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",LUQLTFNFANKATO-ZFESUOFBSA-N
HMDB54339,942.804026513,C63H106O5,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-/t61-/m0/s1",PYQKFCMZOTWMNG,MFLQZJCSSA,N,"TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",PYQKFCMZOTWMNG-MFLQZJCSSA-N
HMDB54340,940.788376449,C63H104O5,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-/t61-/m0/s1",YERJMWWEGCCVST,WNTLVWJISA,N,"TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YERJMWWEGCCVST-WNTLVWJISA-N
HMDB54341,938.830241252,C61H110O6,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,58H,4-15,18,21-23,28-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-",TZHCCHGTCLEUNU,ZBTSZJFVSA,N,"TG(22:2(13Z,16Z)/14:0/22:2(13Z,16Z))",TZHCCHGTCLEUNU-ZBTSZJFVSA-N
HMDB54342,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30,32,36,39,58H,4-15,18,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,39-36-/t58-/m1/s1",KMPSSCWLKHVISJ,JYEBOTEMSA,N,"TG(22:2(13Z,16Z)/14:0/22:4(7Z,10Z,13Z,16Z))",KMPSSCWLKHVISJ-JYEBOTEMSA-N
HMDB54343,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30,32,36,39,44,47,58H,4-15,18,21-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,47-44-/t58-/m1/s1",GTLYIMYQVUFPLK,LLGCORSRSA,N,"TG(22:2(13Z,16Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",GTLYIMYQVUFPLK-LLGCORSRSA-N
HMDB54344,880.75199094,C57H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,54H,4-7,9-10,12-15,18,21-23,27-29,31-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-/t54-/m1/s1",PYDVXTYEQUTPLD,DEPPQGFZSA,N,"TG(22:2(13Z,16Z)/14:0/18:3(9Z,12Z,15Z))",PYDVXTYEQUTPLD-DEPPQGFZSA-N
HMDB54345,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,35,37,54H,4-7,9-10,12-15,18,21-23,27-29,31-34,36,38-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-,37-35-/t54-/m1/s1",DFAJVTSXPYDGMM,NXPQGYMNSA,N,"TG(22:2(13Z,16Z)/14:0/18:4(6Z,9Z,12Z,15Z))",DFAJVTSXPYDGMM-NXPQGYMNSA-N
HMDB54346,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,32,34,56H,4-7,9-10,12-15,18,21-23,28-31,33,35-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-32-/t56-/m1/s1",UPKKUFBLJPRVAY,SDDRTHISSA,N,"TG(22:2(13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z))",UPKKUFBLJPRVAY-SDDRTHISSA-N
HMDB54347,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,32,34,39,42,56H,4-7,9-10,12-15,18,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-32-,42-39-/t56-/m1/s1",BRCLNCGBYPFIRU,WNZCHEBISA,N,"TG(22:2(13Z,16Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",BRCLNCGBYPFIRU-WNZCHEBISA-N
HMDB54348,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30,32,36,39,58H,4-6,8-9,11-15,18,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-/t58-/m1/s1",SDSJXRJNTBWDHH,ABMJRETESA,N,"TG(22:2(13Z,16Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",SDSJXRJNTBWDHH-ABMJRETESA-N
HMDB54349,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30,32,36,39,44,47,58H,4-6,8-9,11-15,18,21-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,47-44-/t58-/m1/s1",XDDVCUCUHFPBMY,WOKPUDBJSA,N,"TG(22:2(13Z,16Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XDDVCUCUHFPBMY-WOKPUDBJSA-N
HMDB54350,872.819676578,C57H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,55H,4-15,17-18,20-23,25,27-54H2,1-3H3/b19-16-,26-24-/t55-/m1/s1",VTOSTYGHEYCLNY,HIMMAGPPSA,N,"TG(22:2(13Z,16Z)/14:0/o-18:0)",VTOSTYGHEYCLNY-HIMMAGPPSA-N
HMDB54351,952.845891316,C62H112O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,59H,4-15,18,21-24,29-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-",FKSUVIHFYQTHLE,YBQWMRSQSA,N,"TG(22:2(13Z,16Z)/15:0/22:2(13Z,16Z))",FKSUVIHFYQTHLE-YBQWMRSQSA-N
HMDB54352,948.814591198,C62H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,37,40,59H,4-15,18,21-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-37-/t59-/m1/s1",LIPFSKANQBSPBJ,UYFGBHDVSA,N,"TG(22:2(13Z,16Z)/15:0/22:4(7Z,10Z,13Z,16Z))",LIPFSKANQBSPBJ-UYFGBHDVSA-N
HMDB54353,946.798941133,C62H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,37,40,45,48,59H,4-15,18,21-24,29-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-37-,48-45-/t59-/m1/s1",DJNSILLJAYVYDR,NKILPHPJSA,N,"TG(22:2(13Z,16Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",DJNSILLJAYVYDR-NKILPHPJSA-N
HMDB54354,894.767641004,C58H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,55H,4-7,9-10,12-15,18,21-24,28-30,32-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-/t55-/m1/s1",SRELQLLYYJKQIX,XEYOPBALSA,N,"TG(22:2(13Z,16Z)/15:0/18:3(9Z,12Z,15Z))",SRELQLLYYJKQIX-XEYOPBALSA-N
HMDB54355,892.75199094,C58H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,36,38,55H,4-7,9-10,12-15,18,21-24,28-30,32-35,37,39-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-,38-36-/t55-/m1/s1",LZHFSYMVOAYQMP,BVLKQMOKSA,N,"TG(22:2(13Z,16Z)/15:0/18:4(6Z,9Z,12Z,15Z))",LZHFSYMVOAYQMP-BVLKQMOKSA-N
HMDB54356,920.783291069,C60H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,35,57H,4-7,9-10,12-15,18,21-24,29-32,34,36-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-33-/t57-/m1/s1",XPCUMSIOMINHAS,HNMXSBHASA,N,"TG(22:2(13Z,16Z)/15:0/20:4(8Z,11Z,14Z,17Z))",XPCUMSIOMINHAS-HNMXSBHASA-N
HMDB54357,918.767641004,C60H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,35,40,43,57H,4-7,9-10,12-15,18,21-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-33-,43-40-/t57-/m1/s1",SAJDBYWIHMFVGG,MUUJXAGTSA,N,"TG(22:2(13Z,16Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",SAJDBYWIHMFVGG-MUUJXAGTSA-N
HMDB54358,946.798941133,C62H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,37,40,59H,4-6,8-9,11-15,18,21-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-37-/t59-/m1/s1",VALXOJFOQZRDCW,QITLIKNDSA,N,"TG(22:2(13Z,16Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",VALXOJFOQZRDCW-QITLIKNDSA-N
HMDB54359,944.783291069,C62H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,37,40,45,48,59H,4-6,8-9,11-15,18,21-24,29-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-37-,48-45-/t59-/m1/s1",CXGHDQNGRWEMDX,SGQXHPRGSA,N,"TG(22:2(13Z,16Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CXGHDQNGRWEMDX-SGQXHPRGSA-N
HMDB54360,886.835326642,C58H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-/t56-/m1/s1",IVWVRDLLWSANBF,HAVOCZCHSA,N,"TG(22:2(13Z,16Z)/15:0/o-18:0)",IVWVRDLLWSANBF-HAVOCZCHSA-N
HMDB54361,966.86154138,C63H114O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,60H,4-15,18,21-24,29-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-",TXHGTEXFFQXVMR,YBQWMRSQSA,N,"TG(22:2(13Z,16Z)/16:0/22:2(13Z,16Z))",TXHGTEXFFQXVMR-YBQWMRSQSA-N
HMDB54362,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,38,40,60H,4-15,18,21-24,29-30,32,34-37,39,41-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-38-/t60-/m1/s1",RHYBXYWAECNXSA,PLCJSFIASA,N,"TG(22:2(13Z,16Z)/16:0/22:4(7Z,10Z,13Z,16Z))",RHYBXYWAECNXSA-PLCJSFIASA-N
HMDB54363,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,38,40,46,49,60H,4-15,18,21-24,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-38-,49-46-/t60-/m1/s1",QJPYOWPNHMATTL,SQSLQZAOSA,N,"TG(22:2(13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",QJPYOWPNHMATTL-SQSLQZAOSA-N
HMDB54364,908.783291069,C59H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,56H,4-7,9-10,12-15,18,21-24,28-30,32-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-/t56-/m1/s1",PXHQXGUZGCRVLW,SOMKTERJSA,N,"TG(22:2(13Z,16Z)/16:0/18:3(9Z,12Z,15Z))",PXHQXGUZGCRVLW-SOMKTERJSA-N
HMDB54365,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,36,39,56H,4-7,9-10,12-15,18,21-24,28-30,32-35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-,39-36-/t56-/m1/s1",HCWPBYAJSUXUHV,UFFMMEJQSA,N,"TG(22:2(13Z,16Z)/16:0/18:4(6Z,9Z,12Z,15Z))",HCWPBYAJSUXUHV-UFFMMEJQSA-N
HMDB54366,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,36,58H,4-7,9-10,12-15,18,21-24,29-32,34-35,37-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-/t58-/m1/s1",DOEVNRVXADRTQL,CLDXSEQKSA,N,"TG(22:2(13Z,16Z)/16:0/20:4(8Z,11Z,14Z,17Z))",DOEVNRVXADRTQL-CLDXSEQKSA-N
HMDB54367,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,36,41,44,58H,4-7,9-10,12-15,18,21-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-,44-41-/t58-/m1/s1",IFZAVSKWARBRLW,MLWHJRKASA,N,"TG(22:2(13Z,16Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",IFZAVSKWARBRLW-MLWHJRKASA-N
HMDB54368,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,40,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-38-/t60-/m1/s1",JGUAQUHBDHZMOZ,AAHCZMGWSA,N,"TG(22:2(13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",JGUAQUHBDHZMOZ-AAHCZMGWSA-N
HMDB54369,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,40,46,49,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-38-,49-46-/t60-/m1/s1",YQSGKRMNUSQKEC,INKGOXPISA,N,"TG(22:2(13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YQSGKRMNUSQKEC-INKGOXPISA-N
HMDB54370,900.850976706,C59H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-/t57-/m1/s1",BDCSDBVNZGJCKJ,ZMJVVNHNSA,N,"TG(22:2(13Z,16Z)/16:0/o-18:0)",BDCSDBVNZGJCKJ-ZMJVVNHNSA-N
HMDB54371,994.892841508,C65H118O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,62H,4-15,18,21-24,27,30-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-",HRWNSYLIGGDWCF,XEUHHCTMSA,N,"TG(22:2(13Z,16Z)/18:0/22:2(13Z,16Z))",HRWNSYLIGGDWCF-XEUHHCTMSA-N
HMDB54372,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,39,42,62H,4-15,18,21-24,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,42-39-/t62-/m1/s1",XYNMSOBLKXUAIT,FBTWPUEOSA,N,"TG(22:2(13Z,16Z)/18:0/22:4(7Z,10Z,13Z,16Z))",XYNMSOBLKXUAIT-FBTWPUEOSA-N
HMDB54373,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,39,42,48,51,62H,4-15,18,21-24,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,42-39-,51-48-/t62-/m1/s1",KQEXJYSHGHRUQX,SQGPKAJWSA,N,"TG(22:2(13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",KQEXJYSHGHRUQX-SQGPKAJWSA-N
HMDB54374,936.814591198,C61H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,32,58H,4-7,9-10,12-15,18,21-24,27,29-31,33-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-/t58-/m1/s1",RZNYHQQCLNYTBA,VDEDKUQKSA,N,"TG(22:2(13Z,16Z)/18:0/18:3(9Z,12Z,15Z))",RZNYHQQCLNYTBA-VDEDKUQKSA-N
HMDB54375,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,32,38,41,58H,4-7,9-10,12-15,18,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,41-38-/t58-/m1/s1",UCGJPCGZLRXUEC,DOHJQNJCSA,N,"TG(22:2(13Z,16Z)/18:0/18:4(6Z,9Z,12Z,15Z))",UCGJPCGZLRXUEC-DOHJQNJCSA-N
HMDB54376,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,37,60H,4-7,9-10,12-15,18,21-24,27,30-34,36,38-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,37-35-/t60-/m1/s1",YOYHAKULCQGNIT,XRNLDNDZSA,N,"TG(22:2(13Z,16Z)/18:0/20:4(8Z,11Z,14Z,17Z))",YOYHAKULCQGNIT-XRNLDNDZSA-N
HMDB54377,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,37,43,46,60H,4-7,9-10,12-15,18,21-24,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,37-35-,46-43-/t60-/m1/s1",QKZHWZUUUCLSMU,ISFQOVCESA,N,"TG(22:2(13Z,16Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",QKZHWZUUUCLSMU-ISFQOVCESA-N
HMDB54378,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,39,42,62H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,42-39-/t62-/m1/s1",VVGZWZUMRWSUQE,KYWFUSFRSA,N,"TG(22:2(13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",VVGZWZUMRWSUQE-KYWFUSFRSA-N
HMDB54379,986.830241252,C65H110O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,39,42,48,51,62H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,42-39-,51-48-",MWQOJJJIEIPAIG,DKIPEGGESA,N,"TG(22:2(13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MWQOJJJIEIPAIG-DKIPEGGESA-N
HMDB54380,928.882276835,C61H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,59H,4-15,17-18,20-24,26-27,29-58H2,1-3H3/b19-16-,28-25-/t59-/m1/s1",OTTHDHMHOBYLKO,UWVPRLFQSA,N,"TG(22:2(13Z,16Z)/18:0/o-18:0)",OTTHDHMHOBYLKO-UWVPRLFQSA-N
HMDB54381,1022.924141636,C67H122O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,64H,4-15,18,21-24,27,30-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-",JWNYZYJWACECQF,XEUHHCTMSA,N,"TG(22:2(13Z,16Z)/20:0/22:2(13Z,16Z))",JWNYZYJWACECQF-XEUHHCTMSA-N
HMDB54382,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,41,44,64H,4-15,18,21-24,27,30-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,44-41-/t64-/m1/s1",LVIHJUROJDOICH,VDEDWNKASA,N,"TG(22:2(13Z,16Z)/20:0/22:4(7Z,10Z,13Z,16Z))",LVIHJUROJDOICH-VDEDWNKASA-N
HMDB54383,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,41,44,50,53,64H,4-15,18,21-24,27,30-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,44-41-,53-50-/t64-/m1/s1",FLKDCAMVDVKQSB,VQZFLHBWSA,N,"TG(22:2(13Z,16Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",FLKDCAMVDVKQSB-VQZFLHBWSA-N
HMDB54384,964.845891326,C63H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,34,60H,4-8,10-11,13-15,17,20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-27-/t60-/m1/s1",VHWHMIVHTCKTPQ,QUDRZTQTSA,N,"TG(22:2(13Z,16Z)/20:0/18:3(9Z,12Z,15Z))",VHWHMIVHTCKTPQ-QUDRZTQTSA-N
HMDB54385,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,34,40,43,60H,4-8,10-11,13-15,17,20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-27-,43-40-/t60-/m1/s1",PNWARPKMZYMSHQ,STHNRUHZSA,N,"TG(22:2(13Z,16Z)/20:0/18:4(6Z,9Z,12Z,15Z))",PNWARPKMZYMSHQ-STHNRUHZSA-N
HMDB54386,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,36,39,62H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-/t62-/m1/s1",FITVHOGUUCONML,LOPKOPBVSA,N,"TG(22:2(13Z,16Z)/20:0/20:4(8Z,11Z,14Z,17Z))",FITVHOGUUCONML-LOPKOPBVSA-N
HMDB54387,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,36,39,45,48,62H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-,48-45-/t62-/m1/s1",VBRFOXHQHPXRTJ,HRORSOOBSA,N,"TG(22:2(13Z,16Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",VBRFOXHQHPXRTJ-HRORSOOBSA-N
HMDB54388,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,36,41,44,64H,4-6,8-9,11-15,18,21-24,27,30-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,44-41-/t64-/m1/s1",POTKGHXKFVKNFK,SIIGICJASA,N,"TG(22:2(13Z,16Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",POTKGHXKFVKNFK-SIIGICJASA-N
HMDB54389,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,36,41,44,50,53,64H,4-6,8-9,11-15,18,21-24,27,30-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,44-41-,53-50-/t64-/m1/s1",HRGDQXUMQXKBDT,OCKDOWRCSA,N,"TG(22:2(13Z,16Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HRGDQXUMQXKBDT-OCKDOWRCSA-N
HMDB54390,956.913576964,C63H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,61H,4-15,17-18,20-24,26-27,29-60H2,1-3H3/b19-16-,28-25-/t61-/m1/s1",NOYWGHLJUCUPFJ,MBBOPVOTSA,N,"TG(22:2(13Z,16Z)/20:0/o-18:0)",NOYWGHLJUCUPFJ-MBBOPVOTSA-N
HMDB54391,1050.955441764,C69H126O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,66H,4-15,18,21-24,27,30-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-",ZKWIXWCZKPFCJD,XEUHHCTMSA,N,"TG(22:2(13Z,16Z)/22:0/22:2(13Z,16Z))",ZKWIXWCZKPFCJD-XEUHHCTMSA-N
HMDB54392,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,43,46,66H,4-15,18,21-24,27,30-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,46-43-/t66-/m1/s1",HDNQNLXTEQZWFB,QFCGAHPXSA,N,"TG(22:2(13Z,16Z)/22:0/22:4(7Z,10Z,13Z,16Z))",HDNQNLXTEQZWFB-QFCGAHPXSA-N
HMDB54393,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,43,46,52,55,66H,4-15,18,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-/t66-/m1/s1",JLLWEBDVTOGLHZ,NZXKFFQISA,N,"TG(22:2(13Z,16Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",JLLWEBDVTOGLHZ-NZXKFFQISA-N
HMDB54394,992.877191455,C65H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,36,62H,4-8,10-11,13-15,17,20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,36-27-/t62-/m1/s1",MSZIOCWBXQJJLS,SZSPTCJDSA,N,"TG(22:2(13Z,16Z)/22:0/18:3(9Z,12Z,15Z))",MSZIOCWBXQJJLS-SZSPTCJDSA-N
HMDB54395,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,36,42,45,62H,4-8,10-11,13-15,17,20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,36-27-,45-42-/t62-/m1/s1",GEVGYUABKMHDLZ,ZVYDKWCOSA,N,"TG(22:2(13Z,16Z)/22:0/18:4(6Z,9Z,12Z,15Z))",GEVGYUABKMHDLZ-ZVYDKWCOSA-N
HMDB54396,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,38,41,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-37,39-40,42-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,41-38-/t64-/m1/s1",MNFGRTBANLIJCB,TXISPELESA,N,"TG(22:2(13Z,16Z)/22:0/20:4(8Z,11Z,14Z,17Z))",MNFGRTBANLIJCB-TXISPELESA-N
HMDB54397,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,38,41,47,50,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,41-38-,50-47-/t64-/m1/s1",FXXVVDXJJZBQDX,XVLHSFKUSA,N,"TG(22:2(13Z,16Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",FXXVVDXJJZBQDX-XVLHSFKUSA-N
HMDB54398,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34,37,43,46,66H,4-6,8-9,11-15,18,21-24,27,30-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,46-43-/t66-/m1/s1",NSMRUAXIJNXKKF,TXPVTMNMSA,N,"TG(22:2(13Z,16Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",NSMRUAXIJNXKKF-TXPVTMNMSA-N
HMDB54399,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34,37,43,46,52,55,66H,4-6,8-9,11-15,18,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-/t66-/m1/s1",WGILVULGYKLCCN,CUQJHTCJSA,N,"TG(22:2(13Z,16Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WGILVULGYKLCCN-CUQJHTCJSA-N
HMDB54400,984.944877093,C65H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,63H,4-15,17-18,20-24,26-27,29-62H2,1-3H3/b19-16-,28-25-/t63-/m1/s1",MFWVCAZNSKXFFF,CXLVNTCKSA,N,"TG(22:2(13Z,16Z)/22:0/o-18:0)",MFWVCAZNSKXFFF-CXLVNTCKSA-N
HMDB54401,1078.986741892,C71H130O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,68H,4-16,19,22-25,28,31-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-",RDCPYQBRCVRWJU,FTHRAJORSA,N,"TG(22:2(13Z,16Z)/24:0/22:2(13Z,16Z))",RDCPYQBRCVRWJU-FTHRAJORSA-N
HMDB54402,1074.955441777,C71H126O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36,39,45,48,68H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",PYJGNDCMFXDDPV,YKRXTDFPSA,N,"TG(22:2(13Z,16Z)/24:0/22:4(7Z,10Z,13Z,16Z))",PYJGNDCMFXDDPV-YKRXTDFPSA-N
HMDB54403,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36,39,45,48,54,57,68H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",UWWOFLUDDJFTKP,GBQUTBKGSA,N,"TG(22:2(13Z,16Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",UWWOFLUDDJFTKP-GBQUTBKGSA-N
HMDB54404,1020.908491584,C67H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,38,64H,4-8,10-11,13-16,19,22-25,28,30-37,39-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,38-27-/t64-/m1/s1",HIKNYARCMKJBDG,ILCGIJNTSA,N,"TG(22:2(13Z,16Z)/24:0/18:3(9Z,12Z,15Z))",HIKNYARCMKJBDG-ILCGIJNTSA-N
HMDB54405,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,38,44,47,64H,4-8,10-11,13-16,19,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,38-27-,47-44-/t64-/m1/s1",NQWRXQIXZXNAMV,FYYMSCDLSA,N,"TG(22:2(13Z,16Z)/24:0/18:4(6Z,9Z,12Z,15Z))",NQWRXQIXZXNAMV-FYYMSCDLSA-N
HMDB54406,1046.924141648,C69H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,40,43,66H,4-8,10-11,13-16,19,22-25,28,31-39,41-42,44-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,43-40-/t66-/m1/s1",OJIFSPJTYFCGAD,MUXKUHMWSA,N,"TG(22:2(13Z,16Z)/24:0/20:4(8Z,11Z,14Z,17Z))",OJIFSPJTYFCGAD-MUXKUHMWSA-N
HMDB54407,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,40,43,49,52,66H,4-8,10-11,13-16,19,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",GIVWZCUKFLNHLK,MYWCAFADSA,N,"TG(22:2(13Z,16Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",GIVWZCUKFLNHLK-MYWCAFADSA-N
HMDB54408,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36,39,45,48,68H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",QYHZKOYRVYLUSJ,PDLDVCIKSA,N,"TG(22:2(13Z,16Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",QYHZKOYRVYLUSJ-PDLDVCIKSA-N
HMDB54409,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",XQLCJPCILCSQJU,HYBWEXDPSA,N,"TG(22:2(13Z,16Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XQLCJPCILCSQJU-HYBWEXDPSA-N
HMDB54410,1012.976177222,C67H128O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,65H,4-16,18-19,21-25,27-28,30-64H2,1-3H3/b20-17-,29-26-/t65-/m1/s1",LYKAFAFTMXFCIW,WSXZBVCTSA,N,"TG(22:2(13Z,16Z)/24:0/o-18:0)",LYKAFAFTMXFCIW-WSXZBVCTSA-N
HMDB54411,936.814591188,C61H108O6,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,58H,4-14,21-23,28-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-",IDCKAPBJDPVTFY,RWBIAYFFSA,N,"TG(22:2(13Z,16Z)/14:1(9Z)/22:2(13Z,16Z))",IDCKAPBJDPVTFY-RWBIAYFFSA-N
HMDB54412,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30,32,36,39,58H,4-14,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-/t58-/m1/s1",HVUYQVBNYUCQDN,DRHABCAASA,N,"TG(22:2(13Z,16Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",HVUYQVBNYUCQDN-DRHABCAASA-N
HMDB54413,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30,32,36,39,44,47,58H,4-14,21-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,47-44-/t58-/m1/s1",IDATZYILXAQESW,UQLQTRGNSA,N,"TG(22:2(13Z,16Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IDATZYILXAQESW-UQLQTRGNSA-N
HMDB54414,878.736340876,C57H98O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,30,54H,4-7,9-10,12-14,21-23,27-29,31-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,30-25-/t54-/m1/s1",SABPYBQHAWYVDA,BBYXFBCDSA,N,"TG(22:2(13Z,16Z)/14:1(9Z)/18:3(9Z,12Z,15Z))",SABPYBQHAWYVDA-BBYXFBCDSA-N
HMDB54415,876.720690811,C57H96O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,30,35,37,54H,4-7,9-10,12-14,21-23,27-29,31-34,36,38-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,30-25-,37-35-/t54-/m1/s1",GVPNSUFCFFZFAD,MWYFCTLISA,N,"TG(22:2(13Z,16Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",GVPNSUFCFFZFAD-MWYFCTLISA-N
HMDB54416,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,32,34,56H,4-7,9-10,12-14,21-23,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-32-/t56-/m1/s1",QWGLLVUHPAWABE,QIHPNGQQSA,N,"TG(22:2(13Z,16Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",QWGLLVUHPAWABE-QIHPNGQQSA-N
HMDB54417,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,32,34,39,42,56H,4-7,9-10,12-14,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-32-,42-39-/t56-/m1/s1",JNZMWDKNQGFOCL,WZTFFXQBSA,N,"TG(22:2(13Z,16Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JNZMWDKNQGFOCL-WZTFFXQBSA-N
HMDB54418,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30,32,36,39,58H,4-6,8-9,11-14,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-/t58-/m1/s1",BLDBHJJQQVKMIR,HLOUUGQWSA,N,"TG(22:2(13Z,16Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BLDBHJJQQVKMIR-HLOUUGQWSA-N
HMDB54419,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30,32,36,39,44,47,58H,4-6,8-9,11-14,21-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,47-44-/t58-/m1/s1",KWDDARWPZGHKEC,KKTSKRPHSA,N,"TG(22:2(13Z,16Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KWDDARWPZGHKEC-KKTSKRPHSA-N
HMDB54420,870.804026513,C57H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,55H,4-14,17,20-23,25,27-54H2,1-3H3/b18-15-,19-16-,26-24-/t55-/m1/s1",FYQUINNRFMMPKJ,OFNFBCEFSA,N,"TG(22:2(13Z,16Z)/14:1(9Z)/o-18:0)",FYQUINNRFMMPKJ-OFNFBCEFSA-N
HMDB54421,964.845891316,C63H112O6,CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,60H,4-15,18,22-23,29-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-",ABQOBDXXEGCQPI,BDMHOKOOSA,N,"TG(22:2(13Z,16Z)/16:1(9Z)/22:2(13Z,16Z))",ABQOBDXXEGCQPI-BDMHOKOOSA-N
HMDB54422,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31,33,38,40,60H,4-15,18,22-23,29-30,32,34-37,39,41-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,40-38-/t60-/m1/s1",JMRVOULEKCIWPY,CMXCKKBJSA,N,"TG(22:2(13Z,16Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",JMRVOULEKCIWPY-CMXCKKBJSA-N
HMDB54423,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31,33,38,40,46,49,60H,4-15,18,22-23,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,40-38-,49-46-/t60-/m1/s1",LLFPJINNFLWCHE,MZYBPWIQSA,N,"TG(22:2(13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LLFPJINNFLWCHE-MZYBPWIQSA-N
HMDB54424,906.767641004,C59H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,31,56H,4-7,9-10,12-15,18,22-23,28-30,32-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,31-26-/t56-/m1/s1",PGXLQPICCVLPST,RVEWMSFOSA,N,"TG(22:2(13Z,16Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",PGXLQPICCVLPST-RVEWMSFOSA-N
HMDB54425,904.75199094,C59H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,31,36,39,56H,4-7,9-10,12-15,18,22-23,28-30,32-35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,31-26-,39-36-/t56-/m1/s1",PTMRJFQMTLUSMK,WRTBWAJHSA,N,"TG(22:2(13Z,16Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",PTMRJFQMTLUSMK-WRTBWAJHSA-N
HMDB54426,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,33,36,58H,4-7,9-10,12-15,18,22-23,29-32,34-35,37-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-/t58-/m1/s1",LIBDLUYWAOPLSD,BEFXHLHKSA,N,"TG(22:2(13Z,16Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",LIBDLUYWAOPLSD-BEFXHLHKSA-N
HMDB54427,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,33,36,41,44,58H,4-7,9-10,12-15,18,22-23,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,44-41-/t58-/m1/s1",GMNKMMXYTFWXNK,NFGUOKGMSA,N,"TG(22:2(13Z,16Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",GMNKMMXYTFWXNK-NFGUOKGMSA-N
HMDB54428,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31,33,38,40,60H,4-6,8-9,11-15,18,22-23,29-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,40-38-/t60-/m1/s1",MLKZMSXRVHKPIC,DSBJIPCYSA,N,"TG(22:2(13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MLKZMSXRVHKPIC-DSBJIPCYSA-N
HMDB54429,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31,33,38,40,46,49,60H,4-6,8-9,11-15,18,22-23,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,40-38-,49-46-/t60-/m1/s1",UJZZUTNWRYJMTF,HCENVZTBSA,N,"TG(22:2(13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UJZZUTNWRYJMTF-HCENVZTBSA-N
HMDB54430,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,57H,4-15,17-18,20,22-23,26,28-56H2,1-3H3/b19-16-,24-21-,27-25-/t57-/m1/s1",GZOHDACWJYJSDW,GKTQRKKRSA,N,"TG(22:2(13Z,16Z)/16:1(9Z)/o-18:0)",GZOHDACWJYJSDW-GKTQRKKRSA-N
HMDB54431,992.877191444,C65H116O6,CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,62H,4-15,18,22-23,27,30-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-",WDFKGADSSPLUDB,LNZLXKATSA,N,"TG(22:2(13Z,16Z)/18:1(11Z)/22:2(13Z,16Z))",WDFKGADSSPLUDB-LNZLXKATSA-N
HMDB54432,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32,34,39,42,62H,4-15,18,22-23,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,42-39-/t62-/m1/s1",NXTPQSHPTTVVLQ,FEHGMREBSA,N,"TG(22:2(13Z,16Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",NXTPQSHPTTVVLQ-FEHGMREBSA-N
HMDB54433,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32,34,39,42,48,51,62H,4-15,18,22-23,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,42-39-,51-48-/t62-/m1/s1",RIYMYGPMHNSAOW,SHOHRDQPSA,N,"TG(22:2(13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RIYMYGPMHNSAOW-SHOHRDQPSA-N
HMDB54434,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,32,58H,4-7,9-10,12-15,18,22-23,27,29-31,33-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,32-26-/t58-/m1/s1",CSZNTWCLAJUIKA,SYOKYLLOSA,N,"TG(22:2(13Z,16Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",CSZNTWCLAJUIKA-SYOKYLLOSA-N
HMDB54435,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,32,38,41,58H,4-7,9-10,12-15,18,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,32-26-,41-38-/t58-/m1/s1",JCXCYDBLHUYFIO,NRSOHTEKSA,N,"TG(22:2(13Z,16Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",JCXCYDBLHUYFIO-NRSOHTEKSA-N
HMDB54436,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,35,37,60H,4-7,9-10,12-15,18,22-23,27,30-34,36,38-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,37-35-/t60-/m1/s1",CZXMCGWHDUKJSM,YLCDSDEZSA,N,"TG(22:2(13Z,16Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",CZXMCGWHDUKJSM-YLCDSDEZSA-N
HMDB54437,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,35,37,43,46,60H,4-7,9-10,12-15,18,22-23,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,37-35-,46-43-/t60-/m1/s1",SOXFSPJIIHJCEP,NWRUXTBRSA,N,"TG(22:2(13Z,16Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SOXFSPJIIHJCEP-NWRUXTBRSA-N
HMDB54438,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32,34,39,42,62H,4-6,8-9,11-15,18,22-23,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,42-39-/t62-/m1/s1",DORLFTXZZBURHN,PGRRRSAJSA,N,"TG(22:2(13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DORLFTXZZBURHN-PGRRRSAJSA-N
HMDB54439,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32,34,39,42,48,51,62H,4-6,8-9,11-15,18,22-23,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,42-39-,51-48-/t62-/m1/s1",GHRZTDFPRSGTJG,GTMGLKSZSA,N,"TG(22:2(13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GHRZTDFPRSGTJG-GTMGLKSZSA-N
HMDB54440,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,59H,4-15,17-18,20,22-23,26-27,29-58H2,1-3H3/b19-16-,24-21-,28-25-/t59-/m1/s1",QZTJDZZOESOVDE,BHNDFJEDSA,N,"TG(22:2(13Z,16Z)/18:1(11Z)/o-18:0)",QZTJDZZOESOVDE-BHNDFJEDSA-N
HMDB54441,992.877191444,C65H116O6,CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,36,62H,4-15,18,21-24,30-35,37-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-27-",VMCQJXYJXCLUEU,IAZIEQTLSA,N,"TG(22:2(13Z,16Z)/18:1(9Z)/22:2(13Z,16Z))",VMCQJXYJXCLUEU-IAZIEQTLSA-N
HMDB54442,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32,34,36,39,42,62H,4-15,18,21-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,42-39-/t62-/m1/s1",KIRZZEKRGWMFAV,AEFLRXRCSA,N,"TG(22:2(13Z,16Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",KIRZZEKRGWMFAV-AEFLRXRCSA-N
HMDB54443,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32,34,36,39,42,48,51,62H,4-15,18,21-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",IVYSLFUGGVUVIA,ARZKSGHVSA,N,"TG(22:2(13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IVYSLFUGGVUVIA-ARZKSGHVSA-N
HMDB54444,934.798941133,C61H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32-33,58H,4-7,9-10,12-15,18,21-24,29-31,34-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,33-27-/t58-/m1/s1",MMHBWORAVDBTCA,ZOUQNJTLSA,N,"TG(22:2(13Z,16Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",MMHBWORAVDBTCA-ZOUQNJTLSA-N
HMDB54445,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32-33,38,41,58H,4-7,9-10,12-15,18,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,33-27-,41-38-/t58-/m1/s1",VQLUTZHKHRUKTB,SHIWHLJISA,N,"TG(22:2(13Z,16Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",VQLUTZHKHRUKTB-SHIWHLJISA-N
HMDB54446,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34-35,37,60H,4-7,9-10,12-15,18,21-24,30-33,36,38-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,37-35-/t60-/m1/s1",CENQKBWWUWMQCO,ROUZQHOGSA,N,"TG(22:2(13Z,16Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",CENQKBWWUWMQCO-ROUZQHOGSA-N
HMDB54447,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34-35,37,43,46,60H,4-7,9-10,12-15,18,21-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",YDXADNGEUYJWKH,QJKCEVQZSA,N,"TG(22:2(13Z,16Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YDXADNGEUYJWKH-QJKCEVQZSA-N
HMDB54448,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32,34,36,39,42,62H,4-6,8-9,11-15,18,21-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,42-39-/t62-/m1/s1",XPHUQGRTRBJUIN,DRSPDDFYSA,N,"TG(22:2(13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XPHUQGRTRBJUIN-DRSPDDFYSA-N
HMDB54449,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32,34,36,39,42,48,51,62H,4-6,8-9,11-15,18,21-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",QTEXVUULJUQNFU,KUJNDXATSA,N,"TG(22:2(13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QTEXVUULJUQNFU-KUJNDXATSA-N
HMDB54450,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,33,59H,4-15,17-18,20-24,26,29-32,34-58H2,1-3H3/b19-16-,28-25-,33-27-/t59-/m1/s1",AEOBRAGXLFVMRE,PSBJUOIMSA,N,"TG(22:2(13Z,16Z)/18:1(9Z)/o-18:0)",AEOBRAGXLFVMRE-PSBJUOIMSA-N
HMDB54451,1020.908491572,C67H120O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,64H,4-15,18,21-24,31-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-",IHBJOHIKUVTUBW,GGDOOUPISA,N,"TG(22:2(13Z,16Z)/20:1(11Z)/22:2(13Z,16Z))",IHBJOHIKUVTUBW-GGDOOUPISA-N
HMDB54452,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,41,44,64H,4-15,18,21-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,44-41-/t64-/m1/s1",NHUJTVPKHMIHOA,PTCPVCDNSA,N,"TG(22:2(13Z,16Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",NHUJTVPKHMIHOA-PTCPVCDNSA-N
HMDB54453,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,41,44,50,53,64H,4-15,18,21-24,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-/t64-/m1/s1",RIUCZGMHUGLCGJ,KKONAXGNSA,N,"TG(22:2(13Z,16Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RIUCZGMHUGLCGJ-KKONAXGNSA-N
HMDB54454,962.830241262,C63H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",IMKJVBUOLHLZAH,USEOZZBRSA,N,"TG(22:2(13Z,16Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",IMKJVBUOLHLZAH-USEOZZBRSA-N
HMDB54455,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,40,43,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",JXEGKSFQVTWBBK,OSIFNLFLSA,N,"TG(22:2(13Z,16Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",JXEGKSFQVTWBBK-OSIFNLFLSA-N
HMDB54456,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,36,39,62H,4-7,9-10,12-15,18,21-24,31-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",VZBBSGBJWDANFX,AVLGGDDWSA,N,"TG(22:2(13Z,16Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",VZBBSGBJWDANFX-AVLGGDDWSA-N
HMDB54457,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,36,39,45,48,62H,4-7,9-10,12-15,18,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",LVHRVRCJAYQBST,CXPGZPPRSA,N,"TG(22:2(13Z,16Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LVHRVRCJAYQBST-CXPGZPPRSA-N
HMDB54458,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,41,44,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,44-41-/t64-/m1/s1",FLFSHGUVCHMHMW,XXPIAKTNSA,N,"TG(22:2(13Z,16Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FLFSHGUVCHMHMW-XXPIAKTNSA-N
HMDB54459,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,41,44,50,53,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-/t64-/m1/s1",ITADDDQQASHIDL,MRARXLLMSA,N,"TG(22:2(13Z,16Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ITADDDQQASHIDL-MRARXLLMSA-N
HMDB54460,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,61H,4-15,17-18,20-24,27,30-60H2,1-3H3/b19-16-,28-25-,29-26-/t61-/m1/s1",KQSNLSIDQBGKLE,LKSFEHELSA,N,"TG(22:2(13Z,16Z)/20:1(11Z)/o-18:0)",KQSNLSIDQBGKLE-LKSFEHELSA-N
HMDB54461,1016.877191444,C67H116O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,40,43,49,52,64H,4-15,18,21-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,43-40-,52-49-",HMWOQNFSLIEDHZ,KTTUWMHKSA,N,"TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))",HMWOQNFSLIEDHZ-KTTUWMHKSA-N
HMDB54462,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,40-41,43-44,49,52,64H,4-15,18,21-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",QJPMKTLFTAONTK,XLBMHZGLSA,N,"TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",QJPMKTLFTAONTK-XLBMHZGLSA-N
HMDB54463,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-15,18,21-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",ZRMNSGBZKGULDW,LFIGSCTLSA,N,"TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZRMNSGBZKGULDW-LFIGSCTLSA-N
HMDB54464,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,36,39,45,48,60H,4-8,10-11,13-15,17,20,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",KUWKDKKFKVFAGR,NLVJTZQVSA,N,"TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",KUWKDKKFKVFAGR-NLVJTZQVSA-N
HMDB54465,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,36,39-40,43,45,48,60H,4-8,10-11,13-15,17,20,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",YHQURYLTBPXJMG,ONBAMPIVSA,N,"TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))",YHQURYLTBPXJMG-ONBAMPIVSA-N
HMDB54466,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,36,38-39,41,47,50,62H,4-7,9-10,12-15,18,21-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",JUJLFVUFJMWSQA,MSFWEDJLSA,N,"TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",JUJLFVUFJMWSQA-MSFWEDJLSA-N
HMDB54467,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-15,18,21-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",ZDJCDIBZKQXJRO,DYRGBCTESA,N,"TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZDJCDIBZKQXJRO-DYRGBCTESA-N
HMDB54468,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",GIVHACODULBUDV,HXPBVBBOSA,N,"TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GIVHACODULBUDV-HXPBVBBOSA-N
HMDB54469,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",BURRJPHMNGTLCW,ZEZNCJALSA,N,"TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BURRJPHMNGTLCW-ZEZNCJALSA-N
HMDB54470,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,36,39,45,48,61H,4-15,17-18,20-24,27,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b19-16-,28-25-,29-26-,39-36-,48-45-/t61-/m1/s1",YKIKYETUKYLZGC,SHGGJAQKSA,N,"TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/o-18:0)",YKIKYETUKYLZGC-SHGGJAQKSA-N
HMDB54471,1048.9397917,C69H124O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,66H,4-15,18,21-24,31-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-",BDSGJXBNXDHFRR,GGDOOUPISA,N,"TG(22:2(13Z,16Z)/22:1(13Z)/22:2(13Z,16Z))",BDSGJXBNXDHFRR-GGDOOUPISA-N
HMDB54472,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,43,46,66H,4-15,18,21-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-/t66-/m1/s1",IXRVWMWLRDDCAJ,DSHPNKAKSA,N,"TG(22:2(13Z,16Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",IXRVWMWLRDDCAJ-DSHPNKAKSA-N
HMDB54473,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,43,46,52,55,66H,4-15,18,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t66-/m1/s1",VEYOLFBSKHLYFP,HUCVQWAWSA,N,"TG(22:2(13Z,16Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VEYOLFBSKHLYFP-HUCVQWAWSA-N
HMDB54474,990.861541391,C65H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,36,62H,4-8,10-11,13-15,17,20,22-24,30-35,37-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",QZUQOPMNMWQEAN,KMXKTJGOSA,N,"TG(22:2(13Z,16Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",QZUQOPMNMWQEAN-KMXKTJGOSA-N
HMDB54475,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,36,42,45,62H,4-8,10-11,13-15,17,20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",AYLROBIBEGAPLY,FEEYFFSTSA,N,"TG(22:2(13Z,16Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",AYLROBIBEGAPLY-FEEYFFSTSA-N
HMDB54476,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,38,41,64H,4-8,10-11,13-15,17,20,22-24,31-37,39-40,42-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",AOROAGNILVVJNM,DQGAVLDESA,N,"TG(22:2(13Z,16Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",AOROAGNILVVJNM-DQGAVLDESA-N
HMDB54477,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,38,41,47,50,64H,4-8,10-11,13-15,17,20,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",HDQGTQKUFXZHPI,NTUOLSPVSA,N,"TG(22:2(13Z,16Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HDQGTQKUFXZHPI-NTUOLSPVSA-N
HMDB54478,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34,37,43,46,66H,4-6,8-9,11-15,18,21-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-/t66-/m1/s1",SIOXBMOYCINYOO,AEEPFXBQSA,N,"TG(22:2(13Z,16Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SIOXBMOYCINYOO-AEEPFXBQSA-N
HMDB54479,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34,37,43,46,52,55,66H,4-6,8-9,11-15,18,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t66-/m1/s1",BRVAHLOXYDKMKW,MPPZVVSHSA,N,"TG(22:2(13Z,16Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BRVAHLOXYDKMKW-MPPZVVSHSA-N
HMDB54480,982.929227028,C65H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,63H,4-15,17-18,20-24,27,30-62H2,1-3H3/b19-16-,28-25-,29-26-/t63-/m1/s1",UJEVNRVPQPTDLP,WYSFQSQESA,N,"TG(22:2(13Z,16Z)/22:1(13Z)/o-18:0)",UJEVNRVPQPTDLP-WYSFQSQESA-N
HMDB54481,1076.971091828,C71H128O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,68H,4-16,19,22-24,31-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-",NHNHZJAAMUTDEW,MVRVGECWSA,N,"TG(22:2(13Z,16Z)/24:1(15Z)/22:2(13Z,16Z))",NHNHZJAAMUTDEW-MVRVGECWSA-N
HMDB54482,1072.939791713,C71H124O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36,39,45,48,68H,4-16,19,22-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",HYNOEVUCBMZYCD,KFOCXGEJSA,N,"TG(22:2(13Z,16Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",HYNOEVUCBMZYCD-KFOCXGEJSA-N
HMDB54483,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36,39,45,48,54,57,68H,4-16,19,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",WAPUXZPQGIHZJD,KLQVBJNUSA,N,"TG(22:2(13Z,16Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WAPUXZPQGIHZJD-KLQVBJNUSA-N
HMDB54484,1018.89284152,C67H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,64H,4-8,10-11,13-16,19,22-24,30-37,39-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-/t64-/m1/s1",GPKKERCJIMDSOX,UODJBVOYSA,N,"TG(22:2(13Z,16Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",GPKKERCJIMDSOX-UODJBVOYSA-N
HMDB54485,1016.877191455,C67H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,44,47,64H,4-8,10-11,13-16,19,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-,47-44-/t64-/m1/s1",XVGJXCLCMRGDGZ,BQUFTRTCSA,N,"TG(22:2(13Z,16Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",XVGJXCLCMRGDGZ-BQUFTRTCSA-N
HMDB54486,1044.908491584,C69H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,40,43,66H,4-8,10-11,13-16,19,22-24,31-39,41-42,44-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-/t66-/m1/s1",GIMVHFWKYRFQMT,GCHYVMNBSA,N,"TG(22:2(13Z,16Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",GIMVHFWKYRFQMT-GCHYVMNBSA-N
HMDB54487,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,40,43,49,52,66H,4-8,10-11,13-16,19,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-/t66-/m1/s1",UJIRPQOLAPMHIN,GUFLWWSJSA,N,"TG(22:2(13Z,16Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",UJIRPQOLAPMHIN-GUFLWWSJSA-N
HMDB54488,1070.924141648,C71H122O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36,39,45,48,68H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1",IDYAQGDYETXQIW,UOTNYSBBSA,N,"TG(22:2(13Z,16Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IDYAQGDYETXQIW-UOTNYSBBSA-N
HMDB54489,1068.908491584,C71H120O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1",UTLNXFPFOXIXLY,DXTKIXAQSA,N,"TG(22:2(13Z,16Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UTLNXFPFOXIXLY-DXTKIXAQSA-N
HMDB54490,1010.960527157,C67H126O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,65H,4-16,18-19,21-24,27,30-64H2,1-3H3/b20-17-,28-25-,29-26-/t65-/m1/s1",AWTYKEJSXSYOCP,VMNTVSPWSA,N,"TG(22:2(13Z,16Z)/24:1(15Z)/o-18:0)",AWTYKEJSXSYOCP-VMNTVSPWSA-N
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HMDB54494,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,32-33,58H,4-7,9-10,12-15,22-24,29-31,34-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-/t58-/m1/s1",PLBAWALAPNJSEX,ZYZWENAUSA,N,"TG(22:2(13Z,16Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",PLBAWALAPNJSEX-ZYZWENAUSA-N
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HMDB54496,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34-35,37,60H,4-7,9-10,12-15,22-24,30-33,36,38-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-/t60-/m1/s1",DSHWDOGQDLMJNI,DMCQEOTGSA,N,"TG(22:2(13Z,16Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",DSHWDOGQDLMJNI-DMCQEOTGSA-N
HMDB54497,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34-35,37,43,46,60H,4-7,9-10,12-15,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",NFXBUAHCKPMYSD,AQLBYAKASA,N,"TG(22:2(13Z,16Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NFXBUAHCKPMYSD-AQLBYAKASA-N
HMDB54498,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32,34,36,39,42,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-/t62-/m1/s1",UTINCNAUUCCIHS,IPZZXMPBSA,N,"TG(22:2(13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UTINCNAUUCCIHS-IPZZXMPBSA-N
HMDB54499,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32,34,36,39,42,48,51,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",UTVPNIPVBCIVDU,JDROJAFESA,N,"TG(22:2(13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UTVPNIPVBCIVDU-JDROJAFESA-N
HMDB54500,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,33,59H,4-15,17,20,22-24,26,29-32,34-58H2,1-3H3/b19-16-,21-18-,28-25-,33-27-/t59-/m1/s1",TYXIHILEHYUILL,IFRPMBHZSA,N,"TG(22:2(13Z,16Z)/18:2(9Z,12Z)/o-18:0)",TYXIHILEHYUILL-IFRPMBHZSA-N
HMDB54501,988.845891316,C65H112O6,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,36,44,47,62H,4-15,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,36-27-,47-44-",HPZSZPXLMNYYBJ,HVWDYDHDSA,N,"TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))",HPZSZPXLMNYYBJ-HVWDYDHDSA-N
HMDB54502,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,34,36,39,42,44,47,62H,4-15,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-/t62-/m1/s1",HESOMBUCXWKEEE,GMSKRMHMSA,N,"TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",HESOMBUCXWKEEE-GMSKRMHMSA-N
HMDB54503,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,34,36,39,42,44,47-48,51,62H,4-15,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-/t62-/m1/s1",PNPGQRVKCVWBDF,LQNPEQDBSA,N,"TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PNPGQRVKCVWBDF-LQNPEQDBSA-N
HMDB54504,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,32-33,40,43,58H,4-7,9-10,12-15,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,43-40-/t58-/m1/s1",IOVMHDFGDDKWIN,WUQZMVFTSA,N,"TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",IOVMHDFGDDKWIN-WUQZMVFTSA-N
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HMDB54507,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34-35,37,42-43,45-46,60H,4-7,9-10,12-15,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1",ZOOGEVWOZRKOCC,UAMGTFMYSA,N,"TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",ZOOGEVWOZRKOCC-UAMGTFMYSA-N
HMDB54508,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32,34,36,39,42,44,47,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-/t62-/m1/s1",JTEKYXNUEGYKNR,VWFFUHOASA,N,"TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JTEKYXNUEGYKNR-VWFFUHOASA-N
HMDB54509,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32,34,36,39,42,44,47-48,51,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-/t62-/m1/s1",ZXNJPPFMHXBJOZ,UPVFHQHSSA,N,"TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZXNJPPFMHXBJOZ-UPVFHQHSSA-N
HMDB54510,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,33,40,43,59H,4-15,17,20,22-24,26,29-32,34-39,41-42,44-58H2,1-3H3/b19-16-,21-18-,28-25-,33-27-,43-40-/t59-/m1/s1",UXLLGPUSVDZPFX,YEWBFYEUSA,N,"TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/o-18:0)",UXLLGPUSVDZPFX-YEWBFYEUSA-N
HMDB54511,1018.89284152,C67H118O6,[H]C(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,64H,4-15,22-24,31-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-",DBBTYNZYHDMVRC,BBWANDEASA,N,"TG(22:2(13Z,16Z)/20:2n6/22:2(13Z,16Z))",DBBTYNZYHDMVRC-BBWANDEASA-N
HMDB54512,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,41,44,64H,4-15,22-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,44-41-/t64-/m1/s1",GOSGUYFJZKGTJL,BNVFPYFLSA,N,"TG(22:2(13Z,16Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))",GOSGUYFJZKGTJL-BNVFPYFLSA-N
HMDB54513,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,41,44,50,53,64H,4-15,22-24,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-/t64-/m1/s1",FICYMGNHFTUQNQ,QGPUBWJLSA,N,"TG(22:2(13Z,16Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))",FICYMGNHFTUQNQ-QGPUBWJLSA-N
HMDB54514,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,60H,4-8,10-11,13-15,22-24,30-33,35-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-/t60-/m1/s1",DXMAWSWMDCJKAP,BUISJFRYSA,N,"TG(22:2(13Z,16Z)/20:2n6/18:3(9Z,12Z,15Z))",DXMAWSWMDCJKAP-BUISJFRYSA-N
HMDB54515,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,40,43,60H,4-8,10-11,13-15,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1",ZLBFDCQURCAMRP,IKXOKERUSA,N,"TG(22:2(13Z,16Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))",ZLBFDCQURCAMRP-IKXOKERUSA-N
HMDB54516,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,36,39,62H,4-7,9-10,12-15,22-24,31-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1",XEQSAWHMCUWPCQ,QCHPLPLCSA,N,"TG(22:2(13Z,16Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))",XEQSAWHMCUWPCQ-QCHPLPLCSA-N
HMDB54517,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,36,39,45,48,62H,4-7,9-10,12-15,22-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t62-/m1/s1",GIFUXVRBKVDALU,FEYXSHHLSA,N,"TG(22:2(13Z,16Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",GIFUXVRBKVDALU-FEYXSHHLSA-N
HMDB54518,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,41,44,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,44-41-/t64-/m1/s1",PIHHVEICUYMGLN,VEBVGEOUSA,N,"TG(22:2(13Z,16Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",PIHHVEICUYMGLN-VEBVGEOUSA-N
HMDB54519,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,41,44,50,53,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-/t64-/m1/s1",JVHIBUIWDHOHGY,CUJRZNCDSA,N,"TG(22:2(13Z,16Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JVHIBUIWDHOHGY-CUJRZNCDSA-N
HMDB54520,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,61H,4-15,18,21-24,27,30-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-/t61-/m1/s1",OWSJQXBTEYLBML,XUAJFUSCSA,N,"TG(22:2(13Z,16Z)/20:2n6/o-18:0)",OWSJQXBTEYLBML-XUAJFUSCSA-N
HMDB54521,1016.877191444,C67H116O6,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,40,43,64H,4-15,22-24,31-39,41-42,44-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-",MJCQFIXWJZKLKI,YISKRABWSA,N,"TG(22:2(13Z,16Z)/20:3n6/22:2(13Z,16Z))",MJCQFIXWJZKLKI-YISKRABWSA-N
HMDB54522,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,40-41,43-44,64H,4-15,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-/t64-/m1/s1",PDKSKOBCBWGWKP,HOLOMXNHSA,N,"TG(22:2(13Z,16Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))",PDKSKOBCBWGWKP-HOLOMXNHSA-N
HMDB54523,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,40-41,43-44,50,53,64H,4-15,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-/t64-/m1/s1",PUHJQVONAIZQHS,ZLHFCZPWSA,N,"TG(22:2(13Z,16Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))",PUHJQVONAIZQHS-ZLHFCZPWSA-N
HMDB54524,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,36,39,60H,4-8,10-11,13-15,22-24,30-33,35,37-38,40-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-/t60-/m1/s1",GHVVXAAHMOLTMW,SKQDDZPPSA,N,"TG(22:2(13Z,16Z)/20:3n6/18:3(9Z,12Z,15Z))",GHVVXAAHMOLTMW-SKQDDZPPSA-N
HMDB54525,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,36,39-40,43,60H,4-8,10-11,13-15,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-/t60-/m1/s1",OEKRRUNWWAUSPT,IEYYAICSSA,N,"TG(22:2(13Z,16Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))",OEKRRUNWWAUSPT-IEYYAICSSA-N
HMDB54526,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,36,38-39,41,62H,4-7,9-10,12-15,22-24,31-35,37,40,42-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-/t62-/m1/s1",MUASJJWKEOYLCI,HWZIINIVSA,N,"TG(22:2(13Z,16Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))",MUASJJWKEOYLCI-HWZIINIVSA-N
HMDB54527,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,36,38-39,41,45,48,62H,4-7,9-10,12-15,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m1/s1",IPXDRURQEDQOSP,JHBIWHRTSA,N,"TG(22:2(13Z,16Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",IPXDRURQEDQOSP-JHBIWHRTSA-N
HMDB54528,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,40-41,43-44,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-/t64-/m1/s1",SIQAEUACTWCLKM,HOCYQBGESA,N,"TG(22:2(13Z,16Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",SIQAEUACTWCLKM-HOCYQBGESA-N
HMDB54529,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,40-41,43-44,50,53,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-/t64-/m1/s1",MCKOWXMDWHSWQM,ORUYMERSSA,N,"TG(22:2(13Z,16Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MCKOWXMDWHSWQM-ORUYMERSSA-N
HMDB54530,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,36,39,61H,4-15,18,21-24,27,30-35,37-38,40-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-/t61-/m1/s1",XPHRYTCVIDCWOL,WWLFGQKNSA,N,"TG(22:2(13Z,16Z)/20:3n6/o-18:0)",XPHRYTCVIDCWOL-WWLFGQKNSA-N
HMDB54531,1014.86154138,C67H114O6,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,40,43,49,52,64H,4-15,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-",AMYCFUXHZPFMET,LWNPKZEHSA,N,"TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",AMYCFUXHZPFMET-LWNPKZEHSA-N
HMDB54532,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,40-41,43-44,49,52,64H,4-15,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",HTKHEQGBOYWHNZ,UYLOSSSDSA,N,"TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",HTKHEQGBOYWHNZ-UYLOSSSDSA-N
HMDB54533,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-15,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",TXBIYXZJBXNDKU,FOYBXKPXSA,N,"TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",TXBIYXZJBXNDKU-FOYBXKPXSA-N
HMDB54534,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,36,39,45,48,60H,4-8,10-11,13-15,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1",VJKRHAUTZWFBOQ,PEPQZSJCSA,N,"TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",VJKRHAUTZWFBOQ-PEPQZSJCSA-N
HMDB54535,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,36,39-40,43,45,48,60H,4-8,10-11,13-15,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1",PHYGFPBNUHVOST,ONOONBEGSA,N,"TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",PHYGFPBNUHVOST-ONOONBEGSA-N
HMDB54536,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,36,38-39,41,47,50,62H,4-7,9-10,12-15,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1",OKJIVCBGCONWGK,WEJGUXITSA,N,"TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",OKJIVCBGCONWGK-WEJGUXITSA-N
HMDB54537,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-15,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1",HIASQOMGPHBNCJ,VWMICRKOSA,N,"TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",HIASQOMGPHBNCJ-VWMICRKOSA-N
HMDB54538,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-/t64-/m1/s1",WBAABHQDZYNRKA,SZQLSWGRSA,N,"TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WBAABHQDZYNRKA-SZQLSWGRSA-N
HMDB54539,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1",IYMADOUPSYAVTG,ITWWFWFCSA,N,"TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IYMADOUPSYAVTG-ITWWFWFCSA-N
HMDB54540,948.850976706,C63H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,36,39,45,48,61H,4-15,18,21-24,27,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-,48-45-/t61-/m1/s1",REAXNFSVDUNGRG,RWRZBTBCSA,N,"TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)",REAXNFSVDUNGRG-RWRZBTBCSA-N
HMDB54541,1046.924141636,C69H122O6,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,66H,4-15,22-24,31-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-",VIJYFVICCQSQHZ,BBWANDEASA,N,"TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:2(13Z,16Z))",VIJYFVICCQSQHZ-BBWANDEASA-N
HMDB54542,1042.89284152,C69H118O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37,43,46,66H,4-15,22-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-/t66-/m1/s1",APXMVRHOCXAJJJ,JWOGSGALSA,N,"TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",APXMVRHOCXAJJJ-JWOGSGALSA-N
HMDB54543,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37,43,46,52,55,66H,4-15,22-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t66-/m1/s1",ZQDSNKNOWBORTE,JWYZUWCUSA,N,"TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZQDSNKNOWBORTE-JWYZUWCUSA-N
HMDB54544,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,36,62H,4-8,10-11,13-15,22-24,30-35,37-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,36-27-/t62-/m1/s1",RFVWCBFZMXDCLO,FZFHUWQXSA,N,"TG(22:2(13Z,16Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",RFVWCBFZMXDCLO-FZFHUWQXSA-N
HMDB54545,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,36,42,45,62H,4-8,10-11,13-15,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1",DSNWFYWOQDRXDO,RFUCUODXSA,N,"TG(22:2(13Z,16Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",DSNWFYWOQDRXDO-RFUCUODXSA-N
HMDB54546,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,38,41,64H,4-8,10-11,13-15,22-24,31-37,39-40,42-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-/t64-/m1/s1",RYGHLDKTAAMQGW,BUWGQPLOSA,N,"TG(22:2(13Z,16Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",RYGHLDKTAAMQGW-BUWGQPLOSA-N
HMDB54547,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,38,41,47,50,64H,4-8,10-11,13-15,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-/t64-/m1/s1",XPEUDJFOFOWWDT,YHBDYGFBSA,N,"TG(22:2(13Z,16Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",XPEUDJFOFOWWDT-YHBDYGFBSA-N
HMDB54548,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,37,43,46,66H,4-6,8-9,11-15,22-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-/t66-/m1/s1",WXHXDCJBEXFKBN,FMSUKBFUSA,N,"TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WXHXDCJBEXFKBN-FMSUKBFUSA-N
HMDB54549,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,37,43,46,52,55,66H,4-6,8-9,11-15,22-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t66-/m1/s1",XDBHEVVICVLNRK,NWSPHSSZSA,N,"TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XDBHEVVICVLNRK-NWSPHSSZSA-N
HMDB54550,980.913576964,C65H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,63H,4-15,18,21-24,27,30-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-/t63-/m1/s1",GLWVXGKWHQWEAN,KOTJFLGKSA,N,"TG(22:2(13Z,16Z)/22:2(13Z,16Z)/o-18:0)",GLWVXGKWHQWEAN-KOTJFLGKSA-N
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HMDB54552,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,43,45-46,48,66H,4-15,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t66-/m1/s1",RPYLULHNGZCKOQ,AFBVTKKBSA,N,"TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",RPYLULHNGZCKOQ-AFBVTKKBSA-N
HMDB54553,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-15,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-/t66-/m1/s1",AXDLJLHQAHDQMM,YWVFEQHQSA,N,"TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AXDLJLHQAHDQMM-YWVFEQHQSA-N
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HMDB54556,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,37-38,41,43,46,64H,4-8,10-11,13-15,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-/t64-/m1/s1",IPXPLUXVVLBZJP,DBUZOVJMSA,N,"TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",IPXPLUXVVLBZJP-DBUZOVJMSA-N
HMDB54557,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,37-38,41,43,46-47,50,64H,4-8,10-11,13-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",MUSDQXWKEYMNKD,SUMJUOGESA,N,"TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MUSDQXWKEYMNKD-SUMJUOGESA-N
HMDB54558,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,43,45-46,48,66H,4-6,8-9,11-15,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t66-/m1/s1",URKWPQKYRUZJMS,ARAKOIEKSA,N,"TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",URKWPQKYRUZJMS-ARAKOIEKSA-N
HMDB54559,1034.830241262,C69H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-6,8-9,11-15,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-/t66-/m1/s1",NLZUTUPTJWIJSU,TZOVFOENSA,N,"TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NLZUTUPTJWIJSU-TZOVFOENSA-N
HMDB54560,976.882276835,C65H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,36,41,44,63H,4-15,18,21-24,27,30-33,35,37-40,42-43,45-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-34-,44-41-/t63-/m1/s1",NQSQWQBPQAMXGC,GUWDCSLPSA,N,"TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)",NQSQWQBPQAMXGC-GUWDCSLPSA-N
HMDB54561,1040.877191444,C69H116O6,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,36,39,45,48,54,57,66H,4-15,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-",CVTDWRIFXSGGCM,MOQGHBCYSA,N,"TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",CVTDWRIFXSGGCM-MOQGHBCYSA-N
HMDB54562,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-15,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-/t66-/m1/s1",OVHAKDQHQBONLT,KRMMTBBMSA,N,"TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",OVHAKDQHQBONLT-KRMMTBBMSA-N
HMDB54563,1034.830241262,C69H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-15,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1",MABORUDHBPPSJB,YDZXXTGBSA,N,"TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MABORUDHBPPSJB-YDZXXTGBSA-N
HMDB54564,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,33,35-36,41,44,50,53,62H,4-8,10-11,13-15,22-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m1/s1",CJOJLGLRQIJKRN,WRRMHYOWSA,N,"TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",CJOJLGLRQIJKRN-WRRMHYOWSA-N
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HMDB54566,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,37-38,41,43,46,52,55,64H,4-8,10-11,13-15,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-/t64-/m1/s1",NLNQMNWZFNLCNJ,BDGUCOESSA,N,"TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",NLNQMNWZFNLCNJ-BDGUCOESSA-N
HMDB54567,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-8,10-11,13-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",LTVYTQCUDXOYRQ,KITWHYTNSA,N,"TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LTVYTQCUDXOYRQ-KITWHYTNSA-N
HMDB54568,1034.830241262,C69H110O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8-9,11-15,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-/t66-/m1/s1",RJCDUCJCXFWSOK,AOBSXMGVSA,N,"TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RJCDUCJCXFWSOK-AOBSXMGVSA-N
HMDB54569,1032.814591198,C69H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8-9,11-15,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1",GDWFJXGLAMBSLL,ZRIOCRDBSA,N,"TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GDWFJXGLAMBSLL-ZRIOCRDBSA-N
HMDB54570,974.866626771,C65H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,36,41,44,50,53,63H,4-15,18,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-34-,44-41-,53-50-/t63-/m1/s1",UWGXWIVSTJPGSW,HUFWFPODSA,N,"TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)",UWGXWIVSTJPGSW-HUFWFPODSA-N
HMDB54571,988.845891316,C65H112O6,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,36,62H,4-8,10-11,13-15,22-24,30-35,37-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,36-27-",SGSANTPKCLKLEV,AWOXEDBQSA,N,"TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",SGSANTPKCLKLEV-AWOXEDBQSA-N
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HMDB54573,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,36,39,42,48,51,62H,4-8,10-11,13-15,22-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",OQWYCVLQNVGMHL,AWXLCJKSSA,N,"TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OQWYCVLQNVGMHL-AWXLCJKSSA-N
HMDB54574,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,32-33,58H,4-7,10,13-15,22-24,29-31,34-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-/t58-/m1/s1",RZYVIJMOXIGQRX,NDSHOZHBSA,N,"TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",RZYVIJMOXIGQRX-NDSHOZHBSA-N
HMDB54575,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,32-33,38,41,58H,4-7,10,13-15,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-/t58-/m1/s1",PKZQEFIYWJCNLG,GUZJAGLPSA,N,"TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",PKZQEFIYWJCNLG-GUZJAGLPSA-N
HMDB54576,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34-35,37,60H,4-7,10,13-15,22-24,30-33,36,38-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-/t60-/m1/s1",ZGVRHASAEPOUMI,MTRKIVENSA,N,"TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",ZGVRHASAEPOUMI-MTRKIVENSA-N
HMDB54577,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34-35,37,43,46,60H,4-7,10,13-15,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1",YTMLSQRVRJOZHY,LRXRLTCQSA,N,"TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YTMLSQRVRJOZHY-LRXRLTCQSA-N
HMDB54578,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32,34,36,39,42,62H,4-6,8,11,13-15,22-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-/t62-/m1/s1",ZFQSYDDHEFNHRJ,XZWOSFQSSA,N,"TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZFQSYDDHEFNHRJ-XZWOSFQSSA-N
HMDB54579,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32,34,36,39,42,48,51,62H,4-6,8,11,13-15,22-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-/t62-/m1/s1",IBRVYWQBLHWNLY,MKXNVOSWSA,N,"TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IBRVYWQBLHWNLY-MKXNVOSWSA-N
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HMDB54612,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,36-37,39,43,45-46,48,66H,4-8,10-11,13-15,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t66-/m1/s1",RJUZTPIFPPOVSK,ALNGARCASA,N,"TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",RJUZTPIFPPOVSK-ALNGARCASA-N
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HMDB54616,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,34,37-38,41,43,46,64H,4-7,10,13-15,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-/t64-/m1/s1",QUDGBSHCEVWSHR,HEJZJKPUSA,N,"TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",QUDGBSHCEVWSHR-HEJZJKPUSA-N
HMDB54617,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,34,37-38,41,43,46-47,50,64H,4-7,10,13-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-/t64-/m1/s1",VVVVMNSXJUEKRC,LJEDXQHJSA,N,"TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VVVVMNSXJUEKRC-LJEDXQHJSA-N
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HMDB54621,1038.86154138,C69H114O6,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,36,39,45,48,54,57,66H,4-8,10-11,13-15,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-",LNMJGJBNBZXDSZ,IEGRUTMVSA,N,"TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",LNMJGJBNBZXDSZ-IEGRUTMVSA-N
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HMDB54624,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,33,35-36,41,44,50,53,62H,4-7,10,13-15,22-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-/t62-/m1/s1",ICUVDUDMLHWGHD,WBSNOEKSSA,N,"TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",ICUVDUDMLHWGHD-WBSNOEKSSA-N
HMDB54625,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-7,10,13-15,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-/t62-/m1/s1",PWILPMVZTCKVTA,QNJSMHJESA,N,"TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",PWILPMVZTCKVTA-QNJSMHJESA-N
HMDB54626,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,34,37-38,41,43,46,52,55,64H,4-7,10,13-15,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-/t64-/m1/s1",LPCVCUREAXBLGA,DIYVOSSLSA,N,"TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",LPCVCUREAXBLGA-DIYVOSSLSA-N
HMDB54627,1004.783291069,C67H104O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,10,13-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-/t64-/m1/s1",LNAGBGJSALUSBQ,CLHNTQFGSA,N,"TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",LNAGBGJSALUSBQ-CLHNTQFGSA-N
HMDB54628,1032.814591198,C69H108O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8,11,13-15,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-/t66-/m1/s1",PTSXRITUEGABHO,LDYFQZFSSA,N,"TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PTSXRITUEGABHO-LDYFQZFSSA-N
HMDB54629,1030.798941133,C69H106O6,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8,11,13-15,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1",FDCMIMKAARHDPO,ZZMUJXRWSA,N,"TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FDCMIMKAARHDPO-ZZMUJXRWSA-N
HMDB54630,972.850976706,C65H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,34,36,41,44,50,53,63H,4-7,9-10,12-15,18,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-34-,44-41-,53-50-/t63-/m1/s1",DELLBLUNUXUXRY,PHBCQORJSA,N,"TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",DELLBLUNUXUXRY-PHBCQORJSA-N
HMDB54631,980.91357695,C65H120O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,63H,4-15,18,21-24,27,30-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-",XSBJKRSIXCVSJF,XEUHHCTMSA,N,"TG(22:2(13Z,16Z)/o-18:0/22:2(13Z,16Z))",XSBJKRSIXCVSJF-XEUHHCTMSA-N
HMDB54632,976.882276835,C65H116O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,40,43,63H,4-15,18,21-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,43-40-/t63-/m1/s1",YOLWNCGWNJLNSB,LLKKXRBASA,N,"TG(22:2(13Z,16Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))",YOLWNCGWNJLNSB-LLKKXRBASA-N
HMDB54633,974.866626771,C65H114O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,40,43,49,52,63H,4-15,18,21-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,43-40-,52-49-/t63-/m1/s1",NUWNWKLFNLIBGW,ICUKYNIZSA,N,"TG(22:2(13Z,16Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",NUWNWKLFNLIBGW-ICUKYNIZSA-N
HMDB54634,922.835326642,C61H110O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,33,59H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-/t59-/m1/s1",CKFPAWYIWLWION,AQWXWXAISA,N,"TG(22:2(13Z,16Z)/o-18:0/18:3(9Z,12Z,15Z))",CKFPAWYIWLWION-AQWXWXAISA-N
HMDB54635,920.819676578,C61H108O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,33,39,42,59H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-,42-39-/t59-/m1/s1",YSAXFRLCPFHFGF,DWZSBCFXSA,N,"TG(22:2(13Z,16Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",YSAXFRLCPFHFGF-DWZSBCFXSA-N
HMDB54636,948.850976706,C63H112O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,38,61H,4-7,9-10,12-15,18,21-24,27,30-34,36-37,39-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,38-35-/t61-/m1/s1",JWOUNOKQOBGPPN,ISQSGKIASA,N,"TG(22:2(13Z,16Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",JWOUNOKQOBGPPN-ISQSGKIASA-N
HMDB54637,946.835326642,C63H110O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,38,44,47,61H,4-7,9-10,12-15,18,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,38-35-,47-44-/t61-/m1/s1",UMBNRJOJRFFYGX,SKCMPAFVSA,N,"TG(22:2(13Z,16Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",UMBNRJOJRFFYGX-SKCMPAFVSA-N
HMDB54638,974.866626771,C65H114O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,35,40,43,63H,4-6,8-9,11-15,18,21-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,43-40-/t63-/m1/s1",BSTRFKICYJKVPU,NGBPCARISA,N,"TG(22:2(13Z,16Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",BSTRFKICYJKVPU-NGBPCARISA-N
HMDB54639,972.850976706,C65H112O5,[H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,35,40,43,49,52,63H,4-6,8-9,11-15,18,21-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,43-40-,52-49-/t63-/m1/s1",JUHPTPUCWILIHU,YEYQJDHVSA,N,"TG(22:2(13Z,16Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JUHPTPUCWILIHU-YEYQJDHVSA-N
HMDB54640,930.767640996,C61H102O6,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,58H,4-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-",MSBVKOGQFKQZGO,CBBQPGGWSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:0/22:4(7Z,10Z,13Z,16Z))",MSBVKOGQFKQZGO-CBBQPGGWSA-N
HMDB54641,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,44,47,58H,4-15,18,21-23,28-29,34-35,38,41-43,45-46,48-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-/t58-/m1/s1",TZFHAEVKUDZTRA,WOOVGWQQSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",TZFHAEVKUDZTRA-WOOVGWQQSA-N
HMDB54642,876.720690811,C57H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,36,54H,4-7,9-10,12-15,18,21-23,27,31-32,34-35,37-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m1/s1",KSUFZTZMKZANLW,NEWSELAWSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:0/18:3(9Z,12Z,15Z))",KSUFZTZMKZANLW-NEWSELAWSA-N
HMDB54643,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,35-37,54H,4-7,9-10,12-15,18,21-23,27,31-32,34,38-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-/t54-/m1/s1",CKXWNICKLLNLAV,RJDJSJHBSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:0/18:4(6Z,9Z,12Z,15Z))",CKXWNICKLLNLAV-RJDJSJHBSA-N
HMDB54644,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m1/s1",QISWQKLLTOHCLP,DWKRLVBNSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z))",QISWQKLLTOHCLP-DWKRLVBNSA-N
HMDB54645,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38-39,42,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m1/s1",IITVMCHTPSACLP,KGWNEQIQSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",IITVMCHTPSACLP-KGWNEQIQSA-N
HMDB54646,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m1/s1",BTQJQPGBNVAZBZ,ZNVHTABXSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",BTQJQPGBNVAZBZ-ZNVHTABXSA-N
HMDB54647,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,44,47,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-43,45-46,48-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-/t58-/m1/s1",ZONJGDNNWKBNLY,PGIFWKQXSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZONJGDNNWKBNLY-PGIFWKQXSA-N
HMDB54648,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-/t55-/m1/s1",BMHFNXTYTINNLE,KJBXMZTMSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:0/o-18:0)",BMHFNXTYTINNLE-KJBXMZTMSA-N
HMDB54649,944.78329106,C62H104O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,59H,4-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-",SOHNQWIGIUKMCZ,CEYSLSBFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:4(7Z,10Z,13Z,16Z))",SOHNQWIGIUKMCZ-CEYSLSBFSA-N
HMDB54650,942.767641004,C62H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,45,48,59H,4-15,18,21-24,29-30,35-36,39,42-44,46-47,49-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,48-45-/t59-/m1/s1",KXECMDBYIJGBOL,PNBIOSNZSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",KXECMDBYIJGBOL-PNBIOSNZSA-N
HMDB54651,890.736340876,C58H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,55H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-/t55-/m1/s1",UBJSQHJJZDYIDK,UWNDTAFXSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/15:0/18:3(9Z,12Z,15Z))",UBJSQHJJZDYIDK-UWNDTAFXSA-N
HMDB54652,888.720690811,C58H96O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,36-38,55H,4-7,9-10,12-15,18,21-24,28,32-33,35,39-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-/t55-/m1/s1",CYDUJWAOAUEWLE,WIZUOWQZSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/15:0/18:4(6Z,9Z,12Z,15Z))",CYDUJWAOAUEWLE-WIZUOWQZSA-N
HMDB54653,916.75199094,C60H100O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-/t57-/m1/s1",JJCZOCDOHJNOIU,ZGNHQBFFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/15:0/20:4(8Z,11Z,14Z,17Z))",JJCZOCDOHJNOIU-ZGNHQBFFSA-N
HMDB54654,914.736340876,C60H98O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39-40,43,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,41-42,44-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-/t57-/m1/s1",JKBSGAXRJPMWAE,QFSXGRFRSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",JKBSGAXRJPMWAE-QFSXGRFRSA-N
HMDB54655,942.767641004,C62H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-/t59-/m1/s1",KLWNNSMWLHKINZ,GKWLYJDYSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",KLWNNSMWLHKINZ-GKWLYJDYSA-N
HMDB54656,940.75199094,C62H100O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,45,48,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,48-45-/t59-/m1/s1",GLNLGGIFAOVMEW,YFQAGJOWSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GLNLGGIFAOVMEW-YFQAGJOWSA-N
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HMDB54659,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-41,46,49,60H,4-15,18,21-24,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-/t60-/m1/s1",AVHSMRVNDALZFQ,FRCVANJRSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",AVHSMRVNDALZFQ-FRCVANJRSA-N
HMDB54660,904.75199094,C59H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,37,56H,4-7,9-10,12-15,18,21-24,28,32-34,36,38-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-/t56-/m1/s1",KVBJLNRXRADIIA,ZWGHWCGRSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:0/18:3(9Z,12Z,15Z))",KVBJLNRXRADIIA-ZWGHWCGRSA-N
HMDB54661,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35-37,39,56H,4-7,9-10,12-15,18,21-24,28,32-34,38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-/t56-/m1/s1",BCRFPDIJSIJNKT,NOJAEYGCSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:0/18:4(6Z,9Z,12Z,15Z))",BCRFPDIJSIJNKT-NOJAEYGCSA-N
HMDB54662,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,39,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-/t58-/m1/s1",STJQVFVZRQQHMC,PCUSDVPBSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:0/20:4(8Z,11Z,14Z,17Z))",STJQVFVZRQQHMC-PCUSDVPBSA-N
HMDB54663,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,39,41,44,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m1/s1",LGRMHTTVLOOPHD,ZRZXWVDTSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",LGRMHTTVLOOPHD-ZRZXWVDTSA-N
HMDB54664,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-41,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,42-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-/t60-/m1/s1",BXTYKLWEJMYKID,OEHYGIDGSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",BXTYKLWEJMYKID-OEHYGIDGSA-N
HMDB54665,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-41,46,49,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-/t60-/m1/s1",CZCKEHKZTUAGLH,KRHHVRJRSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CZCKEHKZTUAGLH-KRHHVRJRSA-N
HMDB54666,896.819676578,C59H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,35,37,57H,4-15,17-18,20-24,26,28-29,32-34,36,38-56H2,1-3H3/b19-16-,27-25-,31-30-,37-35-/t57-/m1/s1",HUCURJZHOCJJCY,MYJYNAHJSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:0/o-18:0)",HUCURJZHOCJJCY-MYJYNAHJSA-N
HMDB54667,986.830241252,C65H110O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,39-40,42-43,62H,4-15,18,21-24,27,30-31,36-38,41,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-",GZEWTDGAOATNHE,GOSBYWIOSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:0/22:4(7Z,10Z,13Z,16Z))",GZEWTDGAOATNHE-GOSBYWIOSA-N
HMDB54668,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,39-40,42-43,48,51,62H,4-15,18,21-24,27,30-31,36-38,41,44-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-/t62-/m1/s1",QEPCICXGNHYUJG,ZBOVOLJUSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",QEPCICXGNHYUJG-ZBOVOLJUSA-N
HMDB54669,932.783291069,C61H104O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30-32,36,39,58H,4-7,9-10,12-15,18,21-24,27,29,33-35,37-38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-/t58-/m1/s1",ZOGXEVSSKQUNCV,LYSQEROUSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:0/18:3(9Z,12Z,15Z))",ZOGXEVSSKQUNCV-LYSQEROUSA-N
HMDB54670,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30-32,36,38-39,41,58H,4-7,9-10,12-15,18,21-24,27,29,33-35,37,40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-/t58-/m1/s1",ABHCDQDYNJOTOT,CTXCPYEYSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:0/18:4(6Z,9Z,12Z,15Z))",ABHCDQDYNJOTOT-CTXCPYEYSA-N
HMDB54671,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36,39-40,42-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-/t60-/m1/s1",JYHMTHDHJBNVQX,YKRKGPPRSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:0/20:4(8Z,11Z,14Z,17Z))",JYHMTHDHJBNVQX-YKRKGPPRSA-N
HMDB54672,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-/t60-/m1/s1",RVQQPBSTHIVINE,VYGGCHMVSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",RVQQPBSTHIVINE-VYGGCHMVSA-N
HMDB54673,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,39-40,42-43,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-38,41,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-/t62-/m1/s1",ALAXAZSCYFFWPP,SZKXFOPMSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",ALAXAZSCYFFWPP-SZKXFOPMSA-N
HMDB54674,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,39-40,42-43,48,51,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-/t62-/m1/s1",WRVQVJFSRMJNOJ,FYEPIDQZSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WRVQVJFSRMJNOJ-FYEPIDQZSA-N
HMDB54675,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,36,39,59H,4-15,17-18,20-24,26-27,29-30,33-35,37-38,40-58H2,1-3H3/b19-16-,28-25-,32-31-,39-36-/t59-/m1/s1",DUQASBXYPRNVES,BSBVFOQZSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:0/o-18:0)",DUQASBXYPRNVES-BSBVFOQZSA-N
HMDB54676,1014.86154138,C67H114O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,64H,4-15,18,21-24,27,30-32,35,38-40,43,46-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-",SIMDIXBVBYTEOQ,HNPUCTCQSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:0/22:4(7Z,10Z,13Z,16Z))",SIMDIXBVBYTEOQ-HNPUCTCQSA-N
HMDB54677,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50,53,64H,4-15,18,21-24,27,30-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-/t64-/m1/s1",SKBRCJYMWJTYDB,SBFSRBSXSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",SKBRCJYMWJTYDB-SBFSRBSXSA-N
HMDB54678,960.814591198,C63H108O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,41,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-/t60-/m1/s1",FSROEJIFZIKXLL,XZRQTGGXSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:0/18:3(9Z,12Z,15Z))",FSROEJIFZIKXLL-XZRQTGGXSA-N
HMDB54679,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,40-41,43,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39,42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-/t60-/m1/s1",CVLWWEVOWKHNNO,IRSOETISSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:0/18:4(6Z,9Z,12Z,15Z))",CVLWWEVOWKHNNO-IRSOETISSA-N
HMDB54680,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-/t62-/m1/s1",UYKRCRHFGMFIMM,OYCUFQRCSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:0/20:4(8Z,11Z,14Z,17Z))",UYKRCRHFGMFIMM-OYCUFQRCSA-N
HMDB54681,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-/t62-/m1/s1",XQYKCVDNXVUSMH,GCPKQOAMSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",XQYKCVDNXVUSMH-GCPKQOAMSA-N
HMDB54682,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-40,43,46-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-/t64-/m1/s1",LAFDKDALRUUNOG,NQIHRAAZSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",LAFDKDALRUUNOG-NQIHRAAZSA-N
HMDB54683,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50,53,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-/t64-/m1/s1",DASVRHZYNZNKKM,LQXNGRLASA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DASVRHZYNZNKKM-LQXNGRLASA-N
HMDB54684,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,38,41,61H,4-15,17-18,20-24,26-27,29-31,33,35-37,39-40,42-60H2,1-3H3/b19-16-,28-25-,34-32-,41-38-/t61-/m1/s1",KDPNULICSKUKOB,BYWAHYPJSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:0/o-18:0)",KDPNULICSKUKOB-BYWAHYPJSA-N
HMDB54685,1042.892841508,C69H118O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,66H,4-15,18,21-24,27,30-33,36,39-42,45,48-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-",MVOCAVFZTMTULM,KMTUTSBPSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:4(7Z,10Z,13Z,16Z))",MVOCAVFZTMTULM-KMTUTSBPSA-N
HMDB54686,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52,55,66H,4-15,18,21-24,27,30-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-/t66-/m1/s1",FATJICBTOKBHFT,VMQVTLGASA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",FATJICBTOKBHFT-VMQVTLGASA-N
HMDB54687,988.845891326,C65H112O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,40,43,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-/t62-/m1/s1",OUQRHNAJPXEKBM,QOPOEIPLSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:0/18:3(9Z,12Z,15Z))",OUQRHNAJPXEKBM-QOPOEIPLSA-N
HMDB54688,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,40,42-43,45,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-/t62-/m1/s1",GSJUBTLLJFZCQW,MWFUQBRPSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:0/18:4(6Z,9Z,12Z,15Z))",GSJUBTLLJFZCQW-MWFUQBRPSA-N
HMDB54689,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-/t64-/m1/s1",AMNWGTANIZZVIO,JBPWVSAASA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:0/20:4(8Z,11Z,14Z,17Z))",AMNWGTANIZZVIO-JBPWVSAASA-N
HMDB54690,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m1/s1",UMDPVQOCKXLZPH,NOBGTZTNSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",UMDPVQOCKXLZPH-NOBGTZTNSA-N
HMDB54691,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,66H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,45,48-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-/t66-/m1/s1",KOJKZTSCMYTVIC,XPGJJUTJSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",KOJKZTSCMYTVIC-XPGJJUTJSA-N
HMDB54692,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52,55,66H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-/t66-/m1/s1",IHLBSSNLYGTGPH,IPTUDICVSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IHLBSSNLYGTGPH-IPTUDICVSA-N
HMDB54693,980.913576964,C65H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,40,43,63H,4-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,28-25-,35-33-,43-40-/t63-/m1/s1",AULLYYCCYKUVJL,RVLYETLBSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:0/o-18:0)",AULLYYCCYKUVJL-RVLYETLBSA-N
HMDB54694,1070.924141636,C71H122O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,68H,4-16,19,22-25,28,31-35,38,41-44,47,50-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-",QAFUGZGJJURVFJ,CDTRBPBMSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:0/22:4(7Z,10Z,13Z,16Z))",QAFUGZGJJURVFJ-CDTRBPBMSA-N
HMDB54695,1068.908491584,C71H120O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54,57,68H,4-16,19,22-25,28,31-35,38,41-44,47,50-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-/t68-/m1/s1",XINFSNPOHPPRKI,TXWKOMFKSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",XINFSNPOHPPRKI-TXWKOMFKSA-N
HMDB54696,1016.877191455,C67H116O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,42,45,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-/t64-/m1/s1",DHEJHTKFNOOUNE,WNBFYLJESA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:0/18:3(9Z,12Z,15Z))",DHEJHTKFNOOUNE-WNBFYLJESA-N
HMDB54697,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,42,44-45,47,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-/t64-/m1/s1",WXDRQBYTAYCFRE,FGFDXMKKSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:0/18:4(6Z,9Z,12Z,15Z))",WXDRQBYTAYCFRE-FGFDXMKKSA-N
HMDB54698,1042.89284152,C69H118O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-/t66-/m1/s1",FEKONLOZIHJDEC,NNKMLQHGSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:0/20:4(8Z,11Z,14Z,17Z))",FEKONLOZIHJDEC-NNKMLQHGSA-N
HMDB54699,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-/t66-/m1/s1",SLIMOGCQIZWVOQ,ZNWJGGSMSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",SLIMOGCQIZWVOQ-ZNWJGGSMSA-N
HMDB54700,1068.908491584,C71H120O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,47,50-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-/t68-/m1/s1",AQUXNSIEITVHPJ,AASSVFPOSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",AQUXNSIEITVHPJ-AASSVFPOSA-N
HMDB54701,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54,57,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,47,50-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-/t68-/m1/s1",UHEUUCYNRYACHE,XLTVPKRASA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UHEUUCYNRYACHE-XLTVPKRASA-N
HMDB54702,1008.944877093,C67H124O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,42,45,65H,4-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-64H2,1-3H3/b20-17-,29-26-,37-35-,45-42-/t65-/m1/s1",UMTNOWMSZUBXEL,XOPLWFJWSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:0/o-18:0)",UMTNOWMSZUBXEL-XOPLWFJWSA-N
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HMDB54704,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,44,47,58H,4-14,21-23,28-29,34-35,38,41-43,45-46,48-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-/t58-/m1/s1",OOHYTUZVGHMADG,GBPYQFROSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OOHYTUZVGHMADG-GBPYQFROSA-N
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HMDB54707,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m1/s1",LWKWJKUKDKCQJT,ULJAMMSGSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",LWKWJKUKDKCQJT-ULJAMMSGSA-N
HMDB54708,898.705040747,C59H94O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38-39,42,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m1/s1",MMTYWYYABNOYNF,PMSQFPQNSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MMTYWYYABNOYNF-PMSQFPQNSA-N
HMDB54709,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m1/s1",YOMNGTZWXNDGRQ,STZFUCKASA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YOMNGTZWXNDGRQ-STZFUCKASA-N
HMDB54710,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,44,47,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-43,45-46,48-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-/t58-/m1/s1",WHJRBJJZLJBRBL,DZOYTJGJSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WHJRBJJZLJBRBL-DZOYTJGJSA-N
HMDB54711,866.772726384,C57H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,33,36,55H,4-14,17,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,36-33-/t55-/m1/s1",NKGXOVYKIFCXET,NIQJBCCESA,N,"TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/o-18:0)",NKGXOVYKIFCXET-NIQJBCCESA-N
HMDB54712,956.78329106,C63H104O6,CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-41,60H,4-15,18,22-23,29-30,35-37,42-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-",QSAZQWUZAGCDBS,FFGARABISA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",QSAZQWUZAGCDBS-FFGARABISA-N
HMDB54713,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-41,46,49,60H,4-15,18,22-23,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-/t60-/m1/s1",ZVWNKBXKHWXDGQ,IOWXWIDWSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZVWNKBXKHWXDGQ-IOWXWIDWSA-N
HMDB54714,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,37,56H,4-7,9-10,12-15,18,22-23,28,32-34,36,38-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-/t56-/m1/s1",MWGFECCUJAXIFJ,MCMMEKJXSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",MWGFECCUJAXIFJ-MCMMEKJXSA-N
HMDB54715,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35-37,39,56H,4-7,9-10,12-15,18,22-23,28,32-34,38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-/t56-/m1/s1",XIIXNUYLGYUCGJ,CZVXUBMSSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",XIIXNUYLGYUCGJ-CZVXUBMSSA-N
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HMDB54717,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,39,41,44,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m1/s1",PXHGNWURYDAXJG,IITBDVRDSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",PXHGNWURYDAXJG-IITBDVRDSA-N
HMDB54718,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-41,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,42-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-/t60-/m1/s1",CPNXDPAVMXQTCA,KFKHDMLQSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CPNXDPAVMXQTCA-KFKHDMLQSA-N
HMDB54719,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-41,46,49,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-/t60-/m1/s1",QXKHDQVSKQMTPY,UNLSHJIFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QXKHDQVSKQMTPY-UNLSHJIFSA-N
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HMDB54722,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,39-40,42-43,48,51,62H,4-15,18,22-23,27,30-31,36-38,41,44-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-/t62-/m1/s1",QXSXMDIQQMEYQZ,CNQHEJIKSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QXSXMDIQQMEYQZ-CNQHEJIKSA-N
HMDB54723,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30-32,36,39,58H,4-7,9-10,12-15,18,22-23,27,29,33-35,37-38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-/t58-/m1/s1",SDVIFWREUJJFLS,DSXOIGTFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/18:3(9Z,12Z,15Z))",SDVIFWREUJJFLS-DSXOIGTFSA-N
HMDB54724,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30-32,36,38-39,41,58H,4-7,9-10,12-15,18,22-23,27,29,33-35,37,40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,41-38-/t58-/m1/s1",FQZLDVXDUMGYJY,MSFDEAOWSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",FQZLDVXDUMGYJY-MSFDEAOWSA-N
HMDB54725,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36,39-40,42-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-/t60-/m1/s1",LNYTYUIVGJVPBU,OPYKOOJHSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",LNYTYUIVGJVPBU-OPYKOOJHSA-N
HMDB54726,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-/t60-/m1/s1",CDFXVMNUBYTXIY,URVMIOKMSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CDFXVMNUBYTXIY-URVMIOKMSA-N
HMDB54727,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,39-40,42-43,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-38,41,44-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-/t62-/m1/s1",XCOIQSNNPDIFLF,QQPZGVSLSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XCOIQSNNPDIFLF-QQPZGVSLSA-N
HMDB54728,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,39-40,42-43,48,51,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-/t62-/m1/s1",PICREIZFJYZKAV,ULGWIJQYSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PICREIZFJYZKAV-ULGWIJQYSA-N
HMDB54729,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,36,39,59H,4-15,17-18,20,22-23,26-27,29-30,33-35,37-38,40-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,39-36-/t59-/m1/s1",ORZWJRTXSSABOL,MZAOEXRPSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/o-18:0)",ORZWJRTXSSABOL-MZAOEXRPSA-N
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HMDB54731,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,39-40,42-43,48,51,62H,4-15,18,21-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-/t62-/m1/s1",QSSGEMGUEUEUTQ,QTPLHMHVSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QSSGEMGUEUEUTQ-QTPLHMHVSA-N
HMDB54732,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-33,36,39,58H,4-7,9-10,12-15,18,21-24,29,34-35,37-38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1",MBUHKJFIIWOUFF,SQBRBFQGSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/18:3(9Z,12Z,15Z))",MBUHKJFIIWOUFF-SQBRBFQGSA-N
HMDB54733,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-33,36,38-39,41,58H,4-7,9-10,12-15,18,21-24,29,34-35,37,40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-/t58-/m1/s1",JEVKLZJQFOOBHX,BEGPLOKKSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",JEVKLZJQFOOBHX-BEGPLOKKSA-N
HMDB54734,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,37-38,41,60H,4-7,9-10,12-15,18,21-24,30,32,36,39-40,42-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-/t60-/m1/s1",LVEHFFLNEWVVQL,OBYXEVQWSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",LVEHFFLNEWVVQL-OBYXEVQWSA-N
HMDB54735,954.767641004,C63H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,37-38,41,43,46,60H,4-7,9-10,12-15,18,21-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m1/s1",MBBWQOJXLONXQW,DWLVQCFGSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MBBWQOJXLONXQW-DWLVQCFGSA-N
HMDB54736,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,39-40,42-43,62H,4-6,8-9,11-15,18,21-24,30-31,37-38,41,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-/t62-/m1/s1",MESQFKNPUYLLNZ,DQSVKDLWSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MESQFKNPUYLLNZ-DQSVKDLWSA-N
HMDB54737,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,39-40,42-43,48,51,62H,4-6,8-9,11-15,18,21-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-/t62-/m1/s1",HIMIHFHVOVPOHU,ODNIJYQLSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HIMIHFHVOVPOHU-ODNIJYQLSA-N
HMDB54738,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-33,36,39,59H,4-15,17-18,20-24,26,29-30,34-35,37-38,40-58H2,1-3H3/b19-16-,28-25-,32-31-,33-27-,39-36-/t59-/m1/s1",GOHYHAJWRRVJRD,AAHSLXSDSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/o-18:0)",GOHYHAJWRRVJRD-AAHSLXSDSA-N
HMDB54739,1012.845891316,C67H112O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,41-42,44-45,64H,4-15,18,21-24,31-32,35,38-40,43,46-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-",WQKZLNGCEMAAAD,AHRFUAFFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))",WQKZLNGCEMAAAD-AHRFUAFFSA-N
HMDB54740,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,41-42,44-45,50,53,64H,4-15,18,21-24,31-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,53-50-/t64-/m1/s1",SCNIMEPXZOYRAU,AUDQEVHNSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",SCNIMEPXZOYRAU-AUDQEVHNSA-N
HMDB54741,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,41,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m1/s1",AMPLXUVROQRPNY,GHQDBDLRSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",AMPLXUVROQRPNY-GHQDBDLRSA-N
HMDB54742,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,40-41,43,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39,42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,43-40-/t60-/m1/s1",PQMAOFUFIMHGKV,XTPNALHDSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",PQMAOFUFIMHGKV-XTPNALHDSA-N
HMDB54743,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,39-40,43,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,41-42,44-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-/t62-/m1/s1",MCEWLTRLIXBUMH,MKTNFOCISA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",MCEWLTRLIXBUMH-MKTNFOCISA-N
HMDB54744,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,39-40,43,45,48,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-/t62-/m1/s1",NXELWDHANAXRQK,OTTCXBAFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NXELWDHANAXRQK-OTTCXBAFSA-N
HMDB54745,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,41-42,44-45,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-40,43,46-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-/t64-/m1/s1",OPZIDRLPOHHFAQ,KNWXYFGESA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",OPZIDRLPOHHFAQ-KNWXYFGESA-N
HMDB54746,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,41-42,44-45,50,53,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,53-50-/t64-/m1/s1",JHWCBGIOJXPVKS,BCLYUCPFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JHWCBGIOJXPVKS-BCLYUCPFSA-N
HMDB54747,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,38,41,61H,4-15,17-18,20-24,27,30-31,33,35-37,39-40,42-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,41-38-/t61-/m1/s1",LQIVLMSRFUNROM,QLDGFVFGSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/o-18:0)",LQIVLMSRFUNROM-QLDGFVFGSA-N
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HMDB54757,1040.877191444,C69H116O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,43-44,46-47,66H,4-15,18,21-24,31-33,36,39-42,45,48-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-",WNFAKJNIQRZIDE,SHOSPWABSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))",WNFAKJNIQRZIDE-SHOSPWABSA-N
HMDB54758,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-15,18,21-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-/t66-/m1/s1",YTZSWVGTRPRGHL,PPIGWONFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YTZSWVGTRPRGHL-PPIGWONFSA-N
HMDB54759,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,40,43,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-/t62-/m1/s1",JXDFDMGLGYJAQK,HXASCLHRSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",JXDFDMGLGYJAQK-HXASCLHRSA-N
HMDB54760,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,40,42-43,45,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-39,41,44,46-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-/t62-/m1/s1",ITXHAZRCCMGPPU,GSCRMKMYSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",ITXHAZRCCMGPPU-GSCRMKMYSA-N
HMDB54761,1012.845891326,C67H112O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,38,41-42,45,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-/t64-/m1/s1",ZFZWTAUBDGHZHB,JMEDUIJCSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))",ZFZWTAUBDGHZHB-JMEDUIJCSA-N
HMDB54762,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,38,41-42,45,47,50,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m1/s1",KAVWGLOKNUCFBQ,YBTVTNDYSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",KAVWGLOKNUCFBQ-YBTVTNDYSA-N
HMDB54763,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43-44,46-47,66H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,45,48-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-/t66-/m1/s1",BHMPNUJRSVFMSL,CPIWYWIJSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BHMPNUJRSVFMSL-CPIWYWIJSA-N
HMDB54764,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-/t66-/m1/s1",HMPQFUKBSQTREI,UFFSEEJFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HMPQFUKBSQTREI-UFFSEEJFSA-N
HMDB54765,978.8979269,C65H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,40,43,63H,4-15,17-18,20-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,43-40-/t63-/m1/s1",RMDYYDBUJFPOQP,XYNGZHCFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/o-18:0)",RMDYYDBUJFPOQP-XYNGZHCFSA-N
HMDB54766,1068.908491572,C71H120O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36-37,39-40,45-46,48-49,68H,4-16,19,22-24,31-35,38,41-44,47,50-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-",CVOFZYYWDQRKFX,NGJDNECLSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))",CVOFZYYWDQRKFX-NGJDNECLSA-N
HMDB54767,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36-37,39-40,45-46,48-49,54,57,68H,4-16,19,22-24,31-35,38,41-44,47,50-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-/t68-/m1/s1",TXNKRVQFQWQIGB,PAPBQCEKSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",TXNKRVQFQWQIGB-PAPBQCEKSA-N
HMDB54768,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,42,45,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-/t64-/m1/s1",QRGDAMJRNZNLTJ,QVFZKACMSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",QRGDAMJRNZNLTJ-QVFZKACMSA-N
HMDB54769,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,42,44-45,47,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-/t64-/m1/s1",SXNHEZCEOHVTGB,QDUTVXTNSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",SXNHEZCEOHVTGB-QDUTVXTNSA-N
HMDB54770,1040.877191455,C69H116O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,40,43-44,47,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-/t66-/m1/s1",DWTFLBLPFXSCJW,NUVDUKEMSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",DWTFLBLPFXSCJW-NUVDUKEMSA-N
HMDB54771,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,40,43-44,47,49,52,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-/t66-/m1/s1",VCHJYSIIIKZHGE,OFEHPUNISA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",VCHJYSIIIKZHGE-OFEHPUNISA-N
HMDB54772,1066.89284152,C71H118O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,68H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-/t68-/m1/s1",SSTSAXBCJHDVEK,TZTRUSAYSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SSTSAXBCJHDVEK-TZTRUSAYSA-N
HMDB54773,1064.877191455,C71H116O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,54,57,68H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-/t68-/m1/s1",HRHKPZLGGSNJQI,LHHIOISSSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HRHKPZLGGSNJQI-LHHIOISSSA-N
HMDB54774,1006.929227028,C67H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,42,45,65H,4-16,18-19,21-24,27,30-34,36,38-41,43-44,46-64H2,1-3H3/b20-17-,28-25-,29-26-,37-35-,45-42-/t65-/m1/s1",DRMFCLBLGINLCA,SLQKMFMCSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/o-18:0)",DRMFCLBLGINLCA-SLQKMFMCSA-N
HMDB54775,982.798941133,C65H106O6,[H]C(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,39-40,42-43,62H,4-15,22-24,30-31,37-38,41,44-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-",ICVLPSSLDLXUOO,GVPGIJCCSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",ICVLPSSLDLXUOO-GVPGIJCCSA-N
HMDB54776,980.783291069,C65H104O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,39-40,42-43,48,51,62H,4-15,22-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-/t62-/m1/s1",GASSAAYRXQQJLB,GPXCYKGQSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GASSAAYRXQQJLB-GPXCYKGQSA-N
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HMDB54806,980.783291069,C65H104O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-/t62-/m1/s1",UNPSHEGDLDGHSI,NSHSJXPISA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))",UNPSHEGDLDGHSI-NSHSJXPISA-N
HMDB54807,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,45,48,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-/t62-/m1/s1",OHRISHQDSVLHIL,KRMLFOIYSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))",OHRISHQDSVLHIL-KRMLFOIYSA-N
HMDB54808,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-/t64-/m1/s1",GCNHVLZFLGZMFK,KCPYAXBMSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",GCNHVLZFLGZMFK-KCPYAXBMSA-N
HMDB54809,1004.783291069,C67H104O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,50,53,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-/t64-/m1/s1",CFTRKIJKGANWEN,QTKYENFTSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CFTRKIJKGANWEN-QTKYENFTSA-N
HMDB54810,946.835326642,C63H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,36,38-39,41,61H,4-15,18,21-24,27,30-31,33,35,37,40,42-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-/t61-/m1/s1",HJEGHQWBCYIGHT,XWEBMXQASA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/o-18:0)",HJEGHQWBCYIGHT-XWEBMXQASA-N
HMDB54811,1006.798941124,C67H106O6,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-37,40-45,49,52,64H,4-15,22-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-",JFKYKYMRNWAQAG,DTYIVGPJSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",JFKYKYMRNWAQAG-DTYIVGPJSA-N
HMDB54812,1004.783291069,C67H104O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-15,22-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-/t64-/m1/s1",TWZVCNDLJVJIKB,YHCIVRBNSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",TWZVCNDLJVJIKB-YHCIVRBNSA-N
HMDB54813,952.75199094,C63H100O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-34,36,38-39,41,45,48,60H,4-8,10-11,13-15,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-/t60-/m1/s1",PTCGGJDDKNMITC,FAWPTWECSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",PTCGGJDDKNMITC-FAWPTWECSA-N
HMDB54814,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-34,36,38-41,43,45,48,60H,4-8,10-11,13-15,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-/t60-/m1/s1",XWJAZPNMVPDCDP,LWSDDUDFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",XWJAZPNMVPDCDP-LWSDDUDFSA-N
HMDB54815,978.767641004,C65H102O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,47,50,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-/t62-/m1/s1",ZAXBGJFTPBBLPV,MCEHBTKTSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",ZAXBGJFTPBBLPV-MCEHBTKTSA-N
HMDB54816,976.75199094,C65H100O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-/t62-/m1/s1",FSGXRGDLAOPONC,MSDNTJRMSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FSGXRGDLAOPONC-MSDNTJRMSA-N
HMDB54817,1004.783291069,C67H104O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,49,52,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-/t64-/m1/s1",ZDOFYZDQWZQJEE,CODNCQKOSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZDOFYZDQWZQJEE-CODNCQKOSA-N
HMDB54818,1002.767641004,C67H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-/t64-/m1/s1",QJVLOBJQGAFZHI,CVSWXUELSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QJVLOBJQGAFZHI-CVSWXUELSA-N
HMDB54819,944.819676578,C63H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,36,38-39,41,45,48,61H,4-15,18,21-24,27,30-31,33,35,37,40,42-44,46-47,49-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-/t61-/m1/s1",XSUFNQFSNOZPJJ,YHRACOEDSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)",XSUFNQFSNOZPJJ-YHRACOEDSA-N
HMDB54820,1038.86154138,C69H114O6,CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-35,37-38,43-44,46-47,66H,4-15,22-24,31-33,36,39-42,45,48-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-",KHPOQGZUZCXVIB,UEDOWZHKSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",KHPOQGZUZCXVIB-UEDOWZHKSA-N
HMDB54821,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-15,22-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-/t66-/m1/s1",JHACBKMAKSTFNC,JRIUPMHOSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JHACBKMAKSTFNC-JRIUPMHOSA-N
HMDB54822,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,36,40,43,62H,4-8,10-11,13-15,22-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-/t62-/m1/s1",ZHQZIDLWIXAVHC,OHQYRRMJSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",ZHQZIDLWIXAVHC-OHQYRRMJSA-N
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HMDB54825,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33,36,38,41-42,45,47,50,64H,4-8,10-11,13-15,22-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m1/s1",JZSJXLXDHDPLCL,VYRGLAHESA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JZSJXLXDHDPLCL-VYRGLAHESA-N
HMDB54826,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-35,37-38,43-44,46-47,66H,4-6,8-9,11-15,22-24,31-33,36,39-42,45,48-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-/t66-/m1/s1",YMYWTEKSWLGOFK,CXVLDDATSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YMYWTEKSWLGOFK-CXVLDDATSA-N
HMDB54827,1034.830241262,C69H110O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-6,8-9,11-15,22-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-/t66-/m1/s1",QGCOQNKMBPXNBS,KADZQDFVSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QGCOQNKMBPXNBS-KADZQDFVSA-N
HMDB54828,976.882276835,C65H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,40,43,63H,4-15,18,21-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,43-40-/t63-/m1/s1",ZVFKBFXDRIPXEI,LLKKXRBASA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/o-18:0)",ZVFKBFXDRIPXEI-LLKKXRBASA-N
HMDB54829,1034.830241252,C69H110O6,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,66H,4-15,22-24,31-33,40-42,49-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-",PQXBQQQOOSVJSE,QSEXIABDSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",PQXBQQQOOSVJSE-QSEXIABDSA-N
HMDB54830,1032.814591198,C69H108O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,52,55,66H,4-15,22-24,31-33,40-42,49-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-/t66-/m1/s1",RPQNDJPJVNCSQW,QCNRHJBPSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RPQNDJPJVNCSQW-QCNRHJBPSA-N
HMDB54831,980.783291069,C65H104O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-41,43-44,62H,4-8,10-11,13-15,22-24,30-31,37-39,42,45-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-/t62-/m1/s1",PRNTVSSKPYNQFB,XCZNIMLYSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",PRNTVSSKPYNQFB-XCZNIMLYSA-N
HMDB54832,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-45,62H,4-8,10-11,13-15,22-24,30-31,37-39,46-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-/t62-/m1/s1",MGQQPWQKHKOPLE,RYVHMWHKSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",MGQQPWQKHKOPLE-RYVHMWHKSA-N
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HMDB54902,970.835326642,C65H110O5,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,49,52,63H,4-15,18,21-24,27,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-/t63-/m1/s1",RVJVLNIFTINSFD,JXQPUFJHSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))",RVJVLNIFTINSFD-JXQPUFJHSA-N
HMDB54903,918.804026513,C61H106O5,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,37,40,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-/t59-/m1/s1",QHQKDYSVPFRFET,AIFRECIISA,N,"TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/18:3(9Z,12Z,15Z))",QHQKDYSVPFRFET-AIFRECIISA-N
HMDB54904,916.788376449,C61H104O5,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,37,39-40,42,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-36,38,41,43-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-/t59-/m1/s1",GJESLVBYYQJXTF,CUOAQBKLSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))",GJESLVBYYQJXTF-CUOAQBKLSA-N
HMDB54905,944.819676578,C63H108O5,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-/t61-/m1/s1",XJRZLDVBOKCGHX,JZSYIUNFSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))",XJRZLDVBOKCGHX-JZSYIUNFSA-N
HMDB54906,942.804026513,C63H106O5,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-/t61-/m1/s1",MKKNEWLMPQPSGJ,WURQHJIKSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",MKKNEWLMPQPSGJ-WURQHJIKSA-N
HMDB54907,970.835326642,C65H110O5,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,40-41,43-44,63H,4-6,8-9,11-15,18,21-24,27,30-32,37-39,42,45-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-/t63-/m1/s1",WUSFKQHMWFPXFO,NACRLNQMSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",WUSFKQHMWFPXFO-NACRLNQMSA-N
HMDB54908,968.819676578,C65H108O5,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49,52,63H,4-6,8-9,11-15,18,21-24,27,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-/t63-/m1/s1",JHMIADHFHHJTND,MUABSENDSA,N,"TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JHMIADHFHHJTND-MUABSENDSA-N
HMDB54909,926.736340868,C61H98O6,CCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,44-45,47-48,58H,4-15,18,21-23,28-29,34-35,38,41-43,46,49-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-,48-45-",XHNWNYNFWSZTSZ,ALMKWXGHSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))",XHNWNYNFWSZTSZ-ALMKWXGHSA-N
HMDB54910,874.705040747,C57H94O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,36,41,44,54H,4-7,9-10,12-15,18,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m1/s1",MWCXJYILVWHSLY,PFGFCWQLSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/18:3(9Z,12Z,15Z))",MWCXJYILVWHSLY-PFGFCWQLSA-N
HMDB54911,872.689390682,C57H92O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,35-37,41,44,54H,4-7,9-10,12-15,18,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-/t54-/m1/s1",VPZIGOLTAZUBLW,RXKOHSHZSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/18:4(6Z,9Z,12Z,15Z))",VPZIGOLTAZUBLW-RXKOHSHZSA-N
HMDB54912,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,43,46,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-/t56-/m1/s1",UQOIPWJWGPNKBQ,NEMHYTIDSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z))",UQOIPWJWGPNKBQ-NEMHYTIDSA-N
HMDB54913,898.705040747,C59H94O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-/t56-/m1/s1",RWGFLVDLTPFJEB,ULZMMYTCSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))",RWGFLVDLTPFJEB-ULZMMYTCSA-N
HMDB54914,926.736340876,C61H98O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-/t58-/m1/s1",AROIDGXBTLJPHI,YIVGCJTKSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))",AROIDGXBTLJPHI-YIVGCJTKSA-N
HMDB54915,924.720690811,C61H96O6,[H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,44-45,47-48,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-43,46,49-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-,48-45-/t58-/m1/s1",VKCIZSSGVHDMAT,FZGREEQCSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VKCIZSSGVHDMAT-FZGREEQCSA-N
HMDB54916,866.772726384,C57H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,41,44,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-40,42-43,45-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-,44-41-/t55-/m1/s1",OPUGTLQTYUOVLC,JMCGQZKRSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/o-18:0)",OPUGTLQTYUOVLC-JMCGQZKRSA-N
HMDB54917,940.751990932,C62H100O6,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,45-46,48-49,59H,4-15,18,21-24,29-30,35-36,39,42-44,47,50-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,48-45-,49-46-",NRAFLJWJXZBHJS,SVESDOKXSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))",NRAFLJWJXZBHJS-SVESDOKXSA-N
HMDB54918,888.720690811,C58H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,42,45,55H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,45-42-/t55-/m1/s1",GVZPMAKRCVJEHH,VOPHZCSRSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/18:3(9Z,12Z,15Z))",GVZPMAKRCVJEHH-VOPHZCSRSA-N
HMDB54919,886.705040747,C58H94O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,36-38,42,45,55H,4-7,9-10,12-15,18,21-24,28,32-33,35,39-41,43-44,46-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-,45-42-/t55-/m1/s1",WMCKCMOKQJRZOQ,DJHVOUSNSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/18:4(6Z,9Z,12Z,15Z))",WMCKCMOKQJRZOQ-DJHVOUSNSA-N
HMDB54920,914.736340876,C60H98O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,44,47,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40-43,45-46,48-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,47-44-/t57-/m1/s1",AVGBWEWMOZXGRX,JMLOXTDTSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/20:4(8Z,11Z,14Z,17Z))",AVGBWEWMOZXGRX-JMLOXTDTSA-N
HMDB54921,912.720690811,C60H96O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39-40,43-44,47,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,41-42,45-46,48-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-,47-44-/t57-/m1/s1",DARDXPFUFGSQBM,LXRQTIGQSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))",DARDXPFUFGSQBM-LXRQTIGQSA-N
HMDB54922,940.75199094,C62H100O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,46,49,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-/t59-/m1/s1",VNOQXPJFBDCZDY,IVJCKPJVSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))",VNOQXPJFBDCZDY-IVJCKPJVSA-N
HMDB54923,938.736340876,C62H98O6,[H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,45-46,48-49,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-44,47,50-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,48-45-,49-46-/t59-/m1/s1",KNCKTSADIVMSQM,UCWBDHLKSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KNCKTSADIVMSQM-UCWBDHLKSA-N
HMDB54924,880.788376449,C58H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,42,45,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-41,43-44,46-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-,45-42-/t56-/m1/s1",AUDMAXQDJPGLDK,GMOVGOSASA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/o-18:0)",AUDMAXQDJPGLDK-GMOVGOSASA-N
HMDB54925,954.767640996,C63H102O6,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-41,46-47,49-50,60H,4-15,18,21-24,29-30,35-37,42-45,48,51-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47-",YYUUNOIKGZVQNL,JMHIZBIHSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",YYUUNOIKGZVQNL-JMHIZBIHSA-N
HMDB54926,902.736340876,C59H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,37,43,46,56H,4-7,9-10,12-15,18,21-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m1/s1",BDPRIFGIFKBSPP,IRGOMYRMSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/18:3(9Z,12Z,15Z))",BDPRIFGIFKBSPP-IRGOMYRMSA-N
HMDB54927,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35-37,39,43,46,56H,4-7,9-10,12-15,18,21-24,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-/t56-/m1/s1",LRLNNYOCFSSDOW,FFOJHVAPSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/18:4(6Z,9Z,12Z,15Z))",LRLNNYOCFSSDOW-FFOJHVAPSA-N
HMDB54928,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,39,45,48,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-/t58-/m1/s1",NJFRIRTYGXUDNJ,RVAJWKFASA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/20:4(8Z,11Z,14Z,17Z))",NJFRIRTYGXUDNJ-RVAJWKFASA-N
HMDB54929,926.736340876,C61H98O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,39,41,44-45,48,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m1/s1",MQGQLYGZLKQEGM,SBRPBWLSSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))",MQGQLYGZLKQEGM-SBRPBWLSSA-N
HMDB54930,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-41,47,50,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,50-47-/t60-/m1/s1",AAQXAMYHTKLRRO,GRSNDSDLSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",AAQXAMYHTKLRRO-GRSNDSDLSA-N
HMDB54931,952.75199094,C63H100O6,[H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-41,46-47,49-50,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,42-45,48,51-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47-/t60-/m1/s1",CWMAMCLCHMLZCC,LWFQFFGBSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CWMAMCLCHMLZCC-LWFQFFGBSA-N
HMDB54932,894.804026513,C59H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,35,37,43,46,57H,4-15,17-18,20-24,26,28-29,32-34,36,38-42,44-45,47-56H2,1-3H3/b19-16-,27-25-,31-30-,37-35-,46-43-/t57-/m1/s1",OKQURVBNUVJFTF,XHQSIFOKSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/o-18:0)",OKQURVBNUVJFTF-XHQSIFOKSA-N
HMDB54933,982.798941124,C65H106O6,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-15,18,21-24,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-",GOOBKVMTDPBINR,LTLPTZSTSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",GOOBKVMTDPBINR-LTLPTZSTSA-N
HMDB54934,930.767641004,C61H102O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30-32,36,39,45,48,58H,4-7,9-10,12-15,18,21-24,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,48-45-/t58-/m1/s1",IMOBPWCORVZVBL,BBISSRIXSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/18:3(9Z,12Z,15Z))",IMOBPWCORVZVBL-BBISSRIXSA-N
HMDB54935,928.75199094,C61H100O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30-32,36,38-39,41,45,48,58H,4-7,9-10,12-15,18,21-24,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-/t58-/m1/s1",ZLTWWIMCVBNOJL,XFGQRRDISA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/18:4(6Z,9Z,12Z,15Z))",ZLTWWIMCVBNOJL-XFGQRRDISA-N
HMDB54936,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,47,50,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-/t60-/m1/s1",RQCPUHOLUCPXJR,JZQXEADASA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/20:4(8Z,11Z,14Z,17Z))",RQCPUHOLUCPXJR-JZQXEADASA-N
HMDB54937,954.767641004,C63H102O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m1/s1",MRTBICLGLIFHGX,UCNLEOGPSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",MRTBICLGLIFHGX-UCNLEOGPSA-N
HMDB54938,982.798941133,C65H106O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,39-40,42-43,49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-38,41,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,52-49-/t62-/m1/s1",IWDKKHDTLZIMDP,JJBZPZRBSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",IWDKKHDTLZIMDP-JJBZPZRBSA-N
HMDB54939,980.783291069,C65H104O6,[H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-/t62-/m1/s1",BJLJPRPQCIEYGL,KNLSQFHDSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BJLJPRPQCIEYGL-KNLSQFHDSA-N
HMDB54940,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,36,39,45,48,59H,4-15,17-18,20-24,26-27,29-30,33-35,37-38,40-44,46-47,49-58H2,1-3H3/b19-16-,28-25-,32-31-,39-36-,48-45-/t59-/m1/s1",VENIMIUWNHEJQS,XQUJJIJKSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/o-18:0)",VENIMIUWNHEJQS-XQUJJIJKSA-N
HMDB54941,1010.830241252,C67H110O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50-51,53-54,64H,4-15,18,21-24,27,30-32,35,38-40,43,46-49,52,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-,54-51-",CIHBVWQCLPNLDY,AGDLHCMSSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))",CIHBVWQCLPNLDY-AGDLHCMSSA-N
HMDB54942,958.798941133,C63H106O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,41,47,50,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,50-47-/t60-/m1/s1",OVIVEYNLEWNFJB,LKIGIBKTSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/18:3(9Z,12Z,15Z))",OVIVEYNLEWNFJB-LKIGIBKTSA-N
HMDB54943,956.783291069,C63H104O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,40-41,43,47,50,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-,50-47-/t60-/m1/s1",PDOJEFKZWZWMCQ,UZTGSJIYSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/18:4(6Z,9Z,12Z,15Z))",PDOJEFKZWZWMCQ-UZTGSJIYSA-N
HMDB54944,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,49,52,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,52-49-/t62-/m1/s1",HYCCCLXPVQJGHG,KKONBEHCSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/20:4(8Z,11Z,14Z,17Z))",HYCCCLXPVQJGHG-KKONBEHCSA-N
HMDB54945,982.798941133,C65H106O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-/t62-/m1/s1",SBCGVDJIWXISGN,CNCVOULMSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",SBCGVDJIWXISGN-CNCVOULMSA-N
HMDB54946,1010.830241262,C67H110O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,51,54,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-40,43,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,54-51-/t64-/m1/s1",OELXHWYTSXBKPU,QABINTEJSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",OELXHWYTSXBKPU-QABINTEJSA-N
HMDB54947,1008.814591198,C67H108O6,[H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50-51,53-54,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-40,43,46-49,52,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-,54-51-/t64-/m1/s1",NFJKPCJQUKFBLN,LZRZNQNUSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NFJKPCJQUKFBLN-LZRZNQNUSA-N
HMDB54948,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,38,41,47,50,61H,4-15,17-18,20-24,26-27,29-31,33,35-37,39-40,42-46,48-49,51-60H2,1-3H3/b19-16-,28-25-,34-32-,41-38-,50-47-/t61-/m1/s1",WZUOZWXCEUQTRE,FWYBNBHVSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/o-18:0)",WZUOZWXCEUQTRE-FWYBNBHVSA-N
HMDB54949,1038.86154138,C69H114O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-15,18,21-24,27,30-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-",ZBPBKHVJGXRLEZ,TVZWQLDNSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZBPBKHVJGXRLEZ-TVZWQLDNSA-N
HMDB54950,986.830241262,C65H110O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,40,43,49,52,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,52-49-/t62-/m1/s1",HWKMDCGCLOIDKT,CGNXJODCSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/18:3(9Z,12Z,15Z))",HWKMDCGCLOIDKT-CGNXJODCSA-N
HMDB54951,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,40,42-43,45,49,52,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-,52-49-/t62-/m1/s1",HNKKNVSRDAAAPI,PSADZTCASA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/18:4(6Z,9Z,12Z,15Z))",HNKKNVSRDAAAPI-PSADZTCASA-N
HMDB54952,1012.845891326,C67H112O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,51,54,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,54-51-/t64-/m1/s1",DKNMBFRBJDNJSD,YNVAYCPXSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/20:4(8Z,11Z,14Z,17Z))",DKNMBFRBJDNJSD-YNVAYCPXSA-N
HMDB54953,1010.830241262,C67H110O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-/t64-/m1/s1",VMBOIKGLBXHPQA,SVCJIBOWSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",VMBOIKGLBXHPQA-SVCJIBOWSA-N
HMDB54954,1038.861541391,C69H114O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,53,56,66H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,45,48-52,54-55,57-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,56-53-/t66-/m1/s1",GPTIOQQJUBWEEI,ONFUVZKOSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",GPTIOQQJUBWEEI-ONFUVZKOSA-N
HMDB54955,1036.845891326,C69H112O6,[H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-/t66-/m1/s1",ZBGJFOZTRFBQBX,WUPQLRBNSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZBGJFOZTRFBQBX-WUPQLRBNSA-N
HMDB54956,978.8979269,C65H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,40,43,49,52,63H,4-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,28-25-,35-33-,43-40-,52-49-/t63-/m1/s1",HXUXRTFGEWNKSN,WGTCUCJGSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/o-18:0)",HXUXRTFGEWNKSN-WGTCUCJGSA-N
HMDB54957,1066.892841508,C71H118O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-16,19,22-25,28,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-",LNSRLTPPKJJMDQ,ZWBBSESJSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))",LNSRLTPPKJJMDQ-ZWBBSESJSA-N
HMDB54958,1014.861541391,C67H114O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,42,45,51,54,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,54-51-/t64-/m1/s1",RYCTXUBDDWFPAG,BPOFUZSYSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/18:3(9Z,12Z,15Z))",RYCTXUBDDWFPAG-BPOFUZSYSA-N
HMDB54959,1012.845891326,C67H112O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,42,44-45,47,51,54,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-/t64-/m1/s1",SVHSRFWCLOSTPY,WICGEYNISA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/18:4(6Z,9Z,12Z,15Z))",SVHSRFWCLOSTPY-WICGEYNISA-N
HMDB54960,1040.877191455,C69H116O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,53,56,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-/t66-/m1/s1",VEMKYPNCILPWGA,PVEVKHSASA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/20:4(8Z,11Z,14Z,17Z))",VEMKYPNCILPWGA-PVEVKHSASA-N
HMDB54961,1038.861541391,C69H114O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-/t66-/m1/s1",JPDUOLYLNOBJHU,QQCZALABSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",JPDUOLYLNOBJHU-QQCZALABSA-N
HMDB54962,1066.89284152,C71H118O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,55,58,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,47,50-54,56-57,59-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,58-55-/t68-/m1/s1",JICFSUSDWHNLGF,AUEOWITGSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",JICFSUSDWHNLGF-AUEOWITGSA-N
HMDB54963,1064.877191455,C71H116O6,[H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-/t68-/m1/s1",NYYUMGBLWDENKT,HYQWCTMWSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NYYUMGBLWDENKT-HYQWCTMWSA-N
HMDB54964,1006.929227028,C67H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,42,45,51,54,65H,4-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b20-17-,29-26-,37-35-,45-42-,54-51-/t65-/m1/s1",YBESYSZMNDNOKA,PUBUABHRSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/o-18:0)",YBESYSZMNDNOKA-PUBUABHRSA-N
HMDB54965,924.720690804,C61H96O6,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,44-45,47-48,58H,4-14,21-23,28-29,34-35,38,41-43,46,49-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-,48-45-",IZGDWRLRMLPRRH,HGIKELJJSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IZGDWRLRMLPRRH-HGIKELJJSA-N
HMDB54966,872.689390682,C57H92O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,36,41,44,54H,4-7,9-10,12-14,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m1/s1",FJZLLIACVSHWSI,FHEZECBNSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/18:3(9Z,12Z,15Z))",FJZLLIACVSHWSI-FHEZECBNSA-N
HMDB54967,870.673740618,C57H90O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,35-37,41,44,54H,4-7,9-10,12-14,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-/t54-/m1/s1",LRZLUZNLZAXIBR,NAVVGUBFSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",LRZLUZNLZAXIBR-NAVVGUBFSA-N
HMDB54968,898.705040747,C59H94O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,43,46,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-/t56-/m1/s1",DMOLKIYNKXRUIN,SBKNKAKFSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",DMOLKIYNKXRUIN-SBKNKAKFSA-N
HMDB54969,896.689390682,C59H92O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-/t56-/m1/s1",JKUUMGDDGGCLAK,QNXFVKATSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",JKUUMGDDGGCLAK-QNXFVKATSA-N
HMDB54970,924.720690811,C61H96O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-/t58-/m1/s1",PDVSJXMAWVPRGI,HCRQISOCSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PDVSJXMAWVPRGI-HCRQISOCSA-N
HMDB54971,922.705040747,C61H94O6,[H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,44-45,47-48,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-43,46,49-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-,48-45-/t58-/m1/s1",UNNOIUGWTCLNPY,JPUDEPFNSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UNNOIUGWTCLNPY-JPUDEPFNSA-N
HMDB54972,864.75707632,C57H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,33,36,41,44,55H,4-14,17,20-23,25,27-28,31-32,34-35,37-40,42-43,45-54H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,36-33-,44-41-/t55-/m1/s1",ZNTJHSADIKAENG,AMGYIWELSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/o-18:0)",ZNTJHSADIKAENG-AMGYIWELSA-N
HMDB54973,952.751990932,C63H100O6,CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-41,46-47,49-50,60H,4-15,18,22-23,29-30,35-37,42-45,48,51-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47-",UYDNDHADQTVNOZ,LOHKOGBUSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UYDNDHADQTVNOZ-LOHKOGBUSA-N
HMDB54974,900.720690811,C59H96O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,37,43,46,56H,4-7,9-10,12-15,18,22-23,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m1/s1",NNCRXYJYPJVORP,UYRUXIIFSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",NNCRXYJYPJVORP-UYRUXIIFSA-N
HMDB54975,898.705040747,C59H94O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35-37,39,43,46,56H,4-7,9-10,12-15,18,22-23,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-/t56-/m1/s1",AHHLRKZCYUGINQ,NGMOCUGRSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))",AHHLRKZCYUGINQ-NGMOCUGRSA-N
HMDB54976,926.736340876,C61H98O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,39,45,48,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-/t58-/m1/s1",OKWKJFRPEYSMRL,LSBMMVRQSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",OKWKJFRPEYSMRL-LSBMMVRQSA-N
HMDB54977,924.720690811,C61H96O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m1/s1",IZQCWCMPLLSHHW,XBYVEBAOSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",IZQCWCMPLLSHHW-XBYVEBAOSA-N
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HMDB54979,950.736340876,C63H98O6,[H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-41,46-47,49-50,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,42-45,48,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47-/t60-/m1/s1",PUOVZYPITHLVPK,YBWKOZPNSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PUOVZYPITHLVPK-YBWKOZPNSA-N
HMDB54980,892.788376449,C59H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,37,43,46,57H,4-15,17-18,20,22-23,26,28-29,32-34,36,38-42,44-45,47-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,37-35-,46-43-/t57-/m1/s1",IXDBGZRZYWQAGZ,XEANGVLMSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/o-18:0)",IXDBGZRZYWQAGZ-XEANGVLMSA-N
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HMDB54983,926.736340876,C61H98O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30-32,36,38-39,41,45,48,58H,4-7,9-10,12-15,18,22-23,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-/t58-/m1/s1",XQUHXBUUANKABD,BPHILNOASA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",XQUHXBUUANKABD-BPHILNOASA-N
HMDB54984,954.767641004,C63H102O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,47,50,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-/t60-/m1/s1",GMDHPKIMMXSUTI,OSSZCOIVSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",GMDHPKIMMXSUTI-OSSZCOIVSA-N
HMDB54985,952.75199094,C63H100O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m1/s1",FAJMBORGLMHRDE,RFXOIXLHSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FAJMBORGLMHRDE-RFXOIXLHSA-N
HMDB54986,980.783291069,C65H104O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,39-40,42-43,49,52,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-38,41,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,52-49-/t62-/m1/s1",HHHZTIJSFLQUDN,GKCXLFGOSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HHHZTIJSFLQUDN-GKCXLFGOSA-N
HMDB54987,978.767640996,C65H102O6,CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-",HFBJTSRFGJNOKC,YIEKUZANSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HFBJTSRFGJNOKC-YIEKUZANSA-N
HMDB54988,920.819676578,C61H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,36,39,45,48,59H,4-15,17-18,20,22-23,26-27,29-30,33-35,37-38,40-44,46-47,49-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,39-36-,48-45-/t59-/m1/s1",JAPFLOIGQUDHMP,PXAMLXGHSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/o-18:0)",JAPFLOIGQUDHMP-PXAMLXGHSA-N
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HMDB55002,1008.814591198,C67H108O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,41-42,44-45,51,54,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-40,43,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,54-51-/t64-/m1/s1",IJUDYHVLPVBRAT,IKLYGODLSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IJUDYHVLPVBRAT-IKLYGODLSA-N
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HMDB55009,976.75199094,C65H100O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-7,9-10,12-15,18,21-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-/t62-/m1/s1",WAPIAFALOIFIDE,FGFFKGABSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",WAPIAFALOIFIDE-FGFFKGABSA-N
HMDB55010,1004.783291069,C67H104O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,40-45,49,51-52,54,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-39,46-48,50,53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,54-51-/t64-/m1/s1",PRHCGOPNLYSURB,UISSIGGLSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PRHCGOPNLYSURB-UISSIGGLSA-N
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HMDB55014,984.814591198,C65H108O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,40,43,49,52,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-/t62-/m1/s1",XTJGMEIFYSORIB,YKLVCUOMSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/18:3(9Z,12Z,15Z))",XTJGMEIFYSORIB-YKLVCUOMSA-N
HMDB55015,982.798941133,C65H106O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,40,42-43,45,49,52,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-,52-49-/t62-/m1/s1",AYMYIPAHVICLMC,JTCCEBTCSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))",AYMYIPAHVICLMC-JTCCEBTCSA-N
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HMDB55018,1036.845891326,C69H112O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43-44,46-47,53,56,66H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,45,48-52,54-55,57-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,56-53-/t66-/m1/s1",FONRFHVFSOQGLL,KMVOFCKOSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FONRFHVFSOQGLL-KMVOFCKOSA-N
HMDB55019,1034.830241262,C69H110O6,[H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-/t66-/m1/s1",PXXWYGWSUOVODY,PNKJSAPTSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PXXWYGWSUOVODY-PNKJSAPTSA-N
HMDB55020,976.882276835,C65H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,40,43,49,52,63H,4-15,17-18,20-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,43-40-,52-49-/t63-/m1/s1",UCZNBIGDYFWEDG,OFGBTHDTSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/o-18:0)",UCZNBIGDYFWEDG-OFGBTHDTSA-N
HMDB55021,1064.877191444,C71H116O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-16,19,22-24,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-",UUMNDGFISHIVQG,JZXOXIJPSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UUMNDGFISHIVQG-JZXOXIJPSA-N
HMDB55022,1012.845891326,C67H112O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,42,45,51,54,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,54-51-/t64-/m1/s1",TWYCRFDAYLABDN,KJVJWQENSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/18:3(9Z,12Z,15Z))",TWYCRFDAYLABDN-KJVJWQENSA-N
HMDB55023,1010.830241262,C67H110O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,42,44-45,47,51,54,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-/t64-/m1/s1",IVCACYRGJRREMI,YVNHRWOHSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))",IVCACYRGJRREMI-YVNHRWOHSA-N
HMDB55024,1038.861541391,C69H114O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,40,43-44,47,53,56,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-/t66-/m1/s1",STPZJACBZJGQHH,SIVQXUAUSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",STPZJACBZJGQHH-SIVQXUAUSA-N
HMDB55025,1036.845891326,C69H112O6,[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,40,43-44,47,49,52-53,56,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-/t66-/m1/s1",YDKWLHRVKNFCBX,OIRORUKGSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YDKWLHRVKNFCBX-OIRORUKGSA-N
HMDB55026,1064.877191455,C71H116O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,55,58,68H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-54,56-57,59-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,58-55-/t68-/m1/s1",BPWHLXQWPNLECB,HVYIPWGNSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BPWHLXQWPNLECB-HVYIPWGNSA-N
HMDB55027,1062.861541391,C71H114O6,[H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-/t68-/m1/s1",GGRXUZMBHRSKFS,UUWBQUHQSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GGRXUZMBHRSKFS-UUWBQUHQSA-N
HMDB55028,1004.913576964,C67H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,42,45,51,54,65H,4-16,18-19,21-24,27,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b20-17-,28-25-,29-26-,37-35-,45-42-,54-51-/t65-/m1/s1",VBTDIDHGOLGRCU,SVKXPBCSSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/o-18:0)",VBTDIDHGOLGRCU-SVKXPBCSSA-N
HMDB55029,978.767641004,C65H102O6,[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-15,22-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49-",MOBYCDUVYHPIKW,QTUVSTJQSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MOBYCDUVYHPIKW-QTUVSTJQSA-N
HMDB55030,926.736340876,C61H98O6,[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-33,36,39,45,48,58H,4-7,9-10,12-15,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m1/s1",KXKXAZNWNCGCIY,TWECNNLKSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",KXKXAZNWNCGCIY-TWECNNLKSA-N
HMDB55031,924.720690811,C61H96O6,[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-33,36,38-39,41,45,48,58H,4-7,9-10,12-15,22-24,29,34-35,37,40,42-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,48-45-/t58-/m1/s1",VDBKGOXLBQIZPU,ASKNWMCUSA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",VDBKGOXLBQIZPU-ASKNWMCUSA-N
HMDB55032,952.75199094,C63H100O6,[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,37-38,41,47,50,60H,4-7,9-10,12-15,22-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-/t60-/m1/s1",YVMNXNALYLASPR,OOMDIUAISA,N,"TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",YVMNXNALYLASPR-OOMDIUAISA-N
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HMDB55179,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32-33,36,42,45,58H,4-6,8,11,13-15,17,20,22-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-27-,36-33-,45-42-/t58-/m0/s1",VWIVABILTYMDNT,SMEJTKKOSA,N,"TG(18:3(9Z,12Z,15Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))",VWIVABILTYMDNT-SMEJTKKOSA-N
HMDB55180,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,41,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-/t60-/m0/s1",UVKBBNGIOHOUEE,CUUYKELTSA,N,"TG(18:3(9Z,12Z,15Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",UVKBBNGIOHOUEE-CUUYKELTSA-N
HMDB55181,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,41,47,50,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1",DSKCDSMBKQZQNR,DTNNTXARSA,N,"TG(18:3(9Z,12Z,15Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DSKCDSMBKQZQNR-DTNNTXARSA-N
HMDB55182,898.835326642,C59H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-56H2,1-3H3/b12-9-,21-18-,31-27-/t57-/m1/s1",LGQVCOPGFBTYEU,NMAUIBPZSA,N,"TG(18:3(9Z,12Z,15Z)/20:0/o-18:0)",LGQVCOPGFBTYEU-NMAUIBPZSA-N
HMDB55183,934.798941124,C61H106O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,32-33,58H,4-7,10,13-16,19,22-25,28-31,34-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-",UMGAIZYSBHCWQK,HMUFUGGHSA,N,"TG(18:3(9Z,12Z,15Z)/22:0/18:3(9Z,12Z,15Z))",UMGAIZYSBHCWQK-HMUFUGGHSA-N
HMDB55184,932.783291069,C61H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,32-33,38,41,58H,4-7,10,13-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-,41-38-/t58-/m1/s1",MIOXVIHSYDEDRF,ZCAILDNMSA,N,"TG(18:3(9Z,12Z,15Z)/22:0/18:4(6Z,9Z,12Z,15Z))",MIOXVIHSYDEDRF-ZCAILDNMSA-N
HMDB55185,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,38,60H,4-7,10,13-16,19,22-25,28,30-33,36-37,39-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,38-35-/t60-/m0/s1",RHLYLWMSKMEZLA,HSOFNHABSA,N,"TG(18:3(9Z,12Z,15Z)/22:0/20:4(8Z,11Z,14Z,17Z))",RHLYLWMSKMEZLA-HSOFNHABSA-N
HMDB55186,958.798941133,C63H106O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,38,44,47,60H,4-7,10,13-16,19,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1",RTQRXFBDRZBVFU,TYXQVQFXSA,N,"TG(18:3(9Z,12Z,15Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",RTQRXFBDRZBVFU-TYXQVQFXSA-N
HMDB55187,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,40,43,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-/t62-/m0/s1",JVGBCYKBEMFOFZ,UPKPYAHRSA,N,"TG(18:3(9Z,12Z,15Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",JVGBCYKBEMFOFZ-UPKPYAHRSA-N
HMDB55188,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,40,43,49,52,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1",HCFCBAQRSXUVBG,KIVSDPCPSA,N,"TG(18:3(9Z,12Z,15Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HCFCBAQRSXUVBG-KIVSDPCPSA-N
HMDB55189,926.866626771,C61H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,33,59H,4-8,10-11,13-17,19-20,22-26,28-32,34-58H2,1-3H3/b12-9-,21-18-,33-27-/t59-/m1/s1",HBROMTOKCOWBCF,HAPINPQDSA,N,"TG(18:3(9Z,12Z,15Z)/22:0/o-18:0)",HBROMTOKCOWBCF-HAPINPQDSA-N
HMDB55190,962.830241252,C63H110O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,34-35,60H,4-7,10,13-16,19,22-25,28-33,36-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-",YZQJJIWXQVTOPY,VRUQJSDHSA,N,"TG(18:3(9Z,12Z,15Z)/24:0/18:3(9Z,12Z,15Z))",YZQJJIWXQVTOPY-VRUQJSDHSA-N
HMDB55191,960.814591198,C63H108O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,34-35,40,43,60H,4-7,10,13-16,19,22-25,28-33,36-39,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-,43-40-/t60-/m1/s1",WODCMPXYFFHLIO,SXCCRVFJSA,N,"TG(18:3(9Z,12Z,15Z)/24:0/18:4(6Z,9Z,12Z,15Z))",WODCMPXYFFHLIO-SXCCRVFJSA-N
HMDB55192,988.845891326,C65H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36-37,40,62H,4-7,10,13-16,19,22-25,28,30-35,38-39,41-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,40-37-/t62-/m0/s1",HMMSUJBIMTWNFU,GOLGATPSSA,N,"TG(18:3(9Z,12Z,15Z)/24:0/20:4(8Z,11Z,14Z,17Z))",HMMSUJBIMTWNFU-GOLGATPSSA-N
HMDB55193,986.830241262,C65H110O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36-37,40,46,49,62H,4-7,10,13-16,19,22-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,40-37-,49-46-/t62-/m0/s1",ZZOZSFZAHNBERO,MTJVGRCXSA,N,"TG(18:3(9Z,12Z,15Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",ZZOZSFZAHNBERO-MTJVGRCXSA-N
HMDB55194,1014.861541391,C67H114O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,42,45,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-/t64-/m0/s1",APPNRJBGIWNIHQ,ZWXFAGKUSA,N,"TG(18:3(9Z,12Z,15Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",APPNRJBGIWNIHQ-ZWXFAGKUSA-N
HMDB55195,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,42,45,51,54,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,54-51-/t64-/m0/s1",CRFTZGJMUGKAMA,MZAKJRODSA,N,"TG(18:3(9Z,12Z,15Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CRFTZGJMUGKAMA-MZAKJRODSA-N
HMDB55196,954.8979269,C63H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,35,61H,4-8,10-11,13-17,19-20,22-26,28-34,36-60H2,1-3H3/b12-9-,21-18-,35-27-/t61-/m1/s1",MGVLRAKEBILBAC,KHKGUJNRSA,N,"TG(18:3(9Z,12Z,15Z)/24:0/o-18:0)",MGVLRAKEBILBAC-KHKGUJNRSA-N
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HMDB55198,818.642440489,C53H86O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,31,33,50H,4-6,9,12-14,21-23,28-30,32,34-49H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,33-31-/t50-/m1/s1",UQNFVLPJEYFOGI,XHJYCVRXSA,N,"TG(18:3(9Z,12Z,15Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",UQNFVLPJEYFOGI-XHJYCVRXSA-N
HMDB55199,846.673740618,C55H90O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,52H,4-6,9,12-14,21-23,27,30,32-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m0/s1",FPHQNVLDEFKREE,ZXLLINOHSA,N,"TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",FPHQNVLDEFKREE-ZXLLINOHSA-N
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HMDB55203,812.725776191,C53H96O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,51H,4-7,9-10,12-14,16,19,21-24,26,28-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-/t51-/m1/s1",VCVHUXJLGVVNAT,WFBMQPNDSA,N,"TG(18:3(9Z,12Z,15Z)/14:1(9Z)/o-18:0)",VCVHUXJLGVVNAT-WFBMQPNDSA-N
HMDB55204,848.689390676,C55H92O6,CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,52H,4-6,9,12-15,18,22-23,29-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-",YFKHHKBKCWJRNN,UNGMIAJPSA,N,"TG(18:3(9Z,12Z,15Z)/16:1(9Z)/18:3(9Z,12Z,15Z))",YFKHHKBKCWJRNN-UNGMIAJPSA-N
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HMDB55206,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,54H,4-6,9,12-15,18,22-23,28,31-32,34-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-/t54-/m0/s1",JXTJMGPQMAPANY,KBCYVHPUSA,N,"TG(18:3(9Z,12Z,15Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))",JXTJMGPQMAPANY-KBCYVHPUSA-N
HMDB55207,872.689390682,C57H92O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,38,41,54H,4-6,9,12-15,18,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1",MNJGGRJMRMFAQB,KZNGVWQISA,N,"TG(18:3(9Z,12Z,15Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",MNJGGRJMRMFAQB-KZNGVWQISA-N
HMDB55208,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35,37,56H,4-6,9,12-15,18,22-23,28,32-34,36,38-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-/t56-/m0/s1",YEIYHQZOMAQZID,NQEISCIQSA,N,"TG(18:3(9Z,12Z,15Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YEIYHQZOMAQZID-NQEISCIQSA-N
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HMDB55210,840.75707632,C55H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,53H,4-7,9-10,12-16,18-19,22-23,25,27,29-52H2,1-3H3/b11-8-,20-17-,24-21-,28-26-/t53-/m1/s1",RTOOHKYJZMFEHQ,ULGKXKKNSA,N,"TG(18:3(9Z,12Z,15Z)/16:1(9Z)/o-18:0)",RTOOHKYJZMFEHQ-ULGKXKKNSA-N
HMDB55212,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,34,37,54H,4-6,9,12-15,18,22-23,27,30-33,35-36,38-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,37-34-/t54-/m1/s1",SJWRSJVJHOGVJG,FZURGLLESA,N,"TG(18:3(9Z,12Z,15Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",SJWRSJVJHOGVJG-FZURGLLESA-N
HMDB55213,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30,32,34,56H,4-6,9,12-15,18,22-23,27,29,31,33,35-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-/t56-/m0/s1",DDXGSYIATHLKAV,RXBKRQEDSA,N,"TG(18:3(9Z,12Z,15Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",DDXGSYIATHLKAV-RXBKRQEDSA-N
HMDB55214,900.720690811,C59H96O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30,32,34,40,43,56H,4-6,9,12-15,18,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1",OEMFAWUKBJFEBP,GIFQHGOPSA,N,"TG(18:3(9Z,12Z,15Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",OEMFAWUKBJFEBP-GIFQHGOPSA-N
HMDB55215,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30-32,36,39,58H,4-6,9,12-15,18,22-23,27,29,33-35,37-38,40-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-/t58-/m0/s1",BCJLXRMNMAZUCN,SRIPAJDESA,N,"TG(18:3(9Z,12Z,15Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BCJLXRMNMAZUCN-SRIPAJDESA-N
HMDB55216,926.736340876,C61H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30-32,36,39,45,48,58H,4-6,9,12-15,18,22-23,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,48-45-/t58-/m0/s1",IPBPTLGRVGVADG,JIJSBALRSA,N,"TG(18:3(9Z,12Z,15Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IPBPTLGRVGVADG-JIJSBALRSA-N
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HMDB55219,874.705040747,C57H94O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34,37,54H,4-6,9,12-15,18,21-24,31-33,35-36,38-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-/t54-/m1/s1",WACDMIXAKCLZEK,LOIJBXGPSA,N,"TG(18:3(9Z,12Z,15Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",WACDMIXAKCLZEK-LOIJBXGPSA-N
HMDB55220,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30-32,34,56H,4-6,9,12-15,18,21-24,29,33,35-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-/t56-/m0/s1",CSPHNJPHUPWBLL,FIYABMJSSA,N,"TG(18:3(9Z,12Z,15Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",CSPHNJPHUPWBLL-FIYABMJSSA-N
HMDB55224,868.788376449,C57H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,55H,4-7,9-10,12-16,18-19,21-25,28,31-54H2,1-3H3/b11-8-,20-17-,29-26-,30-27-/t55-/m1/s1",QKBOUSRTZKBNLJ,KJNSHSROSA,N,"TG(18:3(9Z,12Z,15Z)/18:1(9Z)/o-18:0)",QKBOUSRTZKBNLJ-KJNSHSROSA-N
HMDB55225,904.751990932,C59H100O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,30-31,56H,4-7,10,13-16,19,22-24,29,32-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-",GKRPROWLOODOBQ,MWZALWFRSA,N,"TG(18:3(9Z,12Z,15Z)/20:1(11Z)/18:3(9Z,12Z,15Z))",GKRPROWLOODOBQ-MWZALWFRSA-N
HMDB55226,902.736340876,C59H98O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,30-31,36,39,56H,4-7,10,13-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1",PZFYNMHZMAJBKC,CNHSECOKSA,N,"TG(18:3(9Z,12Z,15Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))",PZFYNMHZMAJBKC-CNHSECOKSA-N
HMDB55227,930.767641004,C61H102O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,36,58H,4-6,8,11,13-15,17,20,22-24,30-31,34-35,37-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-/t58-/m0/s1",MEHHKMFKZCJNLO,WSMRMXITSA,N,"TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",MEHHKMFKZCJNLO-WSMRMXITSA-N
HMDB55228,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,36,42,45,58H,4-6,8,11,13-15,17,20,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m0/s1",YNFOPZHMOLUMQK,PQBHZDDRSA,N,"TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",YNFOPZHMOLUMQK-PQBHZDDRSA-N
HMDB55229,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1",GGWFIQWJEZZPGR,RHSNWCIXSA,N,"TG(18:3(9Z,12Z,15Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GGWFIQWJEZZPGR-RHSNWCIXSA-N
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HMDB55552,928.75199094,C61H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,41,44,58H,4-6,9,12-15,18,21-24,27,30-32,37-40,42-43,45-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,44-41-/t58-/m1/s1",PGBYIPIITYCPDE,ZXADXLSWSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))",PGBYIPIITYCPDE-ZXADXLSWSA-N
HMDB55553,956.783291069,C63H104O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,60H,4-6,9,12-15,18,21-24,27,30,32,34,36,39-40,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-/t60-/m0/s1",NQBFZMRNBOGVBN,AAUNIOLPSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",NQBFZMRNBOGVBN-AAUNIOLPSA-N
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HMDB55559,982.798941133,C65H106O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,49,52,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,52-49-/t62-/m0/s1",SGYLTJBJONQDJV,NJCGKVLMSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SGYLTJBJONQDJV-NJCGKVLMSA-N
HMDB55560,924.850976706,C61H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-58H2,1-3H3/b10-7-,19-16-,28-25-,36-33-/t59-/m1/s1",AHWAAIWRGKZIQL,PNXODHRNSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/20:0/o-18:0)",AHWAAIWRGKZIQL-PNXODHRNSA-N
HMDB55561,986.830241252,C65H110O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,62H,4-7,10,13-16,19,22-25,28,31-35,38,41-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-",XYUWSXGCARJRBT,ZORWLSCBSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/22:0/20:4(8Z,11Z,14Z,17Z))",XYUWSXGCARJRBT-ZORWLSCBSA-N
HMDB55562,984.814591198,C65H108O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,45,48,62H,4-7,10,13-16,19,22-25,28,31-35,38,41-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-/t62-/m1/s1",BSBLQZAUAAKTPV,AKZHAIKWSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))",BSBLQZAUAAKTPV-AKZHAIKWSA-N
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HMDB55564,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,51,54,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,54-51-/t64-/m0/s1",AKJDUQBCDRYTFN,LKKUMFEQSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AKJDUQBCDRYTFN-LKKUMFEQSA-N
HMDB55565,952.882276835,C63H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-60H2,1-3H3/b11-8-,20-17-,29-26-,38-35-/t61-/m1/s1",SLYLFMOSDCVRJE,UPHNUPBLSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/22:0/o-18:0)",SLYLFMOSDCVRJE-UPHNUPBLSA-N
HMDB55566,1014.86154138,C67H114O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,38-39,41-42,64H,4-7,10,13-16,19,22-25,28,31-37,40,43-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-",UCTCXEKYBIGPJP,AMHYMICASA,N,"TG(20:4(8Z,11Z,14Z,17Z)/24:0/20:4(8Z,11Z,14Z,17Z))",UCTCXEKYBIGPJP-AMHYMICASA-N
HMDB55567,1012.845891326,C67H112O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,38-39,41-42,47,50,64H,4-7,10,13-16,19,22-25,28,31-37,40,43-46,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-/t64-/m1/s1",IAPYEICPNFERSI,OIJKUMIXSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))",IAPYEICPNFERSI-OIJKUMIXSA-N
HMDB55568,1040.877191455,C69H116O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-/t66-/m0/s1",FBLVYWZWWWCTJW,XVJCGJTISA,N,"TG(20:4(8Z,11Z,14Z,17Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",FBLVYWZWWWCTJW-XVJCGJTISA-N
HMDB55569,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,53,56,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-/t66-/m0/s1",ZYPMIJBPLKIVAC,KBUPNLARSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZYPMIJBPLKIVAC-KBUPNLARSA-N
HMDB55570,980.913576964,C65H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-62H2,1-3H3/b11-8-,20-17-,29-26-,40-37-/t63-/m1/s1",YCZACYYPUMNINQ,QYQMXAMVSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/24:0/o-18:0)",YCZACYYPUMNINQ-QYQMXAMVSA-N
HMDB55571,872.689390676,C57H92O6,CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,54H,4-6,9,12-14,21-23,28-29,34-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-",DIBBOZBZPSFRGW,ORJVNLIMSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",DIBBOZBZPSFRGW-ORJVNLIMSA-N
HMDB55572,870.673740618,C57H90O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,37,40,54H,4-6,9,12-14,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-/t54-/m1/s1",QWTJOZQWZVYACQ,PRIATAMGSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QWTJOZQWZVYACQ-PRIATAMGSA-N
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HMDB55606,1012.845891316,C67H112O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,38-39,41-42,64H,4-7,10,13-16,19,22-24,31-37,40,43-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-",NSIOYTNMGNLKBN,JVXIYOAESA,N,"TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))",NSIOYTNMGNLKBN-JVXIYOAESA-N
HMDB55607,1010.830241262,C67H110O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,38-39,41-42,47,50,64H,4-7,10,13-16,19,22-24,31-37,40,43-46,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-/t64-/m1/s1",DBDBKORJCKFKSV,HFMNGYMKSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",DBDBKORJCKFKSV-HFMNGYMKSA-N
HMDB55608,1038.861541391,C69H114O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,40,43-44,47,66H,4-7,10,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-/t66-/m0/s1",YUYHMIDBQUOQAK,SXORBDLVSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YUYHMIDBQUOQAK-SXORBDLVSA-N
HMDB55609,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,40,43-44,47,53,56,66H,4-7,10,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-/t66-/m0/s1",AZPSUEZRAFRITR,LBSJZQGDSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AZPSUEZRAFRITR-LBSJZQGDSA-N
HMDB55610,978.8979269,C65H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,63H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-/t63-/m1/s1",PRDPSPRPXWLYSK,FTYVMEFTSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/o-18:0)",PRDPSPRPXWLYSK-FTYVMEFTSA-N
HMDB55611,926.736340876,C61H98O6,[H]C(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,58H,4-6,9,12-15,22-24,30-31,37-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-",MFRZNOPEUCSXJO,QYGCZPHESA,N,"TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",MFRZNOPEUCSXJO-QYGCZPHESA-N
HMDB55612,924.720690811,C61H96O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,41,44,58H,4-6,9,12-15,22-24,30-31,37-40,42-43,45-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-/t58-/m1/s1",SOVSZEWJOOZRMD,GGDKLTOOSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",SOVSZEWJOOZRMD-GGDKLTOOSA-N
HMDB55613,952.75199094,C63H100O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41,60H,4-6,9,12-15,22-24,30,32,36,39-40,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-/t60-/m0/s1",CPUKBWQAKQTPIK,JGWAYSGHSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CPUKBWQAKQTPIK-JGWAYSGHSA-N
HMDB55614,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41,47,50,60H,4-6,9,12-15,22-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-/t60-/m0/s1",IJGCCDJMTARQLI,RSVQFWEASA,N,"TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IJGCCDJMTARQLI-RSVQFWEASA-N
HMDB55615,892.788376449,C59H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-32,34,57H,4-6,8-9,11-15,17,20,22-24,26,29-30,33,35-56H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,34-32-/t57-/m1/s1",XTOABKBEEAJCFC,ACTPSJGDSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/o-18:0)",XTOABKBEEAJCFC-ACTPSJGDSA-N
HMDB55616,924.720690804,C61H96O6,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,40,43,58H,4-6,9,12-15,22-24,30-31,37-39,41-42,44-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-",KHJBRHVZLQLMHJ,VBNXLDSESA,N,"TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",KHJBRHVZLQLMHJ-VBNXLDSESA-N
HMDB55617,922.705040747,C61H94O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,40-41,43-44,58H,4-6,9,12-15,22-24,30-31,37-39,42,45-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-/t58-/m1/s1",QZQUMMHNSGKOIY,LVWPYCNJSA,N,"TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",QZQUMMHNSGKOIY-LVWPYCNJSA-N
HMDB55618,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41-42,45,60H,4-6,9,12-15,22-24,30,32,36,39-40,43-44,46-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-/t60-/m0/s1",RBLPQIAUEMASDW,RCINLZDISA,N,"TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RBLPQIAUEMASDW-RCINLZDISA-N
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HMDB55702,982.798941133,C65H106O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-/t62-/m0/s1",VBWBSQDPLRPSQR,VUGLIEMDSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))",VBWBSQDPLRPSQR-VUGLIEMDSA-N
HMDB55703,980.783291069,C65H104O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-/t62-/m0/s1",QLWBFLGZPZRYRJ,OOXYMYJASA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QLWBFLGZPZRYRJ-OOXYMYJASA-N
HMDB55704,922.835326642,C61H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,42,45,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,45-42-/t59-/m1/s1",ARJVJJLZNRQXCA,VYCDAWFSSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/o-18:0)",ARJVJJLZNRQXCA-VYCDAWFSSA-N
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HMDB55707,1008.814591198,C67H108O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-/t64-/m0/s1",XHFOHFMWFXQHSA,UGSANQLHSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XHFOHFMWFXQHSA-UGSANQLHSA-N
HMDB55708,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,44,47,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,47-44-/t61-/m1/s1",MPOVRWPOBWYLDM,QVUOHJAASA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/o-18:0)",MPOVRWPOBWYLDM-QVUOHJAASA-N
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HMDB55710,1038.861541391,C69H114O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-/t66-/m0/s1",FGKCUHCIWXFYGL,AYTNCIBNSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",FGKCUHCIWXFYGL-AYTNCIBNSA-N
HMDB55711,1036.845891326,C69H112O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-/t66-/m0/s1",AGDFFXVKBYPIFJ,AACCPCLYSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AGDFFXVKBYPIFJ-AACCPCLYSA-N
HMDB55712,978.8979269,C65H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,46,49,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b11-8-,20-17-,29-26-,40-37-,49-46-/t63-/m1/s1",VCWAUQOAHSBQAZ,RRVUYMOJSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:0/o-18:0)",VCWAUQOAHSBQAZ-RRVUYMOJSA-N
HMDB55713,868.658090548,C57H88O6,CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,37-38,40-41,54H,4-6,9,12-14,21-23,28-29,34-36,39,42-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-",NVQOPVHWIFZZAM,RUWNLJRLSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",NVQOPVHWIFZZAM-RUWNLJRLSA-N
HMDB55714,896.689390682,C59H92O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38-39,42,56H,4-6,9,12-14,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m0/s1",VINPGOIFTKYNPX,RRENJFLISA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VINPGOIFTKYNPX-RRENJFLISA-N
HMDB55715,894.673740618,C59H90O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-6,9,12-14,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-/t56-/m0/s1",FPQMTUBKKGYWNT,VUEBXILJSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FPQMTUBKKGYWNT-VUEBXILJSA-N
HMDB55716,836.725776191,C55H96O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C55H96O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,36,39,53H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-35,37-38,40-52H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,39-36-/t53-/m1/s1",XYWSEPPJRISIMF,MOMZJLQQSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/o-18:0)",XYWSEPPJRISIMF-MOMZJLQQSA-N
HMDB55717,896.689390676,C59H92O6,CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-32,34-35,39-40,42-43,56H,4-6,9,12-15,18,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-",FGUKJVSJTDXSMX,FMMIQDJLSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",FGUKJVSJTDXSMX-FMMIQDJLSA-N
HMDB55718,924.720690811,C61H96O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,39,41,44,58H,4-6,9,12-15,18,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m0/s1",NEYWOJGVFURBQU,ODEBBKEBSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NEYWOJGVFURBQU-ODEBBKEBSA-N
HMDB55719,922.705040747,C61H94O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-6,9,12-15,18,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m0/s1",NZWPQPUIWBDHMI,NGWMEKLVSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NZWPQPUIWBDHMI-NGWMEKLVSA-N
HMDB55720,864.75707632,C57H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,38,41,55H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-,41-38-/t55-/m1/s1",AHWWRCCONHJVIW,WLGSDLAZSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/o-18:0)",AHWWRCCONHJVIW-WLGSDLAZSA-N
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HMDB55744,976.882276835,C65H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,46,49,63H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-,49-46-/t63-/m1/s1",HRTQASCOZLVXQW,IACXXEAUSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/o-18:0)",HRTQASCOZLVXQW-IACXXEAUSA-N
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HMDB55750,948.720690811,C63H96O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41-43,45-46,60H,4-6,9,12-15,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-/t60-/m0/s1",FDYNKSZUBKIIHC,PJLODPLVSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FDYNKSZUBKIIHC-PJLODPLVSA-N
HMDB55751,946.705040747,C63H94O6,[H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-6,9,12-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-/t60-/m0/s1",OCSMTLDGPLRUEZ,SGCJXJOISA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OCSMTLDGPLRUEZ-SGCJXJOISA-N
HMDB55752,888.75707632,C59H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-32,34,38,40-41,43,57H,4-6,8-9,11-15,17,20,22-24,26,29-30,33,35-37,39,42,44-56H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-/t57-/m1/s1",LUUVRJKDMITADU,CCEZLNSYSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/o-18:0)",LUUVRJKDMITADU-CCEZLNSYSA-N
HMDB55753,950.736340876,C63H98O6,[H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-35,37-38,43-44,46-47,60H,4-6,9,12-15,22-24,31-33,36,39-42,45,48-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-",XZQPWYKZBXEBQT,ADGOBWONSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))",XZQPWYKZBXEBQT-ADGOBWONSA-N
HMDB55754,978.767641004,C65H102O6,[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,32,35-36,39-40,43,45,48,62H,4-6,9,12-15,22-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-/t62-/m0/s1",VWIONIBYRJYTDI,IFDCYGMYSA,N,"TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))",VWIONIBYRJYTDI-IFDCYGMYSA-N
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HMDB55817,1008.814591198,C67H108O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50,53,64H,4-6,9,12-15,18,21-24,27,30-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-/t64-/m1/s1",XXXNSFNWCGWACM,DHCQBRRXSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XXXNSFNWCGWACM-DHCQBRRXSA-N
HMDB55818,950.866626771,C63H114O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,38,41,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-37,39-40,42-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,41-38-/t61-/m1/s1",UVGDFMKGDHVPHK,FJBTZJRYSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:0/o-18:0)",UVGDFMKGDHVPHK-FJBTZJRYSA-N
HMDB55819,1038.86154138,C69H114O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,66H,4-6,9,12-15,18,21-24,27,30-33,36,39-42,45,48-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-",RGRGPCOXAFETAE,CCIBSBSVSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))",RGRGPCOXAFETAE-CCIBSBSVSA-N
HMDB55820,1036.845891326,C69H112O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52,55,66H,4-6,9,12-15,18,21-24,27,30-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-/t66-/m1/s1",YRHCXGVHPVCWQA,XUVGJRLRSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YRHCXGVHPVCWQA-XUVGJRLRSA-N
HMDB55821,978.8979269,C65H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,40,43,63H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,43-40-/t63-/m1/s1",YMBQLAAMMNRJCJ,FXSOBSDHSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/o-18:0)",YMBQLAAMMNRJCJ-FXSOBSDHSA-N
HMDB55822,1066.892841508,C71H118O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,68H,4-7,10,13-16,19,22-25,28,31-35,38,41-44,47,50-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-",XPVUTVOMQSWFAL,OTHKCJDGSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))",XPVUTVOMQSWFAL-OTHKCJDGSA-N
HMDB55823,1064.877191455,C71H116O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54,57,68H,4-7,10,13-16,19,22-25,28,31-35,38,41-44,47,50-53,55-56,58-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-/t68-/m1/s1",KUWRZNSODAIGMA,ITURLATHSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KUWRZNSODAIGMA-ITURLATHSA-N
HMDB55824,1006.929227028,C67H122O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,42,45,65H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,29-26-,37-35-,45-42-/t65-/m1/s1",BFYLIGYQVCIISO,GDAPXBKOSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:0/o-18:0)",BFYLIGYQVCIISO-GDAPXBKOSA-N
HMDB55825,924.720690804,C61H96O6,CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-37,39-40,58H,4-6,9,12-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-",KCNBDVGTYULZQA,ULCZZHPQSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KCNBDVGTYULZQA-ULCZZHPQSA-N
HMDB55826,922.705040747,C61H94O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-37,39-40,44,47,58H,4-6,9,12-14,21-23,28-29,34-35,38,41-43,45-46,48-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-/t58-/m1/s1",YPXVBFTWBWZYGM,LGGVUIFESA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YPXVBFTWBWZYGM-LGGVUIFESA-N
HMDB55827,864.75707632,C57H100O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-/t55-/m1/s1",ZHPHVWHARZJCHZ,LEGBOPRUSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/o-18:0)",ZHPHVWHARZJCHZ-LEGBOPRUSA-N
HMDB55828,952.751990932,C63H100O6,CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-41,60H,4-6,9,12-15,18,22-23,29-30,35-37,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-",JNWVIGXAZADFPG,ZINUCVNLSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JNWVIGXAZADFPG-ZINUCVNLSA-N
HMDB55829,950.736340876,C63H98O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-41,46,49,60H,4-6,9,12-15,18,22-23,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-/t60-/m1/s1",HMPCAZAGFUYVFT,PDHJMVOMSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HMPCAZAGFUYVFT-PDHJMVOMSA-N
HMDB55830,892.788376449,C59H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30-31,35,37,57H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,32-34,36,38-56H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,31-30-,37-35-/t57-/m1/s1",JPZHSAXCJSUEBZ,ZENQEVRCSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/o-18:0)",JPZHSAXCJSUEBZ-ZENQEVRCSA-N
HMDB55831,980.78329106,C65H104O6,CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,39-40,42-43,62H,4-6,9,12-15,18,22-23,27,30-31,36-38,41,44-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-",IFGCAZDDZSPQTA,WBTHTHDDSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IFGCAZDDZSPQTA-WBTHTHDDSA-N
HMDB55832,978.767641004,C65H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,39-40,42-43,48,51,62H,4-6,9,12-15,18,22-23,27,30-31,36-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-/t62-/m1/s1",YXIRZGODZXSBEF,IMCBRIDQSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YXIRZGODZXSBEF-IMCBRIDQSA-N
HMDB55833,920.819676578,C61H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,31-32,36,39,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33-35,37-38,40-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,32-31-,39-36-/t59-/m1/s1",TUUDZHGYHTUMDT,OVMDILPISA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/o-18:0)",TUUDZHGYHTUMDT-OVMDILPISA-N
HMDB55836,920.819676578,C61H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-33,36,39,59H,4-6,8-9,11-15,17-18,20-24,26,29-30,34-35,37-38,40-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,33-27-,39-36-/t59-/m1/s1",PIBOOQGNSUBGML,NSULOBBHSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/o-18:0)",PIBOOQGNSUBGML-NSULOBBHSA-N
HMDB55837,1008.814591188,C67H108O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,41-42,44-45,64H,4-6,9,12-15,18,21-24,31-32,35,38-40,43,46-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-",VBBRZEAMKPWLSX,ACDIMXPPSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",VBBRZEAMKPWLSX-ACDIMXPPSA-N
HMDB55838,1006.798941133,C67H106O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,41-42,44-45,50,53,64H,4-6,9,12-15,18,21-24,31-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,53-50-/t64-/m1/s1",HOFMNWYCSCAVAH,BAGOXKETSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HOFMNWYCSCAVAH-BAGOXKETSA-N
HMDB55839,948.850976706,C63H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,38,41,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-37,39-40,42-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,41-38-/t61-/m1/s1",GDUXUDRMHCHQQG,BALULRCSSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/o-18:0)",GDUXUDRMHCHQQG-BALULRCSSA-N
HMDB55840,1004.78329106,C67H104O6,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,40-45,49,52,64H,4-6,9,12-15,18,21-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-",ZBQCWMUJOYZYEG,NSGGVKAMSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZBQCWMUJOYZYEG-NSGGVKAMSA-N
HMDB55841,1002.767641004,C67H102O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-6,9,12-15,18,21-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-/t64-/m1/s1",MELXTSIJXSTVIG,DXPBTLJQSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MELXTSIJXSTVIG-DXPBTLJQSA-N
HMDB55842,944.819676578,C63H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,36,38-39,41,45,48,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35,37,40,42-44,46-47,49-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-/t61-/m1/s1",MRBYYUNTUNMTMA,BCTNUBGWSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/o-18:0)",MRBYYUNTUNMTMA-BCTNUBGWSA-N
HMDB55843,1036.845891316,C69H112O6,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-35,37-38,43-44,46-47,66H,4-6,9,12-15,18,21-24,31-33,36,39-42,45,48-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-",YVHDVWPYHKLFHU,CIHWAZGPSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YVHDVWPYHKLFHU-CIHWAZGPSA-N
HMDB55844,1034.830241262,C69H110O6,[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-6,9,12-15,18,21-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-/t66-/m1/s1",BKQDLAWUVQPUJW,UDRRZJJGSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BKQDLAWUVQPUJW-UDRRZJJGSA-N
HMDB55845,976.882276835,C65H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,40,43,63H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,43-40-/t63-/m1/s1",XKMMFAYGJOQWOA,KCAPTOBDSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/o-18:0)",XKMMFAYGJOQWOA-KCAPTOBDSA-N
HMDB55846,1064.877191444,C71H116O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,36-37,39-40,45-46,48-49,68H,4-7,10,13-16,19,22-24,31-35,38,41-44,47,50-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-",XDBGXMWBBIZAEL,KYAODWJYSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",XDBGXMWBBIZAEL-KYAODWJYSA-N
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HMDB55848,1004.913576964,C67H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,42,45,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,45-42-/t65-/m1/s1",VSWOUZADGFWLMY,FEZVQRNQSA,N,"TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/o-18:0)",VSWOUZADGFWLMY-FEZVQRNQSA-N
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HMDB55898,892.788376449,C59H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,35,37,43,46,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-34,36,38-42,44-45,47-56H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-35-,46-43-/t57-/m1/s1",KETUIIAODCHPHD,SWBGOUPASA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/o-18:0)",KETUIIAODCHPHD-SWBGOUPASA-N
HMDB55900,920.819676578,C61H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,31-32,36,39,45,48,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,33-35,37-38,40-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,39-36-,48-45-/t59-/m1/s1",CWVBEJRVGOFURE,LMJDJSAZSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/o-18:0)",CWVBEJRVGOFURE-LMJDJSAZSA-N
HMDB55901,1006.798941124,C67H106O6,CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50-51,53-54,64H,4-6,9,12-15,18,21-24,27,30-32,35,38-40,43,46-49,52,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-,54-51-",XCNHPMVYZDTVIY,DCJLDSKWSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XCNHPMVYZDTVIY-DCJLDSKWSA-N
HMDB55902,948.850976706,C63H112O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,38,41,47,50,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-37,39-40,42-46,48-49,51-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,41-38-,50-47-/t61-/m1/s1",PEARNUYKYUAPTL,HADYNFRGSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0/o-18:0)",PEARNUYKYUAPTL-HADYNFRGSA-N
HMDB55903,1034.830241252,C69H110O6,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-6,9,12-15,18,21-24,27,30-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-",QPKWRIJQUPAWIR,QOPUKJDLSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QPKWRIJQUPAWIR-QOPUKJDLSA-N
HMDB55904,976.882276835,C65H116O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,40,43,49,52,63H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,43-40-,52-49-/t63-/m1/s1",WQVRAZBYZYISFK,LJERHDGMSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/o-18:0)",WQVRAZBYZYISFK-LJERHDGMSA-N
HMDB55905,1062.86154138,C71H114O6,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-7,10,13-16,19,22-25,28,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-",CSZBKOFMAKGCPS,ULYMTLAESA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CSZBKOFMAKGCPS-ULYMTLAESA-N
HMDB55906,1004.913576964,C67H120O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,42,45,51,54,65H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,20-17-,29-26-,37-35-,45-42-,54-51-/t65-/m1/s1",BVQVGYCKZANPEX,IGGWGBKZSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/o-18:0)",BVQVGYCKZANPEX-IGGWGBKZSA-N
HMDB55907,920.689390676,C61H92O6,CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-37,39-40,44-45,47-48,58H,4-6,9,12-14,21-23,28-29,34-35,38,41-43,46,49-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-,48-45-",BVZAEXLZSJMAEI,BGOGODFSSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BVZAEXLZSJMAEI-BGOGODFSSA-N
HMDB55908,862.741426256,C57H98O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,"InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,41,44,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-40,42-43,45-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-,44-41-/t55-/m1/s1",ALTVTSOMVDAYDH,VHCWOQIPSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/o-18:0)",ALTVTSOMVDAYDH-VHCWOQIPSA-N
HMDB55910,890.772726384,C59H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30-31,35,37,43,46,57H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,32-34,36,38-42,44-45,47-56H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,31-30-,37-35-,46-43-/t57-/m1/s1",CVQZJGILQWPKRW,PCOBVVDTSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/o-18:0)",CVQZJGILQWPKRW-PCOBVVDTSA-N
HMDB55911,976.751990932,C65H100O6,CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-6,9,12-15,18,22-23,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-",BTKJUGSNYRWBGG,RBLKAGLASA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BTKJUGSNYRWBGG-RBLKAGLASA-N
HMDB55912,918.804026513,C61H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,31-32,36,39,45,48,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33-35,37-38,40-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,32-31-,39-36-,48-45-/t59-/m1/s1",ZEIYYFJTSWMLTA,UJUKEXKMSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/o-18:0)",ZEIYYFJTSWMLTA-UJUKEXKMSA-N
HMDB55913,976.751990932,C65H100O6,CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-6,9,12-15,18,21-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49-",FMKKRMHWNRHGQT,JCGSDYFESA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FMKKRMHWNRHGQT-JCGSDYFESA-N
HMDB55914,918.804026513,C61H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-33,36,39,45,48,59H,4-6,8-9,11-15,17-18,20-24,26,29-30,34-35,37-38,40-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,33-27-,39-36-,48-45-/t59-/m1/s1",HWNMHVIHHCWXIY,ZNQHTEIUSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/o-18:0)",HWNMHVIHHCWXIY-ZNQHTEIUSA-N
HMDB55915,1004.78329106,C67H104O6,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,41-42,44-45,50-51,53-54,64H,4-6,9,12-15,18,21-24,31-32,35,38-40,43,46-49,52,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,53-50-,54-51-",QYVBDFATJFANLR,ZJCDQZFGSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QYVBDFATJFANLR-ZJCDQZFGSA-N
HMDB55916,946.835326642,C63H110O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,38,41,47,50,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-37,39-40,42-46,48-49,51-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,41-38-,50-47-/t61-/m1/s1",HAQBZHHHGBXHAT,UGVURHNQSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/o-18:0)",HAQBZHHHGBXHAT-UGVURHNQSA-N
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HMDB55918,942.804026513,C63H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,36,38-39,41,45,47-48,50,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35,37,40,42-44,46,49,51-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-,50-47-/t61-/m1/s1",FHTDYIDIOVTTCF,PYTKWOQPSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/o-18:0)",FHTDYIDIOVTTCF-PYTKWOQPSA-N
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HMDB55921,1060.845891316,C71H112O6,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C71H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-7,10,13-16,19,22-24,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-",USQBZXJHZRZHKU,FDANJWNTSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",USQBZXJHZRZHKU-FDANJWNTSA-N
HMDB55922,1002.8979269,C67H118O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C67H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,42,45,51,54,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,45-42-,54-51-/t65-/m1/s1",YHCWBSCEVPQUEJ,RCZJHBGBSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/o-18:0)",YHCWBSCEVPQUEJ-RCZJHBGBSA-N
HMDB55924,916.788376449,C61H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,36,39,45,48,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-35,37-38,40-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,48-45-/t59-/m1/s1",ZCSGINRLIDLQLG,MEWKQSQZSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/o-18:0)",ZCSGINRLIDLQLG-MEWKQSQZSA-N
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HMDB55926,914.772726384,C61H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,36,39-40,43,45,48,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-35,37-38,41-42,44,46-47,49-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,43-40-,48-45-/t59-/m1/s1",IMNZWSHUVOVWHS,QEKLDKNYSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/o-18:0)",IMNZWSHUVOVWHS-QEKLDKNYSA-N
HMDB55927,1002.767641004,C67H102O6,[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,41-42,44-45,50-51,53-54,64H,4-6,9,12-15,22-24,31-32,35,38-40,43,46-49,52,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,53-50-,54-51-",BGJSPRVCLCFONU,KQGCJGGQSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BGJSPRVCLCFONU-KQGCJGGQSA-N
HMDB55928,944.819676578,C63H108O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,38,41,47,50,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-37,39-40,42-46,48-49,51-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,41-38-,50-47-/t61-/m1/s1",GYVVNJNAXWYMSI,MUJLVZCHSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6/o-18:0)",GYVVNJNAXWYMSI-MUJLVZCHSA-N
HMDB55929,1000.751990932,C67H100O6,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,50-51,53-54,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-49,52,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-,54-51-",KOSXUHPKKRQMGR,LQJWLDRRSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KOSXUHPKKRQMGR-LQJWLDRRSA-N
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HMDB55946,938.772726384,C63H102O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C63H102O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34,36,38-39,41,45,47-48,50,61H,4-6,9,12-15,18,21-24,27,30-31,33,35,37,40,42-44,46,49,51-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-,50-47-/t61-/m1/s1",UQAQHCSDUNHUKS,TZZXVMCZSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)",UQAQHCSDUNHUKS-TZZXVMCZSA-N
HMDB55948,966.804026513,C65H106O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49,52,63H,4-6,9,12-15,18,21-24,27,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-/t63-/m1/s1",MEODBAFRLCEHNV,RTEQVISCSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)",MEODBAFRLCEHNV-RTEQVISCSA-N
HMDB55950,964.788376449,C65H104O5,[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49-50,52-53,63H,4-6,9,12-15,18,21-24,27,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-/t63-/m1/s1",NBCFODXTSOUUIN,SRSBRRAPSA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)",NBCFODXTSOUUIN-SRSBRRAPSA-N
HMDB55951,964.788376438,C65H104O5,CCCCCCCCCCCCCCCCCCOC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C65H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49-50,52-53,63H,4-6,9,12-15,18,21-24,27,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-",SLNZHQMWTFFEGB,CQZSHLFASA,N,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",SLNZHQMWTFFEGB-CQZSHLFASA-N
HMDB55952,512.44407503,C31H60O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-27-29(32)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3",JADYBWICRJWGBW,UHFFFAOYSA,N,DG(14:0/0:0/14:0),JADYBWICRJWGBW-UHFFFAOYSA-N
HMDB55953,526.459725094,C32H62O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-29-30(33)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h30,33H,3-29H2,1-2H3",QBQHXAHSQVJBAJ,UHFFFAOYSA,N,DG(14:0/0:0/15:0),QBQHXAHSQVJBAJ-UHFFFAOYSA-N
HMDB55954,540.475375158,C33H64O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3",MDJXLANKTSDJQI,UHFFFAOYSA,N,DG(14:0/0:0/16:0),MDJXLANKTSDJQI-UHFFFAOYSA-N
HMDB55955,568.506675286,C35H68O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3",CUNPTVLPBLDLDS,UHFFFAOYSA,N,DG(14:0/0:0/18:0),CUNPTVLPBLDLDS-UHFFFAOYSA-N
HMDB55956,596.537975414,C37H72O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3",CHCMVIYQYAURFF,UHFFFAOYSA,N,DG(14:0/0:0/20:0),CHCMVIYQYAURFF-UHFFFAOYSA-N
HMDB55957,624.569275542,C39H76O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3",UBFSTFBCOKPTDN,UHFFFAOYSA,N,DG(14:0/0:0/22:0),UBFSTFBCOKPTDN-UHFFFAOYSA-N
HMDB55958,652.60057567,C41H80O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC,"InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3",SANMXLBJCOQPDA,UHFFFAOYSA,N,DG(14:0/0:0/24:0),SANMXLBJCOQPDA-UHFFFAOYSA-N
HMDB55959,510.428424966,C31H58O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C31H58O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-27-29(32)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,29,32H,3-16,18,20-28H2,1-2H3",BTMQZPSXHCHNPR,UHFFFAOYSA,N,DG(14:0/0:0/14:1n5),BTMQZPSXHCHNPR-UHFFFAOYSA-N
HMDB55960,538.459725094,C33H62O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C33H62O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h16,18,31,34H,3-15,17,19-30H2,1-2H3",IURSQZZYJNYILA,UHFFFAOYSA,N,DG(14:0/0:0/16:1n7),IURSQZZYJNYILA-UHFFFAOYSA-N
HMDB55961,566.491025222,C35H66O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h13,15,33,36H,3-12,14,16-32H2,1-2H3/b15-13-",HOLHLECQGLHJBO,SQFISAMPSA,N,DG(14:0/0:0/18:1n7),HOLHLECQGLHJBO-SQFISAMPSA-N
HMDB55962,566.491025222,C35H66O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,33,36H,3-15,18-32H2,1-2H3/b17-16-",DPKKTCYRXHCYKZ,MSUUIHNZSA,N,DG(14:0/0:0/18:1n9),DPKKTCYRXHCYKZ-MSUUIHNZSA-N
HMDB55963,594.52232535,C37H70O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,35,38H,3-15,18-34H2,1-2H3/b17-16-",FGYNKECBZOBIDG,MSUUIHNZSA,N,DG(14:0/0:0/20:1n9),FGYNKECBZOBIDG-MSUUIHNZSA-N
HMDB55964,590.491025222,C37H66O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,19-20,24,26,35,38H,3-15,18,21-23,25,27-34H2,1-2H3/b17-16-,20-19-,26-24-",ODVRLPAZNXVINR,KUNZCKISSA,N,DG(14:0/0:0/20:3n9),ODVRLPAZNXVINR-KUNZCKISSA-N
HMDB55965,622.553625478,C39H74O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h16-17,37,40H,3-15,18-36H2,1-2H3/b17-16-",BQZJTVBJOHKLAE,MSUUIHNZSA,N,DG(14:0/0:0/22:1n9),BQZJTVBJOHKLAE-MSUUIHNZSA-N
HMDB55966,650.584925606,C41H78O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17,39,42H,3-15,18-38H2,1-2H3/b17-16-",ZZAUVJKNMQIINC,MSUUIHNZSA,N,DG(14:0/0:0/24:1n9),ZZAUVJKNMQIINC-MSUUIHNZSA-N
HMDB55967,578.491025222,C36H66O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C36H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-14-12-10-8-6-4-2/h13,15,17-18,34,37H,3-12,14,16,19-33H2,1-2H3/b15-13-,18-17-",WMLLWQXZYRMNQF,SAYPXFITSA,N,DG(14:0/0:0/18:2n6),WMLLWQXZYRMNQF-SAYPXFITSA-N
HMDB55968,562.459725094,C35H62O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,20,22,33,36H,3-10,12,14-15,18-19,21,23-32H2,1-2H3/b13-11-,17-16-,22-20-",ZCKHYLCBZYBVEM,QWMPPWBLSA,N,DG(14:0/0:0/18:3n6),ZCKHYLCBZYBVEM-QWMPPWBLSA-N
HMDB55969,578.491025222,C36H66O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C36H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-14-12-10-8-6-4-2/h9,11,15-16,34,37H,3-8,10,12-14,17-33H2,1-2H3/b11-9-,16-15-",AXNQPCULXZEFJO,XGXQHEPRSA,N,DG(14:0/0:0/20:2n6),AXNQPCULXZEFJO-XGXQHEPRSA-N
HMDB55970,590.491025222,C37H66O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,35,38H,3-10,12,14-15,18,21-34H2,1-2H3/b13-11-,17-16-,20-19-",UETLCEGLKUNBHB,NKTIKPMXSA,N,DG(14:0/0:0/20:3n6),UETLCEGLKUNBHB-NKTIKPMXSA-N
HMDB55971,588.475375158,C37H64O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,24,26,35,38H,3-10,12,14-15,18,21-23,25,27-34H2,1-2H3/b13-11-,17-16-,20-19-,26-24-",JIURWVHBFVDYBH,WNMCIRLGSA,N,DG(14:0/0:0/20:4n6),JIURWVHBFVDYBH-WNMCIRLGSA-N
HMDB55972,620.537975414,C39H72O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,37,40H,3-10,12,14-15,18-36H2,1-2H3/b13-11-,17-16-",DCAPVULDXUPNFE,BIXSNLIQSA,N,DG(14:0/0:0/22:2n6),DCAPVULDXUPNFE-BIXSNLIQSA-N
HMDB55973,616.506675286,C39H68O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,37,40H,3-10,12,14-15,18,21,23,25-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-",ZGDJMPDRGCXAAA,XZPUNJMMSA,N,DG(14:0/0:0/22:4n6),ZGDJMPDRGCXAAA-XZPUNJMMSA-N
HMDB55974,614.491025222,C39H66O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,28,30,37,40H,3-10,12,14-15,18,21,23,25-27,29,31-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-,30-28-",TUHWKCBRUXQIHQ,LXPZKBTJSA,N,DG(14:0/0:0/22:5n6),TUHWKCBRUXQIHQ-LXPZKBTJSA-N
HMDB55975,562.459725094,C35H62O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,33,36H,3-4,6,8-10,12,14-15,18-32H2,1-2H3/b7-5-,13-11-,17-16-",BVGIGCTXPLJBPU,YYPVPKODSA,N,DG(14:0/0:0/18:3n3),BVGIGCTXPLJBPU-YYPVPKODSA-N
HMDB55976,560.44407503,C35H60O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20,22,33,36H,3-4,6,8-10,12,14-15,18-19,21,23-32H2,1-2H3/b7-5-,13-11-,17-16-,22-20-",XZHKCTQNGKKTBK,RMLPRZROSA,N,DG(14:0/0:0/18:4n3),XZHKCTQNGKKTBK-RMLPRZROSA-N
HMDB55977,588.475375158,C37H64O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,35,38H,3-4,6,8-10,12,14-15,18,21-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-",WLMAJIZBTUHGQH,WNXRHBFNSA,N,DG(14:0/0:0/20:4n3),WLMAJIZBTUHGQH-WNXRHBFNSA-N
HMDB55978,586.459725094,C37H62O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,24,26,35,38H,3-4,6,8-10,12,14-15,18,21-23,25,27-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,26-24-",MOLFKNFPDDEALJ,NMJJPLBZSA,N,DG(14:0/0:0/20:5n3),MOLFKNFPDDEALJ-NMJJPLBZSA-N
HMDB55979,614.491025222,C39H66O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-",YEUGSVVCGREBDT,RMKSIFPTSA,N,DG(14:0/0:0/22:5n3),YEUGSVVCGREBDT-RMKSIFPTSA-N
HMDB55980,612.475375158,C39H64O5,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,28,30,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-27,29,31-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,30-28-",DNGFLPFNXOMGJW,PAHVTNPFSA,N,DG(14:0/0:0/22:6n3),DNGFLPFNXOMGJW-PAHVTNPFSA-N
HMDB55981,540.475375158,C33H64O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-29-31(34)30-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3",HZEBMMLXOCVJNI,UHFFFAOYSA,N,DG(15:0/0:0/15:0),HZEBMMLXOCVJNI-UHFFFAOYSA-N
HMDB55982,554.491025222,C34H66O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3",LXYIVDPMVSFSBA,UHFFFAOYSA,N,DG(15:0/0:0/16:0),LXYIVDPMVSFSBA-UHFFFAOYSA-N
HMDB55983,582.52232535,C36H70O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3",LUQKIZTUDZZQSK,UHFFFAOYSA,N,DG(15:0/0:0/18:0),LUQKIZTUDZZQSK-UHFFFAOYSA-N
HMDB55984,610.553625478,C38H74O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3",AFAJCLFXJMJOQV,UHFFFAOYSA,N,DG(15:0/0:0/20:0),AFAJCLFXJMJOQV-UHFFFAOYSA-N
HMDB55985,638.584925606,C40H78O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h38,41H,3-37H2,1-2H3",MKJFHWFARLRAIK,UHFFFAOYSA,N,DG(15:0/0:0/22:0),MKJFHWFARLRAIK-UHFFFAOYSA-N
HMDB55986,666.616225734,C42H82O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC,"InChI=1S/C42H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h40,43H,3-39H2,1-2H3",NFWLRAJUZSTKQF,UHFFFAOYSA,N,DG(15:0/0:0/24:0),NFWLRAJUZSTKQF-UHFFFAOYSA-N
HMDB55987,524.44407503,C32H60O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C32H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-29-30(33)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,30,33H,3-17,19,21-29H2,1-2H3",DESUVRHQMMZLDU,UHFFFAOYSA,N,DG(15:0/0:0/14:1n5),DESUVRHQMMZLDU-UHFFFAOYSA-N
HMDB55988,552.475375158,C34H64O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C34H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,32,35H,3-16,18,20-31H2,1-2H3",XHXRBNJRHQBMQZ,UHFFFAOYSA,N,DG(15:0/0:0/16:1n7),XHXRBNJRHQBMQZ-UHFFFAOYSA-N
HMDB55989,580.506675286,C36H68O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,34,37H,3-12,14,16-33H2,1-2H3/b15-13-",WXJFYUOHPCMUHM,SQFISAMPSA,N,DG(15:0/0:0/18:1n7),WXJFYUOHPCMUHM-SQFISAMPSA-N
HMDB55990,580.506675286,C36H68O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,34,37H,3-16,19-33H2,1-2H3/b18-17-",QWMNRTWVOHJVAA,ZCXUNETKSA,N,DG(15:0/0:0/18:1n9),QWMNRTWVOHJVAA-ZCXUNETKSA-N
HMDB55991,608.537975414,C38H72O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C38H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,36,39H,3-16,19-35H2,1-2H3/b18-17-",PFSLVGXFPBYJPP,ZCXUNETKSA,N,DG(15:0/0:0/20:1n9),PFSLVGXFPBYJPP-ZCXUNETKSA-N
HMDB55992,604.506675286,C38H68O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,20-21,25,27,36,39H,3-16,19,22-24,26,28-35H2,1-2H3/b18-17-,21-20-,27-25-",UZWSOQJDCMMJRF,TZMHWIBQSA,N,DG(15:0/0:0/20:3n9),UZWSOQJDCMMJRF-TZMHWIBQSA-N
HMDB55993,636.569275542,C40H76O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C40H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h17-18,38,41H,3-16,19-37H2,1-2H3/b18-17-",IJNXMUNEUXHBHX,ZCXUNETKSA,N,DG(15:0/0:0/22:1n9),IJNXMUNEUXHBHX-ZCXUNETKSA-N
HMDB55994,664.60057567,C42H80O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C42H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,40,43H,3-16,19-39H2,1-2H3/b18-17-",GRMKFHYFXPQCNB,ZCXUNETKSA,N,DG(15:0/0:0/24:1n9),GRMKFHYFXPQCNB-ZCXUNETKSA-N
HMDB55995,592.506675286,C37H68O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13,15,18-19,35,38H,3-12,14,16-17,20-34H2,1-2H3/b15-13-,19-18-",NUDLSXZWZABBEQ,WITMPDRSSA,N,DG(15:0/0:0/18:2n6),NUDLSXZWZABBEQ-WITMPDRSSA-N
HMDB55996,576.475375158,C36H64O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,34,37H,3-10,12,14-16,19-20,22,24-33H2,1-2H3/b13-11-,18-17-,23-21-",FQCRHNBOZNQVTF,XGCHJJRISA,N,DG(15:0/0:0/18:3n6),FQCRHNBOZNQVTF-XGCHJJRISA-N
HMDB55997,592.506675286,C37H68O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h9,11,15,17,35,38H,3-8,10,12-14,16,18-34H2,1-2H3/b11-9-,17-15-",KDVNVMUTWFEHRH,XINOORGGSA,N,DG(15:0/0:0/20:2n6),KDVNVMUTWFEHRH-XINOORGGSA-N
HMDB55998,604.506675286,C38H68O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,36,39H,3-10,12,14-16,19,22-35H2,1-2H3/b13-11-,18-17-,21-20-",HAHPSQNOHUKOPR,XBYKRHKVSA,N,DG(15:0/0:0/20:3n6),HAHPSQNOHUKOPR-XBYKRHKVSA-N
HMDB55999,602.491025222,C38H66O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C38H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,25,27,36,39H,3-10,12,14-16,19,22-24,26,28-35H2,1-2H3/b13-11-,18-17-,21-20-,27-25-",WCBBRFABJPIILA,BGKPXYFZSA,N,DG(15:0/0:0/20:4n6),WCBBRFABJPIILA-BGKPXYFZSA-N
HMDB56000,634.553625478,C40H74O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,38,41H,3-10,12,14-16,19-37H2,1-2H3/b13-11-,18-17-",OANBMVGSTABBDG,BCTRXSSUSA,N,DG(15:0/0:0/22:2n6),OANBMVGSTABBDG-BCTRXSSUSA-N
HMDB56001,630.52232535,C40H70O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C40H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,38,41H,3-10,12,14-16,19,22,24,26-37H2,1-2H3/b13-11-,18-17-,21-20-,25-23-",STRUUATTYLACDE,WEBULQPTSA,N,DG(15:0/0:0/22:4n6),STRUUATTYLACDE-WEBULQPTSA-N
HMDB56002,628.506675286,C40H68O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,29,31,38,41H,3-10,12,14-16,19,22,24,26-28,30,32-37H2,1-2H3/b13-11-,18-17-,21-20-,25-23-,31-29-",HKYDBZXJJSUXOG,KQRRPGPSSA,N,DG(15:0/0:0/22:5n6),HKYDBZXJJSUXOG-KQRRPGPSSA-N
HMDB56003,576.475375158,C36H64O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,34,37H,3-4,6,8-10,12,14-16,19-33H2,1-2H3/b7-5-,13-11-,18-17-",MOLPXIMBUIMHJX,SVNQLWEDSA,N,DG(15:0/0:0/18:3n3),MOLPXIMBUIMHJX-SVNQLWEDSA-N
HMDB56004,574.459725094,C36H62O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C36H62O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,34,37H,3-4,6,8-10,12,14-16,19-20,22,24-33H2,1-2H3/b7-5-,13-11-,18-17-,23-21-",KBJNLOFREYBAHR,OBOKPCTLSA,N,DG(15:0/0:0/18:4n3),KBJNLOFREYBAHR-OBOKPCTLSA-N
HMDB56005,602.491025222,C38H66O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C38H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,36,39H,3-4,6,8-10,12,14-16,19,22-35H2,1-2H3/b7-5-,13-11-,18-17-,21-20-",HTJVBUMYJLBHJY,BHYOAKPMSA,N,DG(15:0/0:0/20:4n3),HTJVBUMYJLBHJY-BHYOAKPMSA-N
HMDB56006,600.475375158,C38H64O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C38H64O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,25,27,36,39H,3-4,6,8-10,12,14-16,19,22-24,26,28-35H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,27-25-",XZLBYGIFOSFHCP,PARIFVSLSA,N,DG(15:0/0:0/20:5n3),XZLBYGIFOSFHCP-PARIFVSLSA-N
HMDB56007,628.506675286,C40H68O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-",ZCAADZAYZRPVKP,WHQAFXCMSA,N,DG(15:0/0:0/22:5n3),ZCAADZAYZRPVKP-WHQAFXCMSA-N
HMDB56008,626.491025222,C40H66O5,CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C40H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-",VCDZPRCIYVFURX,JTURFRPLSA,N,DG(15:0/0:0/22:6n3),VCDZPRCIYVFURX-JTURFRPLSA-N
HMDB56009,568.506675286,C35H68O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3",GFAZGHREJPXDMH,UHFFFAOYSA,N,DG(16:0/0:0/16:0),GFAZGHREJPXDMH-UHFFFAOYSA-N
HMDB56010,596.537975414,C37H72O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3",BFTGWUUHOMAGPO,UHFFFAOYSA,N,DG(16:0/0:0/18:0),BFTGWUUHOMAGPO-UHFFFAOYSA-N
HMDB56011,624.569275542,C39H76O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3",DCAFLRBKCCJDQU,UHFFFAOYSA,N,DG(16:0/0:0/20:0),DCAFLRBKCCJDQU-UHFFFAOYSA-N
HMDB56012,652.60057567,C41H80O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3",OIGRALPXWNVVBY,UHFFFAOYSA,N,DG(16:0/0:0/22:0),OIGRALPXWNVVBY-UHFFFAOYSA-N
HMDB56013,680.631875798,C43H84O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3",FDYFMUPXONFPMK,UHFFFAOYSA,N,DG(16:0/0:0/24:0),FDYFMUPXONFPMK-UHFFFAOYSA-N
HMDB56014,538.459725094,C33H62O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C33H62O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h19,21,31,34H,3-18,20,22-30H2,1-2H3",BYXNIPSSYROSJE,UHFFFAOYSA,N,DG(16:0/0:0/14:1n5),BYXNIPSSYROSJE-UHFFFAOYSA-N
HMDB56015,566.491025222,C35H66O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,33,36H,3-16,18,20-32H2,1-2H3",GDBBHUCNLZBTBE,UHFFFAOYSA,N,DG(16:0/0:0/16:1n7),GDBBHUCNLZBTBE-UHFFFAOYSA-N
HMDB56016,594.52232535,C37H70O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35,38H,3-12,14,16-34H2,1-2H3/b15-13-",DZTYYTKHLOWQNN,SQFISAMPSA,N,DG(16:0/0:0/18:1n7),DZTYYTKHLOWQNN-SQFISAMPSA-N
HMDB56017,594.52232535,C37H70O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-",NBBXPULYBQASLG,ZCXUNETKSA,N,DG(16:0/0:0/18:1n9),NBBXPULYBQASLG-ZCXUNETKSA-N
HMDB56018,622.553625478,C39H74O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,37,40H,3-16,19-36H2,1-2H3/b18-17-",UYUVZPTTWLXMJG,ZCXUNETKSA,N,DG(16:0/0:0/20:1n9),UYUVZPTTWLXMJG-ZCXUNETKSA-N
HMDB56019,618.52232535,C39H70O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,26,28,37,40H,3-16,19,21,23-25,27,29-36H2,1-2H3/b18-17-,22-20-,28-26-",AYXSHZBJBYSSJT,PJSYQGMUSA,N,DG(16:0/0:0/20:3n9),AYXSHZBJBYSSJT-PJSYQGMUSA-N
HMDB56020,650.584925606,C41H78O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,39,42H,3-16,19-38H2,1-2H3/b18-17-",SZVFATKPLPDKNP,ZCXUNETKSA,N,DG(16:0/0:0/22:1n9),SZVFATKPLPDKNP-ZCXUNETKSA-N
HMDB56021,678.616225734,C43H82O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,41,44H,3-16,19-40H2,1-2H3/b18-17-",XZDNVAJTVOGEPR,ZCXUNETKSA,N,DG(16:0/0:0/24:1n9),XZDNVAJTVOGEPR-ZCXUNETKSA-N
HMDB56022,606.52232535,C38H70O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C38H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,18-19,36,39H,3-12,14,16-17,20-35H2,1-2H3/b15-13-,19-18-",SYTLTRZEHNVTSX,WITMPDRSSA,N,DG(16:0/0:0/18:2n6),SYTLTRZEHNVTSX-WITMPDRSSA-N
HMDB56023,590.491025222,C37H66O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,35,38H,3-10,12,14-16,19-21,23,25-34H2,1-2H3/b13-11-,18-17-,24-22-",SFMJHWFZJBATQB,DLIIMJOCSA,N,DG(16:0/0:0/18:3n6),SFMJHWFZJBATQB-DLIIMJOCSA-N
HMDB56024,606.52232535,C38H70O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C38H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h9,11,15,17,36,39H,3-8,10,12-14,16,18-35H2,1-2H3/b11-9-,17-15-",XNLUFERAJHBDRA,XINOORGGSA,N,DG(16:0/0:0/20:2n6),XNLUFERAJHBDRA-XINOORGGSA-N
HMDB56025,618.52232535,C39H70O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,37,40H,3-10,12,14-16,19,21,23-36H2,1-2H3/b13-11-,18-17-,22-20-",BEWVSCYSBIHRBV,DRGLHURPSA,N,DG(16:0/0:0/20:3n6),BEWVSCYSBIHRBV-DRGLHURPSA-N
HMDB56026,616.506675286,C39H68O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,37,40H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3/b13-11-,18-17-,22-20-,28-26-",BCKBAXTXCDOLQZ,BMPTZMRASA,N,DG(16:0/0:0/20:4n6),BCKBAXTXCDOLQZ-BMPTZMRASA-N
HMDB56027,648.569275542,C41H76O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42H,3-10,12,14-16,19-38H2,1-2H3/b13-11-,18-17-",ZBRJOYLFTOCUAC,BCTRXSSUSA,N,DG(16:0/0:0/22:2n6),ZBRJOYLFTOCUAC-BCTRXSSUSA-N
HMDB56028,644.537975414,C41H72O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,39,42H,3-10,12,14-16,19,22-23,25,27-38H2,1-2H3/b13-11-,18-17-,21-20-,26-24-",SRMSUOYLQWZALL,KXGNKILUSA,N,DG(16:0/0:0/22:4n6),SRMSUOYLQWZALL-KXGNKILUSA-N
HMDB56029,642.52232535,C41H70O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,39,42H,3-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3/b13-11-,18-17-,21-20-,26-24-,32-30-",FHQOJOVHBZOBCL,XONGEEKRSA,N,DG(16:0/0:0/22:5n6),FHQOJOVHBZOBCL-XONGEEKRSA-N
HMDB56030,590.491025222,C37H66O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38H,3-4,6,8-10,12,14-16,19-34H2,1-2H3/b7-5-,13-11-,18-17-",MYAYLXFSVQLRHH,SVNQLWEDSA,N,DG(16:0/0:0/18:3n3),MYAYLXFSVQLRHH-SVNQLWEDSA-N
HMDB56031,588.475375158,C37H64O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,22,24,35,38H,3-4,6,8-10,12,14-16,19-21,23,25-34H2,1-2H3/b7-5-,13-11-,18-17-,24-22-",PDKYQAJNXSTAOZ,NMZZQFTHSA,N,DG(16:0/0:0/18:4n3),PDKYQAJNXSTAOZ-NMZZQFTHSA-N
HMDB56032,616.506675286,C39H68O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,37,40H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-",XVSGNXQBKKHXLH,JAXHXWBXSA,N,DG(16:0/0:0/20:4n3),XVSGNXQBKKHXLH-JAXHXWBXSA-N
HMDB56033,614.491025222,C39H66O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,37,40H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-,28-26-",OSXMEYNKEVXBGM,LPHKCNJWSA,N,DG(16:0/0:0/20:5n3),OSXMEYNKEVXBGM-LPHKCNJWSA-N
HMDB56034,642.52232535,C41H70O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,39,42H,3-4,6,8-10,12,14-16,19,22-23,25,27-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,26-24-",BRATZCHBZQWFPF,SFVLIGPRSA,N,DG(16:0/0:0/22:5n3),BRATZCHBZQWFPF-SFVLIGPRSA-N
HMDB56035,640.506675286,C41H68O5,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,39,42H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-",HVRYBCIMHSEQGI,LGFBOSHVSA,N,DG(16:0/0:0/22:6n3),HVRYBCIMHSEQGI-LGFBOSHVSA-N
HMDB56036,624.569275542,C39H76O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3",IZHVBANLECCAGF,UHFFFAOYSA,N,DG(18:0/0:0/18:0),IZHVBANLECCAGF-UHFFFAOYSA-N
HMDB56037,652.60057567,C41H80O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3",GKOMBHWDOZXRFD,UHFFFAOYSA,N,DG(18:0/0:0/20:0),GKOMBHWDOZXRFD-UHFFFAOYSA-N
HMDB56038,680.631875798,C43H84O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3",FCWGFTAUZVCLAK,UHFFFAOYSA,N,DG(18:0/0:0/22:0),FCWGFTAUZVCLAK-UHFFFAOYSA-N
HMDB56039,708.663175926,C45H88O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3",SDNZSRFQLZDKSH,UHFFFAOYSA,N,DG(18:0/0:0/24:0),SDNZSRFQLZDKSH-UHFFFAOYSA-N
HMDB56040,566.491025222,C35H66O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h21,23,33,36H,3-20,22,24-32H2,1-2H3",CDFZYIZFRNOOQS,UHFFFAOYSA,N,DG(18:0/0:0/14:1n5),CDFZYIZFRNOOQS-UHFFFAOYSA-N
HMDB56041,594.52232535,C37H70O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h19,21,35,38H,3-18,20,22-34H2,1-2H3",QTYZHLDAJZOIGE,UHFFFAOYSA,N,DG(18:0/0:0/16:1n7),QTYZHLDAJZOIGE-UHFFFAOYSA-N
HMDB56042,622.553625478,C39H74O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,37,40H,3-12,14,16-36H2,1-2H3/b15-13-",UPKDHVOMALJHAR,SQFISAMPSA,N,DG(18:0/0:0/18:1n7),UPKDHVOMALJHAR-SQFISAMPSA-N
HMDB56043,622.553625478,C39H74O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,37,40H,3-16,18,20-36H2,1-2H3/b19-17-",IIPIJHXZZCPSGV,ZPHPHTNESA,N,DG(18:0/0:0/18:1n9),IIPIJHXZZCPSGV-ZPHPHTNESA-N
HMDB56044,650.584925606,C41H78O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,39,42H,3-16,18,20-38H2,1-2H3/b19-17-",LNMXGFWWPJWHEB,ZPHPHTNESA,N,DG(18:0/0:0/20:1n9),LNMXGFWWPJWHEB-ZPHPHTNESA-N
HMDB56045,646.553625478,C41H74O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,39,42H,3-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b19-17-,24-22-,30-28-",XCJPZSSNYBENDQ,XRGVZJICSA,N,DG(18:0/0:0/20:3n9),XCJPZSSNYBENDQ-XRGVZJICSA-N
HMDB56046,678.616225734,C43H82O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,41,44H,3-16,18,20-40H2,1-2H3/b19-17-",DORNLHPHJYAXDS,ZPHPHTNESA,N,DG(18:0/0:0/22:1n9),DORNLHPHJYAXDS-ZPHPHTNESA-N
HMDB56047,706.647525862,C45H86O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,43,46H,3-16,18,20-42H2,1-2H3/b19-17-",RODDDKOXAWSHLQ,ZPHPHTNESA,N,DG(18:0/0:0/24:1n9),RODDDKOXAWSHLQ-ZPHPHTNESA-N
HMDB56048,634.553625478,C40H74O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,19,21,38,41H,3-12,14,16-18,20,22-37H2,1-2H3/b15-13-,21-19-",QTHIFWAMNZHBFZ,RYKNKZFFSA,N,DG(18:0/0:0/18:2n6),QTHIFWAMNZHBFZ-RYKNKZFFSA-N
HMDB56049,618.52232535,C39H70O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,37,40H,3-10,12,14-16,18,20-22,24,26-36H2,1-2H3/b13-11-,19-17-,25-23-",OBDHSLQHKRLTCN,OMSOWKJYSA,N,DG(18:0/0:0/18:3n6),OBDHSLQHKRLTCN-OMSOWKJYSA-N
HMDB56050,634.553625478,C40H74O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17,38,41H,3-8,10,12-14,16,18-37H2,1-2H3/b11-9-,17-15-",KNOPGQSNGVMTCK,XINOORGGSA,N,DG(18:0/0:0/20:2n6),KNOPGQSNGVMTCK-XINOORGGSA-N
HMDB56051,646.553625478,C41H74O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,39,42H,3-10,12,14-16,18,20-21,23,25-38H2,1-2H3/b13-11-,19-17-,24-22-",YNXSZFJTQAXTIZ,PXASKIPJSA,N,DG(18:0/0:0/20:3n6),YNXSZFJTQAXTIZ-PXASKIPJSA-N
HMDB56052,644.537975414,C41H72O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,24-22-,30-28-",AMRUKLMZDPPJNU,LGHBDAFPSA,N,DG(18:0/0:0/20:4n6),AMRUKLMZDPPJNU-LGHBDAFPSA-N
HMDB56053,676.60057567,C43H80O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,41,44H,3-10,12,14-16,18,20-40H2,1-2H3/b13-11-,19-17-",FRWWWOLQOWSIRN,OHNCOSGTSA,N,DG(18:0/0:0/22:2n6),FRWWWOLQOWSIRN-OHNCOSGTSA-N
HMDB56054,672.569275542,C43H76O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,41,44H,3-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3/b13-11-,19-17-,22-21-,28-26-",JRKGQUYRBFHUEH,DCSOTDLTSA,N,DG(18:0/0:0/22:4n6),JRKGQUYRBFHUEH-DCSOTDLTSA-N
HMDB56055,670.553625478,C43H74O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,41,44H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b13-11-,19-17-,22-21-,28-26-,34-32-",XIZKIPQKOHUAHX,WZARRQHISA,N,DG(18:0/0:0/22:5n6),XIZKIPQKOHUAHX-WZARRQHISA-N
HMDB56056,618.52232535,C39H70O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,37,40H,3-4,6,8-10,12,14-16,18,20-36H2,1-2H3/b7-5-,13-11-,19-17-",WNMQAZLZUHWUOV,JTBMWNAQSA,N,DG(18:0/0:0/18:3n3),WNMQAZLZUHWUOV-JTBMWNAQSA-N
HMDB56057,616.506675286,C39H68O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,37,40H,3-4,6,8-10,12,14-16,18,20-22,24,26-36H2,1-2H3/b7-5-,13-11-,19-17-,25-23-",BBTADUYRDAXADP,PEDPXMNESA,N,DG(18:0/0:0/18:4n3),BBTADUYRDAXADP-PEDPXMNESA-N
HMDB56058,644.537975414,C41H72O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,39,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-38H2,1-2H3/b7-5-,13-11-,19-17-,24-22-",IOTUOILMFZVYMU,ZKVKLVECSA,N,DG(18:0/0:0/20:4n3),IOTUOILMFZVYMU-ZKVKLVECSA-N
HMDB56059,642.52232535,C41H70O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,39,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,30-28-",XHLIPRBEIKPFTF,GLWDABGQSA,N,DG(18:0/0:0/20:5n3),XHLIPRBEIKPFTF-GLWDABGQSA-N
HMDB56060,670.553625478,C43H74O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,41,44H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,28-26-",DRUQEDUMAQZVOU,NIZIMQIGSA,N,DG(18:0/0:0/22:5n3),DRUQEDUMAQZVOU-NIZIMQIGSA-N
HMDB56061,668.537975414,C43H72O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41,44H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-",RRALAGZOUWRTFP,HSBBONCLSA,N,DG(18:0/0:0/22:6n3),RRALAGZOUWRTFP-HSBBONCLSA-N
HMDB56062,680.631875798,C43H84O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3",VFEKBHKRXKVKGN,UHFFFAOYSA,N,DG(20:0/0:0/20:0),VFEKBHKRXKVKGN-UHFFFAOYSA-N
HMDB56063,708.663175926,C45H88O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3",ITKPHNFJAMQBFT,UHFFFAOYSA,N,DG(20:0/0:0/22:0),ITKPHNFJAMQBFT-UHFFFAOYSA-N
HMDB56064,736.694476054,C47H92O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3",XFIQQMQVNCGERN,UHFFFAOYSA,N,DG(20:0/0:0/24:0),XFIQQMQVNCGERN-UHFFFAOYSA-N
HMDB56065,594.52232535,C37H70O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h23,25,35,38H,3-22,24,26-34H2,1-2H3",DNCBXRHMNGJFBC,UHFFFAOYSA,N,DG(20:0/0:0/14:1n5),DNCBXRHMNGJFBC-UHFFFAOYSA-N
HMDB56066,622.553625478,C39H74O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h21,23,37,40H,3-20,22,24-36H2,1-2H3",LDFSKQUVJROTKH,UHFFFAOYSA,N,DG(20:0/0:0/16:1n7),LDFSKQUVJROTKH-UHFFFAOYSA-N
HMDB56067,650.584925606,C41H78O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,39,42H,3-13,15,17-38H2,1-2H3/b16-14-",JJWWTFDLXPWAHV,PEZBUJJGSA,N,DG(20:0/0:0/18:1n7),JJWWTFDLXPWAHV-PEZBUJJGSA-N
HMDB56068,650.584925606,C41H78O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h18,21,39,42H,3-17,19-20,22-38H2,1-2H3/b21-18-",CPMUKIVRNRJKFG,UZYVYHOESA,N,DG(20:0/0:0/18:1n9),CPMUKIVRNRJKFG-UZYVYHOESA-N
HMDB56069,678.616225734,C43H82O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,41,44H,3-16,18,20-40H2,1-2H3/b19-17-",OWKARTCSURHSGL,ZPHPHTNESA,N,DG(20:0/0:0/20:1n9),OWKARTCSURHSGL-ZPHPHTNESA-N
HMDB56070,674.584925606,C43H78O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,23,25,29,31,41,44H,3-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b19-17-,25-23-,31-29-",BOJKJGRETHMCPR,BYRYTGEZSA,N,DG(20:0/0:0/20:3n9),BOJKJGRETHMCPR-BYRYTGEZSA-N
HMDB56071,706.647525862,C45H86O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,43,46H,3-16,18,20-42H2,1-2H3/b19-17-",MFUXDPYGOUNHPY,ZPHPHTNESA,N,DG(20:0/0:0/22:1n9),MFUXDPYGOUNHPY-ZPHPHTNESA-N
HMDB56072,734.67882599,C47H90O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19,45,48H,3-16,18,20-44H2,1-2H3/b19-17-",JFJNFLDNIDUSFL,ZPHPHTNESA,N,DG(20:0/0:0/24:1n9),JFJNFLDNIDUSFL-ZPHPHTNESA-N
HMDB56073,662.584925606,C42H78O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C42H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,20,22,40,43H,3-13,15,17-19,21,23-39H2,1-2H3/b16-14-,22-20-",GVOUGKVDENLIJG,DYMXKLMASA,N,DG(20:0/0:0/18:2n6),GVOUGKVDENLIJG-DYMXKLMASA-N
HMDB56074,646.553625478,C41H74O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,25,27,39,42H,3-11,13,15-17,19-20,22-24,26,28-38H2,1-2H3/b14-12-,21-18-,27-25-",YUDQPNYQWIOVKA,RMBFIQFTSA,N,DG(20:0/0:0/18:3n6),YUDQPNYQWIOVKA-RMBFIQFTSA-N
HMDB56075,662.584925606,C42H78O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C42H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,16,18,40,43H,3-9,11,13-15,17,19-39H2,1-2H3/b12-10-,18-16-",UZWKZAMUXXFBJL,XOMYGGGSSA,N,DG(20:0/0:0/20:2n6),UZWKZAMUXXFBJL-XOMYGGGSSA-N
HMDB56076,674.584925606,C43H78O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,41,44H,3-10,12,14-16,18,20-22,24,26-40H2,1-2H3/b13-11-,19-17-,25-23-",NWVFCVUOSPYEIU,OMSOWKJYSA,N,DG(20:0/0:0/20:3n6),NWVFCVUOSPYEIU-OMSOWKJYSA-N
HMDB56077,672.569275542,C43H76O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,41,44H,3-10,12,14-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b13-11-,19-17-,25-23-,31-29-",WCUOBONYCLCPCK,GLCRACHLSA,N,DG(20:0/0:0/20:4n6),WCUOBONYCLCPCK-GLCRACHLSA-N
HMDB56078,704.631875798,C45H84O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,43,46H,3-10,12,14-16,18,20-42H2,1-2H3/b13-11-,19-17-",AOYGWPQXKKMORX,OHNCOSGTSA,N,DG(20:0/0:0/22:2n6),AOYGWPQXKKMORX-OHNCOSGTSA-N
HMDB56079,700.60057567,C45H80O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,43,46H,3-10,12,14-16,18,20-21,23,25-27,29,31-42H2,1-2H3/b13-11-,19-17-,24-22-,30-28-",ITWOXRLLEJXYPG,LGHBDAFPSA,N,DG(20:0/0:0/22:4n6),ITWOXRLLEJXYPG-LGHBDAFPSA-N
HMDB56080,698.584925606,C45H78O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,34,36,43,46H,3-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-42H2,1-2H3/b13-11-,19-17-,24-22-,30-28-,36-34-",CAPPUPPTEJPWCF,QJEXVYOFSA,N,DG(20:0/0:0/22:5n6),CAPPUPPTEJPWCF-QJEXVYOFSA-N
HMDB56081,646.553625478,C41H74O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,39,42H,3-5,7,9-11,13,15-17,19-20,22-38H2,1-2H3/b8-6-,14-12-,21-18-",CQVPPMRZUZNLCY,QYKSGGSCSA,N,DG(20:0/0:0/18:3n3),CQVPPMRZUZNLCY-QYKSGGSCSA-N
HMDB56082,644.537975414,C41H72O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,25,27,39,42H,3-5,7,9-11,13,15-17,19-20,22-24,26,28-38H2,1-2H3/b8-6-,14-12-,21-18-,27-25-",DRUIJMUKMIWTOY,UOLLSOMESA,N,DG(20:0/0:0/18:4n3),DRUIJMUKMIWTOY-UOLLSOMESA-N
HMDB56083,672.569275542,C43H76O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,41,44H,3-4,6,8-10,12,14-16,18,20-22,24,26-40H2,1-2H3/b7-5-,13-11-,19-17-,25-23-",OQDQTYDBVDFEDP,PEDPXMNESA,N,DG(20:0/0:0/20:4n3),OQDQTYDBVDFEDP-PEDPXMNESA-N
HMDB56084,670.553625478,C43H74O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,41,44H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-",UFBCJKWLEUICAE,YVAAATNKSA,N,DG(20:0/0:0/20:5n3),UFBCJKWLEUICAE-YVAAATNKSA-N
HMDB56085,698.584925606,C45H78O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,43,46H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-42H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,30-28-",ZITLEVZBULTYSJ,GLWDABGQSA,N,DG(20:0/0:0/22:5n3),ZITLEVZBULTYSJ-GLWDABGQSA-N
HMDB56086,696.569275542,C45H76O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,34,36,43,46H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-42H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,30-28-,36-34-",QPSNLPWVYBNPJW,ZVJYVBFZSA,N,DG(20:0/0:0/22:6n3),QPSNLPWVYBNPJW-ZVJYVBFZSA-N
HMDB56087,736.694476054,C47H92O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3",GYNODFLZPXTEPN,UHFFFAOYSA,N,DG(22:0/0:0/22:0),GYNODFLZPXTEPN-UHFFFAOYSA-N
HMDB56088,764.725776182,C49H96O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h47,50H,3-46H2,1-2H3",JEPVPHOKGIPNSW,UHFFFAOYSA,N,DG(22:0/0:0/24:0),JEPVPHOKGIPNSW-UHFFFAOYSA-N
HMDB56089,622.553625478,C39H74O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h25,27,37,40H,3-24,26,28-36H2,1-2H3",HCDIWJAGOSRYFR,UHFFFAOYSA,N,DG(22:0/0:0/14:1n5),HCDIWJAGOSRYFR-UHFFFAOYSA-N
HMDB56090,650.584925606,C41H78O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h23,25,39,42H,3-22,24,26-38H2,1-2H3",IZVAAADRQFVCMK,UHFFFAOYSA,N,DG(22:0/0:0/16:1n7),IZVAAADRQFVCMK-UHFFFAOYSA-N
HMDB56091,678.616225734,C43H82O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,41,44H,3-13,15,17-40H2,1-2H3/b16-14-",BDEDLMNNFOUYEN,PEZBUJJGSA,N,DG(22:0/0:0/18:1n7),BDEDLMNNFOUYEN-PEZBUJJGSA-N
HMDB56092,678.616225734,C43H82O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h18,23,41,44H,3-17,19-22,24-40H2,1-2H3/b23-18-",RUGFKEQCRHQYAG,NKFKGCMQSA,N,DG(22:0/0:0/18:1n9),RUGFKEQCRHQYAG-NKFKGCMQSA-N
HMDB56093,706.647525862,C45H86O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,43,46H,3-17,19,21-42H2,1-2H3/b20-18-",GTBIVXZMEARDFH,ZZEZOPTASA,N,DG(22:0/0:0/20:1n9),GTBIVXZMEARDFH-ZZEZOPTASA-N
HMDB56094,702.616225734,C45H82O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,25,27,31,33,43,46H,3-17,19,21-24,26,28-30,32,34-42H2,1-2H3/b20-18-,27-25-,33-31-",INPAKJJAWWAUGG,JBURNZCISA,N,DG(22:0/0:0/20:3n9),INPAKJJAWWAUGG-JBURNZCISA-N
HMDB56095,734.67882599,C47H90O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,45,48H,3-16,18,20-44H2,1-2H3/b19-17-",WDZBZNWYQXYAEQ,ZPHPHTNESA,N,DG(22:0/0:0/22:1n9),WDZBZNWYQXYAEQ-ZPHPHTNESA-N
HMDB56096,762.710126118,C49H94O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,47,50H,3-16,18,20-46H2,1-2H3/b19-17-",LLNSZMUEPWVURD,ZPHPHTNESA,N,DG(22:0/0:0/24:1n9),LLNSZMUEPWVURD-ZPHPHTNESA-N
HMDB56097,690.616225734,C44H82O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C44H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h14,16,20,24,42,45H,3-13,15,17-19,21-23,25-41H2,1-2H3/b16-14-,24-20-",GBEMFUIMEORPGL,NYBAESITSA,N,DG(22:0/0:0/18:2n6),GBEMFUIMEORPGL-NYBAESITSA-N
HMDB56098,674.584925606,C43H78O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,27,29,41,44H,3-11,13,15-17,19-22,24-26,28,30-40H2,1-2H3/b14-12-,23-18-,29-27-",DWYZKEIFRRKXNA,USVPDBRLSA,N,DG(22:0/0:0/18:3n6),DWYZKEIFRRKXNA-USVPDBRLSA-N
HMDB56099,690.616225734,C44H82O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C44H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h10,12,16,18,42,45H,3-9,11,13-15,17,19-41H2,1-2H3/b12-10-,18-16-",GRRUISVYRWVKQO,XOMYGGGSSA,N,DG(22:0/0:0/20:2n6),GRRUISVYRWVKQO-XOMYGGGSSA-N
HMDB56100,702.616225734,C45H82O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,43,46H,3-11,13,15-17,19,21-24,26,28-42H2,1-2H3/b14-12-,20-18-,27-25-",BRCDCZWSNYFEIR,YLWSDVAHSA,N,DG(22:0/0:0/20:3n6),BRCDCZWSNYFEIR-YLWSDVAHSA-N
HMDB56101,700.60057567,C45H80O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,43,46H,3-11,13,15-17,19,21-24,26,28-30,32,34-42H2,1-2H3/b14-12-,20-18-,27-25-,33-31-",IDVHDXHGKZADTI,SOVOIXCISA,N,DG(22:0/0:0/20:4n6),IDVHDXHGKZADTI-SOVOIXCISA-N
HMDB56102,732.663175926,C47H88O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,45,48H,3-10,12,14-16,18,20-44H2,1-2H3/b13-11-,19-17-",BOINDJHOOSROAR,OHNCOSGTSA,N,DG(22:0/0:0/22:2n6),BOINDJHOOSROAR-OHNCOSGTSA-N
HMDB56103,728.631875798,C47H84O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,45,48H,3-10,12,14-16,18,20-22,24,26-28,30,32-44H2,1-2H3/b13-11-,19-17-,25-23-,31-29-",TUUQLKMCDKGBGP,GLCRACHLSA,N,DG(22:0/0:0/22:4n6),TUUQLKMCDKGBGP-GLCRACHLSA-N
HMDB56104,726.616225734,C47H82O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,35,37,45,48H,3-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b13-11-,19-17-,25-23-,31-29-,37-35-",VCJGOCGVJRMCAD,MEHLGSBISA,N,DG(22:0/0:0/22:5n6),VCJGOCGVJRMCAD-MEHLGSBISA-N
HMDB56105,674.584925606,C43H78O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,41,44H,3-5,7,9-11,13,15-17,19-22,24-40H2,1-2H3/b8-6-,14-12-,23-18-",IJMYHNZSRWUAIM,RCFYAYCCSA,N,DG(22:0/0:0/18:3n3),IJMYHNZSRWUAIM-RCFYAYCCSA-N
HMDB56106,672.569275542,C43H76O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,27,29,41,44H,3-5,7,9-11,13,15-17,19-22,24-26,28,30-40H2,1-2H3/b8-6-,14-12-,23-18-,29-27-",YLRDFHOIARIYSC,HUSNOIDHSA,N,DG(22:0/0:0/18:4n3),YLRDFHOIARIYSC-HUSNOIDHSA-N
HMDB56107,700.60057567,C45H80O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,43,46H,3-5,7,9-11,13,15-17,19,21-24,26,28-42H2,1-2H3/b8-6-,14-12-,20-18-,27-25-",ATXDAKNNMMZHJV,BLRZRFMXSA,N,DG(22:0/0:0/20:4n3),ATXDAKNNMMZHJV-BLRZRFMXSA-N
HMDB56108,698.584925606,C45H78O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,43,46H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-42H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-",VPRVZUAPEZXOQS,KVNJNZRHSA,N,DG(22:0/0:0/20:5n3),VPRVZUAPEZXOQS-KVNJNZRHSA-N
HMDB56109,726.616225734,C47H82O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-",XUMBWGANMUGSQU,YVAAATNKSA,N,DG(22:0/0:0/22:5n3),XUMBWGANMUGSQU-YVAAATNKSA-N
HMDB56110,724.60057567,C47H80O5,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,35,37,45,48H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-",PBNSSNMTUUPPAD,ZJWGFCQVSA,N,DG(22:0/0:0/22:6n3),PBNSSNMTUUPPAD-ZJWGFCQVSA-N
HMDB56111,792.75707631,C51H100O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H100O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-47-49(52)48-56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49,52H,3-48H2,1-2H3",FVVAKYSCTIVMFI,UHFFFAOYSA,N,DG(24:0/0:0/24:0),FVVAKYSCTIVMFI-UHFFFAOYSA-N
HMDB56112,650.584925606,C41H78O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h27,29,39,42H,3-26,28,30-38H2,1-2H3",XKSRFERXHDGCTF,UHFFFAOYSA,N,DG(24:0/0:0/14:1n5),XKSRFERXHDGCTF-UHFFFAOYSA-N
HMDB56113,678.616225734,C43H82O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h25,27,41,44H,3-24,26,28-40H2,1-2H3",MSOYMWAJYJVTSO,UHFFFAOYSA,N,DG(24:0/0:0/16:1n7),MSOYMWAJYJVTSO-UHFFFAOYSA-N
HMDB56114,706.647525862,C45H86O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16,43,46H,3-13,15,17-42H2,1-2H3/b16-14-",GHNPIUGREWCJPB,PEZBUJJGSA,N,DG(24:0/0:0/18:1n7),GHNPIUGREWCJPB-PEZBUJJGSA-N
HMDB56115,706.647525862,C45H86O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h18,25,43,46H,3-17,19-24,26-42H2,1-2H3/b25-18-",TWUCWHUKKDZAKU,BWAHOGKJSA,N,DG(24:0/0:0/18:1n9),TWUCWHUKKDZAKU-BWAHOGKJSA-N
HMDB56116,734.67882599,C47H90O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,45,48H,3-17,19,21-44H2,1-2H3/b20-18-",RYFVHBNTGUVQPO,ZZEZOPTASA,N,DG(24:0/0:0/20:1n9),RYFVHBNTGUVQPO-ZZEZOPTASA-N
HMDB56117,730.647525862,C47H86O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,27,29,33,35,45,48H,3-17,19,21-26,28,30-32,34,36-44H2,1-2H3/b20-18-,29-27-,35-33-",CJGHKBFYZSGUBO,ZISUTNNWSA,N,DG(24:0/0:0/20:3n9),CJGHKBFYZSGUBO-ZISUTNNWSA-N
HMDB56118,762.710126118,C49H94O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,47,50H,3-17,19,21-46H2,1-2H3/b20-18-",WHBOSOFYNJRZKT,ZZEZOPTASA,N,DG(24:0/0:0/22:1n9),WHBOSOFYNJRZKT-ZZEZOPTASA-N
HMDB56119,790.741426246,C51H98O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H98O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-47-49(52)48-56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,49,52H,3-16,18,20-48H2,1-2H3/b19-17-",UNRSUOBFZUOHQL,ZPHPHTNESA,N,DG(24:0/0:0/24:1n9),UNRSUOBFZUOHQL-ZPHPHTNESA-N
HMDB56120,718.647525862,C46H86O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C46H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h14,16,20,26,44,47H,3-13,15,17-19,21-25,27-43H2,1-2H3/b16-14-,26-20-",KTCAUOLRLFGKCM,NECGDKIPSA,N,DG(24:0/0:0/18:2n6),KTCAUOLRLFGKCM-NECGDKIPSA-N
HMDB56121,702.616225734,C45H82O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,29,31,43,46H,3-11,13,15-17,19-24,26-28,30,32-42H2,1-2H3/b14-12-,25-18-,31-29-",BEDWAOYNDXTBQR,QPFWSXMOSA,N,DG(24:0/0:0/18:3n6),BEDWAOYNDXTBQR-QPFWSXMOSA-N
HMDB56122,718.647525862,C46H86O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C46H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h10,12,16,18,44,47H,3-9,11,13-15,17,19-43H2,1-2H3/b12-10-,18-16-",ALOUWCGIEMMKIH,XOMYGGGSSA,N,DG(24:0/0:0/20:2n6),ALOUWCGIEMMKIH-XOMYGGGSSA-N
HMDB56123,730.647525862,C47H86O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,45,48H,3-11,13,15-17,19,21-26,28,30-44H2,1-2H3/b14-12-,20-18-,29-27-",VMDHAODKVOSPFM,HGIUEHSQSA,N,DG(24:0/0:0/20:3n6),VMDHAODKVOSPFM-HGIUEHSQSA-N
HMDB56124,728.631875798,C47H84O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,33,35,45,48H,3-11,13,15-17,19,21-26,28,30-32,34,36-44H2,1-2H3/b14-12-,20-18-,29-27-,35-33-",KEPAARXNUMNLFV,WOQHKUJKSA,N,DG(24:0/0:0/20:4n6),KEPAARXNUMNLFV-WOQHKUJKSA-N
HMDB56125,760.694476054,C49H92O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47,50H,3-11,13,15-17,19,21-46H2,1-2H3/b14-12-,20-18-",XNKUYSVJEMOQMT,MLWYYCKJSA,N,DG(24:0/0:0/22:2n6),XNKUYSVJEMOQMT-MLWYYCKJSA-N
HMDB56126,756.663175926,C49H88O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,47,50H,3-11,13,15-17,19,21-24,26,28-30,32,34-46H2,1-2H3/b14-12-,20-18-,27-25-,33-31-",ITOXZHSDWMPPQS,SOVOIXCISA,N,DG(24:0/0:0/22:4n6),ITOXZHSDWMPPQS-SOVOIXCISA-N
HMDB56127,754.647525862,C49H86O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,37,39,47,50H,3-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b14-12-,20-18-,27-25-,33-31-,39-37-",DAMJMBNMNFZHQG,ZHJGBVBXSA,N,DG(24:0/0:0/22:5n6),DAMJMBNMNFZHQG-ZHJGBVBXSA-N
HMDB56128,702.616225734,C45H82O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,43,46H,3-5,7,9-11,13,15-17,19-24,26-42H2,1-2H3/b8-6-,14-12-,25-18-",LSQHITPUVYKEPT,IIINXBBISA,N,DG(24:0/0:0/18:3n3),LSQHITPUVYKEPT-IIINXBBISA-N
HMDB56129,700.60057567,C45H80O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,29,31,43,46H,3-5,7,9-11,13,15-17,19-24,26-28,30,32-42H2,1-2H3/b8-6-,14-12-,25-18-,31-29-",YDBRKVUMAVNGLR,JEJHIXFUSA,N,DG(24:0/0:0/18:4n3),YDBRKVUMAVNGLR-JEJHIXFUSA-N
HMDB56130,728.631875798,C47H84O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,27,29,45,48H,3-5,7,9-11,13,15-17,19,21-26,28,30-44H2,1-2H3/b8-6-,14-12-,20-18-,29-27-",SBPMSYPHROULMB,IGVUKOPASA,N,DG(24:0/0:0/20:4n3),SBPMSYPHROULMB-IGVUKOPASA-N
HMDB56131,726.616225734,C47H82O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,27,29,33,35,45,48H,3-5,7,9-11,13,15-17,19,21-26,28,30-32,34,36-44H2,1-2H3/b8-6-,14-12-,20-18-,29-27-,35-33-",FXILPMYEOANDJE,ZVLFOGAXSA,N,DG(24:0/0:0/20:5n3),FXILPMYEOANDJE-ZVLFOGAXSA-N
HMDB56132,754.647525862,C49H86O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,47,50H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-46H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-",VVLNPEXUPQEZAP,KVNJNZRHSA,N,DG(24:0/0:0/22:5n3),VVLNPEXUPQEZAP-KVNJNZRHSA-N
HMDB56133,752.631875798,C49H84O5,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,37,39,47,50H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-,39-37-",HILSDOBPYZIPAK,MPTWPEKKSA,N,DG(24:0/0:0/22:6n3),HILSDOBPYZIPAK-MPTWPEKKSA-N
HMDB56134,508.412774902,C31H56O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C31H56O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-27-29(32)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,29,32H,3-16,21-28H2,1-2H3",HLHDHRLWUZRJSS,UHFFFAOYSA,N,DG(14:1n5/0:0/14:1n5),HLHDHRLWUZRJSS-UHFFFAOYSA-N
HMDB56135,536.44407503,C33H60O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C33H60O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h16,18-19,21,31,34H,3-15,17,20,22-30H2,1-2H3",WFSPRUOXILQGMQ,UHFFFAOYSA,N,DG(14:1n5/0:0/16:1n7),WFSPRUOXILQGMQ-UHFFFAOYSA-N
HMDB56136,564.475375158,C35H64O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h13,15,21,23,33,36H,3-12,14,16-20,22,24-32H2,1-2H3/b15-13-,23-21?",KPFFTBXMWFHOAS,LGMPESSQSA,N,DG(14:1n5/0:0/18:1n7),KPFFTBXMWFHOAS-LGMPESSQSA-N
HMDB56137,564.475375158,C35H64O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,21,23,33,36H,3-15,18-20,22,24-32H2,1-2H3/b17-16-,23-21?",NOWVSMBZXVLEHP,FQWGGSTOSA,N,DG(14:1n5/0:0/18:1n9),NOWVSMBZXVLEHP-FQWGGSTOSA-N
HMDB56138,592.506675286,C37H68O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,23,25,35,38H,3-15,18-22,24,26-34H2,1-2H3/b17-16-,25-23?",FSLXBNUFJBDRJQ,NXHCDWHTSA,N,DG(14:1n5/0:0/20:1n9),FSLXBNUFJBDRJQ-NXHCDWHTSA-N
HMDB56139,588.475375158,C37H64O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,19-20,23-26,35,38H,3-15,18,21-22,27-34H2,1-2H3/b17-16-,20-19-,25-23?,26-24-",IJIAVYVNLRAPAZ,HXYQVLJHSA,N,DG(14:1n5/0:0/20:3n9),IJIAVYVNLRAPAZ-HXYQVLJHSA-N
HMDB56140,620.537975414,C39H72O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h16-17,25,27,37,40H,3-15,18-24,26,28-36H2,1-2H3/b17-16-,27-25?",VJYKKHKMBDBNBB,XHZUVYRQSA,N,DG(14:1n5/0:0/22:1n9),VJYKKHKMBDBNBB-XHZUVYRQSA-N
HMDB56141,648.569275542,C41H76O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC,"InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17,27,29,39,42H,3-15,18-26,28,30-38H2,1-2H3/b17-16-,29-27?",YWMLKYQOLWHOFH,WGPYTOQPSA,N,DG(14:1n5/0:0/24:1n9),YWMLKYQOLWHOFH-WGPYTOQPSA-N
HMDB56142,576.475375158,C36H64O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-14-12-10-8-6-4-2/h13,15,17-18,22,24,34,37H,3-12,14,16,19-21,23,25-33H2,1-2H3/b15-13-,18-17-,24-22?",KFDJEATXZBMLHT,GANDXJAUSA,N,DG(14:1n5/0:0/18:2n6),KFDJEATXZBMLHT-GANDXJAUSA-N
HMDB56143,560.44407503,C35H60O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,20-23,33,36H,3-10,12,14-15,18-19,24-32H2,1-2H3/b13-11-,17-16-,22-20-,23-21?",OCHGOTSBZBAXRP,HSCKONCXSA,N,DG(14:1n5/0:0/18:3n6),OCHGOTSBZBAXRP-HSCKONCXSA-N
HMDB56144,576.475375158,C36H64O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-14-12-10-8-6-4-2/h9,11,15-16,22,24,34,37H,3-8,10,12-14,17-21,23,25-33H2,1-2H3/b11-9-,16-15-,24-22?",SVORNHZFPMPFJQ,HHAZJMOESA,N,DG(14:1n5/0:0/20:2n6),SVORNHZFPMPFJQ-HHAZJMOESA-N
HMDB56145,588.475375158,C37H64O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,23,25,35,38H,3-10,12,14-15,18,21-22,24,26-34H2,1-2H3/b13-11-,17-16-,20-19-,25-23?",LXAWSKNWHHKAKC,ROILYHAKSA,N,DG(14:1n5/0:0/20:3n6),LXAWSKNWHHKAKC-ROILYHAKSA-N
HMDB56146,586.459725094,C37H62O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,23-26,35,38H,3-10,12,14-15,18,21-22,27-34H2,1-2H3/b13-11-,17-16-,20-19-,25-23?,26-24-",CUOHHUWZPWGROK,STERSMSHSA,N,DG(14:1n5/0:0/20:4n6),CUOHHUWZPWGROK-STERSMSHSA-N
HMDB56147,618.52232535,C39H70O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,25,27,37,40H,3-10,12,14-15,18-24,26,28-36H2,1-2H3/b13-11-,17-16-,27-25?",HSMYAFONOKZMJI,KIDQLIGRSA,N,DG(14:1n5/0:0/22:2n6),HSMYAFONOKZMJI-KIDQLIGRSA-N
HMDB56148,614.491025222,C39H66O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24-25,27,37,40H,3-10,12,14-15,18,21,23,26,28-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-,27-25?",YWYQODJQQTZXGP,OYLYSIDQSA,N,DG(14:1n5/0:0/22:4n6),YWYQODJQQTZXGP-OYLYSIDQSA-N
HMDB56149,612.475375158,C39H64O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24-25,27-28,30,37,40H,3-10,12,14-15,18,21,23,26,29,31-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-,27-25?,30-28-",CDTXMUFCBIHNCK,RQALRGEUSA,N,DG(14:1n5/0:0/22:5n6),CDTXMUFCBIHNCK-RQALRGEUSA-N
HMDB56150,560.44407503,C35H60O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,21,23,33,36H,3-4,6,8-10,12,14-15,18-20,22,24-32H2,1-2H3/b7-5-,13-11-,17-16-,23-21?",PDGGOMMJKLWQJC,JPAPDJNOSA,N,DG(14:1n5/0:0/18:3n3),PDGGOMMJKLWQJC-JPAPDJNOSA-N
HMDB56151,558.428424966,C35H58O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C35H58O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20-23,33,36H,3-4,6,8-10,12,14-15,18-19,24-32H2,1-2H3/b7-5-,13-11-,17-16-,22-20-,23-21?",JXOBLOUJGKKGGQ,IYRKWVNTSA,N,DG(14:1n5/0:0/18:4n3),JXOBLOUJGKKGGQ-IYRKWVNTSA-N
HMDB56152,586.459725094,C37H62O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23,25,35,38H,3-4,6,8-10,12,14-15,18,21-22,24,26-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,25-23?",RFTWGTNWFRSBHI,MZPJXXIMSA,N,DG(14:1n5/0:0/20:4n3),RFTWGTNWFRSBHI-MZPJXXIMSA-N
HMDB56153,584.44407503,C37H60O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H60O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23-26,35,38H,3-4,6,8-10,12,14-15,18,21-22,27-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,25-23?,26-24-",YHVUZLLJEYOJSI,AXEBHZEKSA,N,DG(14:1n5/0:0/20:5n3),YHVUZLLJEYOJSI-AXEBHZEKSA-N
HMDB56154,612.475375158,C39H64O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24-25,27,37,40H,3-4,6,8-10,12,14-15,18,21,23,26,28-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,27-25?",DSPKXVYJORTNRJ,SJTGCVOHSA,N,DG(14:1n5/0:0/22:5n3),DSPKXVYJORTNRJ-SJTGCVOHSA-N
HMDB56155,610.459725094,C39H62O5,CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24-25,27-28,30,37,40H,3-4,6,8-10,12,14-15,18,21,23,26,29,31-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,27-25?,30-28-",GDQAGTGWIBYTFP,RXXBUGOUSA,N,DG(14:1n5/0:0/22:6n3),GDQAGTGWIBYTFP-RXXBUGOUSA-N
HMDB56156,564.475375158,C35H64O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33,36H,3-16,21-32H2,1-2H3",CRQPNYSGCDQCRE,UHFFFAOYSA,N,DG(16:1n7/0:0/16:1n7),CRQPNYSGCDQCRE-UHFFFAOYSA-N
HMDB56157,592.506675286,C37H68O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,19,21,35,38H,3-12,14,16-18,20,22-34H2,1-2H3/b15-13-,21-19?",KKEZMBAWUUZFOW,DFWLDVBXSA,N,DG(16:1n7/0:0/18:1n7),KKEZMBAWUUZFOW-DFWLDVBXSA-N
HMDB56158,592.506675286,C37H68O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-19,21,35,38H,3-16,20,22-34H2,1-2H3/b18-17-,21-19?",PIXMWKQIEXNBMU,BGXROJTASA,N,DG(16:1n7/0:0/18:1n9),PIXMWKQIEXNBMU-BGXROJTASA-N
HMDB56159,620.537975414,C39H72O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,21,23,37,40H,3-16,19-20,22,24-36H2,1-2H3/b18-17-,23-21?",KIOAFFWAKHKERX,XEMXIWDISA,N,DG(16:1n7/0:0/20:1n9),KIOAFFWAKHKERX-XEMXIWDISA-N
HMDB56160,616.506675286,C39H68O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20-23,26,28,37,40H,3-16,19,24-25,27,29-36H2,1-2H3/b18-17-,22-20-,23-21?,28-26-",JOZZKPOHSGJXEJ,HZEWOGJISA,N,DG(16:1n7/0:0/20:3n9),JOZZKPOHSGJXEJ-HZEWOGJISA-N
HMDB56161,648.569275542,C41H76O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,23,25,39,42H,3-16,19-22,24,26-38H2,1-2H3/b18-17-,25-23?",GKKDOULSAREIKE,POCSBANGSA,N,DG(16:1n7/0:0/22:1n9),GKKDOULSAREIKE-POCSBANGSA-N
HMDB56162,676.60057567,C43H80O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC,"InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,25,27,41,44H,3-16,19-24,26,28-40H2,1-2H3/b18-17-,27-25?",NEXDQERTOHTMNN,FDNOFTCASA,N,DG(16:1n7/0:0/24:1n9),NEXDQERTOHTMNN-FDNOFTCASA-N
HMDB56163,604.506675286,C38H68O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,18-20,22,36,39H,3-12,14,16-17,21,23-35H2,1-2H3/b15-13-,19-18-,22-20?",XVMODRSDRHLTLH,IAMYKMOUSA,N,DG(16:1n7/0:0/18:2n6),XVMODRSDRHLTLH-IAMYKMOUSA-N
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HMDB56166,616.506675286,C39H68O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20-23,37,40H,3-10,12,14-16,19,24-36H2,1-2H3/b13-11-,18-17-,22-20-,23-21?",MKYJOTKOBVQNSM,TYQKEVGUSA,N,DG(16:1n7/0:0/20:3n6),MKYJOTKOBVQNSM-TYQKEVGUSA-N
HMDB56167,614.491025222,C39H66O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20-23,26,28,37,40H,3-10,12,14-16,19,24-25,27,29-36H2,1-2H3/b13-11-,18-17-,22-20-,23-21?,28-26-",JWCNGONSUJKGDO,WFZGEJPRSA,N,DG(16:1n7/0:0/20:4n6),JWCNGONSUJKGDO-WFZGEJPRSA-N
HMDB56168,646.553625478,C41H74O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,23,25,39,42H,3-10,12,14-16,19-22,24,26-38H2,1-2H3/b13-11-,18-17-,25-23?",BMKBFXVOPWXEAV,VITSRXFMSA,N,DG(16:1n7/0:0/22:2n6),BMKBFXVOPWXEAV-VITSRXFMSA-N
HMDB56169,642.52232535,C41H70O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23-26,39,42H,3-10,12,14-16,19,22,27-38H2,1-2H3/b13-11-,18-17-,21-20-,25-23?,26-24-",CETRSLQZSQJKNF,JYKMYMIZSA,N,DG(16:1n7/0:0/22:4n6),CETRSLQZSQJKNF-JYKMYMIZSA-N
HMDB56170,640.506675286,C41H68O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23-26,30,32,39,42H,3-10,12,14-16,19,22,27-29,31,33-38H2,1-2H3/b13-11-,18-17-,21-20-,25-23?,26-24-,32-30-",IJCGKDSTZCNLEF,SQFDHAFYSA,N,DG(16:1n7/0:0/22:5n6),IJCGKDSTZCNLEF-SQFDHAFYSA-N
HMDB56171,588.475375158,C37H64O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21,35,38H,3-4,6,8-10,12,14-16,20,22-34H2,1-2H3/b7-5-,13-11-,18-17-,21-19?",KBYRTZWNKBDCRG,YTRPTDLDSA,N,DG(16:1n7/0:0/18:3n3),KBYRTZWNKBDCRG-YTRPTDLDSA-N
HMDB56172,586.459725094,C37H62O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,35,38H,3-4,6,8-10,12,14-16,20,23,25-34H2,1-2H3/b7-5-,13-11-,18-17-,21-19?,24-22-",VYLJZDXZFIVJRB,GBLILESZSA,N,DG(16:1n7/0:0/18:4n3),VYLJZDXZFIVJRB-GBLILESZSA-N
HMDB56173,614.491025222,C39H66O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-23,37,40H,3-4,6,8-10,12,14-16,19,24-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-,23-21?",RESRNMIXCOXYHQ,AVGPLCKBSA,N,DG(16:1n7/0:0/20:4n3),RESRNMIXCOXYHQ-AVGPLCKBSA-N
HMDB56174,612.475375158,C39H64O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-23,26,28,37,40H,3-4,6,8-10,12,14-16,19,24-25,27,29-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-,23-21?,28-26-",XJJBSSJHWZLHHT,WPHJVREZSA,N,DG(16:1n7/0:0/20:5n3),XJJBSSJHWZLHHT-WPHJVREZSA-N
HMDB56175,640.506675286,C41H68O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-26,39,42H,3-4,6,8-10,12,14-16,19,22,27-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23?,26-24-",XEHMOVZXCLBHFH,RQMPACIJSA,N,DG(16:1n7/0:0/22:5n3),XEHMOVZXCLBHFH-RQMPACIJSA-N
HMDB56176,638.491025222,C41H66O5,CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-26,30,32,39,42H,3-4,6,8-10,12,14-16,19,22,27-29,31,33-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23?,26-24-,32-30-",LDJDIOMTMCHYMU,YYVCXMNHSA,N,DG(16:1n7/0:0/22:6n3),LDJDIOMTMCHYMU-YYVCXMNHSA-N
HMDB56177,620.537975414,C39H72O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37,40H,3-12,17-36H2,1-2H3/b15-13-,16-14-",KWCCFCRJFPDTAF,VMNXYWKNSA,N,DG(18:1n7/0:0/18:1n7),KWCCFCRJFPDTAF-VMNXYWKNSA-N
HMDB56178,620.537975414,C39H72O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,37,40H,3-12,14,16-17,19,21-36H2,1-2H3/b15-13-,20-18-",OSZBVLHCZPJBFL,CVDXBLDKSA,N,DG(18:1n7/0:0/18:1n9),OSZBVLHCZPJBFL-CVDXBLDKSA-N
HMDB56179,648.569275542,C41H76O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42H,3-13,15,18,20-38H2,1-2H3/b16-14-,19-17-",FYPYDKWTOGMVIZ,KXYOHKLBSA,N,DG(18:1n7/0:0/20:1n9),FYPYDKWTOGMVIZ-KXYOHKLBSA-N
HMDB56180,644.537975414,C41H72O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,39,42H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b16-14-,19-17-,24-22-,30-28-",AOJHJOJGZVBHGF,HCTFYHLLSA,N,DG(18:1n7/0:0/20:3n9),AOJHJOJGZVBHGF-HCTFYHLLSA-N
HMDB56181,676.60057567,C43H80O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16-17,19,41,44H,3-13,15,18,20-40H2,1-2H3/b16-14-,19-17-",GXBCXBZATYJJNT,KXYOHKLBSA,N,DG(18:1n7/0:0/22:1n9),GXBCXBZATYJJNT-KXYOHKLBSA-N
HMDB56182,704.631875798,C45H84O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,43,46H,3-13,15,18,20-42H2,1-2H3/b16-14-,19-17-",OOSULFDBZUCSHB,KXYOHKLBSA,N,DG(18:1n7/0:0/24:1n9),OOSULFDBZUCSHB-KXYOHKLBSA-N
HMDB56183,632.537975414,C40H72O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,19,21,38,41H,3-12,17-18,20,22-37H2,1-2H3/b15-13-,16-14-,21-19-",TVWCABBUEUOUGO,JZNMKSKXSA,N,DG(18:1n7/0:0/18:2n6),TVWCABBUEUOUGO-JZNMKSKXSA-N
HMDB56184,616.506675286,C39H68O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,37,40H,3-10,12,15,18,20-22,24,26-36H2,1-2H3/b13-11-,16-14-,19-17-,25-23-",YALFLVYLRTWTNH,XFOXMTFSSA,N,DG(18:1n7/0:0/18:3n6),YALFLVYLRTWTNH-XFOXMTFSSA-N
HMDB56185,632.537975414,C40H72O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,14-17,38,41H,3-8,10,12-13,18-37H2,1-2H3/b11-9-,16-14-,17-15-",CLSCUUMUGDUHIQ,UQKSGLGTSA,N,DG(18:1n7/0:0/20:2n6),CLSCUUMUGDUHIQ-UQKSGLGTSA-N
HMDB56186,644.537975414,C41H72O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,39,42H,3-10,12,15,18,20-21,23,25-38H2,1-2H3/b13-11-,16-14-,19-17-,24-22-",WCZGKIAPSQDSDI,CTOHQSSNSA,N,DG(18:1n7/0:0/20:3n6),WCZGKIAPSQDSDI-CTOHQSSNSA-N
HMDB56187,642.52232535,C41H70O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,39,42H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,16-14-,19-17-,24-22-,30-28-",OJNXMOKSIYDMSU,FEFPQCELSA,N,DG(18:1n7/0:0/20:4n6),OJNXMOKSIYDMSU-FEFPQCELSA-N
HMDB56188,674.584925606,C43H78O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,41,44H,3-10,12,15,18,20-40H2,1-2H3/b13-11-,16-14-,19-17-",VAHTWWLJIVYASY,PNBIJBBKSA,N,DG(18:1n7/0:0/22:2n6),VAHTWWLJIVYASY-PNBIJBBKSA-N
HMDB56189,670.553625478,C43H74O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,41,44H,3-10,12,15,18,20,23-25,27,29-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,28-26-",IKSWSKJAXUGKHC,SBWCHVBCSA,N,DG(18:1n7/0:0/22:4n6),IKSWSKJAXUGKHC-SBWCHVBCSA-N
HMDB56190,668.537975414,C43H72O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,32,34,41,44H,3-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,28-26-,34-32-",RJUNCJKUOOBPGW,FDQBLLIXSA,N,DG(18:1n7/0:0/22:5n6),RJUNCJKUOOBPGW-FDQBLLIXSA-N
HMDB56191,616.506675286,C39H68O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,37,40H,3-4,6,8-10,12,15,18,20-36H2,1-2H3/b7-5-,13-11-,16-14-,19-17-",XSXXAERQRSTKEZ,OZFAJUOSSA,N,DG(18:1n7/0:0/18:3n3),XSXXAERQRSTKEZ-OZFAJUOSSA-N
HMDB56192,614.491025222,C39H66O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,23,25,37,40H,3-4,6,8-10,12,15,18,20-22,24,26-36H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,25-23-",FYYBTKGJGCSNCV,CRORNLMGSA,N,DG(18:1n7/0:0/18:4n3),FYYBTKGJGCSNCV-CRORNLMGSA-N
HMDB56193,642.52232535,C41H70O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,39,42H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,24-22-",UGWSEEGKVHMICS,JZHOEYCRSA,N,DG(18:1n7/0:0/20:4n3),UGWSEEGKVHMICS-JZHOEYCRSA-N
HMDB56194,640.506675286,C41H68O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,39,42H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-",JMZQLJQSWXQABJ,VNXXNASLSA,N,DG(18:1n7/0:0/20:5n3),JMZQLJQSWXQABJ-VNXXNASLSA-N
HMDB56195,668.537975414,C43H72O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,41,44H,3-4,6,8-10,12,15,18,20,23-25,27,29-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-",BWPPXWXSNNMLOW,VNTVABMMSA,N,DG(18:1n7/0:0/22:5n3),BWPPXWXSNNMLOW-VNTVABMMSA-N
HMDB56196,666.52232535,C43H70O5,CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,41,44H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-",IPJYPLOTNXCEAB,YHSXCUEJSA,N,DG(18:1n7/0:0/22:6n3),IPJYPLOTNXCEAB-YHSXCUEJSA-N
HMDB56197,620.537975414,C39H72O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-",DRAWQKGUORNASA,CLFAGFIQSA,N,DG(18:1n9/0:0/18:1n9),DRAWQKGUORNASA-CLFAGFIQSA-N
HMDB56198,648.569275542,C41H76O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,39,42H,3-16,20,22-38H2,1-2H3/b19-17-,21-18-",XEZGXBBHEQNJAA,HWSICPKZSA,N,DG(18:1n9/0:0/20:1n9),XEZGXBBHEQNJAA-HWSICPKZSA-N
HMDB56199,644.537975414,C41H72O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,39,42H,3-16,20,23,25-27,29,31-38H2,1-2H3/b19-17-,21-18-,24-22-,30-28-",FRUUVGXHEKOOOY,RMHAFBGXSA,N,DG(18:1n9/0:0/20:3n9),FRUUVGXHEKOOOY-RMHAFBGXSA-N
HMDB56200,676.60057567,C43H80O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17-19,23,41,44H,3-16,20-22,24-40H2,1-2H3/b19-17-,23-18-",NQPYWXADVXEKHR,YQSYOFKPSA,N,DG(18:1n9/0:0/22:1n9),NQPYWXADVXEKHR-YQSYOFKPSA-N
HMDB56201,704.631875798,C45H84O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17-19,25,43,46H,3-16,20-24,26-42H2,1-2H3/b19-17-,25-18-",MLPWAUCPFIQVEC,OXYILQOFSA,N,DG(18:1n9/0:0/24:1n9),MLPWAUCPFIQVEC-OXYILQOFSA-N
HMDB56202,632.537975414,C40H72O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18-21,38,41H,3-12,14,16-17,22-37H2,1-2H3/b15-13-,20-18-,21-19-",JOJJIWNPSBTCRD,MXLPAPOISA,N,DG(18:1n9/0:0/18:2n6),JOJJIWNPSBTCRD-MXLPAPOISA-N
HMDB56203,616.506675286,C39H68O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,37,40H,3-10,12,14-16,21-22,24,26-36H2,1-2H3/b13-11-,19-17-,20-18-,25-23-",OLMRINFYMOVSNZ,CIPMSCSPSA,N,DG(18:1n9/0:0/18:3n6),OLMRINFYMOVSNZ-CIPMSCSPSA-N
HMDB56204,632.537975414,C40H72O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17-18,20,38,41H,3-8,10,12-14,16,19,21-37H2,1-2H3/b11-9-,17-15-,20-18-",PUPXLBDFDQYNLL,XPGPZONSSA,N,DG(18:1n9/0:0/20:2n6),PUPXLBDFDQYNLL-XPGPZONSSA-N
HMDB56205,644.537975414,C41H72O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,39,42H,3-10,12,14-16,20,23,25-38H2,1-2H3/b13-11-,19-17-,21-18-,24-22-",KWAOIHPYLJNFFK,WSASFUIDSA,N,DG(18:1n9/0:0/20:3n6),KWAOIHPYLJNFFK-WSASFUIDSA-N
HMDB56206,642.52232535,C41H70O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,39,42H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,21-18-,24-22-,30-28-",JTWQIPWOHKTYGW,SSCXCDNPSA,N,DG(18:1n9/0:0/20:4n6),JTWQIPWOHKTYGW-SSCXCDNPSA-N
HMDB56207,674.584925606,C43H78O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,23,41,44H,3-10,12,14-16,20-22,24-40H2,1-2H3/b13-11-,19-17-,23-18-",GXEONRVABSMVAG,SIUUASEZSA,N,DG(18:1n9/0:0/22:2n6),GXEONRVABSMVAG-SIUUASEZSA-N
HMDB56208,670.553625478,C43H74O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,41,44H,3-10,12,14-16,20,24-25,27,29-40H2,1-2H3/b13-11-,19-17-,22-21-,23-18-,28-26-",QPKXQZITTOAAKY,ZHUCSZMNSA,N,DG(18:1n9/0:0/22:4n6),QPKXQZITTOAAKY-ZHUCSZMNSA-N
HMDB56209,668.537975414,C43H72O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,32,34,41,44H,3-10,12,14-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b13-11-,19-17-,22-21-,23-18-,28-26-,34-32-",GHJOXQFLZDFHBM,OZSHSHTASA,N,DG(18:1n9/0:0/22:5n6),GHJOXQFLZDFHBM-OZSHSHTASA-N
HMDB56210,616.506675286,C39H68O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,37,40H,3-4,6,8-10,12,14-16,21-36H2,1-2H3/b7-5-,13-11-,19-17-,20-18-",GFFNKKHWIUCOAF,MURDYDGNSA,N,DG(18:1n9/0:0/18:3n3),GFFNKKHWIUCOAF-MURDYDGNSA-N
HMDB56211,614.491025222,C39H66O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,37,40H,3-4,6,8-10,12,14-16,21-22,24,26-36H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-",IAFKLCDFTGOUGB,YKVFHVBNSA,N,DG(18:1n9/0:0/18:4n3),IAFKLCDFTGOUGB-YKVFHVBNSA-N
HMDB56212,642.52232535,C41H70O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,39,42H,3-4,6,8-10,12,14-16,20,23,25-38H2,1-2H3/b7-5-,13-11-,19-17-,21-18-,24-22-",XIOPSTRAXBJYKA,HAGCXRLMSA,N,DG(18:1n9/0:0/20:4n3),XIOPSTRAXBJYKA-HAGCXRLMSA-N
HMDB56213,640.506675286,C41H68O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,28,30,39,42H,3-4,6,8-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,19-17-,21-18-,24-22-,30-28-",XINLQRONPJSODT,HHHWHCSPSA,N,DG(18:1n9/0:0/20:5n3),XINLQRONPJSODT-HHHWHCSPSA-N
HMDB56214,668.537975414,C43H72O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,41,44H,3-4,6,8-10,12,14-16,20,24-25,27,29-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-",MARDKHBEDGKFMD,LKVUMQLBSA,N,DG(18:1n9/0:0/22:5n3),MARDKHBEDGKFMD-LKVUMQLBSA-N
HMDB56215,666.52232535,C43H70O5,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,32,34,41,44H,3-4,6,8-10,12,14-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-,34-32-",XCVZWWPGQVYWBS,HILQMKNTSA,N,DG(18:1n9/0:0/22:6n3),XCVZWWPGQVYWBS-HILQMKNTSA-N
HMDB56216,676.60057567,C43H80O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41,44H,3-16,21-40H2,1-2H3/b19-17-,20-18-",ZMUDBWLSVCKRHS,CLFAGFIQSA,N,DG(20:1n9/0:0/20:1n9),ZMUDBWLSVCKRHS-CLFAGFIQSA-N
HMDB56217,672.569275542,C43H76O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23,25,29,31,41,44H,3-16,21-22,24,26-28,30,32-40H2,1-2H3/b19-17-,20-18-,25-23-,31-29-",VFIRFYWLWZTAON,RUXSMEJDSA,N,DG(20:1n9/0:0/20:3n9),VFIRFYWLWZTAON-RUXSMEJDSA-N
HMDB56218,704.631875798,C45H84O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,43,46H,3-16,21-42H2,1-2H3/b19-17-,20-18-",BGHKJFNECHNDNB,CLFAGFIQSA,N,DG(20:1n9/0:0/22:1n9),BGHKJFNECHNDNB-CLFAGFIQSA-N
HMDB56219,732.663175926,C47H88O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-",ZXHQVKZMNFXKGM,CLFAGFIQSA,N,DG(20:1n9/0:0/24:1n9),ZXHQVKZMNFXKGM-CLFAGFIQSA-N
HMDB56220,660.569275542,C42H76O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C42H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,22,40,43H,3-13,15,18,21,23-39H2,1-2H3/b16-14-,19-17-,22-20-",RAJBNTUUADCLND,DZELQHPSSA,N,DG(20:1n9/0:0/18:2n6),RAJBNTUUADCLND-DZELQHPSSA-N
HMDB56221,644.537975414,C41H72O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,25,27,39,42H,3-11,13,15-16,20,22-24,26,28-38H2,1-2H3/b14-12-,19-17-,21-18-,27-25-",PRECPECIPVXFQH,RRAHOILNSA,N,DG(20:1n9/0:0/18:3n6),PRECPECIPVXFQH-RRAHOILNSA-N
HMDB56222,660.569275542,C42H76O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C42H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,16-19,40,43H,3-9,11,13-15,20-39H2,1-2H3/b12-10-,18-16-,19-17-",LLWUKXSNFROZKV,HZWFLXIQSA,N,DG(20:1n9/0:0/20:2n6),LLWUKXSNFROZKV-HZWFLXIQSA-N
HMDB56223,672.569275542,C43H76O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,41,44H,3-10,12,14-16,21-22,24,26-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-",JSEFMLSMCNRBLN,CIPMSCSPSA,N,DG(20:1n9/0:0/20:3n6),JSEFMLSMCNRBLN-CIPMSCSPSA-N
HMDB56224,670.553625478,C43H74O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,41,44H,3-10,12,14-16,21-22,24,26-28,30,32-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-",KYTZSBQBUCWGRJ,HAMXDZFYSA,N,DG(20:1n9/0:0/20:4n6),KYTZSBQBUCWGRJ-HAMXDZFYSA-N
HMDB56225,702.616225734,C45H82O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,43,46H,3-10,12,14-16,21-42H2,1-2H3/b13-11-,19-17-,20-18-",MHBHDEXNQNAUOS,LTEAFHAISA,N,DG(20:1n9/0:0/22:2n6),MHBHDEXNQNAUOS-LTEAFHAISA-N
HMDB56226,698.584925606,C45H78O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,43,46H,3-10,12,14-16,21,23,25-27,29,31-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,30-28-",RQWGEMGBPBXKIC,JBEPULLTSA,N,DG(20:1n9/0:0/22:4n6),RQWGEMGBPBXKIC-JBEPULLTSA-N
HMDB56227,696.569275542,C45H76O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,34,36,43,46H,3-10,12,14-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,30-28-,36-34-",YXUJFYIEHNCMBL,WJEQYBRCSA,N,DG(20:1n9/0:0/22:5n6),YXUJFYIEHNCMBL-WJEQYBRCSA-N
HMDB56228,644.537975414,C41H72O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,39,42H,3-5,7,9-11,13,15-16,20,22-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-",IUZKGCPPKPFRPL,PITZWMLNSA,N,DG(20:1n9/0:0/18:3n3),IUZKGCPPKPFRPL-PITZWMLNSA-N
HMDB56229,642.52232535,C41H70O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,25,27,39,42H,3-5,7,9-11,13,15-16,20,22-24,26,28-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,27-25-",QUYWGKIGQOXYTF,OWYWMOPGSA,N,DG(20:1n9/0:0/18:4n3),QUYWGKIGQOXYTF-OWYWMOPGSA-N
HMDB56230,670.553625478,C43H74O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,41,44H,3-4,6,8-10,12,14-16,21-22,24,26-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-",MGNMWMMQKHUXCT,YKVFHVBNSA,N,DG(20:1n9/0:0/20:4n3),MGNMWMMQKHUXCT-YKVFHVBNSA-N
HMDB56231,668.537975414,C43H72O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,41,44H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-",JADWQWJGAYXZKD,RKQWFFNHSA,N,DG(20:1n9/0:0/20:5n3),JADWQWJGAYXZKD-RKQWFFNHSA-N
HMDB56232,696.569275542,C45H76O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,43,46H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-",GPQVDPPUJOKHPS,QSOAFSPRSA,N,DG(20:1n9/0:0/22:5n3),GPQVDPPUJOKHPS-QSOAFSPRSA-N
HMDB56233,694.553625478,C45H74O5,CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,34,36,43,46H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,36-34-",KJMQVHBAQZZQIE,LJHHLTENSA,N,DG(20:1n9/0:0/22:6n3),KJMQVHBAQZZQIE-LJHHLTENSA-N
HMDB56234,668.537975414,C43H72O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23-26,29-32,41,44H,3-16,21-22,27-28,33-40H2,1-2H3/b19-17-,20-18-,25-23-,26-24-,31-29-,32-30-",GOLRHKZVCRTBFW,TYPXCCOQSA,N,DG(20:3n9/0:0/20:3n9),GOLRHKZVCRTBFW-TYPXCCOQSA-N
HMDB56235,700.60057567,C45H80O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,25,27,31,33,43,46H,3-16,21-24,26,28-30,32,34-42H2,1-2H3/b19-17-,20-18-,27-25-,33-31-",NTAULNIXARMJOE,NTHOOKASSA,N,DG(20:3n9/0:0/22:1n9),NTAULNIXARMJOE-NTHOOKASSA-N
HMDB56236,728.631875798,C47H84O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,27,29,33,35,45,48H,3-16,21-26,28,30-32,34,36-44H2,1-2H3/b19-17-,20-18-,29-27-,35-33-",RSBXZJRVPCUBGC,YTRLOUOXSA,N,DG(20:3n9/0:0/24:1n9),RSBXZJRVPCUBGC-YTRLOUOXSA-N
HMDB56237,656.537975414,C42H72O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C42H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,22-23,25,29,31,40,43H,3-13,15,18,21,24,26-28,30,32-39H2,1-2H3/b16-14-,19-17-,22-20-,25-23-,31-29-",LCKIMUUJBGVENJ,AEJZZVOUSA,N,DG(20:3n9/0:0/18:2n6),LCKIMUUJBGVENJ-AEJZZVOUSA-N
HMDB56238,640.506675286,C41H68O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24-25,27-28,30,39,42H,3-11,13,15-16,20,23,26,29,31-38H2,1-2H3/b14-12-,19-17-,21-18-,24-22-,27-25-,30-28-",KMABSFKKFLDTIX,BAXXCKFWSA,N,DG(20:3n9/0:0/18:3n6),KMABSFKKFLDTIX-BAXXCKFWSA-N
HMDB56239,656.537975414,C42H72O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C42H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,16-19,23,25,29,31,40,43H,3-9,11,13-15,20-22,24,26-28,30,32-39H2,1-2H3/b12-10-,18-16-,19-17-,25-23-,31-29-",ZERRIYWDOLPONE,PMRPAJFYSA,N,DG(20:3n9/0:0/20:2n6),ZERRIYWDOLPONE-PMRPAJFYSA-N
HMDB56240,668.537975414,C43H72O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,30,32,41,44H,3-10,12,14-16,21-22,27-29,31,33-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,26-24-,32-30-",PPTFPPBZILRDOI,MYFRJGSISA,N,DG(20:3n9/0:0/20:3n6),PPTFPPBZILRDOI-MYFRJGSISA-N
HMDB56241,666.52232535,C43H70O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,29-32,41,44H,3-10,12,14-16,21-22,27-28,33-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-",NBPTZMSSVWVHPD,YNHCACMGSA,N,DG(20:3n9/0:0/20:4n6),NBPTZMSSVWVHPD-YNHCACMGSA-N
HMDB56242,698.584925606,C45H78O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,25,27,31,33,43,46H,3-10,12,14-16,21-24,26,28-30,32,34-42H2,1-2H3/b13-11-,19-17-,20-18-,27-25-,33-31-",RRIZWNZYJNHTIR,UTFBBTQYSA,N,DG(20:3n9/0:0/22:2n6),RRIZWNZYJNHTIR-UTFBBTQYSA-N
HMDB56243,694.553625478,C45H74O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24-25,27-28,30-31,33,43,46H,3-10,12,14-16,21,23,26,29,32,34-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-",YPPVKMCWNOTHQA,KGNRGHNXSA,N,DG(20:3n9/0:0/22:4n6),YPPVKMCWNOTHQA-KGNRGHNXSA-N
HMDB56244,692.537975414,C45H72O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-10,12,14-16,21,23,26,29,32,35,37-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-",YDNATQFMLDZGBV,CDJDXHMRSA,N,DG(20:3n9/0:0/22:5n6),YDNATQFMLDZGBV-CDJDXHMRSA-N
HMDB56245,640.506675286,C41H68O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24,28,30,39,42H,3-5,7,9-11,13,15-16,20,23,25-27,29,31-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,24-22-,30-28-",ZSFGLGMADJWCSH,CIWVIYLJSA,N,DG(20:3n9/0:0/18:3n3),ZSFGLGMADJWCSH-CIWVIYLJSA-N
HMDB56246,638.491025222,C41H66O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24-25,27-28,30,39,42H,3-5,7,9-11,13,15-16,20,23,26,29,31-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-",IQGQVTFMNSRJRB,WLBASRBWSA,N,DG(20:3n9/0:0/18:4n3),IQGQVTFMNSRJRB-WLBASRBWSA-N
HMDB56247,666.52232535,C43H70O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,30,32,41,44H,3-4,6,8-10,12,14-16,21-22,27-29,31,33-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,26-24-,32-30-",YXMWZICHGUQHKE,UFNOWDFISA,N,DG(20:3n9/0:0/20:4n3),YXMWZICHGUQHKE-UFNOWDFISA-N
HMDB56248,664.506675286,C43H68O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,29-32,41,44H,3-4,6,8-10,12,14-16,21-22,27-28,33-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-",PTEAVCCMYDLLPO,KASOYHIRSA,N,DG(20:3n9/0:0/20:5n3),PTEAVCCMYDLLPO-KASOYHIRSA-N
HMDB56249,692.537975414,C45H72O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24-25,27-28,30-31,33,43,46H,3-4,6,8-10,12,14-16,21,23,26,29,32,34-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-",PHJFRPWSGDFMPE,VXTSFHANSA,N,DG(20:3n9/0:0/22:5n3),PHJFRPWSGDFMPE-VXTSFHANSA-N
HMDB56250,690.52232535,C45H70O5,CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-4,6,8-10,12,14-16,21,23,26,29,32,35,37-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-",FHSCQUBTCPBPOZ,OPAYPLMOSA,N,DG(20:3n9/0:0/22:6n3),FHSCQUBTCPBPOZ-OPAYPLMOSA-N
HMDB56251,732.663175926,C47H88O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-",CBTMTZFHKUDGSX,CLFAGFIQSA,N,DG(22:1n9/0:0/22:1n9),CBTMTZFHKUDGSX-CLFAGFIQSA-N
HMDB56252,760.694476054,C49H92O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C49H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h17-20,47,50H,3-16,21-46H2,1-2H3/b19-17-,20-18-",KTVNDRNZDJHMBU,CLFAGFIQSA,N,DG(22:1n9/0:0/24:1n9),KTVNDRNZDJHMBU-CLFAGFIQSA-N
HMDB56253,688.60057567,C44H80O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C44H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,24,42,45H,3-13,15,18,21-23,25-41H2,1-2H3/b16-14-,19-17-,24-20-",ZRHLLYXUUATGHJ,MRIYCAOASA,N,DG(22:1n9/0:0/18:2n6),ZRHLLYXUUATGHJ-MRIYCAOASA-N
HMDB56254,672.569275542,C43H76O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,27,29,41,44H,3-11,13,15-16,20-22,24-26,28,30-40H2,1-2H3/b14-12-,19-17-,23-18-,29-27-",OAQVVGRZPLGSNE,QOTCIPPESA,N,DG(22:1n9/0:0/18:3n6),OAQVVGRZPLGSNE-QOTCIPPESA-N
HMDB56255,688.60057567,C44H80O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C44H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h10,12,16-19,42,45H,3-9,11,13-15,20-41H2,1-2H3/b12-10-,18-16-,19-17-",KXNRRRMTQDYYOM,HZWFLXIQSA,N,DG(22:1n9/0:0/20:2n6),KXNRRRMTQDYYOM-HZWFLXIQSA-N
HMDB56256,700.60057567,C45H80O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,43,46H,3-11,13,15-16,21-24,26,28-42H2,1-2H3/b14-12-,19-17-,20-18-,27-25-",AOPNVTWQTIWCLE,YPPSUPQSSA,N,DG(22:1n9/0:0/20:3n6),AOPNVTWQTIWCLE-YPPSUPQSSA-N
HMDB56257,698.584925606,C45H78O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,43,46H,3-11,13,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-",DKWUBPVXICWTKQ,JQVAFDHZSA,N,DG(22:1n9/0:0/20:4n6),DKWUBPVXICWTKQ-JQVAFDHZSA-N
HMDB56258,730.647525862,C47H86O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,45,48H,3-10,12,14-16,21-44H2,1-2H3/b13-11-,19-17-,20-18-",BDNYHISJIYEQMH,LTEAFHAISA,N,DG(22:1n9/0:0/22:2n6),BDNYHISJIYEQMH-LTEAFHAISA-N
HMDB56259,726.616225734,C47H82O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,45,48H,3-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-",KMAWADMXBHSFOG,HAMXDZFYSA,N,DG(22:1n9/0:0/22:4n6),KMAWADMXBHSFOG-HAMXDZFYSA-N
HMDB56260,724.60057567,C47H80O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,35,37,45,48H,3-10,12,14-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-,37-35-",CFDYOYVXLYXKDM,IYOCPOPBSA,N,DG(22:1n9/0:0/22:5n6),CFDYOYVXLYXKDM-IYOCPOPBSA-N
HMDB56261,672.569275542,C43H76O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,41,44H,3-5,7,9-11,13,15-16,20-22,24-40H2,1-2H3/b8-6-,14-12-,19-17-,23-18-",XPGLGYPHMFNTKQ,OUQWZLJOSA,N,DG(22:1n9/0:0/18:3n3),XPGLGYPHMFNTKQ-OUQWZLJOSA-N
HMDB56262,670.553625478,C43H74O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,27,29,41,44H,3-5,7,9-11,13,15-16,20-22,24-26,28,30-40H2,1-2H3/b8-6-,14-12-,19-17-,23-18-,29-27-",QWBJFHUMPKVXOT,WLBCATJQSA,N,DG(22:1n9/0:0/18:4n3),QWBJFHUMPKVXOT-WLBCATJQSA-N
HMDB56263,698.584925606,C45H78O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,43,46H,3-5,7,9-11,13,15-16,21-24,26,28-42H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-",YRJQKDDAOGFZTD,XYOJIWJWSA,N,DG(22:1n9/0:0/20:4n3),YRJQKDDAOGFZTD-XYOJIWJWSA-N
HMDB56264,696.569275542,C45H76O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,43,46H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-",UCLBTKIUEYXHID,BPVPNIAOSA,N,DG(22:1n9/0:0/20:5n3),UCLBTKIUEYXHID-BPVPNIAOSA-N
HMDB56265,724.60057567,C47H80O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-",BJHJUOABIXWULJ,RKQWFFNHSA,N,DG(22:1n9/0:0/22:5n3),BJHJUOABIXWULJ-RKQWFFNHSA-N
HMDB56266,722.584925606,C47H78O5,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,35,37,45,48H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-,37-35-",HDSRFVNGRONZRB,SMZPACEQSA,N,DG(22:1n9/0:0/22:6n3),HDSRFVNGRONZRB-SMZPACEQSA-N
HMDB56267,788.725776182,C51H96O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C51H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-47-49(52)48-56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,49,52H,3-16,21-48H2,1-2H3/b19-17-,20-18-",HGIPHBBXRGIBNW,CLFAGFIQSA,N,DG(24:1n9/0:0/24:1n9),HGIPHBBXRGIBNW-CLFAGFIQSA-N
HMDB56268,716.631875798,C46H84O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C46H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,26,44,47H,3-13,15,18,21-25,27-43H2,1-2H3/b16-14-,19-17-,26-20-",QHADFVSKPZYWNX,FHHPXAKQSA,N,DG(24:1n9/0:0/18:2n6),QHADFVSKPZYWNX-FHHPXAKQSA-N
HMDB56269,700.60057567,C45H80O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,29,31,43,46H,3-11,13,15-16,20-24,26-28,30,32-42H2,1-2H3/b14-12-,19-17-,25-18-,31-29-",CVZYSNLBPQZFFI,VVWYHQIESA,N,DG(24:1n9/0:0/18:3n6),CVZYSNLBPQZFFI-VVWYHQIESA-N
HMDB56270,716.631875798,C46H84O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C46H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h10,12,16-19,44,47H,3-9,11,13-15,20-43H2,1-2H3/b12-10-,18-16-,19-17-",ZYSQQSFJXPEEHU,HZWFLXIQSA,N,DG(24:1n9/0:0/20:2n6),ZYSQQSFJXPEEHU-HZWFLXIQSA-N
HMDB56271,728.631875798,C47H84O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,45,48H,3-11,13,15-16,21-26,28,30-44H2,1-2H3/b14-12-,19-17-,20-18-,29-27-",DINKWVKSSJIJOR,DZYQBHEXSA,N,DG(24:1n9/0:0/20:3n6),DINKWVKSSJIJOR-DZYQBHEXSA-N
HMDB56272,726.616225734,C47H82O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,33,35,45,48H,3-11,13,15-16,21-26,28,30-32,34,36-44H2,1-2H3/b14-12-,19-17-,20-18-,29-27-,35-33-",RJLIQZNDYITXAH,OCNHJMTGSA,N,DG(24:1n9/0:0/20:4n6),RJLIQZNDYITXAH-OCNHJMTGSA-N
HMDB56273,758.67882599,C49H90O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C49H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47,50H,3-11,13,15-16,21-46H2,1-2H3/b14-12-,19-17-,20-18-",HNLBTPAZZNECSB,RQOIEFAZSA,N,DG(24:1n9/0:0/22:2n6),HNLBTPAZZNECSB-RQOIEFAZSA-N
HMDB56274,754.647525862,C49H86O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,47,50H,3-11,13,15-16,21-24,26,28-30,32,34-46H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-",BROKXLQGVUVPIK,JQVAFDHZSA,N,DG(24:1n9/0:0/22:4n6),BROKXLQGVUVPIK-JQVAFDHZSA-N
HMDB56275,752.631875798,C49H84O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,37,39,47,50H,3-11,13,15-16,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-,39-37-",OVPRBIWZKWZOMP,PHPQCLROSA,N,DG(24:1n9/0:0/22:5n6),OVPRBIWZKWZOMP-PHPQCLROSA-N
HMDB56276,700.60057567,C45H80O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,43,46H,3-5,7,9-11,13,15-16,20-24,26-42H2,1-2H3/b8-6-,14-12-,19-17-,25-18-",HJVCJMMAWFHXPT,UIAPBGNPSA,N,DG(24:1n9/0:0/18:3n3),HJVCJMMAWFHXPT-UIAPBGNPSA-N
HMDB56277,698.584925606,C45H78O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,29,31,43,46H,3-5,7,9-11,13,15-16,20-24,26-28,30,32-42H2,1-2H3/b8-6-,14-12-,19-17-,25-18-,31-29-",VDQSMIHFAGIOSA,RHBCIJKRSA,N,DG(24:1n9/0:0/18:4n3),VDQSMIHFAGIOSA-RHBCIJKRSA-N
HMDB56278,726.616225734,C47H82O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,27,29,45,48H,3-5,7,9-11,13,15-16,21-26,28,30-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,29-27-",JQXXNXSETLEOCH,FTFFSPDJSA,N,DG(24:1n9/0:0/20:4n3),JQXXNXSETLEOCH-FTFFSPDJSA-N
HMDB56279,724.60057567,C47H80O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,27,29,33,35,45,48H,3-5,7,9-11,13,15-16,21-26,28,30-32,34,36-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,29-27-,35-33-",IMDNPJQTYGXGSA,CUINWVLHSA,N,DG(24:1n9/0:0/20:5n3),IMDNPJQTYGXGSA-CUINWVLHSA-N
HMDB56280,752.631875798,C49H84O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,47,50H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-",QMPHEMWMWSCGDQ,BPVPNIAOSA,N,DG(24:1n9/0:0/22:5n3),QMPHEMWMWSCGDQ-BPVPNIAOSA-N
HMDB56281,750.616225734,C49H82O5,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C49H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,37,39,47,50H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-,39-37-",QVLZSHVVHZRVNY,ZFMDJCPCSA,N,DG(24:1n9/0:0/22:6n3),QVLZSHVVHZRVNY-ZFMDJCPCSA-N
HMDB56282,644.537975414,C41H72O5,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-39(42)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,19-22,39,42H,3-12,17-18,23-38H2,1-2H3/b15-13-,16-14-,21-19-,22-20-",KVVIPLDQLGMPEV,KWXKLSQISA,N,DG(18:2n6/0:0/18:2n6),KVVIPLDQLGMPEV-KWXKLSQISA-N
HMDB56283,628.506675286,C40H68O5,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18-21,24,26,38,41H,3-11,16-17,22-23,25,27-37H2,1-2H3/b14-12-,15-13-,20-18-,21-19-,26-24-",DQSHOTZVAMTFFY,JXYBOKSISA,N,DG(18:2n6/0:0/18:3n6),DQSHOTZVAMTFFY-JXYBOKSISA-N
HMDB56284,644.537975414,C41H72O5,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC,"InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-39(42)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,14-17,20,22,39,42H,3-8,10,12-13,18-19,21,23-38H2,1-2H3/b11-9-,16-14-,17-15-,22-20-",FWUBTKXBGQGCQB,PTLGEMICSA,N,DG(18:2n6/0:0/20:2n6),FWUBTKXBGQGCQB-PTLGEMICSA-N
HMDB56285,656.537975414,C42H72O5,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19-20,22-23,25,40,43H,3-10,12,15,18,21,24,26-39H2,1-2H3/b13-11-,16-14-,19-17-,22-20-,25-23-",BIRQGYJWMZBAPU,YSRVDCBASA,N,DG(18:2n6/0:0/20:3n6),BIRQGYJWMZBAPU-YSRVDCBASA-N
HMDB56286,654.52232535,C42H70O5,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C42H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19-20,22-23,25,29,31,40,43H,3-10,12,15,18,21,24,26-28,30,32-39H2,1-2H3/b13-11-,16-14-,19-17-,22-20-,25-23-,31-29-",YTHCXFYIDZFYFR,ODCJACHSSA,N,DG(18:2n6/0:0/20:4n6),YTHCXFYIDZFYFR-ODCJACHSSA-N
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HMDB56393,1400.972226142,C77H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,33-34,36,40,48,52,71-73,78H,5-20,22-24,26-32,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1",LNSJIYLHWFSCHJ,NQPSJYMCSA,N,"CL(16:0/16:0/16:0/20:4(5Z,8Z,11Z,14Z))",LNSJIYLHWFSCHJ-NQPSJYMCSA-N
HMDB56394,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,33-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,26-32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1",PRTYHHFQSCTHBR,ICCGDMOFSA,N,"CL(16:0/16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",PRTYHHFQSCTHBR-ICCGDMOFSA-N
HMDB56395,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,26-32,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1",AGVZFCWNDHWGHX,AKYMPBFMSA,N,"CL(16:0/16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",AGVZFCWNDHWGHX-AKYMPBFMSA-N
HMDB56396,1424.972226142,C79H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,42,46,54,58,73-75,80H,5-8,10-12,14-20,22-24,26-32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1",GXOLQEHXIJUJLJ,HKYVNOJDSA,N,"CL(16:0/16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GXOLQEHXIJUJLJ-HKYVNOJDSA-N
HMDB56397,1381.00352627,C75H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C75H146O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h69-71,76H,5-68H2,1-4H3,(H,81,82)(H,83,84)/t69?,70-,71-/m1/s1",RRLSOHFXWLRDBR,ALCJMYJCSA,N,CL(16:0/16:0/18:0/16:0),RRLSOHFXWLRDBR-ALCJMYJCSA-N
HMDB56398,1409.034826398,C77H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C77H150O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h71-73,78H,5-70H2,1-4H3,(H,83,84)(H,85,86)/t71?,72-,73-/m1/s1",UXFVBRRGQACDSO,PZJXYAHLSA,N,CL(16:0/16:0/18:0/18:0),UXFVBRRGQACDSO-PZJXYAHLSA-N
HMDB56399,1378.987876206,C75H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h28,32,69-71,76H,5-27,29-31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b32-28-/t69?,70-,71-/m1/s1",MEXLOXFATAAVBE,JYGVYVFDSA,N,CL(16:0/16:0/18:0/16:1(9Z)),MEXLOXFATAAVBE-JYGVYVFDSA-N
HMDB56400,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h26,30,71-73,78H,5-25,27-29,31-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-/t71?,72-,73-/m1/s1",KFUZIVOLPWZQCP,DRCLLYOJSA,N,CL(16:0/16:0/18:0/18:1(11Z)),KFUZIVOLPWZQCP-DRCLLYOJSA-N
HMDB56401,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h34,36,71-73,78H,5-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b36-34-/t71?,72-,73-/m1/s1",HYFCNPYHPNEQPO,QUXFPOTKSA,N,CL(16:0/16:0/18:0/18:1(9Z)),HYFCNPYHPNEQPO-QUXFPOTKSA-N
HMDB56402,1419.019176334,C78H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1",WXYPGMYUEQIUHG,YWSNMHSKSA,N,"CL(16:0/16:0/18:0/18:2(9Z,12Z))",WXYPGMYUEQIUHG-YWSNMHSKSA-N
HMDB56403,1429.00352627,C79H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,33,35,38,42,50,54,73-75,80H,5-20,22-24,26-32,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1",OWYDZVIGMMFAIJ,FPCPIYQKSA,N,"CL(16:0/16:0/18:0/20:4(5Z,8Z,11Z,14Z))",OWYDZVIGMMFAIJ-FPCPIYQKSA-N
HMDB56404,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,26-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1",KKWXRBCFUWCTKE,TWQBDFPHSA,N,"CL(16:0/16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",KKWXRBCFUWCTKE-TWQBDFPHSA-N
HMDB56405,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1",VRNIRAHMZRMCNY,IRJUARBTSA,N,"CL(16:0/16:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",VRNIRAHMZRMCNY-IRJUARBTSA-N
HMDB56406,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1",BMVZLVDUQPRKSF,NUPHLBBMSA,N,"CL(16:0/16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BMVZLVDUQPRKSF-NUPHLBBMSA-N
HMDB56407,1350.956576078,C73H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C73H140O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,67-69,74H,5-24,26-28,30-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-/t67?,68-,69-/m1/s1",SCLPNFCKOSYSEE,BGBYSKMQSA,N,CL(16:0/16:0/16:1(9Z)/16:0),SCLPNFCKOSYSEE-BGBYSKMQSA-N
HMDB56408,1378.987876206,C75H144O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27,31,69-71,76H,5-26,28-30,32-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-/t69?,70-,71-/m1/s1",UGHQVAOVGLUPIS,UYIUEJAUSA,N,CL(16:0/16:0/16:1(9Z)/18:0),UGHQVAOVGLUPIS-UYIUEJAUSA-N
HMDB56409,1348.940926014,C73H138O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C73H138O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,67-69,74H,5-24,26,28,30,32-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-,31-27-/t67?,68-,69-/m1/s1",FWLUKTLUGXCPHJ,ZZBBXQNKSA,N,CL(16:0/16:0/16:1(9Z)/16:1(9Z)),FWLUKTLUGXCPHJ-ZZBBXQNKSA-N
HMDB56410,1376.972226142,C75H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,27,29,31,69-71,76H,5-24,26,28,30,32-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,31-27-/t69?,70-,71-/m1/s1",DOLLEVJSOUFCPQ,RWDBNWLLSA,N,CL(16:0/16:0/16:1(9Z)/18:1(11Z)),DOLLEVJSOUFCPQ-RWDBNWLLSA-N
HMDB56411,1376.972226142,C75H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27,31,33-34,69-71,76H,5-26,28-30,32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-,34-33-/t69?,70-,71-/m1/s1",FLWBDGYHPKIVMG,LTXFBFHISA,N,CL(16:0/16:0/16:1(9Z)/18:1(9Z)),FLWBDGYHPKIVMG-LTXFBFHISA-N
HMDB56412,1388.972226142,C76H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C76H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,27,29,31,34-35,70-72,77H,5-24,26,28,30,32-33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,31-27-,35-34-/t70?,71-,72-/m1/s1",MYGMBQDFOKXTMC,GLKZXMAISA,N,"CL(16:0/16:0/16:1(9Z)/18:2(9Z,12Z))",MYGMBQDFOKXTMC-GLKZXMAISA-N
HMDB56413,1398.956576078,C77H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,40,48,52,71-73,78H,5-20,22-24,26,28-30,32,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,31-27-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1",MIFUZNQBEQGJKA,ZHJYNVMKSA,N,"CL(16:0/16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",MIFUZNQBEQGJKA-ZHJYNVMKSA-N
HMDB56414,1424.972226142,C79H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,26,28-30,32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1",GDINBQXPJUEMBZ,SLKQQBPQSA,N,"CL(16:0/16:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GDINBQXPJUEMBZ-SLKQQBPQSA-N
HMDB56415,1424.972226142,C79H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,26,28-30,32,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,31-27-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1",ZUZCCLBHYVXMLT,FHICRPNBSA,N,"CL(16:0/16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZUZCCLBHYVXMLT-FHICRPNBSA-N
HMDB56416,1422.956576078,C79H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,42,46,54,58,73-75,80H,5-8,10-12,14-20,22-24,26,28-30,32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,31-27-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1",LQBWFGXZJAVFHY,NFZYYQGISA,N,"CL(16:0/16:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",LQBWFGXZJAVFHY-NFZYYQGISA-N
HMDB56417,1378.987876206,C75H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,29,69-71,76H,5-24,26-28,30-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-/t69?,70-,71-/m1/s1",KKHKUWJOSZBMBI,FAXNQPFRSA,N,CL(16:0/16:0/18:1(11Z)/16:0),KKHKUWJOSZBMBI-FAXNQPFRSA-N
HMDB56418,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25,29,71-73,78H,5-24,26-28,30-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-/t71?,72-,73-/m1/s1",ASVOLIXXGLVJSL,OXIBHVTNSA,N,CL(16:0/16:0/18:1(11Z)/18:0),ASVOLIXXGLVJSL-OXIBHVTNSA-N
HMDB56419,1376.972226142,C75H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,28-29,32,69-71,76H,5-24,26-27,30-31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,32-28-/t69?,70-,71-/m1/s1",JKIHCYKOQKPPCY,YJHBDSBNSA,N,CL(16:0/16:0/18:1(11Z)/16:1(9Z)),JKIHCYKOQKPPCY-YJHBDSBNSA-N
HMDB56420,1405.00352627,C77H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t71?,72-,73-/m1/s1",ZASPIRZPKIFDNI,PWQAUFOFSA,N,CL(16:0/16:0/18:1(11Z)/18:1(11Z)),ZASPIRZPKIFDNI-PWQAUFOFSA-N
HMDB56421,1405.00352627,C77H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25,29,34,36,71-73,78H,5-24,26-28,30-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,36-34-/t71?,72-,73-/m1/s1",WJVHCHASVGFITB,LNUCGMJPSA,N,CL(16:0/16:0/18:1(11Z)/18:1(9Z)),WJVHCHASVGFITB-LNUCGMJPSA-N
HMDB56422,1417.00352627,C78H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25-26,29-30,35,37,72-74,79H,5-24,27-28,31-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,37-35-/t72?,73-,74-/m1/s1",SGWSNRRUPPRVQZ,SVRGAHCTSA,N,"CL(16:0/16:0/18:1(11Z)/18:2(9Z,12Z))",SGWSNRRUPPRVQZ-SVRGAHCTSA-N
HMDB56423,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25-26,30,33,35,38,42,50,54,73-75,80H,5-20,22-24,27-29,31-32,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1",NFWOVQCAMHFASF,OJYWNVCGSA,N,"CL(16:0/16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",NFWOVQCAMHFASF-OJYWNVCGSA-N
HMDB56424,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25-26,30,33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,27-29,31-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1",XWFYGPKQBGQHTL,KAVNRGKPSA,N,"CL(16:0/16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XWFYGPKQBGQHTL-KAVNRGKPSA-N
HMDB56425,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1",RGXNNCQSTDMJQW,YZAQPDDMSA,N,"CL(16:0/16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RGXNNCQSTDMJQW-YZAQPDDMSA-N
HMDB56426,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1",VZFHZUJSLIKUCX,NUCVNVOHSA,N,"CL(16:0/16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VZFHZUJSLIKUCX-NUCVNVOHSA-N
HMDB56427,1378.987876206,C75H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h33-34,69-71,76H,5-32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b34-33-/t69?,70-,71-/m1/s1",NLIVPYVMHKSDIX,BGGUDNINSA,N,CL(16:0/16:0/18:1(9Z)/16:0),NLIVPYVMHKSDIX-BGGUDNINSA-N
HMDB56428,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h33,35,71-73,78H,5-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-/t71?,72-,73-/m1/s1",NVZYGDVXBWQJIL,AJMRJSEVSA,N,CL(16:0/16:0/18:1(9Z)/18:0),NVZYGDVXBWQJIL-AJMRJSEVSA-N
HMDB56429,1376.972226142,C75H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h28,32-34,69-71,76H,5-27,29-31,35-68H2,1-4H3,(H,81,82)(H,83,84)/b32-28-,34-33-/t69?,70-,71-/m1/s1",CAYORCQXEVNYLT,CIQAONCWSA,N,CL(16:0/16:0/18:1(9Z)/16:1(9Z)),CAYORCQXEVNYLT-CIQAONCWSA-N
HMDB56430,1405.00352627,C77H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h26,30,33,35,71-73,78H,5-25,27-29,31-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,35-33-/t71?,72-,73-/m1/s1",RWBPSARYPDPTOD,VFNZAEPZSA,N,CL(16:0/16:0/18:1(9Z)/18:1(11Z)),RWBPSARYPDPTOD-VFNZAEPZSA-N
HMDB56431,1405.00352627,C77H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h33-36,71-73,78H,5-32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-,36-34-/t71?,72-,73-/m1/s1",BEYMPTDFOUBIAH,GWSFHXLZSA,N,CL(16:0/16:0/18:1(9Z)/18:1(9Z)),BEYMPTDFOUBIAH-GWSFHXLZSA-N
HMDB56432,1417.00352627,C78H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,29,34-37,72-74,79H,5-24,26-28,30-33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,36-34-,37-35-/t72?,73-,74-/m1/s1",TZHFJLGNDGPYHX,MSEVZKTMSA,N,"CL(16:0/16:0/18:1(9Z)/18:2(9Z,12Z))",TZHFJLGNDGPYHX-MSEVZKTMSA-N
HMDB56433,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,33-35,37-38,42,50,54,73-75,80H,5-20,22-24,26-32,36,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,37-34-,42-38-,54-50-/t73?,74-,75-/m1/s1",BCXMSYGBUAYUHD,USAWQALXSA,N,"CL(16:0/16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",BCXMSYGBUAYUHD-USAWQALXSA-N
HMDB56434,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,33-35,37-39,44,48,56,60,75-77,82H,5-20,22-24,26-32,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1",GPVPAHCHDSCORA,TXLDTIOYSA,N,"CL(16:0/16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GPVPAHCHDSCORA-TXLDTIOYSA-N
HMDB56435,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33-35,37-39,44,48,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,48-44-/t75?,76-,77-/m1/s1",RZNOCCVLWQLVSS,CYFLTGHLSA,N,"CL(16:0/16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RZNOCCVLWQLVSS-CYFLTGHLSA-N
HMDB56436,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33-35,37-39,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1",BKYXNOWDCMTOGK,SQPFZLSQSA,N,"CL(16:0/16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BKYXNOWDCMTOGK-SQPFZLSQSA-N
HMDB56437,1390.987876206,C76H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C76H144O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,29,34-35,70-72,77H,5-24,26-28,30-33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,35-34-/t70?,71-,72-/m1/s1",RINOMGJSIKDKMM,ZFGYBCSLSA,N,"CL(16:0/16:0/18:2(9Z,12Z)/16:0)",RINOMGJSIKDKMM-ZFGYBCSLSA-N
HMDB56438,1419.019176334,C78H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1",JBXWYIZJVYEMOV,YWSNMHSKSA,N,"CL(16:0/16:0/18:2(9Z,12Z)/18:0)",JBXWYIZJVYEMOV-YWSNMHSKSA-N
HMDB56439,1388.972226142,C76H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C76H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,28-29,32,34-35,70-72,77H,5-24,26-27,30-31,33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,32-28-,35-34-/t70?,71-,72-/m1/s1",SBVGIASCEKJQLY,BMKUMCJWSA,N,"CL(16:0/16:0/18:2(9Z,12Z)/16:1(9Z))",SBVGIASCEKJQLY-BMKUMCJWSA-N
HMDB56440,1417.00352627,C78H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25-26,29-30,35,37,72-74,79H,5-24,27-28,31-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,37-35-/t72?,73-,74-/m1/s1",PMOFRLCNGOTTJS,SVRGAHCTSA,N,"CL(16:0/16:0/18:2(9Z,12Z)/18:1(11Z))",PMOFRLCNGOTTJS-SVRGAHCTSA-N
HMDB56441,1417.00352627,C78H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,29,34-37,72-74,79H,5-24,26-28,30-33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,36-34-,37-35-/t72?,73-,74-/m1/s1",MUMXQIIPKNRDKS,MSEVZKTMSA,N,"CL(16:0/16:0/18:2(9Z,12Z)/18:1(9Z))",MUMXQIIPKNRDKS-MSEVZKTMSA-N
HMDB56442,1429.00352627,C79H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h25-26,29-30,35-38,73-75,80H,5-24,27-28,31-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,37-35-,38-36-/t73?,74-,75-/m1/s1",GBERGSODISAQEM,ZPQQCDBXSA,N,"CL(16:0/16:0/18:2(9Z,12Z)/18:2(9Z,12Z))",GBERGSODISAQEM-ZPQQCDBXSA-N
HMDB56443,1438.987876206,C80H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C80H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-36-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-36,38-39,43,51,55,74-76,81H,5-20,22-24,27-29,31-32,34,37,40-42,44-50,52-54,56-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,35-33-,38-36-,43-39-,55-51-/t74?,75-,76-/m1/s1",QRZVCDSUFXEFHI,JRBCSUHASA,N,"CL(16:0/16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",QRZVCDSUFXEFHI-JRBCSUHASA-N
HMDB56444,1465.00352627,C82H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-36,38-40,45,49,57,61,76-78,83H,5-20,22-24,27-29,31-32,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1",JKLOVDDEYXKGOM,WDGSBVFNSA,N,"CL(16:0/16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JKLOVDDEYXKGOM-WDGSBVFNSA-N
HMDB56445,1465.00352627,C82H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-36,38-40,45,49,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46-48,50-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,49-45-/t76?,77-,78-/m1/s1",DHUPTRNQLQEJSA,WINKBAGRSA,N,"CL(16:0/16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DHUPTRNQLQEJSA-WINKBAGRSA-N
HMDB56446,1462.987876206,C82H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C82H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-36,38-40,45,49,57,61,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1",NQCMBZNCJNHGSW,WSEACMOHSA,N,"CL(16:0/16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NQCMBZNCJNHGSW-WSEACMOHSA-N
HMDB56447,1400.972226142,C77H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,33-34,36,40,46,50,71-73,78H,5-20,22-24,26-32,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1",ZEXMKVRSHXLZMD,ZKHAYMLDSA,N,"CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/16:0)",ZEXMKVRSHXLZMD-ZKHAYMLDSA-N
HMDB56448,1429.00352627,C79H146O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,33,35,38,41,48,52,73-75,80H,5-20,22-24,26-32,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1",UIWFIAVSCFCDJD,FFYPDXASSA,N,"CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/18:0)",UIWFIAVSCFCDJD-FFYPDXASSA-N
HMDB56449,1398.956576078,C77H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,28,32-34,36,40,46,50,71-73,78H,5-20,22-24,26-27,29-31,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,32-28-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1",ORVCUDLFHSLLIF,MQELPAEJSA,N,"CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",ORVCUDLFHSLLIF-MQELPAEJSA-N
HMDB56450,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25-26,30,33,35,38,41,48,52,73-75,80H,5-20,22-24,27-29,31-32,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1",HLJVMYCYVZFLGW,JKQRIXHCSA,N,"CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",HLJVMYCYVZFLGW-JKQRIXHCSA-N
HMDB56451,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,33-35,37-38,41,48,52,73-75,80H,5-20,22-24,26-32,36,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,37-34-,41-38-,52-48-/t73?,74-,75-/m1/s1",QSSSMCXDGWQLTN,CYBJGIJNSA,N,"CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",QSSSMCXDGWQLTN-CYBJGIJNSA-N
HMDB56452,1438.987876206,C80H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C80H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-36-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-36,38-39,42,49,53,74-76,81H,5-20,22-24,27-29,31-32,34,37,40-41,43-48,50-52,54-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,35-33-,38-36-,42-39-,53-49-/t74?,75-,76-/m1/s1",KHSOGEQPICNNOK,NTAQCHFGSA,N,"CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",KHSOGEQPICNNOK-NTAQCHFGSA-N
HMDB56453,1448.972226142,C81H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21-22,25-26,33-36,39-40,43-44,50,52,54,56,75-77,82H,5-20,23-24,27-32,37-38,41-42,45-49,51,53,55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,35-33-,36-34-,43-39-,44-40-,54-50-,56-52-/t75?,76-,77-/m1/s1",UQILVZXAWQBYMW,ZRHNSVDSSA,N,"CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",UQILVZXAWQBYMW-ZRHNSVDSSA-N
HMDB56454,1474.987876206,C83H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h21-22,25-26,33-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-20,23-24,27-32,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1",RIHXXPOMWGSFMV,FQZQSKJASA,N,"CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",RIHXXPOMWGSFMV-FQZQSKJASA-N
HMDB56455,1474.987876206,C83H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,38,40-41,45-46,50,52,56,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47-49,51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-/t77?,78-,79-/m1/s1",GYVRQPOYWNBHLL,DWTUBEAZSA,N,"CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GYVRQPOYWNBHLL-DWTUBEAZSA-N
HMDB56456,1472.972226142,C83H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1",GAPMEOJYKKVDAN,UGUNFPPGSA,N,"CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GAPMEOJYKKVDAN-UGUNFPPGSA-N
HMDB56457,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,33-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,26-32,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1",CDDXSIHEHUGINY,FGGIYDBVSA,N,"CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",CDDXSIHEHUGINY-FGGIYDBVSA-N
HMDB56458,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,26-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1",QJQGACBRHVKWJG,UNUJJJIDSA,N,"CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",QJQGACBRHVKWJG-UNUJJJIDSA-N
HMDB56459,1424.972226142,C79H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,28,32-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,26-27,29-31,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1",MPLRYTHQCZJZHS,LGGCYKMNSA,N,"CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",MPLRYTHQCZJZHS-LGGCYKMNSA-N
HMDB56460,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25-26,30,33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,27-29,31-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1",APBWJCCXIGOTSD,VJDPXPKASA,N,"CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",APBWJCCXIGOTSD-VJDPXPKASA-N
HMDB56461,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,33-35,37-39,43,46,54,58,75-77,82H,5-20,22-24,26-32,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1",NXDYXKWUBXJYMU,AJGSLQEDSA,N,"CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",NXDYXKWUBXJYMU-AJGSLQEDSA-N
HMDB56462,1465.00352627,C82H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-36,38-40,44,47,55,59,76-78,83H,5-20,22-24,27-29,31-32,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1",KGHMVGAKTNUWCH,HKYWEJGQSA,N,"CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",KGHMVGAKTNUWCH-HKYWEJGQSA-N
HMDB56463,1474.987876206,C83H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h21-22,25-26,33-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-20,23-24,27-32,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77?,78-,79-/m1/s1",AVMNHLAOWXOAMU,KEVWGRAHSA,N,"CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",AVMNHLAOWXOAMU-KEVWGRAHSA-N
HMDB56464,1501.00352627,C85H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h21-22,25-26,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-20,23-24,27-32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1",CXGHXBSARGVLFC,AMEXHOBZSA,N,"CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CXGHXBSARGVLFC-AMEXHOBZSA-N
HMDB56465,1501.00352627,C85H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-36,39-42,47-48,50,52,58,62,79-81,86H,5-9,11-13,15-20,23-24,27-32,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1",FBTKHGBMXOWDBR,UHFAWAOWSA,N,"CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FBTKHGBMXOWDBR-UHFAWAOWSA-N
HMDB56466,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-9,11-13,15-20,23-24,27-32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1",WQWPRXPIGGGQRW,QZZKDILISA,N,"CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WQWPRXPIGGGQRW-QZZKDILISA-N
HMDB56467,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,26-32,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1",KPEBYEXXCZFQFH,DQTRDKCUSA,N,"CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",KPEBYEXXCZFQFH-DQTRDKCUSA-N
HMDB56468,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1",GYRUMAVWKKYLPR,HNZDDOIRSA,N,"CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",GYRUMAVWKKYLPR-HNZDDOIRSA-N
HMDB56469,1424.972226142,C79H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,26-27,29-31,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,32-28-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1",XLEJJWABSPKJPQ,NUUCTIMUSA,N,"CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",XLEJJWABSPKJPQ-NUUCTIMUSA-N
HMDB56470,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1",KVFJYOYVLXVQLR,NMEAYZQZSA,N,"CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",KVFJYOYVLXVQLR-NMEAYZQZSA-N
HMDB56471,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33-35,37-39,43,46,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,46-43-/t75?,76-,77-/m1/s1",NZWZBWJXRMHWKK,CCWRDOLMSA,N,"CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",NZWZBWJXRMHWKK-CCWRDOLMSA-N
HMDB56472,1465.00352627,C82H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-36,38-40,44,47,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-43,45-46,48-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,47-44-/t76?,77-,78-/m1/s1",TWUWNBRXISJLJA,BGWAOILZSA,N,"CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",TWUWNBRXISJLJA-BGWAOILZSA-N
HMDB56473,1474.987876206,C83H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,38,40,42,45-46,48,54,58,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,41,43-44,47,49-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-/t77?,78-,79-/m1/s1",VPBDQBQKDSPVKX,HUZMBSEASA,N,"CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",VPBDQBQKDSPVKX-HUZMBSEASA-N
HMDB56474,1501.00352627,C85H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1",OHOJUZMOSQSGTD,CGTIZHQRSA,N,"CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OHOJUZMOSQSGTD-CGTIZHQRSA-N
HMDB56475,1501.00352627,C85H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,50,52,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49,51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-/t79?,80-,81-/m1/s1",PQGNCJTXEBNOHB,PGNIQCFMSA,N,"CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PQGNCJTXEBNOHB-PGNIQCFMSA-N
HMDB56476,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1",QRFRHYNYNYNBIK,GHEVNEBXSA,N,"CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QRFRHYNYNYNBIK-GHEVNEBXSA-N
HMDB56477,1424.972226142,C79H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,26-32,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1",CJRYBSRPNZNNLV,YRZOFFGYSA,N,"CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",CJRYBSRPNZNNLV-YRZOFFGYSA-N
HMDB56478,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33,35,37-38,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1",VVALKGVVKWAERR,QPCZUVDJSA,N,"CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",VVALKGVVKWAERR-QPCZUVDJSA-N
HMDB56479,1422.956576078,C79H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,26-27,29-31,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1",VFUWUETXONMSSE,JMEFHOGNSA,N,"CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",VFUWUETXONMSSE-JMEFHOGNSA-N
HMDB56480,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35,37-38,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1",ZLQWUZQNDWYBDV,VXRUBMPJSA,N,"CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",ZLQWUZQNDWYBDV-VXRUBMPJSA-N
HMDB56481,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33-35,37-39,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1",JCBPYEDNQHMROY,YXYRHKOXSA,N,"CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",JCBPYEDNQHMROY-YXYRHKOXSA-N
HMDB56482,1462.987876206,C82H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C82H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-36,38-40,44,47,55,59,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1",QJLUCAOBKBXAJI,LVYNCHIOSA,N,"CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",QJLUCAOBKBXAJI-LVYNCHIOSA-N
HMDB56483,1472.972226142,C83H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77?,78-,79-/m1/s1",AUOYTWPHDRJARC,LBXDDYCPSA,N,"CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",AUOYTWPHDRJARC-LBXDDYCPSA-N
HMDB56484,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1",JUHSJGHGIRQFPO,NXXGVEPLSA,N,"CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JUHSJGHGIRQFPO-NXXGVEPLSA-N
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HMDB56489,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,29,71-73,78H,5-24,26-28,30-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-/t71?,72-,73-/m1/s1",IFYQTDLZCMDGKL,OXIBHVTNSA,N,CL(16:0/18:0/16:0/18:1(11Z)),IFYQTDLZCMDGKL-OXIBHVTNSA-N
HMDB56490,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h33,35,71-73,78H,5-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-/t71?,72-,73-/m1/s1",BRPFYNAKWGGGDJ,AJMRJSEVSA,N,CL(16:0/18:0/16:0/18:1(9Z)),BRPFYNAKWGGGDJ-AJMRJSEVSA-N
HMDB56491,1419.019176334,C78H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1",KAOFCHFRWZVIRZ,YWSNMHSKSA,N,"CL(16:0/18:0/16:0/18:2(9Z,12Z))",KAOFCHFRWZVIRZ-YWSNMHSKSA-N
HMDB56492,1429.00352627,C79H146O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21,25,33,35,38,42,50,54,73-75,80H,5-20,22-24,26-32,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1",FPNOEHIWWHPAII,FPCPIYQKSA,N,"CL(16:0/18:0/16:0/20:4(5Z,8Z,11Z,14Z))",FPNOEHIWWHPAII-FPCPIYQKSA-N
HMDB56493,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,26-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1",MSQFBTKAVRWESL,TWQBDFPHSA,N,"CL(16:0/18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",MSQFBTKAVRWESL-TWQBDFPHSA-N
HMDB56494,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1",LGGSZOCPFRKLJJ,IRJUARBTSA,N,"CL(16:0/18:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",LGGSZOCPFRKLJJ-IRJUARBTSA-N
HMDB56495,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1",OKBRKAGWMZGZPP,NUPHLBBMSA,N,"CL(16:0/18:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OKBRKAGWMZGZPP-NUPHLBBMSA-N
HMDB56496,1409.034826398,C77H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H150O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h71-73,78H,5-70H2,1-4H3,(H,83,84)(H,85,86)/t71?,72-,73-/m1/s1",DXVRUQLDGFVVRO,PZJXYAHLSA,N,CL(16:0/18:0/18:0/16:0),DXVRUQLDGFVVRO-PZJXYAHLSA-N
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HMDB56514,1435.050476462,C79H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h33,36,73-75,80H,5-32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b36-33-/t73?,74-,75-/m1/s1",WJTUKGISIIKXSO,YUTMTILTSA,N,CL(16:0/18:0/18:1(9Z)/18:0),WJTUKGISIIKXSO-YUTMTILTSA-N
HMDB56515,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h27,31,33,36,73-75,80H,5-26,28-30,32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,36-33-/t73?,74-,75-/m1/s1",ZCAHUHPRWOSMJO,DNBOBREVSA,N,CL(16:0/18:0/18:1(9Z)/18:1(11Z)),ZCAHUHPRWOSMJO-DNBOBREVSA-N
HMDB56516,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h33,35-36,38,73-75,80H,5-32,34,37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b36-33-,38-35-/t73?,74-,75-/m1/s1",STQABLWKUFYLBO,MUQMFZASSA,N,CL(16:0/18:0/18:1(9Z)/18:1(9Z)),STQABLWKUFYLBO-MUQMFZASSA-N
HMDB56517,1419.019176334,C78H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(84,85)90-66-72(79)67-91-97(86,87)93-71-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1",BXEBCAQENHLRHJ,YWSNMHSKSA,N,"CL(16:0/18:0/18:2(9Z,12Z)/16:0)",BXEBCAQENHLRHJ-YWSNMHSKSA-N
HMDB56518,1447.050476462,C80H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C80H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25,29,36,39,74-76,81H,5-24,26-28,30-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,39-36-/t74?,75-,76-/m1/s1",WXTRSRSYGMSZLD,SWXRHCOASA,N,"CL(16:0/18:0/18:2(9Z,12Z)/18:0)",WXTRSRSYGMSZLD-SWXRHCOASA-N
HMDB56519,1457.034826398,C81H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h25-26,29-30,36-37,39-40,75-77,82H,5-24,27-28,31-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-36-,40-37-/t75?,76-,77-/m1/s1",WCDXCMFIOILJEM,QRGGVJDVSA,N,"CL(16:0/18:0/18:2(9Z,12Z)/18:2(9Z,12Z))",WCDXCMFIOILJEM-QRGGVJDVSA-N
HMDB56520,1429.00352627,C79H146O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h21,25,33,35,38,41,48,52,73-75,80H,5-20,22-24,26-32,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1",LCBFOWXMSSDRLJ,FFYPDXASSA,N,"CL(16:0/18:0/20:4(5Z,8Z,11Z,14Z)/16:0)",LCBFOWXMSSDRLJ-FFYPDXASSA-N
HMDB56521,1457.034826398,C81H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25,33,36,40,42,50,54,75-77,82H,5-20,22-24,26-32,34-35,37-39,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,42-40-,54-50-/t75?,76-,77-/m1/s1",BQWWERNQVCBKLI,GHDXRDBKSA,N,"CL(16:0/18:0/20:4(5Z,8Z,11Z,14Z)/18:0)",BQWWERNQVCBKLI-GHDXRDBKSA-N
HMDB56522,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-37,41-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,27-32,35,38-40,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1",HRHBMYLZKFPKFL,KIVNWWCSSA,N,"CL(16:0/18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",HRHBMYLZKFPKFL-KIVNWWCSSA-N
HMDB56523,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,26-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1",XXVIVBQLGOBWGF,UNUJJJIDSA,N,"CL(16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",XXVIVBQLGOBWGF-UNUJJJIDSA-N
HMDB56524,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25,33,36,38-39,44,48,56,60,77-79,84H,5-20,22-24,26-32,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,48-44-,60-56-/t77?,78-,79-/m1/s1",RGXZTFOEYVQHPM,XIERZDLASA,N,"CL(16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",RGXZTFOEYVQHPM-XIERZDLASA-N
HMDB56525,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27-32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1",ROORCMBZKGZSHQ,CTCXIVFLSA,N,"CL(16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ROORCMBZKGZSHQ-CTCXIVFLSA-N
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HMDB56545,1348.940926014,C73H138O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C73H138O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,67-69,74H,5-24,26-27,30-31,33-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-,32-28-/t67?,68-,69-/m1/s1",SPYQSVPSEXFEMA,TZCLFVLNSA,N,CL(16:0/16:1(9Z)/16:1(9Z)/16:0),SPYQSVPSEXFEMA-TZCLFVLNSA-N
HMDB56546,1376.972226142,C75H142O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27-28,31-32,69-71,76H,5-26,29-30,33-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-,32-28-/t69?,70-,71-/m1/s1",MDSDTDVAYRPAIR,YWSYIYLBSA,N,CL(16:0/16:1(9Z)/16:1(9Z)/18:0),MDSDTDVAYRPAIR-YWSYIYLBSA-N
HMDB56547,1346.92527595,C73H136O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C73H136O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,67-69,74H,5-24,26,30,33-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-,31-27-,32-28-/t67?,68-,69-/m1/s1",VBKVDKSJQJMNLZ,GBHMDAQGSA,N,CL(16:0/16:1(9Z)/16:1(9Z)/16:1(9Z)),VBKVDKSJQJMNLZ-GBHMDAQGSA-N
HMDB56548,1374.956576078,C75H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,27-29,31-32,69-71,76H,5-24,26,30,33-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,31-27-,32-28-/t69?,70-,71-/m1/s1",BPFNXVVSANUGNR,OHJFPDROSA,N,CL(16:0/16:1(9Z)/16:1(9Z)/18:1(11Z)),BPFNXVVSANUGNR-OHJFPDROSA-N
HMDB56549,1374.956576078,C75H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27-28,31-34,69-71,76H,5-26,29-30,35-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-,32-28-,34-33-/t69?,70-,71-/m1/s1",UNCDNNMJUAILFO,BUDUAOGGSA,N,CL(16:0/16:1(9Z)/16:1(9Z)/18:1(9Z)),UNCDNNMJUAILFO-BUDUAOGGSA-N
HMDB56550,1386.956576078,C76H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C76H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,27-29,31-32,34-35,70-72,77H,5-24,26,30,33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,31-27-,32-28-,35-34-/t70?,71-,72-/m1/s1",IXIZIEJQJJDCKU,UNJCZQCSSA,N,"CL(16:0/16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))",IXIZIEJQJJDCKU-UNJCZQCSSA-N
HMDB56551,1396.940926014,C77H138O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C77H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,40,48,52,71-73,78H,5-20,22-24,26,29-30,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,31-27-,32-28-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1",CQINZOAGEJKHFV,RZSHNOHFSA,N,"CL(16:0/16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",CQINZOAGEJKHFV-RZSHNOHFSA-N
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HMDB56575,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,27,29-31,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1",MDHARYAKWGFPOH,PMFFJCSPSA,N,"CL(16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MDHARYAKWGFPOH-PMFFJCSPSA-N
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HMDB56583,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,38,42,50,54,73-75,80H,5-20,22-24,27-29,31-32,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1",RAMFFLZBORQNMV,OJYWNVCGSA,N,"CL(16:0/18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))",RAMFFLZBORQNMV-OJYWNVCGSA-N
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HMDB56585,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1",GAMWVNGQGLJTDJ,YZAQPDDMSA,N,"CL(16:0/18:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",GAMWVNGQGLJTDJ-YZAQPDDMSA-N
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HMDB56590,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,30,35,38,73-75,80H,5-25,27-29,31-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,38-35-/t73?,74-,75-/m1/s1",LULUTNPREHTLCV,LNXYVIGDSA,N,CL(16:0/18:1(11Z)/18:0/18:1(9Z)),LULUTNPREHTLCV-LNXYVIGDSA-N
HMDB56591,1376.972226142,C75H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25-26,29-30,69-71,76H,5-24,27-28,31-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,30-26-/t69?,70-,71-/m1/s1",FOSJAFRRBSYLOX,BEEZKOMNSA,N,CL(16:0/18:1(11Z)/16:1(9Z)/16:0),FOSJAFRRBSYLOX-BEEZKOMNSA-N
HMDB56592,1374.956576078,C75H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25-26,28-30,32,69-71,76H,5-24,27,31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,30-26-,32-28-/t69?,70-,71-/m1/s1",XNAJMQDQAGVWSM,NHTSMXFXSA,N,CL(16:0/18:1(11Z)/16:1(9Z)/16:1(9Z)),XNAJMQDQAGVWSM-NHTSMXFXSA-N
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HMDB56609,1431.019176334,C79H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,30,33,35-36,38,73-75,80H,5-25,27-29,31-32,34,37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,36-33-,38-35-/t73?,74-,75-/m1/s1",YDHPREFNVGBEFI,SOTCARQOSA,N,CL(16:0/18:1(11Z)/18:1(9Z)/18:1(9Z)),YDHPREFNVGBEFI-SOTCARQOSA-N
HMDB56610,1443.019176334,C80H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25,27,29,31,34,36-37,39,74-76,81H,5-24,26,28,30,32-33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,37-34-,39-36-/t74?,75-,76-/m1/s1",YZHMPHSNTXSNBN,NBUALDQPSA,N,"CL(16:0/18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))",YZHMPHSNTXSNBN-NBUALDQPSA-N
HMDB56611,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25,27,31,33-34,36,38,40,44,52,56,75-77,82H,5-20,22-24,26,28-30,32,35,37,39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,36-33-,38-34-,44-40-,56-52-/t75?,76-,77-/m1/s1",URHVBLCKEMPZQV,BNTKTXRSSA,N,"CL(16:0/18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",URHVBLCKEMPZQV-BNTKTXRSSA-N
HMDB56612,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,25,27,31,33-34,36,38-40,46,50,58,62,77-79,84H,5-20,22-24,26,28-30,32,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1",BOYXENWFSUPMPW,BSLWEZSXSA,N,"CL(16:0/18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BOYXENWFSUPMPW-BSLWEZSXSA-N
HMDB56613,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,27,31,33-34,36,38-40,46,50,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,50-46-/t77?,78-,79-/m1/s1",NAZYXTBDMWDOTC,NWZSIKDGSA,N,"CL(16:0/18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",NAZYXTBDMWDOTC-NWZSIKDGSA-N
HMDB56614,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,27,31,33-34,36,38-40,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1",DOFOIYFRSJJVIX,ZITMMXLBSA,N,"CL(16:0/18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DOFOIYFRSJJVIX-ZITMMXLBSA-N
HMDB56615,1417.00352627,C78H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(84,85)90-66-72(79)67-91-97(86,87)93-71-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37,72-74,79H,5-24,27-28,31-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,37-35-/t72?,73-,74-/m1/s1",XBZZGTPXYQBMKL,SVRGAHCTSA,N,"CL(16:0/18:1(11Z)/18:2(9Z,12Z)/16:0)",XBZZGTPXYQBMKL-SVRGAHCTSA-N
HMDB56616,1443.019176334,C80H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36,39,74-76,81H,5-24,28,32-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,39-36-/t74?,75-,76-/m1/s1",RVWKGGLFJZFFHW,KWDXBUFOSA,N,"CL(16:0/18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))",RVWKGGLFJZFFHW-KWDXBUFOSA-N
HMDB56617,1443.019176334,C80H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-36,38-39,74-76,81H,5-24,27-28,31-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,38-35-,39-36-/t74?,75-,76-/m1/s1",FZXQJNNFVOIITF,HYKYWNKUSA,N,"CL(16:0/18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))",FZXQJNNFVOIITF-HYKYWNKUSA-N
HMDB56618,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h25-27,29-31,36-37,39-40,75-77,82H,5-24,28,32-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,39-36-,40-37-/t75?,76-,77-/m1/s1",AIUBHGVAXRJPIO,LEUSLCMRSA,N,"CL(16:0/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",AIUBHGVAXRJPIO-LEUSLCMRSA-N
HMDB56619,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,38,41,48,52,73-75,80H,5-20,22-24,27-29,31-32,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1",GXGWGSRQZJXBTK,JKQRIXHCSA,N,"CL(16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/16:0)",GXGWGSRQZJXBTK-JKQRIXHCSA-N
HMDB56620,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,40,42,50,54,75-77,82H,5-20,22-24,28-29,32,34-35,37-39,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,36-33-,42-40-,54-50-/t75?,76-,77-/m1/s1",QLQHEAZWEQJMKL,ACMVLBNGSA,N,"CL(16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",QLQHEAZWEQJMKL-ACMVLBNGSA-N
HMDB56621,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,39-40,42,50,54,75-77,82H,5-20,22-24,27-29,31-32,34,37-38,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,36-33-,39-35-,42-40-,54-50-/t75?,76-,77-/m1/s1",AUMNDBOWUQKAHI,VCCCVPNPSA,N,"CL(16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",AUMNDBOWUQKAHI-VCCCVPNPSA-N
HMDB56622,1474.987876206,C83H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-37,41-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,28-30,32,35,38-40,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,36-33-,37-34-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1",OGSRPLKKZOEDHF,WBMFSJBVSA,N,"CL(16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",OGSRPLKKZOEDHF-WBMFSJBVSA-N
HMDB56623,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,27-29,31-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1",JXVUWJIRQOMWIU,VJDPXPKASA,N,"CL(16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",JXVUWJIRQOMWIU-VJDPXPKASA-N
HMDB56624,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,38-39,44,48,56,60,77-79,84H,5-20,22-24,28-29,32,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,39-38-,48-44-,60-56-/t77?,78-,79-/m1/s1",WJPKAIQZEWBSJA,VYSUZXLUSA,N,"CL(16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",WJPKAIQZEWBSJA-VYSUZXLUSA-N
HMDB56625,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,41,44,48,56,60,77-79,84H,5-20,22-24,27-29,31-32,34,37,40,42-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,36-33-,39-38-,41-35-,48-44-,60-56-/t77?,78-,79-/m1/s1",RFIOHXDLHHFLAP,VESHSQDHSA,N,"CL(16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",RFIOHXDLHHFLAP-VESHSQDHSA-N
HMDB56626,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1",AALWDPYVOUKQCW,HRUMJSJRSA,N,"CL(16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AALWDPYVOUKQCW-HRUMJSJRSA-N
HMDB56627,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1",GLXPFPKSQDGTNV,NXGODBJZSA,N,"CL(16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GLXPFPKSQDGTNV-NXGODBJZSA-N
HMDB56628,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1",DDCIVYSQVFUPNO,NMEAYZQZSA,N,"CL(16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",DDCIVYSQVFUPNO-NMEAYZQZSA-N
HMDB56629,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,44,48,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,48-44-/t77?,78-,79-/m1/s1",DNTJPXHUAOGNBH,CQWPFNBNSA,N,"CL(16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",DNTJPXHUAOGNBH-CQWPFNBNSA-N
HMDB56630,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,44,48,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,48-44-/t77?,78-,79-/m1/s1",ILFQIPBTFWQPHJ,KZRFSIQSSA,N,"CL(16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",ILFQIPBTFWQPHJ-KZRFSIQSSA-N
HMDB56631,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1",KUWIGYJNVPBFQY,XNYONDIVSA,N,"CL(16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KUWIGYJNVPBFQY-XNYONDIVSA-N
HMDB56632,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-/t81?,82-,83-/m1/s1",GAIZDQRMYJIZMM,GSKYVLELSA,N,"CL(16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GAIZDQRMYJIZMM-GSKYVLELSA-N
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HMDB56634,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,48-44-,60-56-/t77?,78-,79-/m1/s1",QBNRNJIFXHAWKE,LBQGDPCFSA,N,"CL(16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",QBNRNJIFXHAWKE-LBQGDPCFSA-N
HMDB56635,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,48-44-,60-56-/t77?,78-,79-/m1/s1",MXUNSOKVYFFDHJ,CTPNGYSDSA,N,"CL(16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",MXUNSOKVYFFDHJ-CTPNGYSDSA-N
HMDB56636,1522.987876206,C87H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1",IIYVNUVGFDSVAN,PLQQOGJOSA,N,"CL(16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IIYVNUVGFDSVAN-PLQQOGJOSA-N
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HMDB56638,1417.00352627,C78H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,29,34-37,72-74,79H,5-24,26-28,30-33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,36-34-,37-35-/t72?,73-,74-/m1/s1",MJMKNTZZLHFDHD,MSEVZKTMSA,N,"CL(16:0/18:1(9Z)/16:0/18:2(9Z,12Z))",MJMKNTZZLHFDHD-MSEVZKTMSA-N
HMDB56639,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-38,42,50,54,73-75,80H,5-20,22-24,26-32,36,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,37-34-,42-38-,54-50-/t73?,74-,75-/m1/s1",FUZQNIYCSTWCRK,USAWQALXSA,N,"CL(16:0/18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))",FUZQNIYCSTWCRK-USAWQALXSA-N
HMDB56640,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-39,44,48,56,60,75-77,82H,5-20,22-24,26-32,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1",BYSQAGIBCZKAGY,TXLDTIOYSA,N,"CL(16:0/18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",BYSQAGIBCZKAGY-TXLDTIOYSA-N
HMDB56641,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37-39,44,48,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,48-44-/t75?,76-,77-/m1/s1",HDJKNBJFGPHJMG,CYFLTGHLSA,N,"CL(16:0/18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",HDJKNBJFGPHJMG-CYFLTGHLSA-N
HMDB56642,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37-39,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1",CJHXESQCPMPJNX,SQPFZLSQSA,N,"CL(16:0/18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CJHXESQCPMPJNX-SQPFZLSQSA-N
HMDB56643,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h34,36,71-73,78H,5-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b36-34-/t71?,72-,73-/m1/s1",SMSRAEVFQCDYGM,QUXFPOTKSA,N,CL(16:0/18:1(9Z)/18:0/16:0),SMSRAEVFQCDYGM-QUXFPOTKSA-N
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HMDB56686,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,44,48,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,48-44-/t77?,78-,79-/m1/s1",DCQVPCUPTVYFAM,PAAITWGLSA,N,"CL(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",DCQVPCUPTVYFAM-PAAITWGLSA-N
HMDB56687,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-37,40-44,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,38-39,45-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1",KQGXOUQPYZTVBI,ZASYCZAPSA,N,"CL(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KQGXOUQPYZTVBI-ZASYCZAPSA-N
HMDB56688,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-37,40-44,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-/t81?,82-,83-/m1/s1",KIOIYVNCOITWOT,GWFWDDLUSA,N,"CL(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KIOIYVNCOITWOT-GWFWDDLUSA-N
HMDB56689,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37-39,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1",KSFIHEDDIJJDDD,YXYRHKOXSA,N,"CL(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",KSFIHEDDIJJDDD-YXYRHKOXSA-N
HMDB56690,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,48-44-,60-56-/t77?,78-,79-/m1/s1",XPZRQSYQPOFBHG,BVGUJMFDSA,N,"CL(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",XPZRQSYQPOFBHG-BVGUJMFDSA-N
HMDB56691,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,48-44-,60-56-/t77?,78-,79-/m1/s1",LKTZQZJCAZKHFV,IJPJOUSZSA,N,"CL(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",LKTZQZJCAZKHFV-IJPJOUSZSA-N
HMDB56692,1522.987876206,C87H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-37,40-44,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1",AWHHZIWLEZDJMP,KPENKWBQSA,N,"CL(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",AWHHZIWLEZDJMP-KPENKWBQSA-N
HMDB56693,1429.00352627,C79H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-38,73-75,80H,5-24,27-28,31-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,37-35-,38-36-/t74-,75-/m1/s1",WWEIKNAEDSXOCT,VFEGVXCLSA,N,"CL(16:0/18:2(9Z,12Z)/16:0/18:2(9Z,12Z))",WWEIKNAEDSXOCT-VFEGVXCLSA-N
HMDB56694,1438.987876206,C80H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C80H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,43,51,55,74-76,81H,5-20,22-24,27-29,31-32,34,37,40-42,44-50,52-54,56-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,35-33-,38-36-,43-39-,55-51-/t74?,75-,76-/m1/s1",GDXXMSAVHNURGZ,JRBCSUHASA,N,"CL(16:0/18:2(9Z,12Z)/16:0/20:4(5Z,8Z,11Z,14Z))",GDXXMSAVHNURGZ-JRBCSUHASA-N
HMDB56695,1465.00352627,C82H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-40,45,49,57,61,76-78,83H,5-20,22-24,27-29,31-32,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1",HALRLXIMBGLYSZ,WDGSBVFNSA,N,"CL(16:0/18:2(9Z,12Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",HALRLXIMBGLYSZ-WDGSBVFNSA-N
HMDB56696,1465.00352627,C82H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,45,49,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46-48,50-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,49-45-/t76?,77-,78-/m1/s1",YWTMYJALENHUOI,WINKBAGRSA,N,"CL(16:0/18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",YWTMYJALENHUOI-WINKBAGRSA-N
HMDB56697,1462.987876206,C82H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C82H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,45,49,57,61,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1",KFLAKRVSCYICDP,WSEACMOHSA,N,"CL(16:0/18:2(9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KFLAKRVSCYICDP-WSEACMOHSA-N
HMDB56698,1419.019176334,C78H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1",LOQUGMPYNGRGJF,YWSNMHSKSA,N,"CL(16:0/18:2(9Z,12Z)/18:0/16:0)",LOQUGMPYNGRGJF-YWSNMHSKSA-N
HMDB56699,1447.050476462,C80H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C80H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,29,36,39,74-76,81H,5-24,26-28,30-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,39-36-/t74?,75-,76-/m1/s1",NTJYPRFGKNVMQV,SWXRHCOASA,N,"CL(16:0/18:2(9Z,12Z)/18:0/18:0)",NTJYPRFGKNVMQV-SWXRHCOASA-N
HMDB56700,1457.034826398,C81H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,36-37,39-40,75-77,82H,5-24,27-28,31-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-36-,40-37-/t75?,76-,77-/m1/s1",ULAWMHRSQYSJDT,QRGGVJDVSA,N,"CL(16:0/18:2(9Z,12Z)/18:0/18:2(9Z,12Z))",ULAWMHRSQYSJDT-QRGGVJDVSA-N
HMDB56701,1388.972226142,C76H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C76H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25-26,29-30,34-35,70-72,77H,5-24,27-28,31-33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,30-26-,35-34-/t70?,71-,72-/m1/s1",IBODCNLVYAKWNN,IVRAALMYSA,N,"CL(16:0/18:2(9Z,12Z)/16:1(9Z)/16:0)",IBODCNLVYAKWNN-IVRAALMYSA-N
HMDB56702,1386.956576078,C76H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C76H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25-26,28-30,32,34-35,70-72,77H,5-24,27,31,33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,30-26-,32-28-,35-34-/t70?,71-,72-/m1/s1",MKCXFRLHOXVAOX,SGXWNWONSA,N,"CL(16:0/18:2(9Z,12Z)/16:1(9Z)/16:1(9Z))",MKCXFRLHOXVAOX-SGXWNWONSA-N
HMDB56703,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h25-27,29-31,35-38,73-75,80H,5-24,28,32-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-,37-35-,38-36-/t73?,74-,75-/m1/s1",RMKCWNTWRSNOPU,GWWAVLPTSA,N,"CL(16:0/18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z))",RMKCWNTWRSNOPU-GWWAVLPTSA-N
HMDB56704,1417.00352627,C78H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37,72-74,79H,5-24,27-28,31-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,37-35-/t72?,73-,74-/m1/s1",WNUAGJPUYWNOKZ,SVRGAHCTSA,N,"CL(16:0/18:2(9Z,12Z)/18:1(11Z)/16:0)",WNUAGJPUYWNOKZ-SVRGAHCTSA-N
HMDB56705,1443.019176334,C80H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36,39,74-76,81H,5-24,28,32-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,39-36-/t74?,75-,76-/m1/s1",UZKPQYMVRPSPIA,KWDXBUFOSA,N,"CL(16:0/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))",UZKPQYMVRPSPIA-KWDXBUFOSA-N
HMDB56706,1443.019176334,C80H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-36,38-39,74-76,81H,5-24,27-28,31-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,38-35-,39-36-/t74?,75-,76-/m1/s1",PBSMLXJZVPNXDI,HYKYWNKUSA,N,"CL(16:0/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))",PBSMLXJZVPNXDI-HYKYWNKUSA-N
HMDB56707,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-37,39-40,75-77,82H,5-24,28,32-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,39-36-,40-37-/t75?,76-,77-/m1/s1",NBHJTHQECMMDOL,LEUSLCMRSA,N,"CL(16:0/18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))",NBHJTHQECMMDOL-LEUSLCMRSA-N
HMDB56708,1417.00352627,C78H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2/h25,29,34-37,72-74,79H,5-24,26-28,30-33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,36-34-,37-35-/t72?,73-,74-/m1/s1",PCGHLOXUKJPDNP,MSEVZKTMSA,N,"CL(16:0/18:2(9Z,12Z)/18:1(9Z)/16:0)",PCGHLOXUKJPDNP-MSEVZKTMSA-N
HMDB56709,1443.019176334,C80H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36-37,39,74-76,81H,5-24,26,28,30,32-33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,37-34-,39-36-/t74?,75-,76-/m1/s1",HRFCODWQHFLJGQ,NBUALDQPSA,N,"CL(16:0/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))",HRFCODWQHFLJGQ-NBUALDQPSA-N
HMDB56710,1443.019176334,C80H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,29,34-39,74-76,81H,5-24,26-28,30-33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1",ANECNDOMMPJTEV,MFZPDDAQSA,N,"CL(16:0/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))",ANECNDOMMPJTEV-MFZPDDAQSA-N
HMDB56711,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-40,75-77,82H,5-24,27-28,31-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1",BMMMYMGFZRIFMS,YHELMYTASA,N,"CL(16:0/18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z))",BMMMYMGFZRIFMS-YHELMYTASA-N
HMDB56712,1429.00352627,C79H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-38,73-75,80H,5-24,27-28,31-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,37-35-,38-36-/t73?,74-,75-/m1/s1",PCGZISZHIOIULN,ZPQQCDBXSA,N,"CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)",PCGZISZHIOIULN-ZPQQCDBXSA-N
HMDB56713,1457.034826398,C81H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,36-37,39-40,75-77,82H,5-24,27-28,31-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-36-,40-37-/t75?,76-,77-/m1/s1",QASKYYDEERNHFL,QRGGVJDVSA,N,"CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:0)",QASKYYDEERNHFL-QRGGVJDVSA-N
HMDB56714,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-38,73-75,80H,5-24,27,31,33-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,32-28-,37-35-,38-36-/t73?,74-,75-/m1/s1",PFPIMFCETBLREM,ZLOOXMDXSA,N,"CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))",PFPIMFCETBLREM-ZLOOXMDXSA-N
HMDB56715,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-37,39-40,75-77,82H,5-24,28,32-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,39-36-,40-37-/t75?,76-,77-/m1/s1",VZOMQIJGVZIOCI,LEUSLCMRSA,N,"CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))",VZOMQIJGVZIOCI-LEUSLCMRSA-N
HMDB56716,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-40,75-77,82H,5-24,27-28,31-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1",QCZCERMESZZCAK,YHELMYTASA,N,"CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))",QCZCERMESZZCAK-YHELMYTASA-N
HMDB56717,1467.019176334,C82H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C82H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-41,76-78,83H,5-24,28,32-35,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,39-36-,40-37-,41-38-/t76?,77-,78-/m1/s1",NXAVRQNGMMSMDU,VRHATNRSSA,N,"CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",NXAVRQNGMMSMDU-VRHATNRSSA-N
HMDB56718,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36-38,40-42,46,54,58,77-79,84H,5-20,22-24,28-29,32,34-35,39,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,40-37-,41-38-,46-42-,58-54-/t77?,78-,79-/m1/s1",NUGQRRHOWNOVMI,WLXMUHIQSA,N,"CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",NUGQRRHOWNOVMI-WLXMUHIQSA-N
HMDB56719,1503.019176334,C85H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36-38,40-43,48,52,60,64,79-81,86H,5-20,22-24,28-29,32,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1",IFNKWCQUAWVWAY,IUCIPVSTSA,N,"CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IFNKWCQUAWVWAY-IUCIPVSTSA-N
HMDB56720,1503.019176334,C85H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36-38,40-43,48,52,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-/t79?,80-,81-/m1/s1",FMOLNVWPTMPUJC,PEINDQGCSA,N,"CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FMOLNVWPTMPUJC-PEINDQGCSA-N
HMDB56721,1501.00352627,C85H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36-38,40-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1",PBKVYORZMVJJHV,XBHKBDSOSA,N,"CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PBKVYORZMVJJHV-XBHKBDSOSA-N
HMDB56722,1438.987876206,C80H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C80H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-42-45-49-53-57-61-65-78(83)91-71-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-38-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,42,49,53,74-76,81H,5-20,22-24,27-29,31-32,34,37,40-41,43-48,50-52,54-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,35-33-,38-36-,42-39-,53-49-/t74?,75-,76-/m1/s1",KEYJXONCHYHYIK,NTAQCHFGSA,N,"CL(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/16:0)",KEYJXONCHYHYIK-NTAQCHFGSA-N
HMDB56723,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-42,44,52,56,77-79,84H,5-20,22-24,28-29,32,34-35,39,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,40-37-,41-38-,44-42-,56-52-/t77?,78-,79-/m1/s1",BMHINXFQDZYIDY,AKXGROESSA,N,"CL(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",BMHINXFQDZYIDY-AKXGROESSA-N
HMDB56724,1486.987876206,C84H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C84H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-38,41-43,45,47,53,55,57,59,78-80,85H,5-20,23-24,28-30,32,35,39-40,44,46,48-52,54,56,58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,36-33-,37-34-,41-38-,45-42-,47-43-,57-53-,59-55-/t78?,79-,80-/m1/s1",DGGIRQAHAWBPNE,BCXNNTFUSA,N,"CL(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",DGGIRQAHAWBPNE-BCXNNTFUSA-N
HMDB56725,1465.00352627,C82H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-40,44,47,55,59,76-78,83H,5-20,22-24,27-29,31-32,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1",DEUVWRHRLRDPPP,HKYWEJGQSA,N,"CL(16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",DEUVWRHRLRDPPP-HKYWEJGQSA-N
HMDB56726,1503.019176334,C85H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-43,46,50,58,62,79-81,86H,5-20,22-24,28-29,32,34-35,39,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-46-,62-58-/t79?,80-,81-/m1/s1",TVRQAWARAQFKLA,KEWKOFQLSA,N,"CL(16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",TVRQAWARAQFKLA-KEWKOFQLSA-N
HMDB56727,1539.019176334,C88H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,61,63,65,67,82-84,89H,5-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1",ZBNUNHUZTRTXHC,PVWGMFIHSA,N,"CL(16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZBNUNHUZTRTXHC-PVWGMFIHSA-N
HMDB56728,1539.019176334,C88H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,61,65,82-84,89H,5-9,11-13,15-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-/t82?,83-,84-/m1/s1",MTVYWMFHNBTNAU,AQYXLKPHSA,N,"CL(16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MTVYWMFHNBTNAU-AQYXLKPHSA-N
HMDB56729,1465.00352627,C82H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,44,47,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-43,45-46,48-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,47-44-/t76?,77-,78-/m1/s1",MJGJWVMSCDTBMR,BGWAOILZSA,N,"CL(16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",MJGJWVMSCDTBMR-BGWAOILZSA-N
HMDB56730,1503.019176334,C85H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,46,50,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-46-/t79?,80-,81-/m1/s1",OSPJEXOVGXHSEW,OFCSIYHWSA,N,"CL(16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",OSPJEXOVGXHSEW-OFCSIYHWSA-N
HMDB56731,1539.019176334,C88H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,63,67,82-84,89H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,67-63-/t82?,83-,84-/m1/s1",INMYIXPYXDWBQB,PGBPYOPGSA,N,"CL(16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",INMYIXPYXDWBQB-PGBPYOPGSA-N
HMDB56732,1539.019176334,C88H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-/t82?,83-,84-/m1/s1",ZCGJCQSLHYAFSA,ULNKTMQESA,N,"CL(16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZCGJCQSLHYAFSA-ULNKTMQESA-N
HMDB56733,1462.987876206,C82H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C82H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,44,47,55,59,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1",LIHJGOOJWGMXPR,LVYNCHIOSA,N,"CL(16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",LIHJGOOJWGMXPR-LVYNCHIOSA-N
HMDB56734,1501.00352627,C85H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-46-,62-58-/t79?,80-,81-/m1/s1",NMEZZGMYDBUCDY,GOPKPGRISA,N,"CL(16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",NMEZZGMYDBUCDY-GOPKPGRISA-N
HMDB56735,1534.987876206,C88H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C88H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,61,63,65,67,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1",ARJXLALRLNMABI,BSWQTIGBSA,N,"CL(16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ARJXLALRLNMABI-BSWQTIGBSA-N
HMDB56736,1448.972226142,C81H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,39-40,43-44,51-52,55-56,75-77,82H,5-20,23-24,27-32,37-38,41-42,45-50,53-54,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,35-33-,36-34-,43-39-,44-40-,55-51-,56-52-/t76-,77-/m1/s1",CDZREDJCDSWYJA,RXBVTRGHSA,N,"CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z))",CDZREDJCDSWYJA-RXBVTRGHSA-N
HMDB56737,1474.987876206,C83H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-41-39-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,38,40-41,45-46,50,53,57-58,62,77-79,84H,5-20,23-24,27-32,37,39,42-44,47-49,51-52,54-56,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,57-53-,62-58-/t77?,78-,79-/m1/s1",MKPCEFKSEYDIPJ,DKTKAHMCSA,N,"CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",MKPCEFKSEYDIPJ-DKTKAHMCSA-N
HMDB56738,1474.987876206,C83H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40-41,45-46,50,53,57,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47-49,51-52,54-56,58-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,57-53-/t77?,78-,79-/m1/s1",KOHWYRMXXQZSKR,NRRWZHHYSA,N,"CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))",KOHWYRMXXQZSKR-NRRWZHHYSA-N
HMDB56739,1472.972226142,C83H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40-41,45-46,50,53,57-58,62,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47-49,51-52,54-56,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,57-53-,62-58-/t77?,78-,79-/m1/s1",YTRPFBRPCSRAJT,KWWPPNSTSA,N,"CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YTRPFBRPCSRAJT-KWWPPNSTSA-N
HMDB56740,1429.00352627,C79H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21,25,33,35,38,42,50,54,73-75,80H,5-20,22-24,26-32,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1",ONUAZUKFBWXEGY,FPCPIYQKSA,N,"CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:0/16:0)",ONUAZUKFBWXEGY-FPCPIYQKSA-N
HMDB56741,1457.034826398,C81H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25,33,36,40,44,52,56,75-77,82H,5-20,22-24,26-32,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1",PCNORRXJAKSFTA,DDQSJOORSA,N,"CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:0/18:0)",PCNORRXJAKSFTA-DDQSJOORSA-N
HMDB56742,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-37,41-42,45-46,53-54,57-58,77-79,84H,5-20,23-24,27-32,35,38-40,43-44,47-52,55-56,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,45-41-,46-42-,57-53-,58-54-/t77?,78-,79-/m1/s1",GWXRANXSWWUOKP,COWRGXTHSA,N,"CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z))",GWXRANXSWWUOKP-COWRGXTHSA-N
HMDB56743,1398.956576078,C77H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-26,30,33-34,36,40,48,52,71-73,78H,5-20,22-24,27-29,31-32,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1",FJKRRNHETVSYEF,RXVJICJGSA,N,"CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/16:0)",FJKRRNHETVSYEF-RXVJICJGSA-N
HMDB56744,1396.940926014,C77H138O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C77H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-34,36,40,48,52,71-73,78H,5-20,22-24,27,29,31,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,32-28-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1",FZKNUWZGIIASBA,WMQLYSEDSA,N,"CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/16:1(9Z))",FZKNUWZGIIASBA-WMQLYSEDSA-N
HMDB56745,1446.956576078,C81H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-36,39-40,43-44,51-52,55-56,75-77,82H,5-20,23-24,28-30,32,37-38,41-42,45-50,53-54,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,31-27-,35-33-,36-34-,43-39-,44-40-,55-51-,56-52-/t75?,76-,77-/m1/s1",YEZBPRRZZDXHCU,FYIUCUJISA,N,"CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",YEZBPRRZZDXHCU-FYIUCUJISA-N
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HMDB56747,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,40,44,52,56,75-77,82H,5-20,22-24,28-29,32,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1",KFQXGCZSDCCVNE,ZWGPYZCLSA,N,"CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))",KFQXGCZSDCCVNE-ZWGPYZCLSA-N
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HMDB56780,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,39-42,47-48,51-52,59-60,63-64,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,49-50,53-58,61-62,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-,64-60-/t79?,80-,81-/m1/s1",BHBSYAVXUSBRAP,KPHMZWIGSA,N,"CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BHBSYAVXUSBRAP-KPHMZWIGSA-N
HMDB56781,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,26-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1",HFGLYFVRXSYXIF,TWQBDFPHSA,N,"CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/16:0)",HFGLYFVRXSYXIF-TWQBDFPHSA-N
HMDB56782,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1",NWJSHMHCKCHMJP,XUDUNJBJSA,N,"CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/18:0)",NWJSHMHCKCHMJP-XUDUNJBJSA-N
HMDB56783,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-37,40-43,49-50,53-54,61-62,65-66,81-83,88H,5-20,23-24,27-32,35,38-39,44-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1",ZKGWFOTZVPNGFN,RBPCGKKWSA,N,"CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",ZKGWFOTZVPNGFN-RBPCGKKWSA-N
HMDB56784,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-34,36-37,40-43,49-50,53-54,61,65,81-83,88H,5-9,11-13,15-20,23-24,27-32,35,38-39,44-48,51-52,55-60,62-64,66-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-/t81?,82-,83-/m1/s1",BBEKFDXUQSSSTL,KBEJUEADSA,N,"CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",BBEKFDXUQSSSTL-KBEJUEADSA-N
HMDB56785,1424.972226142,C79H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-26,30,33-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,27-29,31-32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1",BGDJJSAZRQUOFK,NJYVIUGBSA,N,"CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/16:0)",BGDJJSAZRQUOFK-NJYVIUGBSA-N
HMDB56786,1422.956576078,C79H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,27,29,31,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,32-28-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1",MAWIOFCWPFWBND,XQZJNMDOSA,N,"CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/16:1(9Z))",MAWIOFCWPFWBND-XQZJNMDOSA-N
HMDB56787,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-36,39-42,47-48,51-52,59-60,63-64,79-81,86H,5-20,23-24,28-30,32,37-38,43-46,49-50,53-58,61-62,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-,64-60-/t79?,80-,81-/m1/s1",NCRCAIHMKSVXJQ,IWQXQBJBSA,N,"CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",NCRCAIHMKSVXJQ-IWQXQBJBSA-N
HMDB56788,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-36,39-42,47-48,51-52,60,64,79-81,86H,5-8,10-12,14-20,23-24,28-30,32,37-38,43-46,49-50,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,64-60-/t79?,80-,81-/m1/s1",TXHAZOCNJYWXFE,KSXCIWQFSA,N,"CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",TXHAZOCNJYWXFE-KSXCIWQFSA-N
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HMDB56832,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,51-52,59,63,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49-50,53-58,60-62,64-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-/t79?,80-,81-/m1/s1",IIPCQBGHZHVCOJ,DCYMCFNNSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IIPCQBGHZHVCOJ-DCYMCFNNSA-N
HMDB56833,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1",NEASSQXECFTZNH,IRJUARBTSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0/16:0)",NEASSQXECFTZNH-IRJUARBTSA-N
HMDB56834,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1",CMNGOKLXMZVNDB,GNAZSXDFSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0/18:0)",CMNGOKLXMZVNDB-GNAZSXDFSA-N
HMDB56835,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,36-37,40-43,49-50,53-54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,35,38-39,44-48,51-52,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,66-62-/t81?,82-,83-/m1/s1",RYYHQVISBPKKPH,KPFSIQOMSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",RYYHQVISBPKKPH-KPFSIQOMSA-N
HMDB56836,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,53-54,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51-52,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-/t81?,82-,83-/m1/s1",CVHYVWOOTRAIKR,AIUNDKEXSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",CVHYVWOOTRAIKR-AIUNDKEXSA-N
HMDB56837,1424.972226142,C79H142O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,27-29,31-32,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1",HTFVOCOQIVPZNX,WJXGGSBFSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/16:0)",HTFVOCOQIVPZNX-WJXGGSBFSA-N
HMDB56838,1422.956576078,C79H140O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,27,29,31,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,32-28-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1",VJNNCOCUZWCBAP,PYOCZVBWSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/16:1(9Z))",VJNNCOCUZWCBAP-PYOCZVBWSA-N
HMDB56839,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-36,39-42,47-48,51-52,60,64,79-81,86H,5-8,10-12,14-20,23-24,27,29-31,37-38,43-46,49-50,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,64-60-/t79?,80-,81-/m1/s1",QYSWHLMNDHBRBV,JRDQXKANSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QYSWHLMNDHBRBV-JRDQXKANSA-N
HMDB56840,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-36,39-42,47-48,51-52,79-81,86H,5-8,11-12,15-20,23-24,28-30,32,37-38,43-46,49-50,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-/t79?,80-,81-/m1/s1",UDIMHPGROWBSRX,NPARZJBCSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UDIMHPGROWBSRX-NPARZJBCSA-N
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HMDB56842,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1",MLNSGKUCRLUGKS,PPBCIHKNSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(11Z))",MLNSGKUCRLUGKS-PPBCIHKNSA-N
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HMDB56844,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-37,40-43,49-50,53-54,62,66,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,38-39,44-48,51-52,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,66-62-/t81?,82-,83-/m1/s1",KBHVEIZAFKJHSF,TXIBPNHHSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KBHVEIZAFKJHSF-TXIBPNHHSA-N
HMDB56845,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,49-50,53-54,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-48,51-52,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-/t81?,82-,83-/m1/s1",MRGKAOJWPHFZLC,RTFRGFAVSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MRGKAOJWPHFZLC-RTFRGFAVSA-N
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HMDB56847,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,46,50,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,50-46-/t77?,78-,79-/m1/s1",GPRCOQCLUBQQAJ,NWZSIKDGSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z))",GPRCOQCLUBQQAJ-NWZSIKDGSA-N
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HMDB56849,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-37,40-44,49-50,53-54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,38-39,45-48,51-52,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,66-62-/t81?,82-,83-/m1/s1",BZNHINUTKPQVTA,PEPQXASDSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BZNHINUTKPQVTA-PEPQXASDSA-N
HMDB56850,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-37,40-44,49-50,53-54,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-48,51-52,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-/t81?,82-,83-/m1/s1",ISZQKEOZJLOFOG,IYHRKMDASA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ISZQKEOZJLOFOG-IYHRKMDASA-N
HMDB56851,1465.00352627,C82H146O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,45,49,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46-48,50-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,49-45-/t76?,77-,78-/m1/s1",HBJNMJQKIQSXFT,WINKBAGRSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/16:0)",HBJNMJQKIQSXFT-WINKBAGRSA-N
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HMDB56861,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-36,39-42,47-48,50,52,58,62,79-81,86H,5-9,11-13,15-20,23-24,27,29-31,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1",SNSOQVXZQZHLKZ,HTQPVNKLSA,N,"CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",SNSOQVXZQZHLKZ-HTQPVNKLSA-N
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HMDB56924,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h27,31,71-73,78H,5-26,28-30,32-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-/t71?,72-,73-/m1/s1",JBBRAWHBNPKUFZ,OLEHKKDUSA,N,CL(18:0/16:0/18:0/16:1(9Z)),JBBRAWHBNPKUFZ-OLEHKKDUSA-N
HMDB56925,1435.050476462,C79H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27,31,73-75,80H,5-26,28-30,32-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-/t73?,74-,75-/m1/s1",WDQNFVULRLYYNA,AMUUCDEUSA,N,CL(18:0/16:0/18:0/18:1(11Z)),WDQNFVULRLYYNA-AMUUCDEUSA-N
HMDB56926,1435.050476462,C79H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h35,38,73-75,80H,5-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b38-35-/t73?,74-,75-/m1/s1",VOVAXZFTMNPICU,KQLLTFAZSA,N,CL(18:0/16:0/18:0/18:1(9Z)),VOVAXZFTMNPICU-KQLLTFAZSA-N
HMDB56927,1447.050476462,C80H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C80H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,36,39,74-76,81H,5-24,26-28,30-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,39-36-/t74?,75-,76-/m1/s1",JUTGWKUIAFCDTR,SWXRHCOASA,N,"CL(18:0/16:0/18:0/18:2(9Z,12Z))",JUTGWKUIAFCDTR-SWXRHCOASA-N
HMDB56928,1457.034826398,C81H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,33,36,40,44,52,56,75-77,82H,5-20,22-24,26-32,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1",NJLBSENOASXKNV,DDQSJOORSA,N,"CL(18:0/16:0/18:0/20:4(5Z,8Z,11Z,14Z))",NJLBSENOASXKNV-DDQSJOORSA-N
HMDB56929,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1",FWXXXJPTSFIRPK,XUDUNJBJSA,N,"CL(18:0/16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",FWXXXJPTSFIRPK-XUDUNJBJSA-N
HMDB56930,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1",NWARSKJZIUPYPS,GNAZSXDFSA,N,"CL(18:0/16:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",NWARSKJZIUPYPS-GNAZSXDFSA-N
HMDB56931,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1",WUJVFKCUJISMNH,IYYSJNIWSA,N,"CL(18:0/16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WUJVFKCUJISMNH-IYYSJNIWSA-N
HMDB56932,1378.987876206,C75H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26,30,69-71,76H,5-25,27-29,31-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-/t69?,70-,71-/m1/s1",AWPYECXMNCXGPC,WFXRZIJHSA,N,CL(18:0/16:0/16:1(9Z)/16:0),AWPYECXMNCXGPC-WFXRZIJHSA-N
HMDB56933,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27,31,71-73,78H,5-26,28-30,32-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-/t71?,72-,73-/m1/s1",YAXGDMXNIQDTFA,OLEHKKDUSA,N,CL(18:0/16:0/16:1(9Z)/18:0),YAXGDMXNIQDTFA-OLEHKKDUSA-N
HMDB56934,1376.972226142,C75H142O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-27,30-31,69-71,76H,5-25,28-29,32-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-/t69?,70-,71-/m1/s1",GPFNUJBKNUOWNE,ZBPDCHMCSA,N,CL(18:0/16:0/16:1(9Z)/16:1(9Z)),GPFNUJBKNUOWNE-ZBPDCHMCSA-N
HMDB56935,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,29,71-73,78H,5-24,26-28,30-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-/t71?,72-,73-/m1/s1",CVLPWRRZHHOJLW,OXIBHVTNSA,N,CL(18:0/16:0/18:1(11Z)/16:0),CVLPWRRZHHOJLW-OXIBHVTNSA-N
HMDB56936,1435.050476462,C79H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26,30,73-75,80H,5-25,27-29,31-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-/t73?,74-,75-/m1/s1",XRSMITJHKVREBT,TUBNTKFQSA,N,CL(18:0/16:0/18:1(11Z)/18:0),XRSMITJHKVREBT-TUBNTKFQSA-N
HMDB56937,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26-27,30-31,73-75,80H,5-25,28-29,32-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-/t73?,74-,75-/m1/s1",CVHMFDHABZGOFK,SPBLGSOXSA,N,CL(18:0/16:0/18:1(11Z)/18:1(11Z)),CVHMFDHABZGOFK-SPBLGSOXSA-N
HMDB56938,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26,30,35,38,73-75,80H,5-25,27-29,31-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,38-35-/t73?,74-,75-/m1/s1",RHTOJOBKVCLPJF,LNXYVIGDSA,N,CL(18:0/16:0/18:1(11Z)/18:1(9Z)),RHTOJOBKVCLPJF-LNXYVIGDSA-N
HMDB56939,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h33,35,71-73,78H,5-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-/t71?,72-,73-/m1/s1",YYGLTZAEHFRBIL,AJMRJSEVSA,N,CL(18:0/16:0/18:1(9Z)/16:0),YYGLTZAEHFRBIL-AJMRJSEVSA-N
HMDB56940,1435.050476462,C79H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h34,37,73-75,80H,5-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b37-34-/t73?,74-,75-/m1/s1",BTYKYWFDFXJPRZ,RSPZTHQRSA,N,CL(18:0/16:0/18:1(9Z)/18:0),BTYKYWFDFXJPRZ-RSPZTHQRSA-N
HMDB56941,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27,31,34,37,73-75,80H,5-26,28-30,32-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,37-34-/t73?,74-,75-/m1/s1",QWMWAFJKXGPREC,RWGGVDQRSA,N,CL(18:0/16:0/18:1(9Z)/18:1(11Z)),QWMWAFJKXGPREC-RWGGVDQRSA-N
HMDB56942,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h34-35,37-38,73-75,80H,5-33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b37-34-,38-35-/t73?,74-,75-/m1/s1",UEHOZMDRLXJQNA,HIKRONNSSA,N,CL(18:0/16:0/18:1(9Z)/18:1(9Z)),UEHOZMDRLXJQNA-HIKRONNSSA-N
HMDB56943,1419.019176334,C78H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-38-31-27-23-19-15-11-7-3)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1",MQCLTJVWOYRUGM,YWSNMHSKSA,N,"CL(18:0/16:0/18:2(9Z,12Z)/16:0)",MQCLTJVWOYRUGM-YWSNMHSKSA-N
HMDB56944,1447.050476462,C80H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C80H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,36,39,74-76,81H,5-24,26-28,30-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,39-36-/t74?,75-,76-/m1/s1",YQFZFBNUVJBVTN,SWXRHCOASA,N,"CL(18:0/16:0/18:2(9Z,12Z)/18:0)",YQFZFBNUVJBVTN-SWXRHCOASA-N
HMDB56945,1457.034826398,C81H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h25-26,29-30,36-37,39-40,75-77,82H,5-24,27-28,31-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-36-,40-37-/t75?,76-,77-/m1/s1",MBPNCPUBPFKTMJ,QRGGVJDVSA,N,"CL(18:0/16:0/18:2(9Z,12Z)/18:2(9Z,12Z))",MBPNCPUBPFKTMJ-QRGGVJDVSA-N
HMDB56946,1429.00352627,C79H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-41-37-34-30-26-22-18-14-10-6-2/h21,25,33,35,38,42,48,52,73-75,80H,5-20,22-24,26-32,34,36-37,39-41,43-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,42-38-,52-48-/t73?,74-,75-/m1/s1",QYGHYAQBQVLBMF,DLSMNFJRSA,N,"CL(18:0/16:0/20:4(5Z,8Z,11Z,14Z)/16:0)",QYGHYAQBQVLBMF-DLSMNFJRSA-N
HMDB56947,1457.034826398,C81H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,33,36,40,43,50,54,75-77,82H,5-20,22-24,26-32,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1",CXXSLONZENJICW,PRORVMLBSA,N,"CL(18:0/16:0/20:4(5Z,8Z,11Z,14Z)/18:0)",CXXSLONZENJICW-PRORVMLBSA-N
HMDB56948,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27-32,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1",LMQGDOCXDXDCFT,WKJYUXFJSA,N,"CL(18:0/16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",LMQGDOCXDXDCFT-WKJYUXFJSA-N
HMDB56949,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37-38,44,46,54,58,75-77,82H,5-20,22-24,26-32,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1",OPJBBSIRQQJNIX,PDMXSFEKSA,N,"CL(18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",OPJBBSIRQQJNIX-PDMXSFEKSA-N
HMDB56950,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,26-32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1",CQKVKNPVDFBITB,CXQWVAGESA,N,"CL(18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",CQKVKNPVDFBITB-CXQWVAGESA-N
HMDB56951,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27-32,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1",XMWMNFWBBJTVJL,WFXVPCMTSA,N,"CL(18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XMWMNFWBBJTVJL-WFXVPCMTSA-N
HMDB56952,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-34,36-37,40-43,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27-32,35,38-39,44-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1",YEXLQEDDNXQWEL,FPWNIWLQSA,N,"CL(18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YEXLQEDDNXQWEL-FPWNIWLQSA-N
HMDB56953,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,44,46,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,46-44-/t75?,76-,77-/m1/s1",ZWZMBRNDKDKZCT,NAGGFJJFSA,N,"CL(18:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",ZWZMBRNDKDKZCT-NAGGFJJFSA-N
HMDB56954,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1",PNLXZVWKMKCHTJ,HMDMJJBKSA,N,"CL(18:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",PNLXZVWKMKCHTJ-HMDMJJBKSA-N
HMDB56955,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,36-37,40-43,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,35,38-39,44-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1",NIPWCGFYJVADBM,PEVWBDKHSA,N,"CL(18:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",NIPWCGFYJVADBM-PEVWBDKHSA-N
HMDB56956,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1",BVVZUCJQQZSSID,HTFVCBMRSA,N,"CL(18:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BVVZUCJQQZSSID-HTFVCBMRSA-N
HMDB56957,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,44,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1",PWNCXWPBKAIVIL,ZNYASJJGSA,N,"CL(18:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",PWNCXWPBKAIVIL-ZNYASJJGSA-N
HMDB56958,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1",DDKBUGITQMNMRS,FZUINAHSSA,N,"CL(18:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",DDKBUGITQMNMRS-FZUINAHSSA-N
HMDB56959,1525.00352627,C87H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1",XIUJEZBKHUGYOM,AREYZWPISA,N,"CL(18:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XIUJEZBKHUGYOM-AREYZWPISA-N
HMDB56960,1465.097426654,C81H158O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC(O)CO[P@](O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/t76-,77-/m1/s1",XVTUQDWPJJBEHJ,KZCWQMDCSA,N,CL(18:0/18:0/18:0/18:0),XVTUQDWPJJBEHJ-KZCWQMDCSA-N
HMDB56961,1435.050476462,C79H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32,73-75,80H,5-27,29-31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-/t73?,74-,75-/m1/s1",GHZRADMSSMYOTJ,JQHUETPXSA,N,CL(18:0/18:0/18:0/16:1(9Z)),GHZRADMSSMYOTJ-JQHUETPXSA-N
HMDB56962,1463.08177659,C81H156O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27,31,75-77,82H,5-26,28-30,32-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-/t75?,76-,77-/m1/s1",YOYBQDCJVVERAD,SIBULAEISA,N,CL(18:0/18:0/18:0/18:1(11Z)),YOYBQDCJVVERAD-SIBULAEISA-N
HMDB56963,1463.08177659,C81H156O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h35,39,75-77,82H,5-34,36-38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b39-35-/t75?,76-,77-/m1/s1",ZUFQQZQGIQRKQI,YNUYDFFPSA,N,CL(18:0/18:0/18:0/18:1(9Z)),ZUFQQZQGIQRKQI-YNUYDFFPSA-N
HMDB56964,1475.08177659,C82H156O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C82H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,37,41,76-78,83H,5-24,26-28,30-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,41-37-/t76?,77-,78-/m1/s1",QROMXNZWRBBVRN,TZURBOGRSA,N,"CL(18:0/18:0/18:0/18:2(9Z,12Z))",QROMXNZWRBBVRN-TZURBOGRSA-N
HMDB56965,1485.066126526,C83H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,37,42,46,54,58,77-79,84H,5-20,22-24,26-32,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,46-42-,58-54-/t77?,78-,79-/m1/s1",JYPZHAWNPXTKGT,BSEPWSFESA,N,"CL(18:0/18:0/18:0/20:4(5Z,8Z,11Z,14Z))",JYPZHAWNPXTKGT-BSEPWSFESA-N
HMDB56966,1511.08177659,C85H156O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H156O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,37,39-40,48,52,60,64,79-81,86H,5-20,22-24,26-32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1",IWYWPEYDNSYBTM,OQFDDVNISA,N,"CL(18:0/18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",IWYWPEYDNSYBTM-OQFDDVNISA-N
HMDB56967,1511.08177659,C85H156O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H156O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,37,39-40,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-36,38,41-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,52-48-/t79?,80-,81-/m1/s1",LGEKRVQBXUNKDV,YPQGKUQKSA,N,"CL(18:0/18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",LGEKRVQBXUNKDV-YPQGKUQKSA-N
HMDB56968,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,37,39-40,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1",ZGBNIMJFHPUOST,FUIHRZGWSA,N,"CL(18:0/18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZGBNIMJFHPUOST-FUIHRZGWSA-N
HMDB56969,1407.019176334,C77H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h27,31,71-73,78H,5-26,28-30,32-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-/t71?,72-,73-/m1/s1",AHMCVWAKXZYIDU,OLEHKKDUSA,N,CL(18:0/18:0/16:1(9Z)/16:0),AHMCVWAKXZYIDU-OLEHKKDUSA-N
HMDB56970,1435.050476462,C79H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h28,32,73-75,80H,5-27,29-31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-/t73?,74-,75-/m1/s1",AYZIKUKJBDCTNU,JQHUETPXSA,N,CL(18:0/18:0/16:1(9Z)/18:0),AYZIKUKJBDCTNU-JQHUETPXSA-N
HMDB56971,1405.00352627,C77H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h27-28,31-32,71-73,78H,5-26,29-30,33-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-/t71?,72-,73-/m1/s1",MEMKYNKPTHXFCB,ZVEMOSHESA,N,CL(18:0/18:0/16:1(9Z)/16:1(9Z)),MEMKYNKPTHXFCB-ZVEMOSHESA-N
HMDB56972,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,28,30,32,73-75,80H,5-25,27,29,31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,32-28-/t73?,74-,75-/m1/s1",ASITWFRTSSIVBV,GGEJAARGSA,N,CL(18:0/18:0/16:1(9Z)/18:1(11Z)),ASITWFRTSSIVBV-GGEJAARGSA-N
HMDB56973,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h28,32,34,37,73-75,80H,5-27,29-31,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,37-34-/t73?,74-,75-/m1/s1",GYQBBGFRPUGKOO,XQMBBDLCSA,N,CL(18:0/18:0/16:1(9Z)/18:1(9Z)),GYQBBGFRPUGKOO-XQMBBDLCSA-N
HMDB56974,1445.034826398,C80H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C80H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,36,39,74-76,81H,5-24,26-27,30-31,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,39-36-/t74?,75-,76-/m1/s1",GQHJWSBVYXLCJE,HOFSHNCOSA,N,"CL(18:0/18:0/16:1(9Z)/18:2(9Z,12Z))",GQHJWSBVYXLCJE-HOFSHNCOSA-N
HMDB56975,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,40,44,52,56,75-77,82H,5-20,22-24,26-27,29-31,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1",HTUDIKNHHWDTID,CRLIMSPWSA,N,"CL(18:0/18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",HTUDIKNHHWDTID-CRLIMSPWSA-N
HMDB56976,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1",JMCHEBSLECUVPR,HTKJEUACSA,N,"CL(18:0/18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JMCHEBSLECUVPR-HTKJEUACSA-N
HMDB56977,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1",JPNRTIRPZMCWIG,ZINHIANQSA,N,"CL(18:0/18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JPNRTIRPZMCWIG-ZINHIANQSA-N
HMDB56978,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1",ZYYOOBFRHHLYFS,DORRNJKJSA,N,"CL(18:0/18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ZYYOOBFRHHLYFS-DORRNJKJSA-N
HMDB56979,1435.050476462,C79H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,73-75,80H,5-24,26-28,30-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-/t73?,74-,75-/m1/s1",OQNWGBZOZUGAAJ,STUPWHLQSA,N,CL(18:0/18:0/18:1(11Z)/16:0),OQNWGBZOZUGAAJ-STUPWHLQSA-N
HMDB56980,1463.08177659,C81H156O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,75-77,82H,5-24,26-28,30-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-/t75?,76-,77-/m1/s1",WBOAMLLDNVDPCQ,UWISOYLWSA,N,CL(18:0/18:0/18:1(11Z)/18:0),WBOAMLLDNVDPCQ-UWISOYLWSA-N
HMDB56981,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,73-75,80H,5-24,26-27,30-31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,32-28-/t73?,74-,75-/m1/s1",AWKYGPQUJNAINR,LWXZMMTOSA,N,CL(18:0/18:0/18:1(11Z)/16:1(9Z)),AWKYGPQUJNAINR-LWXZMMTOSA-N
HMDB56982,1461.066126526,C81H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,75-77,82H,5-24,26,28,30,32-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,31-27-/t75?,76-,77-/m1/s1",IKEDLXJOGIFXRB,QESZEDMGSA,N,CL(18:0/18:0/18:1(11Z)/18:1(11Z)),IKEDLXJOGIFXRB-QESZEDMGSA-N
HMDB56983,1461.066126526,C81H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,35,39,75-77,82H,5-24,26-28,30-34,36-38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,39-35-/t75?,76-,77-/m1/s1",IYNZNGAZEIWUAV,MORSKKBASA,N,CL(18:0/18:0/18:1(11Z)/18:1(9Z)),IYNZNGAZEIWUAV-MORSKKBASA-N
HMDB56984,1473.066126526,C82H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,37,41,76-78,83H,5-24,26,28,30,32-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,41-37-/t76?,77-,78-/m1/s1",VWTQUTGFXXBVCX,OCYPSNNNSA,N,"CL(18:0/18:0/18:1(11Z)/18:2(9Z,12Z))",VWTQUTGFXXBVCX-OCYPSNNNSA-N
HMDB56985,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,37,42,46,54,58,77-79,84H,5-20,22-24,26,28-30,32,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,46-42-,58-54-/t77?,78-,79-/m1/s1",JQKLOZBYKTUTEW,BXKGEGLBSA,N,"CL(18:0/18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",JQKLOZBYKTUTEW-BXKGEGLBSA-N
HMDB56986,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,37,39-40,48,52,60,64,79-81,86H,5-20,22-24,26,28-30,32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1",CEQFDIUUGXRMAG,ISZUIVMMSA,N,"CL(18:0/18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CEQFDIUUGXRMAG-ISZUIVMMSA-N
HMDB56987,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,37,39-40,48,52,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-36,38,41-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,52-48-/t79?,80-,81-/m1/s1",PVYNGSQOBITFGP,FCBRNYQNSA,N,"CL(18:0/18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PVYNGSQOBITFGP-FCBRNYQNSA-N
HMDB56988,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,37,39-40,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1",HTELYRDDEQLEDL,CROQMYQVSA,N,"CL(18:0/18:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HTELYRDDEQLEDL-CROQMYQVSA-N
HMDB56989,1435.050476462,C79H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h33,36,73-75,80H,5-32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b36-33-/t73?,74-,75-/m1/s1",PVNBLAUIPZLHIX,YUTMTILTSA,N,CL(18:0/18:0/18:1(9Z)/16:0),PVNBLAUIPZLHIX-YUTMTILTSA-N
HMDB56990,1463.08177659,C81H156O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33,37,75-77,82H,5-32,34-36,38-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-/t75?,76-,77-/m1/s1",LEGFNXHHOZSZHQ,MSRVHLGFSA,N,CL(18:0/18:0/18:1(9Z)/18:0),LEGFNXHHOZSZHQ-MSRVHLGFSA-N
HMDB56991,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32-33,36,73-75,80H,5-27,29-31,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,36-33-/t73?,74-,75-/m1/s1",PASLIXWMODHMFF,VYPAHKDOSA,N,CL(18:0/18:0/18:1(9Z)/16:1(9Z)),PASLIXWMODHMFF-VYPAHKDOSA-N
HMDB56992,1461.066126526,C81H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27,31,33,37,75-77,82H,5-26,28-30,32,34-36,38-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-,37-33-/t75?,76-,77-/m1/s1",DSOPAMRUWKWMBO,CDTSCRGUSA,N,CL(18:0/18:0/18:1(9Z)/18:1(11Z)),DSOPAMRUWKWMBO-CDTSCRGUSA-N
HMDB56993,1461.066126526,C81H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33,35,37,39,75-77,82H,5-32,34,36,38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,39-35-/t75?,76-,77-/m1/s1",ALLKRZIEOMTOPX,XTVPFCJSSA,N,CL(18:0/18:0/18:1(9Z)/18:1(9Z)),ALLKRZIEOMTOPX-XTVPFCJSSA-N
HMDB56994,1473.066126526,C82H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,35,37,39,41,76-78,83H,5-24,26-28,30-34,36,38,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,39-35-,41-37-/t76?,77-,78-/m1/s1",KPZUUVUQKMOLIY,YYCUDGTBSA,N,"CL(18:0/18:0/18:1(9Z)/18:2(9Z,12Z))",KPZUUVUQKMOLIY-YYCUDGTBSA-N
HMDB56995,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37,40,42,46,54,58,77-79,84H,5-20,22-24,26-32,34,36,38-39,41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,40-35-,46-42-,58-54-/t77?,78-,79-/m1/s1",XHEVWWGIAFSBJQ,MOWNYHKDSA,N,"CL(18:0/18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",XHEVWWGIAFSBJQ-MOWNYHKDSA-N
HMDB56996,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,35,37,39-40,42,48,52,60,64,79-81,86H,5-20,22-24,26-32,34,36,38,41,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1",OOFCXQWOAMQXSD,RWKHUWIXSA,N,"CL(18:0/18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",OOFCXQWOAMQXSD-RWKHUWIXSA-N
HMDB56997,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37,39-40,42,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,36,38,41,43-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,52-48-/t79?,80-,81-/m1/s1",CVUXOHKQEJLAJR,RCTMZXSISA,N,"CL(18:0/18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CVUXOHKQEJLAJR-RCTMZXSISA-N
HMDB56998,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37,39-40,42,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,36,38,41,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1",MDZBURVOOCUCSN,IUUYIOFYSA,N,"CL(18:0/18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MDZBURVOOCUCSN-IUUYIOFYSA-N
HMDB56999,1447.050476462,C80H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C80H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,36,39,74-76,81H,5-24,26-28,30-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,39-36-/t74?,75-,76-/m1/s1",LAKIRIUVFVXSNL,SWXRHCOASA,N,"CL(18:0/18:0/18:2(9Z,12Z)/16:0)",LAKIRIUVFVXSNL-SWXRHCOASA-N
HMDB57000,1475.08177659,C82H156O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C82H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,37,41,76-78,83H,5-24,26-28,30-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,41-37-/t76?,77-,78-/m1/s1",KTNITSUJMVJYTE,TZURBOGRSA,N,"CL(18:0/18:0/18:2(9Z,12Z)/18:0)",KTNITSUJMVJYTE-TZURBOGRSA-N
HMDB57001,1445.034826398,C80H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C80H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,36,39,74-76,81H,5-24,26-27,30-31,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,39-36-/t74?,75-,76-/m1/s1",UJSZOVPFKVYPOW,HOFSHNCOSA,N,"CL(18:0/18:0/18:2(9Z,12Z)/16:1(9Z))",UJSZOVPFKVYPOW-HOFSHNCOSA-N
HMDB57002,1473.066126526,C82H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,37,41,76-78,83H,5-24,26-27,30-31,33-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,32-28-,41-37-/t76?,77-,78-/m1/s1",IINAFXPNTPGICZ,YXHRCEBNSA,N,"CL(18:0/18:0/18:2(9Z,12Z)/18:1(11Z))",IINAFXPNTPGICZ-YXHRCEBNSA-N
HMDB57003,1473.066126526,C82H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,36-37,40-41,76-78,83H,5-24,26-28,30-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,40-36-,41-37-/t76?,77-,78-/m1/s1",QJJIEKRTCBBLJL,WCOIZOSKSA,N,"CL(18:0/18:0/18:2(9Z,12Z)/18:1(9Z))",QJJIEKRTCBBLJL-WCOIZOSKSA-N
HMDB57004,1485.066126526,C83H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-26,29-30,37-38,41-42,77-79,84H,5-24,27-28,31-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,41-37-,42-38-/t77?,78-,79-/m1/s1",FPSQAJHZCYCMLX,HWLJHTHZSA,N,"CL(18:0/18:0/18:2(9Z,12Z)/18:2(9Z,12Z))",FPSQAJHZCYCMLX-HWLJHTHZSA-N
HMDB57005,1495.050476462,C84H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,37-38,42-43,47,55,59,78-80,85H,5-20,22-24,27-29,31-32,34-36,39-41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1",PWKNYQJUAOFJQK,POYCXWISSA,N,"CL(18:0/18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",PWKNYQJUAOFJQK-POYCXWISSA-N
HMDB57006,1521.066126526,C86H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,37-38,40-41,44,49,53,61,65,80-82,87H,5-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1",DLGVSOMQXSSMMF,XMYFPJIOSA,N,"CL(18:0/18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DLGVSOMQXSSMMF-XMYFPJIOSA-N
HMDB57007,1521.066126526,C86H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,37-38,40-41,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,53-49-/t80?,81-,82-/m1/s1",ZEICBFXHWBXFQS,OHMRXRMSSA,N,"CL(18:0/18:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZEICBFXHWBXFQS-OHMRXRMSSA-N
HMDB57008,1519.050476462,C86H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C86H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,37-38,40-41,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1",FXPUQGABTJBVGY,XZFAACDKSA,N,"CL(18:0/18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FXPUQGABTJBVGY-XZFAACDKSA-N
HMDB57009,1457.034826398,C81H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,33,36,40,43,50,54,75-77,82H,5-20,22-24,26-32,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1",PGVSPSFXTPYUJS,PRORVMLBSA,N,"CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/16:0)",PGVSPSFXTPYUJS-PRORVMLBSA-N
HMDB57010,1485.066126526,C83H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,37,42,44,52,56,77-79,84H,5-20,22-24,26-32,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1",DJRJHSJYUGAXMR,COSTWODUSA,N,"CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/18:0)",DJRJHSJYUGAXMR-COSTWODUSA-N
HMDB57011,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,40,43,50,54,75-77,82H,5-20,22-24,26-27,29-31,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1",KDLLOQAEAGAKMR,KOJGUCDJSA,N,"CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",KDLLOQAEAGAKMR-KOJGUCDJSA-N
HMDB57012,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,37,42,44,52,56,77-79,84H,5-20,22-24,26-27,29-31,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1",BVEDJYYVNDACLM,ZCCJVIPISA,N,"CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",BVEDJYYVNDACLM-ZCCJVIPISA-N
HMDB57013,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,36-37,41-42,44,52,56,77-79,84H,5-20,22-24,26-32,34-35,38-40,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1",FPDCEMNSCAWZKL,LFYXEDLGSA,N,"CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",FPDCEMNSCAWZKL-LFYXEDLGSA-N
HMDB57014,1495.050476462,C84H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,37-38,42-43,45,53,57,78-80,85H,5-20,22-24,27-29,31-32,34-36,39-41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1",GOWLIHDZGOXEBA,ZOIIGMJESA,N,"CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",GOWLIHDZGOXEBA-ZOIIGMJESA-N
HMDB57015,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1",NBUCOUBHCHXEHG,MNJUSOFHSA,N,"CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",NBUCOUBHCHXEHG-MNJUSOFHSA-N
HMDB57016,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,27-32,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1",JHYFNMPCRHRANY,ARXOCEOISA,N,"CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JHYFNMPCRHRANY-ARXOCEOISA-N
HMDB57017,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,40,42,45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1",ROMAZJHTDHOYST,DOWBRHHDSA,N,"CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ROMAZJHTDHOYST-DOWBRHHDSA-N
HMDB57018,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1",XQLKMUPUJKRAKL,BNQDFIOCSA,N,"CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XQLKMUPUJKRAKL-BNQDFIOCSA-N
HMDB57019,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,26-32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1",YFOVJTKYHNWNDP,CXQWVAGESA,N,"CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",YFOVJTKYHNWNDP-CXQWVAGESA-N
HMDB57020,1511.08177659,C85H156O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H156O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,26-32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1",LMRBKOXJIZDEMC,YKQPAYISSA,N,"CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",LMRBKOXJIZDEMC-YKQPAYISSA-N
HMDB57021,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1",FSPTVFCZUHQSHC,UJVQDOQOSA,N,"CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",FSPTVFCZUHQSHC-UJVQDOQOSA-N
HMDB57022,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,26-27,29-31,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1",FNGIKJRVGFOJQI,CLWNKNLCSA,N,"CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",FNGIKJRVGFOJQI-CLWNKNLCSA-N
HMDB57023,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-20,22-24,26-32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1",NNLWDXZHBJCSPK,CTOXDSIVSA,N,"CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",NNLWDXZHBJCSPK-CTOXDSIVSA-N
HMDB57024,1521.066126526,C86H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,37-38,40-41,44,47,51,59,63,80-82,87H,5-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1",JOARLOZMEFMRMQ,DBNGKPJISA,N,"CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",JOARLOZMEFMRMQ-DBNGKPJISA-N
HMDB57025,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,27-32,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1",TTWUHWVDWPJNKB,PKQZWFNQSA,N,"CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",TTWUHWVDWPJNKB-PKQZWFNQSA-N
HMDB57026,1557.066126526,C89H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",ZAWHMIFYVANAMY,RPKHMBGUSA,N,"CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZAWHMIFYVANAMY-RPKHMBGUSA-N
HMDB57027,1557.066126526,C89H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1",UVUMIMSCZYAOMN,OSBGXOPPSA,N,"CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UVUMIMSCZYAOMN-OSBGXOPPSA-N
HMDB57028,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-9,11-13,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",GUOAPJNNNYRSBJ,JNHXRIAUSA,N,"CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GUOAPJNNNYRSBJ-JNHXRIAUSA-N
HMDB57029,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1",GHRKNDXMASNHIW,HMDMJJBKSA,N,"CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",GHRKNDXMASNHIW-HMDMJJBKSA-N
HMDB57030,1511.08177659,C85H156O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H156O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1",JLJIVCQTFNCRFM,UHKYIWIISA,N,"CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",JLJIVCQTFNCRFM-UHKYIWIISA-N
HMDB57031,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1",NIZQWQMAENAIMP,VJUARWPISA,N,"CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",NIZQWQMAENAIMP-VJUARWPISA-N
HMDB57032,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1",PONQIQJCJGUUKA,BVKJRFMMSA,N,"CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",PONQIQJCJGUUKA-BVKJRFMMSA-N
HMDB57033,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36-37,39-40,43,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-35,38,41-42,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,43-36-,50-46-/t79?,80-,81-/m1/s1",UQCVEBDMUHBLCG,LLEXJQRKSA,N,"CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",UQCVEBDMUHBLCG-LLEXJQRKSA-N
HMDB57034,1521.066126526,C86H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,37-38,40-41,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,51-47-/t80?,81-,82-/m1/s1",UEWGQIVDCUFFOP,MTNIJVHDSA,N,"CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",UEWGQIVDCUFFOP-MTNIJVHDSA-N
HMDB57035,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,40,42,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1",XKJMGWSJFPUGLB,OARTZARGSA,N,"CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",XKJMGWSJFPUGLB-OARTZARGSA-N
HMDB57036,1557.066126526,C89H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1",ZZIMSGDUZNAFTK,WQDAIRFGSA,N,"CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZZIMSGDUZNAFTK-WQDAIRFGSA-N
HMDB57037,1557.066126526,C89H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1",PTXOSYOFCKWQRD,FKCVEDCNSA,N,"CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PTXOSYOFCKWQRD-FKCVEDCNSA-N
HMDB57038,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1",MURMQJVLBCXVJP,GNBKUFFKSA,N,"CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",MURMQJVLBCXVJP-GNBKUFFKSA-N
HMDB57039,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1",SDGOCAIKOPNLOP,FZUINAHSSA,N,"CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",SDGOCAIKOPNLOP-FZUINAHSSA-N
HMDB57040,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1",OLNAPSYMZKIVGB,WUXXYJQXSA,N,"CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",OLNAPSYMZKIVGB-WUXXYJQXSA-N
HMDB57041,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1",NAMUIVWAIQHBEV,HBFCSNSJSA,N,"CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",NAMUIVWAIQHBEV-HBFCSNSJSA-N
HMDB57042,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1",VAPGWFPXGQSPQP,MZUGYNSGSA,N,"CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",VAPGWFPXGQSPQP-MZUGYNSGSA-N
HMDB57043,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1",XDYPCKUWKQYMQS,BEPFGUCISA,N,"CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",XDYPCKUWKQYMQS-BEPFGUCISA-N
HMDB57044,1519.050476462,C86H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C86H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,37-38,40-41,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1",XTPMOLBSNLDDGH,NFYZTTTRSA,N,"CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",XTPMOLBSNLDDGH-NFYZTTTRSA-N
HMDB57045,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1",YMPCQFXHWHEAPI,OHZWOTQZSA,N,"CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",YMPCQFXHWHEAPI-OHZWOTQZSA-N
HMDB57046,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",LHAURIVXBJEUBV,WWSQBGIHSA,N,"CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LHAURIVXBJEUBV-WWSQBGIHSA-N
HMDB57047,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1",BWUNJEYXFIATGA,UPDSSLJISA,N,"CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",BWUNJEYXFIATGA-UPDSSLJISA-N
HMDB57048,1553.034826398,C89H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",WJVJTASDPCIQJE,KBWSREEZSA,N,"CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WJVJTASDPCIQJE-KBWSREEZSA-N
HMDB57049,1405.00352627,C77H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-32,71-73,78H,5-26,29-30,33-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-/t72-,73-/m1/s1",QIXCIYNCKWUYPJ,PHHUEMOBSA,N,CL(18:0/16:1(9Z)/18:0/16:1(9Z)),QIXCIYNCKWUYPJ-PHHUEMOBSA-N
HMDB57050,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27-28,31-32,73-75,80H,5-26,29-30,33-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,32-28-/t73?,74-,75-/m1/s1",GZUUMKDLRMZROI,FQMSAUHBSA,N,CL(18:0/16:1(9Z)/18:0/18:1(11Z)),GZUUMKDLRMZROI-FQMSAUHBSA-N
HMDB57051,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32,35,38,73-75,80H,5-27,29-31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,38-35-/t73?,74-,75-/m1/s1",VHMXNXJOICDMOE,WOZRXTEKSA,N,CL(18:0/16:1(9Z)/18:0/18:1(9Z)),VHMXNXJOICDMOE-WOZRXTEKSA-N
HMDB57052,1445.034826398,C80H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C80H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,36,39,74-76,81H,5-24,26-27,30-31,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,39-36-/t74?,75-,76-/m1/s1",ZJJQGZQSRQDLIG,HOFSHNCOSA,N,"CL(18:0/16:1(9Z)/18:0/18:2(9Z,12Z))",ZJJQGZQSRQDLIG-HOFSHNCOSA-N
HMDB57053,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,40,44,52,56,75-77,82H,5-20,22-24,26-27,29-31,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1",NDLQEXKZNADCDT,CRLIMSPWSA,N,"CL(18:0/16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))",NDLQEXKZNADCDT-CRLIMSPWSA-N
HMDB57054,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1",YDFMOTUHSILSTN,HTKJEUACSA,N,"CL(18:0/16:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",YDFMOTUHSILSTN-HTKJEUACSA-N
HMDB57055,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1",UHWGANIJRIMVID,ZINHIANQSA,N,"CL(18:0/16:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",UHWGANIJRIMVID-ZINHIANQSA-N
HMDB57056,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1",WVDPDBRKYVDUCX,DORRNJKJSA,N,"CL(18:0/16:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WVDPDBRKYVDUCX-DORRNJKJSA-N
HMDB57057,1376.972226142,C75H142O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26,28,30,32,69-71,76H,5-25,27,29,31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,32-28-/t69?,70-,71-/m1/s1",QXCNQKPSGATWIK,AUFRWPDMSA,N,CL(18:0/16:1(9Z)/16:1(9Z)/16:0),QXCNQKPSGATWIK-AUFRWPDMSA-N
HMDB57058,1405.00352627,C77H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-32,71-73,78H,5-26,29-30,33-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-/t71?,72-,73-/m1/s1",OLGNTDDITGGGMP,ZVEMOSHESA,N,CL(18:0/16:1(9Z)/16:1(9Z)/18:0),OLGNTDDITGGGMP-ZVEMOSHESA-N
HMDB57059,1374.956576078,C75H140O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-28,30-32,69-71,76H,5-25,29,33-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-,32-28-/t69?,70-,71-/m1/s1",RKUCODXIXIXKCT,ZOUQZYRZSA,N,CL(18:0/16:1(9Z)/16:1(9Z)/16:1(9Z)),RKUCODXIXIXKCT-ZOUQZYRZSA-N
HMDB57060,1402.987876206,C77H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h26-28,30-32,71-73,78H,5-25,29,33-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,31-27-,32-28-/t71?,72-,73-/m1/s1",NVRPYPBGRHIFSI,SYAFBWEFSA,N,CL(18:0/16:1(9Z)/16:1(9Z)/18:1(11Z)),NVRPYPBGRHIFSI-SYAFBWEFSA-N
HMDB57061,1402.987876206,C77H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-32,34,36,71-73,78H,5-26,29-30,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,36-34-/t71?,72-,73-/m1/s1",LCUVBORQENWTAO,KRVJGVBYSA,N,CL(18:0/16:1(9Z)/16:1(9Z)/18:1(9Z)),LCUVBORQENWTAO-KRVJGVBYSA-N
HMDB57062,1414.987876206,C78H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C78H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,35,37,72-74,79H,5-24,26,30,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1",BGGWZWDLGDEIAY,STFLURBHSA,N,"CL(18:0/16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))",BGGWZWDLGDEIAY-STFLURBHSA-N
HMDB57063,1424.972226142,C79H142O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,35,38,42,50,54,73-75,80H,5-20,22-24,26,29-30,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1",NYGOVWZJSOWUJF,WMLVGJRNSA,N,"CL(18:0/16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",NYGOVWZJSOWUJF-WMLVGJRNSA-N
HMDB57064,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,26,29-30,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1",KVMMGSQSPPJZTH,HOSOOFSVSA,N,"CL(18:0/16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",KVMMGSQSPPJZTH-HOSOOFSVSA-N
HMDB57065,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1",GGUASSABHIHHOE,MDESSRNOSA,N,"CL(18:0/16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GGUASSABHIHHOE-MDESSRNOSA-N
HMDB57066,1448.972226142,C81H142O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1",BGKHDEHVEPOTGH,MASYKSMCSA,N,"CL(18:0/16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BGKHDEHVEPOTGH-MASYKSMCSA-N
HMDB57067,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26,28,30,32,73-75,80H,5-25,27,29,31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,32-28-/t73?,74-,75-/m1/s1",VYTCFGBLLTWPSK,GGEJAARGSA,N,CL(18:0/16:1(9Z)/18:1(11Z)/18:0),VYTCFGBLLTWPSK-GGEJAARGSA-N
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HMDB57072,1402.987876206,C77H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-33,35,71-73,78H,5-26,29-30,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,35-33-/t71?,72-,73-/m1/s1",LDUXBDQMMFLDQX,CXSCIADASA,N,CL(18:0/16:1(9Z)/18:1(9Z)/16:1(9Z)),LDUXBDQMMFLDQX-CXSCIADASA-N
HMDB57073,1431.019176334,C79H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27-28,31-32,34,37,73-75,80H,5-26,29-30,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,32-28-,37-34-/t73?,74-,75-/m1/s1",ANRODWFTZIXCIW,HZYMLUSPSA,N,CL(18:0/16:1(9Z)/18:1(9Z)/18:1(11Z)),ANRODWFTZIXCIW-HZYMLUSPSA-N
HMDB57074,1431.019176334,C79H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32,34-35,37-38,73-75,80H,5-27,29-31,33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,37-34-,38-35-/t73?,74-,75-/m1/s1",IUHJDAUSTREBJI,MWEALAHGSA,N,CL(18:0/16:1(9Z)/18:1(9Z)/18:1(9Z)),IUHJDAUSTREBJI-MWEALAHGSA-N
HMDB57075,1445.034826398,C80H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C80H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,36,39,74-76,81H,5-24,26-27,30-31,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,39-36-/t74?,75-,76-/m1/s1",ORJHFMCELWVMGO,HOFSHNCOSA,N,"CL(18:0/16:1(9Z)/18:2(9Z,12Z)/18:0)",ORJHFMCELWVMGO-HOFSHNCOSA-N
HMDB57076,1414.987876206,C78H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C78H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-38-31-27-23-19-15-11-7-3)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,35,37,72-74,79H,5-24,26,30,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1",RGBQKSCGXYUGKE,STFLURBHSA,N,"CL(18:0/16:1(9Z)/18:2(9Z,12Z)/16:1(9Z))",RGBQKSCGXYUGKE-STFLURBHSA-N
HMDB57077,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h25-26,28-30,32,36-37,39-40,75-77,82H,5-24,27,31,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1",GLJPUUUVKXVBAT,UMASBSJLSA,N,"CL(18:0/16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",GLJPUUUVKXVBAT-UMASBSJLSA-N
HMDB57078,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,40,43,50,54,75-77,82H,5-20,22-24,26-27,29-31,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1",AYDMUHABJLDLQY,KOJGUCDJSA,N,"CL(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:0)",AYDMUHABJLDLQY-KOJGUCDJSA-N
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HMDB57080,1474.987876206,C83H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1",QXKURLRXPOSBAV,GGJPBUDWSA,N,"CL(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",QXKURLRXPOSBAV-GGJPBUDWSA-N
HMDB57081,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1",ZWCREWUPHDZNQZ,UJVQDOQOSA,N,"CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",ZWCREWUPHDZNQZ-UJVQDOQOSA-N
HMDB57082,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,35,37-38,44,46,54,58,75-77,82H,5-20,22-24,26,29-30,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1",QNQMZWCBBWXUKX,BKHXKFHASA,N,"CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",QNQMZWCBBWXUKX-BKHXKFHASA-N
HMDB57083,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27,29-31,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1",VEMMJFZPTYMHIB,FMNCPJPWSA,N,"CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VEMMJFZPTYMHIB-FMNCPJPWSA-N
HMDB57084,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,35,38-39,44-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1",HANYYUPFRIRKJN,XDMIOSMMSA,N,"CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HANYYUPFRIRKJN-XDMIOSMMSA-N
HMDB57085,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1",ZPTABLOLGGVFEG,VJUARWPISA,N,"CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",ZPTABLOLGGVFEG-VJUARWPISA-N
HMDB57086,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,35,37-38,44,46,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-43,45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,46-44-/t75?,76-,77-/m1/s1",OKVPUXFRLCZKBN,LUARQXHRSA,N,"CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",OKVPUXFRLCZKBN-LUARQXHRSA-N
HMDB57087,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,35,38-39,44-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1",GODAKYVFIQCLBA,QGVPEELLSA,N,"CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GODAKYVFIQCLBA-QGVPEELLSA-N
HMDB57088,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1",FSEKFWNMOWIASS,YYSIIHQBSA,N,"CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FSEKFWNMOWIASS-YYSIIHQBSA-N
HMDB57089,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1",JWSQDUVMXZHDDJ,HBFCSNSJSA,N,"CL(18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",JWSQDUVMXZHDDJ-HBFCSNSJSA-N
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HMDB57091,1522.987876206,C87H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1",GDWYTFHYOVJRMU,FSYZPIQQSA,N,"CL(18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",GDWYTFHYOVJRMU-FSYZPIQQSA-N
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HMDB57125,1471.050476462,C82H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,36-37,40-41,76-78,83H,5-24,26,28,30,32-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,40-36-,41-37-/t76?,77-,78-/m1/s1",GNKHQPIBFKIQSE,CLWVKTBBSA,N,"CL(18:0/18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))",GNKHQPIBFKIQSE-CLWVKTBBSA-N
HMDB57126,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-26,28-30,32,37-38,41-42,77-79,84H,5-24,27,31,33-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,32-28-,41-37-,42-38-/t77?,78-,79-/m1/s1",SIYYGPCHLQNORD,MYHQXTHSSA,N,"CL(18:0/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",SIYYGPCHLQNORD-MYHQXTHSSA-N
HMDB57127,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,37,42,44,52,56,77-79,84H,5-20,22-24,26,28-30,32,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1",AJVKIVVGZYYUBF,WBGPNUGCSA,N,"CL(18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:0)",AJVKIVVGZYYUBF-WBGPNUGCSA-N
HMDB57128,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,37,42,44,52,56,77-79,84H,5-20,22-24,26,29-30,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1",QNAQYXGHYKSHJL,FYVVCVIPSA,N,"CL(18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",QNAQYXGHYKSHJL-FYVVCVIPSA-N
HMDB57129,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,36-37,41-42,44,52,56,77-79,84H,5-20,22-24,26,28-30,32,34-35,38-40,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1",YGRHMRMNNNDXFT,COPTYQPZSA,N,"CL(18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",YGRHMRMNNNDXFT-COPTYQPZSA-N
HMDB57130,1503.019176334,C85H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27,29-31,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,32-28-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1",AECBBTSTDWJTET,GKKQDYFMSA,N,"CL(18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",AECBBTSTDWJTET-GKKQDYFMSA-N
HMDB57131,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,26,28-30,32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1",UYEAMZNUYDFARM,FZPBEVNWSA,N,"CL(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",UYEAMZNUYDFARM-FZPBEVNWSA-N
HMDB57132,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,26,29-30,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1",WXZCEJCDWLMTMS,BNUDRUSJSA,N,"CL(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",WXZCEJCDWLMTMS-BNUDRUSJSA-N
HMDB57133,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-20,22-24,26,28-30,32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1",LYRNKWUXBOMAQD,OFZKNBSLSA,N,"CL(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",LYRNKWUXBOMAQD-OFZKNBSLSA-N
HMDB57134,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",GETGHNNSGFRDPI,ORYHHPSPSA,N,"CL(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GETGHNNSGFRDPI-ORYHHPSPSA-N
HMDB57135,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1",WYXZRRIQYUUDTN,ICMWPJOWSA,N,"CL(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WYXZRRIQYUUDTN-ICMWPJOWSA-N
HMDB57136,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1",DKGJJSZCZYWRLR,ZALXKNISSA,N,"CL(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",DKGJJSZCZYWRLR-ZALXKNISSA-N
HMDB57137,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1",WBDXOOVRMIKFSS,FUUUZTKRSA,N,"CL(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",WBDXOOVRMIKFSS-FUUUZTKRSA-N
HMDB57138,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,36-37,39-40,43,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-35,38,41-42,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,43-36-,50-46-/t79?,80-,81-/m1/s1",NIKMYPOMPHNDBF,DZVPHHTMSA,N,"CL(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",NIKMYPOMPHNDBF-DZVPHHTMSA-N
HMDB57139,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1",PIEVFYLVPWKWOT,JVUJRHNSSA,N,"CL(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PIEVFYLVPWKWOT-JVUJRHNSSA-N
HMDB57140,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1",GLTCKVUKQUCJMT,VDROITKYSA,N,"CL(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GLTCKVUKQUCJMT-VDROITKYSA-N
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HMDB57142,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1",RUJRTIJWYWXVIE,CYFJBWIPSA,N,"CL(18:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",RUJRTIJWYWXVIE-CYFJBWIPSA-N
HMDB57143,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1",RPJLUXIQXYXGPB,MRYYWIIVSA,N,"CL(18:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",RPJLUXIQXYXGPB-MRYYWIIVSA-N
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HMDB57149,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36-37,39-40,43,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-35,38,41-42,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,43-36-,52-48-/t79?,80-,81-/m1/s1",VRHRUOZYMKIWKT,ZAIJEVONSA,N,"CL(18:0/18:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",VRHRUOZYMKIWKT-ZAIJEVONSA-N
HMDB57150,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1",QRUKKEARKNGSKN,ZMLGNIFOSA,N,"CL(18:0/18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QRUKKEARKNGSKN-ZMLGNIFOSA-N
HMDB57151,1433.034826398,C79H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h28,32,35,38,73-75,80H,5-27,29-31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,38-35-/t73?,74-,75-/m1/s1",ARRDXTNMDZVHST,WOZRXTEKSA,N,CL(18:0/18:1(9Z)/16:1(9Z)/18:0),ARRDXTNMDZVHST-WOZRXTEKSA-N
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HMDB57170,1471.050476462,C82H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,35-37,39-41,76-78,83H,5-24,26-28,30-34,38,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,39-35-,40-36-,41-37-/t76?,77-,78-/m1/s1",UAFURDMSNWYOPN,DUJYXVNVSA,N,"CL(18:0/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))",UAFURDMSNWYOPN-DUJYXVNVSA-N
HMDB57171,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35-37,40-42,46,54,58,77-79,84H,5-20,22-24,26-32,34,38-39,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,40-35-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1",RMNXQIUTQIPPMB,SDHNOQTLSA,N,"CL(18:0/18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",RMNXQIUTQIPPMB-SDHNOQTLSA-N
HMDB57172,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,35-37,39-40,42-43,48,52,60,64,79-81,86H,5-20,22-24,26-32,34,38,41,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,42-35-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1",HZDCFSAEOCXLFP,IAHUAQGSSA,N,"CL(18:0/18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HZDCFSAEOCXLFP-IAHUAQGSSA-N
HMDB57173,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35-37,39-40,42-43,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,38,41,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,43-36-,52-48-/t79?,80-,81-/m1/s1",LNTQKFWYXGLHBU,QRYNKRHBSA,N,"CL(18:0/18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LNTQKFWYXGLHBU-QRYNKRHBSA-N
HMDB57174,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35-37,39-40,42-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,38,41,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1",TWDBRKJRZORQJT,IXEQMCLPSA,N,"CL(18:0/18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",TWDBRKJRZORQJT-IXEQMCLPSA-N
HMDB57175,1473.066126526,C82H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,35,37,39,41,76-78,83H,5-24,26-28,30-34,36,38,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,39-35-,41-37-/t76?,77-,78-/m1/s1",WBOWDPXIEGLREZ,YYCUDGTBSA,N,"CL(18:0/18:1(9Z)/18:2(9Z,12Z)/18:0)",WBOWDPXIEGLREZ-YYCUDGTBSA-N
HMDB57176,1471.050476462,C82H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,35,37,39,41,76-78,83H,5-24,26-27,30-31,33-34,36,38,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,32-28-,39-35-,41-37-/t76?,77-,78-/m1/s1",QEOUHVGEWCQAIH,DTQNMVLDSA,N,"CL(18:0/18:1(9Z)/18:2(9Z,12Z)/18:1(11Z))",QEOUHVGEWCQAIH-DTQNMVLDSA-N
HMDB57177,1471.050476462,C82H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,35-37,39-41,76-78,83H,5-24,26-28,30-34,38,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,39-35-,40-36-,41-37-/t76?,77-,78-/m1/s1",PIYALMZUUHRSBX,DUJYXVNVSA,N,"CL(18:0/18:1(9Z)/18:2(9Z,12Z)/18:1(9Z))",PIYALMZUUHRSBX-DUJYXVNVSA-N
HMDB57178,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-26,29-30,36-38,40-42,77-79,84H,5-24,27-28,31-35,39,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,40-36-,41-37-,42-38-/t77?,78-,79-/m1/s1",ZYYJFTDMIOWTOP,GOMXNFIKSA,N,"CL(18:0/18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",ZYYJFTDMIOWTOP-GOMXNFIKSA-N
HMDB57179,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37,40,42,44,52,56,77-79,84H,5-20,22-24,26-32,34,36,38-39,41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,40-35-,44-42-,56-52-/t77?,78-,79-/m1/s1",VANGXIIYNGTQFI,KJCBQDCGSA,N,"CL(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:0)",VANGXIIYNGTQFI-KJCBQDCGSA-N
HMDB57180,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,35,37,40,42,44,52,56,77-79,84H,5-20,22-24,26-27,29-31,34,36,38-39,41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,37-33-,40-35-,44-42-,56-52-/t77?,78-,79-/m1/s1",HXYLTKMBNVDHMU,RBOUFWLESA,N,"CL(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",HXYLTKMBNVDHMU-RBOUFWLESA-N
HMDB57181,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35-37,40-42,44,52,56,77-79,84H,5-20,22-24,26-32,34,38-39,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,40-35-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1",ZLIMIFSZULCOTG,WTIJEVJZSA,N,"CL(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",ZLIMIFSZULCOTG-WTIJEVJZSA-N
HMDB57182,1503.019176334,C85H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-38,42-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,35,39-41,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,42-36-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1",KKZIEGPXPWDPPN,OFFHBDQGSA,N,"CL(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",KKZIEGPXPWDPPN-OFFHBDQGSA-N
HMDB57183,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,35,37,39-40,42,46,50,58,62,79-81,86H,5-20,22-24,26-32,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1",RXUKUAQDBYHLHO,YQAZVAOJSA,N,"CL(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",RXUKUAQDBYHLHO-YQAZVAOJSA-N
HMDB57184,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,35,37,39-40,42,46,50,58,62,79-81,86H,5-20,22-24,26-27,29-31,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,32-28-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1",PFDPQHUEQODDCL,BRMKXBTBSA,N,"CL(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",PFDPQHUEQODDCL-BRMKXBTBSA-N
HMDB57185,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,35-37,39-40,42-43,46,50,58,62,79-81,86H,5-20,22-24,26-32,34,38,41,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1",GFLQIEFJJCYDGT,VCZOIGLWSA,N,"CL(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",GFLQIEFJJCYDGT-VCZOIGLWSA-N
HMDB57186,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",MJIWSZLXIWPJMB,WOZFAUTPSA,N,"CL(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MJIWSZLXIWPJMB-WOZFAUTPSA-N
HMDB57187,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1",SBFNZNFAVKZENE,ICLQAAIVSA,N,"CL(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",SBFNZNFAVKZENE-ICLQAAIVSA-N
HMDB57188,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37,39-40,42,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,36,38,41,43-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,50-46-/t79?,80-,81-/m1/s1",AODWLNDYBOMFMR,VWNLKOMQSA,N,"CL(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",AODWLNDYBOMFMR-VWNLKOMQSA-N
HMDB57189,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,35,37,39-40,42,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34,36,38,41,43-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,42-35-,50-46-/t79?,80-,81-/m1/s1",TUCUIXKEUQIBSN,IEZXCQJGSA,N,"CL(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",TUCUIXKEUQIBSN-IEZXCQJGSA-N
HMDB57190,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35-37,39-40,42-43,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,38,41,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,43-36-,50-46-/t79?,80-,81-/m1/s1",HXNLZAUPWTWAEK,MQILWVJKSA,N,"CL(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",HXNLZAUPWTWAEK-MQILWVJKSA-N
HMDB57191,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1",AORCTEYUVMBTAP,AZJOQKRLSA,N,"CL(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AORCTEYUVMBTAP-AZJOQKRLSA-N
HMDB57192,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-/t83?,84-,85-/m1/s1",LPFAIQPUWPURDV,GLOJZDTFSA,N,"CL(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LPFAIQPUWPURDV-GLOJZDTFSA-N
HMDB57193,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37,39-40,42,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1",LJWHLULUBZMRHT,SJFUWSIFSA,N,"CL(18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",LJWHLULUBZMRHT-SJFUWSIFSA-N
HMDB57194,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,35,37,39-40,42,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1",OGAJGJSNGPDCIG,RHUXUMKZSA,N,"CL(18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",OGAJGJSNGPDCIG-RHUXUMKZSA-N
HMDB57195,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35-37,39-40,42-43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,38,41,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1",SVAHAUGECKZYTD,QKUGPPCOSA,N,"CL(18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",SVAHAUGECKZYTD-QKUGPPCOSA-N
HMDB57196,1551.019176334,C89H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",OBFYRWPJSYWCEX,OZRMKKQBSA,N,"CL(18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OBFYRWPJSYWCEX-OZRMKKQBSA-N
HMDB57197,1485.066126526,C83H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C83H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,37-38,41-42,77-79,84H,5-24,27-28,31-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,41-37-,42-38-/t78-,79-/m1/s1",NEOGRXLHSTVNRT,NWCNTATJSA,N,"CL(18:0/18:2(9Z,12Z)/18:0/18:2(9Z,12Z))",NEOGRXLHSTVNRT-NWCNTATJSA-N
HMDB57198,1495.050476462,C84H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,42-43,47,55,59,78-80,85H,5-20,22-24,27-29,31-32,34-36,39-41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1",NKOMXASNVSZLOY,POYCXWISSA,N,"CL(18:0/18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z))",NKOMXASNVSZLOY-POYCXWISSA-N
HMDB57199,1521.066126526,C86H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,40-41,44,49,53,61,65,80-82,87H,5-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1",PODJGIVIRHZPSW,XMYFPJIOSA,N,"CL(18:0/18:2(9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",PODJGIVIRHZPSW-XMYFPJIOSA-N
HMDB57200,1521.066126526,C86H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,53-49-/t80?,81-,82-/m1/s1",MDEOHLYQRYWPRT,OHMRXRMSSA,N,"CL(18:0/18:2(9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))",MDEOHLYQRYWPRT-OHMRXRMSSA-N
HMDB57201,1519.050476462,C86H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C86H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1",BFXGTAGYEVOEDL,XZFAACDKSA,N,"CL(18:0/18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",BFXGTAGYEVOEDL-XZFAACDKSA-N
HMDB57202,1445.034826398,C80H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C80H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25,28-29,32,36,39,74-76,81H,5-24,26-27,30-31,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,39-36-/t74?,75-,76-/m1/s1",OXTDEZBIIHVDIT,HOFSHNCOSA,N,"CL(18:0/18:2(9Z,12Z)/16:1(9Z)/18:0)",OXTDEZBIIHVDIT-HOFSHNCOSA-N
HMDB57203,1414.987876206,C78H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C78H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,27-29,31-32,35,37,72-74,79H,5-24,26,30,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1",ZQUONIPRBRAJKM,STFLURBHSA,N,"CL(18:0/18:2(9Z,12Z)/16:1(9Z)/16:1(9Z))",ZQUONIPRBRAJKM-STFLURBHSA-N
HMDB57204,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,36-37,39-40,75-77,82H,5-24,27,31,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1",CKOOISCZDDJLTD,UMASBSJLSA,N,"CL(18:0/18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z))",CKOOISCZDDJLTD-UMASBSJLSA-N
HMDB57205,1473.066126526,C82H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,37,41,76-78,83H,5-24,27-28,31-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,41-37-/t76?,77-,78-/m1/s1",VKHMWPQLUJMWLO,ASSDCFGBSA,N,"CL(18:0/18:2(9Z,12Z)/18:1(11Z)/18:0)",VKHMWPQLUJMWLO-ASSDCFGBSA-N
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HMDB57207,1471.050476462,C82H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,36-37,40-41,76-78,83H,5-24,27-28,31-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,40-36-,41-37-/t76?,77-,78-/m1/s1",SMDZXONJRDQYPL,LJANSXLZSA,N,"CL(18:0/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))",SMDZXONJRDQYPL-LJANSXLZSA-N
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HMDB57215,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,36-37,39-40,75-77,82H,5-24,27,31,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1",APXHKSPNXGGSAG,UMASBSJLSA,N,"CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))",APXHKSPNXGGSAG-UMASBSJLSA-N
HMDB57216,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,37-38,41-42,77-79,84H,5-24,27,31,33-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,32-28-,41-37-,42-38-/t77?,78-,79-/m1/s1",AYMNOELEMYRLOQ,MYHQXTHSSA,N,"CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))",AYMNOELEMYRLOQ-MYHQXTHSSA-N
HMDB57217,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,36-38,40-42,77-79,84H,5-24,27-28,31-35,39,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,40-36-,41-37-,42-38-/t77?,78-,79-/m1/s1",DDMMCUCCPRJCNG,GOMXNFIKSA,N,"CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))",DDMMCUCCPRJCNG-GOMXNFIKSA-N
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HMDB57219,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,37-39,42-44,48,56,60,79-81,86H,5-20,22-24,28-29,32,34-36,40-41,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,42-38-,43-39-,48-44-,60-56-/t79?,80-,81-/m1/s1",BZWNTILQWUUATR,LBDYJGMISA,N,"CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",BZWNTILQWUUATR-LBDYJGMISA-N
HMDB57220,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1",GJXWXAAESZTRQM,SSVXXFNYSA,N,"CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GJXWXAAESZTRQM-SSVXXFNYSA-N
HMDB57221,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1",QVVAWOFYIDHUQS,UELGDAKTSA,N,"CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QVVAWOFYIDHUQS-UELGDAKTSA-N
HMDB57222,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1",XGJIURGXTPVJTF,PTMSKGLJSA,N,"CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",XGJIURGXTPVJTF-PTMSKGLJSA-N
HMDB57223,1495.050476462,C84H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,42-43,45,53,57,78-80,85H,5-20,22-24,27-29,31-32,34-36,39-41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1",SWVWROFULDOBIM,ZOIIGMJESA,N,"CL(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:0)",SWVWROFULDOBIM-ZOIIGMJESA-N
HMDB57224,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,42-44,46,54,58,79-81,86H,5-20,22-24,28-29,32,34-36,40-41,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1",YUPXGACYQUDHMJ,VZAGVFDGSA,N,"CL(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",YUPXGACYQUDHMJ-VZAGVFDGSA-N
HMDB57225,1515.019176334,C86H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,28-30,32,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1",KUJKQKNROCRSEF,PTUCGRRMSA,N,"CL(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",KUJKQKNROCRSEF-PTUCGRRMSA-N
HMDB57226,1521.066126526,C86H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,40-41,44,47,51,59,63,80-82,87H,5-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1",BXXZFABKRZZGRN,DBNGKPJISA,N,"CL(18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",BXXZFABKRZZGRN-DBNGKPJISA-N
HMDB57227,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1",XXEIHRZVTACOER,FBXAYDBRSA,N,"CL(18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",XXEIHRZVTACOER-FBXAYDBRSA-N
HMDB57228,1567.050476462,C90H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1",BAUXLORGXXFYGS,QHFSSAKZSA,N,"CL(18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",BAUXLORGXXFYGS-QHFSSAKZSA-N
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HMDB57235,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1",PNIXLNCQTOQAGW,MSOJLJHZSA,N,"CL(18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",PNIXLNCQTOQAGW-MSOJLJHZSA-N
HMDB57236,1563.019176334,C90H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C90H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1",KJXVVYIZQPKLAB,IIONLRKHSA,N,"CL(18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KJXVVYIZQPKLAB-IIONLRKHSA-N
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HMDB57238,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,40,42,45,49-50,54,57,61-62,66,81-83,88H,5-20,23-24,27-32,35-36,39,41,43-44,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,49-45-,54-50-,61-57-,66-62-/t81?,82-,83-/m1/s1",RLXZCDYUHAVRBT,FLGHATCESA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))",RLXZCDYUHAVRBT-FLGHATCESA-N
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HMDB57241,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25,28,32-33,36,40,44,52,56,75-77,82H,5-20,22-24,26-27,29-31,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1",CNACGOVUSIPTLO,CRLIMSPWSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/18:0)",CNACGOVUSIPTLO-CRLIMSPWSA-N
HMDB57242,1424.972226142,C79H142O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,27-28,31-33,35,38,42,50,54,73-75,80H,5-20,22-24,26,29-30,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1",RHKHBUNLWKODHU,WMLVGJRNSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/16:1(9Z))",RHKHBUNLWKODHU-WMLVGJRNSA-N
HMDB57243,1474.987876206,C83H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,36-37,41-42,45-46,53-54,57-58,77-79,84H,5-20,23-24,27,29-31,35,38-40,43-44,47-52,55-56,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,45-41-,46-42-,57-53-,58-54-/t77?,78-,79-/m1/s1",TZMKNPHJDZFXMB,JXAYTUJSSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",TZMKNPHJDZFXMB-JXAYTUJSSA-N
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HMDB57245,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,37,42,46,54,58,77-79,84H,5-20,22-24,27,29,31,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,37-33-,46-42-,58-54-/t77?,78-,79-/m1/s1",GJWMPRHSXGPRRR,KCWIDEGMSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))",GJWMPRHSXGPRRR-KCWIDEGMSA-N
HMDB57246,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,36-37,41-42,46,54,58,77-79,84H,5-20,22-24,27-29,31-32,34-35,38-40,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,37-33-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1",FCSQOTOZMUOIDW,RFHRPWLYSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(9Z))",FCSQOTOZMUOIDW-RFHRPWLYSA-N
HMDB57247,1503.019176334,C85H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-38,43-44,47-48,55-56,59-60,79-81,86H,5-20,23-24,28-30,32,35-36,39-42,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,37-33-,38-34-,47-43-,48-44-,59-55-,60-56-/t79?,80-,81-/m1/s1",RWIYVRJNTOXCFY,JWXMNNPVSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",RWIYVRJNTOXCFY-JWXMNNPVSA-N
HMDB57248,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-34,37,39,42,46,54,58,77-79,84H,5-20,22-24,26-32,35-36,38,40-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,39-34-,46-42-,58-54-/t77?,78-,79-/m1/s1",SMAZAMGFOOJTGX,MOKZWENFSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:0)",SMAZAMGFOOJTGX-MOKZWENFSA-N
HMDB57249,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,28,32-34,37,39,42,46,54,58,77-79,84H,5-20,22-24,26-27,29-31,35-36,38,40-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,37-33-,39-34-,46-42-,58-54-/t77?,78-,79-/m1/s1",GYLSELFSKHAUOH,VLISBAFVSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(11Z))",GYLSELFSKHAUOH-VLISBAFVSA-N
HMDB57250,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-34,36-37,39,41-42,46,54,58,77-79,84H,5-20,22-24,26-32,35,38,40,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,39-34-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1",KSDNZZRNWTYRSL,ZDKGTHEXSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(9Z))",KSDNZZRNWTYRSL-ZDKGTHEXSA-N
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HMDB57257,1474.987876206,C83H144O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1",REHWPXCICACQNC,GGJPBUDWSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",REHWPXCICACQNC-GGJPBUDWSA-N
HMDB57258,1503.019176334,C85H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27,29-31,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,32-28-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1",FNXGKXDKLFPESW,GKKQDYFMSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",FNXGKXDKLFPESW-GKKQDYFMSA-N
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HMDB57260,1515.019176334,C86H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,28-30,32,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1",IMYHRUUOPQBEPL,PTUCGRRMSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",IMYHRUUOPQBEPL-PTUCGRRMSA-N
HMDB57261,1525.00352627,C87H146O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,44-46,48-50,56-58,60-62,81-83,88H,5-20,24,28-32,36,40-43,47,51-55,59,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,48-44-,49-45-,50-46-,60-56-,61-57-,62-58-/t81?,82-,83-/m1/s1",ODFISSRFBRWLNK,GQAKVPAKSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",ODFISSRFBRWLNK-GQAKVPAKSA-N
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HMDB57266,1551.019176334,C89H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,41,44,47-48,50-52,54,59-60,62-64,66,83-85,90H,5-20,24,28-32,36,40,42-43,45-46,49,53,55-58,61,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,51-47-,52-48-,54-50-,63-59-,64-60-,66-62-/t83?,84-,85-/m1/s1",SAPIXJUQQUMKRO,VPYJKOBDSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",SAPIXJUQQUMKRO-VPYJKOBDSA-N
HMDB57267,1577.034826398,C91H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1",HMVHPUYTNDZKIR,GHACTTGRSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HMVHPUYTNDZKIR-GHACTTGRSA-N
HMDB57268,1577.034826398,C91H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,64-65,68,85-87,92H,5-9,11-13,15-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-63,66-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-/t85?,86-,87-/m1/s1",PWKCLZGVPIEHFO,RCHNVAPFSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PWKCLZGVPIEHFO-RCHNVAPFSA-N
HMDB57269,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,40,42,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1",KHACYZKMRDIOHU,OARTZARGSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",KHACYZKMRDIOHU-OARTZARGSA-N
HMDB57270,1551.019176334,C89H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,41,44,47-48,50-52,54,59-60,63-64,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45-46,49,53,55-58,61-62,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,51-47-,52-48-,54-50-,63-59-,64-60-/t83?,84-,85-/m1/s1",XCTLRJVFSNFKEA,LSANDQSMSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",XCTLRJVFSNFKEA-LSANDQSMSA-N
HMDB57271,1577.034826398,C91H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,65-66,70,85-87,92H,5-8,10-12,14-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-64,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,70-66-/t85?,86-,87-/m1/s1",VVMNGWXWBFXIDZ,NGQMHRETSA,N,"CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VVMNGWXWBFXIDZ-NGQMHRETSA-N
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HMDB57287,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,37-38,41-44,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35-36,39-40,45-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1",PWGQEASKMGQJMH,SRYAGCHHSA,N,"CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",PWGQEASKMGQJMH-SRYAGCHHSA-N
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HMDB57289,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,28,32-34,37,39-41,48,52,60,64,79-81,86H,5-20,22-24,26-27,29-31,35-36,38,42-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,32-28-,37-33-,40-39-,41-34-,52-48-,64-60-/t79?,80-,81-/m1/s1",FGDHBEHTDSOXHQ,QNZBKWMUSA,N,"CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(11Z))",FGDHBEHTDSOXHQ-QNZBKWMUSA-N
HMDB57290,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33-34,36-37,39-41,43,48,52,60,64,79-81,86H,5-20,22-24,26-32,35,38,42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,41-34-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1",DXLLPHPGVZFMQK,OOGIYQMTSA,N,"CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(9Z))",DXLLPHPGVZFMQK-OOGIYQMTSA-N
HMDB57291,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-35,37-38,41-45,51-52,55-56,63-64,67-68,83-85,90H,5-20,23-24,27-32,36,39-40,46-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1",HLODOQCLYNKJJJ,XWKKMBBGSA,N,"CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HLODOQCLYNKJJJ-XWKKMBBGSA-N
HMDB57292,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-35,37-38,41-45,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,36,39-40,46-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1",DVYGDUYFWDEARC,VPPBLZDBSA,N,"CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DVYGDUYFWDEARC-VPPBLZDBSA-N
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HMDB57334,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-34,37-38,41-44,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,35-36,39-40,45-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1",ZAGTYBJYXSGRLN,RERQMTFQSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZAGTYBJYXSGRLN-RERQMTFQSA-N
HMDB57335,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,51-52,55-56,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-50,53-54,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-/t83?,84-,85-/m1/s1",RBMKCIJKBBXWEU,OFXUQTCISA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",RBMKCIJKBBXWEU-OFXUQTCISA-N
HMDB57336,1509.066126526,C85H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,37,39-41,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,35-36,38,42-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,52-48-/t79?,80-,81-/m1/s1",KHVUYQFUBOEKFP,STRRVWKQSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:0)",KHVUYQFUBOEKFP-STRRVWKQSA-N
HMDB57337,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,37,39-41,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,35-36,38,42-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,41-34-,52-48-/t79?,80-,81-/m1/s1",IMKRADUYZFZRMG,SCUOMMHHSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z))",IMKRADUYZFZRMG-SCUOMMHHSA-N
HMDB57338,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,39-41,43,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,35,38,42,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,43-36-,52-48-/t79?,80-,81-/m1/s1",LTVRCRYZSXSERR,LYOWDDLVSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(9Z))",LTVRCRYZSXSERR-LYOWDDLVSA-N
HMDB57339,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,36-38,41-44,46,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35,39-40,45,47-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1",LGKHILGNXJSZMZ,NOCYXWNRSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LGKHILGNXJSZMZ-NOCYXWNRSA-N
HMDB57340,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-35,37-38,41-45,51-52,55-56,83-85,90H,5-8,11-12,15-20,23-24,27-32,36,39-40,46-50,53-54,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,55-51-,56-52-/t83?,84-,85-/m1/s1",GNTQQCAEYMGETF,UKONECDUSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",GNTQQCAEYMGETF-UKONECDUSA-N
HMDB57341,1521.066126526,C86H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,53-49-/t80?,81-,82-/m1/s1",LVRYSKJWGQZCJI,OHMRXRMSSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:0)",LVRYSKJWGQZCJI-OHMRXRMSSA-N
HMDB57342,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1",YCEJCCFZRGZRTI,UELGDAKTSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",YCEJCCFZRGZRTI-UELGDAKTSA-N
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HMDB57344,1567.050476462,C90H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,52-53,56-57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-51,54-55,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,56-52-,57-53-/t84?,85-,86-/m1/s1",QPLUJGHVFLDHHN,KZKLCZAXSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QPLUJGHVFLDHHN-KZKLCZAXSA-N
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HMDB57354,1567.050476462,C90H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1",RVDMNOGARMCOJM,CXGBXINPSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",RVDMNOGARMCOJM-CXGBXINPSA-N
HMDB57355,1577.034826398,C91H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,64-65,68,85-87,92H,5-9,11-13,15-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-63,66-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-/t85?,86-,87-/m1/s1",RFTKVGKXUGZEKR,RCHNVAPFSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",RFTKVGKXUGZEKR-RCHNVAPFSA-N
HMDB57356,1603.050476462,C93H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66,68,70,72,87-89,94H,5-9,11-13,15-20,24,28-32,36,40-42,49-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1",WTNUZCXJAUAGMP,DQUHJBRISA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WTNUZCXJAUAGMP-DQUHJBRISA-N
HMDB57357,1603.050476462,C93H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66,70,87-89,94H,5-9,12-13,16-20,24,28-32,36,40-42,49-53,57,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-/t87?,88-,89-/m1/s1",CVNMZDBAWNOHML,VIDGZGLISA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CVNMZDBAWNOHML-VIDGZGLISA-N
HMDB57358,1601.034826398,C93H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66,68,70,72,87-89,94H,5-9,12-13,16-20,24,28-32,36,40-42,49-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1",UZTCNSVMTOEZAL,GKGHKDPUSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UZTCNSVMTOEZAL-GKGHKDPUSA-N
HMDB57359,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1",JOLQOIBHNJSZGW,HTFVCBMRSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",JOLQOIBHNJSZGW-HTFVCBMRSA-N
HMDB57360,1557.066126526,C89H154O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1",NSPLVASZSQWQMZ,FKCVEDCNSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",NSPLVASZSQWQMZ-FKCVEDCNSA-N
HMDB57361,1527.019176334,C87H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1",PKLZINVHNKPWPG,YYSIIHQBSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",PKLZINVHNKPWPG-YYSIIHQBSA-N
HMDB57362,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1",NLGOJYKWSYVMBS,VDROITKYSA,N,"CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",NLGOJYKWSYVMBS-VDROITKYSA-N
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HMDB57379,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1",UXHQVUDUQSUMBC,GDPAEURLSA,N,"CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(9Z))",UXHQVUDUQSUMBC-GDPAEURLSA-N
HMDB57380,1551.019176334,C89H148O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,51-52,55-56,63-64,67-68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1",QMBSALVAHPLPTJ,ZEVVNJNXSA,N,"CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",QMBSALVAHPLPTJ-ZEVVNJNXSA-N
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HMDB57382,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,37,39-41,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,35-36,38,42-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,41-34-,52-48-,64-60-/t79?,80-,81-/m1/s1",MFYKKZPBPUGYHP,GLHBIELWSA,N,"CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z))",MFYKKZPBPUGYHP-GLHBIELWSA-N
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HMDB57430,1398.956576078,C77H140O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-26,30,33-34,36,40,46,50,71-73,78H,5-20,22-24,27-29,31-32,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1",VQLCYDHINCYOEF,YWWYFTMXSA,N,"CL(16:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/16:0)",VQLCYDHINCYOEF-YWWYFTMXSA-N
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HMDB57435,1498.987876206,C85H144O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-20,23-24,28-30,32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1",VOEUBOPVROHHFK,NEPYTXAKSA,N,"CL(16:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VOEUBOPVROHHFK-NEPYTXAKSA-N
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HMDB57438,1422.956576078,C79H140O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,27,29,31,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,32-28-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1",HUHNXAAZUNPLBU,IYTDELBUSA,N,"CL(16:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",HUHNXAAZUNPLBU-IYTDELBUSA-N
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HMDB57513,1460.972226142,C82H142O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h21,25-28,30-33,35-36,38-40,45,49,57,61,76-78,83H,5-20,22-24,29,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1",DZLGGYCKEJJDEU,OVVFLMAVSA,N,"CL(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DZLGGYCKEJJDEU-OVVFLMAVSA-N
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HMDB57518,1394.92527595,C77H136O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C77H136O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-28,30-34,36,40,46,50,71-73,78H,5-20,22-24,29,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,31-27-,32-28-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1",KQAJUCVIIUQLFY,OYIWUOTRSA,N,"CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",KQAJUCVIIUQLFY-OYIWUOTRSA-N
HMDB57519,1422.956576078,C79H140O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25-28,30-33,35,38,41,48,52,73-75,80H,5-20,22-24,29,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1",NPXFZQCKCQLGKQ,PJUYBUNRSA,N,"CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",NPXFZQCKCQLGKQ-PJUYBUNRSA-N
HMDB57520,1422.956576078,C79H140O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,27-28,31-35,37-38,41,48,52,73-75,80H,5-20,22-24,26,29-30,36,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,37-34-,41-38-,52-48-/t73?,74-,75-/m1/s1",HKEFEIWCVZWSNQ,AQXIYPPHSA,N,"CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",HKEFEIWCVZWSNQ-AQXIYPPHSA-N
HMDB57521,1434.956576078,C80H140O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C80H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-36-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3/h21,25-28,30-33,35-36,38-39,42,49,53,74-76,81H,5-20,22-24,29,34,37,40-41,43-48,50-52,54-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-36-,42-39-,53-49-/t74?,75-,76-/m1/s1",KHPMOEBELBHAMO,DWSACQBASA,N,"CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",KHPMOEBELBHAMO-DWSACQBASA-N
HMDB57522,1444.940926014,C81H138O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21-22,25-28,31-36,39-40,43-44,50,52,54,56,75-77,82H,5-20,23-24,29-30,37-38,41-42,45-49,51,53,55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,43-39-,44-40-,54-50-,56-52-/t75?,76-,77-/m1/s1",FGLUZKJYEPNFGL,HXAQZNDASA,N,"CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",FGLUZKJYEPNFGL-HXAQZNDASA-N
HMDB57523,1470.956576078,C83H140O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h21-22,25-28,31-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-20,23-24,29-30,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1",MUGXIQKRYVSPBS,JRGPAHBOSA,N,"CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MUGXIQKRYVSPBS-JRGPAHBOSA-N
HMDB57524,1470.956576078,C83H140O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-36,38,40-41,45-46,50,52,56,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47-49,51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-/t77?,78-,79-/m1/s1",HWCLKHWLATYUGR,SXTYFXAJSA,N,"CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HWCLKHWLATYUGR-SXTYFXAJSA-N
HMDB57525,1468.940926014,C83H138O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1",YTRJOXUISJCGNQ,XVLWHSKYSA,N,"CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YTRJOXUISJCGNQ-XVLWHSKYSA-N
HMDB57526,1422.956576078,C79H140O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-27,30-31,33-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,28-29,32,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1",RKIWETFRIYHDCF,JDMTUPGZSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",RKIWETFRIYHDCF-JDMTUPGZSA-N
HMDB57527,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,27-28,31-33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,26,29-30,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1",NEHVAZNKZNNMJQ,UYOFKUFDSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",NEHVAZNKZNNMJQ-UYOFKUFDSA-N
HMDB57528,1420.940926014,C79H138O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-28,30-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,29,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1",CVZCWIVWSBAJIU,BLXCFSQBSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",CVZCWIVWSBAJIU-BLXCFSQBSA-N
HMDB57529,1448.972226142,C81H142O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25-28,30-33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,29,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1",YYBUMSJDIXQQET,AWJARCTPSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",YYBUMSJDIXQQET-AWJARCTPSA-N
HMDB57530,1448.972226142,C81H142O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,27-28,31-35,37-39,43,46,54,58,75-77,82H,5-20,22-24,26,29-30,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1",BZKNTXPFPQBIHU,WFTVMOFPSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",BZKNTXPFPQBIHU-WFTVMOFPSA-N
HMDB57531,1460.972226142,C82H142O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h21,25-28,30-33,35-36,38-40,44,47,55,59,76-78,83H,5-20,22-24,29,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1",NWQNZTAFZXFRTN,UDQPHHQKSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",NWQNZTAFZXFRTN-UDQPHHQKSA-N
HMDB57532,1470.956576078,C83H140O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h21-22,25-28,31-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-20,23-24,29-30,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77?,78-,79-/m1/s1",FHXMIBVYDGVDQZ,PKESOQLRSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",FHXMIBVYDGVDQZ-PKESOQLRSA-N
HMDB57533,1496.972226142,C85H142O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h21-22,25-28,31-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-20,23-24,29-30,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1",QHCZEWJHLSLCME,UHROHTBCSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",QHCZEWJHLSLCME-UHROHTBCSA-N
HMDB57534,1496.972226142,C85H142O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-36,39-42,47-48,50,52,58,62,79-81,86H,5-9,11-13,15-20,23-24,29-30,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1",FAHTVUCUMUDGOR,XBMQLWNYSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FAHTVUCUMUDGOR-XBMQLWNYSA-N
HMDB57535,1494.956576078,C85H140O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-9,11-13,15-20,23-24,29-30,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1",IPNBKAMMGVNJMM,QEQZFEEBSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IPNBKAMMGVNJMM-QEQZFEEBSA-N
HMDB57536,1422.956576078,C79H140O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,28-29,32,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,31-27-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1",WOEURZJGXBHHDJ,ZKVVYMIXSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",WOEURZJGXBHHDJ-ZKVVYMIXSA-N
HMDB57537,1450.987876206,C81H144O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,27-28,31-33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1",KJJMGVORCYHLOD,XKODFBIASA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",KJJMGVORCYHLOD-XKODFBIASA-N
HMDB57538,1420.940926014,C79H138O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,29,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,31-27-,32-28-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1",YUSOKHRSEHADNR,TXHVKUNHSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",YUSOKHRSEHADNR-TXHVKUNHSA-N
HMDB57539,1448.972226142,C81H142O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1",CWAJUTSTCNQHBE,DCDZQLRHSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",CWAJUTSTCNQHBE-DCDZQLRHSA-N
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HMDB57541,1460.972226142,C82H142O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,35-36,38-40,44,47,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-43,45-46,48-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-44-/t76?,77-,78-/m1/s1",PQSQBJUAOYBBBV,RXXPBGQFSA,N,"CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",PQSQBJUAOYBBBV-RXXPBGQFSA-N
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HMDB57548,1418.92527595,C79H136O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H136O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,29,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,31-27-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1",YCYQRUDYZJQLHK,GCTXWFTFSA,N,"CL(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",YCYQRUDYZJQLHK-GCTXWFTFSA-N
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HMDB57588,1450.987876206,C81H144O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,40,42,50,54,75-77,82H,5-20,22-24,29,34-35,37-39,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,36-33-,42-40-,54-50-/t75?,76-,77-/m1/s1",AFNONUAIMACEPZ,LTKIJZBUSA,N,"CL(16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",AFNONUAIMACEPZ-LTKIJZBUSA-N
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HMDB57645,1477.00352627,C83H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,44,48,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-44-/t77?,78-,79-/m1/s1",WAJCGPMJADQOFB,KSMOLRRGSA,N,"CL(16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",WAJCGPMJADQOFB-KSMOLRRGSA-N
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HMDB57647,1525.00352627,C87H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-37,40-44,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,38-39,45-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1",PYMXXONOTXFEQD,HEAJTKTNSA,N,"CL(16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PYMXXONOTXFEQD-HEAJTKTNSA-N
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HMDB57649,1446.956576078,C81H140O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-35,37-39,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1",HOCSPHNAJBCHNB,OXFLVUDKSA,N,"CL(16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",HOCSPHNAJBCHNB-OXFLVUDKSA-N
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HMDB57680,1501.00352627,C85H146O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-43,46,50,58,62,79-81,86H,5-20,22-24,29,34-35,39,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-46-,62-58-/t79?,80-,81-/m1/s1",LZGHDBMEMNZGEP,RKDKBGEKSA,N,"CL(16:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",LZGHDBMEMNZGEP-RKDKBGEKSA-N
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HMDB57682,1537.00352627,C88H146O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,36-38,41-45,49,51,53,55,61,65,82-84,89H,5-9,11-13,15-20,23-24,29-30,35,39-40,46-48,50,52,54,56-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-/t82?,83-,84-/m1/s1",IAIDCGABBIFQHF,FLHFSSLQSA,N,"CL(16:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",IAIDCGABBIFQHF-FLHFSSLQSA-N
HMDB57683,1460.972226142,C82H142O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35-36,38-40,44,47,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-43,45-46,48-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-44-/t76?,77-,78-/m1/s1",RHZAKPRYUZFWCM,RXXPBGQFSA,N,"CL(16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",RHZAKPRYUZFWCM-RXXPBGQFSA-N
HMDB57684,1501.00352627,C85H146O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,46,50,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-46-/t79?,80-,81-/m1/s1",RMQHIBDINFKQJX,VRNXSNKKSA,N,"CL(16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",RMQHIBDINFKQJX-VRNXSNKKSA-N
HMDB57685,1537.00352627,C88H146O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,36-38,41-45,49,51,53,55,63,67,82-84,89H,5-8,10-12,14-20,23-24,29-30,35,39-40,46-48,50,52,54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,67-63-/t82?,83-,84-/m1/s1",YJAOWONQRCQTQL,SIXSHVMWSA,N,"CL(16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",YJAOWONQRCQTQL-SIXSHVMWSA-N
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HMDB57687,1458.956576078,C82H140O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C82H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35-36,38-40,44,47,55,59,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1",PWLCWCXUTJIGBL,ULRGJEQUSA,N,"CL(16:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",PWLCWCXUTJIGBL-ULRGJEQUSA-N
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HMDB57692,1470.956576078,C83H140O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,38,40-41,45-46,50,53,57,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47-49,51-52,54-56,58-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,57-53-/t77?,78-,79-/m1/s1",UYPASQUXYMSTLM,JHWYXMECSA,N,"CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UYPASQUXYMSTLM-JHWYXMECSA-N
HMDB57693,1468.940926014,C83H138O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,38,40-41,45-46,50,53,57-58,62,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47-49,51-52,54-56,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,57-53-,62-58-/t77?,78-,79-/m1/s1",DOSFGUJZHWHRFJ,LLCNKLJXSA,N,"CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",DOSFGUJZHWHRFJ-LLCNKLJXSA-N
HMDB57694,1422.956576078,C79H140O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,38,42,50,54,73-75,80H,5-20,22-24,29,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1",PPCYBZHXXMHHID,PCEVVLCUSA,N,"CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/16:1(9Z))",PPCYBZHXXMHHID-PCEVVLCUSA-N
HMDB57695,1450.987876206,C81H144O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,40,44,52,56,75-77,82H,5-20,22-24,29,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1",MUAVXCDIQULTSG,MGOMBCMLSA,N,"CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))",MUAVXCDIQULTSG-MGOMBCMLSA-N
HMDB57696,1450.987876206,C81H144O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,39-40,44,52,56,75-77,82H,5-20,22-24,27,29,31,34,37-38,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,32-28-,36-33-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1",AWFKQNBIRYUSNA,CELYPYQASA,N,"CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(9Z))",AWFKQNBIRYUSNA-CELYPYQASA-N
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HMDB57731,1477.00352627,C83H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,38-39,41,46,50,58,62,77-79,84H,5-20,22-24,27,29,31,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1",JBAWXCLXSHJSDH,QQFLBZPESA,N,"CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:1(9Z))",JBAWXCLXSHJSDH-QQFLBZPESA-N
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HMDB57734,1448.972226142,C81H142O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-35,37-39,44,48,56,60,75-77,82H,5-20,22-24,26,29-30,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1",JGVREIMLMFQPJO,WKMNXSFBSA,N,"CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/16:1(9Z))",JGVREIMLMFQPJO-WKMNXSFBSA-N
HMDB57735,1477.00352627,C83H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38-40,46,50,58,62,77-79,84H,5-20,22-24,26,29-30,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1",UFJQAEYALZZTHV,UHQKNRSNSA,N,"CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(11Z))",UFJQAEYALZZTHV-UHQKNRSNSA-N
HMDB57736,1477.00352627,C83H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-41,46,50,58,62,77-79,84H,5-20,22-24,26-27,29-31,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1",PCSMWOWWBHLPNS,WGZWRKDFSA,N,"CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(9Z))",PCSMWOWWBHLPNS-WGZWRKDFSA-N
HMDB57737,1525.00352627,C87H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-37,40-44,49-50,53-54,61-62,65-66,81-83,88H,5-20,23-24,27,29-31,38-39,45-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1",LJVFDKRFYBMKLQ,KMSSROKHSA,N,"CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",LJVFDKRFYBMKLQ-KMSSROKHSA-N
HMDB57738,1525.00352627,C87H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-37,40-44,49-50,53-54,61,65,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,38-39,45-48,51-52,55-60,62-64,66-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,65-61-/t81?,82-,83-/m1/s1",POCVFGSIIKTSDI,LLWZYWBNSA,N,"CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",POCVFGSIIKTSDI-LLWZYWBNSA-N
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HMDB57775,1477.00352627,C83H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,46,50,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-/t77?,78-,79-/m1/s1",DRWKWCALTWRMOQ,GVLMGVDKSA,N,"CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(9Z))",DRWKWCALTWRMOQ-GVLMGVDKSA-N
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HMDB57786,1537.00352627,C88H146O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,50-51,54-55,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-49,52-53,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-/t82?,83-,84-/m1/s1",JXKRXKROZYGFRT,HSUNVAALSA,N,"CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JXKRXKROZYGFRT-HSUNVAALSA-N
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HMDB57823,1520.972226142,C87H142O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-37,40-44,49-50,53-54,61-62,65-66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1",WNMHGKLLGWIGRP,GLNCMEEISA,N,"CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WNMHGKLLGWIGRP-GLNCMEEISA-N
HMDB57824,1458.956576078,C82H140O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C82H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35-36,38-40,45,49,57,61,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1",OGIDDTHGHYLFIR,LNNYDEMHSA,N,"CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/16:1(9Z))",OGIDDTHGHYLFIR-LNNYDEMHSA-N
HMDB57825,1498.987876206,C85H144O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)101-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1",OWJDELATBHMEHP,FVGVPULYSA,N,"CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",OWJDELATBHMEHP-FVGVPULYSA-N
HMDB57826,1532.972226142,C88H142O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C88H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,50-51,54-55,62-63,66-67,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-49,52-53,56-61,64-65,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-,66-62-,67-63-/t82?,83-,84-/m1/s1",RKARGXFGCZJEIC,ZYXYQFKBSA,N,"CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",RKARGXFGCZJEIC-ZYXYQFKBSA-N
HMDB57827,1468.940926014,C83H138O17P2,CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C83H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1",IREZMTYESKHZQX,XVLWHSKYSA,N,"CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",IREZMTYESKHZQX-XVLWHSKYSA-N
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HMDB57918,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,27,29,31,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1",QEHBNSPJPKJAMP,CDVDLMPVSA,N,"CL(18:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",QEHBNSPJPKJAMP-CDVDLMPVSA-N
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HMDB57920,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",DBWQUAHWJUKMGI,QTPPGAAJSA,N,"CL(18:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DBWQUAHWJUKMGI-QTPPGAAJSA-N
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HMDB57928,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,27,29,31,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1",WPTKZQOZPJPZPA,QZAPTRSYSA,N,"CL(18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",WPTKZQOZPJPZPA-QZAPTRSYSA-N
HMDB57929,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1",YNSSAEWRCRCJBJ,AYCGYWNESA,N,"CL(18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",YNSSAEWRCRCJBJ-AYCGYWNESA-N
HMDB57930,1551.019176334,C89H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",TUCIJKGDNPOTRM,WOILWQOCSA,N,"CL(18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",TUCIJKGDNPOTRM-WOILWQOCSA-N
HMDB57931,1400.972226142,C77H142O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25-32,71-73,78H,5-24,33-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-,31-27-,32-28-/t72-,73-/m1/s1",YFEHEGGPNCCBLD,KGWSIKJJSA,N,CL(18:1(11Z)/16:1(9Z)/18:1(11Z)/16:1(9Z)),YFEHEGGPNCCBLD-KGWSIKJJSA-N
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HMDB57948,1474.987876206,C83H144O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1",KPLHUQXVUIGUCA,ADLJNBIGSA,N,"CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",KPLHUQXVUIGUCA-ADLJNBIGSA-N
HMDB57949,1412.972226142,C78H142O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-38-31-27-23-19-15-11-7-3)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25-32,35,37,72-74,79H,5-24,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1",QEDLJUOUHBIFNV,PJEDPXJBSA,N,"CL(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z)/16:1(9Z))",QEDLJUOUHBIFNV-PJEDPXJBSA-N
HMDB57950,1441.00352627,C80H146O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-32,36,39,74-76,81H,5-24,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,32-28-,39-36-/t74?,75-,76-/m1/s1",CDHUETIAWOOVCQ,YADUFYSUSA,N,"CL(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z)/18:1(11Z))",CDHUETIAWOOVCQ-YADUFYSUSA-N
HMDB57951,1441.00352627,C80H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-36,38-39,74-76,81H,5-24,27,31,33-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,32-28-,38-35-,39-36-/t74?,75-,76-/m1/s1",LBPNKIMLBJSJLI,VRERIKSPSA,N,"CL(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z)/18:1(9Z))",LBPNKIMLBJSJLI-VRERIKSPSA-N
HMDB57952,1453.00352627,C81H146O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h25-32,36-37,39-40,75-77,82H,5-24,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1",LNGXYFPGJCDXSX,JZCXMBJYSA,N,"CL(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",LNGXYFPGJCDXSX-JZCXMBJYSA-N
HMDB57953,1422.956576078,C79H140O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-41-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,38,42,48,52,73-75,80H,5-20,22-24,29,34,36-37,39-41,43-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,35-33-,42-38-,52-48-/t73?,74-,75-/m1/s1",FSYBJNXZMNWGBL,VSSXEFBWSA,N,"CL(18:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",FSYBJNXZMNWGBL-VSSXEFBWSA-N
HMDB57954,1450.987876206,C81H144O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,40,43,50,54,75-77,82H,5-20,22-24,29,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1",FOYWBXBILAOQPU,YQPJEJRXSA,N,"CL(18:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",FOYWBXBILAOQPU-YQPJEJRXSA-N
HMDB57955,1450.987876206,C81H144O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,39-40,43,50,54,75-77,82H,5-20,22-24,27,29,31,34,37-38,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,32-28-,36-33-,39-35-,43-40-,54-50-/t75?,76-,77-/m1/s1",SEMNJXFBFTWLCR,XKJSIPGGSA,N,"CL(18:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",SEMNJXFBFTWLCR-XKJSIPGGSA-N
HMDB57956,1472.972226142,C83H142O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,29-30,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1",NWWIKAVVWPPTJC,GAIOJCMISA,N,"CL(18:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",NWWIKAVVWPPTJC-GAIOJCMISA-N
HMDB57957,1448.972226142,C81H142O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,37-38,44,46,54,58,75-77,82H,5-20,22-24,29,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1",NMKWCBWDZHWNDG,NTOULACDSA,N,"CL(18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",NMKWCBWDZHWNDG-NTOULACDSA-N
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HMDB57959,1477.00352627,C83H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,38-39,41,45,48,56,60,77-79,84H,5-20,22-24,27,29,31,34,37,40,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1",KXQDBSNHJKOMNZ,RDWBYZDQSA,N,"CL(18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",KXQDBSNHJKOMNZ-RDWBYZDQSA-N
HMDB57960,1525.00352627,C87H146O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,29-30,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1",AATKKUJAAUGVJH,ZTWMMZHPSA,N,"CL(18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",AATKKUJAAUGVJH-ZTWMMZHPSA-N
HMDB57961,1525.00352627,C87H146O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,36-37,40-43,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,29-30,35,38-39,44-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1",HWSSBXKLMZCBDE,CLSRWHJKSA,N,"CL(18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",HWSSBXKLMZCBDE-CLSRWHJKSA-N
HMDB57962,1448.972226142,C81H142O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,44,46,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-43,45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-44-/t75?,76-,77-/m1/s1",TYAAPVUVFUHXAR,ARIADUFUSA,N,"CL(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",TYAAPVUVFUHXAR-ARIADUFUSA-N
HMDB57963,1477.00352627,C83H146O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1",GVMIVRYUMHIMHJ,CMSRJGDSSA,N,"CL(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",GVMIVRYUMHIMHJ-CMSRJGDSSA-N
HMDB57964,1477.00352627,C83H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,45,48,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-45-/t77?,78-,79-/m1/s1",GFSZMTYENAHOHB,WUMMYYSFSA,N,"CL(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",GFSZMTYENAHOHB-WUMMYYSFSA-N
HMDB57965,1525.00352627,C87H146O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,36-37,40-43,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,29-30,35,38-39,44-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1",VQYFUYAZYJIHOD,DKBUVGSISA,N,"CL(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VQYFUYAZYJIHOD-DKBUVGSISA-N
HMDB57966,1525.00352627,C87H146O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1",LFARGVLNLBCKHC,KWAJTEHLSA,N,"CL(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",LFARGVLNLBCKHC-KWAJTEHLSA-N
HMDB57967,1446.956576078,C81H140O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,44,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1",SRFQQMLSLOCALJ,FSAKFGEOSA,N,"CL(18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",SRFQQMLSLOCALJ-FSAKFGEOSA-N
HMDB57968,1474.987876206,C83H144O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1",JIWMHPOCJMSNFA,ZFCQWRRPSA,N,"CL(18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",JIWMHPOCJMSNFA-ZFCQWRRPSA-N
HMDB57969,1474.987876206,C83H144O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1",FVARABPKWVJLSV,XVRPBOOSSA,N,"CL(18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",FVARABPKWVJLSV-XVRPBOOSSA-N
HMDB57970,1520.972226142,C87H142O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1",YIGFWORIBXIVAD,KYYJGTIGSA,N,"CL(18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",YIGFWORIBXIVAD-KYYJGTIGSA-N
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HMDB57975,1503.019176334,C85H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37,39-40,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,29,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1",CFTXXAGUDSKRKG,GXAFGQNASA,N,"CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CFTXXAGUDSKRKG-GXAFGQNASA-N
HMDB57976,1431.019176334,C79H148O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26-27,30-31,33,36,73-75,80H,5-25,28-29,32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-,36-33-/t73?,74-,75-/m1/s1",NDTRJAKNKQAIPW,ZFQACKMXSA,N,CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/16:0),NDTRJAKNKQAIPW-ZFQACKMXSA-N
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HMDB57979,1457.034826398,C81H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,38,75-77,82H,5-24,26,30,33,35-37,39-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,31-27-,32-28-,38-34-/t75?,76-,77-/m1/s1",ASTAAHUEMWPZOX,NQFYIIKUSA,N,CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/18:1(11Z)),ASTAAHUEMWPZOX-NQFYIIKUSA-N
HMDB57980,1457.034826398,C81H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36,38,40,75-77,82H,5-24,26,28,30,32-33,35,37,39,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,31-27-,38-34-,40-36-/t75?,76-,77-/m1/s1",HDDSNXHJUQGNJD,RPKFMKBQSA,N,CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/18:1(9Z)),HDDSNXHJUQGNJD-RPKFMKBQSA-N
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HMDB57982,1479.019176334,C83H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37,40,42,46,54,58,77-79,84H,5-20,22-24,27,29,31,34,36,38-39,41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,37-33-,40-35-,46-42-,58-54-/t77?,78-,79-/m1/s1",NLHIFBRBORSYCL,MASNHVCLSA,N,"CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",NLHIFBRBORSYCL-MASNHVCLSA-N
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HMDB57985,1503.019176334,C85H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37,39-40,42,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,27,29,31,34,36,38,41,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,32-28-,37-33-,40-39-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1",TYSOTZROHQYRKX,HBCSTTPBSA,N,"CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",TYSOTZROHQYRKX-HBCSTTPBSA-N
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HMDB57987,1471.050476462,C82H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,37,41,76-78,83H,5-24,28,32-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,41-37-/t76?,77-,78-/m1/s1",QFEDIFRLPHKVGO,KRSCWFDXSA,N,"CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/18:0)",QFEDIFRLPHKVGO-KRSCWFDXSA-N
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HMDB57989,1469.034826398,C82H150O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,37,41,76-78,83H,5-24,33-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,32-28-,41-37-/t76?,77-,78-/m1/s1",DDXYCHFSLQZCIB,JHSXXCBUSA,N,"CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))",DDXYCHFSLQZCIB-JHSXXCBUSA-N
HMDB57990,1469.034826398,C82H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-37,40-41,76-78,83H,5-24,28,32-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,40-36-,41-37-/t76?,77-,78-/m1/s1",FAOKKKPPGUESHH,IYVKTOGYSA,N,"CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))",FAOKKKPPGUESHH-IYVKTOGYSA-N
HMDB57991,1481.034826398,C83H150O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-32,37-38,41-42,77-79,84H,5-24,33-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,32-28-,41-37-,42-38-/t77?,78-,79-/m1/s1",KLUTZERAVKDYMV,IBKMQFPBSA,N,"CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",KLUTZERAVKDYMV-IBKMQFPBSA-N
HMDB57992,1491.019176334,C84H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,37-38,42-43,47,55,59,78-80,85H,5-20,22-24,29,34-36,39-41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1",MJSFFMCCPVCENF,AGHUXDQESA,N,"CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",MJSFFMCCPVCENF-AGHUXDQESA-N
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HMDB57994,1517.034826398,C86H150O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,37-38,40-41,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,53-49-/t80?,81-,82-/m1/s1",YDUVAMJYKALOPG,PSZQIXSYSA,N,"CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",YDUVAMJYKALOPG-PSZQIXSYSA-N
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HMDB58001,1491.019176334,C84H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,37-38,42-43,45,53,57,78-80,85H,5-20,22-24,29,34-36,39-41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1",XMEJUITZOGZCGJ,IXUBPVGOSA,N,"CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",XMEJUITZOGZCGJ-IXUBPVGOSA-N
HMDB58002,1501.00352627,C85H146O17P2,[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,29-30,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79-,80-,81-/m1/s1",YRZCKCLYGWUXDM,DLZRHGRWSA,N,"CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",YRZCKCLYGWUXDM-DLZRHGRWSA-N
HMDB58003,1527.019176334,C87H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,29-30,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1",HAANGPURCHENQL,KRQAKHOMSA,N,"CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",HAANGPURCHENQL-KRQAKHOMSA-N
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HMDB58010,1505.034826398,C85H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-20,22-24,28-29,32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1",YAZPXCHDHWODMM,FWPWPGKPSA,N,"CL(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",YAZPXCHDHWODMM-FWPWPGKPSA-N
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HMDB58018,1477.00352627,C83H146O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1",JMUOCOMNTACSFD,CMSRJGDSSA,N,"CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",JMUOCOMNTACSFD-CMSRJGDSSA-N
HMDB58019,1505.034826398,C85H150O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,29,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1",AHFMYEAGKFFGJG,QDXWCPTRSA,N,"CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",AHFMYEAGKFFGJG-QDXWCPTRSA-N
HMDB58020,1505.034826398,C85H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-37,39-40,43,46,50,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,38,41-42,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,37-33-,40-39-,43-36-,50-46-/t79?,80-,81-/m1/s1",VDJWVZVSGSAXBF,NZSMYDLKSA,N,"CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",VDJWVZVSGSAXBF-NZSMYDLKSA-N
HMDB58021,1517.034826398,C86H150O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,37-38,40-41,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,51-47-/t80?,81-,82-/m1/s1",QVHNGHDZDQQXOC,YLFYZGAYSA,N,"CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",QVHNGHDZDQQXOC-YLFYZGAYSA-N
HMDB58022,1527.019176334,C87H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-38,40,42,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1",BQDKZRVUCXUTPS,CYRQPKDSSA,N,"CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",BQDKZRVUCXUTPS-CYRQPKDSSA-N
HMDB58023,1553.034826398,C89H150O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1",XILAEVVWYSENFF,GIBOBYMXSA,N,"CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",XILAEVVWYSENFF-GIBOBYMXSA-N
HMDB58024,1553.034826398,C89H150O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1",ILTVBKQDUCIOEB,JGBKEAJOSA,N,"CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ILTVBKQDUCIOEB-JGBKEAJOSA-N
HMDB58025,1551.019176334,C89H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1",FEAMPTOEVOAHMB,NYUIKKCYSA,N,"CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FEAMPTOEVOAHMB-NYUIKKCYSA-N
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HMDB58027,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1",BMLJKTXTOAIANF,SREAJTGLSA,N,"CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",BMLJKTXTOAIANF-SREAJTGLSA-N
HMDB58028,1474.987876206,C83H144O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1",KXGAHUXAQJVHCJ,ZFCQWRRPSA,N,"CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",KXGAHUXAQJVHCJ-ZFCQWRRPSA-N
HMDB58029,1503.019176334,C85H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,29,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1",BBRABDYMFUHNPN,AZNQRPALSA,N,"CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",BBRABDYMFUHNPN-AZNQRPALSA-N
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HMDB58032,1525.00352627,C87H146O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1",OSROKCMNXHMYDW,IBJLJBLLSA,N,"CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",OSROKCMNXHMYDW-IBJLJBLLSA-N
HMDB58033,1551.019176334,C89H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",IBCAMJAFVNLRLS,GITUZGHESA,N,"CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",IBCAMJAFVNLRLS-GITUZGHESA-N
HMDB58034,1551.019176334,C89H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1",KHJJECXADGIFBX,NLKCMJRCSA,N,"CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KHJJECXADGIFBX-NLKCMJRCSA-N
HMDB58035,1549.00352627,C89H146O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",PXNBGUVDXOHAEW,WYISCBJJSA,N,"CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PXNBGUVDXOHAEW-WYISCBJJSA-N
HMDB58036,1457.034826398,C81H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-36,39-40,75-77,82H,5-24,27-28,31-34,37-38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-35-,40-36-/t76-,77-/m1/s1",YCSAOWSZDXPCJF,XXVHLDQRSA,N,CL(18:1(11Z)/18:1(9Z)/18:1(11Z)/18:1(9Z)),YCSAOWSZDXPCJF-XXVHLDQRSA-N
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HMDB58067,1491.019176334,C84H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36-38,41-43,45,53,57,78-80,85H,5-20,22-24,28-29,32,34-35,39-40,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1",IPKZDNVFYPTIAT,VIEHRKAESA,N,"CL(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",IPKZDNVFYPTIAT-VIEHRKAESA-N
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HMDB58195,1517.034826398,C86H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,61,65,80-82,87H,5-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1",NLKHPOPGZKTJNX,SMJCMOPKSA,N,"CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:2(9Z,12Z))",NLKHPOPGZKTJNX-SMJCMOPKSA-N
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HMDB58197,1553.034826398,C89H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-44,46,51-52,55-56,63-64,67-68,83-85,90H,5-20,23-24,28-30,32,35,39-40,45,47-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1",GODUJMDBZGVFCD,KNXDZKBTSA,N,"CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GODUJMDBZGVFCD-KNXDZKBTSA-N
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HMDB58248,1517.034826398,C86H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,49,53,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,53-49-/t80?,81-,82-/m1/s1",YKWOJSZEMJVQKM,HSDNXPAFSA,N,"CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z))",YKWOJSZEMJVQKM-HSDNXPAFSA-N
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HMDB58258,1555.050476462,C89H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1",SXXFHTBDXAMRHT,JRBDNCOCSA,N,"CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",SXXFHTBDXAMRHT-JRBDNCOCSA-N
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HMDB58330,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1",WDLIRDDCPXKUTP,QFJGYTSJSA,N,"CL(18:1(9Z)/16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",WDLIRDDCPXKUTP-QFJGYTSJSA-N
HMDB58331,1417.00352627,C78H146O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-38-31-27-23-19-15-11-7-3)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,29,34-37,72-74,79H,5-24,26-28,30-33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,36-34-,37-35-/t72?,73-,74-/m1/s1",BNWCLEJNYZHNPV,MSEVZKTMSA,N,"CL(18:1(9Z)/16:0/18:2(9Z,12Z)/16:0)",BNWCLEJNYZHNPV-MSEVZKTMSA-N
HMDB58332,1443.019176334,C80H148O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36-37,39,74-76,81H,5-24,26,28,30,32-33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,37-34-,39-36-/t74?,75-,76-/m1/s1",FLBCNKDKTHBZKS,NBUALDQPSA,N,"CL(18:1(9Z)/16:0/18:2(9Z,12Z)/18:1(11Z))",FLBCNKDKTHBZKS-NBUALDQPSA-N
HMDB58333,1443.019176334,C80H148O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,34-39,74-76,81H,5-24,26-28,30-33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1",SFZZHCPDJNBYEC,MFZPDDAQSA,N,"CL(18:1(9Z)/16:0/18:2(9Z,12Z)/18:1(9Z))",SFZZHCPDJNBYEC-MFZPDDAQSA-N
HMDB58334,1455.019176334,C81H148O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h25-26,29-30,35-40,75-77,82H,5-24,27-28,31-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1",OLUCYGRELVDZMR,YHELMYTASA,N,"CL(18:1(9Z)/16:0/18:2(9Z,12Z)/18:2(9Z,12Z))",OLUCYGRELVDZMR-YHELMYTASA-N
HMDB58335,1426.987876206,C79H144O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-41-37-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-38,42,48,52,73-75,80H,5-20,22-24,26-32,36,39-41,43-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,37-34-,42-38-,52-48-/t73?,74-,75-/m1/s1",HTDBSRHIWRDPLA,UBSMCIMTSA,N,"CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/16:0)",HTDBSRHIWRDPLA-UBSMCIMTSA-N
HMDB58336,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38,40,43,50,54,75-77,82H,5-20,22-24,26,28-30,32,35,37,39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,36-33-,38-34-,43-40-,54-50-/t75?,76-,77-/m1/s1",CTKYLQFGBSJZKN,ZNBAYCSLSA,N,"CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",CTKYLQFGBSJZKN-ZNBAYCSLSA-N
HMDB58337,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,33-36,38-40,43,50,54,75-77,82H,5-20,22-24,26-32,37,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,38-34-,39-35-,43-40-,54-50-/t75?,76-,77-/m1/s1",CCJKZGDMJMLEOG,YIVYAKAQSA,N,"CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",CCJKZGDMJMLEOG-YIVYAKAQSA-N
HMDB58338,1474.987876206,C83H144O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-37,40-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27-32,38-39,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1",PLOSTNANGBJEST,QSCOXIPESA,N,"CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",PLOSTNANGBJEST-QSCOXIPESA-N
HMDB58339,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-39,44,46,54,58,75-77,82H,5-20,22-24,26-32,36,40-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,39-34-,46-44-,58-54-/t75?,76-,77-/m1/s1",HYLYXTCSCACHLV,IWUYMXMISA,N,"CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",HYLYXTCSCACHLV-IWUYMXMISA-N
HMDB58340,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38-40,45,48,56,60,77-79,84H,5-20,22-24,26,28-30,32,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1",KCEBXMUPERITMO,KNSNONSBSA,N,"CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",KCEBXMUPERITMO-KNSNONSBSA-N
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HMDB58397,1450.987876206,C81H144O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38,40,43,50,54,75-77,82H,5-20,22-24,26,29-30,35,37,39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,36-33-,38-34-,43-40-,54-50-/t75?,76-,77-/m1/s1",COMKZILTSVOLHQ,SJVUVNFBSA,N,"CL(18:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",COMKZILTSVOLHQ-SJVUVNFBSA-N
HMDB58398,1450.987876206,C81H144O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-40,43,50,54,75-77,82H,5-20,22-24,26-27,29-31,37,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,38-34-,39-35-,43-40-,54-50-/t75?,76-,77-/m1/s1",NZASAAOQWVKDGR,YLWXOJRUSA,N,"CL(18:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",NZASAAOQWVKDGR-YLWXOJRUSA-N
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HMDB58408,1525.00352627,C87H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-37,40-44,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,38-39,45-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1",GFPIYUYDWKTODX,QHCONXOPSA,N,"CL(18:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",GFPIYUYDWKTODX-QHCONXOPSA-N
HMDB58409,1525.00352627,C87H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-37,40-44,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-/t81?,82-,83-/m1/s1",WVNPGIRWLATUTE,AYTNSRQWSA,N,"CL(18:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WVNPGIRWLATUTE-AYTNSRQWSA-N
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HMDB58411,1474.987876206,C83H144O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1",RWAICPMELZCANT,NCCLHEKISA,N,"CL(18:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",RWAICPMELZCANT-NCCLHEKISA-N
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HMDB58426,1481.034826398,C83H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-26,28-30,32,35,37-39,41-42,77-79,84H,5-24,27,31,33-34,36,40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,32-28-,39-35-,41-37-,42-38-/t77?,78-,79-/m1/s1",HFUUIVUXFRQWBG,AVRGCNSJSA,N,"CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",HFUUIVUXFRQWBG-AVRGCNSJSA-N
HMDB58427,1491.019176334,C84H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-26,28,30,32-33,35,37-38,40,42-43,47,55,59,78-80,85H,5-20,22-24,27,29,31,34,36,39,41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,32-28-,37-33-,40-35-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1",RADBXMVBQHLFNM,JSFOEPQWSA,N,"CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",RADBXMVBQHLFNM-JSFOEPQWSA-N
HMDB58428,1517.034826398,C86H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,61,65,80-82,87H,5-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1",VGHCLYVZZNAYGZ,SMJCMOPKSA,N,"CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VGHCLYVZZNAYGZ-SMJCMOPKSA-N
HMDB58429,1517.034826398,C86H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-/t80?,81-,82-/m1/s1",MTXLKHIWCPWUDB,RSNAQZPTSA,N,"CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",MTXLKHIWCPWUDB-RSNAQZPTSA-N
HMDB58430,1515.019176334,C86H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1",IYVPGXBCOGBBLC,YMOSEQMQSA,N,"CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",IYVPGXBCOGBBLC-YMOSEQMQSA-N
HMDB58431,1453.00352627,C81H146O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38,40,43,50,54,75-77,82H,5-20,22-24,26,28-30,32,35,37,39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,36-33-,38-34-,43-40-,54-50-/t75?,76-,77-/m1/s1",HCRVWWNZZRAPSJ,ZNBAYCSLSA,N,"CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/16:0)",HCRVWWNZZRAPSJ-ZNBAYCSLSA-N
HMDB58432,1481.034826398,C83H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,37,39,42,44,52,56,77-79,84H,5-20,22-24,26,28-30,32,35-36,38,40-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,39-34-,44-42-,56-52-/t77?,78-,79-/m1/s1",VKXBRTBQPCHVPH,UDKYRBMGSA,N,"CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:0)",VKXBRTBQPCHVPH-UDKYRBMGSA-N
HMDB58433,1450.987876206,C81H144O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38,40,43,50,54,75-77,82H,5-20,22-24,26,29-30,35,37,39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,36-33-,38-34-,43-40-,54-50-/t75?,76-,77-/m1/s1",VGTOBHXLJRBNFI,SJVUVNFBSA,N,"CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",VGTOBHXLJRBNFI-SJVUVNFBSA-N
HMDB58434,1479.019176334,C83H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,37,39,42,44,52,56,77-79,84H,5-20,22-24,26,29-30,35-36,38,40-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,37-33-,39-34-,44-42-,56-52-/t77?,78-,79-/m1/s1",SRZFWXUZXYSHMP,KLWIHXRASA,N,"CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",SRZFWXUZXYSHMP-KLWIHXRASA-N
HMDB58435,1479.019176334,C83H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36-37,39,41-42,44,52,56,77-79,84H,5-20,22-24,26,28-30,32,35,38,40,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,39-34-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1",RBRVYLFPCORDOH,CISPRVEHSA,N,"CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",RBRVYLFPCORDOH-CISPRVEHSA-N
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HMDB58437,1501.00352627,C85H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-35,37-38,41,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27,29-31,36,39-40,42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,32-28-,37-33-,38-34-,41-35-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1",PCKXUESTJFRJQY,KPQZOAPJSA,N,"CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",PCKXUESTJFRJQY-KPQZOAPJSA-N
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HMDB58441,1479.019176334,C83H148O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38-40,45,48,56,60,77-79,84H,5-20,22-24,26,28-30,32,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1",VRCVAINYHWYTMH,KNSNONSBSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",VRCVAINYHWYTMH-KNSNONSBSA-N
HMDB58442,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,37,39-41,46,50,58,62,79-81,86H,5-20,22-24,26,28-30,32,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1",PLYMMPKOOOPKMC,VXQISGRKSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",PLYMMPKOOOPKMC-VXQISGRKSA-N
HMDB58443,1477.00352627,C83H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38-40,45,48,56,60,77-79,84H,5-20,22-24,26,29-30,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1",AHNXEZKAPQXZAW,NUJHARMISA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",AHNXEZKAPQXZAW-NUJHARMISA-N
HMDB58444,1505.034826398,C85H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,37,39-41,46,50,58,62,79-81,86H,5-20,22-24,26,29-30,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,32-28-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1",RTYNQURYPZHQKJ,YUDYGVOCSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",RTYNQURYPZHQKJ-YUDYGVOCSA-N
HMDB58445,1505.034826398,C85H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-20,22-24,26,28-30,32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1",RGDSPBDUOXCVOL,OHZZQLDMSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))",RGDSPBDUOXCVOL-OHZZQLDMSA-N
HMDB58446,1517.034826398,C86H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,59,63,80-82,87H,5-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1",PMSBCMIZDWTYPR,BHMCWIAASA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",PMSBCMIZDWTYPR-BHMCWIAASA-N
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HMDB58448,1553.034826398,C89H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",PKPOHIJERQMJGZ,GGNCEBCUSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",PKPOHIJERQMJGZ-GGNCEBCUSA-N
HMDB58449,1553.034826398,C89H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1",WDFKLJCMAHSXSF,NHFATNHWSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WDFKLJCMAHSXSF-NHFATNHWSA-N
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HMDB58452,1507.050476462,C85H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,37,39-41,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35-36,38,42-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,50-46-/t79?,80-,81-/m1/s1",DXOYJEVKWTVVTG,NEYSCNMCSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",DXOYJEVKWTVVTG-NEYSCNMCSA-N
HMDB58453,1477.00352627,C83H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,45,48,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-/t77?,78-,79-/m1/s1",ZJBKJDZUDMCLHG,YXRKLAHLSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",ZJBKJDZUDMCLHG-YXRKLAHLSA-N
HMDB58454,1505.034826398,C85H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,37,39-41,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,35-36,38,42-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,41-34-,50-46-/t79?,80-,81-/m1/s1",CIHYLGWIFHMTEY,WNJVBPFQSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",CIHYLGWIFHMTEY-WNJVBPFQSA-N
HMDB58455,1505.034826398,C85H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,39-41,43,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35,38,42,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-/t79?,80-,81-/m1/s1",OVKXDSKPOZSGSE,AAJNTPQYSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",OVKXDSKPOZSGSE-AAJNTPQYSA-N
HMDB58456,1517.034826398,C86H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-/t80?,81-,82-/m1/s1",XPPZUGMVDUENDH,SEWKFPSOSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",XPPZUGMVDUENDH-SEWKFPSOSA-N
HMDB58457,1527.019176334,C87H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44-45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1",YNDGWXJMBQLHIG,ZJTQJAQVSA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",YNDGWXJMBQLHIG-ZJTQJAQVSA-N
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HMDB58459,1553.034826398,C89H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-/t83?,84-,85-/m1/s1",AUTSYOKOBZDMFM,HJUSJHEESA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",AUTSYOKOBZDMFM-HJUSJHEESA-N
HMDB58460,1551.019176334,C89H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1",UENKRUYFOSDQHB,KEFGYGAASA,N,"CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",UENKRUYFOSDQHB-KEFGYGAASA-N
HMDB58461,1477.00352627,C83H146O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1",KBKSNCAPSRXAKR,QVFISPRESA,N,"CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",KBKSNCAPSRXAKR-QVFISPRESA-N
HMDB58462,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,37,39-41,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1",USZJKFKPGSGDPN,HYDHATLTSA,N,"CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",USZJKFKPGSGDPN-HYDHATLTSA-N
HMDB58463,1474.987876206,C83H144O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1",OZIBSCPMTYUJML,NCCLHEKISA,N,"CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",OZIBSCPMTYUJML-NCCLHEKISA-N
HMDB58464,1503.019176334,C85H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,37,39-41,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1",WXIVCEBRQSJRJR,SUDMPQOJSA,N,"CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",WXIVCEBRQSJRJR-SUDMPQOJSA-N
HMDB58465,1503.019176334,C85H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1",CPVSIPNIPMLAMH,ORMSCFPUSA,N,"CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",CPVSIPNIPMLAMH-ORMSCFPUSA-N
HMDB58466,1515.019176334,C86H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1",IZHLFHVWXXZINR,ZFHRKNDGSA,N,"CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",IZHLFHVWXXZINR-ZFHRKNDGSA-N
HMDB58467,1525.00352627,C87H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1",CMKSPJDOCYFKHR,JDOFJBRTSA,N,"CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",CMKSPJDOCYFKHR-JDOFJBRTSA-N
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HMDB58513,1553.034826398,C89H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-38,41-46,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-/t83?,84-,85-/m1/s1",JFZQZEUYUFEFNN,OQUFXSRQSA,N,"CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",JFZQZEUYUFEFNN-OQUFXSRQSA-N
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HMDB58521,1525.00352627,C87H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-38,40,42-44,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1",PRAMEUCDTHJCTC,HXQOZTFLSA,N,"CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",PRAMEUCDTHJCTC-HXQOZTFLSA-N
HMDB58522,1551.019176334,C89H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",VFIQZUVDQBIGDX,JQUTZBLVSA,N,"CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",VFIQZUVDQBIGDX-JQUTZBLVSA-N
HMDB58523,1551.019176334,C89H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-38,41-46,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1",ILGKNZVFMBXNDA,OXQRHWRFSA,N,"CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ILGKNZVFMBXNDA-OXQRHWRFSA-N
HMDB58524,1549.00352627,C89H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1",HZFYREBTTSBKTM,JKMJWVGTSA,N,"CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",HZFYREBTTSBKTM-JKMJWVGTSA-N
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HMDB58535,1493.034826398,C84H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C84H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-43,78-80,85H,5-24,28,32-35,44-77H2,1-4H3,(H,90,91)(H,92,93)/b29-25-,30-26-,31-27-,40-36-,41-37-,42-38-,43-39-/t78?,79-,80-/m1/s1",KXTOBAQHVCFIRV,CFXSDHBASA,N,"CL(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",KXTOBAQHVCFIRV-CFXSDHBASA-N
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HMDB58626,1599.019176334,C93H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-39,43-49,54-56,58-60,66-67,70-71,87-89,94H,5-8,10,12,14,16-20,24,28-32,40-42,50-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1",WTWMDTRDQKIAPK,RCKCJANBSA,N,"CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",WTWMDTRDQKIAPK-RCKCJANBSA-N
HMDB58627,1597.00352627,C93H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-39,43-49,54-56,58-60,66-68,70-72,87-89,94H,5-8,10,12,14,16-20,24,28-32,40-42,50-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1",OPEJMLCPGMAGJK,QGYNBGLNSA,N,"CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",OPEJMLCPGMAGJK-QGYNBGLNSA-N
HMDB58628,1553.034826398,C89H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,51-52,55-56,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-50,53-54,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,55-51-,56-52-/t84-,85-/m1/s1",ZBAROKXQESESAZ,INMPAQSTSA,N,"CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",ZBAROKXQESESAZ-INMPAQSTSA-N
HMDB58629,1551.019176334,C89H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,51-52,55-56,63,67,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-50,53-54,57-62,64-66,68-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,55-51-,56-52-,67-63-/t83?,84-,85-/m1/s1",PEZMDEJFYPANBY,YXGUWMDKSA,N,"CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PEZMDEJFYPANBY-YXGUWMDKSA-N
HMDB58630,1517.034826398,C86H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-/t80?,81-,82-/m1/s1",IWXBMAUGEXXKSR,RSNAQZPTSA,N,"CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z))",IWXBMAUGEXXKSR-RSNAQZPTSA-N
HMDB58631,1517.034826398,C86H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-38,40-44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,53-49-/t80?,81-,82-/m1/s1",BGRLTWOEPGVBTL,MKQYDUTGSA,N,"CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z))",BGRLTWOEPGVBTL-MKQYDUTGSA-N
HMDB58632,1529.034826398,C87H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-39,41-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1",YFYYQUPCQAKPLW,NXLHYYAVSA,N,"CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",YFYYQUPCQAKPLW-NXLHYYAVSA-N
HMDB58633,1565.034826398,C90H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-39,42-47,52-53,56-57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35,40-41,48-51,54-55,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,56-52-,57-53-,69-65-/t84?,85-,86-/m1/s1",WRDUOUIWZPFAPR,VVFUBPGTSA,N,"CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",WRDUOUIWZPFAPR-VVFUBPGTSA-N
HMDB58634,1565.034826398,C90H150O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,52-53,56-57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-51,54-55,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,56-52-,57-53-/t84?,85-,86-/m1/s1",CDLSIPDTBKINAX,NWWOJNRXSA,N,"CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CDLSIPDTBKINAX-NWWOJNRXSA-N
HMDB58635,1527.019176334,C87H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1",MRTMSNZOMCFFPB,OGTZCRIOSA,N,"CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",MRTMSNZOMCFFPB-OGTZCRIOSA-N
HMDB58636,1527.019176334,C87H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1",ZRCZVAAWYKVHOP,OFJIBLRBSA,N,"CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",ZRCZVAAWYKVHOP-OFJIBLRBSA-N
HMDB58637,1549.00352627,C89H146O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,41,44-47,50-52,56,58-59,62-63,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,48-49,53-55,57,60-61,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,50-46-,51-47-,56-52-,62-58-,63-59-/t83?,84-,85-/m1/s1",CVEFDERTBISWAA,BYIRVEFISA,N,"CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",CVEFDERTBISWAA-BYIRVEFISA-N
HMDB58638,1575.019176334,C91H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,42-43,45-48,52-54,57-58,60,64,66,70,85-87,92H,5-8,10-12,14-20,24,28-32,40-41,44,49-51,55-56,59,61-63,65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,52-48-,57-53-,58-54-,64-60-,70-66-/t85?,86-,87-/m1/s1",UHBMQCBLSYOPRF,INLWKKJYSA,N,"CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",UHBMQCBLSYOPRF-INLWKKJYSA-N
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HMDB58720,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,37-38,41-42,77-79,84H,5-24,28,32-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,41-37-,42-38-/t77?,78-,79-/m1/s1",SHVPURZLTFRCAI,QRVMWMDMSA,N,"CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/18:1(11Z))",SHVPURZLTFRCAI-QRVMWMDMSA-N
HMDB58721,1483.050476462,C83H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37-39,41-42,77-79,84H,5-24,27-28,31-34,36,40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,39-35-,41-37-,42-38-/t77?,78-,79-/m1/s1",NJEGBUMJZUVSCG,ZVVPFJKHSA,N,"CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/18:1(9Z))",NJEGBUMJZUVSCG-ZVVPFJKHSA-N
HMDB58722,1495.050476462,C84H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,37-39,41-43,78-80,85H,5-24,28,32-36,40,44-77H2,1-4H3,(H,90,91)(H,92,93)/b29-25-,30-26-,31-27-,41-37-,42-38-,43-39-/t78?,79-,80-/m1/s1",PIZPZJUVQWZFFP,HDUUJCFZSA,N,"CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/18:2(9Z,12Z))",PIZPZJUVQWZFFP-HDUUJCFZSA-N
HMDB58723,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,42-44,48,56,60,79-81,86H,5-20,22-24,28-29,32,34-36,40-41,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,42-38-,43-39-,48-44-,60-56-/t79?,80-,81-/m1/s1",KZGJCKQMNMIGOW,LBDYJGMISA,N,"CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",KZGJCKQMNMIGOW-LBDYJGMISA-N
HMDB58724,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1",MONROHNOJLNEQU,SSVXXFNYSA,N,"CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",MONROHNOJLNEQU-SSVXXFNYSA-N
HMDB58725,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1",FORKCPJYFVTTOR,UELGDAKTSA,N,"CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",FORKCPJYFVTTOR-UELGDAKTSA-N
HMDB58726,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1",PEFWXADFFNOZEA,PTMSKGLJSA,N,"CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",PEFWXADFFNOZEA-PTMSKGLJSA-N
HMDB58727,1495.050476462,C84H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,42-43,45,53,57,78-80,85H,5-20,22-24,27-29,31-32,34-36,39-41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1",XHVYICZLMPZDKC,ZOIIGMJESA,N,"CL(18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:0)",XHVYICZLMPZDKC-ZOIIGMJESA-N
HMDB58728,1505.034826398,C85H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,42-44,46,54,58,79-81,86H,5-20,22-24,28-29,32,34-36,40-41,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1",SPQHNXVCPDBZJU,VZAGVFDGSA,N,"CL(18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",SPQHNXVCPDBZJU-VZAGVFDGSA-N
HMDB58729,1515.019176334,C86H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,28-30,32,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1",SNVAVNRXZILSOG,PTUCGRRMSA,N,"CL(18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",SNVAVNRXZILSOG-PTUCGRRMSA-N
HMDB58730,1521.066126526,C86H154O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,40-41,44,47,51,59,63,80-82,87H,5-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1",MTGXOJVEKOFMFX,DBNGKPJISA,N,"CL(18:2(9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",MTGXOJVEKOFMFX-DBNGKPJISA-N
HMDB58731,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1",BTIYJDOPHIHEJW,FBXAYDBRSA,N,"CL(18:2(9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",BTIYJDOPHIHEJW-FBXAYDBRSA-N
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HMDB58736,1567.050476462,C90H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1",ZMVHAXXBRMHLNI,LIAUUTOASA,N,"CL(18:2(9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",ZMVHAXXBRMHLNI-LIAUUTOASA-N
HMDB58737,1567.050476462,C90H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1",QQPMCRLDQMVTAD,JKHKBPOVSA,N,"CL(18:2(9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",QQPMCRLDQMVTAD-JKHKBPOVSA-N
HMDB58738,1519.050476462,C86H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C86H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1",HUIVBCIOVUYGDN,NFYZTTTRSA,N,"CL(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",HUIVBCIOVUYGDN-NFYZTTTRSA-N
HMDB58739,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1",WZFAHPDFZLXSEB,MSOJLJHZSA,N,"CL(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",WZFAHPDFZLXSEB-MSOJLJHZSA-N
HMDB58740,1563.019176334,C90H148O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C90H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1",FXAHTEUEJMGWED,IIONLRKHSA,N,"CL(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",FXAHTEUEJMGWED-IIONLRKHSA-N
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HMDB58761,1498.987876206,C85H144O17P2,CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,47,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-46,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-47-,62-58-/t79?,80-,81-/m1/s1",PVQLJAAJWYVMMQ,SKGGKXHBSA,N,"CL(18:2(9Z,12Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",PVQLJAAJWYVMMQ-SKGGKXHBSA-N
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HMDB58770,1491.019176334,C84H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-38,42-43,45,53,57,78-80,85H,5-20,22-24,29,34-36,39-41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1",OFANUGBPMINFTN,IXUBPVGOSA,N,"CL(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",OFANUGBPMINFTN-IXUBPVGOSA-N
HMDB58771,1491.019176334,C84H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,41-43,45,53,57,78-80,85H,5-20,22-24,28-29,32,34-35,39-40,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1",PAVXRAOBPVXLNY,VIEHRKAESA,N,"CL(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",PAVXRAOBPVXLNY-VIEHRKAESA-N
HMDB58772,1503.019176334,C85H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-39,42-44,46,54,58,79-81,86H,5-20,22-24,29,34-36,40-41,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1",MDHUYKMJFNKITK,LJCURPJSSA,N,"CL(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",MDHUYKMJFNKITK-LJCURPJSSA-N
HMDB58773,1513.00352627,C86H146O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,29-30,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1",IFDYPHDVDMQDGO,VTZUGQJVSA,N,"CL(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",IFDYPHDVDMQDGO-VTZUGQJVSA-N
HMDB58774,1517.034826398,C86H150O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-38,40-41,44,47,51,59,63,80-82,87H,5-20,22-24,29,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1",QRPSHAGWQAMUAX,GZAOSQDISA,N,"CL(18:2(9Z,12Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))",QRPSHAGWQAMUAX-GZAOSQDISA-N
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HMDB58818,1474.987876206,C83H144O17P2,CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-81(86)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3)74-94-80(85)67-63-59-55-51-47-44-40-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-42,45,52,56,77-79,84H,5-20,22-24,29,34-35,39,43-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,40-37-,41-38-,45-42-,56-52-/t77?,78-,79-/m1/s1",GBHGLVHOJWCYGC,IRYQMMTPSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",GBHGLVHOJWCYGC-IRYQMMTPSA-N
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HMDB58820,1503.019176334,C85H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)76-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-39,41-44,46,54,58,79-81,86H,5-20,22-24,28-29,32,34-35,40,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1",DSHUHWHAXITTIO,VWKQECBXSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",DSHUHWHAXITTIO-VWKQECBXSA-N
HMDB58821,1515.019176334,C86H148O17P2,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-40-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-40,42-45,47,55,59,80-82,87H,5-20,22-24,29,34-36,41,46,48-54,56-58,60-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,43-39-,44-40-,47-45-,59-55-/t80?,81-,82-/m1/s1",WOBAHJTXNAGJHT,DVBWGBRESA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",WOBAHJTXNAGJHT-DVBWGBRESA-N
HMDB58822,1525.00352627,C87H146O17P2,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-40-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-40,43-46,48,50,56,58,60,62,81-83,88H,5-20,23-24,29-30,35-36,41-42,47,49,51-55,57,59,61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,44-40-,48-45-,50-46-,60-56-,62-58-/t81?,82-,83-/m1/s1",ZLYOEFOEIJQKFW,FZDLVFHYSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",ZLYOEFOEIJQKFW-FZDLVFHYSA-N
HMDB58823,1551.019176334,C89H148O17P2,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-40,42,44-47,50,52,56,58,62,64,68,83-85,90H,5-20,23-24,29-30,35-36,41,43,48-49,51,53-55,57,59-61,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,50-47-,56-52-,62-58-,68-64-/t83?,84-,85-/m1/s1",DMXCUCODVUYFIU,OQJBKICCSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",DMXCUCODVUYFIU-OQJBKICCSA-N
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HMDB58825,1503.019176334,C85H148O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)76-96-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-43,47,50,58,62,79-81,86H,5-20,22-24,28-29,32,34-35,39,44-46,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-47-,62-58-/t79?,80-,81-/m1/s1",FQAKVTCZBQXIIT,HOJUHSPSSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",FQAKVTCZBQXIIT-HOJUHSPSSA-N
HMDB58826,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1",YPRLABNYSFRXIG,FBXAYDBRSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",YPRLABNYSFRXIG-FBXAYDBRSA-N
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HMDB58833,1577.034826398,C91H150O17P2,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,68,85-87,92H,5-9,11-13,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-/t85?,86-,87-/m1/s1",UWSBYEITQDZZES,YCRXGJDTSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",UWSBYEITQDZZES-YCRXGJDTSA-N
HMDB58834,1575.019176334,C91H148O17P2,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,66,68,70,85-87,92H,5-9,11-13,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1",NWOUCNJUYOCKNY,ALISZEGXSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",NWOUCNJUYOCKNY-ALISZEGXSA-N
HMDB58835,1503.019176334,C85H148O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)76-96-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,47,50,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-46,48-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-47-/t79?,80-,81-/m1/s1",ROZNQABYTRECGI,IXEBRCDPSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",ROZNQABYTRECGI-IXEBRCDPSA-N
HMDB58836,1531.050476462,C87H152O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,48,52,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-/t81?,82-,83-/m1/s1",MPUIBRDMYSVEIZ,RLTMURPCSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",MPUIBRDMYSVEIZ-RLTMURPCSA-N
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HMDB58845,1501.00352627,C85H146O17P2,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)76-96-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,47,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-46,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-47-,62-58-/t79?,80-,81-/m1/s1",HANHYYZJBJULSZ,FLLJAKELSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",HANHYYZJBJULSZ-FLLJAKELSA-N
HMDB58846,1529.034826398,C87H150O17P2,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC,"InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1",WTRIUOVLXCNAGJ,MSOJLJHZSA,N,"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",WTRIUOVLXCNAGJ-MSOJLJHZSA-N
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HMDB59034,1527.019176334,C87H148O17P2,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,40,42,45,47-48,52,55,59,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-44,46,49-51,53-54,56-58,60-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,47-45-,52-48-,59-55-/t81?,82-,83-/m1/s1",AWCHDSVIOHNPGD,OROHAVCUSA,N,"CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",AWCHDSVIOHNPGD-OROHAVCUSA-N
HMDB59035,1527.019176334,C87H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,40,42,44-45,47-48,52,55,59,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,46,49-51,53-54,56-58,60-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,47-45-,52-48-,59-55-/t81?,82-,83-/m1/s1",PFZSBBITDOFQOK,VCCPALCNSA,N,"CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",PFZSBBITDOFQOK-VCCPALCNSA-N
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HMDB59055,1527.019176334,C87H148O17P2,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-45,47-48,52,55,59,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46,49-51,53-54,56-58,60-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,47-45-,52-48-,59-55-/t81?,82-,83-/m1/s1",OPMZEJLMIUTAGH,UBWMKTCNSA,N,"CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",OPMZEJLMIUTAGH-UBWMKTCNSA-N
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HMDB59564,1645.00352627,C97H146O17P2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-8,11-12,15-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t92-,93-/m1/s1",JORHLAGYIXQMNH,BDQUWDALSA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",JORHLAGYIXQMNH-BDQUWDALSA-N
HMDB59565,1645.00352627,C97H146O17P2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,45-52,57-64,69-70,72-74,76,91-93,98H,5-8,12,16-20,29-32,41-44,53-56,65-68,71,75,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,76-72-/t91?,92-,93-/m1/s1",KWKJZLNTABEFCD,GZFZTHEZSA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",KWKJZLNTABEFCD-GZFZTHEZSA-N
HMDB59566,1642.987876206,C97H144O17P2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C97H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-8,12,16-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1",VUKBYBNEAHVDGA,VHTPTZIPSA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",VUKBYBNEAHVDGA-VHTPTZIPSA-N
HMDB59567,1645.00352627,C97H146O17P2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,69-70,73-74,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-68,71-72,75-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-/t92-,93-/m1/s1",DDTKGHDILKHQMG,FPCLOEGISA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",DDTKGHDILKHQMG-FPCLOEGISA-N
HMDB59568,1642.987876206,C97H144O17P2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C97H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,69-71,73-75,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-68,72,76-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-/t91?,92-,93-/m1/s1",ODAPPETXKDBWFW,RQHLODEQSA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",ODAPPETXKDBWFW-RQHLODEQSA-N
HMDB59569,1640.972226142,C97H142O17P2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C97H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t92-,93-/m1/s1",JOPLJXPYXSYLHH,DWOCFZJBSA,N,"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",JOPLJXPYXSYLHH-DWOCFZJBSA-N
HMDB59570,439.758799523,C10H5Cl9,[H][C@]12[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl,"InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1-,2+,3+,4-,5-,8+,9-",OCHOKXCPKDPNQU,DFACZZRHSA,N,trans-Nonachlor,OCHOKXCPKDPNQU-DFACZZRHSA-N
HMDB59571,419.777036406,C10H4Cl8O,ClC1C2C(C3OC13Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,"InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H",VWGNQYSIWFHEQU,UHFFFAOYSA,N,Oxychlordane,VWGNQYSIWFHEQU-UHFFFAOYSA-N
HMDB59573,539.626232484,C10Cl12,ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl,"InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18",GVYLCNUFSHDAAW,UHFFFAOYSA,N,Mirex,GVYLCNUFSHDAAW-UHFFFAOYSA-N
HMDB59586,499.937494073,C8HF17O3S,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)",YFSUTJLHUFNCNZ,UHFFFAOYSA,N,Perfluorooctanesulfonic acid,YFSUTJLHUFNCNZ-UHFFFAOYSA-N
HMDB59587,413.973702351,C8HF15O2,[H]OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)",SNGREZUHAYWORS,UHFFFAOYSA,N,Perfluorooctanoic acid,SNGREZUHAYWORS-UHFFFAOYSA-N
HMDB59592,402.349780716,C27H46O2,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(O)C=C2CC(O)CC[C@]12C,"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20?,21-,22+,23+,24?,25+,26+,27-/m1/s1",OYXZMSRRJOYLLO,LOKCBIGLSA,N,"Cholest-5-ene-3-beta,7-alpha-diol",OYXZMSRRJOYLLO-LOKCBIGLSA-N
HMDB59593,506.995745159,C10H16N5O13P3,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C(N)N=C(O)N=C12,"InChI=1S/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",UOACBPRDWRDEHJ,KVQBGUIXSA,N,2-hydroxy-dATP,UOACBPRDWRDEHJ-KVQBGUIXSA-N
HMDB59594,347.063084339,C10H14N5O7P,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=NC2=C(N)N=C(O)N=C12,"InChI=1S/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",GEQDRKVFKBSPSW,KVQBGUIXSA,N,2-hydroxy-dAMP,GEQDRKVFKBSPSW-KVQBGUIXSA-N
HMDB59595,145.073893223,C6H11NO3,N[C@@H](CCCC=O)C(O)=O,"InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)/t5-/m0/s1",GFXYTQPNNXGICT,YFKPBYRVSA,N,(S)-2-amino-6-oxohexanoate,GFXYTQPNNXGICT-YFKPBYRVSA-N
HMDB59596,100.013599333,C2H3F3O,OCC(F)(F)F,"InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2",RHQDFWAXVIIEBN,UHFFFAOYSA,N,ETF,RHQDFWAXVIIEBN-UHFFFAOYSA-N
HMDB59597,1.007825032,H,[H+],InChI=1S/p+1,GPRLSGONYQIRFK,UHFFFAOYSA,N,Hydrogen Ion,GPRLSGONYQIRFK-UHFFFAOYSA-N
HMDB59598,1091.223845913,C32H57N9O23P4S,CC(C)(COP(O)(O)=O)C(O)C(O)=NCCC(O)=NCCSCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=NC=C12,"InChI=1S/C32H57N9O23P4S/c1-31(2,15-60-65(49,50)51)25(45)28(47)36-7-5-20(42)34-9-11-69-12-10-35-21(43)6-8-37-29(48)26(46)32(3,4)16-61-68(57,58)64-67(55,56)59-14-19-24(63-66(52,53)54)23(44)30(62-19)41-17-38-22-18(41)13-39-40-27(22)33/h13,17,19,23-26,30,44-46H,5-12,14-16H2,1-4H3,(H2,33,40)(H,34,42)(H,35,43)(H,36,47)(H,37,48)(H,55,56)(H,57,58)(H2,49,50,51)(H2,52,53,54)/t19-,23-,24-,25?,26+,30-/m1/s1",FBUGMEGDQPFDBY,GSDNALRBSA,N,CoA-[4'-phosphopantetheine],FBUGMEGDQPFDBY-GSDNALRBSA-N
HMDB59599,477.054960797,C12H21N3O13P2,OCC(O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=N)N=C1O,"InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6?,7-,9-,10-,11-/m1/s1",HHPOUCCVONEPRK,JANFQQFMSA,N,CDP-glycerol,HHPOUCCVONEPRK-JANFQQFMSA-N
HMDB59600,242.066772734,C6H15N2O6P,[H][C@](N)(CC[C@]([H])(CN)OP(O)(O)=O)C(O)=O,"InChI=1S/C6H15N2O6P/c7-3-4(14-15(11,12)13)1-2-5(8)6(9)10/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)/t4-,5+/m1/s1",WLPXLNNUXMDSPG,UHNVWZDZSA,N,5-phosphonooxy-L-lysine,WLPXLNNUXMDSPG-UHNVWZDZSA-N
HMDB59601,134.073164942,C9H10O,OC1CCC2=CC=CC=C12,"InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2",YIAPLDFPUUJILH,UHFFFAOYSA,N,Indan-1-ol,YIAPLDFPUUJILH-UHFFFAOYSA-N
HMDB59602,132.057514878,C9H8O,O=C1CCC2=CC=CC=C12,"InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2",QNXSIUBBGPHDDE,UHFFFAOYSA,N,Indanone,QNXSIUBBGPHDDE-UHFFFAOYSA-N
HMDB59603,485.683441692,C10Cl10O,ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl,"InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20",LHHGDZSESBACKH,UHFFFAOYSA,N,Chlordecone,LHHGDZSESBACKH-UHFFFAOYSA-N
HMDB59604,386.354866094,C27H46O,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(=O)CC[C@]12C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1",PESKGJQREUXSRR,ZTPZMMAUSA,N,5-beta-Cholestan-3-one,PESKGJQREUXSRR-ZTPZMMAUSA-N
HMDB59605,376.276615774,C27H36O,C\C(\C=C\C=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7+,14-9+,16-11+,19-18+,22-12+,23-13+,24-15+",PJEHRCCPERVGEC,FLHUAPOTSA,N,10'-Apo-beta-carotenal,PJEHRCCPERVGEC-FLHUAPOTSA-N
HMDB59606,118.086803633,C5H12NO2,C[N+](C)(C)CC(O)=O,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1",KWIUHFFTVRNATP,UHFFFAOYSA,O,Trimethylammonioacetate,KWIUHFFTVRNATP-UHFFFAOYSA-O
HMDB59607,173.116426739,C7H15N3O2,NCCCC[C@H](NC=O)C(N)=O,"InChI=1S/C7H15N3O2/c8-4-2-1-3-6(7(9)12)10-5-11/h5-6H,1-4,8H2,(H2,9,12)(H,10,11)/t6-/m0/s1",DKPYGQKMNSGPGT,LURJTMIESA,N,apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)],DKPYGQKMNSGPGT-LURJTMIESA-N
HMDB59608,152.120115134,C10H16O,CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",BAVONGHXFVOKBV,ZJUUUORDSA,N,(+)-trans-Carveol,BAVONGHXFVOKBV-ZJUUUORDSA-N
HMDB59609,281.083412051,C12H15N3O3S,CCCS(=O)C1=CC2=C(C=C1)N=C(N2)N=C(O)OC,"InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",VXTGHWHFYNYFFV,UHFFFAOYSA,N,albendazole S-oxide,VXTGHWHFYNYFFV-UHFFFAOYSA-N
HMDB59610,170.13067982,C10H18O2,[H][C@]1(O)C[C@]2([H])CC[C@@]1(C)OC2(C)C,"InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1",YVCUGZBVCHODNB,OYNCUSHFSA,N,"2-Exo-hydroxy-1,8-cineole",YVCUGZBVCHODNB-OYNCUSHFSA-N
HMDB59611,147.035399227,C5H9NO2S,OC(=O)C1CSCCN1,"InChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)",JOKIQGQOKXGHDV,UHFFFAOYSA,N,Thiomorpholine 3-carboxylate,JOKIQGQOKXGHDV-UHFFFAOYSA-N
HMDB59612,378.081474057,C11H17N5O8P,C[N+]1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(O)=NC(=N)N2,"InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1",AOKQNZVJJXPUQA,KQYNXXCUSA,O,7-Methylguanosine 5'-phosphate,AOKQNZVJJXPUQA-KQYNXXCUSA-O
HMDB59613,458.047804467,C11H18N5O11P2,C[N+]1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(O)=NC(=N)N2,"InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1",SBASPRRECYVBRF,KQYNXXCUSA,O,7-Methylguanosine 5'-diphosphate,SBASPRRECYVBRF-KQYNXXCUSA-O
HMDB59614,438.094050116,C17H19N4O8P,[H][C@](O)(CN1C2=C(C=C(C)C(C)=C2)N=C2C(O)=NC(=O)N=C12)[C@]([H])(O)[C@@]1([H])COP(O)(=O)O1,"InChI=1S/C17H19N4O8P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(24)20-17(25)19-15)5-11(22)14(23)12-6-28-30(26,27)29-12/h3-4,11-12,14,22-23H,5-6H2,1-2H3,(H,26,27)(H,20,24,25)/t11-,12+,14-/m0/s1",CVZKYDYRJQYYDJ,SCRDCRAPSA,N,"Riboflavin cyclic-4',5'-phosphate",CVZKYDYRJQYYDJ-SCRDCRAPSA-N
HMDB59615,384.33921603,C27H44O,[H][C@@]12CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CCC2CC(O)CC[C@]12C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3/t19-,20?,21?,23-,24+,25+,26+,27-/m1/s1",PKEPPDGGTSZLBL,CTHJMSMNSA,N,"5-alpha-Cholesta-7,24-dien-3-beta-ol",PKEPPDGGTSZLBL-CTHJMSMNSA-N
HMDB59616,858.569228066,C50H84O7P2,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O,"InChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)",FSCYHDCTHRVSKN,UHFFFAOYSA,N,all-trans-Decaprenyl diphosphate,FSCYHDCTHRVSKN-UHFFFAOYSA-N
HMDB59617,299.171930244,C13H23N4O4,[H][C@](N)(CC1=CN=C(CCC([H])(C(O)=O)[N+](C)(C)C)N1)C(O)=O,"InChI=1S/C13H22N4O4/c1-17(2,3)10(13(20)21)4-5-11-15-7-8(16-11)6-9(14)12(18)19/h7,9-10H,4-6,14H2,1-3H3,(H2-,15,16,18,19,20,21)/p+1/t9-,10?/m0/s1",CBQVLMCHMFGPMX,RGURZIINSA,O,2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine,CBQVLMCHMFGPMX-RGURZIINSA-O
HMDB59619,881.146902423,C26H42N7O19P3S,CC[C@@H](C(O)=O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14+,17+,18+,19-,23+/m0/s1",VUGZQVCBBBEZQE,UQCJFRAESA,N,(S)-ethylmalonyl-CoA,VUGZQVCBBBEZQE-UQCJFRAESA-N
HMDB59620,242.001395286,C6H11O6PS,CSCCC(=O)C(=O)COP(O)(O)=O,"InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)",HKEAOVFNWRDVAJ,UHFFFAOYSA,N,"5-(methylthio)-2,3-Dioxopentyl phosphate",HKEAOVFNWRDVAJ-UHFFFAOYSA-N
HMDB59621,426.386166222,C30H50O,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C,"InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1",QYIMSPSDBYKPPY,RSKUXYSASA,N,"(3S)-2,3-epoxy-2,3-dihydrosqualene",QYIMSPSDBYKPPY-RSKUXYSASA-N
HMDB59622,176.047344122,C10H8O3,CC1=CC(=O)OC2=C1C=CC(O)=C2,"InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3",HSHNITRMYYLLCV,UHFFFAOYSA,N,4-Methylumbelliferone,HSHNITRMYYLLCV-UHFFFAOYSA-N
HMDB59623,1005.344873947,C37H66N7O17P3S,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1",MNBKLUUYKPBKDU,BBECNAHFSA,N,hexadecanoyl-CoA,MNBKLUUYKPBKDU-BBECNAHFSA-N
HMDB59624,164.068473494,C6H12O5,C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1",SHZGCJCMOBCMKK,PHYPRBDBSA,N,Alpha-L-fucose,SHZGCJCMOBCMKK-PHYPRBDBSA-N
HMDB59625,164.068473494,C6H12O5,C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1",SHZGCJCMOBCMKK,KGJVWPDLSA,N,beta-L-fucose,SHZGCJCMOBCMKK-KGJVWPDLSA-N
HMDB59626,301.056267627,C8H16NO9P,CC(O)=N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OP(O)(O)=O,"InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1",FZLJPEPAYPUMMR,JAJWTYFOSA,N,N-acetyl-alpha-D-galactosamine 1-phosphate,FZLJPEPAYPUMMR-JAJWTYFOSA-N
HMDB59627,835.141423115,C25H40N7O17P3S,C\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1",KFWWCMJSYSSPSK,PAXLJYGASA,N,(E)-but-2-enoyl-CoA,KFWWCMJSYSSPSK-PAXLJYGASA-N
HMDB59628,724.06483075,C20H26N10O12P2S2,[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)O[C@@]2([H])NC3=C(N[C@@]2([H])C(S)=C1S)C(=O)N=C(N)N3,"InChI=1S/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)/t5-,6-,7+,10-,11-,18-,19-/m1/s1",XJXFAXLUOKQPAQ,YPRLVJTJSA,N,Adenylyl-molybdopterin,XJXFAXLUOKQPAQ-YPRLVJTJSA-N
HMDB59629,148.073558872,C6H12O4,C[C@@](O)(CCO)CC(O)=O,"InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1",KJTLQQUUPVSXIM,ZCFIWIBFSA,N,(R)-mevalonate,KJTLQQUUPVSXIM-ZCFIWIBFSA-N
HMDB59630,379.248759843,C18H38NO5P,CCCCCCCCCCCCCCCC(O)=NC(O)CP(O)(O)=O,"InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-18(21)16-25(22,23)24/h18,21H,2-16H2,1H3,(H,19,20)(H2,22,23,24)",REFUVLFHSVMCAO,UHFFFAOYSA,N,N-palmitoyl-phosphoethanolamine,REFUVLFHSVMCAO-UHFFFAOYSA-N
HMDB59631,196.088815006,C14H12O,[H][C@]1(O[C@]1([H])C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+",ARCJQKUWGAZPFX,OKILXGFUSA,N,Cis-stilbene oxide,ARCJQKUWGAZPFX-OKILXGFUSA-N
HMDB59632,396.22769005,C18H37O7P,[H][C@](O)(CCCCCCCC)[C@]([H])(CCCCCCCC(O)=O)OP(O)(O)=O,"InChI=1S/C18H37O7P/c1-2-3-4-5-7-10-13-16(19)17(25-26(22,23)24)14-11-8-6-9-12-15-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)(H2,22,23,24)/t16-,17-/m0/s1",UELBXEKQONEDKM,IRXDYDNUSA,N,"(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoate",UELBXEKQONEDKM-IRXDYDNUSA-N
HMDB59633,316.26135964,C18H36O4,[H][C@](O)(CCCCCCCC)[C@@]([H])(O)CCCCCCCC(O)=O,"InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17-/m0/s1",VACHUYIREGFMSP,IRXDYDNUSA,N,"(9S,10S)-9,10-dihydroxyoctadecanoate",VACHUYIREGFMSP-IRXDYDNUSA-N
HMDB59634,127.912293452,HI,I,InChI=1S/HI/h1H,XMBWDFGMSWQBCA,UHFFFAOYSA,N,I(-),XMBWDFGMSWQBCA-UHFFFAOYSA-N
HMDB59635,535.096040725,C18H26N5O8PS2,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCCC2CCSS2)[C@@H](O)[C@H]1O,"InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10?,11-,14-,15-,18-/m1/s1",QWEGOCJRZOKSOE,NLJBGGCZSA,N,Lipoyl-AMP,QWEGOCJRZOKSOE-NLJBGGCZSA-N
HMDB59636,433.851195584,C9H8I2O4,OC(CC1=CC(I)=C(O)C(I)=C1)C(O)=O,"InChI=1S/C9H8I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,12-13H,3H2,(H,14,15)",ZPJHINFPRQWKIH,UHFFFAOYSA,N,"3-(3,5-Diiodo-4-hydroxyphenyl)lactate",ZPJHINFPRQWKIH-UHFFFAOYSA-N
HMDB59637,431.83554552,C9H6I2O4,OC(=O)C(=O)CC1=CC(I)=C(O)C(I)=C1,"InChI=1S/C9H6I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)",TZPLBTUUWSVGCY,UHFFFAOYSA,N,"3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate",TZPLBTUUWSVGCY-UHFFFAOYSA-N
HMDB59638,602.956990191,C10H17N5O17P4,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3O)[C@]([H])(O)[C@]1([H])OP(O)(=O)OP(O)(O)=O,"InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",BUFLLCUFNHESEH,UUOKFMHZSA,N,"Guanosine 3',5'-bis(diphosphate)",BUFLLCUFNHESEH-UUOKFMHZSA-N
HMDB59639,363.057998961,C10H14N5O8P,[H][C@@]12COP(O)(=O)O[C@]1([H])C(O)(O)[C@]1([H])NC3=C(NC(=N)N=C3O)N[C@]1([H])O2,"InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1",CZAKJJUNKNPTTO,AJFJRRQVSA,N,Cyclic pyranopterin monophosphate,CZAKJJUNKNPTTO-AJFJRRQVSA-N
HMDB59640,544.916004383,C10H18MoN5O7PS3,O.S.[Mo++].OC1=NC(=N)NC2=C1NC1C(N2)OC(COP(O)(O)=O)C(S)=C1S,"InChI=1S/C10H14N5O6PS2.Mo.H2O.H2S/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;2*1H2/q;+2;;",DGWROKACVVSIEY,UHFFFAOYSA,N,Thio-molybdenum cofactor,DGWROKACVVSIEY-UHFFFAOYSA-N
HMDB59641,414.386166222,C29H50O,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CCC2C(C)(C)C(O)CC[C@]12C,"InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h11,19-20,22-26,30H,8-10,12-18H2,1-7H3/t20-,22-,23+,24+,25?,26?,28-,29-/m1/s1",UVNXFLZMQCAWCP,JBBIFICKSA,N,"4,4-Dimethyl-5-alpha-cholest-7-en-3-beta-ol",UVNXFLZMQCAWCP-JBBIFICKSA-N
HMDB59642,430.381080844,C29H50O2,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CCC2C(C)(CO)C(O)CC[C@]12C,"InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,19-20,22-26,30-31H,7-9,11-18H2,1-6H3/t20-,22-,23+,24+,25?,26?,27-,28-,29?/m1/s1",DWEXIFLNCXYYAA,NGHOBUOVSA,N,4-beta-Hydroxymethyl-4-alpha-methyl-5-alpha-cholest-7-en-3-beta-ol,DWEXIFLNCXYYAA-NGHOBUOVSA-N
HMDB59643,428.36543078,C29H48O2,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CCC2C(C)(C=O)C(O)CC[C@]12C,"InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,18-20,22-26,31H,7-9,11-17H2,1-6H3/t20-,22-,23+,24+,25?,26?,27-,28-,29?/m1/s1",HCOOTBJPHHNRCV,NGHOBUOVSA,N,3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carbaldehyde,HCOOTBJPHHNRCV-NGHOBUOVSA-N
HMDB59644,683.135336381,C21H31N7O15P2,[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=C(CC[C@]3([H])O)C(O)=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1",IDBZKGQRLBFUFQ,VPHRTNKSSA,N,"(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide",IDBZKGQRLBFUFQ-VPHRTNKSSA-N
HMDB59645,335.06442701,C11H16N2O8P,[H][C@]1(COP(O)(O)=O)O[C@@]([H])([N+]2=CC=CC(=C2)C(O)=N)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1",DAYLJWODMCOQEW,TURQNECASA,O,beta-nicotinamide D-ribonucleotide,DAYLJWODMCOQEW-TURQNECASA-O
HMDB59646,336.048442595,C11H15NO9P,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CC=CC(=C1)C(O)=O,"InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1/t7-,8-,9-,10-/m1/s1",JOUIQRNQJGXQDC,ZYUZMQFOSA,O,nicotinate beta-D-ribonucleotide,JOUIQRNQJGXQDC-ZYUZMQFOSA-O
HMDB59647,666.928405979,C10H18N5O19P5,NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",WYJWVZZCMBUPSP,KQYNXXCUSA,N,Adenosine 5'-pentaphosphate,WYJWVZZCMBUPSP-KQYNXXCUSA-N
HMDB59648,443.024329371,C10H15N5O11P2,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(O)=O)N1C(O)=NC2=C1NC(=N)N=C2O,"InChI=1S/C10H15N5O11P2/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(25-5)2-24-28(22,23)26-27(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",LJMLTZSNWOCYNQ,VPENINKCSA,N,8-oxo-dGDP,LJMLTZSNWOCYNQ-VPENINKCSA-N
HMDB59649,129.078978601,C6H11NO2,CC(CC=O)N=C(C)O,"InChI=1S/C6H11NO2/c1-5(3-4-8)7-6(2)9/h4-5H,3H2,1-2H3,(H,7,9)",SOYLQPBXNGCSNB,UHFFFAOYSA,N,3-Acetamidobutanal,SOYLQPBXNGCSNB-UHFFFAOYSA-N
HMDB59650,51.971592361,ClHO,OCl,InChI=1S/ClHO/c1-2/h2H,QWPPOHNGKGFGJK,UHFFFAOYSA,N,HClO,QWPPOHNGKGFGJK-UHFFFAOYSA-N
HMDB59651,306.037567296,C14H10O8,OC(=O)C1=C(O)C=C(O)C=C1OC(=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C14H10O8/c15-7-4-10(18)12(13(19)20)11(5-7)22-14(21)6-1-2-8(16)9(17)3-6/h1-5,15-18H,(H,19,20)",GRXIELRCPYIEQI,UHFFFAOYSA,N,"2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate",GRXIELRCPYIEQI-UHFFFAOYSA-N
HMDB59652,316.240230268,C21H32O2,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(=O)CC[C@]12C,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14?,16-,17+,18-,19-,20-,21+/m0/s1",XMRPGKVKISIQBV,CVHNGYJVSA,N,"5-alpha-Pregnan-3,20-dione",XMRPGKVKISIQBV-CVHNGYJVSA-N
HMDB59653,463.074042955,C14H18N5O11P,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C12,"InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1",OFBHPPMPBOJXRT,VWJPMABRSA,N,"N(6)-(1,2-dicarboxyethyl)AMP",OFBHPPMPBOJXRT-VWJPMABRSA-N
HMDB59654,214.024239218,C5H11O7P,[H][C@@]1(O)C[C@]([H])(O)[C@@]([H])(COP(O)(O)=O)O1,"InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1",KKZFLSZAWCYPOC,LMVFSUKVSA,N,Deoxyribose 5-monophosphate,KKZFLSZAWCYPOC-LMVFSUKVSA-N
HMDB59655,148.037173366,C5H8O5,OC(CCC(O)=O)C(O)=O,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)",HWXBTNAVRSUOJR,UHFFFAOYSA,N,2-Hydroxyglutarate,HWXBTNAVRSUOJR-UHFFFAOYSA-N
HMDB59656,601.082238179,C17H25N5O15P2,CC(=O)OC1C(O)OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C(N)N=CN=C23)C1O,"InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)",BFNOPXRXIQJDHO,UHFFFAOYSA,N,O-acetyl-ADP-ribose,BFNOPXRXIQJDHO-UHFFFAOYSA-N
HMDB59657,127.063328537,C6H9NO2,[H][C@]1(CCCC=N1)C(O)=O,"InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)/t5-/m0/s1",CSDPVAKVEWETFG,YFKPBYRVSA,N,"(S)-2,3,4,5-tetrahydropyridine-2-carboxylate",CSDPVAKVEWETFG-YFKPBYRVSA-N
HMDB59658,241.117489371,C9H15N5O3,[H][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O,"InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1",FNKQXYHWGSIFBK,RPDRRWSUSA,N,L-erythro-tetrahydrobiopterin,FNKQXYHWGSIFBK-RPDRRWSUSA-N
HMDB59659,131.058243159,C5H9NO3,[H][C@]1(O)CCN[C@]1([H])C(O)=O,"InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1",BJBUEDPLEOHJGE,IMJSIDKUSA,N,Trans-3-hydroxy-L-proline,BJBUEDPLEOHJGE-IMJSIDKUSA-N
HMDB59660,215.055873697,C5H14NO6P,NCCO[P@@](O)(=O)OC[C@@H](O)CO,"InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m0/s1",JZNWSCPGTDBMEW,YFKPBYRVSA,N,sn-glycero-3-Phosphoethanolamine,JZNWSCPGTDBMEW-YFKPBYRVSA-N
HMDB59661,252.136159128,C14H20O4,COC1=C(O)C(C)=C(CC=C(C)C)C(O)=C1OC,"InChI=1S/C14H20O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6,15-16H,7H2,1-5H3",TVLSKGDBUQMDPR,UHFFFAOYSA,N,QH(2),TVLSKGDBUQMDPR-UHFFFAOYSA-N
HMDB59662,409.159748115,C17H23N5O7,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(CN[C@H]2C=C[C@H](O)[C@@H]2O)C2=C1NC(=N)N=C2O,"InChI=1S/C17H23N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h1-2,4,7-9,11-13,16,19,23-27H,3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16+/m0/s1",QQXQGKSPIMGUIZ,AEZJAUAXSA,N,Q,QQXQGKSPIMGUIZ-AEZJAUAXSA-N
HMDB59663,202.033819322,C5H6N4O5,NC(=O)NC1=NC(=O)NC1(O)C(O)=O,"InChI=1S/C5H6N4O5/c6-3(12)7-1-5(14,2(10)11)9-4(13)8-1/h14H,(H,10,11)(H4,6,7,8,9,12,13)",WHKYNCPIXMNTRQ,UHFFFAOYSA,N,"5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate",WHKYNCPIXMNTRQ-UHFFFAOYSA-N
HMDB59664,151.99657088,C4H8O2S2,O[C@H]1CSSC[C@@H]1O,"InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1",YPGMOWHXEQDBBV,IMJSIDKUSA,N,Oxidized dithiothreitol,YPGMOWHXEQDBBV-IMJSIDKUSA-N
HMDB59667,132.02450019,C5H8O2S,CC1=CCS(=O)(=O)C1,"InChI=1S/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3",FAYFWMOSHFCQPG,UHFFFAOYSA,N,3-Methyl sulfolene,FAYFWMOSHFCQPG-UHFFFAOYSA-N
HMDB59676,202.172150704,C15H22,CC1CC=CC2=CCC(CC12C)=C(C)C,"InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12H,6,8,10H2,1-4H3",QSUQBXKPPUWLTH,UHFFFAOYSA,N,beta-Vatirenene,QSUQBXKPPUWLTH-UHFFFAOYSA-N
HMDB59677,188.120115134,C13H16O,CC1=C(C)C(CC(=O)C=C)=C(C)C=C1,"InChI=1S/C13H16O/c1-5-12(14)8-13-10(3)7-6-9(2)11(13)4/h5-7H,1,8H2,2-4H3",KBGDCKHDBZJUKE,UHFFFAOYSA,N,"3-Buten-2-one 1-(2,3,6-trimethyl phenyl)",KBGDCKHDBZJUKE-UHFFFAOYSA-N
HMDB59678,102.068079564,C5H10O2,CCCC(=O)CO,"InChI=1S/C5H10O2/c1-2-3-5(7)4-6/h6H,2-4H2,1H3",WOVLKKLXYZJMSN,UHFFFAOYSA,N,1-Hydroxy-2-pentanone,WOVLKKLXYZJMSN-UHFFFAOYSA-N
HMDB59683,188.120115134,C13H16O,CC1=CC2=C(C=C1C)C(C)(C)CC2=O,"InChI=1S/C13H16O/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6H,7H2,1-4H3",BXABKFVJTUQBMS,UHFFFAOYSA,N,"1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl",BXABKFVJTUQBMS-UHFFFAOYSA-N
HMDB59689,204.187800768,C15H24,CC(C)CC(C)C1=C(C)C=C(C)C=C1C,"InChI=1S/C15H24/c1-10(2)7-12(4)15-13(5)8-11(3)9-14(15)6/h8-10,12H,7H2,1-6H3",IYHMGJWXHMMQEK,UHFFFAOYSA,N,"Benzylalcohol alpha-isobutyl-2,4,6-trimethyl(1-mestyl-3-methyl-1-butanol)",IYHMGJWXHMMQEK-UHFFFAOYSA-N
HMDB59693,114.10446507,C7H14O,CC1(O)CCCCC1,"InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3",VTBOTOBFGSVRMA,UHFFFAOYSA,N,1-Methylcyclohexanol,VTBOTOBFGSVRMA-UHFFFAOYSA-N
HMDB59695,204.187800768,C15H24,[H][C@@]12CC[C@@H](C)[C@]11C[C@@H](C(C)=CC1)C2(C)C,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1",IRAQOCYXUMOFCW,OSFYFWSMSA,N,alpha-Cedrene,IRAQOCYXUMOFCW-OSFYFWSMSA-N
HMDB59696,174.140850576,C13H18,CC1CCCC2=C(C)C=C(C)C=C12,"InChI=1S/C13H18/c1-9-7-11(3)12-6-4-5-10(2)13(12)8-9/h7-8,10H,4-6H2,1-3H3",VJFBUCVRMBYHAH,UHFFFAOYSA,N,"1,2,3,4,Tetrahydro-1,5,7-trimethylnapthalene",VJFBUCVRMBYHAH-UHFFFAOYSA-N
HMDB59697,188.120115134,C13H16O,CC1=C(C)C(CC(=O)C=C)=C(C)C=C1,"InChI=1S/C13H16O/c1-5-12(14)8-13-10(3)7-6-9(2)11(13)4/h5-7H,1,8H2,2-4H3",KBGDCKHDBZJUKE,UHFFFAOYSA,N,"1-(2,3,6-trimethyl phenyl)-3-Buten-2-one",KBGDCKHDBZJUKE-UHFFFAOYSA-N
HMDB59698,198.140850576,C15H18,CC(C)C1=C2C=C(C)C=CC2=C(C)C=C1,"InChI=1S/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3",VMOJIHDTVZTGDO,UHFFFAOYSA,N,Cadalene,VMOJIHDTVZTGDO-UHFFFAOYSA-N
HMDB59701,170.109550448,C13H14,CC1=CC2=CC=CC(C)=C2C=C1C,"InChI=1S/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3",JBXULKRNHAQMAS,UHFFFAOYSA,N,"1,6,7-Trimethylnaphthalene",JBXULKRNHAQMAS-UHFFFAOYSA-N
HMDB59704,196.059640142,C7H8N4O3,CN1C(=O)NC2=C1N(C)C(=O)NC2=O,"InChI=1S/C7H8N4O3/c1-10-5-3(8-6(10)13)4(12)9-7(14)11(5)2/h1-2H3,(H,8,13)(H,9,12,14)",HCUXKVFCFSVKHK,UHFFFAOYSA,N,"3,9-Dimethyluric acid",HCUXKVFCFSVKHK-UHFFFAOYSA-N
HMDB59705,148.073558872,C6H12O4,COCCOC(C)C(O)=O,"InChI=1S/C6H12O4/c1-5(6(7)8)10-4-3-9-2/h5H,3-4H2,1-2H3,(H,7,8)",JIXHYWCLUOGIMM,UHFFFAOYSA,N,(2-Methoxyethoxy)propanoic acid,JIXHYWCLUOGIMM-UHFFFAOYSA-N
HMDB59708,202.120509064,C10H18O4,CCC(CCCCCC(O)=O)C(O)=O,"InChI=1S/C10H18O4/c1-2-8(10(13)14)6-4-3-5-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)",WUDDSDIHJHPJRP,UHFFFAOYSA,N,2-Ethylsuberic acid,WUDDSDIHJHPJRP-UHFFFAOYSA-N
HMDB59709,124.0524295,C7H8O2,OCC1=C(O)C=CC=C1,"InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2",CQRYARSYNCAZFO,UHFFFAOYSA,N,2-Hydroxybenzyl alcohol,CQRYARSYNCAZFO-UHFFFAOYSA-N
HMDB59710,139.026943031,C6H5NO3,OC(=O)C1=CC=CN=C1O,"InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)",UEYQJQVBUVAELZ,UHFFFAOYSA,N,2-Hydroxynicotinic acid,UEYQJQVBUVAELZ-UHFFFAOYSA-N
HMDB59711,136.063662888,C7H8N2O,CC1=C(C=CC=N1)C(N)=O,"InChI=1S/C7H8N2O/c1-5-6(7(8)10)3-2-4-9-5/h2-4H,1H3,(H2,8,10)",JRYYVMDEUJQWRO,UHFFFAOYSA,N,2-Methylnicotinamide,JRYYVMDEUJQWRO-UHFFFAOYSA-N
HMDB59712,124.0524295,C7H8O2,OCC1=CC=CC(O)=C1,"InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2",OKVJCVWFVRATSG,UHFFFAOYSA,N,3-Hydroxybenzyl alcohol,OKVJCVWFVRATSG-UHFFFAOYSA-N
HMDB59713,168.042258744,C8H8O4,COC1=CC=CC(C(O)=O)=C1O,"InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)",AUZQQIPZESHNMG,UHFFFAOYSA,N,3-Methoxysalicylic acid,AUZQQIPZESHNMG-UHFFFAOYSA-N
HMDB59716,166.049075456,C6H6N4O2,CN1C=NC2=C1NC(=O)NC2=O,"InChI=1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12)",DHNIKYWYTSMDDA,UHFFFAOYSA,N,9-Methylxanthine,DHNIKYWYTSMDDA-UHFFFAOYSA-N
HMDB59717,246.121571696,C10H18N2O5,CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O,"InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-9(15)6(11)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1",SITLTJHOQZFJGG,XPUUQOCRSA,N,Glu-Val,SITLTJHOQZFJGG-XPUUQOCRSA-N
HMDB59718,325.137281339,C12H23NO9,OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C12H23NO9/c14-2-4-11(7(17)5(16)1-13-4)22-12-10(20)9(19)8(18)6(3-15)21-12/h4-20H,1-3H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-/m1/s1",GNVIYGFSOIHFHK,NIKVEEOSSA,N,Glucopyranosylmoranoline,GNVIYGFSOIHFHK-NIKVEEOSSA-N
HMDB59719,202.120509064,C10H18O4,CCCCCCCC(C(O)=O)C(O)=O,"InChI=1S/C10H18O4/c1-2-3-4-5-6-7-8(9(11)12)10(13)14/h8H,2-7H2,1H3,(H,11,12)(H,13,14)",YSFZWUJOBANROZ,UHFFFAOYSA,N,Heptylmalonic acid,YSFZWUJOBANROZ-UHFFFAOYSA-N
HMDB59720,181.073893223,C9H11NO3,N[C@@H](CC1=CC=CC(O)=C1)C(O)=O,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",JZKXXXDKRQWDET,QMMMGPOBSA,N,Meta-Tyrosine,JZKXXXDKRQWDET-QMMMGPOBSA-N
HMDB59721,194.057908808,C10H10O4,OC(=O)CC(=O)OCC1=CC=CC=C1,"InChI=1S/C10H10O4/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)",CFLAHQSWDKNWPW,UHFFFAOYSA,N,mono-Benzyl malonate,CFLAHQSWDKNWPW-UHFFFAOYSA-N
HMDB59722,160.073558872,C7H12O4,COC(=O)CCCCC(O)=O,"InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)",UOBSVARXACCLLH,UHFFFAOYSA,N,Mono-methyl-adipate,UOBSVARXACCLLH-UHFFFAOYSA-N
HMDB59723,194.069142196,C9H10N2O3,OC(=O)CNC(=O)CC1=CC=CC=N1,"InChI=1S/C9H10N2O3/c12-8(11-6-9(13)14)5-7-3-1-2-4-10-7/h1-4H,5-6H2,(H,11,12)(H,13,14)",CWRPZJWABUTVME,UHFFFAOYSA,N,Pyridylacetylglycine,CWRPZJWABUTVME-UHFFFAOYSA-N
HMDB59724,189.993593992,C6H6O5S,OC1=CC=CC=C1OS(O)(=O)=O,"InChI=1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10)",MZPWKJZDOCIALD,UHFFFAOYSA,N,Pyrocatechol sulfate,MZPWKJZDOCIALD-UHFFFAOYSA-N
HMDB59726,136.125200512,C10H16,CC1CC2C(C=C1)C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4-5,7-9H,6H2,1-3H3",LGNSZMLHOYDATP,UHFFFAOYSA,N,(+)-4-Carene,LGNSZMLHOYDATP-UHFFFAOYSA-N
HMDB59727,174.089208936,C8H14O4,CC(CC(C)C(O)=O)CC(O)=O,"InChI=1S/C8H14O4/c1-5(4-7(9)10)3-6(2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)",OEEUPULXQBRPEO,UHFFFAOYSA,N,"2,4-Dimethyladipic acid",OEEUPULXQBRPEO-UHFFFAOYSA-N
HMDB59728,156.115029756,C9H16O2,CCCC\C=C\CC(=O)OC,"InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h6-7H,3-5,8H2,1-2H3/b7-6+",HAGXFSMJELVHFJ,VOTSOKGWSA,N,Methyl 3-Octenoate,HAGXFSMJELVHFJ-VOTSOKGWSA-N
HMDB59729,226.120509064,C12H18O4,OC(=O)CCCCCC(=C)C(=C)CC(O)=O,"InChI=1S/C12H18O4/c1-9(10(2)8-12(15)16)6-4-3-5-7-11(13)14/h1-8H2,(H,13,14)(H,15,16)",YVOCTABTPCVYNG,UHFFFAOYSA,N,"3,4-Methylenesebacic acid",YVOCTABTPCVYNG-UHFFFAOYSA-N
HMDB59730,184.073558872,C9H12O4,OC(=O)CCC(=C)C(=C)CC(O)=O,"InChI=1S/C9H12O4/c1-6(3-4-8(10)11)7(2)5-9(12)13/h1-5H2,(H,10,11)(H,12,13)",CSNVGEOLHZRUFI,UHFFFAOYSA,N,"3,4-Methylenepimelic acid",CSNVGEOLHZRUFI-UHFFFAOYSA-N
HMDB59731,156.042258744,C7H8O4,OC(=O)CC(=C)C(=C)C(O)=O,"InChI=1S/C7H8O4/c1-4(3-6(8)9)5(2)7(10)11/h1-3H2,(H,8,9)(H,10,11)",YNNMOGWGBFSMGB,UHFFFAOYSA,N,"2,3-Methyleneglutaric acid",YNNMOGWGBFSMGB-UHFFFAOYSA-N
HMDB59732,265.095022595,C13H15NO5,CCC(=O)NC(OC(=O)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C13H15NO5/c1-2-10(15)14-12(13(17)18)19-11(16)8-9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3,(H,14,15)(H,17,18)",CFIIOIQADIQNGQ,UHFFFAOYSA,N,2-(2-Phenylacetoxy)propionylglycine,CFIIOIQADIQNGQ-UHFFFAOYSA-N
HMDB59733,170.109550448,C13H14,CC1=CC=CC2=C(C)C=CC(C)=C12,"InChI=1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3",FSAWRQYDMHSDRN,UHFFFAOYSA,N,"1,4,5-Trimethyl-naphtalene",FSAWRQYDMHSDRN-UHFFFAOYSA-N
HMDB59734,124.027277382,C5H4N2O2,OC(=O)C1=CN=CC=N1,"InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)",NIPZZXUFJPQHNH,UHFFFAOYSA,N,Pyrazin-2-carboxylic acid,NIPZZXUFJPQHNH-UHFFFAOYSA-N
HMDB59735,126.031694058,C6H6O3,CC1=CC=C(O1)C(O)=O,"InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)",OVOCLWJUABOAPL,UHFFFAOYSA,N,5-Methylfuran-2-carboxylic acid,OVOCLWJUABOAPL-UHFFFAOYSA-N
HMDB59736,201.149069538,C11H21O3,CCCCCCCCCC(O)C([O-])=O,"InChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10,12H,2-9H2,1H3,(H,13,14)/p-1",MNRBGFKCVTVNBA,UHFFFAOYSA,M,2-Hydroxyundecanoate,MNRBGFKCVTVNBA-UHFFFAOYSA-M
HMDB59737,160.037173366,C6H8O5,CC(O)(CC([O-])=O)CC([O-])=O,"InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/p-2",NPOAOTPXWNWTSH,UHFFFAOYSA,L,3-Methyl-3-hydroxypentanedioate,NPOAOTPXWNWTSH-UHFFFAOYSA-L
HMDB59738,160.073558872,C7H12O4,CCC(CCC(O)=O)C(O)=O,"InChI=1S/C7H12O4/c1-2-5(7(10)11)3-4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)",QHNBKRVBKPWUKG,UHFFFAOYSA,N,2-Ethylglutaric acid,QHNBKRVBKPWUKG-UHFFFAOYSA-N
HMDB59739,190.172150704,C14H22,CCC1=CC(=CC(=C1)C(C)C)C(C)C,"InChI=1S/C14H22/c1-6-12-7-13(10(2)3)9-14(8-12)11(4)5/h7-11H,6H2,1-5H3",HWWKORYFZUHZKW,UHFFFAOYSA,N,"1-Ethyl-3,5-diisopropyl-benzene",HWWKORYFZUHZKW-UHFFFAOYSA-N
HMDB59740,118.099379692,C6H14O2,CC(C)CC(O)CO,"InChI=1S/C6H14O2/c1-5(2)3-6(8)4-7/h5-8H,3-4H2,1-2H3",AMOCOBXCNIBDMC,UHFFFAOYSA,N,"4-Methyl-1,2-dihydroxypentane",AMOCOBXCNIBDMC-UHFFFAOYSA-N
HMDB59741,284.994322273,C10H7NO7S,OC(=O)C1=CC(=O)C2=CC=CC(OS(O)(=O)=O)=C2N1,"InChI=1S/C10H7NO7S/c12-7-4-6(10(13)14)11-9-5(7)2-1-3-8(9)18-19(15,16)17/h1-4H,(H,11,12)(H,13,14)(H,15,16,17)",FNGKEPQCRRMUOC,UHFFFAOYSA,N,xanthurenic acid 8-O-sulfate,FNGKEPQCRRMUOC-UHFFFAOYSA-N
HMDB59743,130.02660868,C5H6O4,OC(=O)C1CCC(=O)O1,"InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)",QVADRSWDTZDDGR,UHFFFAOYSA,N,2-Hydroxyglutaric acid lactone,QVADRSWDTZDDGR-UHFFFAOYSA-N
HMDB59744,212.104859,C11H16O4,OC(=O)CCCCC(=C)C(=C)CC(O)=O,"InChI=1S/C11H16O4/c1-8(9(2)7-11(14)15)5-3-4-6-10(12)13/h1-7H2,(H,12,13)(H,14,15)",DHNSTMIMQCKEPC,UHFFFAOYSA,N,"3,4-Methyleneazelaic acid",DHNSTMIMQCKEPC-UHFFFAOYSA-N
HMDB59745,201.136493479,C10H19NO3,CCCCCCC(N=C(C)O)C(O)=O,"InChI=1S/C10H19NO3/c1-3-4-5-6-7-9(10(13)14)11-8(2)12/h9H,3-7H2,1-2H3,(H,11,12)(H,13,14)",JJGNMSOJTSABGA,UHFFFAOYSA,N,N-Acetylaminooctanoic acid,JJGNMSOJTSABGA-UHFFFAOYSA-N
HMDB59746,342.110338308,C19H18O6,OC1=C(O)C=C(C=C1)[C@H]1OCC2C1CO[C@@H]2C1=CC=C2OCOC2=C1,"InChI=1S/C19H18O6/c20-14-3-1-10(5-15(14)21)18-12-7-23-19(13(12)8-22-18)11-2-4-16-17(6-11)25-9-24-16/h1-6,12-13,18-21H,7-9H2/t12?,13?,18-,19-/m1/s1",CGEORJKFOZSMEZ,NWZDRYQDSA,N,"(1R,2S,5R,6S)-6-(3,4-Dihydroxyphenyl)-2-(3,4-methylenedioxyphenyl)-3,7-dioxabicyclo-[3,3,0]octane",CGEORJKFOZSMEZ-NWZDRYQDSA-N
HMDB59747,251.079372531,C12H13NO5,COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O,"InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+",CLGNQAIRBLDHIN,HWKANZROSA,N,4-Hydroxy-3-methoxy-cinnamoylglycine,CLGNQAIRBLDHIN-HWKANZROSA-N
HMDB59748,104.047344122,C4H8O3,COC(=O)CCO,"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3",RVGLEPQPVDUSOJ,UHFFFAOYSA,N,2-Methyl-3-hydroxypropanoate,RVGLEPQPVDUSOJ-UHFFFAOYSA-N
HMDB59749,153.042593095,C7H7NO3,COC1=CC=C(C=N1)C(O)=O,"InChI=1S/C7H7NO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10)",NVDJVEQITUWZDT,UHFFFAOYSA,N,6-Methoxy-pyridine-3-carboxylic acid,NVDJVEQITUWZDT-UHFFFAOYSA-N
HMDB59750,166.047738052,C5H10O6,OCC(O)C(O)C(O)C(O)=O,"InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)",QXKAIJAYHKCRRA,UHFFFAOYSA,N,"2,3,4,5-Tetrahydroxypentanoic acid",QXKAIJAYHKCRRA-UHFFFAOYSA-N
HMDB59752,205.988508614,C6H6O6S,OS(=O)(=O)OCC1=CC=C(O1)C=O,"InChI=1S/C6H6O6S/c7-3-5-1-2-6(12-5)4-11-13(8,9)10/h1-3H,4H2,(H,8,9,10)",WVMJEBICTINBRO,UHFFFAOYSA,N,5-Sulfoxymethylfurfural,WVMJEBICTINBRO-UHFFFAOYSA-N
HMDB59753,150.05282343,C5H10O5,OCC(O)C(O)CC(O)=O,"InChI=1S/C5H10O5/c6-2-4(8)3(7)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)",VBUWJOHKCBQXNU,UHFFFAOYSA,N,2-Deoxypentonic acid,VBUWJOHKCBQXNU-UHFFFAOYSA-N
HMDB59754,202.120509064,C10H18O4,CC(CCCCCC(O)=O)CC(O)=O,"InChI=1S/C10H18O4/c1-8(7-10(13)14)5-3-2-4-6-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)",PLOUQIGEQKCKHG,UHFFFAOYSA,N,3-Methylazelaic acid,PLOUQIGEQKCKHG-UHFFFAOYSA-N
HMDB59756,170.057908808,C8H10O4,OC(=O)CC(=C)C(=C)CC(O)=O,"InChI=1S/C8H10O4/c1-5(3-7(9)10)6(2)4-8(11)12/h1-4H2,(H,9,10)(H,11,12)",ZPWVTTHIHKYUQK,UHFFFAOYSA,N,"3,4-Methyleneadipic acid",ZPWVTTHIHKYUQK-UHFFFAOYSA-N
HMDB59757,174.089208936,C8H14O4,CC(CCCC(O)=O)CC(O)=O,"InChI=1S/C8H14O4/c1-6(5-8(11)12)3-2-4-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)",NXDCNRPLRGMKHU,UHFFFAOYSA,N,3-Methylpimelic acid,NXDCNRPLRGMKHU-UHFFFAOYSA-N
HMDB59758,162.05282343,C6H10O5,CCC(O)(CC(O)=O)C(O)=O,"InChI=1S/C6H10O5/c1-2-6(11,5(9)10)3-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)",YVYGHRNLPUMVBU,UHFFFAOYSA,N,2-Hydroxy-2-ethylsuccinic acid,YVYGHRNLPUMVBU-UHFFFAOYSA-N
HMDB59759,394.10525293,C22H18O7,O[C@@H]1[C@@H](O)[C@H](OC2=C3C=CC4=CC=CC5=C4C3=C(C=C2)C=C5)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1",BUCREAQPYGLZLI,SXFAUFNYSA,N,1-Hydroxypyrene glucuronide,BUCREAQPYGLZLI-SXFAUFNYSA-N
HMDB59760,188.104859,C9H16O4,CC(CCC(O)=O)CC(C)C(O)=O,"InChI=1S/C9H16O4/c1-6(3-4-8(10)11)5-7(2)9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)",TVWOTZQAXZHSLO,UHFFFAOYSA,N,"2,4-Dimethylpimelic acid",TVWOTZQAXZHSLO-UHFFFAOYSA-N
HMDB59761,152.120115134,C10H16O,CC(C)C1(CCC=CC1)C=O,"InChI=1S/C10H16O/c1-9(2)10(8-11)6-4-3-5-7-10/h3-4,8-9H,5-7H2,1-2H3",HSRWOAPOKHRLIT,UHFFFAOYSA,N,4-(1-Methylethyl)-1-cyclohexene-4-carboxaldehyde,HSRWOAPOKHRLIT-UHFFFAOYSA-N
HMDB59762,142.02660868,C6H6O4,OC(=O)C(=C)C(=C)C(O)=O,"InChI=1S/C6H6O4/c1-3(5(7)8)4(2)6(9)10/h1-2H2,(H,7,8)(H,9,10)",PQGVRLYVSSROJJ,UHFFFAOYSA,N,"2,3-Methylenesuccinic acid",PQGVRLYVSSROJJ-UHFFFAOYSA-N
HMDB59763,182.057908808,C9H10O4,COC1=C(OC)C=C(C=C1)C(O)=O,"InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)",DAUAQNGYDSHRET,UHFFFAOYSA,N,"3,4-Dimethoxybenzoic acid",DAUAQNGYDSHRET-UHFFFAOYSA-N
HMDB59764,156.093900384,C12H12,CC1=CC2=C(C=C1)C=C(C)C=C2,"InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3",YGYNBBAUIYTWBF,UHFFFAOYSA,N,"2,6-Dimethyl-naphtalene",YGYNBBAUIYTWBF-UHFFFAOYSA-N
HMDB59765,205.073893223,C11H11NO3,OC(CC(O)=O)C1=CNC2=C1C=CC=C2,"InChI=1S/C11H11NO3/c13-10(5-11(14)15)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,10,12-13H,5H2,(H,14,15)",HWRVAGPWLQXABS,UHFFFAOYSA,N,3-Indolehydracrylic acid,HWRVAGPWLQXABS-UHFFFAOYSA-N
HMDB59766,180.053492132,C8H8N2O3,OC(=O)CNC(=O)C1=NC=CC=C1,"InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-3-1-2-4-9-6/h1-4H,5H2,(H,10,13)(H,11,12)",MNYZGNSHBPLAFN,UHFFFAOYSA,N,Picolinoylglycine,MNYZGNSHBPLAFN-UHFFFAOYSA-N
HMDB59767,188.068473494,C8H12O5,OC(=O)CC1CCC(CC(O)=O)O1,"InChI=1S/C8H12O5/c9-7(10)3-5-1-2-6(13-5)4-8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)",CVYAVSIMBYOCGA,UHFFFAOYSA,N,"Tetrahydro-2,5-furan-diacetic acid",CVYAVSIMBYOCGA-UHFFFAOYSA-N
HMDB59768,198.089208936,C10H14O4,OC(=O)CCCC(=C)C(=C)CC(O)=O,"InChI=1S/C10H14O4/c1-7(4-3-5-9(11)12)8(2)6-10(13)14/h1-6H2,(H,11,12)(H,13,14)",LYUINLVGVDIMCT,UHFFFAOYSA,N,"3,4-Methylene suberic acid",LYUINLVGVDIMCT-UHFFFAOYSA-N
HMDB59770,132.07864425,C6H12O3,COC(=O)[C@H](C)[C@H](C)O,"InChI=1S/C6H12O3/c1-4(5(2)7)6(8)9-3/h4-5,7H,1-3H3/t4-,5+/m1/s1",FFJMPYODEQVBEX,UHNVWZDZSA,N,Threo-3-Hydroxy-2-methylbutyric acid,FFJMPYODEQVBEX-UHNVWZDZSA-N
HMDB59771,198.075290206,C7H10N4O3,CN1C(=O)NC(=O)C(NC(C)=O)=C1N,"InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)11(2)7(14)10-6(4)13/h8H2,1-2H3,(H,9,12)(H,10,13,14)",XWCBQDPCEYHYRB,UHFFFAOYSA,N,6-amino-5[N-methylformylamino]-1-methyluracil,XWCBQDPCEYHYRB-UHFFFAOYSA-N
HMDB59772,265.095022595,C13H15NO5,OC(=O)CC[C@H](NC(=O)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C13H15NO5/c15-11(8-9-4-2-1-3-5-9)14-10(13(18)19)6-7-12(16)17/h1-5,10H,6-8H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m0/s1",PTSRBZOZSRJCKX,JTQLQIEISA,N,N-Phenylacetylglutamic acid,PTSRBZOZSRJCKX-JTQLQIEISA-N
HMDB59773,245.144949675,C12H23NO2S,CCCCCCCC(=O)CC(=O)SCCN,"InChI=1S/C12H23NO2S/c1-2-3-4-5-6-7-11(14)10-12(15)16-9-8-13/h2-10,13H2,1H3",LGPPHMDEKCAPLE,UHFFFAOYSA,N,S-3-oxodecanoyl cysteamine,LGPPHMDEKCAPLE-UHFFFAOYSA-N
HMDB59775,220.058302738,C8H12O7,OC(=O)CCC(O)(CC(O)=O)CC(O)=O,"InChI=1S/C8H12O7/c9-5(10)1-2-8(15,3-6(11)12)4-7(13)14/h15H,1-4H2,(H,9,10)(H,11,12)(H,13,14)",GLPOQLKJZBFEMA,UHFFFAOYSA,N,3-Hydroxy-3-carboxymethyl-adipic acid,GLPOQLKJZBFEMA-UHFFFAOYSA-N
HMDB59777,286.214409448,C16H30O4,CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,"InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3",OMVSWZDEEGIJJI,UHFFFAOYSA,N,"2,2,4-Trimethyl-1,3-pentadienol diisobutyrate",OMVSWZDEEGIJJI-UHFFFAOYSA-N
HMDB59778,168.053492132,C7H8N2O3,OC(=O)CNC(=O)C1=CC=CN1,"InChI=1S/C7H8N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h1-3,8H,4H2,(H,9,12)(H,10,11)",GCBXCOXVQXMSOS,UHFFFAOYSA,N,2-Pyrroloylglycine,GCBXCOXVQXMSOS-UHFFFAOYSA-N
HMDB59779,198.089208936,C10H14O4,OC(=O)CCCCC(=C)C(=C)C(O)=O,"InChI=1S/C10H14O4/c1-7(8(2)10(13)14)5-3-4-6-9(11)12/h1-6H2,(H,11,12)(H,13,14)",CLAQTYSICSOFAV,UHFFFAOYSA,N,"2,3-Methylene suberic acid",CLAQTYSICSOFAV-UHFFFAOYSA-N
HMDB59780,307.128054057,C13H17N5O4,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1NC1=NCCCN1C2=O,"InChI=1S/C13H17N5O4/c19-5-8-7(20)4-9(22-8)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)21/h6-9,19-20H,1-5H2,(H,14,16)/t7-,8+,9+/m0/s1",HGYWFMCWAWUWRE,DJLDLDEBSA,N,"1,N2-propanodeoxyguanosine",HGYWFMCWAWUWRE-DJLDLDEBSA-N
HMDB59782,245.105193351,C14H15NO3,CC(=O)[C@@H]1CCC(=O)N1C(=O)CC1=CC=CC=C1,"InChI=1S/C14H15NO3/c1-10(16)12-7-8-13(17)15(12)14(18)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3/t12-/m0/s1",ASNIYCYEXPHRFD,LBPRGKRZSA,N,N-Phenylacetyl pyroglutamic acid,ASNIYCYEXPHRFD-LBPRGKRZSA-N
HMDB59783,188.104859,C9H16O4,CC(CCCCC(O)=O)CC(O)=O,"InChI=1S/C9H16O4/c1-7(6-9(12)13)4-2-3-5-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)",QIOYMVALOOEDDF,UHFFFAOYSA,N,3-Methylsuberic acid,QIOYMVALOOEDDF-UHFFFAOYSA-N
HMDB59784,128.010958616,C5H4O4,OC(=O)C1=CC=C(O)O1,"InChI=1S/C5H4O4/c6-4-2-1-3(9-4)5(7)8/h1-2,6H,(H,7,8)",JVUTYZQGCHCOPB,UHFFFAOYSA,N,5-Hydroxy-2-furoic acid,JVUTYZQGCHCOPB-UHFFFAOYSA-N
HMDB59785,287.860066434,C6H6Cl6,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl,"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-",JLYXXMFPNIAWKQ,CDRYSYESSA,N,beta-Hexachlorocyclohexane,JLYXXMFPNIAWKQ-CDRYSYESSA-N
HMDB59786,875.417753711,C43H57N9O11,[H][C@](N)(CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@]1([H])C(O)=N[C@]([H])(CCC(O)=N)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CCC(O)=N)C(=O)N1CCC[C@]1([H])C(O)=N[C@]([H])(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C43H57N9O11/c44-28(23-26-12-14-27(53)15-13-26)40(59)50-20-4-9-32(50)37(56)47-29(16-18-35(45)54)41(60)51-21-5-10-33(51)38(57)48-30(17-19-36(46)55)42(61)52-22-6-11-34(52)39(58)49-31(43(62)63)24-25-7-2-1-3-8-25/h1-3,7-8,12-15,28-34,53H,4-6,9-11,16-24,44H2,(H2,45,54)(H2,46,55)(H,47,56)(H,48,57)(H,49,58)(H,62,63)/t28-,29+,30-,31+,32-,33-,34+/m0/s1",QGFISQMZJLWFEE,HMJDZOACSA,N,Gliadorphin,QGFISQMZJLWFEE-HMJDZOACSA-N
HMDB59787,863.442905829,C44H61N7O11,CCC(C)C(N=C(O)C1CCCN1C(=O)C(CCC(O)=O)N=C(O)C(N=C(O)C(CC1=CC=CC=C1)N=C(O)C1CCCN1C(=O)C(N)CC1=CC=C(O)C=C1)C(C)C)C(O)=O,"InChI=1S/C44H61N7O11/c1-5-26(4)37(44(61)62)49-40(57)34-14-10-22-51(34)43(60)31(19-20-35(53)54)46-41(58)36(25(2)3)48-38(55)32(24-27-11-7-6-8-12-27)47-39(56)33-13-9-21-50(33)42(59)30(45)23-28-15-17-29(52)18-16-28/h6-8,11-12,15-18,25-26,30-34,36-37,52H,5,9-10,13-14,19-24,45H2,1-4H3,(H,46,58)(H,47,56)(H,48,55)(H,49,57)(H,53,54)(H,61,62)",ADBHAJDGVKLXHK,UHFFFAOYSA,N,Casomorphin,ADBHAJDGVKLXHK-UHFFFAOYSA-N
HMDB59788,565.253648499,C29H35N5O7,[H][C@](N)(CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@]([H])(C(O)=O)[C@@]([H])(C)O,"InChI=1S/C29H35N5O7/c1-16(35)25(29(40)41)33-26(37)23(14-18-15-31-22-6-3-2-5-20(18)22)32-27(38)24-7-4-12-34(24)28(39)21(30)13-17-8-10-19(36)11-9-17/h2-3,5-6,8-11,15-16,21,23-25,31,35-36H,4,7,12-14,30H2,1H3,(H,32,38)(H,33,37)(H,40,41)/t16-,21+,23+,24+,25+/m1/s1",WEGGKZQIJMQCGR,RECQUVTISA,N,Hemorphin-4,WEGGKZQIJMQCGR-RECQUVTISA-N
HMDB59789,892.433069424,C44H60N8O12,[H][C@](C)(O)[C@]([H])(N=C(O)[C@]([H])(CC1=CNC2=CC=CC=C12)N=C(O)[C@]1([H])CCCN1C(=O)[C@]([H])(CC1=CC=C(O)C=C1)N=C(O)[C@@]([H])(N=C(O)[C@@]([H])(N)C(C)C)C(C)C)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=O,"InChI=1S/C44H60N8O12/c1-22(2)35(45)40(59)50-36(23(3)4)41(60)49-32(19-25-12-14-27(54)15-13-25)43(62)52-18-8-11-33(52)39(58)48-31(20-26-21-46-29-10-7-6-9-28(26)29)38(57)51-37(24(5)53)42(61)47-30(44(63)64)16-17-34(55)56/h6-7,9-10,12-15,21-24,30-33,35-37,46,53-54H,8,11,16-20,45H2,1-5H3,(H,47,61)(H,48,58)(H,49,60)(H,50,59)(H,51,57)(H,55,56)(H,63,64)/t24-,30+,31+,32+,33+,35+,36+,37+/m1/s1",CNYWVXYFCKFXLL,NMUVPRMFSA,N,Valorphin,CNYWVXYFCKFXLL-NMUVPRMFSA-N
HMDB59790,876.474540308,C45H64N8O10,[H][C@](N)(CC(C)C)C(O)=N[C@@]([H])(C(C)C)C(O)=N[C@@]([H])(C(C)C)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@]([H])(C(O)=O)[C@@]([H])(C)O,"InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1",BXIFNVGZIMFBQB,DYDSHOKNSA,N,Spinorphin,BXIFNVGZIMFBQB-DYDSHOKNSA-N
HMDB59791,983.512339571,C44H69N15O9S,[H][C@](N)(CC1=CC=C(O)C=C1)C(O)=NCC(O)=NCC(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=N[C@@]([H])(CCSC)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(C(C)C)C(O)=N,"InChI=1S/C44H69N15O9S/c1-25(2)36(37(46)63)59-41(67)31(12-8-19-52-44(49)50)57-39(65)30(11-7-18-51-43(47)48)56-40(66)32(17-20-69-3)58-42(68)33(22-26-9-5-4-6-10-26)55-35(62)24-53-34(61)23-54-38(64)29(45)21-27-13-15-28(60)16-14-27/h4-6,9-10,13-16,25,29-33,36,60H,7-8,11-12,17-24,45H2,1-3H3,(H2,46,63)(H,53,61)(H,54,64)(H,55,62)(H,56,66)(H,57,65)(H,58,68)(H,59,67)(H4,47,48,51)(H4,49,50,52)/t29-,30-,31+,32-,33-,36-/m0/s1",XJOQRTJDYAHKPY,YVWIMRNGSA,N,Adrenorphin,XJOQRTJDYAHKPY-YVWIMRNGSA-N
HMDB59792,692.371806572,C29H48N12O8,[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=N[C@@]([H])(CO)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=O,"InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1",TWWFCOBVAKAKIT,SXYSDOLCSA,N,Opiorphin,TWWFCOBVAKAKIT-SXYSDOLCSA-N
HMDB59793,600.266952839,C29H38N5O9,CC(O)C(N=C(O)C1CCCN1C(=O)C(CC1=CC=C(O)C=C1)N=C(O)C(CC1=CC=C(O)C=C1)N=C(O)C[NH3+])C(O)=O,"InChI=1S/C29H37N5O9/c1-16(35)25(29(42)43)33-27(40)23-3-2-12-34(23)28(41)22(14-18-6-10-20(37)11-7-18)32-26(39)21(31-24(38)15-30)13-17-4-8-19(36)9-5-17/h4-11,16,21-23,25,35-37H,2-3,12-15,30H2,1H3,(H,31,38)(H,32,39)(H,33,40)(H,42,43)/p+1",SBTRTGWXCQVLKM,UHFFFAOYSA,O,Gluten exorphin A5,SBTRTGWXCQVLKM-UHFFFAOYSA-O
HMDB59794,529.180877487,C24H27N5O9,[H][C@](N)(CC1=CC=C(O)C=C1)C(=O)ONCC(=O)ONCC(=O)ON[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C24H27N5O9/c25-18(9-14-5-7-16(30)8-6-14)24(35)38-28-12-21(31)36-27-13-22(32)37-29-20(23(33)34)10-15-11-26-19-4-2-1-3-17(15)19/h1-8,11,18,20,26-30H,9-10,12-13,25H2,(H,33,34)/t18-,20-/m0/s1",WHGKXKRERBUEES,ICSRJNTNSA,N,Gluten exorphin B4,WHGKXKRERBUEES-ICSRJNTNSA-N
HMDB59795,658.259856088,C30H38N6O11,[H][C@](N)(CC1=CC=C(O)C=C1)C(=O)ONCC(=O)ONCC(=O)ON[C@@]([H])(CC1=CNC2=CC=CC=C12)C(=O)ONC([H])(CC(C)C)C(O)=O,"InChI=1S/C30H38N6O11/c1-17(2)11-24(28(40)41)35-47-30(43)25(13-19-14-32-23-6-4-3-5-21(19)23)36-45-27(39)16-33-44-26(38)15-34-46-29(42)22(31)12-18-7-9-20(37)10-8-18/h3-10,14,17,22,24-25,32-37H,11-13,15-16,31H2,1-2H3,(H,40,41)/t22-,24?,25-/m0/s1",LMGQSWZKLPSOLV,HSPGVUBUSA,N,Gluten exorphin B5,LMGQSWZKLPSOLV-HSPGVUBUSA-N
HMDB59796,667.400372313,C29H57N5O12,[H][C@](C)(CC)[C@]([H])(NOC([H])(O)C1([H])CCCN1OC([H])(O)C([H])(N)CC1([H])CCC([H])(O)CC1)C(=O)ON[C@@]([H])(CO)C(=O)ONC([H])(CC(C)C)C(O)O,"InChI=1S/C29H57N5O12/c1-5-17(4)24(29(42)45-32-22(15-35)27(40)43-31-21(25(37)38)13-16(2)3)33-44-28(41)23-7-6-12-34(23)46-26(39)20(30)14-18-8-10-19(36)11-9-18/h16-26,28,31-33,35-39,41H,5-15,30H2,1-4H3/t17-,18?,19?,20?,21?,22-,23?,24-,26?,28?/m0/s1",NTRLIGNZTBVESB,YWOONSNISA,N,Gluten exorphin C,NTRLIGNZTBVESB-YWOONSNISA-N
HMDB59797,194.073164942,C14H10O,OC1=CC=CC2=C1C=CC1=CC=CC=C21,"InChI=1S/C14H10O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9,15H",GTBXZWADMKOZQJ,UHFFFAOYSA,N,1-Hydroxyphenanthrene,GTBXZWADMKOZQJ-UHFFFAOYSA-N
HMDB59798,194.073164942,C14H10O,OC1=CC=C2C(C=CC3=CC=CC=C23)=C1,"InChI=1S/C14H10O/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9,15H",YPWLZGITFNGGKW,UHFFFAOYSA,N,2-Hydroxyphenanthrene,YPWLZGITFNGGKW-UHFFFAOYSA-N
HMDB59799,194.073164942,C14H10O,OC1=CC2=C(C=C1)C=CC1=CC=CC=C21,"InChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H",NGPOABOEXMDQBT,UHFFFAOYSA,N,3-Hydroxyphenanthrene,NGPOABOEXMDQBT-UHFFFAOYSA-N
HMDB59800,194.073164942,C14H10O,OC1=CC=CC2=C1C1=CC=CC=C1C=C2,"InChI=1S/C14H10O/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9,15H",SIMYIUXARJLHEA,UHFFFAOYSA,N,4-Hydroxyphenanthrene,SIMYIUXARJLHEA-UHFFFAOYSA-N
HMDB59801,194.073164942,C14H10O,OC1=CC2=CC=CC=C2C2=CC=CC=C12,"InChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H",DZKIUEHLEXLYKM,UHFFFAOYSA,N,9-Hydroxyphenanthrene,DZKIUEHLEXLYKM-UHFFFAOYSA-N
HMDB59802,182.073164942,C13H10O,OC1=CC2=C(CC3=CC=CC=C23)C=C1,"InChI=1S/C13H10O/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8,14H,7H2",PVUBSZGNXLNTLX,UHFFFAOYSA,N,3-Hydroxyfluorene,PVUBSZGNXLNTLX-UHFFFAOYSA-N
HMDB59803,182.073164942,C13H10O,OC1C2=CC=CC=C2C2=CC=CC=C12,"InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H",AFMVESZOYKHDBJ,UHFFFAOYSA,N,9-Hydroxyfluorene,AFMVESZOYKHDBJ-UHFFFAOYSA-N
HMDB59804,309.084851839,C14H15NO7,O[C@@H]1[C@@H](O)[C@H](OC2=CNC3=CC=CC=C23)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1",KUYNOZVWCFXSNE,BYNIDDHOSA,N,Indoxyl glucuronide,KUYNOZVWCFXSNE-BYNIDDHOSA-N
HMDB59805,133.052763851,C8H7NO,OC1=CC=C2NC=CC2=C1,"InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H",LMIQERWZRIFWNZ,UHFFFAOYSA,N,5-Hydroxyindole,LMIQERWZRIFWNZ-UHFFFAOYSA-N
HMDB59806,270.073952802,C12H14O7,O[C@@H]1[C@@H](O)C(OC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12?/m0/s1",WVHAUDNUGBNUDZ,SDQGTYQYSA,N,Phenylglucuronide,WVHAUDNUGBNUDZ-SDQGTYQYSA-N
HMDB59808,232.021917232,C8H8O8,CC(=O)OC(=O)CC(O)(CC([O-])=O)C([O-])=O,"InChI=1S/C8H10O8/c1-4(9)16-6(12)3-8(15,7(13)14)2-5(10)11/h15H,2-3H2,1H3,(H,10,11)(H,13,14)/p-2",WWXUGNUFCNYMFK,UHFFFAOYSA,L,Acetyl citrate,WWXUGNUFCNYMFK-UHFFFAOYSA-L
HMDB59809,196.037173366,C9H8O5,OC(=O)CC(=O)OC1=CC=C(O)C=C1,"InChI=1S/C9H8O5/c10-6-1-3-7(4-2-6)14-9(13)5-8(11)12/h1-4,10H,5H2,(H,11,12)",LEOVWDSHDAVANJ,UHFFFAOYSA,N,4-Hydroxy-benzenepropanedioate,LEOVWDSHDAVANJ-UHFFFAOYSA-N
HMDB59810,106.07825032,C8H10,CC1=CC(C)=CC=C1,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR,UHFFFAOYSA,N,m-Xylene,IVSZLXZYQVIEFR-UHFFFAOYSA-N
HMDB59811,153.042593095,C7H7NO3,CC1=CC=C(O)C(=C1)[N+]([O-])=O,"InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3",SYDNSSSQVSOXTN,UHFFFAOYSA,N,2-Nitro-p-cresol,SYDNSSSQVSOXTN-UHFFFAOYSA-N
HMDB59812,134.109550448,C10H14,CCCCC1=CC=CC=C1,"InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3",OCKPCBLVNKHBMX,UHFFFAOYSA,N,Butylbenzene,OCKPCBLVNKHBMX-UHFFFAOYSA-N
HMDB59813,226.229665582,C15H30O,[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],"InChI=1S/C15H30O/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h3-14H2,1-2H3",PQYGSSYFJIJDFK,UHFFFAOYSA,N,Heptyl ketone,PQYGSSYFJIJDFK-UHFFFAOYSA-N
HMDB59814,188.104859,C9H16O4,CCOC(=O)CC(C)C(=O)OCC,"InChI=1S/C9H16O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h7H,4-6H2,1-3H3",XHLXMRJWRKQMCP,UHFFFAOYSA,N,Diethyl methylsuccinate,XHLXMRJWRKQMCP-UHFFFAOYSA-N
HMDB59815,158.057908808,C7H10O4,CCOC(=O)C1CCC(=O)O1,"InChI=1S/C7H10O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5H,2-4H2,1H3",MJQGWRVDIFBMNW,UHFFFAOYSA,N,Ethyl 5-oxotetrahydro-2-furancarboxylate,MJQGWRVDIFBMNW-UHFFFAOYSA-N
HMDB59816,182.13067982,C11H18O2,COC(=O)\C=C(/C)CCC=C(C)C,"InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8+",ACOBBFVLNKYODD,CSKARUKUSA,N,Methyl geranate,ACOBBFVLNKYODD-CSKARUKUSA-N
HMDB59817,156.115029756,C9H16O2,[H][C@@]1(C)CC(=O)O[C@]1([H])CCCC,"InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1",WNVCMFHPRIBNCW,HTQZYQBOSA,N,(Z)-Oak lactone,WNVCMFHPRIBNCW-HTQZYQBOSA-N
HMDB59818,204.187800768,C15H24,[H][C@]1(C)CCC(=C(C)C)C11CCC(C)=CC1,"InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13H,5-6,8-10H2,1-4H3/t13-,15?/m0/s1",HMKLOOMRRZKSNM,CFMCSPIPSA,N,alpha-Alaskene,HMKLOOMRRZKSNM-CFMCSPIPSA-N
HMDB59819,120.093900384,C9H12,CCC1=C(C)C=CC=C1,"InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3",HYFLWBNQFMXCPA,UHFFFAOYSA,N,o-Ethyltoluene,HYFLWBNQFMXCPA-UHFFFAOYSA-N
HMDB59820,242.224580204,C15H30O2,[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])[H])C([H])([H])[H],"InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3",UJPPXNXOEVDSRW,UHFFFAOYSA,N,Isopropyl_laurate,UJPPXNXOEVDSRW-UHFFFAOYSA-N
HMDB59821,134.109550448,C10H14,[H]C1=C([H])C(=C([H])C(=C1[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H],"InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3",QUEBYVKXYIKVSO,UHFFFAOYSA,N,m-Propyltoluene,QUEBYVKXYIKVSO-UHFFFAOYSA-N
HMDB59822,158.13067982,C9H18O2,[H]C([H])([H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],"InChI=1S/C9H18O2/c1-4-11-9(10)7-5-6-8(2)3/h8H,4-7H2,1-3H3",VUOGVGBBHBPFGM,UHFFFAOYSA,N,Ethyl 5-methylhexanoate,VUOGVGBBHBPFGM-UHFFFAOYSA-N
HMDB59823,134.109550448,C10H14,[H]C1=C([H])C(=C(C(=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],"InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3",UOHMMEJUHBCKEE,UHFFFAOYSA,N,Prehnitene,UOHMMEJUHBCKEE-UHFFFAOYSA-N
HMDB59824,150.068079564,C9H10O2,[H]OC1=C(C([H])=C(C([H])=C1[H])C(=O)C([H])([H])[H])C([H])([H])[H],"InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3",LXBHHIZIQVZGFN,UHFFFAOYSA,N,4-Hydroxy-3-methylacetophenone,LXBHHIZIQVZGFN-UHFFFAOYSA-N
HMDB59825,160.109944378,C8H16O3,CC(C)CCOC(=O)C(C)O,"InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3",CRORGGSWAKIXSA,UHFFFAOYSA,N,Isoamyl lactate,CRORGGSWAKIXSA-UHFFFAOYSA-N
HMDB59826,174.140850576,C13H18,CC1=CC=C2C(CCCC2(C)C)=C1,"InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3",LTMQZVLXCLQPCT,UHFFFAOYSA,N,alpha-Ionene,LTMQZVLXCLQPCT-UHFFFAOYSA-N
HMDB59827,152.120115134,C10H16O,CC1=C(C)CC(C)(CC1)C=O,"InChI=1S/C10H16O/c1-8-4-5-10(3,7-11)6-9(8)2/h7H,4-6H2,1-3H3",HPPUQZZCHCEJEW,UHFFFAOYSA,N,"3-Cyclohexene-1-carboxaldehyde, 1,3,4-trimethyl-",HPPUQZZCHCEJEW-UHFFFAOYSA-N
HMDB59828,140.120115134,C9H16O,[H]\C(CC)=C(\[H])C(=O)CCCC,"InChI=1S/C9H16O/c1-3-5-7-9(10)8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+",FRMKAKWKXLDSSR,FNORWQNLSA,N,3-Nonen-5-one,FRMKAKWKXLDSSR-FNORWQNLSA-N
HMDB59829,200.15650064,C15H20,CC1(C)C2CC3(C=C2)C1=CC=CC3(C)C,"InChI=1S/C15H20/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-9,11H,10H2,1-4H3",MOLSSUUBCUMURN,UHFFFAOYSA,N,"Isolongifolene, 4,5,9,10-dehydro-",MOLSSUUBCUMURN-UHFFFAOYSA-N
HMDB59830,240.281701152,C17H36,CCCCCCCCCCCCCCCCC,"InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3",NDJKXXJCMXVBJW,UHFFFAOYSA,N,Heptadecane,NDJKXXJCMXVBJW-UHFFFAOYSA-N
HMDB59831,186.161979948,C11H22O2,CCCCCCCC(=O)OCCC,"InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3",IDHBLVYDNJDWNO,UHFFFAOYSA,N,Propyl octanoate,IDHBLVYDNJDWNO-UHFFFAOYSA-N
HMDB59832,134.109550448,C10H14,CCC1=CC(C)=C(C)C=C1,"InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3",SBUYFICWQNHBCM,UHFFFAOYSA,N,4-Ethyl-o-xylene,SBUYFICWQNHBCM-UHFFFAOYSA-N
HMDB59833,242.224580204,C15H30O2,[H]C([H])([H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],"InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h3-14H2,1-2H3",QJYYMNOTJXIOBP,UHFFFAOYSA,N,Ethyl tridecanoate,QJYYMNOTJXIOBP-UHFFFAOYSA-N
HMDB59834,148.125200512,C11H16,CCCCCC1=CC=CC=C1,"InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3",PWATWSYOIIXYMA,UHFFFAOYSA,N,Pentylbenzene,PWATWSYOIIXYMA-UHFFFAOYSA-N
HMDB59835,142.135765198,C9H18O,CCCCCCCCC=O,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",GYHFUZHODSMOHU,UHFFFAOYSA,N,Nonanal,GYHFUZHODSMOHU-UHFFFAOYSA-N
HMDB59836,220.18271539,C15H24O,[H][C@@]12C[C@@](C)(OC(C)(C)[C@]1([H])CCC(C)=C2)C=C,"InChI=1S/C15H24O/c1-6-15(5)10-12-9-11(2)7-8-13(12)14(3,4)16-15/h6,9,12-13H,1,7-8,10H2,2-5H3/t12-,13-,15+/m1/s1",NIGRJVWIKNICMW,NFAWXSAZSA,N,Cabreuva oxide D,NIGRJVWIKNICMW-NFAWXSAZSA-N
HMDB59837,118.07825032,C9H10,C1CC2=CC=CC=C2C1,"InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2",PQNFLJBBNBOBRQ,UHFFFAOYSA,N,Indane,PQNFLJBBNBOBRQ-UHFFFAOYSA-N
HMDB59838,152.120115134,C10H16O,[H][C@@]12CC[C@@](C)(C(=O)C1)C2(C)C,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",DSSYKIVIOFKYAU,XCBNKYQSSA,N,Camphor,DSSYKIVIOFKYAU-XCBNKYQSSA-N
HMDB59839,136.125200515,C10H16,CC1(C)C2CCC(C2)C1=C,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",CRPUJAZIXJMDBK,UHFFFAOYSA,N,Camphene,CRPUJAZIXJMDBK-UHFFFAOYSA-N
HMDB59840,156.115029756,C9H16O2,[H]\C(CCCC)=C(\[H])C(=O)OCC,"InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h7-8H,3-6H2,1-2H3/b8-7+",CYLQPOIZDBIXFP,BQYQJAHWSA,N,(E)-2-Ethyl heptenoate,CYLQPOIZDBIXFP-BQYQJAHWSA-N
HMDB59841,222.198365454,C15H26O,[H][C@@]1(C)CC[C@@]([H])(C(C)C)[C@]2([H])C=C(C)CC[C@@]12O,"InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m1/s1",COGPRPSWSKLKTF,CBBWQLFWSA,N,Cubenol,COGPRPSWSKLKTF-CBBWQLFWSA-N
HMDB59842,146.094294314,C7H14O3,CCOC(=O)C(O)C(C)C,"InChI=1S/C7H14O3/c1-4-10-7(9)6(8)5(2)3/h5-6,8H,4H2,1-3H3",IZRVEUZYBVGCFC,UHFFFAOYSA,N,Ethyl 2-hydroxyisovalerate,IZRVEUZYBVGCFC-UHFFFAOYSA-N
HMDB59843,88.034670946,C4H8S,[H]\C(SC([H])([H])[H])=C(\[H])C([H])([H])[H],"InChI=1S/C4H8S/c1-3-4-5-2/h3-4H,1-2H3/b4-3+",YJOGCMRDEUBRJD,ONEGZZNKSA,N,(1E)-1-(methylthio)prop-1-ene,YJOGCMRDEUBRJD-ONEGZZNKSA-N
HMDB59844,118.062994186,C5H10O3,[H]C([H])([H])C([H])([H])OC(=O)OC([H])([H])C([H])([H])[H],"InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3",OIFBSDVPJOWBCH,UHFFFAOYSA,N,Diethyl carbonate,OIFBSDVPJOWBCH-UHFFFAOYSA-N
HMDB59845,148.088815006,C10H12O,CCC1=CC=C(C=C1)C(C)=O,"InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3",NODGRWCMFMEGJH,UHFFFAOYSA,N,p-Ethylacetophenone,NODGRWCMFMEGJH-UHFFFAOYSA-N
HMDB59846,151.063328537,C8H9NO2,CCOC(=O)C1=CN=CC=C1,"InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3",XBLVHTDFJBKJLG,UHFFFAOYSA,N,Ethyl nicotinate,XBLVHTDFJBKJLG-UHFFFAOYSA-N
HMDB59847,132.057514878,C9H8O,[H]C1=C(OC2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H],"InChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3",GBGPVUAOTCNZPT,UHFFFAOYSA,N,2-Methylcumarone,GBGPVUAOTCNZPT-UHFFFAOYSA-N
HMDB59848,120.093900384,C9H12,[H]C1=C([H])C(=C([H])C(=C1[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],"InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3",ZLCSFXXPPANWQY,UHFFFAOYSA,N,m-Ethyl_toluene,ZLCSFXXPPANWQY-UHFFFAOYSA-N
HMDB59849,222.198365454,C15H26O,CC(C)=CCC\C(C)=C\CC\C(C)=C/CO,"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-",CRDAMVZIKSXKFV,PVMFERMNSA,N,(Z)-Farnesol,CRDAMVZIKSXKFV-PVMFERMNSA-N
HMDB59850,244.203844762,C14H28O3,CCCCCCCCCC(O)CC(=O)OCC,"InChI=1S/C14H28O3/c1-3-5-6-7-8-9-10-11-13(15)12-14(16)17-4-2/h13,15H,3-12H2,1-2H3",CQLRIUYMQWJYSR,UHFFFAOYSA,N,Ethyl 3-hydroxydodecanoate,CQLRIUYMQWJYSR-UHFFFAOYSA-N
HMDB59851,106.07825032,C8H10,CC1=CC=CC=C1C,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN,UHFFFAOYSA,N,o-Xylene,CTQNGGLPUBDAKN-UHFFFAOYSA-N
HMDB59852,170.13067982,C10H18O2,CC1(C)OC2(C)CCC1CC2O,"InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3",YVCUGZBVCHODNB,UHFFFAOYSA,N,2-Hydroxycineol,YVCUGZBVCHODNB-UHFFFAOYSA-N
HMDB59853,152.083729628,C9H12O2,[H]C1=C(OC([H])([H])[H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])([H])[H],"InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3",RIZBLVRXRWHLFA,UHFFFAOYSA,N,"3,5-Dimethoxytoluene",RIZBLVRXRWHLFA-UHFFFAOYSA-N
HMDB59854,156.093900384,C12H12,[H]C1=C([H])C(=C2C([H])=C(C([H])=C([H])C2=C1[H])C([H])([H])[H])C([H])([H])[H],"InChI=1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3",SPUWFVKLHHEKGV,UHFFFAOYSA,N,"1,7-Dimethylnaphthalene",SPUWFVKLHHEKGV-UHFFFAOYSA-N
HMDB59855,145.969005542,C6H4Cl2,ClC1=CC(Cl)=CC=C1,InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H,ZPQOPVIELGIULI,UHFFFAOYSA,N,m-Dichlorobenzene,ZPQOPVIELGIULI-UHFFFAOYSA-N
HMDB59856,139.063328537,C7H9NO2,CCOC(=O)C1=CC=CN1,"InChI=1S/C7H9NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3",PAEYAKGINDQUCT,UHFFFAOYSA,N,Ethyl 2-pyrrolecarboxylate,PAEYAKGINDQUCT-UHFFFAOYSA-N
HMDB59857,202.172150704,C15H22,[H][C@@]1(C)CC=CC2=CCC(C[C@@]12C)=C(C)C,"InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12H,6,8,10H2,1-4H3/t12-,15+/m1/s1",QSUQBXKPPUWLTH,DOMZBBRYSA,N,beta-Vetivenene,QSUQBXKPPUWLTH-DOMZBBRYSA-N
HMDB59858,200.15650064,C15H20,CC(C)C1CCC(=C)C2=C1C=C(C)C=C2,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,13H,4,6,8H2,1-3H3",KFYISTOZYAKAPV,UHFFFAOYSA,N,beta-Calacorene,KFYISTOZYAKAPV-UHFFFAOYSA-N
HMDB59859,130.135765198,C8H18O,CCC(CCO)C(C)C,"InChI=1S/C8H18O/c1-4-8(5-6-9)7(2)3/h7-9H,4-6H2,1-3H3",RWIFVESHBHTZEM,UHFFFAOYSA,N,(S)-3-Ethyl-4-methylpentanol,RWIFVESHBHTZEM-UHFFFAOYSA-N
HMDB59860,186.161979948,C11H22O2,CCCCCC(=O)OCC(C)CC,"InChI=1S/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3",ZWMQVDONBUJJLL,UHFFFAOYSA,N,2-Methylbutyl hexanoate,ZWMQVDONBUJJLL-UHFFFAOYSA-N
HMDB59861,156.151415262,C10H20O,[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])[H],"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h2,11H,1,3-10H2",QGFSQVPRCWJZQK,UHFFFAOYSA,N,9-Decenol,QGFSQVPRCWJZQK-UHFFFAOYSA-N
HMDB59862,140.047344122,C7H8O3,[H]C1=C([H])C([H])=C(O1)C(=O)OC([H])([H])C([H])([H])[H],"InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3",NHXSTXWKZVAVOQ,UHFFFAOYSA,N,Ethyl furoate,NHXSTXWKZVAVOQ-UHFFFAOYSA-N
HMDB59863,216.151415262,C15H20O,[H][C@@]12CC[C@](C)(OC1(C)C)C1=C2C=C(C)C=C1,"InChI=1S/C15H20O/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3/t12-,15-/m0/s1",RWNMGACJGXHHHN,WFASDCNBSA,N,"1,10-Oxidocalamenene",RWNMGACJGXHHHN-WFASDCNBSA-N
HMDB59864,154.135765198,C10H18O,CC(C)C1CCC(C)CC1=O,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",NFLGAXVYCFJBMK,UHFFFAOYSA,N,Isomenthone,NFLGAXVYCFJBMK-UHFFFAOYSA-N
HMDB59865,228.20893014,C14H28O2,[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],"InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3",AXTPGRJJIGEOOY,UHFFFAOYSA,N,Isobutyl decanoate,AXTPGRJJIGEOOY-UHFFFAOYSA-N
HMDB59866,258.219494826,C15H30O3,CCCCCCCCCCC(O)CC(=O)OCC,"InChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-12-14(16)13-15(17)18-4-2/h14,16H,3-13H2,1-2H3",LOFDGMSAUOHYLH,UHFFFAOYSA,N,Ethyl 3-hydroxytridecanoate,LOFDGMSAUOHYLH-UHFFFAOYSA-N
HMDB59867,160.109944378,C8H16O3,CCOC(=O)C(O)CC(C)C,"InChI=1S/C8H16O3/c1-4-11-8(10)7(9)5-6(2)3/h6-7,9H,4-5H2,1-3H3",QRHOWVDPHIXNEN,UHFFFAOYSA,N,Ethyl 2-hydroxy-4-methylpentanoate,QRHOWVDPHIXNEN-UHFFFAOYSA-N
HMDB59868,200.177630012,C12H24O2,[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],"InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3",CFQRBRGFNFRMBD,UHFFFAOYSA,N,Isobutyl octanoate,CFQRBRGFNFRMBD-UHFFFAOYSA-N
HMDB59869,154.135765198,C10H18O,[H]C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C1([H])[H],"InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3",YKFKEYKJGVSEIX,UHFFFAOYSA,N,p-tert-Butylcyclohexanone,YKFKEYKJGVSEIX-UHFFFAOYSA-N
HMDB59870,270.255880332,C17H34O2,CCCCCCCCCCCCCCC(=O)OCC,"InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h3-16H2,1-2H3",PTEYJUIKYIKULL,UHFFFAOYSA,N,Ethyl pentadecanoate,PTEYJUIKYIKULL-UHFFFAOYSA-N
HMDB59871,282.255880332,C18H34O2,CCCCCC\C=C\CCCCCCCC(=O)OCC,"InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h9-10H,3-8,11-17H2,1-2H3/b10-9+",JELGPLUONQGOHF,MDZDMXLPSA,N,Ethyl 9-hexadecenoate,JELGPLUONQGOHF-MDZDMXLPSA-N
HMDB59873,122.073164942,C8H10O,CCC1=CC(O)=CC=C1,"InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3",HMNKTRSOROOSPP,UHFFFAOYSA,N,3-Ethylphenol,HMNKTRSOROOSPP-UHFFFAOYSA-N
HMDB59874,168.187800768,C12H24,CCCCCCCCCCC=C,"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3",CRSBERNSMYQZNG,UHFFFAOYSA,N,1-Dodecene,CRSBERNSMYQZNG-UHFFFAOYSA-N
HMDB59875,152.120115134,C10H16O,[H][C@@]1(CC=C(C)C(=O)C1)C(C)C,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m0/s1",WPGPCDVQHXOMQP,VIFPVBQESA,N,Carvotanacetone,WPGPCDVQHXOMQP-VIFPVBQESA-N
HMDB59876,130.062994186,C6H10O3,CC1(C)COC(=O)C1O,"InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3",SERHXTVXHNVDKA,UHFFFAOYSA,N,Pantolactone,SERHXTVXHNVDKA-UHFFFAOYSA-N
HMDB59877,120.093900384,C9H12,CCCC1=CC=CC=C1,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",ODLMAHJVESYWTB,UHFFFAOYSA,N,Propylbenzene,ODLMAHJVESYWTB-UHFFFAOYSA-N
HMDB59878,202.172150708,C15H22,CC(CCC=C(C)C)C1=CC=C(C)C=C1,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",VMYXUZSZMNBRCN,UHFFFAOYSA,N,alpha-Curcumene,VMYXUZSZMNBRCN-UHFFFAOYSA-N
HMDB59879,188.104859,C9H16O4,[H]C([H])([H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[H],"InChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3",OUWSNHWQZPEFEX,UHFFFAOYSA,N,Diethyl glutarate,OUWSNHWQZPEFEX-UHFFFAOYSA-N
HMDB59880,140.047344122,C7H8O3,[H]C1=C([H])C(=C([H])O1)C(=O)OC([H])([H])C([H])([H])[H],"InChI=1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3",LOFDXZJSDVCYAS,UHFFFAOYSA,N,Ethyl 3-furoate,LOFDXZJSDVCYAS-UHFFFAOYSA-N
HMDB59881,154.135765198,C10H18O,CC(C=C)=CCCC(C)(C)O,"InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3",IJFKZRMIRAVXRK,UHFFFAOYSA,N,Ocimenol,IJFKZRMIRAVXRK-UHFFFAOYSA-N
HMDB59882,126.023627931,C7H7Cl,ClCC1=CC=CC=C1,"InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",KCXMKQUNVWSEMD,UHFFFAOYSA,N,Benzyl chloride,KCXMKQUNVWSEMD-UHFFFAOYSA-N
HMDB59883,192.151415262,C13H20O,CC(=O)\C=C\C1C(C)=CCCC1(C)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+",UZFLPKAIBPNNCA,BQYQJAHWSA,N,alpha-Ionone,UZFLPKAIBPNNCA-BQYQJAHWSA-N
HMDB59884,136.125200512,C10H16,CC1=CC2C(CC1)C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3",IBVJWOMJGCHRRW,UHFFFAOYSA,N,2-Carene,IBVJWOMJGCHRRW-UHFFFAOYSA-N
HMDB59885,152.120115134,C10H16O,CC(C=O)C1CCC(C)=CC1,"InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3",UMEJBWOWZDRULR,UHFFFAOYSA,N,p-Menth-1-en-9-al,UMEJBWOWZDRULR-UHFFFAOYSA-N
HMDB59886,212.250401024,C15H32,CCCCCCCCCCCCCCC,"InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3",YCOZIPAWZNQLMR,UHFFFAOYSA,N,Pentadecane,YCOZIPAWZNQLMR-UHFFFAOYSA-N
HMDB59887,142.135765198,C9H18O,[H]\C(CC)=C(\[H])CCCCCO,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h3-4,10H,2,5-9H2,1H3/b4-3+",XJHRZBIBSSVCEL,ONEGZZNKSA,N,(E)-6-Nonenol,XJHRZBIBSSVCEL-ONEGZZNKSA-N
HMDB59888,170.203450832,C12H26,[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],"InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3",GTJOHISYCKPIMT,UHFFFAOYSA,N,2-Methylundecane,GTJOHISYCKPIMT-UHFFFAOYSA-N
HMDB59889,102.10446507,C6H14O,CC(C)CCCO,"InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3",PCWGTDULNUVNBN,UHFFFAOYSA,N,Isohexanol,PCWGTDULNUVNBN-UHFFFAOYSA-N
HMDB59890,134.109550448,C10H14,[H]C1=C([H])C(=C(C([H])=C1C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],"InChI=1S/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3",AXIUBBVSOWPLDA,UHFFFAOYSA,N,2-Ethyl-p-xylene,AXIUBBVSOWPLDA-UHFFFAOYSA-N
HMDB59891,182.094294314,C10H14O3,[H]C1=C([H])C([H])=C(O1)C(=O)OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],"InChI=1S/C10H14O3/c1-8(2)5-7-13-10(11)9-4-3-6-12-9/h3-4,6,8H,5,7H2,1-2H3",FPBZWZKAUPNMMV,UHFFFAOYSA,N,Isoamyl 2-furoate,FPBZWZKAUPNMMV-UHFFFAOYSA-N
HMDB59892,141.061220047,C7H11NS,[H]C1([H])C([H])([H])C([H])([H])C([H])(N=C=S)C([H])([H])C1([H])[H],"InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2",MZSJGCPBOVTKHR,UHFFFAOYSA,N,Isothiocyanatocyclohexane,MZSJGCPBOVTKHR-UHFFFAOYSA-N
HMDB59893,160.073558872,C7H12O4,[H]C([H])([H])OC(=O)C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[H],"InChI=1S/C7H12O4/c1-3-11-7(9)5-4-6(8)10-2/h3-5H2,1-2H3",HXXRQBBSGZDQNP,UHFFFAOYSA,N,Ethyl methyl_succinate,HXXRQBBSGZDQNP-UHFFFAOYSA-N
HMDB59894,156.115029756,C9H16O2,[H][C@@]1(C)CC(=O)O[C@]1([H])CCCC,"InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1",WNVCMFHPRIBNCW,HTQZYQBOSA,N,(E)-Oak lactone,WNVCMFHPRIBNCW-HTQZYQBOSA-N
HMDB59895,134.073164942,C9H10O,CC(=O)C1=CC=CC(C)=C1,"InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3",FSPSELPMWGWDRY,UHFFFAOYSA,N,m-Methylacetophenone,FSPSELPMWGWDRY-UHFFFAOYSA-N
HMDB59896,136.088815006,C9H12O,[H]OC1=C(C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])[H])C([H])([H])[H],"InChI=1S/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3",CIRRFAQIWQFQSS,UHFFFAOYSA,N,6-Ethyl-o-cresol,CIRRFAQIWQFQSS-UHFFFAOYSA-N
HMDB59897,146.073164942,C10H10O,[H]C1=C([H])C2=C(C([H])=C([H])C(=C2O1)C([H])([H])[H])C([H])([H])[H],"InChI=1S/C10H10O/c1-7-3-4-8(2)10-9(7)5-6-11-10/h3-6H,1-2H3",PFXVPEGRXODMIQ,UHFFFAOYSA,N,"Benzofuran, 4,7-dimethyl-",PFXVPEGRXODMIQ-UHFFFAOYSA-N
HMDB59898,194.094294314,C11H14O3,[H]C1=C([H])C(=C([H])C([H])=C1OC([H])([H])C([H])([H])[H])C(=O)OC([H])([H])C([H])([H])[H],"InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3",HRAQMGWTPNOILP,UHFFFAOYSA,N,Ethyl 4-ethoxybenzoate,HRAQMGWTPNOILP-UHFFFAOYSA-N
HMDB59899,118.07825032,C9H10,CC(=C)C1=CC=CC=C1,"InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3",XYLMUPLGERFSHI,UHFFFAOYSA,N,alpha-Methylstyrene,XYLMUPLGERFSHI-UHFFFAOYSA-N
HMDB59900,214.193280076,C13H26O2,CCCCCCCCCC(=O)OCCC,"InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3",OVFMRFMJVFDSAA,UHFFFAOYSA,N,Propyl decanoate,OVFMRFMJVFDSAA-UHFFFAOYSA-N
HMDB59901,120.093900384,C9H12,CC1=CC=CC(C)=C1C,"InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3",FYGHSUNMUKGBRK,UHFFFAOYSA,N,Hemimellitene,FYGHSUNMUKGBRK-UHFFFAOYSA-N
HMDB59902,212.15650064,C16H20,[H]C1=C([H])C(=C([H])C2=C1C([H])=C(C([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],"InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3",GWLLTEXUIOFAFE,UHFFFAOYSA,N,"2,6-Diisopropylnaphthalene",GWLLTEXUIOFAFE-UHFFFAOYSA-N
HMDB59903,205.813353033,CHBr2Cl,ClC(Br)Br,InChI=1S/CHBr2Cl/c2-1(3)4/h1H,GATVIKZLVQHOMN,UHFFFAOYSA,N,Dibromochloromethane,GATVIKZLVQHOMN-UHFFFAOYSA-N
HMDB59904,190.135765198,C13H18O,[H]\C(=C(\[H])C1=C(C)C=CCC1(C)C)C(C)=O,"InChI=1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3/b8-7+",UWWCASOGCPOGJP,BQYQJAHWSA,N,dehydro-beta-Ionone,UWWCASOGCPOGJP-BQYQJAHWSA-N
HMDB59905,106.07825032,C8H10,CCC1=CC=CC=C1,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ,UHFFFAOYSA,N,Ethylbenzene,YNQLUTRBYVCPMQ-UHFFFAOYSA-N
HMDB59906,190.135765198,C13H18O,[H]\C(C=C)=C(\[H])C1C(C)=CC(=O)CC1(C)C,"InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8,12H,1,9H2,2-4H3/b7-6+",YKVWPZJHENXDAJ,VOTSOKGWSA,N,Megastigmatrienone,YKVWPZJHENXDAJ-VOTSOKGWSA-N
HMDB59907,198.23475096,C14H30,CCCCCCCCCCCCCC,"InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3",BGHCVCJVXZWKCC,UHFFFAOYSA,N,Tetradecane,BGHCVCJVXZWKCC-UHFFFAOYSA-N
HMDB59908,142.099379692,C8H14O2,CCOC(=O)CC=CCC,"InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3",VTSFIPHRNAESED,UHFFFAOYSA,N,Ethyl-3-hexanoate,VTSFIPHRNAESED-UHFFFAOYSA-N
HMDB59909,282.328651344,C20H42,CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",CBFCDTFDPHXCNY,UHFFFAOYSA,N,Eicosane,CBFCDTFDPHXCNY-UHFFFAOYSA-N
HMDB59910,202.172150704,C15H22,CC(C)C1CCC(C)C2=CC=C(C)C=C12,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",PGTJIOWQJWHTJJ,UHFFFAOYSA,N,(E)-Calamene,PGTJIOWQJWHTJJ-UHFFFAOYSA-N
HMDB59911,231.020143093,C8H9NO5S,CC(=O)NC1=CC=C(OS(O)(=O)=O)C=C1,"InChI=1S/C8H9NO5S/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)",IGTYILLPRJOVFY,UHFFFAOYSA,N,Paracetamol sulfate,IGTYILLPRJOVFY-UHFFFAOYSA-N
HMDB59912,421.987856686,C16H10N2O8S2,OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1,"InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/b14-13+",CFZXDJWFRVEWSR,BUHFOSPRSA,N,Indigo Carmine,CFZXDJWFRVEWSR-BUHFOSPRSA-N
HMDB59913,328.051777572,C16H12N2O4S,OS(=O)(=O)C1=CC=C2C(C=CC(=O)\C2=N\NC2=CC=CC=C2)=C1,"InChI=1S/C16H12N2O4S/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12/h1-10,17H,(H,20,21,22)/b18-16+",RWZPEBJPWGVNIQ,FBMGVBCBSA,N,"(5E)-6-Oxo-5-(phenylhydrazono)-5,6-dihydro-2-naphthalenesulfonic acid",RWZPEBJPWGVNIQ-FBMGVBCBSA-N
HMDB59914,468.004569382,C16H12N4O9S2,OC(=O)C1=NN(C(O)=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)C1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29)/b18-17+",KPIQXPLWZCDIHI,ISLYRVAYSA,N,5-Hydroxy-1-(4-sulfophenyl)-4-[(E)-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylic acid,KPIQXPLWZCDIHI-ISLYRVAYSA-N
HMDB59915,326.191565516,C18H30O3S,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ,UHFFFAOYSA,N,4-Dodecylbenzenesulfonic Acid,KWXICGTUELOLSQ-UHFFFAOYSA-N
HMDB59916,150.016437924,C4H6O6,OC(C(O)C(O)=O)C(O)=O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)",FEWJPZIEWOKRBE,UHFFFAOYSA,N,"2,3-Dihydroxybutanedioic acid",FEWJPZIEWOKRBE-UHFFFAOYSA-N
HMDB59917,211.957031026,C4H8N2S4,SC(S)=NCCN=C(S)S,"InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10)",AWYFNIZYMPNGAI,UHFFFAOYSA,N,"1,2-Ethanediyldicarbamodithioic acid",AWYFNIZYMPNGAI-UHFFFAOYSA-N
HMDB59918,162.089208936,C7H14O4,CCOC(C)OC(C)C(O)=O,"InChI=1S/C7H14O4/c1-4-10-6(3)11-5(2)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)",FRGRNGNKLISCCU,UHFFFAOYSA,N,2-(1-Ethoxyethoxy)propanoic acid,FRGRNGNKLISCCU-UHFFFAOYSA-N
HMDB59919,129.939449932,H2O4S2,OS(=O)S(O)=O,"InChI=1S/H2O4S2/c1-5(2)6(3)4/h(H,1,2)(H,3,4)",GRWZHXKQBITJKP,UHFFFAOYSA,N,Dithionous acid,GRWZHXKQBITJKP-UHFFFAOYSA-N
HMDB59920,193.91910842,H2O8S2,OS(=O)(=O)OOS(O)(=O)=O,"InChI=1S/H2O8S2/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)",JRKICGRDRMAZLK,UHFFFAOYSA,N,Peroxydisulfuric acid,JRKICGRDRMAZLK-UHFFFAOYSA-N
HMDB59921,239.89899123,H3O9P3,OP1(=O)OP(O)(=O)OP(O)(=O)O1,"InChI=1S/H3O9P3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h(H,1,2)(H,3,4)(H,5,6)",AZSFNUJOCKMOGB,UHFFFAOYSA,N,Trimetaphosphoric acid,AZSFNUJOCKMOGB-UHFFFAOYSA-N
HMDB59922,516.272318256,C29H40O8,C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)\C=C\C(O)=O)=C/CC\C(C)=C\COC(=O)C(\C)=C\C(O)=O,"InChI=1S/C29H40O8/c1-21(11-7-13-23(3)17-18-36-29(35)25(5)19-27(32)33)9-6-10-22(2)12-8-14-24(4)20-37-28(34)16-15-26(30)31/h10-11,14-17,19H,6-9,12-13,18,20H2,1-5H3,(H,30,31)(H,32,33)/b16-15+,21-11+,22-10+,23-17+,24-14+,25-19+",XSSLCSITZPSKDA,QMZNXXBRSA,N,Cavipetin E isomer 1,XSSLCSITZPSKDA-QMZNXXBRSA-N
HMDB59923,516.272318256,C29H40O8,C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)C(\C)=C\C(O)=O)=C/CC\C(C)=C\COC(=O)\C=C\C(O)=O,"InChI=1S/C29H40O8/c1-21(11-7-13-23(3)17-18-36-28(34)16-15-26(30)31)9-6-10-22(2)12-8-14-24(4)20-37-29(35)25(5)19-27(32)33/h10-11,14-17,19H,6-9,12-13,18,20H2,1-5H3,(H,30,31)(H,32,33)/b16-15+,21-11+,22-10+,23-17+,24-14+,25-19+",REHXFQPEMHVKED,QMZNXXBRSA,N,Cavipetin E isomer 2,REHXFQPEMHVKED-QMZNXXBRSA-N
HMDB59924,106.07825032,C8H10,CC1=CC=C(C)C=C1,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO,UHFFFAOYSA,N,p-Xylene,URLKBWYHVLBVBO-UHFFFAOYSA-N
HMDB59925,180.115029756,C11H16O2,COC1=CC(=C(O)C=C1)C(C)(C)C,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",MRBKEAMVRSLQPH,UHFFFAOYSA,N,3-tert-Butyl-4-hydroxyanisole,MRBKEAMVRSLQPH-UHFFFAOYSA-N
HMDB59926,180.115029756,C11H16O2,COC1=C(C=C(O)C=C1)C(C)(C)C,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3",IMOYOUMVYICGCA,UHFFFAOYSA,N,2-tert-Butyl-4-hydroxyanisole,IMOYOUMVYICGCA-UHFFFAOYSA-N
HMDB59927,190.047738052,C7H10O6,CC(=O)CC(O)(CC(O)=O)C(O)=O,"InChI=1S/C7H10O6/c1-4(8)2-7(13,6(11)12)3-5(9)10/h13H,2-3H2,1H3,(H,9,10)(H,11,12)",FBBVDCTXVFGXRW,UHFFFAOYSA,N,2-Hydroxy-2-(2-oxopropyl)butanedioic acid,FBBVDCTXVFGXRW-UHFFFAOYSA-N
HMDB59928,428.350174646,C25H48O5,CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(C)=O,"InChI=1S/C25H48O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(28)30-22-24(27)21-29-23(2)26/h24,27H,3-22H2,1-2H3",BTMNZFJQAYHOPN,UHFFFAOYSA,N,3-(Acetyloxy)-2-hydroxypropyl icosanoate,BTMNZFJQAYHOPN-UHFFFAOYSA-N
HMDB59929,400.318874518,C23H44O5,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(C)=O,"InChI=1S/C23H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)28-20-22(25)19-27-21(2)24/h22,25H,3-20H2,1-2H3",RGGBUUSHDAWGIN,UHFFFAOYSA,N,3-(Acetyloxy)-2-hydroxypropyl octadecanoate,RGGBUUSHDAWGIN-UHFFFAOYSA-N
HMDB59930,470.360739332,C27H50O6,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O,"InChI=1S/C27H50O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)32-23-26(33-25(3)29)22-31-24(2)28/h26H,4-23H2,1-3H3",LXMJDNTZSSFUNW,UHFFFAOYSA,N,"2,3-bis(Acetyloxy)propyl icosanoate",LXMJDNTZSSFUNW-UHFFFAOYSA-N
HMDB59931,442.329439204,C25H46O6,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O,"InChI=1S/C25H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h24H,4-21H2,1-3H3",WSYNAKWAAXYNMW,UHFFFAOYSA,N,"2,3-Diacetoxypropyl stearate",WSYNAKWAAXYNMW-UHFFFAOYSA-N
HMDB59932,206.042652674,C7H10O7,OC(=O)CC(O)(CC(O)=O)CC(O)=O,"InChI=1S/C7H10O7/c8-4(9)1-7(14,2-5(10)11)3-6(12)13/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)",CQOIYSASVHVTBU,UHFFFAOYSA,N,3-(Carboxymethyl)-3-hydroxypentanedioic acid,CQOIYSASVHVTBU-UHFFFAOYSA-N
HMDB59933,172.019414812,C7H8O3S,CC1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)",JOXIMZWYDAKGHI,UHFFFAOYSA,N,p-Toluenesulfonic acid,JOXIMZWYDAKGHI-UHFFFAOYSA-N
HMDB59934,165.078978601,C9H11NO2,NCC(=O)OCC1=CC=CC=C1,"InChI=1S/C9H11NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2",JXYACYYPACQCDM,UHFFFAOYSA,N,Benzyl glycinate,JXYACYYPACQCDM-UHFFFAOYSA-N
HMDB59935,1314.433152126,C48H82O41,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C48H82O41/c49-1-9-17(57)18(58)27(67)42(76-9)84-35-11(3-51)78-44(29(69)20(35)60)86-37-13(5-53)80-46(31(71)22(37)62)88-39-15(7-55)82-48(33(73)24(39)64)89-40-16(8-56)81-47(32(72)25(40)65)87-38-14(6-54)79-45(30(70)23(38)63)85-36-12(4-52)77-43(28(68)21(36)61)83-34-10(2-50)75-41(74)26(66)19(34)59/h9-74H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-/m1/s1",RUJILUJOOCOSRO,WJMYNTJYSA,N,Maltooctaose,RUJILUJOOCOSRO-WJMYNTJYSA-N
HMDB59936,172.109944378,C9H16O3,CCCCCC1COC(=O)CO1,"InChI=1S/C9H16O3/c1-2-3-4-5-8-6-12-9(10)7-11-8/h8H,2-7H2,1H3",AYJJZBHSZOCJJX,UHFFFAOYSA,N,"5-Pentyl-1,4-dioxan-2-one",AYJJZBHSZOCJJX-UHFFFAOYSA-N
HMDB59937,172.109944378,C9H16O3,CCCCCC1COCC(=O)O1,"InChI=1S/C9H16O3/c1-2-3-4-5-8-6-11-7-9(10)12-8/h8H,2-7H2,1H3",XTANXEGVDAOPFW,UHFFFAOYSA,N,"6-Pentyl-1,4-dioxan-2-one",XTANXEGVDAOPFW-UHFFFAOYSA-N
HMDB59938,158.094294314,C8H14O3,CCCCC1COC(=O)CO1,"InChI=1S/C8H14O3/c1-2-3-4-7-5-11-8(9)6-10-7/h7H,2-6H2,1H3",DVBUFRRUKPQWBU,UHFFFAOYSA,N,"5-Butyl-1,4-dioxan-2-one",DVBUFRRUKPQWBU-UHFFFAOYSA-N
HMDB59939,158.094294314,C8H14O3,CCCCC1COCC(=O)O1,"InChI=1S/C8H14O3/c1-2-3-4-7-5-10-6-8(9)11-7/h7H,2-6H2,1H3",XTCQDNHLNWLJMO,UHFFFAOYSA,N,"6-Butyl-1,4-dioxan-2-one",XTCQDNHLNWLJMO-UHFFFAOYSA-N
HMDB59940,194.094294314,C11H14O3,CC1=CC=CC=C1C1OCC(CO)O1,"InChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)11-13-7-9(6-12)14-11/h2-5,9,11-12H,6-7H2,1H3",SZESZZKBJJPMKG,UHFFFAOYSA,N,"[2-(2-Methylphenyl)-1,3-dioxolan-4-yl]methanol",SZESZZKBJJPMKG-UHFFFAOYSA-N
HMDB59941,194.094294314,C11H14O3,CC1=CC(=CC=C1)C1OCC(CO)O1,"InChI=1S/C11H14O3/c1-8-3-2-4-9(5-8)11-13-7-10(6-12)14-11/h2-5,10-12H,6-7H2,1H3",XLVLEVXYDLRZDW,UHFFFAOYSA,N,"[2-(3-Methylphenyl)-1,3-dioxolan-4-yl]methanol",XLVLEVXYDLRZDW-UHFFFAOYSA-N
HMDB59942,194.094294314,C11H14O3,CC1=CC=C(C=C1)C1OCC(CO)O1,"InChI=1S/C11H14O3/c1-8-2-4-9(5-3-8)11-13-7-10(6-12)14-11/h2-5,10-12H,6-7H2,1H3",DPJJKJUHERNDSZ,UHFFFAOYSA,N,"[2-(4-Methylphenyl)-1,3-dioxolan-4-yl]methanol",DPJJKJUHERNDSZ-UHFFFAOYSA-N
HMDB59943,194.094294314,C11H14O3,CC1=CC=CC=C1C1OCC(O)CO1,"InChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)11-13-6-9(12)7-14-11/h2-5,9,11-12H,6-7H2,1H3",NCMQNBRXQZBDML,UHFFFAOYSA,N,"2-(2-Methylphenyl)-1,3-dioxan-5-ol",NCMQNBRXQZBDML-UHFFFAOYSA-N
HMDB59944,194.094294314,C11H14O3,CC1=CC(=CC=C1)C1OCC(O)CO1,"InChI=1S/C11H14O3/c1-8-3-2-4-9(5-8)11-13-6-10(12)7-14-11/h2-5,10-12H,6-7H2,1H3",VJNNBKUHHBZIRK,UHFFFAOYSA,N,"2-(3-Methylphenyl)-1,3-dioxan-5-ol",VJNNBKUHHBZIRK-UHFFFAOYSA-N
HMDB59945,194.094294314,C11H14O3,CC1=CC=C(C=C1)C1OCC(O)CO1,"InChI=1S/C11H14O3/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11/h2-5,10-12H,6-7H2,1H3",IIDQVIGMKXQUDM,UHFFFAOYSA,N,"2-(4-Methylphenyl)-1,3-dioxan-5-ol",IIDQVIGMKXQUDM-UHFFFAOYSA-N
HMDB59946,258.18310932,C14H26O4,CC(O)COC(=O)OC1CC(C)CCC1C(C)C,"InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15/h9-13,15H,5-8H2,1-4H3",FLYJSXDJKBHQAU,UHFFFAOYSA,N,2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate,FLYJSXDJKBHQAU-UHFFFAOYSA-N
HMDB59947,258.18310932,C14H26O4,CC(C)C1CCC(C)CC1OC(=O)OC(C)CO,"InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15/h9-13,15H,5-8H2,1-4H3",ILYLFTONJARHOX,UHFFFAOYSA,N,1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate,ILYLFTONJARHOX-UHFFFAOYSA-N
HMDB59948,596.263484904,C34H36N4O6,CCC1=C(C)C2=N\C\1=C/C1=C(C)C(C(O)=O)=C(N1)\C(CC(O)=O)=C1/N=C(/C=C3\N/C(=C\2)C(C=C)=C3C)C(C)C1CCC(O)=O,"InChI=1S/C34H36N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21,35,38H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-,33-22-",VAJLRIOJDADNAT,XORBMCRRSA,N,Chlorin E6,VAJLRIOJDADNAT-XORBMCRRSA-N
HMDB59949,610.242749462,C34H34N4O7,CCC1=C(C=O)C2=N\C\1=C/C1=C(C)C(C(O)=O)=C(N1)\C(CC(O)=O)=C1/N=C(/C=C3\N/C(=C\2)C(C=C)=C3C)C(C)C1CCC(O)=O,"InChI=1S/C34H34N4O7/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23/h6,11-14,16,20,35,38H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)/b23-11-,24-11-,25-12-,26-13-,27-12-,28-13-,32-21-,33-21-",VMMFVPSMUQFRIC,PURUGASFSA,N,Rhodin G7,VMMFVPSMUQFRIC-PURUGASFSA-N
HMDB59950,2286.750092706,C84H142O71,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]%11[C@H](O)[C@@H](O)[C@@H](O[C@H]%12[C@H](O)[C@@H](O)[C@@H](O[C@H]%13[C@H](O)[C@@H](O)[C@@H](O[C@H]%14[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]%14CO)O[C@@H]%13CO)O[C@@H]%12CO)O[C@@H]%11CO)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C84H142O71/c85-1-15-29(99)30(100)45(115)72(130-15)144-59-17(3-87)132-74(47(117)32(59)102)146-61-19(5-89)134-76(49(119)34(61)104)148-63-21(7-91)136-78(51(121)36(63)106)150-65-23(9-93)138-80(53(123)38(65)108)152-67-25(11-95)140-82(55(125)40(67)110)154-69-27(13-97)142-84(57(127)42(69)112)155-70-28(14-98)141-83(56(126)43(70)113)153-68-26(12-96)139-81(54(124)41(68)111)151-66-24(10-94)137-79(52(122)39(66)109)149-64-22(8-92)135-77(50(120)37(64)107)147-62-20(6-90)133-75(48(118)35(62)105)145-60-18(4-88)131-73(46(116)33(60)103)143-58-16(2-86)129-71(128)44(114)31(58)101/h15-128H,1-14H2/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-/m1/s1",DTJWNPZVHSBUHS,OZUHXRPFSA,N,Maltotetradecaose,DTJWNPZVHSBUHS-OZUHXRPFSA-N
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HMDB59957,2124.697269276,C78H132O66,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]%11[C@H](O)[C@@H](O)[C@@H](O[C@H]%12[C@H](O)[C@@H](O)[C@@H](O[C@H]%13[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]%13CO)O[C@@H]%12CO)O[C@@H]%11CO)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C78H132O66/c79-1-14-27(92)28(93)42(107)67(121-14)134-55-16(3-81)123-69(44(109)30(55)95)136-57-18(5-83)125-71(46(111)32(57)97)138-59-20(7-85)127-73(48(113)34(59)99)140-61-22(9-87)129-75(50(115)36(61)101)142-63-24(11-89)131-77(52(117)38(63)103)144-65-26(13-91)132-78(53(118)40(65)105)143-64-25(12-90)130-76(51(116)39(64)104)141-62-23(10-88)128-74(49(114)37(62)102)139-60-21(8-86)126-72(47(112)35(60)100)137-58-19(6-84)124-70(45(110)33(58)98)135-56-17(4-82)122-68(43(108)31(56)96)133-54-15(2-80)120-66(119)41(106)29(54)94/h14-119H,1-13H2/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-/m1/s1",QPDCINZOSJUBQN,MFEURAGGSA,N,Maltotridecaose,QPDCINZOSJUBQN-MFEURAGGSA-N
HMDB59958,1800.591622416,C66H112O56,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]%11[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]%11CO)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C66H112O56/c67-1-12-23(78)24(79)36(91)57(103-12)114-47-14(3-69)105-59(38(93)26(47)81)116-49-16(5-71)107-61(40(95)28(49)83)118-51-18(7-73)109-63(42(97)30(51)85)120-53-20(9-75)111-65(44(99)32(53)87)122-55-22(11-77)112-66(45(100)34(55)89)121-54-21(10-76)110-64(43(98)33(54)88)119-52-19(8-74)108-62(41(96)31(52)86)117-50-17(6-72)106-60(39(94)29(50)84)115-48-15(4-70)104-58(37(92)27(48)82)113-46-13(2-68)102-56(101)35(90)25(46)80/h12-101H,1-11H2/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1",DZIFDDFXDDGQOX,FLCYYJKHSA,N,Maltoundecaose,DZIFDDFXDDGQOX-FLCYYJKHSA-N
HMDB59959,254.167686552,C10H28N2OP2,C[N+](C)(CCP)CC[N+](C)(C)CCOP,"InChI=1S/C10H28N2OP2/c1-11(2,7-9-13-15)5-6-12(3,4)8-10-14/h5-10,14-15H2,1-4H3/q+2",HTIABFAGQUDNHZ,UHFFFAOYSA,N,2-({2-[Dimethyl(2-phosphanylethyl)ammonio]ethyl}dimethylammonio)ethyl phosphinite,HTIABFAGQUDNHZ-UHFFFAOYSA-N
HMDB59960,545.178003178,C27H33N2O6S2,CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C=C1)S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C27H32N2O6S2/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p+1",IKHKJYWPWWBSFZ,UHFFFAOYSA,O,"4-{[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium",IKHKJYWPWWBSFZ-UHFFFAOYSA-O
HMDB59961,86.096974389,C5H12N,C[N+](C)(C)C=C,"InChI=1S/C5H12N/c1-5-6(2,3)4/h5H,1H2,2-4H3/q+1",PPJWCUOWPVSSSW,UHFFFAOYSA,N,"N,N,N-Trimethylethenaminium",PPJWCUOWPVSSSW-UHFFFAOYSA-N
HMDB59963,168.07864425,C9H12O3,COC1=CC(OC)=CC(OC)=C1,"InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3",LKUDPHPHKOZXCD,UHFFFAOYSA,N,"1,3,5-Trimethoxybenzene",LKUDPHPHKOZXCD-UHFFFAOYSA-N
HMDB59964,170.021523302,C7H6O5,OC(=O)C1=C(O)C(O)=C(O)C=C1,"InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)",BRRSNXCXLSVPFC,UHFFFAOYSA,N,"2,3,4-Trihydroxybenzoic acid",BRRSNXCXLSVPFC-UHFFFAOYSA-N
HMDB59965,138.031694058,C7H6O3,OC1=CC=C(C=O)C=C1O,"InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H",IBGBGRVKPALMCQ,UHFFFAOYSA,N,"3,4-Dihydroxybenzaldehyde",IBGBGRVKPALMCQ-UHFFFAOYSA-N
HMDB59966,154.062994186,C8H10O3,COC1=CC(OC)=CC(O)=C1,"InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3",XQDNFAMOIPNVES,UHFFFAOYSA,N,"3,5-Dimethoxyphenol",XQDNFAMOIPNVES-UHFFFAOYSA-N
HMDB59967,262.014723364,C9H10O7S,OC(CC(=O)OS(O)(=O)=O)C1=CC(O)=CC=C1,"InChI=1S/C9H10O7S/c10-7-3-1-2-6(4-7)8(11)5-9(12)16-17(13,14)15/h1-4,8,10-11H,5H2,(H,13,14,15)",MDWXOTLIYUYWJP,UHFFFAOYSA,N,3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate,MDWXOTLIYUYWJP-UHFFFAOYSA-N
HMDB59968,217.988508614,C7H6O6S,OC(=O)C1=CC(OS(O)(=O)=O)=CC=C1,"InChI=1S/C7H6O6S/c8-7(9)5-2-1-3-6(4-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12)",MZYPOJMKJHCOQG,UHFFFAOYSA,N,3-hydroxybenzoic acid-3-O-sulphate,MZYPOJMKJHCOQG-UHFFFAOYSA-N
HMDB59969,166.062994186,C9H10O3,COC1=CC=CC(CC(O)=O)=C1,"InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",LEGPZHPSIPPYIO,UHFFFAOYSA,N,3-Methoxyphenylacetic acid,LEGPZHPSIPPYIO-UHFFFAOYSA-N
HMDB59970,448.121690854,C18H24O13,OC(CCC(=O)OCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)CC1=CC(O)=C(O)C(O)=C1,"InChI=1S/C18H24O13/c19-8(3-7-4-9(20)12(23)10(21)5-7)1-2-11(22)29-6-30-18-15(26)13(24)14(25)16(31-18)17(27)28/h4-5,8,13-16,18-21,23-26H,1-3,6H2,(H,27,28)/t8?,13-,14-,15+,16-,18+/m0/s1",GDEQVTXLETYPCM,GELMFUDPSA,N,"4-Hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide",GDEQVTXLETYPCM-GELMFUDPSA-N
HMDB59971,402.116211546,C17H22O11,OC(CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)CC1=CC(O)=C(O)C=C1,"InChI=1S/C17H22O11/c18-8(5-7-1-3-9(19)10(20)6-7)2-4-11(21)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-20,22-24H,2,4-5H2,(H,25,26)/t8?,12-,13-,14+,15-,17+/m0/s1",FZTBEBWSWJPSHQ,AHLSELSJSA,N,"4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide",FZTBEBWSWJPSHQ-AHLSELSJSA-N
HMDB59972,434.142426296,C18H26O12,OC(CCC(=O)OCOC1OC(C(O)O)C(O)C(O)C1O)CC1=CC(O)=C(O)C=C1,"InChI=1S/C18H26O12/c19-9(5-8-1-3-10(20)11(21)6-8)2-4-12(22)28-7-29-18-15(25)13(23)14(24)16(30-18)17(26)27/h1,3,6,9,13-21,23-27H,2,4-5,7H2",KRZPFELARLSRKT,UHFFFAOYSA,N,"4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide",KRZPFELARLSRKT-UHFFFAOYSA-N
HMDB59973,402.116211546,C17H22O11,OC(CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)CC1=CC(O)=CC(O)=C1,"InChI=1S/C17H22O11/c18-8(3-7-4-9(19)6-10(20)5-7)1-2-11(21)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h4-6,8,12-15,17-20,22-24H,1-3H2,(H,25,26)/t8?,12-,13-,14+,15-,17+/m0/s1",COBSRKLPDWFDCG,AHLSELSJSA,N,"4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide",COBSRKLPDWFDCG-AHLSELSJSA-N
HMDB59974,434.142426296,C18H26O12,OC(CCC(=O)OCOC1OC(C(O)O)C(O)C(O)C1O)CC1=CC(O)=CC(O)=C1,"InChI=1S/C18H26O12/c19-9(3-8-4-10(20)6-11(21)5-8)1-2-12(22)28-7-29-18-15(25)13(23)14(24)16(30-18)17(26)27/h4-6,9,13-21,23-27H,1-3,7H2",NLJOFAILECLFIF,UHFFFAOYSA,N,"4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide",NLJOFAILECLFIF-UHFFFAOYSA-N
HMDB59975,290.046023492,C11H14O7S,OC(CCC(O)=O)CC1=CC(OS(O)(=O)=O)=CC=C1,"InChI=1S/C11H14O7S/c12-9(4-5-11(13)14)6-8-2-1-3-10(7-8)18-19(15,16)17/h1-3,7,9,12H,4-6H2,(H,13,14)(H,15,16,17)",DMBFBGLRQKIWGT,UHFFFAOYSA,N,4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate,DMBFBGLRQKIWGT-UHFFFAOYSA-N
HMDB59976,290.046023492,C11H14O7S,OC(CCC(O)=O)CC1=CC=C(OS(O)(=O)=O)C=C1,"InChI=1S/C11H14O7S/c12-9(3-6-11(13)14)7-8-1-4-10(5-2-8)18-19(15,16)17/h1-2,4-5,9,12H,3,6-7H2,(H,13,14)(H,15,16,17)",GIYMZAJHBZLOGR,UHFFFAOYSA,N,4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-O-sulphate,GIYMZAJHBZLOGR-UHFFFAOYSA-N
HMDB59977,336.0515028,C12H16O9S,OC(CCC(=O)OCOS(O)(=O)=O)CC1=CC(O)=C(O)C=C1,"InChI=1S/C12H16O9S/c13-9(5-8-1-3-10(14)11(15)6-8)2-4-12(16)20-7-21-22(17,18)19/h1,3,6,9,13-15H,2,4-5,7H2,(H,17,18,19)",YDBDCESYCNBVOY,UHFFFAOYSA,N,4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-methyl-O-sulphate,YDBDCESYCNBVOY-UHFFFAOYSA-N
HMDB59978,306.040938114,C11H14O8S,OC(CCC(=O)OS(O)(=O)=O)CC1=CC(O)=C(O)C=C1,"InChI=1S/C11H14O8S/c12-8(2-4-11(15)19-20(16,17)18)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,16,17,18)",VVUTYASUIRQDDR,UHFFFAOYSA,N,4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-sulphate,VVUTYASUIRQDDR-UHFFFAOYSA-N
HMDB59979,306.040938114,C11H14O8S,OC(CCC(=O)OS(O)(=O)=O)CC1=CC(O)=C(O)C=C1,"InChI=1S/C11H14O8S/c12-8(2-4-11(15)19-20(16,17)18)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,16,17,18)",VVUTYASUIRQDDR,UHFFFAOYSA,N,4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-sulphate III,VVUTYASUIRQDDR-UHFFFAOYSA-N
HMDB59980,370.126382302,C17H22O9,OC(CCC(=O)OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)CC1=CC=CC=C1,"InChI=1S/C17H22O9/c18-10(8-9-4-2-1-3-5-9)6-7-11(19)25-17-14(22)12(20)13(21)15(26-17)16(23)24/h1-5,10,12-15,17-18,20-22H,6-8H2,(H,23,24)/t10?,12-,13-,14+,15-,17?/m1/s1",IMTGYVWDOAJQQP,UFZVYEDBSA,N,4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide,IMTGYVWDOAJQQP-UFZVYEDBSA-N
HMDB59981,274.05110887,C11H14O6S,OC(CCC(=O)OS(O)(=O)=O)CC1=CC=CC=C1,"InChI=1S/C11H14O6S/c12-10(8-9-4-2-1-3-5-9)6-7-11(13)17-18(14,15)16/h1-5,10,12H,6-8H2,(H,14,15,16)",ZCVMPBGBUWWKNR,UHFFFAOYSA,N,4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate,ZCVMPBGBUWWKNR-UHFFFAOYSA-N
HMDB59982,217.988508614,C7H6O6S,OC(=O)C1=CC=C(OS(O)(=O)=O)C=C1,"InChI=1S/C7H6O6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12)",RJTYSXVYCZAUHE,UHFFFAOYSA,N,4-hydroxybenzoic acid-4-O-sulphate,RJTYSXVYCZAUHE-UHFFFAOYSA-N
HMDB59983,244.040544184,C10H12O5S,OS(=O)(=O)OC(=O)CCCC1=CC=CC=C1,"InChI=1S/C10H12O5S/c11-10(15-16(12,13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13,14)",QSAHCHSSSJBMMN,UHFFFAOYSA,N,4-phenylbutanic acid-O-sulphate,QSAHCHSSSJBMMN-UHFFFAOYSA-N
HMDB59984,400.100561482,C17H20O11,O[C@@H]1[C@@H](O)C(OC2=C(O)C(O)=CC(CC3CCC(=O)O3)=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7?,12-,13-,14+,15-,17?/m0/s1",VQHXMQYHVVQQFP,CXWHQSFFSA,N,"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide",VQHXMQYHVVQQFP-CXWHQSFFSA-N
HMDB59985,304.02528805,C11H12O8S,OC1=CC(CC2CCC(=O)O2)=CC(OS(O)(=O)=O)=C1O,"InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(13)18-7)5-9(11(8)14)19-20(15,16)17/h4-5,7,12,14H,1-3H2,(H,15,16,17)",OMISYDASOKPVDK,UHFFFAOYSA,N,"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-sulphate",OMISYDASOKPVDK-UHFFFAOYSA-N
HMDB59986,400.100561482,C17H20O11,O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=C(CC3CCC(=O)O3)C=C2O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(20)26-7)5-9(19)14(8)27-17-13(23)11(21)12(22)15(28-17)16(24)25/h4-5,7,11-13,15,17-19,21-23H,1-3H2,(H,24,25)/t7?,11-,12-,13+,15-,17+/m0/s1",ATYNVCXMADLPJQ,YSVLGHOVSA,N,"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide",ATYNVCXMADLPJQ-YSVLGHOVSA-N
HMDB59987,304.02528805,C11H12O8S,OC1=CC(CC2CCC(=O)O2)=CC(O)=C1OS(O)(=O)=O,"InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(14)18-7)5-9(13)11(8)19-20(15,16)17/h4-5,7,12-13H,1-3H2,(H,15,16,17)",NPIMUIQBYBJSBB,UHFFFAOYSA,N,"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-sulphate",NPIMUIQBYBJSBB-UHFFFAOYSA-N
HMDB59988,398.121296924,C18H22O10,COC1=C(OC2[C@@H](O)O[C@H]([C@H](O)[C@H]2O)C(O)=O)C=CC(CC2CCC(=O)O2)=C1,"InChI=1S/C18H22O10/c1-25-11-7-8(6-9-3-5-12(19)26-9)2-4-10(11)27-16-14(21)13(20)15(17(22)23)28-18(16)24/h2,4,7,9,13-16,18,20-21,24H,3,5-6H2,1H3,(H,22,23)/t9?,13-,14-,15-,16?,18+/m1/s1",CISWUCBSWWHCJB,WWHSGRCBSA,N,"5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-3'-O-methyl-4'-O-glucuronide",CISWUCBSWWHCJB-WWHSGRCBSA-N
HMDB59989,384.10564686,C17H20O10,O[C@H]1[C@H](O)[C@@H](OC2=C(O)C=C(CC3CCC(=O)O3)C=C2)O[C@H]([C@@H]1O)C(O)=O,"InChI=1S/C17H20O10/c18-9-6-7(5-8-2-4-11(19)25-8)1-3-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)/t8?,12-,13-,14+,15-,17+/m1/s1",OTBJYBQGMPICIK,GHPVWUPISA,N,"5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide",OTBJYBQGMPICIK-GHPVWUPISA-N
HMDB59990,398.121296924,C18H22O10,COC1=C(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C=C(CC2CCC(=O)O2)C=C1,"InChI=1S/C18H22O10/c1-25-10-4-2-8(6-9-3-5-12(19)26-9)7-11(10)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h2,4,7,9,13-16,18,20-22H,3,5-6H2,1H3,(H,23,24)/t9?,13-,14-,15+,16-,18+/m1/s1",VZGJAVFCUBLIJF,ZOQSEFCISA,N,"5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide",VZGJAVFCUBLIJF-ZOQSEFCISA-N
HMDB59991,362.172938564,C20H26O6,C[C@@H]1[C@@H](C)[C@H](OC2=CC=CC(CC3CCC(=O)O3)=C2)O[C@@H]([C@H]1C)C(O)=O,"InChI=1S/C20H26O6/c1-11-12(2)18(19(22)23)26-20(13(11)3)25-15-6-4-5-14(9-15)10-16-7-8-17(21)24-16/h4-6,9,11-13,16,18,20H,7-8,10H2,1-3H3,(H,22,23)/t11-,12-,13+,16?,18-,20+/m0/s1",GZLRAFFGSYXMES,UAISQINXSA,N,5-(3'-Hydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,GZLRAFFGSYXMES-UAISQINXSA-N
HMDB59992,364.188588628,C20H28O6,CC1C(C)C(OC2=CC=C(CC3CCC(=O)O3)C=C2)OC(C(O)O)C1C,"InChI=1S/C20H28O6/c1-11-12(2)18(19(22)23)26-20(13(11)3)25-15-6-4-14(5-7-15)10-16-8-9-17(21)24-16/h4-7,11-13,16,18-20,22-23H,8-10H2,1-3H3",DCVIOAHIQDCAHO,UHFFFAOYSA,N,5-(4'-Hydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide,DCVIOAHIQDCAHO-UHFFFAOYSA-N
HMDB59993,272.035458806,C11H12O6S,OS(=O)(=O)OC1=CC=CC(CC2CCC(=O)O2)=C1,"InChI=1S/C11H12O6S/c12-11-5-4-9(16-11)6-8-2-1-3-10(7-8)17-18(13,14)15/h1-3,7,9H,4-6H2,(H,13,14,15)",DPRDYFJWDRNYAZ,UHFFFAOYSA,N,5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate,DPRDYFJWDRNYAZ-UHFFFAOYSA-N
HMDB59994,231.020143093,C8H9NO5S,NC(=O)CC1=CC=C(OS(O)(=O)=O)C=C1,"InChI=1S/C8H9NO5S/c9-8(10)5-6-1-3-7(4-2-6)14-15(11,12)13/h1-4H,5H2,(H2,9,10)(H,11,12,13)",XPBXOWYWJUBGMF,UHFFFAOYSA,N,Benzeneacetamide-4-O-sulphate,XPBXOWYWJUBGMF-UHFFFAOYSA-N
HMDB59996,354.040938114,C15H14O8S,OC1=CC(O)=C(C(=O)CCC2=CC=C(OS(O)(=O)=O)C=C2)C(O)=C1,"InChI=1S/C15H14O8S/c16-10-7-13(18)15(14(19)8-10)12(17)6-3-9-1-4-11(5-2-9)23-24(20,21)22/h1-2,4-5,7-8,16,18-19H,3,6H2,(H,20,21,22)",IKBKWHISHDVLNO,UHFFFAOYSA,N,Dihydronaringenin-O-sulphate,IKBKWHISHDVLNO-UHFFFAOYSA-N
HMDB59997,325.079766461,C14H15NO8,O[C@H]1[C@H](O)[C@@H](OC2=CC3=C(C=CN3)C=C2O)O[C@H]([C@@H]1O)C(O)=O,"InChI=1S/C14H15NO8/c16-7-3-5-1-2-15-6(5)4-8(7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-4,9-12,14-19H,(H,20,21)/t9-,10-,11+,12-,14+/m1/s1",IAHCDPVIVIKDFJ,DIACKHNESA,N,Dihyroxy-1H-indole glucuronide I,IAHCDPVIVIKDFJ-DIACKHNESA-N
HMDB59998,286.068867424,C12H14O8,O[C@H]1[C@H](O)[C@@H](OC2=CC=CC=C2O)O[C@H]([C@@H]1O)C(O)=O,"InChI=1S/C12H14O8/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m1/s1",ICPYZFZFSLTYID,GPTQDWHKSA,N,Diphenol glucuronide,ICPYZFZFSLTYID-GPTQDWHKSA-N
HMDB59999,211.048072403,C9H9NO5,OC(=O)CNC(=O)C1=C(O)C=CC(O)=C1,"InChI=1S/C9H9NO5/c11-5-1-2-7(12)6(3-5)9(15)10-4-8(13)14/h1-3,11-12H,4H2,(H,10,15)(H,13,14)",FBFATOOJCPDQOZ,UHFFFAOYSA,N,Gentisuric acid,FBFATOOJCPDQOZ-UHFFFAOYSA-N
HMDB60000,250.014723364,C8H10O7S,COC1=CC(O)=C(C=C1)C(O)OS(O)(=O)=O,"InChI=1S/C8H10O7S/c1-14-5-2-3-6(7(9)4-5)8(10)15-16(11,12)13/h2-4,8-10H,1H3,(H,11,12,13)",DCXMBZPFKOPATQ,UHFFFAOYSA,N,Hydroxymethoxyphenylcarboxylic acid-O-sulphate,DCXMBZPFKOPATQ-UHFFFAOYSA-N
HMDB60001,351.095416525,C16H17NO8,O[C@@H]1[C@@H](O)[C@H](OC(=O)CC2=CNC3=C2C=CC=C3)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C16H17NO8/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h1-4,6,11-14,16-17,19-21H,5H2,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1",BPTLUNCVRGWZSW,JHZZJYKESA,N,Indole-3-acetic-acid-O-glucuronide,BPTLUNCVRGWZSW-JHZZJYKESA-N
HMDB60002,241.004493029,C9H7NO5S,OS(=O)(=O)OC(=O)C1=CNC2=C1C=CC=C2,"InChI=1S/C9H7NO5S/c11-9(15-16(12,13)14)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,12,13,14)",BXPGPYRRSKPDOZ,UHFFFAOYSA,N,Indole-3-carboxilic acid-O-sulphate,BXPGPYRRSKPDOZ-UHFFFAOYSA-N
HMDB60003,168.042258744,C8H8O4,COC1=CC=C(C=C1O)C(O)=O,"InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)",LBKFGYZQBSGRHY,UHFFFAOYSA,N,Isovanillic acid,LBKFGYZQBSGRHY-UHFFFAOYSA-N
HMDB60004,316.188588628,C16H28O6,CC(C)C1CCC(C)CC1[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C16H28O6/c1-7(2)9-5-4-8(3)6-10(9)14-12(18)11(17)13(19)15(22-14)16(20)21/h7-15,17-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13+,14+,15+/m1/s1",JOHLBVHVVBAEGN,GEPIISMBSA,N,Menthol-glucoronide,JOHLBVHVVBAEGN-GEPIISMBSA-N
HMDB60005,263.993987922,C8H8O8S,CC1=C(C=C(O)C(O)=C1O)C(=O)OS(O)(=O)=O,"InChI=1S/C8H8O8S/c1-3-4(8(12)16-17(13,14)15)2-5(9)7(11)6(3)10/h2,9-11H,1H3,(H,13,14,15)",XRHMVNYIWRBFDB,UHFFFAOYSA,N,Methylgallic acid-O-sulphate,XRHMVNYIWRBFDB-UHFFFAOYSA-N
HMDB60006,275.034920898,C14H10ClNO3,[H]C(=O)C1=C(Cl)C=CC=C1NC1=C(C=CC=C1)C(O)=O,"InChI=1S/C14H10ClNO3/c15-11-5-3-7-13(10(11)8-17)16-12-6-2-1-4-9(12)14(18)19/h1-8,16H,(H,18,19)",LGDLLXQRAYRQSC,UHFFFAOYSA,N,N-(2-formyl-3-chlorophenyl)anthranilic acid,LGDLLXQRAYRQSC-UHFFFAOYSA-N
HMDB60007,293.045485584,C14H12ClNO4,OCC1=C(Cl)C(O)=CC=C1NC1=C(C=CC=C1)C(O)=O,"InChI=1S/C14H12ClNO4/c15-13-9(7-17)11(5-6-12(13)18)16-10-4-2-1-3-8(10)14(19)20/h1-6,16-18H,7H2,(H,19,20)",ZESDLTOKUCGKGS,UHFFFAOYSA,N,N-(2-hydroxymethyl-3-chloro-4-hydroxyphenyl)anthranilic acid,ZESDLTOKUCGKGS-UHFFFAOYSA-N
HMDB60008,277.050570962,C14H12ClNO3,OCC1=C(NC2=CC=CC=C2C(O)=O)C=CC=C1Cl,"InChI=1S/C14H12ClNO3/c15-11-5-3-7-13(10(11)8-17)16-12-6-2-1-4-9(12)14(18)19/h1-7,16-17H,8H2,(H,18,19)",BMLZYLYIEWXTCM,UHFFFAOYSA,N,N-(2-hydroxymethyl-3-chlorophenyl)anthranilic acid,BMLZYLYIEWXTCM-UHFFFAOYSA-N
HMDB60009,277.050570962,C14H12ClNO3,CC1=C(Cl)C(O)=CC=C1NC1=C(C=CC=C1)C(O)=O,"InChI=1S/C14H12ClNO3/c1-8-10(6-7-12(17)13(8)15)16-11-5-3-2-4-9(11)14(18)19/h2-7,16-17H,1H3,(H,18,19)",VRNDVGVAHVCCCU,UHFFFAOYSA,N,N-(2-methyl-3-chloro-4-hydroxyphenyl)anthranilic acid,VRNDVGVAHVCCCU-UHFFFAOYSA-N
HMDB60010,277.050570962,C14H12ClNO3,CC1=C(Cl)C=C(O)C=C1NC1=C(C=CC=C1)C(O)=O,"InChI=1S/C14H12ClNO3/c1-8-11(15)6-9(17)7-13(8)16-12-5-3-2-4-10(12)14(18)19/h2-7,16-17H,1H3,(H,18,19)",CMXXNDVGOJPVAC,UHFFFAOYSA,N,N-(2-methyl-3-chloro-5-hydroxyphenyl)anthranilic acid,CMXXNDVGOJPVAC-UHFFFAOYSA-N
HMDB60011,262.044583704,C9H14N2O3S2,CC(=O)NC(CSC(=S)NCC=C)C(O)=O,"InChI=1S/C9H14N2O3S2/c1-3-4-10-9(15)16-5-7(8(13)14)11-6(2)12/h3,7H,1,4-5H2,2H3,(H,10,15)(H,11,12)(H,13,14)",DJFUZUUKZXAXBZ,UHFFFAOYSA,N,N-acetyl-S-(N-allylthiocarbamoyl)-L-cysteine,DJFUZUUKZXAXBZ-UHFFFAOYSA-N
HMDB60012,332.18350325,C16H28O7,CC(C)C1CCC(C)CC1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13+,14-,16+/m0/s1",CLJGMBYGTHRUNF,SHLVDPONSA,N,Neomenthol-glucuronide,CLJGMBYGTHRUNF-SHLVDPONSA-N
HMDB60013,204.009244056,C7H8O5S,COC1=C(OS(O)(=O)=O)C=CC=C1,"InChI=1S/C7H8O5S/c1-11-6-4-2-3-5-7(6)12-13(8,9)10/h2-5H,1H3,(H,8,9,10)",AQTYXAPIHMXAAV,UHFFFAOYSA,N,O-methoxycatechol-O-sulphate,AQTYXAPIHMXAAV-UHFFFAOYSA-N
HMDB60014,270.073952802,C12H14O7,O[C@@H]1[C@@H](O)[C@H](OC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12+/m0/s1",WVHAUDNUGBNUDZ,GOVZDWNOSA,N,Phenol glucuronide,WVHAUDNUGBNUDZ-GOVZDWNOSA-N
HMDB60015,173.99867937,C6H6O4S,OS(=O)(=O)OC1=CC=CC=C1,"InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)",CTYRPMDGLDAWRQ,UHFFFAOYSA,N,Phenol sulphate,CTYRPMDGLDAWRQ-UHFFFAOYSA-N
HMDB60016,205.988508614,C6H6O6S,OC1=C(O)C(OS(O)(=O)=O)=CC=C1,"InChI=1S/C6H6O6S/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h1-3,7-8H,(H,9,10,11)",NGVLEQPKHLWZLN,UHFFFAOYSA,N,Pyrogallol-1-O-sulphate,NGVLEQPKHLWZLN-UHFFFAOYSA-N
HMDB60017,302.063782046,C12H14O9,O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=CC=C2O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C12H14O9/c13-4-2-1-3-5(14)9(4)20-12-8(17)6(15)7(16)10(21-12)11(18)19/h1-3,6-8,10,12-17H,(H,18,19)/t6-,7-,8+,10-,12+/m0/s1",SOHXEAWMMVSJFL,COGRHJPHSA,N,Pyrogallol-2-O-glucuronide,SOHXEAWMMVSJFL-COGRHJPHSA-N
HMDB60018,205.988508614,C6H6O6S,OC1=CC=CC(O)=C1OS(O)(=O)=O,"InChI=1S/C6H6O6S/c7-4-2-1-3-5(8)6(4)12-13(9,10)11/h1-3,7-8H,(H,9,10,11)",XADBYTWTQXSBAF,UHFFFAOYSA,N,Pyrogallol-2-O-sulphate,XADBYTWTQXSBAF-UHFFFAOYSA-N
HMDB60019,400.100561482,C17H20O11,COC1=CC(\C=C\C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC(OC)=C1O,"InChI=1S/C17H20O11/c1-25-8-5-7(6-9(26-2)11(8)19)3-4-10(18)27-17-14(22)12(20)13(21)15(28-17)16(23)24/h3-6,12-15,17,19-22H,1-2H3,(H,23,24)/b4-3+/t12-,13-,14+,15-,17+/m0/s1",YAIVMBWMHPRYKU,VKAIBYOUSA,N,Sinapinic acid-O-glucuronide isomer,YAIVMBWMHPRYKU-VKAIBYOUSA-N
HMDB60020,304.02528805,C11H12O8S,COC1=CC(\C=C\C(=O)OS(O)(=O)=O)=CC(OC)=C1O,"InChI=1S/C11H12O8S/c1-17-8-5-7(6-9(18-2)11(8)13)3-4-10(12)19-20(14,15)16/h3-6,13H,1-2H3,(H,14,15,16)/b4-3+",LAHUBJBDDCZJTK,ONEGZZNKSA,N,Sinapinic acid-O-sulphate,LAHUBJBDDCZJTK-ONEGZZNKSA-N
HMDB60021,340.115817616,C16H20O8,COC1=CC(\C=C\C)=CC=C1OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C16H20O8/c1-3-4-8-5-6-9(10(7-8)22-2)23-16-13(19)11(17)12(18)14(24-16)15(20)21/h3-7,11-14,16-19H,1-2H3,(H,20,21)/b4-3+/t11-,12-,13+,14-,16?/m0/s1",HBQGHTRBYUFZLV,MIJQFFSFSA,N,trans-isoeugenol-O-glucuronide,HBQGHTRBYUFZLV-MIJQFFSFSA-N
HMDB60022,404.074346732,C19H16O10,O[C@H]1[C@H](O)[C@@H](OC2=CC=C3C(OC(=O)C4=C3C=CC(O)=C4)=C2)O[C@H]([C@@H]1O)C(O)=O,"InChI=1S/C19H16O10/c20-7-1-3-9-10-4-2-8(6-12(10)28-18(26)11(9)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)/t13-,14-,15+,16-,19+/m1/s1",KXBXNRJGUDTJQS,FDQIELQPSA,N,Urolithin A-8-O-glucuronide,KXBXNRJGUDTJQS-FDQIELQPSA-N
HMDB60024,342.095082174,C15H18O9,COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1C)C(O)=O)C(O)=O,"InChI=1S/C15H18O9/c1-6-10(16)11(17)12(14(20)21)24-15(6)23-8-4-3-7(13(18)19)5-9(8)22-2/h3-6,10-12,15-17H,1-2H3,(H,18,19)(H,20,21)/t6-,10-,11+,12+,15-/m1/s1",MBNPZIKKKDDLLL,QGZCQISNSA,N,Vanillic acid-4-O-glucuronide,MBNPZIKKKDDLLL-QGZCQISNSA-N
HMDB60026,225.063722467,C10H11NO5,COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O,"InChI=1S/C10H11NO5/c1-16-8-4-6(2-3-7(8)12)10(15)11-5-9(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14)",LOODYTDRRBLQNH,UHFFFAOYSA,N,Vanilloylglycine,LOODYTDRRBLQNH-UHFFFAOYSA-N
HMDB60027,414.116211546,C18H22O11,COC1=C(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C(O)=CC(CC2CCC(=O)O2)=C1,"InChI=1S/C18H22O11/c1-26-10-6-7(4-8-2-3-11(20)27-8)5-9(19)15(10)28-18-14(23)12(21)13(22)16(29-18)17(24)25/h5-6,8,12-14,16,18-19,21-23H,2-4H2,1H3,(H,24,25)/t8?,12-,13-,14+,16-,18+/m1/s1",OQZAGOJJVQJMIE,ZTPQVCSDSA,N,"5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide",OQZAGOJJVQJMIE-ZTPQVCSDSA-N
HMDB60028,414.116211546,C18H22O11,COC1=C(O)C(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)=CC(CC2CCC(=O)O2)=C1,"InChI=1S/C18H22O11/c1-26-9-5-7(4-8-2-3-11(19)27-8)6-10(12(9)20)28-18-15(23)13(21)14(22)16(29-18)17(24)25/h5-6,8,13-16,18,20-23H,2-4H2,1H3,(H,24,25)/t8?,13-,14-,15+,16-,18+/m1/s1",KPVLDYMZFUPBJG,VHXBZSDJSA,N,"5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide",KPVLDYMZFUPBJG-VHXBZSDJSA-N
HMDB60029,334.035852736,C12H14O9S,OC1=CC(CC2CCC(=O)O2)=CC(OCOS(O)(=O)=O)=C1O,"InChI=1S/C12H14O9S/c13-9-4-7(3-8-1-2-11(14)21-8)5-10(12(9)15)19-6-20-22(16,17)18/h4-5,8,13,15H,1-3,6H2,(H,16,17,18)",KDFRMSXAKYPTNJ,UHFFFAOYSA,N,"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-O-methyl-O-sulphate",KDFRMSXAKYPTNJ-UHFFFAOYSA-N
HMDB60030,398.121296924,C18H22O10,COC(=O)[C@H]1OC(OC2=CC(O)=CC(CC3CCC(=O)O3)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C18H22O10/c1-25-17(24)16-14(22)13(21)15(23)18(28-16)27-11-6-8(4-9(19)7-11)5-10-2-3-12(20)26-10/h4,6-7,10,13-16,18-19,21-23H,2-3,5H2,1H3/t10?,13-,14-,15+,16-,18?/m0/s1",SNIRJYJBIJKJEM,LQOUNWOVSA,N,"5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl",SNIRJYJBIJKJEM-LQOUNWOVSA-N
HMDB60031,302.046023492,C12H14O7S,COS(=O)(=O)OC1=CC(O)=CC(CC2CCC(=O)O2)=C1,"InChI=1S/C12H14O7S/c1-17-20(15,16)19-11-6-8(4-9(13)7-11)5-10-2-3-12(14)18-10/h4,6-7,10,13H,2-3,5H2,1H3",FXGBBWWEXQWRKV,UHFFFAOYSA,N,"5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl",FXGBBWWEXQWRKV-UHFFFAOYSA-N
HMDB60032,451.067008886,C20H18ClNO9,[H]C(=O)C1=C(NC2=CC=CC=C2C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC=C1Cl,"InChI=1S/C20H18ClNO9/c21-11-5-3-7-13(10(11)8-23)22-12-6-2-1-4-9(12)19(29)31-20-16(26)14(24)15(25)17(30-20)18(27)28/h1-8,14-17,20,22,24-26H,(H,27,28)/t14-,15-,16+,17-,20-/m0/s1",OGHOTYPZJURZLG,GHHWKCCRSA,N,(beta-1-O-[N-(2-formyl-3-chlorophenyl)anthraniloyl]-D-glucupyranuronic acid),OGHOTYPZJURZLG-GHHWKCCRSA-N
HMDB60033,453.08265895,C20H20ClNO9,OCC1=C(NC2=CC=CC=C2C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC=C1Cl,"InChI=1S/C20H20ClNO9/c21-11-5-3-7-13(10(11)8-23)22-12-6-2-1-4-9(12)19(29)31-20-16(26)14(24)15(25)17(30-20)18(27)28/h1-7,14-17,20,22-26H,8H2,(H,27,28)/t14-,15-,16+,17-,20-/m0/s1",AJHQYJCHUXKKEZ,GHHWKCCRSA,N,(beta-1-O-[N-(2-hydroxymethyl-3-chlorophenyl)-anthraniloyl]-D-glucupyranuronic acid),AJHQYJCHUXKKEZ-GHHWKCCRSA-N
HMDB60034,469.077573572,C20H20ClNO10,OCC1=C(NC2=CC=CC=C2C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(O)=C1Cl,"InChI=1S/C20H20ClNO10/c21-13-9(7-23)11(5-6-12(13)24)22-10-4-2-1-3-8(10)19(30)32-20-16(27)14(25)15(26)17(31-20)18(28)29/h1-6,14-17,20,22-27H,7H2,(H,28,29)/t14-,15-,16+,17-,20-/m0/s1",NZWGBGFWNQHXDI,GHHWKCCRSA,N,(beta-1-O-[N-(2-hydroxymethyl-3-chlorophenyl)anthraniloyl]-D-glucupyranuronic acid),NZWGBGFWNQHXDI-GHHWKCCRSA-N
HMDB60035,453.08265895,C20H20ClNO9,CC1=C(NC2=CC=CC=C2C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(O)=C1Cl,"InChI=1S/C20H20ClNO9/c1-8-10(6-7-12(23)13(8)21)22-11-5-3-2-4-9(11)19(29)31-20-16(26)14(24)15(25)17(30-20)18(27)28/h2-7,14-17,20,22-26H,1H3,(H,27,28)/t14-,15-,16+,17-,20-/m0/s1",PZKAQECJZQGQBZ,GHHWKCCRSA,N,(beta-1-O-[N-(2-methyl-3-chlorophenyl-4-hydroxy)anthraniloyl]-D-glucupyranuronic acid),PZKAQECJZQGQBZ-GHHWKCCRSA-N
HMDB60036,453.08265895,C20H20ClNO9,CC1=C(NC2=CC=CC=C2C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(O)C=C1Cl,"InChI=1S/C20H20ClNO9/c1-8-11(21)6-9(23)7-13(8)22-12-5-3-2-4-10(12)19(29)31-20-16(26)14(24)15(25)17(30-20)18(27)28/h2-7,14-17,20,22-26H,1H3,(H,27,28)/t14-,15-,16+,17-,20-/m0/s1",ONPUKFUUCQTJPA,GHHWKCCRSA,N,(beta-1-O-[N-(2-methyl-3-chlorophenyl-5-hydroxy) anthraniloyl]-D-glucupyranuronic acid,ONPUKFUUCQTJPA-GHHWKCCRSA-N
HMDB60037,344.23514489,C22H32O3,CC\C=C/C\C=C/C\C=C/C=C\C(O)C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-21(23)19-16-13-10-11-14-17-20-22(24)25/h3-4,6-7,9,11-16,18,21,23H,2,5,8,10,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15-",DDCYKEYDTGCKAS,PMYRRKJZSA,N,10-HDoHE,DDCYKEYDTGCKAS-PMYRRKJZSA-N
HMDB60038,268.240230268,C17H32O2,CCCCCC\C=C/CCCCCCCCC(O)=O,"InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,9-16H2,1H3,(H,18,19)/b8-7-",GDTXICBNEOEPAZ,FPLPWBNLSA,N,10Z-Heptadecenoic acid,GDTXICBNEOEPAZ-FPLPWBNLSA-N
HMDB60039,306.255880332,C20H34O2,CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)=O,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-",AHANXAKGNAKFSK,PDBXOOCHSA,N,"11,14,17-Eicosatrienoic acid",AHANXAKGNAKFSK-PDBXOOCHSA-N
HMDB60040,344.23514489,C22H32O3,CC\C=C/C\C=C/C\C=C/CC(O)\C=C\C=C\C\C=C/CCC(O)=O,"InChI=1S/C22H32O3/c1-2-3-4-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22(24)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,13-10+,14-11-,15-12-,19-16+",LTERDCBCHFKFRI,KEFMQFBKSA,N,11-HDoHE,LTERDCBCHFKFRI-KEFMQFBKSA-N
HMDB60041,352.224974134,C20H32O5,CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19-/m0/s1",XEYBRNLFEZDVAW,YUOXZBOXSA,N,11b-PGE2,XEYBRNLFEZDVAW-YUOXZBOXSA-N
HMDB60042,352.224974134,C20H32O5,CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+/m1/s1",VSRXYLYXIXYEST,KZTWKYQFSA,N,"13,14-Dihydro-15-keto-PGD2",VSRXYLYXIXYEST-KZTWKYQFSA-N
HMDB60043,314.26096571,C22H34O,CCC\C=C/C\C=C/C\C=C/CC(O)\C=C\C=C\C\C=C/CC,"InChI=1S/C22H34O/c1-3-5-7-9-11-12-13-15-17-19-21-22(23)20-18-16-14-10-8-6-4-2/h6-9,12-14,16-20,22-23H,3-5,10-11,15,21H2,1-2H3/b8-6-,9-7-,13-12-,16-14+,19-17-,20-18+",WLJSEUMCVZZUTN,LZSWNSAASA,N,13-HDoHE,WLJSEUMCVZZUTN-LZSWNSAASA-N
HMDB60044,356.23514489,C23H32O3,CCC1C=C1C\C=C/CC(O)\C=C\C=C\C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C23H32O3/c1-2-20-19-21(20)15-13-14-17-22(24)16-11-9-7-5-3-4-6-8-10-12-18-23(25)26/h3-4,7-11,13-14,16,19-20,22,24H,2,5-6,12,15,17-18H2,1H3,(H,25,26)/b4-3-,9-7+,10-8-,14-13-,16-11+",CWSPVLXISZCJGY,YUMKVNNGSA,N,14-HDoHE,CWSPVLXISZCJGY-YUMKVNNGSA-N
HMDB60045,354.240624198,C20H34O5,CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-19,22-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,18+,19-/m1/s1",QPXXPLNAYDQELM,QNXXGYPUSA,N,15-keto-PGF1alpha,QPXXPLNAYDQELM-QNXXGYPUSA-N
HMDB60046,334.214409448,C20H30O4,CCCCC\C=C/C=C1\[C@H](C\C=C/CCCC(O)=O)[C@H](O)CC1=O,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6-,10-7-,16-12+/t17-,19+/m0/s1",QUGBPWLPAUHDTI,GYLTVPKHSA,N,15d PGD2,QUGBPWLPAUHDTI-GYLTVPKHSA-N
HMDB60047,344.23514489,C22H32O3,CC\C=C/C=C\C(O)C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O3/c1-2-3-4-15-18-21(23)19-16-13-11-9-7-5-6-8-10-12-14-17-20-22(24)25/h3-4,6-9,12-16,18,21,23H,2,5,10-11,17,19-20H2,1H3,(H,24,25)/b4-3-,8-6-,9-7-,14-12-,16-13-,18-15-",CSXQXWHAGLIFIH,OMFYHICESA,N,16-HDoHE,CSXQXWHAGLIFIH-OMFYHICESA-N
HMDB60048,344.23514489,C22H32O3,CCC(O)\C=C\C=C\C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O3/c1-2-21(23)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(24)25/h3-4,7-10,13-17,19,21,23H,2,5-6,11-12,18,20H2,1H3,(H,24,25)/b4-3-,9-7-,10-8-,15-13+,16-14-,19-17+",YUZXOJOCNGKDNI,GZTWONMCSA,N,20-HDoHE,YUZXOJOCNGKDNI-GZTWONMCSA-N
HMDB60049,344.23514489,C22H32O3,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C\C(O)CCC(O)=O,"InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17-",IFRKCNPQVIJFAQ,JGDWKEERSA,N,4-HDoHE,IFRKCNPQVIJFAQ-JGDWKEERSA-N
HMDB60050,344.23514489,C22H32O3,CC\C=C/C\C=C/C\C=C/C\C=C/C=C\C(O)C\C=C/CCC(O)=O,"InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)19-16-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,18,21,23H,2,5,8,11,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-14-,18-15-",OZXAIGIRPOOJTI,VLGMZSPHSA,N,7-HDoHE,OZXAIGIRPOOJTI-VLGMZSPHSA-N
HMDB60051,344.23514489,C22H32O3,CC\C=C/C\C=C/C\C=C/C\C=C/CC(O)\C=C\C=C\CCC(O)=O,"InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21(23)19-16-13-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,19,21,23H,2,5,8,11,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,14-13+,15-12-,19-16+",ZHBVYDMSPDDAKE,KSOSSLAQSA,N,8-HDoHE,ZHBVYDMSPDDAKE-KSOSSLAQSA-N
HMDB60052,322.250794954,C20H34O3,CCCCC\C=C/C\C=C\C=C/[C@@H](O)CCCCCCC(O)=O,"InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-10,13,16,19,21H,2-5,8,11-12,14-15,17-18H2,1H3,(H,22,23)/b7-6-,10-9+,16-13-/t19-/m1/s1",SKIQVURLERJJCK,GMPUQMIZSA,N,8-HETrE,SKIQVURLERJJCK-GMPUQMIZSA-N
HMDB60053,318.219494826,C20H30O3,CC\C=C\C\C=C\C\C=C\CC(O)\C=C\C=C\CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,17,19,21H,2,5,8,12,15-16,18H2,1H3,(H,22,23)/b4-3+,7-6+,11-9+,13-10+,17-14+",OXOPDAZWPWFJEW,RZDGCYLUSA,N,9-HEPE,OXOPDAZWPWFJEW-RZDGCYLUSA-N
HMDB60054,334.214409448,C20H30O4,CCCCC1[C@H]2CC(=O)[C@H](C\C=C/CCCC(O)=O)[C@H]2CCC1=O,"InChI=1S/C20H30O4/c1-2-3-8-16-17-13-19(22)15(14(17)11-12-18(16)21)9-6-4-5-7-10-20(23)24/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,23,24)/b6-4-/t14-,15-,16?,17+/m1/s1",CGCZPIJMGKLVTQ,PAJBVNRRSA,N,bicyclo-PGE2,CGCZPIJMGKLVTQ-PAJBVNRRSA-N
HMDB60055,266.188194698,C16H26O3,CCCCC\C=C/C[C@H](O)\C=C\C=C/CCC(O)=O,"InChI=1S/C16H26O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6-10,13,15,17H,2-5,11-12,14H2,1H3,(H,18,19)/b8-7-,9-6-,13-10+/t15-/m0/s1",KBOVKDIBOBQLRS,ONCCEEIJSA,N,Tetranor 12-HETE,KBOVKDIBOBQLRS-ONCCEEIJSA-N
HMDB60056,608.553231548,C42H72O2,[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)CCCCCCC\C=C\CCCCC,"InChI=1S/C42H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-40(43)44-35-27-29-41(5)34(31-35)23-24-36-38-26-25-37(33(4)21-19-20-32(2)3)42(38,6)30-28-39(36)41/h11-12,23,32-33,35-39H,7-10,13-22,24-31H2,1-6H3/b12-11+/t33-,35+,36+,37?,38+,39+,41+,42-/m1/s1",TWLPMPGSSFTOAZ,VVLOTQQHSA,N,CE(15:1),TWLPMPGSSFTOAZ-VVLOTQQHSA-N
HMDB60057,610.568881612,C42H74O2,[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C42H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-40(43)44-35-27-29-41(5)34(31-35)23-24-36-38-26-25-37(33(4)21-19-20-32(2)3)42(38,6)30-28-39(36)41/h23,32-33,35-39H,7-22,24-31H2,1-6H3/t33-,35+,36+,37?,38+,39+,41+,42-/m1/s1",BDBPUUADYAQHAV,LNVIZZJGSA,N,CE(15:0),BDBPUUADYAQHAV-LNVIZZJGSA-N
HMDB60058,620.553231548,C43H72O2,[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)CCCCCCC\C=C\C\C=C\CCC,"InChI=1S/C43H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h9-10,12-13,24,33-34,36-40H,7-8,11,14-23,25-32H2,1-6H3/b10-9+,13-12+/t34-,36+,37+,38?,39+,40+,42+,43-/m1/s1",OYOAMRKUJRRRSM,FYALRKDYSA,N,CE(16:2),OYOAMRKUJRRRSM-FYALRKDYSA-N
HMDB60059,638.60018174,C44H78O2,[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C44H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h25,34-35,37-41H,7-24,26-33H2,1-6H3/t35-,37+,38+,39?,40+,41+,43+,44-/m1/s1",PPQNZVDOBYGOLY,QEXSOPRKSA,N,CE(17:0),PPQNZVDOBYGOLY-QEXSOPRKSA-N
HMDB60060,636.584531676,C44H76O2,[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)CCCCCCC\C=C\CCCCCCC,"InChI=1S/C44H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h13-14,25,34-35,37-41H,7-12,15-24,26-33H2,1-6H3/b14-13+/t35-,37+,38+,39?,40+,41+,43+,44-/m1/s1",RLMIGWIAENJHMP,VLNSMXAJSA,N,CE(17:1),RLMIGWIAENJHMP-VLNSMXAJSA-N
HMDB60061,351.217459715,C16H34NO5P,[H][C@](N)(COP(O)(O)=O)[C@]([H])(O)\C=C\CCCCCCCCCCC,"InChI=1S/C16H34NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)15(17)14-22-23(19,20)21/h12-13,15-16,18H,2-11,14,17H2,1H3,(H2,19,20,21)/b13-12+/t15-,16+/m0/s1",IQHNJQKWEMCXAD,YYZTVXDQSA,N,Sphingosine 1-phosphate (d16:1-P),IQHNJQKWEMCXAD-YYZTVXDQSA-N
HMDB60062,395.280059971,C19H42NO5P,[H][C@](N)(COP(O)(O)=O)[C@]([H])(O)CCCCCCCCCCCCCCCC,"InChI=1S/C19H42NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)18(20)17-25-26(22,23)24/h18-19,21H,2-17,20H2,1H3,(H2,22,23,24)/t18-,19+/m0/s1",WVBBZEILYLXGFN,RBUKOAKNSA,N,Sphingosine 1-phosphate (d19:1-P),WVBBZEILYLXGFN-RBUKOAKNSA-N
HMDB60063,177.078978601,C10H11NO2,C[N+]1(C)C=CC2=CC(O)=C([O-])C=C12,"InChI=1S/C10H11NO2/c1-11(2)4-3-7-5-9(12)10(13)6-8(7)11/h3-6H,1-2H3,(H-,12,13)",AVORYUIJMLOMPW,UHFFFAOYSA,N,"N,N-dimethylindoliumolate",AVORYUIJMLOMPW-UHFFFAOYSA-N
HMDB60065,195.089543287,C10H13NO3,CN1CC(O)C2=CC(O)=C(O)C=C2C1,"InChI=1S/C10H13NO3/c1-11-4-6-2-8(12)9(13)3-7(6)10(14)5-11/h2-3,10,12-14H,4-5H2,1H3",PIJDIPDQQMXWEM,UHFFFAOYSA,N,"N-methyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline",PIJDIPDQQMXWEM-UHFFFAOYSA-N
HMDB60066,217.179026995,C10H23N3O2,NCCCNCCCCNCCC(O)=O,"InChI=1S/C10H23N3O2/c11-5-3-8-12-6-1-2-7-13-9-4-10(14)15/h12-13H,1-9,11H2,(H,14,15)",JQNGEJIUZQDHIS,UHFFFAOYSA,N,Spermic acid 1,JQNGEJIUZQDHIS-UHFFFAOYSA-N
HMDB60067,430.065465904,C11H20N4O10P2,NCCP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=N)N=C1O,"InChI=1S/C11H20N4O10P2/c12-2-4-26(19,20)25-27(21,22)23-5-6-8(16)9(17)10(24-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1",FBADRUOBFLBKJQ,PEBGCTIMSA,N,CMP-2-aminoethylphosphonate,FBADRUOBFLBKJQ-PEBGCTIMSA-N
HMDB60068,342.116211546,C12H22O11,OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9+,10+,11-,12-/m1/s1",QIGJYVCQYDKYDW,WPMDEUETSA,N,"Glucose-1,3-mannose oligosaccharide",QIGJYVCQYDKYDW-WPMDEUETSA-N
HMDB60069,248.116092388,C13H16N2O3,COC1=CC2=C(NC3N(CCC23O)C(C)=O)C=C1,"InChI=1S/C13H16N2O3/c1-8(16)15-6-5-13(17)10-7-9(18-2)3-4-11(10)14-12(13)15/h3-4,7,12,14,17H,5-6H2,1-2H3",VADOSKJWFKUPQF,UHFFFAOYSA,N,cyclic 3-Hydroxymelatonin,VADOSKJWFKUPQF-UHFFFAOYSA-N
HMDB60070,249.12391742,C13H17N2O3,COC1=CC2=C(N[CH]C2(O)CCN=C(C)O)C=C1,"InChI=1S/C13H17N2O3/c1-9(16)14-6-5-13(17)8-15-12-4-3-10(18-2)7-11(12)13/h3-4,7-8,15,17H,5-6H2,1-2H3,(H,14,16)",SQNQBXWYHXYLQX,UHFFFAOYSA,N,Melatonin radical,SQNQBXWYHXYLQX-UHFFFAOYSA-N
HMDB60071,379.111460519,C14H21NO11,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10+,11+,13+,14-/m0/s1",DLGJWSVWTWEWBJ,UCFDOFRFSA,N,"Hyaluronan biosynthesis, precursor 1",DLGJWSVWTWEWBJ-UCFDOFRFSA-N
HMDB60072,473.120241128,C14H27N4O10P2,C[N+](C)(C)CCP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=N)N=C1O,"InChI=1S/C14H26N4O10P2/c1-18(2,3)6-7-29(22,23)28-30(24,25)26-8-9-11(19)12(20)13(27-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p+1/t9-,11-,12-,13-/m1/s1",RNUGPSIGKYHQNQ,OJAKKHQRSA,O,CMP-N-trimethyl-2-aminoethylphosphonate,RNUGPSIGKYHQNQ-OJAKKHQRSA-O
HMDB60074,650.790038137,C15H12I3NO4,NC(CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C=C1)C(O)=O,"InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)",HZCBWYNLGPIQRK,UHFFFAOYSA,N,Reverse-triiodthyronine,HZCBWYNLGPIQRK-UHFFFAOYSA-N
HMDB60075,604.850209305,C15H13I2NO7S,N[C@H](CC1=CC=C(OC2=CC(I)=C(OS(O)(=O)=O)C(I)=C2)C=C1)C(O)=O,"InChI=1S/C15H13I2NO7S/c16-11-6-10(7-12(17)14(11)25-26(21,22)23)24-9-3-1-8(2-4-9)5-13(18)15(19)20/h1-4,6-7,13H,5,18H2,(H,19,20)(H,21,22,23)/t13-/m1/s1",BVGCAAVTXFZYKS,CYBMUJFWSA,N,"3',5'-Diiodo-L-thyronine 4'-O-sulfate",BVGCAAVTXFZYKS-CYBMUJFWSA-N
HMDB60076,478.953565917,C15H14INO7S,N[C@H](CC1=CC=C(OC2=CC(I)=C(OS(O)(=O)=O)C=C2)C=C1)C(O)=O,"InChI=1S/C15H14INO7S/c16-12-8-11(5-6-14(12)24-25(20,21)22)23-10-3-1-9(2-4-10)7-13(17)15(18)19/h1-6,8,13H,7,17H2,(H,18,19)(H,20,21,22)/t13-/m1/s1",HPQMRLCNKPMUJD,CYBMUJFWSA,N,3'-Monoiodo-L-thyronine 4'-O-sulfate,HPQMRLCNKPMUJD-CYBMUJFWSA-N
HMDB60077,326.100167552,C15H18O8,OC[C@H]1O[C@@H](OC2=CC=CC=C2\C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5-/t10-,12-,13+,14-,15-/m1/s1",GVRIYIMNJGULCZ,QLFWQTQQSA,N,cis-beta-D-Glucosyl-2-hydroxycinnamate,GVRIYIMNJGULCZ-QLFWQTQQSA-N
HMDB60079,566.055020376,C15H24N2O17P2,OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1",HSCJRCZFDFQWRP,JZMIEXBBSA,N,"[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate",HSCJRCZFDFQWRP-JZMIEXBBSA-N
HMDB60080,362.170253222,C16H22N6O4,[H][C@@](CC1=CN=CN1)(NC(=O)[C@]1([H])CCC(=O)N1)C(=O)N1CCC[C@@]1([H])C(N)=O,"InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1",XNSAINXGIQZQOO,SRVKXCTJSA,N,Thyrotropin releasing hormone,XNSAINXGIQZQOO-SRVKXCTJSA-N
HMDB60081,546.065191132,C16H24N2O15P2,C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@@H](O)C1=O,"InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12+,13-,15-/m1/s1",PSXWNITXWWECNY,UCBTUHGZSA,N,dTDP-4-dehydro-6-deoxy-alpha-D-glucose,PSXWNITXWWECNY-UCBTUHGZSA-N
HMDB60084,286.15689457,C18H22O3,C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C(=O)C=C34)[C@H]1CC[C@@H]2O,"InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,21H,2-7H2,1H3/t11-,12+,14-,17+,18+/m1/s1",LBSRSXWOMYPVBY,LRDWQAQRSA,N,"17beta-Estradiol-2,3-quinone",LBSRSXWOMYPVBY-LRDWQAQRSA-N
HMDB60085,286.15689457,C18H22O3,C[C@]12CC[C@@H]3[C@H](CCC4=C3C=CC(=O)C4=O)[C@H]1CC[C@@H]2O,"InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,16-,18-/m0/s1",XVPUMLOTNZVTSL,BLNOFITASA,N,"17beta-Estradiol-3,4-quinone",XVPUMLOTNZVTSL-BLNOFITASA-N
HMDB60086,456.131484454,C18H24N4O8S,N[C@H](CCC(O)=N[C@@H](CSC1=C2CCNC2=CC(O)=C1O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C18H24N4O8S/c19-9(18(29)30)1-2-13(24)22-11(17(28)21-6-14(25)26)7-31-16-8-3-4-20-10(8)5-12(23)15(16)27/h5,9,11,20,23,27H,1-4,6-7,19H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/t9-,11+/m1/s1",OWLBFEJNNSEXED,KOLCDFICSA,N,5-S-Glutathionyl-aminochrome reduced,OWLBFEJNNSEXED-KOLCDFICSA-N
HMDB60088,300.172544634,C19H24O3,COC1=C(O)C=CC2=C1CC[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21,"InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19-/m1/s1",PUEXVLNGOBYUEW,PITQQHRWSA,N,4-Methoxyestrone,PUEXVLNGOBYUEW-PITQQHRWSA-N
HMDB60089,304.203844762,C19H28O3,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CC[C@@H]2O,"InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1",YLTCTXBDDHSLCS,KOUJMVCDSA,N,w Hydroxy testosterone,YLTCTXBDDHSLCS-KOUJMVCDSA-N
HMDB60090,268.088815006,C20H12O,O1C2C=CC3=C(C12)C1=C2C(C=CC4=C2C(C=C1)=CC=C4)=C3,"InChI=1S/C20H12O/c1-2-11-4-5-13-10-14-7-9-16-20(21-16)19(14)15-8-6-12(3-1)17(11)18(13)15/h1-10,16,20H",GOEJUYABKOTLJA,UHFFFAOYSA,N,"Benzo[a]pyrene-9,10-oxide",GOEJUYABKOTLJA-UHFFFAOYSA-N
HMDB60091,268.088815006,C20H12O,O1C2C1C1=CC3=CC=CC=C3C3=C1C1=C(C=CC=C21)C=C3,"InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H",XGZQLNASOQVQTD,UHFFFAOYSA,N,"Benzo[a]pyrene-4,5-oxide",XGZQLNASOQVQTD-UHFFFAOYSA-N
HMDB60092,298.193280076,C20H26O2,C\C(\C=C\C1=C(C)C=CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,"InChI=1S/C20H26O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6-12,14H,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+",SYESMXTWOAQFET,YCNIQYBTSA,N,"all-trans-3,4-Didehydroretinoate",SYESMXTWOAQFET-YCNIQYBTSA-N
HMDB60093,316.203844762,C20H28O3,C\C(\C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C(/C)=C/C(O)=O,"InChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/b9-6+,13-10+,15-8+,16-14+",KEEHJLBAOLGBJZ,WEDZBJJJSA,N,"rac-5,6-Epoxy-retinoate",KEEHJLBAOLGBJZ-WEDZBJJJSA-N
HMDB60094,348.193674006,C20H28O5,O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/C(=O)C\C=C/CCCCC=O,"InChI=1S/C20H28O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17,19,23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t19-/m1/s1",CPTWPKCLDUXOKW,RBQYXHKQSA,N,"12,20-Dioxo-leukotriene B4",CPTWPKCLDUXOKW-RBQYXHKQSA-N
HMDB60095,334.214409448,C20H30O4,CCCCC[C@H](O)\C=C\C1=CCC(=O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-,18+/m0/s1",CMBOTAQMTNMTBD,KLASNZEFSA,N,Prostaglandin-c2,CMBOTAQMTNMTBD-KLASNZEFSA-N
HMDB60096,350.20932407,C20H30O5,CC[C@@H](O)\C=C\C=C/C[C@H](O)\C=C\C=C/C=C/[C@H](O)CCCC(O)=O,"InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3-,9-5-,11-8+,12-6+,13-7+/t17-,18-,19+/m1/s1",AOPOCGPBAIARAV,OSEJDTMESA,N,"5,12,18R-TriHEPE",AOPOCGPBAIARAV-OSEJDTMESA-N
HMDB60098,335.22223448,C20H31O4,CCCCC\C=C/C\C=C/CC(O[O])\C=C\C=C/CCCC(O)=O,"InChI=1S/C20H31O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/b7-6-,11-9-,13-10-,17-14+",LUNSZADIOHDKBX,OIZRIKEUSA,N,"9-peroxy-5Z,7E,11Z,14Z-eicosatetraenoate",LUNSZADIOHDKBX-OIZRIKEUSA-N
HMDB60099,335.22223448,C20H31O4,CCCCC\C=C/C=C/C(C\C=C/C\C=C/CCCC(O)=O)O[O],"InChI=1S/C20H31O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b9-6-,10-7-,14-11-,16-13+",CUVDHYYMVDOGDE,RLZWZWKOSA,N,"11-peroxy-5Z,8Z,12E,14Z-eicosatetraenoate",CUVDHYYMVDOGDE-RLZWZWKOSA-N
HMDB60101,320.23514489,C20H32O3,CCCCC\C=C/C\C(O)=C/C\C=C/C\C=C\CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,17,21H,2-6,12,14-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,19-17+",HVRRTPWRYUQZPF,RMOYYRCGSA,N,12 Hydroxy arachidonic acid,HVRRTPWRYUQZPF-RMOYYRCGSA-N
HMDB60102,304.240230268,C20H32O2,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-",YZXBAPSDXZZRGB,DOFZRALJSA,N,Arachidonate,YZXBAPSDXZZRGB-DOFZRALJSA-N
HMDB60103,336.230059512,C20H32O4,CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C/CCCC(O)=O)CCC1=O,"InChI=1S/C20H32O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,14,16-17,21H,2-3,5-6,8-13,15H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1",JTEYGOLPGOYFJI,GJGHEGAFSA,N,9-Deoxy-delta12-PGD2,JTEYGOLPGOYFJI-GJGHEGAFSA-N
HMDB60104,336.230059512,C20H32O4,CCCCC[C@H](O)\C=C\C1=CCC(=O)[C@@H]1CCCCCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)/b14-12+/t17-,18+/m0/s1",PUIBPGHAXSCVRF,QHFGJBOXSA,N,Prostaglandin C1,PUIBPGHAXSCVRF-QHFGJBOXSA-N
HMDB60105,336.230059512,C20H32O4,OCCCCC\C=C/CC(O)\C=C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)/b4-2-,7-3-,12-8-,15-11+",NUPDGIJXOAHJRW,LNESKJDXSA,N,"12,20-DiHETE",NUPDGIJXOAHJRW-LNESKJDXSA-N
HMDB60106,338.245709576,C20H34O4,CCCCCC(OO)\C=C\C=C/C\C=C/CCCCCCC(O)=O,"InChI=1S/C20H34O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,9,11,14,17,19,23H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,11-9-,17-14+",IUXBNSNRPLXHER,RHDCIPCHSA,N,"15-Hydroperoxyeicosa-8Z,11Z,13E-trienoate",IUXBNSNRPLXHER-RHDCIPCHSA-N
HMDB60107,354.240624198,C20H34O5,CCCCC\C=C/C[C@@H](O)[C@H](O)\C=C\[C@H](O)C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17-,18-,19-/m1/s1",WPLPEZUSILBTGP,WHKAPZRYSA,N,"(5Z,9E,12S,14Z)-8,11,12-Trihydroxyicosa-5,9,14-trienoate",WPLPEZUSILBTGP-WHKAPZRYSA-N
HMDB60108,450.19362653,C20H36O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/COP(O)(=O)OP(O)(O)=O,"InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15-",OINNEUNVOZHBOX,KWBDAJKESA,N,"2-cis,6-trans,10-trans-Geranylgeranyl diphosphate",OINNEUNVOZHBOX-KWBDAJKESA-N
HMDB60110,700.925482737,C21H21I2NO10,N[C@H](CC1=CC=C(OC2=CC(I)=C(O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@@H]3O)C(O)=O)C(I)=C2)C=C1)C(O)=O,"InChI=1S/C21H21I2NO10/c22-11-6-10(32-9-3-1-8(2-4-9)5-13(24)19(28)29)7-12(23)17(11)33-21-16(27)14(25)15(26)18(34-21)20(30)31/h1-4,6-7,13-16,18,21,25-27H,5,24H2,(H,28,29)(H,30,31)/t13-,14+,15-,16+,18+,21-/m1/s1",YRBUOLMYUUYBEK,YIISYXSVSA,N,"3',5'-Diiodo-L-thyronine-beta-D-glucuronoside",YRBUOLMYUUYBEK-YIISYXSVSA-N
HMDB60112,344.23514489,C22H32O3,CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(O)CCC1(C)C,"InChI=1S/C22H32O3/c1-16(8-7-9-17(2)13-15-25-19(4)23)10-11-20-18(3)21(24)12-14-22(20,5)6/h7-11,13,21,24H,12,14-15H2,1-6H3/b9-7+,11-10+,16-8+,17-13+",ULTPFVHSYYJYAE,BRMLSVPOSA,N,4-Hydroxy-all-trans-retinyl acetate,ULTPFVHSYYJYAE-BRMLSVPOSA-N
HMDB60114,358.250794954,C23H34O3,C[C@@H](CC=O)[C@@H]1CC[C@@H]2\C(CCC[C@@]12C)=C\C=C1/C[C@@H](O)C[C@@H](O)C1=C,"InChI=1S/C23H34O3/c1-15(10-12-24)20-8-9-21-17(5-4-11-23(20,21)3)6-7-18-13-19(25)14-22(26)16(18)2/h6-7,12,15,19-22,25-26H,2,4-5,8-11,13-14H2,1,3H3/b17-6+,18-7+/t15-,19+,20-,21+,22+,23-/m0/s1",AOVGFTJYESGAEA,ZSCXDZJGSA,N,"24,25,26,27-Tetranor-23-oxo-hydroxyvitamin D3",AOVGFTJYESGAEA-ZSCXDZJGSA-N
HMDB60116,302.109550448,C24H14,C1=CC=C2C(=C1)C=C1C=CC3=C4C(=CC=C3)C3=CC=CC=C3C2=C14,InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H,JNTHRSHGARDABO,UHFFFAOYSA,N,"Dibenzo[a,l]pyrene",JNTHRSHGARDABO-UHFFFAOYSA-N
HMDB60117,356.271530396,C24H36O2,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C\CCCCCC(O)=O,"InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-18H,2,5,8,11,14,19-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17-",RFKXDFPDYHBCRC,JGDWKEERSA,N,"Tetracosahexaenoic acid, n-3",RFKXDFPDYHBCRC-JGDWKEERSA-N
HMDB60118,490.277797564,C24H42O10,CCCCC[C@H](O)[C@H](C\C=C/CCCCCCCC(O)=O)O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C24H42O10/c1-2-3-10-13-16(25)17(14-11-8-6-4-5-7-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/b11-8-/t16-,17-,19-,20+,21-,22-,24-/m0/s1",WDJRXGFYLUIKBX,GRIBZEQKSA,N,12-Hydroxy-13-O-D-glucuronoside-octadec-9Z-enoate,WDJRXGFYLUIKBX-GRIBZEQKSA-N
HMDB60119,490.277797564,C24H42O10,CCCCC[C@@H](O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)C\C=C/CCCCCCCC(O)=O,"InChI=1S/C24H42O10/c1-2-3-10-14-17(33-24-21(30)19(28)20(29)22(34-24)23(31)32)16(25)13-11-8-6-4-5-7-9-12-15-18(26)27/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/b11-8-/t16-,17-,19-,20+,21-,22-,24-/m1/s1",ZWDYIYOIBZOENK,YZGJGUBNSA,N,12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate,ZWDYIYOIBZOENK-YZGJGUBNSA-N
HMDB60120,490.277797564,C24H42O10,CCCCC\C=C/C[C@@H](O)[C@@H](CCCCCCCC(O)=O)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C24H42O10/c1-2-3-4-5-7-10-13-16(25)17(14-11-8-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h7,10,16-17,19-22,24-25,28-30H,2-6,8-9,11-15H2,1H3,(H,26,27)(H,31,32)/b10-7-/t16-,17-,19-,20+,21-,22-,24-/m1/s1",IRADJQUIAYBZPY,WKVBQAANSA,N,10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide,IRADJQUIAYBZPY-WKVBQAANSA-N
HMDB60121,490.277797564,C24H42O10,CCCCC\C=C/C[C@H](O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)C(O)=O)[C@@H](O)CCCCCCCC(O)=O,"InChI=1S/C24H42O10/c1-2-3-4-5-8-11-14-17(16(25)13-10-7-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/b11-8-/t16-,17-,19-,20+,21-,22-,24-/m0/s1",OERHNMHLKBHOMH,GRIBZEQKSA,N,9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate,OERHNMHLKBHOMH-GRIBZEQKSA-N
HMDB60122,490.220282686,C26H34O9,C\C(\C=C\C1=C(C)CCC(=O)C1(C)C)=C\C=C\C(\C)=C\C(=O)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C26H34O9/c1-14(9-11-17-16(3)10-12-18(27)26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-9,11,13,20-23,25,29-31H,10,12H2,1-5H3,(H,32,33)/b8-6+,11-9+,14-7-,15-13+/t20-,21+,22-,23-,25-/m1/s1",XEIKLAKHCVSUMR,CAHRZYSUSA,N,4-Oxo-9-cis-retinoyl-beta-glucuronide,XEIKLAKHCVSUMR-CAHRZYSUSA-N
HMDB60123,492.23593275,C26H36O9,C\C(\C=C\[C@]12O[C@]1(C)CCCC2(C)C)=C/C=C/C(/C)=C/C(=O)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C26H36O9/c1-15(10-13-26-24(3,4)11-7-12-25(26,5)35-26)8-6-9-16(2)14-17(27)33-23-20(30)18(28)19(29)21(34-23)22(31)32/h6,8-10,13-14,18-21,23,28-30H,7,11-12H2,1-5H3,(H,31,32)/b9-6+,13-10+,15-8+,16-14+/t18-,19+,20-,21-,23-,25-,26-/m1/s1",BZPOQLONXBJGAZ,XSHYMXFSSA,N,"rac-5,6-Epoxy-retinoyl-beta-D-glucuronide",BZPOQLONXBJGAZ-XSHYMXFSSA-N
HMDB60124,879.131252359,C26H40N7O19P3S,C\C(=C/C(O)=O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C26H40N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14,18-20,24,37-38H,4-7,9-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b13-8+/t14-,18-,19-,20+,24-/m1/s1",LVBVWNJPMXCQJE,CBBDEUQJSA,N,Mesaconyl-CoA,LVBVWNJPMXCQJE-CBBDEUQJSA-N
HMDB60126,428.292659768,C27H40O4,C[C@H](C[C@@H]1C[C@@](C)(O)C(=O)O1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@H](O)CCC1=C,"InChI=1S/C27H40O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-24,28,30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9+/t18-,21-,22-,23-,24+,26-,27-/m1/s1",IJNDMZIDDKVXHR,MYEQSZOMSA,N,"25-Hydroxyvitamin D3-26,23-lactone",IJNDMZIDDKVXHR-MYEQSZOMSA-N
HMDB60127,430.308309832,C27H42O4,C[C@H](C[C@@H]1C[C@@](C)(O)[C@H](O)O1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@H](O)CCC1=C,"InChI=1S/C27H42O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-25,28-30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9+/t18-,21-,22-,23-,24+,25-,26-,27-/m1/s1",SFOPTSUKUQDFIB,LSTZBGQISA,N,"25-Hydroxyvitamin D3-26,23-lactol",SFOPTSUKUQDFIB-LSTZBGQISA-N
HMDB60128,430.308309832,C27H42O4,C[C@H](CCC(=O)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C27H42O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-24,28-29,31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10+/t17-,21-,22-,23+,24+,27-/m1/s1",BWFQMABKLLTETH,UZEGMWDYSA,N,"24-Oxo-1alpha,25-dihydroxyvitamin D3",BWFQMABKLLTETH-UZEGMWDYSA-N
HMDB60129,446.303224454,C27H42O5,C[C@H](C[C@@H](O)C(=O)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C27H42O5/c1-16(13-24(30)25(31)26(3,4)32)21-10-11-22-18(7-6-12-27(21,22)5)8-9-19-14-20(28)15-23(29)17(19)2/h8-9,16,20-24,28-30,32H,2,6-7,10-15H2,1,3-5H3/b18-8+,19-9+/t16-,20-,21-,22+,23+,24-,27-/m1/s1",ARRIBDAUGOLZSJ,VWPGOWEMSA,N,"24-Oxo-1alpha,23,25-trihydroxyvitamin D3",ARRIBDAUGOLZSJ-VWPGOWEMSA-N
HMDB60130,879.167637865,C27H44N7O18P3S,CC(C)C(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C27H44N7O18P3S/c1-14(2)15(35)9-18(37)56-8-7-29-17(36)5-6-30-25(40)22(39)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-21(51-53(41,42)43)20(38)26(50-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-14,16,20-22,26,38-39H,5-11H2,1-4H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t16-,20+,21+,22-,26-/m0/s1",NVBSRDSMDMDKDD,UNJBKMQWSA,N,3-Oxo-4-methyl-pentanoyl-CoA,NVBSRDSMDMDKDD-UNJBKMQWSA-N
HMDB60131,400.334130652,C27H44O2,C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C=O,"InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t18-,19-,21+,22-,23-,24-,25-,26+,27-/m1/s1",JUGXQEJPWDYOJV,CYDOCGOVSA,N,3beta-Hydroxy-5-cholestenal,JUGXQEJPWDYOJV-CYDOCGOVSA-N
HMDB60132,400.334130652,C27H44O2,C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3,"InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21,23-24,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,23-,24-,26+,27-/m1/s1",WGJXMUYDCGMVJH,VGABTXQKSA,N,27alpha-Hydroxy-8-dehydrocholesterol,WGJXMUYDCGMVJH-VGABTXQKSA-N
HMDB60133,416.329045274,C27H44O3,C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C,"InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11+/t19-,22+,23-,24+,25-,27-/m1/s1",FCKJYANJHNLEEP,QJQBGXGLSA,N,"(24R)-24,25-Dihydroxycalciol",FCKJYANJHNLEEP-QJQBGXGLSA-N
HMDB60134,432.323959896,C27H44O4,C[C@H](C[C@H](O)C[C@@](C)(O)CO)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C,"InChI=1S/C27H44O4/c1-18-7-10-22(29)15-21(18)9-8-20-6-5-13-27(4)24(11-12-25(20)27)19(2)14-23(30)16-26(3,31)17-28/h8-9,19,22-25,28-31H,1,5-7,10-17H2,2-4H3/b20-8+,21-9+/t19-,22+,23+,24-,25+,26-,27-/m1/s1",GDIBDBUYVICGLY,SAJDXCSNSA,N,"23S,25,26-Trihydroxyvitamin D3",GDIBDBUYVICGLY-SAJDXCSNSA-N
HMDB60135,881.183287929,C27H46N7O18P3S,CC(C)[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C27H46N7O18P3S/c1-14(2)15(35)9-18(37)56-8-7-29-17(36)5-6-30-25(40)22(39)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-21(51-53(41,42)43)20(38)26(50-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-16,20-22,26,35,38-39H,5-11H2,1-4H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16+,20-,21-,22-,26+/m1/s1",FVDISPKCRAHPBJ,VDXNMNPRSA,N,3(S)-Hydroxy-4-methyl-pentanoyl-CoA,FVDISPKCRAHPBJ-VDXNMNPRSA-N
HMDB60136,418.344695338,C27H46O3,CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1",ZNCHPOYZMVVJCK,LIZWOPGQSA,N,"(24S)-7alpha,24-Dihydroxycholesterol",ZNCHPOYZMVVJCK-LIZWOPGQSA-N
HMDB60137,450.334524582,C27H46O5,C[C@H](CCC(=O)C(C)(C)O)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@]12C,"InChI=1S/C27H46O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-21,23-24,28-29,31-32H,6-14H2,1-5H3/t15-,16-,17+,18-,19-,20-,21+,23-,24-,26-,27-/m1/s1",CFVCOEMVLNMDAX,AHYZLEOVSA,N,"3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestane-24-one",CFVCOEMVLNMDAX-AHYZLEOVSA-N
HMDB60138,420.360345402,C27H48O3,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C,"InChI=1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,26-,27-/m1/s1",UROPIWALBBMYRP,GWEYAUKASA,N,"5beta-Cholestane-3alpha,7alpha,27-triol",UROPIWALBBMYRP-GWEYAUKASA-N
HMDB60139,593.240700551,C28H39N3O9S,C[C@]12CC[C@@H]3[C@H](CCC4=C(O)C(O)=C(SC[C@H](N=C(O)CC[C@H](N)C(O)=O)C(O)=NCC(O)=O)C=C34)[C@H]1CC[C@@H]2O,"InChI=1S/C28H39N3O9S/c1-28-9-8-13-14(17(28)4-6-21(28)32)2-3-15-16(13)10-20(25(37)24(15)36)41-12-19(26(38)30-11-23(34)35)31-22(33)7-5-18(29)27(39)40/h10,13-14,17-19,21,32,36-37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,33)(H,34,35)(H,39,40)/t13-,14+,17-,18+,19+,21+,28+/m1/s1",ARFSXJIGVSWGDY,AGFNSGRBSA,N,4-Hydroxy-17beta-estradiol-2-S-glutathione,ARFSXJIGVSWGDY-AGFNSGRBSA-N
HMDB60140,887.136337737,C28H40N7O18P3S,CC(C)(CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=C(O)C=C1,"InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1",LTVXPVBFJBTNIJ,TYHXJLICSA,N,4-Hydroxybenoyl-CoA,LTVXPVBFJBTNIJ-TYHXJLICSA-N
HMDB60141,520.267232878,C28H40O9,CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)[C@@H](CCC1(C)C)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O,"InChI=1S/C28H40O9/c1-16(8-7-9-17(2)13-15-35-19(4)29)10-11-20-18(3)21(12-14-28(20,5)6)36-27-24(32)22(30)23(31)25(37-27)26(33)34/h7-11,13,21-25,27,30-32H,12,14-15H2,1-6H3,(H,33,34)/b9-7+,11-10+,16-8+,17-13+/t21-,22-,23+,24-,25-,27-/m1/s1",LFXATGINAILLFU,BSJULFBXSA,N,rac-4-Hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl acetate,LFXATGINAILLFU-BSJULFBXSA-N
HMDB60142,396.33921603,C28H44O,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@H](C)[C@H]1CC3,"InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20-,22-,23-,24-,27-,28+/m1/s1",DBPZYKHQDWKORQ,QUKNFXNKSA,N,4-Methylzymosterol intermediate 2,DBPZYKHQDWKORQ-QUKNFXNKSA-N
HMDB60143,432.360345402,C28H48O3,CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@]1(C)CCC2=CC(=O)C(C)=C(C)[C@]2(O)O1,"InChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-27(7)18-16-25-19-26(29)23(5)24(6)28(25,30)31-27/h19-22,30H,8-18H2,1-7H3/t21-,22-,27-,28-/m0/s1",CSHBKBJSGSRKLB,MPPVQRIUSA,N,8alpha-Hydroxy-gama-tocopherone,CSHBKBJSGSRKLB-MPPVQRIUSA-N
HMDB60144,603.290427935,C29H41N5O9,CC(C)[C@H](N=C(O)[C@H]1CCCN1C(=O)[C@H](N)CC1=CC=C(O)C=C1)C(O)=N[C@H](CCC(O)=O)C(=O)N1CCC[C@@H]1C(O)=O,"InChI=1S/C29H41N5O9/c1-16(2)24(26(39)31-20(11-12-23(36)37)28(41)34-14-4-6-22(34)29(42)43)32-25(38)21-5-3-13-33(21)27(40)19(30)15-17-7-9-18(35)10-8-17/h7-10,16,19-22,24,35H,3-6,11-15,30H2,1-2H3,(H,31,39)(H,32,38)(H,36,37)(H,42,43)/t19-,20-,21-,22-,24+/m1/s1",WRNQQFNBEUKAAX,MOGNJTFLSA,N,Neocasomorphin (1-5),WRNQQFNBEUKAAX-MOGNJTFLSA-N
HMDB60145,423.32630562,C29H43O2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=C(C)C(=O)C(C)=C(C)[C]2O1,"InChI=1S/C29H43O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+",LALWPXWRMGORIU,KTWAZNHYSA,N,alpha-Tocotrienoxyl radical,LALWPXWRMGORIU-KTWAZNHYSA-N
HMDB60146,442.344695338,C29H46O3,C[C@@H](CCC=C(C)C)[C@@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)([C@H]1CC3)C(O)=O,"InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21-,22-,24-,25-,27+,28+,29-/m0/s1",MYWAIWDQTCHPTH,VBLXKELWSA,N,4-Methylzymosterol intermediate 1,MYWAIWDQTCHPTH-VBLXKELWSA-N
HMDB60147,412.370516158,C29H48O,CC(C)CCC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3,"InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h13,19-20,22,25-26,30H,8-12,14-18H2,1-7H3/t20-,22-,25-,26+,28-,29-/m0/s1",OGQJUYXFIOFTMA,RNDGVDNBSA,N,"4,4-Dimethylcholesta-8(9),14-dien-3beta-ol",OGQJUYXFIOFTMA-RNDGVDNBSA-N
HMDB60153,913.151987801,C30H42N7O18P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CC1=CC=C(O)C=C1,"InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/m1/s1",DMZOKBALNZWDKI,FUEUKBNZSA,N,4-Coumaroyl-CoA,DMZOKBALNZWDKI-FUEUKBNZSA-N
HMDB60154,641.298215429,C30H47N3O10S,CCCCC\C=C/CC(=O)C\C=C\C=C\[C@H](SC[C@@H](N=C(O)CC[C@@H](N)C(O)=O)C(O)=NCC(O)=O)[C@H](O)CCCC(O)=O,"InChI=1S/C30H47N3O10S/c1-2-3-4-5-6-8-12-21(34)13-9-7-10-15-25(24(35)14-11-16-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-17-22(31)30(42)43/h6-10,15,22-25,35H,2-5,11-14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b8-6-,9-7+,15-10+/t22-,23-,24-,25+/m1/s1",ZFHPYBQKHVEFHO,LECUDPRGSA,N,12-Oxo-c-LTB3,ZFHPYBQKHVEFHO-LECUDPRGSA-N
HMDB60155,643.313865493,C30H49N3O10S,CCCCC\C=C/C[C@H](O)C\C=C\C=C\[C@@H](SC[C@H](N=C(O)CC[C@@H](N)C(O)=O)C(O)=NCC(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C30H49N3O10S/c1-2-3-4-5-6-8-12-21(34)13-9-7-10-15-25(24(35)14-11-16-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-17-22(31)30(42)43/h6-10,15,21-25,34-35H,2-5,11-14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b8-6-,9-7+,15-10+/t21-,22+,23-,24-,25+/m0/s1",GULYHEJDDHEDJT,BVLKIJLXSA,N,"10,11-Dihydro-12R-hydroxy-leukotriene C4",GULYHEJDDHEDJT-BVLKIJLXSA-N
HMDB60156,921.214588057,C30H50N7O18P3S,CC(C)CCC(=O)[C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C30H50N7O18P3S/c1-16(2)6-7-18(38)17(3)29(43)59-11-10-32-20(39)8-9-33-27(42)24(41)30(4,5)13-52-58(49,50)55-57(47,48)51-12-19-23(54-56(44,45)46)22(40)28(53-19)37-15-36-21-25(31)34-14-35-26(21)37/h14-17,19,22-24,28,40-41H,6-13H2,1-5H3,(H,32,39)(H,33,42)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t17-,19+,22-,23-,24-,28+/m1/s1",RVEAGMLBRLLBNX,HWTJIFIXSA,N,3-oxo-(2S)-Methylisocapryloyl-CoA,RVEAGMLBRLLBNX-HWTJIFIXSA-N
HMDB60157,923.230238121,C30H52N7O18P3S,CC(C)CC[C@H](O)[C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C30H52N7O18P3S/c1-16(2)6-7-18(38)17(3)29(43)59-11-10-32-20(39)8-9-33-27(42)24(41)30(4,5)13-52-58(49,50)55-57(47,48)51-12-19-23(54-56(44,45)46)22(40)28(53-19)37-15-36-21-25(31)34-14-35-26(21)37/h14-19,22-24,28,38,40-41H,6-13H2,1-5H3,(H,32,39)(H,33,42)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t17-,18+,19+,22-,23-,24-,28+/m1/s1",YAVFKXHHHJEEQF,IOYVKGSKSA,N,"3(S)-Hydroxy-2(S),6-dimethyl-heptanoyl-CoA",YAVFKXHHHJEEQF-IOYVKGSKSA-N
HMDB60158,503.397459189,C31H53NO4,CCCCCC=CCC=CCC=CCC=CCCCCCCCC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C31H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h9-10,12-13,15-16,18-19,29H,5-8,11,14,17,20-28H2,1-4H3/t29-/m0/s1",OVCKQONNZPULLZ,LJAQVGFWSA,N,Tetracosatetraenoyl carnitine,OVCKQONNZPULLZ-LJAQVGFWSA-N
HMDB60159,469.298079497,C32H39NO2,CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3",MJJALKDDGIKVBE,UHFFFAOYSA,N,Ebastine,MJJALKDDGIKVBE-UHFFFAOYSA-N
HMDB60160,949.245888185,C32H54N7O18P3S,CC(C)CCC[C@@H](C)C(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C32H54N7O18P3S/c1-18(2)7-6-8-19(3)20(40)13-23(42)61-12-11-34-22(41)9-10-35-30(45)27(44)32(4,5)15-54-60(51,52)57-59(49,50)53-14-21-26(56-58(46,47)48)25(43)31(55-21)39-17-38-24-28(33)36-16-37-29(24)39/h16-19,21,25-27,31,43-44H,6-15H2,1-5H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/t19-,21+,25-,26-,27-,31+/m1/s1",YMYLLQAUKBJHAS,RMJAONIFSA,N,"3-Oxo-4(R),8-dimethyl-nonanoyl-CoA",YMYLLQAUKBJHAS-RMJAONIFSA-N
HMDB60161,951.261538249,C32H56N7O18P3S,CC(C)CCC[C@@H](C)[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C32H56N7O18P3S/c1-18(2)7-6-8-19(3)20(40)13-23(42)61-12-11-34-22(41)9-10-35-30(45)27(44)32(4,5)15-54-60(51,52)57-59(49,50)53-14-21-26(56-58(46,47)48)25(43)31(55-21)39-17-38-24-28(33)36-16-37-29(24)39/h16-21,25-27,31,40,43-44H,6-15H2,1-5H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/t19-,20-,21+,25-,26-,27-,31+/m1/s1",AGRBRZWAKOHMRQ,PWLNTODLSA,N,"3(S)-Hydroxy-4(R),8-dimethyl-nonanoyl-CoA",AGRBRZWAKOHMRQ-PWLNTODLSA-N
HMDB60164,716.374491914,C35H52N6O10,CC[C@H](C)[C@H](N=C(O)[C@H]1CCCN1C(=O)[C@@H](CCC(O)=O)N=C(O)[C@@H](N=C(O)[C@H]1CCCN1C(=O)[C@H](N)CC1=CC=C(O)C=C1)C(C)C)C(O)=O,"InChI=1S/C35H52N6O10/c1-5-20(4)29(35(50)51)39-31(46)26-9-7-17-41(26)34(49)24(14-15-27(43)44)37-32(47)28(19(2)3)38-30(45)25-8-6-16-40(25)33(48)23(36)18-21-10-12-22(42)13-11-21/h10-13,19-20,23-26,28-29,42H,5-9,14-18,36H2,1-4H3,(H,37,47)(H,38,45)(H,39,46)(H,43,44)(H,50,51)/t20-,23+,24+,25+,26+,28-,29-/m0/s1",OFSHRWCWYJBWJP,CMAHKSKVSA,N,Neocasomorphin,OFSHRWCWYJBWJP-CMAHKSKVSA-N
HMDB60165,991.329223883,C36H64N7O17P3S,CCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h23-25,29-31,35,46-47H,4-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t25-,29-,30-,31+,35-/m0/s1",VLBCUOVMSMAIJC,XYCQRFKUSA,N,Pentadecanoyl Coenzyme A,VLBCUOVMSMAIJC-XYCQRFKUSA-N
HMDB60166,1001.313573819,C37H62N7O17P3S,CCCCCC\C=C/CCCCC\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,16-17,24-26,30-32,36,47-48H,4-8,11-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-,17-16+/t26-,30+,31+,32-,36-/m0/s1",BEQWCBBSKHMRCA,LQTMVLMDSA,N,"trans,cis-Hexadeca-2,9-dienoyl-CoA",BEQWCBBSKHMRCA-LQTMVLMDSA-N
HMDB60167,1005.344873947,C37H66N7O17P3S,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C37H66N7O17P3S/c1-23(2)9-7-10-24(3)11-8-12-25(4)13-14-28(46)65-18-17-39-27(45)15-16-40-35(49)32(48)37(5,6)20-58-64(55,56)61-63(53,54)57-19-26-31(60-62(50,51)52)30(47)36(59-26)44-22-43-29-33(38)41-21-42-34(29)44/h21-26,30-32,36,47-48H,7-20H2,1-6H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t24-,25-,26-,30-,31-,32+,36-/m1/s1",ZYUOZFCHODHLHG,RKBPBJGXSA,N,"4,8,12-Trimethyltridecanoyl-CoA",ZYUOZFCHODHLHG-RKBPBJGXSA-N
HMDB60168,750.35884185,C38H50N6O10,CC(C)[C@@H](N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@H]1CCCN1C(=O)[C@H](N)CC1=CC=C(O)C=C1)C(O)=N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C38H50N6O10/c1-22(2)32(35(50)40-27(16-17-31(46)47)37(52)44-19-7-11-30(44)38(53)54)42-33(48)28(21-23-8-4-3-5-9-23)41-34(49)29-10-6-18-43(29)36(51)26(39)20-24-12-14-25(45)15-13-24/h3-5,8-9,12-15,22,26-30,32,45H,6-7,10-11,16-21,39H2,1-2H3,(H,40,50)(H,41,49)(H,42,48)(H,46,47)(H,53,54)/t26-,27+,28+,29-,30+,32-/m1/s1",WUHXJZCLFYNVBB,QNLYJVETSA,N,beta-Casomorphin (1-6),WUHXJZCLFYNVBB-QNLYJVETSA-N
HMDB60169,760.295572892,C39H44N4O12,CC1=C(NC(CC2=C(CCC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(C)=C(N2)\C=C2/N=C(O)C(C)=C2C=C)=C1CCC(O)=O)\C=C1\N=C(O)C(C=C)=C1C,"InChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5)23(10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(51)42-26/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/b26-13+,27-14-/t32-,33-,34+,35-,39+/m0/s1",ARBDURHEPGRPSR,JTCNQIQHSA,N,Mono(glucosyluronic acid)bilirubin,ARBDURHEPGRPSR-JTCNQIQHSA-N
HMDB60170,1029.344873947,C39H66N7O17P3S,CCCCC\C=C\C\C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8+,12-11+",YECLLIMZHNYFCK,MVKOLZDDSA,N,Linoleic coenzyme A,YECLLIMZHNYFCK-MVKOLZDDSA-N
HMDB60173,155.034744325,C3H10NO4P,CNCCOP(O)(O)=O,"InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)",HZDCAHRLLXEQFY,UHFFFAOYSA,N,N-Methylethanolaminium phosphate,HZDCAHRLLXEQFY-UHFFFAOYSA-N
HMDB60176,169.988508614,C3H6O6S,O[C@H](CS(O)(=O)=O)C(O)=O,"InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m1/s1",CQQGIWJSICOUON,UWTATZPHSA,N,(S)-3-Sulfonatolactate,CQQGIWJSICOUON-UWTATZPHSA-N
HMDB60179,153.009578407,C3H7NO4S,N[C@@H](C[S@@](O)=O)C(O)=O,"InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1",ADVPTQAUNPRNPO,REOHCLBHSA,N,3-Sulfinato-L-alaninate,ADVPTQAUNPRNPO-REOHCLBHSA-N
HMDB60180,185.99293909,C3H7O7P,O[C@H](COP(O)(O)=O)C(O)=O,"InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",OSJPPGNTCRNQQC,UWTATZPHSA,N,(2R)-2-Hydroxy-3-(phosphonatooxy)propanoate,OSJPPGNTCRNQQC-UWTATZPHSA-N
HMDB60181,1061.371088697,C40H70N7O18P3S,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC(=O)[C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C40H70N7O18P3S/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-28(48)27(5)39(53)69-19-18-42-30(49)16-17-43-37(52)34(51)40(6,7)21-62-68(59,60)65-67(57,58)61-20-29-33(64-66(54,55)56)32(50)38(63-29)47-23-46-31-35(41)44-22-45-36(31)47/h22-27,29,32-34,38,50-51H,8-21H2,1-7H3,(H,42,49)(H,43,52)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/t25-,26-,27-,29-,32-,33-,34+,38-/m1/s1",NQFYRDGBRBDQQG,JJNGQNJBSA,N,3-Oxopristanoyl-CoA,NQFYRDGBRBDQQG-JJNGQNJBSA-N
HMDB60182,1047.391824139,C40H72N7O17P3S,CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/t26-,27-,28-,29-,32+,33+,34-,38-/m0/s1",XYJPSQPVCBNZHT,SCUPUGGFSA,N,(2S)-Pristanoyl-CoA,XYJPSQPVCBNZHT-SCUPUGGFSA-N
HMDB60183,1051.329223883,C41H64N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34+,35+,36-,40-/m0/s1",JWZLRYCDDXHXDL,RUOVTVBRSA,N,"Eicosa-5,8,11,14,17-all-cis-pentaenoyl-CoA",JWZLRYCDDXHXDL-RUOVTVBRSA-N
HMDB60184,1053.344873947,C41H66N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,28-30,34-36,40,51-52H,4,7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-/t30-,34-,35-,36-,40-/m1/s1",PLHICYKOPITJJT,SQQKTXSXSA,N,Eicosatetranoyl coenzyme A,PLHICYKOPITJJT-SQQKTXSXSA-N
HMDB60185,1055.360524011,C41H68N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,28-30,34-36,40,51-52H,4-7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1",FJWJALRUNNZIBB,DDQUOPDJSA,N,Dihomo-gamma-linolenyl coenzyme A,FJWJALRUNNZIBB-DDQUOPDJSA-N
HMDB60186,1055.360524011,C41H68N7O17P3S,CCCCC\C=C/C\C=C/CCCCCCC\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,20-21,28-30,34-36,40,51-52H,4-7,10,13-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,21-20+/t30-,34+,35+,36-,40-/m0/s1",JLHULLPFTGLIGF,ZHDAHOHXSA,N,"trans,cis,cis-2,11,14-Eicosatrienoyl-CoA",JLHULLPFTGLIGF-ZHDAHOHXSA-N
HMDB60187,1071.355438633,C41H68N7O18P3S,CCCCC\C=C/C\C=C/CCCCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C41H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-12,27-28,30,34-36,40,52-53H,4-7,10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b9-8-,12-11-/t30-,34+,35+,36-,40-/m0/s1",PUWDUOCPCWFEFG,ZYVAQYBGSA,N,"3-Oxoeicosa-cis,cis-11,14-dienoyl-CoA",PUWDUOCPCWFEFG-ZYVAQYBGSA-N
HMDB60188,1057.376174075,C41H70N7O17P3S,CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,28-30,34-36,40,51-52H,4-7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-/t30-,34+,35+,36-,40-/m0/s1",YCKYOUVXZZJCIU,ZYVAQYBGSA,N,"cis,cis-11,14-Eicosadienoyl-CoA",YCKYOUVXZZJCIU-ZYVAQYBGSA-N
HMDB60189,1073.371088697,C41H70N7O18P3S,CCCCC\C=C/C\C=C/CCCCCCC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-12,27-30,34-36,40,49,52-53H,4-7,10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b9-8-,12-11-/t29-,30-,34+,35+,36-,40-/m0/s1",MNTSLNSVZACNCX,KVSQTSFHSA,N,"(3S)-Hydroxy-eicosa-cis,cis-11,14-dienoyl-CoA",MNTSLNSVZACNCX-KVSQTSFHSA-N
HMDB60190,1075.386738761,C41H72N7O18P3S,CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t30-,34-,35-,36+,40-/m1/s1",FYBVHNZJDVUVLJ,IBYUJNRCSA,N,3-Oxoicosanoyl-CoA,FYBVHNZJDVUVLJ-IBYUJNRCSA-N
HMDB60191,1077.402388825,C41H74N7O18P3S,CCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-30,34-36,40,49,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t29-,30-,34-,35-,36+,40-/m1/s1",KNSVYMFEJLUJST,AFMYZWIISA,N,3-Hydroxyeicosanoyl-CoA,KNSVYMFEJLUJST-AFMYZWIISA-N
HMDB60192,592.451840483,C42H58NO,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C1=[N+](CCO)C=CC(\C=C/C=C(\C)/C=C/C2=C(C)CCCC2(C)C)=C1,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11-,22-20+,23-21+,32-14+,33-15+,34-30+",WPWFMRDPTDEJJA,CAODKSCQSA,N,iso-A2E(11-cis),WPWFMRDPTDEJJA-CAODKSCQSA-N
HMDB60193,592.451840483,C42H58NO,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C1=[N+](CCO)C=CC(\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)=C1,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30-",WPWFMRDPTDEJJA,HYQJUSHRSA,N,iso-A2E(13-cis),WPWFMRDPTDEJJA-HYQJUSHRSA-N
HMDB60194,592.451840483,C42H58NO,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C1=[N+](CCO)C=CC(\C=C\C=C(\C)/C=C/C2=C(C)CCCC2(C)C)=C1,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15-,34-30+",WPWFMRDPTDEJJA,SJQTWSFGSA,N,iso-A2E(9-cis),WPWFMRDPTDEJJA-SJQTWSFGSA-N
HMDB60195,592.451840483,C42H58NO,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C1=[N+](CCO)C=CC(\C=C\C=C(\C)/C=C/C2=C(C)CCCC2(C)C)=C1,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15-,34-30-",WPWFMRDPTDEJJA,SNUNIRQRSA,N,"iso-A2E(9,13-di-cis)",WPWFMRDPTDEJJA-SNUNIRQRSA-N
HMDB60196,592.451840483,C42H58NO,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C1=[N+](CCO)C=CC(\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)=C1,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30+",WPWFMRDPTDEJJA,FAXVYDRBSA,N,N-Retinylidene-N-retinylethanolamine,WPWFMRDPTDEJJA-FAXVYDRBSA-N
HMDB60197,1077.344873947,C43H66N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,22-23,30-32,36-38,42,53-54H,4,7,10,13,16,19-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,23-22+/t32-,36+,37+,38-,42-/m0/s1",HGVXUTAEZALTIG,CVHRNCLZSA,N,"2-trans-7,10,13,16,19-all-cis-Docosahexaenoyl-CoA",HGVXUTAEZALTIG-CVHRNCLZSA-N
HMDB60198,1077.344873947,C43H66N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38-,42-/m1/s1",MENFZXMQSYYVRK,JIVROJQDSA,N,Cervonyl coenzyme A,MENFZXMQSYYVRK-JIVROJQDSA-N
HMDB60199,1077.344873947,C43H66N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36+,37+,38-,42-/m0/s1",MENFZXMQSYYVRK,BZXSZLELSA,N,"Docosa-4,7,10,13,16,19-all-cis-hexaenoyl-CoA",MENFZXMQSYYVRK-BZXSZLELSA-N
HMDB60200,1093.339788569,C43H66N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36+,37+,38-,42-/m0/s1",SLYKKQSPRFJDAF,PNHDASEGSA,N,"3-Oxo-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA",SLYKKQSPRFJDAF-PNHDASEGSA-N
HMDB60201,1079.360524011,C43H68N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,22-23,30-32,36-38,42,53-54H,4,7,10,13,16-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,23-22+/t32-,36+,37+,38-,42-/m0/s1",YGPXPVHOFOFFGA,ZTZKHISVSA,N,"trans,cis,cis,cis,cis-2,10,13,16,19-Docosapentaenoyl-CoA",YGPXPVHOFOFFGA-ZTZKHISVSA-N
HMDB60202,1079.360524011,C43H68N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,22-23,30-32,36-38,42,53-54H,4-7,10,13,16,19-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17-,23-22+/t32-,36+,37+,38-,42-/m0/s1",XSIBQUOFLNIVEK,UNZYHRLESA,N,"2E,7Z,10Z,13Z,16Z-Docosapentaenoyl-CoA",XSIBQUOFLNIVEK-UNZYHRLESA-N
HMDB60203,1079.360524011,C43H68N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4-7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36+,37+,38-,42-/m0/s1",QKBTYZDPVNTERQ,RGZAVATQSA,N,Adrenoyl-CoA,QKBTYZDPVNTERQ-RGZAVATQSA-N
HMDB60204,1095.355438633,C43H68N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,29-30,32,36-38,42,54-55H,4,7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b6-5-,9-8-,12-11-,15-14-/t32-,36+,37+,38-,42-/m0/s1",MUBUSEARPWRSQN,XMTMOFKOSA,N,"3-Oxo-docosa-10,13,16,19-all-cis-tetraenoyl-CoA",MUBUSEARPWRSQN-XMTMOFKOSA-N
HMDB60205,1095.355438633,C43H68N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-32,36-38,42,51,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b6-5-,9-8-,12-11-,15-14-,18-17-/t31-,32-,36+,37+,38-,42-/m0/s1",KIDYDCLNVXONEF,DXMJZDBTSA,N,"3(S)-Hydroxy-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA",KIDYDCLNVXONEF-DXMJZDBTSA-N
HMDB60206,1095.355438633,C43H68N7O18P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4-7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b9-8-,12-11-,15-14-,18-17-/t32-,36+,37+,38-,42-/m0/s1",VMAJWSSWCPBIJY,XTVXXYAESA,N,"3-Oxo-docosa-7,10,13,16-all-cis-tetraenoyl-CoA",VMAJWSSWCPBIJY-XTVXXYAESA-N
HMDB60207,1081.376174075,C43H70N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,30-32,36-38,42,53-54H,4,7,10,13,16-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-/t32-,36+,37+,38-,42-/m0/s1",BEEQBBPNTYBGDP,XMTMOFKOSA,N,"all-cis-10,13,16,19-Docosatetraenoyl-CoA",BEEQBBPNTYBGDP-XMTMOFKOSA-N
HMDB60208,1081.376174075,C43H70N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4-7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38-,42-/m1/s1",LVXQCHCSSLFKLO,OHJALUBGSA,N,Adrenyl coenzyme A,LVXQCHCSSLFKLO-OHJALUBGSA-N
HMDB60209,1081.376174075,C43H70N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/CCCCCC\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,22-23,30-32,36-38,42,53-54H,4-7,10,13,16-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,23-22+/t32-,36+,37+,38-,42-/m0/s1",KFIUKMFBVDDVDZ,ARTVEORNSA,N,"trans,cis,cis,cis-2,10,13,16-Docosatetraenoyl-CoA",KFIUKMFBVDDVDZ-ARTVEORNSA-N
HMDB60210,1097.371088697,C43H70N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,29-32,36-38,42,51,54-55H,4,7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b6-5-,9-8-,12-11-,15-14-/t31-,32-,36+,37+,38-,42-/m0/s1",DALQBBQTVPOKDP,NEROYMAKSA,N,"3(S)-Hydroxy-docosa-10,13,16,19-all-cis-tetraenoyl-CoA",DALQBBQTVPOKDP-NEROYMAKSA-N
HMDB60211,1097.371088697,C43H70N7O18P3S,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,29-30,32,36-38,42,54-55H,4-7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b9-8-,12-11-,15-14-/t32-,36+,37+,38-,42-/m0/s1",GPKHWNMCLWDFOL,YYOOZTOSSA,N,"3-Oxo-docosa-cis,cis,cis-10,13,16-trienoyl-CoA",GPKHWNMCLWDFOL-YYOOZTOSSA-N
HMDB60212,1097.371088697,C43H70N7O18P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,17-18,29-32,36-38,42,51,54-55H,4-7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b9-8-,12-11-,15-14-,18-17-/t31-,32-,36+,37+,38-,42-/m0/s1",JHXLRLHTJYMVBK,QHMZZPIESA,N,"3(S)-Hydroxy-docosa-7,10,13,16-all-cis-tetraenoyl-CoA",JHXLRLHTJYMVBK-QHMZZPIESA-N
HMDB60213,1083.391824139,C43H72N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,30-32,36-38,42,53-54H,4-7,10,13,16-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-/t32-,36+,37+,38-,42-/m0/s1",NRFSUEZXHDEQRO,YYOOZTOSSA,N,"cis,cis,cis-10,13,16-Docosatrienoyl-CoA",NRFSUEZXHDEQRO-YYOOZTOSSA-N
HMDB60214,1099.386738761,C43H72N7O18P3S,CCCCC\C=C/C\C=C/C\C=C/CCCCCC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,29-32,36-38,42,51,54-55H,4-7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b9-8-,12-11-,15-14-/t31-,32-,36+,37+,38-,42-/m0/s1",SHYOGNDOVWXSLL,HYIOPBCUSA,N,"3(S)-Hydroxy-10,13,16-all-cis-docosatrienoyl-CoA",SHYOGNDOVWXSLL-HYIOPBCUSA-N
HMDB60215,1103.418038889,C43H76N7O18P3S,CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C43H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-30,32,36-38,42,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t32-,36-,37-,38+,42-/m1/s1",RKCOGGUHKPTOQJ,GNSUAQHMSA,N,3-Oxodocosanoyl-CoA,RKCOGGUHKPTOQJ-GNSUAQHMSA-N
HMDB60216,1105.433688953,C43H78N7O18P3S,CCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C43H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-32,36-38,42,51,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t31-,32-,36-,37-,38+,42-/m1/s1",VNJQSRVXTRJVAZ,ZUIQSSPPSA,N,3-Hydroxydocosanoyl-CoA,VNJQSRVXTRJVAZ-ZUIQSSPPSA-N
HMDB60217,1086.35264685,C44H54N12O21,N[C@H](CCC(=O)OC(=O)[C@](N(C(=O)CC[C@@H](N)C(O)=O)C(=O)C1=CC=C(NCC2=NC3=C(NC(=N)N=C3O)N=C2)C=C1)(C(=O)CC[C@@H](N)C(O)=O)C(CC(O)=O)(C(=O)CC[C@@H](N)C(O)=O)C(=O)CC[C@@H](N)C(O)=O)C(O)=O,"InChI=1S/C44H54N12O21/c45-21(36(66)67)5-10-26(57)43(15-30(61)62,27(58)11-6-22(46)37(68)69)44(28(59)12-7-23(47)38(70)71,41(76)77-31(63)14-9-25(49)40(74)75)56(29(60)13-8-24(48)39(72)73)35(65)18-1-3-19(4-2-18)51-16-20-17-52-33-32(53-20)34(64)55-42(50)54-33/h1-4,17,21-25,51H,5-16,45-49H2,(H,61,62)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H3,50,52,54,55,64)/t21-,22-,23-,24-,25-,44-/m1/s1",FWAQAOUHULVCBP,ZUFQSMHDSA,N,Hexaglutamyl folate  (THF),FWAQAOUHULVCBP-ZUFQSMHDSA-N
HMDB60218,1105.376174075,C45H70N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,24-25,32-34,38-40,44,55-56H,4,7,10,13,16,19-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,25-24+/t34-,38+,39+,40-,44-/m0/s1",MMZJVINJFSRJOK,JSBHBCGUSA,N,"2-trans-9,12,15,18,21-all-cis-Tetracosahexaenoyl-CoA",MMZJVINJFSRJOK-JSBHBCGUSA-N
HMDB60219,1105.376174075,C45H70N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38+,39+,40-,44-/m0/s1",UYOKHWFEUAJFMG,FEMJCMIVSA,N,"trans-2-all-cis-6,9,12,15,18-Tetracosahexaenoyl-CoA",UYOKHWFEUAJFMG-FEMJCMIVSA-N
HMDB60220,1121.371088697,C45H70N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,31-32,34,38-40,44,56-57H,4,7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-/t34-,38+,39+,40-,44-/m0/s1",UQPANOGFYCZRAV,UWOIJHEUSA,N,"3-oxo-all-cis-6,9,12,15,18-Tetracosapentaenoyl-CoA",UQPANOGFYCZRAV-UWOIJHEUSA-N
HMDB60221,1121.371088697,C45H70N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t33-,34-,38+,39+,40-,44-/m0/s1",JJCGUWRDULVWQG,NSHBZNABSA,N,"Tetracosa-6,9,12,15,18,21-all-cis-hexaenoyl-CoA",JJCGUWRDULVWQG-NSHBZNABSA-N
HMDB60222,1107.391824139,C45H72N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4,7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40-,44-/m1/s1",BNAMTMVBOVNNSH,OADOTDRXSA,N,"Tetracosapentaenoyl coenzyme A, n-3",BNAMTMVBOVNNSH-OADOTDRXSA-N
HMDB60223,1107.391824139,C45H72N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,24-25,32-34,38-40,44,55-56H,4,7,10,13,16-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,25-24+/t34-,38+,39+,40-,44-/m0/s1",PJWUUOREXKKLME,RMETWYQESA,N,"trans,cis,cis,cis,cis-2,12,15,18,21-Tetracosapentaenoyl-CoA",PJWUUOREXKKLME-RMETWYQESA-N
HMDB60224,1107.391824139,C45H72N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,24-25,32-34,38-40,44,55-56H,4-7,10,13,16,19-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,25-24+/t34-,38+,39+,40-,44-/m0/s1",AVRCOFDAWHWKMB,FVOMHKOJSA,N,"2-trans-9,12,15,18-all-cis-Tetracosapentaenoyl-CoA",AVRCOFDAWHWKMB-FVOMHKOJSA-N
HMDB60225,1107.391824139,C45H72N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40-,44-/m1/s1",XZYNVQDKYRHKFG,AHZYLBGRSA,N,"Tetracosapentaenoyl coenzyme A, n-6",XZYNVQDKYRHKFG-AHZYLBGRSA-N
HMDB60226,1123.386738761,C45H72N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,31-32,34,38-40,44,56-57H,4,7,10,13,16-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-/t34-,38+,39+,40-,44-/m0/s1",HPMVBGKWFWCZAY,JDTXFHFDSA,N,"3-Oxo-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA",HPMVBGKWFWCZAY-JDTXFHFDSA-N
HMDB60227,1123.386738761,C45H72N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,31-34,38-40,44,53,56-57H,4,7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-/t33-,34-,38+,39+,40-,44-/m0/s1",DRQAURCKCKDINZ,MRBHEALXSA,N,"3(S)-Hydroxy-tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA",DRQAURCKCKDINZ-MRBHEALXSA-N
HMDB60228,1123.386738761,C45H72N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,31-34,38-40,44,53,56-57H,4,7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-/t33-,34-,38+,39+,40-,44-/m0/s1",DRQAURCKCKDINZ,MRBHEALXSA,N,"Tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA",DRQAURCKCKDINZ-MRBHEALXSA-N
HMDB60229,1123.386738761,C45H72N7O18P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,31-32,34,38-40,44,56-57H,4-7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-/t34-,38+,39+,40-,44-/m0/s1",WSALICWLARPULC,SSDCCYKMSA,N,"3-Oxo-tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA",WSALICWLARPULC-SSDCCYKMSA-N
HMDB60230,1123.386738761,C45H72N7O18P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-,21-20-/t33-,34-,38+,39+,40-,44-/m0/s1",NNEPPYNERZEJEE,IOPBWTMASA,N,"3(S)-Hydroxy-tetracosa-6,9,12,15,18-all-cis-pentaenoyl-CoA",NNEPPYNERZEJEE-IOPBWTMASA-N
HMDB60231,1123.386738761,C45H72N7O18P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-,21-20-/t33-,34-,38+,39+,40-,44-/m0/s1",NNEPPYNERZEJEE,IOPBWTMASA,N,"Tetracosa-6,9,12,15,18-all-cis-pentaenoyl-CoA",NNEPPYNERZEJEE-IOPBWTMASA-N
HMDB60232,1123.386738761,C45H72N7O18P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,31-32,34,38-40,44,56-57H,4-7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-/t34-,38+,39+,40-,44-/m0/s1",WSALICWLARPULC,SSDCCYKMSA,N,"Tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA",WSALICWLARPULC-SSDCCYKMSA-N
HMDB60233,1109.407474203,C45H74N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,32-34,38-40,44,55-56H,4,7,10,13,16-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-/t34-,38+,39+,40-,44-/m0/s1",LLJDAYKOCIXVML,JDTXFHFDSA,N,"all-cis-12,15,18,21-Tetracosatetraenoyl-CoA",LLJDAYKOCIXVML-JDTXFHFDSA-N
HMDB60234,1125.402388825,C45H74N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,31-34,38-40,44,53,56-57H,4,7,10,13,16-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-/t33-,34-,38+,39+,40-,44-/m0/s1",VYZWWTGHKBYTPF,KHFKNKFYSA,N,"3(S)-Hydroxy-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA",VYZWWTGHKBYTPF-KHFKNKFYSA-N
HMDB60236,1141.397303447,C45H74N7O19P3S,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1S/C45H74N7O19P3S/c1-24(28-9-10-29-27-8-7-25-18-26(53)12-14-44(25,4)30(27)19-32(54)45(28,29)5)6-11-34(56)75-17-16-47-33(55)13-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-32,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24-,25-,26-,27+,28-,29+,30+,31-,32+,36-,37-,38+,42-,44+,45-/m1/s1",YTGXPYMXYISPEB,SIQRDODDSA,N,Deoxycholoyl-CoA,YTGXPYMXYISPEB-SIQRDODDSA-N
HMDB60237,1115.454424395,C45H80N7O17P3S,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,32-34,38-40,44,55-56H,4-10,13-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b12-11-/t34-,38-,39-,40-,44-/m1/s1",QHZAQVTVYPHLKK,FKIRUVQISA,N,Nervonyl CoA,QHZAQVTVYPHLKK-FKIRUVQISA-N
HMDB60238,1131.449339017,C45H80N7O18P3S,CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C45H80N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-32,34,38-40,44,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t34-,38-,39-,40+,44-/m1/s1",JJSJTIWFKNSCHC,JBKAVQFISA,N,3-Oxotetracosanoyl-CoA,JJSJTIWFKNSCHC-JBKAVQFISA-N
HMDB60239,1117.470074459,C45H82N7O17P3S,CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/t34-,38-,39-,40+,44-/m1/s1",MOYMQYZWIUKGGY,JBKAVQFISA,N,Lignocericyl coenzyme A,MOYMQYZWIUKGGY-JBKAVQFISA-N
HMDB60240,1133.464989081,C45H82N7O18P3S,CCCCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-34,38-40,44,53,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t33-,34-,38-,39-,40+,44-/m1/s1",QIBKBVRVOFIKLN,YSOWJFSKSA,N,3-Hydroxytetracosanoyl-CoA,QIBKBVRVOFIKLN-YSOWJFSKSA-N
HMDB60241,1159.480639145,C47H84N7O18P3S,CCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C47H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-34,36,40-42,46,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t36-,40-,41-,42+,46-/m1/s1",VOMUIFOBQMYJPJ,CPIGOPAHSA,N,3-Oxohexacosyl-CoA,VOMUIFOBQMYJPJ-CPIGOPAHSA-N
HMDB60244,169.050394389,C4H12NO4P,CN(C)CCOP(O)(O)=O,"InChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)",BLHVJAAEHMLMOI,UHFFFAOYSA,N,Phosphodimethylethanolamine,BLHVJAAEHMLMOI-UHFFFAOYSA-N
HMDB60245,114.042927446,C4H6N2O2,[H][C@](N)(CC#N)C(O)=O,"InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1",BXRLWGXPSRYJDZ,VKHMYHEASA,N,L-3-Cyanoalanine,BXRLWGXPSRYJDZ-VKHMYHEASA-N
HMDB60246,69.057849229,C4H7N,C1CC=NC1,"InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2",ZVJHJDDKYZXRJI,UHFFFAOYSA,N,1-Pyrrolinium,ZVJHJDDKYZXRJI-UHFFFAOYSA-N
HMDB60248,818.657696618,C57H86O3,COC1=CC(=O)C=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O,"InChI=1S/C57H86O3/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58)43-56(60-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+",POYJNCVGTDCCPK,RDSVHMIISA,N,"2-Decaprenyl-6-methoxy-1,4-benzoquinone",POYJNCVGTDCCPK-RDSVHMIISA-N
HMDB60249,834.65261124,C57H86O4,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=CC(O)=C1O)C(O)=O,"InChI=1S/C57H86O4/c1-43(2)21-12-22-44(3)23-13-24-45(4)25-14-26-46(5)27-15-28-47(6)29-16-30-48(7)31-17-32-49(8)33-18-34-50(9)35-19-36-51(10)37-20-38-52(11)39-40-53-41-54(57(60)61)42-55(58)56(53)59/h21,23,25,27,29,31,33,35,37,39,41-42,58-59H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,60,61)/b44-23+,45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+",HGWUGDIATLOPBN,BHZQGFRMSA,N,"3-Decaprenyl-4,5-dihydroxybenzoate",HGWUGDIATLOPBN-BHZQGFRMSA-N
HMDB60250,804.67843206,C57H88O2,COC1=CC=CC(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C1O,"InChI=1S/C57H88O2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)43-44-55-41-22-42-56(59-12)57(55)58/h22-23,25,27,29,31,33,35,37,39,41-43,58H,13-21,24,26,28,30,32,34,36,38,40,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-43+",FYLLWSGFAAQKHU,GBBROCKZSA,N,2-Decaprenyl-6-methoxyphenol,FYLLWSGFAAQKHU-GBBROCKZSA-N
HMDB60251,832.673346682,C58H88O3,COC1=CC(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O,"InChI=1S/C58H88O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+",DLBRMPAESNEOJM,RGIWONJESA,N,"2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone",DLBRMPAESNEOJM-RGIWONJESA-N
HMDB60252,848.668261304,C58H88O4,COC1=C(O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=CC(=C1)C(O)=O,"InChI=1S/C58H88O4/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58(60)61)43-56(62-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43,59H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3,(H,60,61)/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+",WCQCNOIKXGNDLX,RDSVHMIISA,N,3-Decaprenyl-4-hydroxy-5-methoxybenzoate,WCQCNOIKXGNDLX-RDSVHMIISA-N
HMDB60253,84.081324325,C5H10N,C[N+]1=CCCC1,"InChI=1S/C5H10N/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3/q+1",FDWZAOGDOVQOLD,UHFFFAOYSA,N,1-Methylpyrrolinium,FDWZAOGDOVQOLD-UHFFFAOYSA-N
HMDB60254,150.05282343,C5H10O5,OC[C@@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1",PYMYPHUHKUWMLA,VPENINKCSA,N,Aldehydo-D-xylose,PYMYPHUHKUWMLA-VPENINKCSA-N
HMDB60255,166.047738052,C5H10O6,OCC(O)C(O)C(O)C(O)=O,"InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)",QXKAIJAYHKCRRA,UHFFFAOYSA,N,L-Lyxonate,QXKAIJAYHKCRRA-UHFFFAOYSA-N
HMDB60256,166.047738052,C5H10O6,OC[C@H](O)[C@@H](O)[C@H](O)C(O)=O,"InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m0/s1",QXKAIJAYHKCRRA,NUNKFHFFSA,N,L-Xylonate,QXKAIJAYHKCRRA-NUNKFHFFSA-N
HMDB60257,212.990415051,C5H11NO3Se,C[Se](=O)CCC(N)C(O)=O,"InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",KGXZPWNBFWCDRF,UHFFFAOYSA,N,Selenomethionine se-oxide,KGXZPWNBFWCDRF-UHFFFAOYSA-N
HMDB60260,167.020514982,C5H3N4O3,OC1=NC2=C(N=[C](O)=N2)C(O)=N1,"InChI=1S/C5H3N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H3,6,7,8,9,10,11,12)",RKXSGLUFSIPOGU,UHFFFAOYSA,N,Urate radical,RKXSGLUFSIPOGU-UHFFFAOYSA-N
HMDB60262,129.042593095,C5H7NO3,OC(=O)C1CCC(=O)N1,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)",ODHCTXKNWHHXJC,UHFFFAOYSA,N,5-Oxoprolinate,ODHCTXKNWHHXJC-UHFFFAOYSA-N
HMDB60263,111.079647303,C5H9N3,NCCC1=CNC=N1,"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)",NTYJJOPFIAHURM,UHFFFAOYSA,N,Histamium,NTYJJOPFIAHURM-UHFFFAOYSA-N
HMDB60264,1402.761571394,C60H102N22O15S,CSCC[C@@H](N=C(O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H](CCCCN)N=C(O)[C@H](CC1=CN=CN1)N=C(O)[C@@H](CO)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](CCCNC(N)=N)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)N=C(O)[C@H](N)CCC(O)=N)C(=O)N1CCC[C@@H]1C(O)=O,"InChI=1S/C60H102N22O15S/c1-33(2)27-40(77-50(88)37(12-6-21-69-59(64)65)74-55(93)44-15-9-24-81(44)56(94)38(13-7-22-70-60(66)67)75-48(86)35(62)17-18-46(63)84)51(89)79-42(31-83)53(91)78-41(28-34-29-68-32-72-34)52(90)73-36(11-4-5-20-61)49(87)71-30-47(85)80-23-8-14-43(80)54(92)76-39(19-26-98-3)57(95)82-25-10-16-45(82)58(96)97/h29,32-33,35-45,83H,4-28,30-31,61-62H2,1-3H3,(H2,63,84)(H,68,72)(H,71,87)(H,73,90)(H,74,93)(H,75,86)(H,76,92)(H,77,88)(H,78,91)(H,79,89)(H,96,97)(H4,64,65,69)(H4,66,67,70)/t35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1",QZNKGTRFBWGADN,AOOBOKMPSA,N,Apelin (1-12),QZNKGTRFBWGADN-AOOBOKMPSA-N
HMDB60265,145.073893223,C6H11NO3,CC(=O)NCCCC(O)=O,"InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)",UZTFMUBKZQVKLK,UHFFFAOYSA,N,4-Acetamidobutanoate,UZTFMUBKZQVKLK-UHFFFAOYSA-N
HMDB60266,242.001395286,C6H11O6PS,CSCCC(=O)C(=O)COP(O)(O)=O,"InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)",HKEAOVFNWRDVAJ,UHFFFAOYSA,N,"2,3-Diketo-5-methylthio-1-phosphopentane",HKEAOVFNWRDVAJ-UHFFFAOYSA-N
HMDB60267,164.068473494,C6H12O5,[H][C@@](C)(O)[C@@]([H])(O)[C@@]([H])(O)C(=O)CO,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1",QZNPNKJXABGCRC,LFRDXLMFSA,N,L-Fuculose,QZNPNKJXABGCRC-LFRDXLMFSA-N
HMDB60268,130.11061308,C6H14N2O,CC(=O)NCCCCN,"InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)",KLZGKIDSEJWEDW,UHFFFAOYSA,N,N-Acetylputrescinium,KLZGKIDSEJWEDW-UHFFFAOYSA-N
HMDB60269,339.996048936,C6H14O12P2,O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@@H](OP(O)(O)=O)[C@H]1O,"InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5+,6+/m1/s1",RWHOZGRAXYWRNX,PQMKYFCFSA,N,"D-Mannose 1,6-bisphosphate",RWHOZGRAXYWRNX-PQMKYFCFSA-N
HMDB60271,659.861370576,C6H18O24P6,OP(O)(=O)OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O,"InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)",IMQLKJBTEOYOSI,UHFFFAOYSA,N,Diphosphoinositol tetrakisphosphate,IMQLKJBTEOYOSI-UHFFFAOYSA-N
HMDB60272,218.993273441,C6H6NO6P,OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)",XZKIHKMTEMTJQX,UHFFFAOYSA,N,4-Nitrophenyl phosphate,XZKIHKMTEMTJQX-UHFFFAOYSA-N
HMDB60273,175.048072403,C6H9NO5,NC(C(O)=O)C(=O)CCC(O)=O,"InChI=1S/C6H9NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2,7H2,(H,9,10)(H,11,12)",HXWZRYKURKEOSO,UHFFFAOYSA,N,2-Amino-3-oxoadipate,HXWZRYKURKEOSO-UHFFFAOYSA-N
HMDB60274,370.006613622,C7H16O13P2,O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O,"InChI=1S/C7H16O13P2/c8-3(1-19-21(13,14)15)5(10)7(12)6(11)4(9)2-20-22(16,17)18/h3,5-8,10-12H,1-2H2,(H2,13,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1",OKHXOUGRECCASI,SHUUEZRQSA,N,"Sedoheptulose 1,7-bisphosphate",OKHXOUGRECCASI-SHUUEZRQSA-N
HMDB60275,143.142247559,C7H17N3,NCCC\C=N\CCCN,"InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+",YAVLYBVKPXLZEQ,UXBLZVDNSA,N,"N-[(E)-4-Ammoniobutylidene]propane-1,3-diaminium",YAVLYBVKPXLZEQ-UXBLZVDNSA-N
HMDB60276,121.089149357,C8H11N,NCCC1=CC=CC=C1,"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2",BHHGXPLMPWCGHP,UHFFFAOYSA,N,2-Phenylethanaminium,BHHGXPLMPWCGHP-UHFFFAOYSA-N
HMDB60278,237.084851839,C8H15NO7,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O,"InChI=1S/C8H15NO7/c10-3-5(12)8(16)7(15)4(11)1-9-2-6(13)14/h5,7-10,12,15-16H,1-3H2,(H,13,14)/t5-,7-,8-/m1/s1",YGUYJMQMTNJNFS,LPBLVHEISA,N,Fructoseglycine,YGUYJMQMTNJNFS-LPBLVHEISA-N
HMDB60279,150.055503505,C8H8NO2,[O]C1=C(O)C=C2NCCC2=C1,"InChI=1S/C8H8NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9,11H,1-2H2",SUOKBNMHVMNQDG,UHFFFAOYSA,N,Aminochrome o-semiquinone,SUOKBNMHVMNQDG-UHFFFAOYSA-N
HMDB60280,181.073893223,C9H11NO3,OC1CNCC2=CC(O)=C(O)C=C12,"InChI=1S/C9H11NO3/c11-7-1-5-3-10-4-9(13)6(5)2-8(7)12/h1-2,9-13H,3-4H2",RNIMUEXSLJYHIE,UHFFFAOYSA,N,"4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline",RNIMUEXSLJYHIE-UHFFFAOYSA-N
HMDB60281,180.089877638,C9H12N2O2,NCCC(=O)C1=C(N)C(O)=CC=C1,"InChI=1S/C9H12N2O2/c10-5-4-7(12)6-2-1-3-8(13)9(6)11/h1-3,13H,4-5,10-11H2",ODOPEICAGBYCFH,UHFFFAOYSA,N,3-Hydroxykynurenamine,ODOPEICAGBYCFH-UHFFFAOYSA-N
HMDB60282,324.035866536,C9H13N2O9P,[H][C@]1(CO)O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",FOGRQMPFHUHIGU,XVFCMESISA,N,3'-UMP,FOGRQMPFHUHIGU-XVFCMESISA-N
HMDB60285,154.099379692,C9H14O2,CCCCCC(=O)\C=C\C=O,"InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+",SEPPVOUBHWNCAW,FNORWQNLSA,N,4-Oxo-2-nonenal,SEPPVOUBHWNCAW-FNORWQNLSA-N
HMDB60286,156.115029756,C9H16O2,CCCCCC1OC1CC=O,"InChI=1S/C9H16O2/c1-2-3-4-5-8-9(11-8)6-7-10/h7-9H,2-6H2,1H3",HEXGZHJMMROIQO,UHFFFAOYSA,N,"3,4-Epoxynonanal",HEXGZHJMMROIQO-UHFFFAOYSA-N
HMDB60287,172.109944378,C9H16O3,CCCCCC(OO)\C=C\C=O,"InChI=1S/C9H16O3/c1-2-3-4-6-9(12-11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+",TVNYLRYVAZWBEH,FNORWQNLSA,N,4-Hydroperoxy-2-nonenal,TVNYLRYVAZWBEH-FNORWQNLSA-N
HMDB60288,187.168462309,C9H21N3O,CC(=O)NCCCCNCCCN,"InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)",FONIWJIDLJEJTL,UHFFFAOYSA,N,N(8)-Acetylspermidinium,FONIWJIDLJEJTL-UHFFFAOYSA-N
HMDB60289,161.047678473,C9H7NO2,OC1=CC=CC2=C(O)C=CN=C12,"InChI=1S/C9H7NO2/c11-7-4-5-10-9-6(7)2-1-3-8(9)12/h1-5,12H,(H,10,11)",PYELIMVFIITPER,UHFFFAOYSA,N,"Quinoline-4,8-diol",PYELIMVFIITPER-UHFFFAOYSA-N
HMDB60291,31.042199165,CH5N,CN,"InChI=1S/CH5N/c1-2/h2H2,1H3",BAVYZALUXZFZLV,UHFFFAOYSA,N,Methylammonium,BAVYZALUXZFZLV-UHFFFAOYSA-N
HMDB60292,27.010899037,CHN,C#N,InChI=1S/CHN/c1-2/h1H,LELOWRISYMNNSU,UHFFFAOYSA,N,Hydrogen cyanide,LELOWRISYMNNSU-UHFFFAOYSA-N
HMDB60293,113.94453531,H2O3S2,OS(O)(=O)=S,"InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)",DHCDFWKWKRSZHF,UHFFFAOYSA,N,Hydroxidodioxidosulfidosulfate,DHCDFWKWKRSZHF-UHFFFAOYSA-N
HMDB60296,814.144002016,C33H34O24,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C33H34O24/c34-9-3-7(1-2-12(9)53-31-22(43)16(37)18(39)24(54-31)28(45)46)13-6-11(36)15-10(35)4-8(5-14(15)52-13)51-33-27(21(42)20(41)26(56-33)30(49)50)57-32-23(44)17(38)19(40)25(55-32)29(47)48/h1-6,16-27,31-35,37-44H,(H,45,46)(H,47,48)(H,49,50)/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27+,31+,32-,33+/m0/s1",AEYXZGCDWDUIKX,OFFAAIFBSA,N,Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide,AEYXZGCDWDUIKX-OFFAAIFBSA-N
HMDB60297,638.111914028,C27H26O18,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1",PBBVWJQPAZYQDB,DBFWEQBMSA,N,Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],PBBVWJQPAZYQDB-DBFWEQBMSA-N
HMDB60298,959.230238121,C33H52N7O18P3S,CC\C=C/C[C@H]1[C@@H](CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)CCC1=O,"InChI=1S/C33H52N7O18P3S/c1-4-5-6-7-20-19(8-9-21(20)41)14-24(43)62-13-12-35-23(42)10-11-36-31(46)28(45)33(2,3)16-55-61(52,53)58-60(50,51)54-15-22-27(57-59(47,48)49)26(44)32(56-22)40-18-39-25-29(34)37-17-38-30(25)40/h5-6,17-20,22,26-28,32,44-45H,4,7-16H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/b6-5-/t19-,20+,22-,26-,27-,28+,32-/m1/s1",WQKKCPPNDKSAIU,CBGYDUJUSA,N,(+)-7-Isojasmonic acid CoA,WQKKCPPNDKSAIU-CBGYDUJUSA-N
HMDB60299,451.141320859,C20H25N3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CS[C@]1([H])C2=CC=CC=C2C=C[C@@]1([H])O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(25)23-14(19(28)22-9-17(26)27)10-31-18-12-4-2-1-3-11(12)5-7-15(18)24/h1-5,7,13-15,18,24H,6,8-10,21H2,(H,22,28)(H,23,25)(H,26,27)(H,29,30)/t13-,14-,15+,18+/m0/s1",UWBZAZWPTVBBEL,OIPACUDHSA,N,"(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene",UWBZAZWPTVBBEL-OIPACUDHSA-N
HMDB60300,451.141320859,C20H25N3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CS[C@]1([H])C=CC2=CC=CC=C2[C@@]1([H])O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(24)23-14(19(28)22-9-17(25)26)10-31-15-7-5-11-3-1-2-4-12(11)18(15)27/h1-5,7,13-15,18,27H,6,8-10,21H2,(H,22,28)(H,23,24)(H,25,26)(H,29,30)/t13-,14-,15+,18+/m0/s1",HBBDHJOSZGOTBV,OIPACUDHSA,N,"(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene",HBBDHJOSZGOTBV-OIPACUDHSA-N
HMDB60301,144.057514878,C10H8O,[H][C@]12O[C@@]1([H])C1=CC=CC=C1C=C2,"InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m1/s1",XQIJIALOJPIKGX,ZJUUUORDSA,N,"(1S,2R)-Naphthalene 1,2-oxide",XQIJIALOJPIKGX-ZJUUUORDSA-N
HMDB60302,451.141320859,C20H25N3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CS[C@@]1([H])C=CC2=CC=CC=C2[C@]1([H])O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(24)23-14(19(28)22-9-17(25)26)10-31-15-7-5-11-3-1-2-4-12(11)18(15)27/h1-5,7,13-15,18,27H,6,8-10,21H2,(H,22,28)(H,23,24)(H,25,26)(H,29,30)/t13-,14-,15-,18-/m0/s1",HBBDHJOSZGOTBV,XSWJXKHESA,N,"(1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene",HBBDHJOSZGOTBV-XSWJXKHESA-N
HMDB60303,158.073164942,C11H10O,OCC1=CC2=CC=CC=C2C=C1,"InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2",MFGWMAAZYZSWMY,UHFFFAOYSA,N,(2-Naphthyl)methanol,MFGWMAAZYZSWMY-UHFFFAOYSA-N
HMDB60304,1183.444253639,C48H80N7O19P3S,C[C@H](CCC[C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26-,27-,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1",SBYLHTNKEWSLBA,NOMRFMDASA,N,"(25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA",SBYLHTNKEWSLBA-NOMRFMDASA-N
HMDB60305,1199.439168261,C48H80N7O20P3S,C[C@H](CCC[C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",MNYDLIUNNOCPHG,FJWDCHQMSA,N,"(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA",MNYDLIUNNOCPHG-FJWDCHQMSA-N
HMDB60306,1183.444253639,C48H80N7O19P3S,C[C@H](CCC[C@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26-,27+,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1",SBYLHTNKEWSLBA,WKKPLVHGSA,N,"(25S)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA",SBYLHTNKEWSLBA-WKKPLVHGSA-N
HMDB60307,1199.439168261,C48H80N7O20P3S,C[C@H](CCC[C@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",MNYDLIUNNOCPHG,SEGQUPMDSA,N,"(25S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA",MNYDLIUNNOCPHG-SEGQUPMDSA-N
HMDB60308,1105.376174075,C45H70N7O17P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38-,39-,40+,44-/m1/s1",UYOKHWFEUAJFMG,UIYHDVLFSA,N,"(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexa-2,6,9,12,15,18-enoyl-CoA",UYOKHWFEUAJFMG-UIYHDVLFSA-N
HMDB60309,99.068413915,C5H9NO,CC[C@@](C)(O)C#N,"InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1",VMEHOTODTPXCKT,RXMQYKEDSA,N,(2R)-2-Hydroxy-2-methylbutanenitrile,VMEHOTODTPXCKT-RXMQYKEDSA-N
HMDB60310,881.146902423,C26H42N7O19P3S,CC[C@H](C(O)=O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14-,17-,18-,19+,23-/m1/s1",VUGZQVCBBBEZQE,XGVFZYDCSA,N,(2R)-Ethylmalonyl-CoA,VUGZQVCBBBEZQE-XGVFZYDCSA-N
HMDB60311,1051.329223883,C41H64N7O17P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1",JWZLRYCDDXHXDL,LCMHIRPZSA,N,"(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA",JWZLRYCDDXHXDL-LCMHIRPZSA-N
HMDB60312,1121.371088697,C45H70N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t33?,34-,38-,39-,40+,44-/m1/s1",JJCGUWRDULVWQG,MOYVEXGTSA,N,"(6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexa-6,9,12,15,18,21-enoyl-CoA",JJCGUWRDULVWQG-MOYVEXGTSA-N
HMDB60313,1119.355438633,C45H68N7O18P3S,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-32,34,38-40,44,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1",DNHDPAXPQGYGIJ,KWFBMMABSA,N,"(6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexa-6,9,12,15,18,21-enoyl-CoA",DNHDPAXPQGYGIJ-KWFBMMABSA-N
HMDB60314,1123.386738761,C45H72N7O18P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-,21-20-/t33?,34-,38-,39-,40+,44-/m1/s1",NNEPPYNERZEJEE,PJAVOEQDSA,N,"(6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapenta-6,9,12,15,18-enoyl-CoA",NNEPPYNERZEJEE-PJAVOEQDSA-N
HMDB60315,1121.371088697,C45H70N7O18P3S,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-32,34,38-40,44,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1",UIAGUJIMVQPSDP,QOJZHLSOSA,N,"(6Z,9Z,12Z,15Z,18Z)-3-Oxotetracosapenta-6,9,12,15,18-enoyl-CoA",UIAGUJIMVQPSDP-QOJZHLSOSA-N
HMDB60316,414.073300874,C16H18N2O9S,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N=C(O)CCCC(=O)C(O)=O)C2=O)C(O)=O,"InChI=1S/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)/t11-,14-/m1/s1",UKRMDFPJXIVYCZ,BXUZGUMPSA,N,(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate,UKRMDFPJXIVYCZ-BXUZGUMPSA-N
HMDB60317,851.172723243,C26H44N7O17P3S,CC[C@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,15+,18+,19+,20-,24+/m0/s1",LYNVNYDEQMMNMZ,JRQZLUQRSA,N,(S)-2-Methylbutanoyl-CoA,LYNVNYDEQMMNMZ-JRQZLUQRSA-N
HMDB60318,149.047678473,C8H7NO2,O[C@H](C#N)C1=CC=C(O)C=C1,"InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1",HOOOPXDSCKBLFG,MRVPVSSYSA,N,(S)-4-Hydroxymandelonitrile,HOOOPXDSCKBLFG-MRVPVSSYSA-N
HMDB60319,299.152143543,C18H21NO3,COC1=C(O)C=C2[C@H](CC3=CC=C(O)C=C3)N(C)CCC2=C1,"InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m0/s1",BOKVLBSSPUTWLV,INIZCTEOSA,N,(S)-N-Methylcoclaurine,BOKVLBSSPUTWLV-INIZCTEOSA-N
HMDB60320,188.032087988,C7H8O6,OC(=O)CC\C(=C\C(O)=O)C(O)=O,"InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/b4-3-",BJYPZFUWWJSAKC,ARJAWSKDSA,N,"(Z)-But-1-ene-1,2,4-tricarboxylate",BJYPZFUWWJSAKC-ARJAWSKDSA-N
HMDB60321,248.083729628,C17H12O2,COC1=C2C=CC3=C4C(C=CC(C=C1)=C24)=C(O)C=C3,"InChI=1S/C17H12O2/c1-19-15-9-5-11-2-6-12-14(18)8-4-10-3-7-13(15)17(11)16(10)12/h2-9,18H,1H3",BVDKRJLKWHAGMW,UHFFFAOYSA,N,1-Hydroxy-6-methoxypyrene,BVDKRJLKWHAGMW-UHFFFAOYSA-N
HMDB60322,158.073164942,C11H10O,OCC1=CC=CC2=CC=CC=C12,"InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2",PBLNHHSDYFYZNC,UHFFFAOYSA,N,1-Hydroxymethylnaphthalene,PBLNHHSDYFYZNC-UHFFFAOYSA-N
HMDB60323,208.088815006,C15H12O,COC1=CC=CC2=C1C=CC1=CC=CC=C21,"InChI=1S/C15H12O/c1-16-15-8-4-7-13-12-6-3-2-5-11(12)9-10-14(13)15/h2-10H,1H3",ONMKCYMMGBIVPT,UHFFFAOYSA,N,1-Methoxyphenanthrene,ONMKCYMMGBIVPT-UHFFFAOYSA-N
HMDB60324,232.088815006,C17H12O,COC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4,"InChI=1S/C17H12O/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10H,1H3",CPPFVJLHDNOVTN,UHFFFAOYSA,N,1-Methoxypyrene,CPPFVJLHDNOVTN-UHFFFAOYSA-N
HMDB60325,156.057514878,C11H8O,O=CC1=CC=CC2=CC=CC=C12,InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,SQAINHDHICKHLX,UHFFFAOYSA,N,1-Naphthaldehyde,SQAINHDHICKHLX-UHFFFAOYSA-N
HMDB60326,496.126399076,C20H24N4O9S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSC1([H])C2=C(C=CC1([H])O)C(=CC=C2)N(=O)=O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C20H24N4O9S/c21-12(20(30)31)5-7-16(26)23-13(19(29)22-8-17(27)28)9-34-18-11-2-1-3-14(24(32)33)10(11)4-6-15(18)25/h1-4,6,12-13,15,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t12-,13-,15?,18?/m0/s1",ASZHPHJDCUIIBF,RJXQQRCHSA,N,"1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene",ASZHPHJDCUIIBF-RJXQQRCHSA-N
HMDB60327,496.126399076,C20H24N4O9S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSC1([H])C=CC2=C(C=CC=C2N(=O)=O)C1([H])O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C20H24N4O9S/c21-12(20(30)31)5-7-16(25)23-13(19(29)22-8-17(26)27)9-34-15-6-4-10-11(18(15)28)2-1-3-14(10)24(32)33/h1-4,6,12-13,15,18,28H,5,7-9,21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)/t12-,13-,15?,18?/m0/s1",SFJZEQDXMXSLGC,RJXQQRCHSA,N,"1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene",SFJZEQDXMXSLGC-RJXQQRCHSA-N
HMDB60328,207.053157781,C10H9NO4,OC1C=CC2=C(C=CC=C2N(=O)=O)C1O,"InChI=1S/C10H9NO4/c12-9-5-4-6-7(10(9)13)2-1-3-8(6)11(14)15/h1-5,9-10,12-13H",VNMNNCGXMBPWIX,UHFFFAOYSA,N,"1-Nitro-5,6-dihydroxy-dihydronaphthalene",VNMNNCGXMBPWIX-UHFFFAOYSA-N
HMDB60329,496.126399076,C20H24N4O9S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSC1([H])C=CC2=C(C(=CC=C2)N(=O)=O)C1([H])O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C20H24N4O9S/c21-11(20(30)31)5-7-15(25)23-12(19(29)22-8-16(26)27)9-34-14-6-4-10-2-1-3-13(24(32)33)17(10)18(14)28/h1-4,6,11-12,14,18,28H,5,7-9,21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)/t11-,12-,14?,18?/m0/s1",FCTXJUPCCZHZHU,WXFCVCCESA,N,"1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene",FCTXJUPCCZHZHU-WXFCVCCESA-N
HMDB60330,496.126399076,C20H24N4O9S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSC1([H])C2=C(C=CC=C2N(=O)=O)C=CC1([H])O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C20H24N4O9S/c21-11(20(30)31)5-7-15(26)23-12(19(29)22-8-16(27)28)9-34-18-14(25)6-4-10-2-1-3-13(17(10)18)24(32)33/h1-4,6,11-12,14,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t11-,12-,14?,18?/m0/s1",RQCSOWVLCHNLLC,WXFCVCCESA,N,"1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene",RQCSOWVLCHNLLC-WXFCVCCESA-N
HMDB60331,189.042593095,C10H7NO3,O=N(=O)C1=CC=CC2=C1C=CC1OC21,"InChI=1S/C10H7NO3/c12-11(13)8-3-1-2-7-6(8)4-5-9-10(7)14-9/h1-5,9-10H",GSAMVXYBVGOJMK,UHFFFAOYSA,N,"1-Nitronaphthalene-5,6-oxide",GSAMVXYBVGOJMK-UHFFFAOYSA-N
HMDB60332,189.042593095,C10H7NO3,O=N(=O)C1=CC=CC2=C1C1OC1C=C2,"InChI=1S/C10H7NO3/c12-11(13)7-3-1-2-6-4-5-8-10(14-8)9(6)7/h1-5,8,10H",JBECFHRNFSQXPM,UHFFFAOYSA,N,"1-Nitronaphthalene-7,8-oxide",JBECFHRNFSQXPM-UHFFFAOYSA-N
HMDB60333,111.9482701,C2H2Cl2O,ClC1(Cl)CO1,InChI=1S/C2H2Cl2O/c3-2(4)1-5-2/h1H2,DPVAHOUXGQHEOI,UHFFFAOYSA,N,"1,1-Dichloroethylene epoxide",DPVAHOUXGQHEOI-UHFFFAOYSA-N
HMDB60334,185.867975422,C2H4Br2,BrCCBr,InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2,PAAZPARNPHGIKF,UHFFFAOYSA,N,"1,2-Dibromoethane",PAAZPARNPHGIKF-UHFFFAOYSA-N
HMDB60335,162.068079564,C10H10O2,OC1C=CC2=CC=CC=C2C1O,"InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H",QPUHWUSUBHNZCG,UHFFFAOYSA,N,"1,2-Dihydronaphthalene-1,2-diol",QPUHWUSUBHNZCG-UHFFFAOYSA-N
HMDB60336,212.152477894,C11H20N2O2,OC(=O)N1CCC(CC1)N1CCCCC1,"InChI=1S/C11H20N2O2/c14-11(15)13-8-4-10(5-9-13)12-6-2-1-3-7-12/h10H,1-9H2,(H,14,15)",FJWVEDMJFKIJFB,UHFFFAOYSA,N,"1,4'-Bipiperidine-1'-carboxylic acid",FJWVEDMJFKIJFB-UHFFFAOYSA-N
HMDB60337,262.099379692,C18H14O2,COC1=C2C=CC3=C4C(C=CC(C=C1)=C24)=C(OC)C=C3,"InChI=1S/C18H14O2/c1-19-15-9-5-11-4-8-14-16(20-2)10-6-12-3-7-13(15)17(11)18(12)14/h3-10H,1-2H3",WFKVWBRLOQDNIT,UHFFFAOYSA,N,"1,6-Dimethoxypyrene",WFKVWBRLOQDNIT-UHFFFAOYSA-N
HMDB60338,524.459331164,C36H60O2,CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20-,27-26+,31-22+,32-28+",VYGQUTWHTHXGQB,SXFSSFKVSA,N,11-cis-Retinyl palmitate,VYGQUTWHTHXGQB-SXFSSFKVSA-N
HMDB60339,304.203844762,C19H28O3,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,"InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1",YQDZGFAYWGWSJK,SLMGBJJTSA,N,"11beta,17beta-Dihydroxy-4-androsten-3-one",YQDZGFAYWGWSJK-SLMGBJJTSA-N
HMDB60340,570.4436811,C40H58O2,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)C(O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C40H58O2/c1-29(21-23-35-33(5)19-13-25-39(35,7)8)15-11-17-31(3)27-37(41)38(42)28-32(4)18-12-16-30(2)22-24-36-34(6)20-14-26-40(36,9)10/h11-12,15-18,21-24,27-28,37-38,41-42H,13-14,19-20,25-26H2,1-10H3/b17-11+,18-12+,23-21+,24-22+,29-15+,30-16+,31-27+,32-28+",LAMXZCLZRAUDED,WDJSDFAOSA,N,"15,15'-Dihydroxy-beta-carotene",LAMXZCLZRAUDED-WDJSDFAOSA-N
HMDB60341,272.120115134,C20H16O,CC1=C2C=CC3=C(C=CC4OC34)C2=C(C)C2=CC=CC=C12,"InChI=1S/C20H16O/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18-20(17)21-18/h3-10,18,20H,1-2H3",UZKWBBZEYBCHIN,UHFFFAOYSA,N,"1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene",UZKWBBZEYBCHIN-UHFFFAOYSA-N
HMDB60342,383.055398342,C12H18ClN3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSCC(Cl)=O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C12H18ClN3O7S/c13-8(17)5-24-4-7(11(21)15-3-10(19)20)16-9(18)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7-/m0/s1",QUWRSBQWJGCKIV,BQBZGAKWSA,N,2-(S-Glutathionyl)acetyl chloride,QUWRSBQWJGCKIV-BQBZGAKWSA-N
HMDB60343,654.162526584,C22H34N6O13S2,[H][C@](N)(CCC(O)=N[C@@]([H])(CSCC(=O)SC[C@]([H])(N=C(O)CC[C@]([H])(N)C(O)=O)C(O)=NCC(O)=O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C22H34N6O13S2/c23-10(21(38)39)1-3-14(29)27-12(19(36)25-5-16(31)32)7-42-9-18(35)43-8-13(20(37)26-6-17(33)34)28-15(30)4-2-11(24)22(40)41/h10-13H,1-9,23-24H2,(H,25,36)(H,26,37)(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,38,39)(H,40,41)/t10-,11-,12-,13-/m0/s1",QEJUVDVAWJBQIG,CYDGBPFRSA,N,2-(S-Glutathionyl)acetyl glutathione,QEJUVDVAWJBQIG-CYDGBPFRSA-N
HMDB60344,121.936727365,C2H3BrO,BrCC=O,"InChI=1S/C2H3BrO/c3-1-2-4/h2H,1H2",NMPVEAUIHMEAQP,UHFFFAOYSA,N,2-Bromoacetaldehyde,NMPVEAUIHMEAQP-UHFFFAOYSA-N
HMDB60345,187.987636355,C7H5ClO4,C\C(C(O)=O)=C1/OC(=O)C(Cl)=C1,"InChI=1S/C7H5ClO4/c1-3(6(9)10)5-2-4(8)7(11)12-5/h2H,1H3,(H,9,10)/b5-3+",KPWMDCDICLSMLX,HWKANZROSA,N,2-Chloro-5-methyl-cis-dienelactone,KPWMDCDICLSMLX-HWKANZROSA-N
HMDB60346,205.998201041,C7H7ClO5,CC(C(O)=O)C(=O)\C=C(\Cl)C(O)=O,"InChI=1S/C7H7ClO5/c1-3(6(10)11)5(9)2-4(8)7(12)13/h2-3H,1H3,(H,10,11)(H,12,13)/b4-2+",KECVAQLNZFMLLN,DUXPYHPUSA,N,2-Chloro-5-methylmaleylacetate,KECVAQLNZFMLLN-DUXPYHPUSA-N
HMDB60347,191.982550977,C6H5ClO5,OC(=O)CC(=O)\C=C(\Cl)C(O)=O,"InChI=1S/C6H5ClO5/c7-4(6(11)12)1-3(8)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)/b4-1+",QOHGUQUQCPIROQ,DAFODLJHSA,N,2-Chloromaleylacetate,QOHGUQUQCPIROQ-DAFODLJHSA-N
HMDB60348,158.021523302,C6H6O5,OC(=O)CC(=O)\C=C/C(O)=O,"InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)/b2-1-",SOXXPQLIZIPMIZ,UPHRSURJSA,N,2-Maleylacetate,SOXXPQLIZIPMIZ-UPHRSURJSA-N
HMDB60349,156.057514878,C11H8O,O=CC1=CC2=CC=CC=C2C=C1,InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,PJKVFARRVXDXAD,UHFFFAOYSA,N,2-Naphthaldehyde,PJKVFARRVXDXAD-UHFFFAOYSA-N
HMDB60350,131.021857653,C4H5NO4,OC(=N)CC(=O)C(O)=O,"InChI=1S/C4H5NO4/c5-3(7)1-2(6)4(8)9/h1H2,(H2,5,7)(H,8,9)",ONGPAWNLFDCRJE,UHFFFAOYSA,N,2-Oxosuccinamate,ONGPAWNLFDCRJE-UHFFFAOYSA-N
HMDB60351,195.089543287,C10H13NO3,OCC(COC(O)=N)C1=CC=CC=C1,"InChI=1S/C10H13NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13)",JQVQIZWJBLGVRW,UHFFFAOYSA,N,"2-Phenyl-1,3-propanediol monocarbamate",JQVQIZWJBLGVRW-UHFFFAOYSA-N
HMDB60352,304.167459256,C18H24O4,COC1=C(O)C(=O)C(C)=C(C\C=C(/C)CCC=C(C)C)C1=O,"InChI=1S/C18H24O4/c1-11(2)7-6-8-12(3)9-10-14-13(4)15(19)17(21)18(22-5)16(14)20/h7,9,21H,6,8,10H2,1-5H3/b12-9+",JVLAJUCFVRPDAQ,FMIVXFBMSA,N,"2-Polyprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone",JVLAJUCFVRPDAQ-FMIVXFBMSA-N
HMDB60353,288.172544634,C18H24O3,COC1=CC(=O)C(C)=C(C\C=C(/C)CCC=C(C)C)C1=O,"InChI=1S/C18H24O3/c1-12(2)7-6-8-13(3)9-10-15-14(4)16(19)11-17(21-5)18(15)20/h7,9,11H,6,8,10H2,1-5H3/b13-9+",GKCNNWJPOJGTLV,UKTHLTGXSA,N,"2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone",GKCNNWJPOJGTLV-UKTHLTGXSA-N
HMDB60354,274.15689457,C17H22O3,COC1=CC(=O)C=C(C\C=C(/C)CCC=C(C)C)C1=O,"InChI=1S/C17H22O3/c1-12(2)6-5-7-13(3)8-9-14-10-15(18)11-16(20-4)17(14)19/h6,8,10-11H,5,7,9H2,1-4H3/b13-8+",CNUQZHQKEQFDPU,MDWZMJQESA,N,"2-Polyprenyl-6-methoxy-1,4-benzoquinone",CNUQZHQKEQFDPU-MDWZMJQESA-N
HMDB60355,260.177630012,C17H24O2,COC1=CC=CC(C\C=C(/C)CCC=C(C)C)=C1O,"InChI=1S/C17H24O2/c1-13(2)7-5-8-14(3)11-12-15-9-6-10-16(19-4)17(15)18/h6-7,9-11,18H,5,8,12H2,1-4H3/b14-11+",ZNGWNKADFSBHQZ,SDNWHVSQSA,N,2-Polyprenyl-6-methoxyphenol,ZNGWNKADFSBHQZ-SDNWHVSQSA-N
HMDB60356,220.182715393,C15H24O,CC(C)=CCC\C(C)=C\CC\C(C)=C\C=O,"InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+",YHRUHBBTQZKMEX,YFVJMOTDSA,N,"2-trans,6-trans-Farnesal",YHRUHBBTQZKMEX-YFVJMOTDSA-N
HMDB60357,111.9482701,C2H2Cl2O,ClC(Cl)C=O,InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H,NWQWQKUXRJYXFH,UHFFFAOYSA,N,"2,2-Dichloroacetaldehyde",NWQWQKUXRJYXFH-UHFFFAOYSA-N
HMDB60358,479.03618341,C16H22BrN3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSC1([H])C(Br)=CC=CC1([H])O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C16H22BrN3O7S/c17-8-2-1-3-11(21)14(8)28-7-10(15(25)19-6-13(23)24)20-12(22)5-4-9(18)16(26)27/h1-3,9-11,14,21H,4-7,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t9-,10-,11?,14?/m0/s1",BYHFLDCNLZPMDY,PXAOEZFJSA,N,"2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene",BYHFLDCNLZPMDY-PXAOEZFJSA-N
HMDB60359,324.172544634,C21H24O3,CC(C)=CCC\C(C)=C\CC12OC1(C)C(=O)C1=CC=CC=C1C2=O,"InChI=1S/C21H24O3/c1-14(2)8-7-9-15(3)12-13-21-19(23)17-11-6-5-10-16(17)18(22)20(21,4)24-21/h5-6,8,10-12H,7,9,13H2,1-4H3/b15-12+",ZEACJJRPAPKYKW,NTCAYCPXSA,N,"2,3-Epoxymenaquinone",ZEACJJRPAPKYKW-NTCAYCPXSA-N
HMDB60360,241.894041641,C6HCl3O4,OC(=O)C(\Cl)=C1/OC(=O)C(Cl)=C1Cl,"InChI=1S/C6HCl3O4/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h(H,10,11)/b4-3+",DDHLNXMDAUDTBS,ONEGZZNKSA,N,"2,3,5-Trichlorodienelactone",DDHLNXMDAUDTBS-ONEGZZNKSA-N
HMDB60361,259.904606327,C6H3Cl3O5,OC(=O)C(Cl)C(=O)C(\Cl)=C(\Cl)C(O)=O,"InChI=1S/C6H3Cl3O5/c7-1(2(8)5(11)12)4(10)3(9)6(13)14/h3H,(H,11,12)(H,13,14)/b2-1-",ADCWUQBAGPEBME,UPHRSURJSA,N,"2,3,5-Trichloromaleylacetate",ADCWUQBAGPEBME-UPHRSURJSA-N
HMDB60362,167.069476547,C7H9N3O2,CC1=C(N)C=C(N)C=C1N(=O)=O,"InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3",DFZSBQYOXAUYCB,UHFFFAOYSA,N,"2,4-Diamino-6-nitrotoluene",DFZSBQYOXAUYCB-UHFFFAOYSA-N
HMDB60363,225.943578652,C6H4Cl2O5,[H]\C(=C(/Cl)C(O)=O)C(=O)C(Cl)C(O)=O,"InChI=1S/C6H4Cl2O5/c7-2(5(10)11)1-3(9)4(8)6(12)13/h1,4H,(H,10,11)(H,12,13)/b2-1+",PLPVRWUZGSFJJB,OWOJBTEDSA,N,"2,5-Dichloro-4-oxohex-2-enedioate",PLPVRWUZGSFJJB-OWOJBTEDSA-N
HMDB60364,207.933013966,C6H2Cl2O4,OC(=O)C(Cl)=C1OC(=O)C(Cl)=C1,"InChI=1S/C6H2Cl2O4/c7-2-1-3(12-6(2)11)4(8)5(9)10/h1H,(H,9,10)",XJQKWSUIZRECMR,UHFFFAOYSA,N,"2,5-Dichloro-carboxymethylenebut-2-en-4-olide",XJQKWSUIZRECMR-UHFFFAOYSA-N
HMDB60365,130.02660868,C5H6O4,OC(=O)C(=O)CCC=O,"InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h3H,1-2H2,(H,8,9)",VHKNBDIQDAXGBL,UHFFFAOYSA,N,"2,5-Dioxopentanoate",VHKNBDIQDAXGBL-UHFFFAOYSA-N
HMDB60366,193.073893223,C10H11NO3,OC(=N)OCC(C=O)C1=CC=CC=C1,"InChI=1S/C10H11NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-6,9H,7H2,(H2,11,13)",XUCMSYZLYLONTH,UHFFFAOYSA,N,3-Carbamoyl-2-phenylpropionaldehyde,XUCMSYZLYLONTH-UHFFFAOYSA-N
HMDB60367,209.068807845,C10H11NO4,OC(=N)OCC(C(O)=O)C1=CC=CC=C1,"InChI=1S/C10H11NO4/c11-10(14)15-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,14)(H,12,13)",AYRIVCKWIAUVOO,UHFFFAOYSA,N,3-Carbamoyl-2-phenylpropionic acid,AYRIVCKWIAUVOO-UHFFFAOYSA-N
HMDB60368,187.987636355,C7H5ClO4,CC1=C(Cl)\C(OC1=O)=C\C(O)=O,"InChI=1S/C7H5ClO4/c1-3-6(8)4(2-5(9)10)12-7(3)11/h2H,1H3,(H,9,10)/b4-2-",OYEYSZZDZDSDCR,RQOWECAXSA,N,3-Chloro-2-methyldienelactone,OYEYSZZDZDSDCR-RQOWECAXSA-N
HMDB60369,205.998201041,C7H7ClO5,C\C(C(O)=O)=C(/Cl)C(=O)CC(O)=O,"InChI=1S/C7H7ClO5/c1-3(7(12)13)6(8)4(9)2-5(10)11/h2H2,1H3,(H,10,11)(H,12,13)/b6-3+",YXWGPDFKFBYCFE,ZZXKWVIFSA,N,3-Chloro-2-methylmaleylacetate,YXWGPDFKFBYCFE-ZZXKWVIFSA-N
HMDB60370,780.605661048,C53H80O4,COC1=C(O)C(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O,"InChI=1S/C53H80O4/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)50(54)52(56)53(57-12)51(49)55/h21,23,25,27,29,31,33,35,37,56H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+",YFPCPZJYSKOLNK,NSCWJZNLSA,N,3-Demethylubiquinone-9,YFPCPZJYSKOLNK-NSCWJZNLSA-N
HMDB60371,186.016437924,C7H6O6,OC(=O)\C=C\C(=O)CC(=O)C(O)=O,"InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1+",AZCFLHZUFANAOR,OWOJBTEDSA,N,3-Fumarylpyruvate,AZCFLHZUFANAOR-OWOJBTEDSA-N
HMDB60372,979.220067365,C32H52N7O20P3S,CC(C)=CCCC(O)(CC(O)=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C32H52N7O20P3S/c1-18(2)6-5-8-32(47,12-21(41)42)13-22(43)63-11-10-34-20(40)7-9-35-29(46)26(45)31(3,4)15-56-62(53,54)59-61(51,52)55-14-19-25(58-60(48,49)50)24(44)30(57-19)39-17-38-23-27(33)36-16-37-28(23)39/h6,16-17,19,24-26,30,44-45,47H,5,7-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t19-,24-,25-,26+,30-,32?/m1/s1",ATTJZXQHBIJXLV,AWVQIHIZSA,N,3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA,ATTJZXQHBIJXLV-AWVQIHIZSA-N
HMDB60373,893.183287929,C28H46N7O18P3S,CC(C)=CC(O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C28H46N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h9,13-14,16-17,21-23,27,36,39-40H,5-8,10-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t16?,17-,21-,22-,23+,27-/m1/s1",OLZYNLSKRKFUJC,FPVIQYCMSA,N,3-Hydroxy-5-methylhex-4-enoyl-CoA,OLZYNLSKRKFUJC-FPVIQYCMSA-N
HMDB60374,167.058243159,C8H9NO3,COC1=CC=CC(C(O)=O)=C1N,"InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)",SXOPCLUOUFQBJV,UHFFFAOYSA,N,3-Methoxyanthranilate,SXOPCLUOUFQBJV-UHFFFAOYSA-N
HMDB60375,1001.240802807,C35H54N7O19P3S,CC\C=C/C[C@H]1[C@@H](CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)CCC1=O,"InChI=1S/C35H54N7O19P3S/c1-4-5-6-7-22-20(8-9-23(22)44)14-21(43)15-26(46)65-13-12-37-25(45)10-11-38-33(49)30(48)35(2,3)17-58-64(55,56)61-63(53,54)57-16-24-29(60-62(50,51)52)28(47)34(59-24)42-19-41-27-31(36)39-18-40-32(27)42/h5-6,18-20,22,24,28-30,34,47-48H,4,7-17H2,1-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/b6-5-/t20-,22+,24-,28-,29-,30+,34-/m1/s1",QGJLCXXJEFRWHP,JQUKJZMASA,N,3-Oxo-OPC4-CoA,QGJLCXXJEFRWHP-JQUKJZMASA-N
HMDB60376,1029.272102935,C37H58N7O19P3S,CC\C=C/C[C@H]1[C@@H](CCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)CCC1=O,"InChI=1S/C37H58N7O19P3S/c1-4-5-6-10-24-22(11-12-25(24)46)8-7-9-23(45)17-28(48)67-16-15-39-27(47)13-14-40-35(51)32(50)37(2,3)19-60-66(57,58)63-65(55,56)59-18-26-31(62-64(52,53)54)30(49)36(61-26)44-21-43-29-33(38)41-20-42-34(29)44/h5-6,20-22,24,26,30-32,36,49-50H,4,7-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b6-5-/t22-,24-,26+,30+,31+,32-,36+/m0/s1",ADGIRVMSHGGGHU,AZVXSVFWSA,N,3-Oxo-OPC6-CoA,ADGIRVMSHGGGHU-AZVXSVFWSA-N
HMDB60377,1057.303403063,C39H62N7O19P3S,CC\C=C/C[C@H]1[C@@H](CCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)CCC1=O,"InChI=1S/C39H62N7O19P3S/c1-4-5-7-12-26-24(13-14-27(26)48)10-8-6-9-11-25(47)19-30(50)69-18-17-41-29(49)15-16-42-37(53)34(52)39(2,3)21-62-68(59,60)65-67(57,58)61-20-28-33(64-66(54,55)56)32(51)38(63-28)46-23-45-31-35(40)43-22-44-36(31)46/h5,7,22-24,26,28,32-34,38,51-52H,4,6,8-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/b7-5-/t24-,26-,28+,32+,33+,34-,38+/m0/s1",YYCCMACTOAJGGW,OZVHGMPNSA,N,3-Oxo-OPC8-CoA,YYCCMACTOAJGGW-OZVHGMPNSA-N
HMDB60378,909.141817045,C27H42N7O20P3S,[H][C@](O)(C(O)=NCCC(O)=NCCSC(=O)CC(=O)CCC(O)=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C27H42N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15,20-22,26,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t15-,20-,21-,22+,26-/m1/s1",VKKKAAPGXHWXOO,BIEWRJSYSA,N,3-Oxoadipyl-CoA,VKKKAAPGXHWXOO-BIEWRJSYSA-N
HMDB60379,304.167459256,C18H24O4,COC1=C(O)C(C\C=C(/C)CCC=C(C)C)=CC(=C1)C(O)=O,"InChI=1S/C18H24O4/c1-12(2)6-5-7-13(3)8-9-14-10-15(18(20)21)11-16(22-4)17(14)19/h6,8,10-11,19H,5,7,9H2,1-4H3,(H,20,21)/b13-8+",HKFHKFTYNQVIHQ,MDWZMJQESA,N,3-Polyprenyl-4-hydroxy-5-methoxybenzoate,HKFHKFTYNQVIHQ-MDWZMJQESA-N
HMDB60380,290.151809192,C17H22O4,CC(C)=CCC\C(C)=C\CC1=CC(=CC(O)=C1O)C(O)=O,"InChI=1S/C17H22O4/c1-11(2)5-4-6-12(3)7-8-13-9-14(17(20)21)10-15(18)16(13)19/h5,7,9-10,18-19H,4,6,8H2,1-3H3,(H,20,21)/b12-7+",GJZLZMVQYJZMIO,KPKJPENVSA,N,"3-Polyprenyl-4,5-dihydroxybenzoate",GJZLZMVQYJZMIO-KPKJPENVSA-N
HMDB60381,479.03618341,C16H22BrN3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSC1([H])C=CC(Br)=CC1([H])O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C16H22BrN3O7S/c17-8-1-3-12(11(21)5-8)28-7-10(15(25)19-6-14(23)24)20-13(22)4-2-9(18)16(26)27/h1,3,5,9-12,21H,2,4,6-7,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t9-,10-,11?,12?/m0/s1",WIPMNDWTVDZAHE,JYBOHDQNSA,N,"3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene",WIPMNDWTVDZAHE-JYBOHDQNSA-N
HMDB60382,396.197044824,C21H32O5S,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1",DIJBBUIOWGGQOP,QGVNFLHTSA,N,3beta-Hydroxypregn-5-en-20-one sulfate,DIJBBUIOWGGQOP-QGVNFLHTSA-N
HMDB60383,385.148514727,C16H23N3O8,CN(CCCC(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CN=CC=C1)N=O,"InChI=1S/C16H23N3O8/c1-19(18-25)7-3-5-10(9-4-2-6-17-8-9)26-16-13(22)11(20)12(21)14(27-16)15(23)24/h2,4,6,8,10-14,16,20-22H,3,5,7H2,1H3,(H,23,24)/t10?,11-,12-,13+,14-,16+/m0/s1",KNPUXTWHFSLCDT,BBYIEOQPSA,N,4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide,KNPUXTWHFSLCDT-BBYIEOQPSA-N
HMDB60384,209.080041233,C9H11N3O3,CC(O)=NC1=CC(N)=C(C)C(=C1)N(=O)=O,"InChI=1S/C9H11N3O3/c1-5-8(10)3-7(11-6(2)13)4-9(5)12(14)15/h3-4H,10H2,1-2H3,(H,11,13)",VVBFFAYCAFLAAG,UHFFFAOYSA,N,4-Acetamido-2-amino-6-nitrotoluene,VVBFFAYCAFLAAG-UHFFFAOYSA-N
HMDB60385,144.089877638,C6H12N2O2,NC1CCN(CC1)C(O)=O,"InChI=1S/C6H12N2O2/c7-5-1-3-8(4-2-5)6(9)10/h5H,1-4,7H2,(H,9,10)",NQNQKLBWDARKDG,UHFFFAOYSA,N,4-Amino-1-piperidinecarboxylic acid,NQNQKLBWDARKDG-UHFFFAOYSA-N
HMDB60386,160.017186853,C6H5FO4,OC(=O)CC1(F)OC(=O)C=C1,"InChI=1S/C6H5FO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)",JWTRAEIUKUKVDW,UHFFFAOYSA,N,4-Fluoromuconolactone,JWTRAEIUKUKVDW-UHFFFAOYSA-N
HMDB60387,565.092975577,C17H30Cl2N5O8PS,NC(CCC(O)=NC(CSC1CCOP(=O)(N1)N(CCCl)CCCl)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C17H30Cl2N5O8PS/c18-4-6-24(7-5-19)33(31)23-14(3-8-32-33)34-10-12(16(28)21-9-15(26)27)22-13(25)2-1-11(20)17(29)30/h11-12,14H,1-10,20H2,(H,21,28)(H,22,25)(H,23,31)(H,26,27)(H,29,30)",CXEDBYAXQXFDHD,UHFFFAOYSA,N,4-Glutathionyl cyclophosphamide,CXEDBYAXQXFDHD-UHFFFAOYSA-N
HMDB60388,274.15689457,C17H22O3,CC(C)=CCC\C(C)=C\CC1=CC(=CC=C1O)C(O)=O,"InChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)7-8-14-11-15(17(19)20)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3,(H,19,20)/b13-7+",HKIMBCGCVPYUTJ,NTUHNPAUSA,N,4-Hydroxy-3-polyprenylbenzoate,HKIMBCGCVPYUTJ-NTUHNPAUSA-N
HMDB60389,193.073893223,C10H11NO3,OC1N=C(O)OCC1C1=CC=CC=C1,"InChI=1S/C10H11NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13)",XZZMJRBYVRSAOS,UHFFFAOYSA,N,"4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one",XZZMJRBYVRSAOS-UHFFFAOYSA-N
HMDB60390,152.047344122,C8H8O3,CC(=O)OC1=CC=C(O)C=C1,"InChI=1S/C8H8O3/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,10H,1H3",HBMCQTHGYMTCOF,UHFFFAOYSA,N,4-Hydroxyphenyl acetate,HBMCQTHGYMTCOF-UHFFFAOYSA-N
HMDB60391,575.172620987,C30H29N3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSC1([H])C2=CC3=CC=CC=C3C3=C2C2=C(C=CC=C2C1([H])O)C=C3)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C30H29N3O7S/c31-21(30(39)40)10-11-23(34)33-22(29(38)32-13-24(35)36)14-41-28-20-12-16-4-1-2-6-17(16)18-9-8-15-5-3-7-19(27(28)37)25(15)26(18)20/h1-9,12,21-22,27-28,37H,10-11,13-14,31H2,(H,32,38)(H,33,34)(H,35,36)(H,39,40)/t21-,22-,27?,28?/m0/s1",PZXCOGFLSNREMF,SUZCJKPRSA,N,"4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene",PZXCOGFLSNREMF-SUZCJKPRSA-N
HMDB60392,893.146902423,C27H42N7O19P3S,O[C@H](C(C)(C)COP(=O)(O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCC(O)=O,"InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h4,6,13-15,20-22,26,39-40H,3,5,7-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b6-4+/t15-,20-,21-,22+,26-/m1/s1",ZFXICKRXPZTFPB,KCQRSJHASA,N,5-Carboxy-2-pentenoyl-CoA,ZFXICKRXPZTFPB-KCQRSJHASA-N
HMDB60393,214.024239218,C5H11O7P,C[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O,"InChI=1S/C5H11O7P/c1-2-3(6)4(7)5(11-2)12-13(8,9)10/h2-7H,1H3,(H2,8,9,10)/t2-,3-,4-,5-/m1/s1",XXQFKXPJJNBLSU,TXICZTDVSA,N,5-Deoxyribose-1-phosphate,XXQFKXPJJNBLSU-TXICZTDVSA-N
HMDB60394,326.031530087,C9H12FN2O8P,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(O)=NC1=O,"InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1",HFEKDTCAMMOLQP,RRKCRQDMSA,N,5-Fluorodeoxyuridine monophosphate,HFEKDTCAMMOLQP-RRKCRQDMSA-N
HMDB60395,160.017186853,C6H5FO4,OC(=O)C(F)C1OC(=O)C=C1,"InChI=1S/C6H5FO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)",YVULEJQYAMRENW,UHFFFAOYSA,N,5-Fluoromuconolactone,YVULEJQYAMRENW-UHFFFAOYSA-N
HMDB60396,262.060114299,C9H11FN2O6,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=O)NC1=O,"InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1",FHIDNBAQOFJWCA,UAKXSSHOSA,N,5-Fluorouridine,FHIDNBAQOFJWCA-UAKXSSHOSA-N
HMDB60397,342.026444709,C9H12FN2O9P,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(O)=NC1=O,"InChI=1S/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1",RNBMPPYRHNWTMA,UAKXSSHOSA,N,5-Fluorouridine monophosphate,RNBMPPYRHNWTMA-UAKXSSHOSA-N
HMDB60398,196.073558872,C10H12O4,COC1=CC(\C=C\CO)=CC(O)=C1O,"InChI=1S/C10H12O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-3,5-6,11-13H,4H2,1H3/b3-2+",NPNAJGCZQBQWQZ,NSCUHMNNSA,N,5-Hydroxyconiferyl alcohol,NPNAJGCZQBQWQZ-NSCUHMNNSA-N
HMDB60399,891.167637865,C28H44N7O18P3S,CC(C)=CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C28H44N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h9,13-14,17,21-23,27,39-40H,5-8,10-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,21-,22-,23+,27-/m1/s1",ZFKZVSUJTDSJEY,SVHODSNWSA,N,5-Methyl-3-oxo-4-hexenoyl-CoA,ZFKZVSUJTDSJEY-SVHODSNWSA-N
HMDB60400,191.058243159,C10H9NO3,OC1=NC(=O)OCC1C1=CC=CC=C1,"InChI=1S/C10H9NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)",YPIQXPKZXKWWSZ,UHFFFAOYSA,N,"5-Phenyl-1,3-oxazinane-2,4-dione",YPIQXPKZXKWWSZ-UHFFFAOYSA-N
HMDB60401,788.262965934,C31H45N6O16P,C[C@@H]1[C@H]2[C@H](C)NC3=C(N2CN1C1=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)C=C1)C(O)=NC(=N)N3,"InChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1",GBMIGEWJAPFSQI,CAFBYHECSA,N,"5,10-Methylenetetrahydromethanopterin",GBMIGEWJAPFSQI-CAFBYHECSA-N
HMDB60402,132.033505619,C4H5FN2O2,OC1=NCC(F)C(O)=N1,"InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)",RAIRJKWTBBDDAR,UHFFFAOYSA,N,"5,6-Dihydro-5-fluorouracil",RAIRJKWTBBDDAR-UHFFFAOYSA-N
HMDB60403,776.262965934,C30H45N6O16P,C[C@@H](NC1=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)C=C1)[C@@H]1NC2=C(N[C@H]1C)NC(=N)N=C2O,"InChI=1S/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18+,19-,21+,23+,24-,25-,29+/m1/s1",SCBIBGUJSMHIAI,LHIIQLEZSA,N,"5,6,7,8-Tetrahydromethanopterin",SCBIBGUJSMHIAI-LHIIQLEZSA-N
HMDB60404,396.33921603,C28H44O,CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26?,27+,28-/m1/s1",ZEPNVCGPJXYABB,CPGDAPNVSA,N,"5,7,24(28)-Ergostatrienol",ZEPNVCGPJXYABB-CPGDAPNVSA-N
HMDB60405,245.081184092,C9H12FN3O4,C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=N)N=C1O,"InChI=1S/C9H12FN3O4/c1-3-5(14)6(15)8(17-3)13-2-4(10)7(11)12-9(13)16/h2-3,5-6,8,14-15H,1H3,(H2,11,12,16)/t3-,5-,6-,8-/m1/s1",YSNABXSEHNLERR,ZIYNGMLESA,N,5'-Deoxy-5-fluorocytidine,YSNABXSEHNLERR-ZIYNGMLESA-N
HMDB60406,246.065199677,C9H11FN2O5,C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(O)=NC1=O,"InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1",ZWAOHEXOSAUJHY,ZIYNGMLESA,N,5'-Deoxy-5-fluorouridine,ZWAOHEXOSAUJHY-ZIYNGMLESA-N
HMDB60407,332.23514489,C21H32O3,C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO,"InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1",USPYDUPOCUYHQL,KVHKMPIWSA,N,5alpha-Dihydrodeoxycorticosterone,USPYDUPOCUYHQL-KVHKMPIWSA-N
HMDB60408,318.255880332,C21H34O2,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1",DYVGYXXLXQESJE,SKLBOBKVSA,N,5alpha-Pregnan-20alpha-ol-3-one,DYVGYXXLXQESJE-SKLBOBKVSA-N
HMDB60409,320.271530396,C21H36O2,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20-,21+/m0/s1",YWYQTGBBEZQBGO,CGVINKDUSA,N,"5alpha-Pregnane-3alpha,20alpha-diol",YWYQTGBBEZQBGO-CGVINKDUSA-N
HMDB60410,211.070539179,C7H9N5O3,NC1=NC2=C(NC(CN2)C(O)=O)C(=O)N1,"InChI=1S/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)",QSIYONWVWDSRRO,UHFFFAOYSA,N,"6-Carboxy-5,6,7,8-tetrahydropterin",QSIYONWVWDSRRO-UHFFFAOYSA-N
HMDB60411,523.956916812,C10H15N4O13P3S,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2S,"InChI=1S/C10H15N4O13P3S/c15-6-4(1-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)31/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,22,23)(H,11,12,31)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1",GQNRDWAOABGWGP,KQYNXXCUSA,N,6-Mercaptopurine ribonucleoside triphosphate,GQNRDWAOABGWGP-KQYNXXCUSA-N
HMDB60412,166.031316902,C6H6N4S,CSC1=NC=NC2=C1N=CN2,"InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)",UIJIQXGRFSPYQW,UHFFFAOYSA,N,6-Methylmercaptopurine,UIJIQXGRFSPYQW-UHFFFAOYSA-N
HMDB60413,393.050805093,C11H16N5O7PS,CSC1=NC(=N)NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C11H16N5O7PS/c1-25-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1",QJRQZGPABIMRAZ,KQYNXXCUSA,N,6-Methylthioguanosine monophosphate,QJRQZGPABIMRAZ-KQYNXXCUSA-N
HMDB60414,378.039906056,C11H15N4O7PS,CSC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C11H15N4O7PS/c1-24-10-6-9(12-3-13-10)15(4-14-6)11-8(17)7(16)5(22-11)2-21-23(18,19)20/h3-5,7-8,11,16-17H,2H2,1H3,(H2,18,19,20)/t5-,7-,8-,11-/m1/s1",BMYFUCYXRGTQQL,IOSLPCCCSA,N,6-Methylthiopurine 5'-monophosphate ribonucleotide,BMYFUCYXRGTQQL-IOSLPCCCSA-N
HMDB60415,379.035155029,C10H14N5O7PS,NC1=NC(=S)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1",BPZXYEUJBFHASJ,UUOKFMHZSA,N,6-Thioguanosine monophosphate,BPZXYEUJBFHASJ-UUOKFMHZSA-N
HMDB60416,364.024255992,C10H13N4O7PS,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2S,"InChI=1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1",ZKRFOXLVOKTUTA,KQYNXXCUSA,N,6-Thioinosine-5'-monophosphate,ZKRFOXLVOKTUTA-KQYNXXCUSA-N
HMDB60417,184.005496082,C5H4N4O2S,OC1=NC2=C(N1)N=C(O)N=C2S,"InChI=1S/C5H4N4O2S/c10-4-6-1-2(7-4)8-5(11)9-3(1)12/h(H4,6,7,8,9,10,11,12)",SXHQUGJSTGOXMD,UHFFFAOYSA,N,6-Thiourate,SXHQUGJSTGOXMD-UHFFFAOYSA-N
HMDB60418,380.019170614,C10H13N4O8PS,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2S,"InChI=1S/C10H13N4O8PS/c15-5-3(1-21-23(18,19)20)22-9(6(5)16)14-2-11-4-7(14)12-10(17)13-8(4)24/h2-3,5-6,9,15-16H,1H2,(H2,18,19,20)(H2,12,13,17,24)/t3-,5-,6-,9-/m1/s1",WMRIOGFRJLQENF,UUOKFMHZSA,N,6-Thioxanthine 5'-monophosphate,WMRIOGFRJLQENF-UUOKFMHZSA-N
HMDB60419,272.120115134,C20H16O,CC1=C2C3=CC=CC=C3C=CC2=C(CO)C2=CC=CC=C12,"InChI=1S/C20H16O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11,21H,12H2,1H3",JCBBZYDVQJQMMB,UHFFFAOYSA,N,7-Hydroxymethyl-12-methylbenz[a]anthracene,JCBBZYDVQJQMMB-UHFFFAOYSA-N
HMDB60420,352.07692969,C20H16O4S,CC1=C2C3=CC=CC=C3C=CC2=C(COS(O)(=O)=O)C2=CC=CC=C12,"InChI=1S/C20H16O4S/c1-13-15-7-4-5-9-17(15)19(12-24-25(21,22)23)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3,(H,21,22,23)",WYUDBEMLROEPHR,UHFFFAOYSA,N,7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate,WYUDBEMLROEPHR-UHFFFAOYSA-N
HMDB60421,919.198937993,C30H48N7O18P3S,CC(C)=CCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C30H48N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h6,15-16,19,23-25,29,41-42H,5,7-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/m1/s1",LPMIXVANMSEERY,FUEUKBNZSA,N,7-Methyl-3-oxo-6-octenoyl-CoA,LPMIXVANMSEERY-FUEUKBNZSA-N
HMDB60422,272.120115134,C20H16O,CC1=C2C3OC3C3=CC=CC=C3C2=C(C)C2=CC=CC=C12,"InChI=1S/C20H16O/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19-20(18)21-19/h3-10,19-20H,1-2H3",HVGNLIKFFBYBQM,UHFFFAOYSA,N,"7,12-Dimethylbenz[a]anthracene 5,6-oxide",HVGNLIKFFBYBQM-UHFFFAOYSA-N
HMDB60423,575.172620987,C30H29N3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSC1([H])C=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2C1([H])O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C30H29N3O7S/c31-21(30(39)40)9-11-24(34)33-22(29(38)32-13-25(35)36)14-41-23-10-8-18-19-7-6-16-3-1-2-15-4-5-17(27(19)26(15)16)12-20(18)28(23)37/h1-8,10,12,21-23,28,37H,9,11,13-14,31H2,(H,32,38)(H,33,34)(H,35,36)(H,39,40)/t21-,22-,23?,28?/m0/s1",GODDWIDSELPRPA,QMIJOYDGSA,N,"7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene",GODDWIDSELPRPA-QMIJOYDGSA-N
HMDB60424,332.23514489,C21H32O3,CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C21H32O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-19,23-24H,4-10H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1",UEWNVBNIVGLQPG,XXHSLLPRSA,N,7alpha-Hydroxypregnenolone,UEWNVBNIVGLQPG-XXHSLLPRSA-N
HMDB60425,416.329045274,C27H44O3,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C27H44O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h15,17,20-24,29-30H,6-14,16H2,1-5H3/t17-,20-,21+,22+,23-,24+,26+,27-/m1/s1",POUKDTOWHPHYQU,HENOKILYSA,N,"7alpha,25-Dihydroxy-4-cholesten-3-one",POUKDTOWHPHYQU-HENOKILYSA-N
HMDB60426,219.053157781,C11H9NO4,COC1=CC=CC2=C(O)C=C(N=C12)C(O)=O,"InChI=1S/C11H9NO4/c1-16-9-4-2-3-6-8(13)5-7(11(14)15)12-10(6)9/h2-5H,1H3,(H,12,13)(H,14,15)",BXZSKDOPGDPDEG,UHFFFAOYSA,N,8-Methoxykynurenate,BXZSKDOPGDPDEG-UHFFFAOYSA-N
HMDB60427,85.052763851,C4H7NO,CC(C)(O)C#N,"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3",MWFMGBPGAXYFAR,UHFFFAOYSA,N,Acetone cyanohydrin,MWFMGBPGAXYFAR-UHFFFAOYSA-N
HMDB60428,74.048012824,C2H6N2O,CC(O)=NN,"InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)",OFLXLNCGODUUOT,UHFFFAOYSA,N,Acetylhydrazine,OFLXLNCGODUUOT-UHFFFAOYSA-N
HMDB60429,1186.461960915,C55H73CoN11O15,[Co++].[CH2][C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12.[H][C@]12N=C(C(C)=C3N=C(C=C4N=C(C(C)=C5N[C@]1(C)[C@@](C)(CC(O)=N)[C@@H]5CCC(O)=O)[C@@](C)(CC([NH-])=O)[C@@H]4CCC(O)=O)C(C)(C)[C@@H]3CCC(O)=O)[C@](C)(CCC(O)=O)[C@H]2CC(O)=O,"InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1",OCNLJCZKGHKJGF,NQYRMHKHSA,M,"adenosylcob(III)yrinic acid a,c-diamide",OCNLJCZKGHKJGF-NQYRMHKHSA-M
HMDB60430,346.068867424,C17H14O8,COC1=CC2=C([C@@H]3[C@@H](O)[C@H](O)O[C@@H]3O2)C2=C1C1=C(C(=O)CC1)C(=O)O2,"InChI=1S/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13-,16-,17+/m1/s1",JRZBEIPOZPNWID,KFZJALRRSA,N,Aflatoxin B1 diol,JRZBEIPOZPNWID-KFZJALRRSA-N
HMDB60431,635.142108719,C27H29N3O13S,COC1=CC2=C(C3[C@@H](O)[C@@H](OC3O2)SCC(N=C(O)CCC(N)C(O)=O)C(O)=NCC(O)=O)C2=C1C1=C(C(=O)CC1)C(=O)O2,"InChI=1S/C27H29N3O13S/c1-40-13-6-14-19(22-18(13)9-2-4-12(31)17(9)25(39)42-22)20-21(35)27(43-26(20)41-14)44-8-11(23(36)29-7-16(33)34)30-15(32)5-3-10(28)24(37)38/h6,10-11,20-21,26-27,35H,2-5,7-8,28H2,1H3,(H,29,36)(H,30,32)(H,33,34)(H,37,38)/t10?,11?,20?,21-,26?,27+/m1/s1",LYDBAPNRLUDIAS,NCQSKUNESA,N,"Aflatoxin B1exo-8,9-epoxide-GSH",LYDBAPNRLUDIAS-NCQSKUNESA-N
HMDB60432,278.035384346,C7H17Cl2N2O3P,NP(=O)(OCCCO)N(CCCl)CCCl,"InChI=1S/C7H17Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h12H,1-7H2,(H2,10,13)",BZGFIGVSVQRQBJ,UHFFFAOYSA,N,Alcophosphamide,BZGFIGVSVQRQBJ-UHFFFAOYSA-N
HMDB60433,276.019734282,C7H15Cl2N2O3P,NP(=O)(OCCC=O)N(CCCl)CCCl,"InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h6H,1-5,7H2,(H2,10,13)",QMGUSPDJTPDFSF,UHFFFAOYSA,N,Aldophosphamide,QMGUSPDJTPDFSF-UHFFFAOYSA-N
HMDB60434,107.038256646,C3H6FNO2,NCC(F)C(O)=O,"InChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)",OJQNRNQELNLWHH,UHFFFAOYSA,N,alpha-Fluoro-beta-alanine,OJQNRNQELNLWHH-UHFFFAOYSA-N
HMDB60435,150.044070305,C4H7FN2O3,OC(=N)NCC(F)C(O)=O,"InChI=1S/C4H7FN2O3/c5-2(3(8)9)1-7-4(6)10/h2H,1H2,(H,8,9)(H3,6,7,10)",FKTHAKABFGARQH,UHFFFAOYSA,N,alpha-Fluoro-beta-ureidopropionic acid,FKTHAKABFGARQH-UHFFFAOYSA-N
HMDB60436,259.045702941,C6H14NO8P,N[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC1(O)CO,"InChI=1S/C6H14NO8P/c7-5-4(9)3(1-14-16(11,12)13)15-6(5,10)2-8/h3-5,8-10H,1-2,7H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1",KYORZMSTOXVELJ,VRPWFDPXSA,N,Aminofructose 6-phosphate,KYORZMSTOXVELJ-VRPWFDPXSA-N
HMDB60437,292.240230268,C19H32O2,CC12CCC3C(CCC4C[C@H](O)CCC34C)C1CC[C@@H]2O,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,17+,18?,19?/m1/s1",CBMYJHIOYJEBSB,RLSXWVIDSA,N,"Androstan-3alpha,17beta-diol",CBMYJHIOYJEBSB-RLSXWVIDSA-N
HMDB60438,286.099379692,C20H14O2,OC1C=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2C1O,"InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H",YDXRLMMGARHIIC,UHFFFAOYSA,N,"Benzo[a]pyrene-7,8-diol",YDXRLMMGARHIIC-UHFFFAOYSA-N
HMDB60439,268.088815006,C20H12O,O1C2C=CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3C12,"InChI=1S/C20H12O/c1-2-11-4-5-13-10-16-14(8-9-17-20(16)21-17)15-7-6-12(3-1)18(11)19(13)15/h1-10,17,20H",OLLMQFHYRYHKTD,UHFFFAOYSA,N,"Benzo[a]pyrene-7,8-oxide",OLLMQFHYRYHKTD-UHFFFAOYSA-N
HMDB60440,202.003109846,C7H7O5P,OP(O)(=O)OC(=O)C1=CC=CC=C1,"InChI=1S/C7H7O5P/c8-7(12-13(9,10)11)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)",SYLLWWIXOMLOPY,UHFFFAOYSA,N,Benzoyl phosphate,SYLLWWIXOMLOPY-UHFFFAOYSA-N
HMDB60441,245.148789499,C9H19N5O3,NCCC(O)=N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C9H19N5O3/c10-4-3-7(15)14-6(8(16)17)2-1-5-13-9(11)12/h6H,1-5,10H2,(H,14,15)(H,16,17)(H4,11,12,13)/t6-/m0/s1",DLRGFJGVZXSSTP,LURJTMIESA,N,beta-Alanyl-L-arginine,DLRGFJGVZXSSTP-LURJTMIESA-N
HMDB60442,217.142641489,C9H19N3O3,[H][C@@](CCCCN)(N=C(O)CCN)C(O)=O,"InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1",PLDCWKCPEXNWJH,ZETCQYMHSA,N,beta-Alanyl-L-lysine,PLDCWKCPEXNWJH-ZETCQYMHSA-N
HMDB60443,552.433116414,C40H56O,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C1OC1\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C40H56O/c1-29(21-23-35-33(5)19-13-25-39(35,7)8)15-11-17-31(3)27-37-38(41-37)28-32(4)18-12-16-30(2)22-24-36-34(6)20-14-26-40(36,9)10/h11-12,15-18,21-24,27-28,37-38H,13-14,19-20,25-26H2,1-10H3/b17-11+,18-12+,23-21+,24-22+,29-15+,30-16+,31-27+,32-28+",AULCUSCIZQQSMU,WDJSDFAOSA,N,"beta-Carotene-15,15'-epoxide",AULCUSCIZQQSMU-WDJSDFAOSA-N
HMDB60444,339.996048936,C6H14O12P2,O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O,"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1",RNBGYGVWRKECFJ,ARQDHWQXSA,N,"beta-D-Fructose 1,6-bisphosphate",RNBGYGVWRKECFJ-ARQDHWQXSA-N
HMDB60445,189.962942115,C6H7BrO2,OC1C=CC=C(Br)C1O,"InChI=1S/C6H7BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H",KLPGXZKAVBGFGF,UHFFFAOYSA,N,"Bromobenzene-2,3-dihydrodiol",KLPGXZKAVBGFGF-UHFFFAOYSA-N
HMDB60446,171.952377429,C6H5BrO,BrC1=CC=CC2OC12,"InChI=1S/C6H5BrO/c7-4-2-1-3-5-6(4)8-5/h1-3,5-6H",RLBVUCNBWFGERE,UHFFFAOYSA,N,"Bromobenzene-2,3-oxide",RLBVUCNBWFGERE-UHFFFAOYSA-N
HMDB60447,189.962942115,C6H7BrO2,OC1C=CC(Br)=CC1O,"InChI=1S/C6H7BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,5-6,8-9H",MWJZOLXUCNEWFL,UHFFFAOYSA,N,"Bromobenzene-3,4-dihydrodiol",MWJZOLXUCNEWFL-UHFFFAOYSA-N
HMDB60448,171.952377429,C6H5BrO,BrC1=CC2OC2C=C1,"InChI=1S/C6H5BrO/c7-4-1-2-5-6(3-4)8-5/h1-3,5-6H",FVTNDWDQRAAPCD,UHFFFAOYSA,N,"Bromobenzene-3,4-oxide",FVTNDWDQRAAPCD-UHFFFAOYSA-N
HMDB60449,292.014648904,C7H15Cl2N2O4P,NP(=O)(OCCC(O)=O)N(CCCl)CCCl,"InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13)",QLAKAJLYYGOZQL,UHFFFAOYSA,N,Carboxyphosphamide,QLAKAJLYYGOZQL-UHFFFAOYSA-N
HMDB60450,415.104935353,C16H21N3O8S,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N=C(O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O,"InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1",HOKIDJSKDBPKTQ,GLXFQSAKSA,N,Cephalosporin C,HOKIDJSKDBPKTQ-GLXFQSAKSA-N
HMDB60451,163.919862461,C2H3Cl3O2,OC(O)C(Cl)(Cl)Cl,"InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H",RNFNDJAIBTYOQL,UHFFFAOYSA,N,Chloral hydrate,RNFNDJAIBTYOQL-UHFFFAOYSA-N
HMDB60452,111.9482701,C2H2Cl2O,ClCC(Cl)=O,InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2,VGCXGMAHQTYDJK,UHFFFAOYSA,N,Chloroacetyl chloride,VGCXGMAHQTYDJK-UHFFFAOYSA-N
HMDB60453,489.115225267,C16H27NO14S,CO[C@@H]1O[C@H](COS(O)(=O)=O)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](C)[C@H](O)[C@H]2O)C(O)=O)[C@H]1N=C(C)O,"InChI=1S/C16H27NO14S/c1-5-9(19)11(21)16(30-12(5)14(22)23)31-13-8(17-6(2)18)15(27-3)29-7(10(13)20)4-28-32(24,25)26/h5,7-13,15-16,19-21H,4H2,1-3H3,(H,17,18)(H,22,23)(H,24,25,26)/t5-,7+,8+,9-,10-,11+,12-,13+,15+,16-/m0/s1",RLZVAVSONNOXKH,KWXMYFLUSA,N,Chondroitin 6'-sulfate,RLZVAVSONNOXKH-KWXMYFLUSA-N
HMDB60454,409.158410711,C16H27NO11,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](C)[C@H](O)[C@H]2O)C(O)=O)[C@H]1N=C(C)O,"InChI=1S/C16H27NO11/c1-5-9(20)11(22)16(27-12(5)14(23)24)28-13-8(17-6(2)19)15(25-3)26-7(4-18)10(13)21/h5,7-13,15-16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24)/t5-,7+,8+,9-,10-,11+,12-,13+,15+,16-/m0/s1",CQQZQIXOOJJXET,KWXMYFLUSA,N,Chondroitin D-glucuronate,CQQZQIXOOJJXET-KWXMYFLUSA-N
HMDB60455,173.971986291,C6H3ClO4,OC(=O)C=C1OC(=O)C(Cl)=C1,"InChI=1S/C6H3ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1-2H,(H,8,9)",ADSGHWJRPOXXTD,UHFFFAOYSA,N,"cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide",ADSGHWJRPOXXTD-UHFFFAOYSA-N
HMDB60456,92.002892489,C3H5ClO,OC\C=C/Cl,"InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2/b2-1-",HJGHXDNIPAWLLE,UPHRSURJSA,N,cis-3-Chloro-2-propene-1-ol,HJGHXDNIPAWLLE-UPHRSURJSA-N
HMDB60457,105.982157047,C3H3ClO2,OC(=O)\C=C/Cl,"InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1-",MHMUCYJKZUZMNJ,UPHRSURJSA,N,cis-3-Chloroacrylic acid,MHMUCYJKZUZMNJ-UPHRSURJSA-N
HMDB60458,89.987242425,C3H3ClO,Cl\C=C/C=O,InChI=1S/C3H3ClO/c4-2-1-3-5/h1-3H/b2-1-,ZSOPPQGHWJVKJB,UPHRSURJSA,N,cis-3-Chloroallyl aldehyde,ZSOPPQGHWJVKJB-UPHRSURJSA-N
HMDB60459,140.010958616,C6H4O4,OC(=O)\C=C1\OC(=O)C=C1,"InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8)/b4-3+",AYFXPGXAZMFWNH,ONEGZZNKSA,N,cis-4-Carboxymethylenebut-2-en-4-olide,AYFXPGXAZMFWNH-ONEGZZNKSA-N
HMDB60460,131.058243159,C5H9NO3,O[C@H]1CN[C@H](C1)C(O)=O,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1",PMMYEEVYMWASQN,QWWZWVQMSA,N,cis-4-Hydroxy-D-proline,PMMYEEVYMWASQN-QWWZWVQMSA-N
HMDB60461,114.031694058,C5H6O3,[H]\C(=C(/[H])C(O)=O)C(C)=O,"InChI=1S/C5H6O3/c1-4(6)2-3-5(7)8/h2-3H,1H3,(H,7,8)/b3-2-",XGTKSWVCNVUVHG,IHWYPQMZSA,N,cis-Acetylacrylate,XGTKSWVCNVUVHG-IHWYPQMZSA-N
HMDB60462,295.100856902,C18H14FNO2,FC1=CC=C(C=C1)C1(CCC=O)OCC2=C1C=CC(=C2)C#N,"InChI=1S/C18H14FNO2/c19-16-5-3-15(4-6-16)18(8-1-9-21)17-7-2-13(11-20)10-14(17)12-22-18/h2-7,9-10H,1,8,12H2",BBYAFETUIKMLSF,UHFFFAOYSA,N,Citalopram aldehyde,BBYAFETUIKMLSF-UHFFFAOYSA-N
HMDB60463,311.095771524,C18H14FNO3,OC(=O)CCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,"InChI=1S/C18H14FNO3/c19-15-4-2-14(3-5-15)18(8-7-17(21)22)16-6-1-12(10-20)9-13(16)11-23-18/h1-6,9H,7-8,11H2,(H,21,22)",JSYNRZJODZWUKX,UHFFFAOYSA,N,Citalopram propionic acid,JSYNRZJODZWUKX-UHFFFAOYSA-N
HMDB60464,475.184231531,C24H29NO9,[H][C@]12C=C[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4OC,"InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18+,20-,21-,23+,24-/m0/s1",CRWVOYRJXPDBPM,HSCJLHHPSA,N,Codeine-6-glucuronide,CRWVOYRJXPDBPM-HSCJLHHPSA-N
HMDB60465,674.099953928,C20H24N10O13P2,NC1=C2N=CN([C@@H]3O[C@@H]4COP(O)(=O)O[C@@H]5[C@@H](COP(O)(=O)O[C@H]4[C@H]3O)O[C@H]([C@@H]5O)N3C=NC4=C3NC(=N)N=C4O)C2=NC=N1,"InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1",RFCBNSCSPXMEBK,INFSMZHSSA,N,cyclic GMP-AMP,RFCBNSCSPXMEBK-INFSMZHSSA-N
HMDB60466,162.016437924,C5H6O6,[H][C@@](O)(CC(=O)C(O)=O)C(O)=O,"InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m1/s1",WXSKVKPSMAHCSG,UWTATZPHSA,N,D-4-Hydroxy-2-oxoglutarate,WXSKVKPSMAHCSG-UWTATZPHSA-N
HMDB60467,260.029718526,C6H13O9P,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5-,6-/m1/s1",ZKLLSNQJRLJIGT,UYFOZJQFSA,N,D-fructose 1-phosphate,ZKLLSNQJRLJIGT-UYFOZJQFSA-N
HMDB60468,504.169034976,C18H32O16,OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11+,12+,13-,14-,15-,16?,17+,18+/m1/s1",FBJQEBRMDXPWNX,SMGIPPFUSA,N,D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose,FBJQEBRMDXPWNX-SMGIPPFUSA-N
HMDB60469,518.256226786,C25H44O7P2,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O,"InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17-,25-19-",JMVSBFJBMXQNJW,PSTDWBAXSA,N,Dehydrodolichol diphosphate,JMVSBFJBMXQNJW-PSTDWBAXSA-N
HMDB60470,409.158410711,C16H27NO11,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H]([C@@H](C)[C@H](O)[C@H]2O)C(O)=O)[C@H]1N=C(C)O,"InChI=1S/C16H27NO11/c1-5-9(20)11(22)16(27-12(5)14(23)24)28-13-8(17-6(2)19)15(25-3)26-7(4-18)10(13)21/h5,7-13,15-16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24)/t5-,7+,8+,9-,10-,11+,12+,13+,15+,16-/m0/s1",CQQZQIXOOJJXET,XRJMVXHISA,N,dermatan L-iduronate,CQQZQIXOOJJXET-XRJMVXHISA-N
HMDB60471,311.100501903,C14H17NO7,OC[C@H]1O[C@@H](O[C@H](C#N)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1",NVLTYOJHPBMILU,YOVYLDAJSA,N,Dhurrin,NVLTYOJHPBMILU-YOVYLDAJSA-N
HMDB60472,296.132491381,C18H17FN2O,NCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,"InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2",RKUKMUWCRLRPEJ,UHFFFAOYSA,N,Didemethylcitalopram,RKUKMUWCRLRPEJ-UHFFFAOYSA-N
HMDB60473,298.187914659,C13H24N5O3,C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=N,"InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10+/m0/s1",FOOBQHKMWYGHCE,VHSXEESVSA,O,Diphthamide,FOOBQHKMWYGHCE-VHSXEESVSA-O
HMDB60474,299.171930244,C13H23N4O4,C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O,"InChI=1S/C13H22N4O4/c1-17(2,3)10(13(20)21)4-5-11-15-7-8(16-11)6-9(14)12(18)19/h7,9-10H,4-6,14H2,1-3H3,(H2-,15,16,18,19,20,21)/p+1/t9-,10+/m0/s1",CBQVLMCHMFGPMX,VHSXEESVSA,O,Diphthine,CBQVLMCHMFGPMX-VHSXEESVSA-O
HMDB60475,147.053157781,C5H9NO4,NC(CCC(O)=O)C(O)=O,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)",WHUUTDBJXJRKMK,UHFFFAOYSA,N,DL-Glutamate,WHUUTDBJXJRKMK-UHFFFAOYSA-N
HMDB60476,114.068079564,C6H10O2,O=C1CCCCCO1,InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2,PAPBSGBWRJIAAV,UHFFFAOYSA,N,epsilon-Caprolactone,PAPBSGBWRJIAAV-UHFFFAOYSA-N
HMDB60477,199.095691297,C8H13N3O3,[H][C@](N)(CCC(O)=NCCC#N)C(O)=O,"InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1",VQPVVWAFTIFKDD,LURJTMIESA,N,gamma-Glutamyl-beta-aminopropiononitrile,VQPVVWAFTIFKDD-LURJTMIESA-N
HMDB60478,243.085520541,C9H13N3O5,N[C@@H](CCC(O)=N[C@@H](CC#N)C(O)=O)C(O)=O,"InChI=1S/C9H13N3O5/c10-4-3-6(9(16)17)12-7(13)2-1-5(11)8(14)15/h5-6H,1-3,11H2,(H,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1",QUAADUAOVLZBJM,WDSKDSINSA,N,gamma-Glutamyl-beta-cyanoalanine,QUAADUAOVLZBJM-WDSKDSINSA-N
HMDB60479,334.107281077,C12H20N3O6S,[H][C@](N)(CCC(O)=N[C@@]([H])(C[S+]1CC1)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C12H19N3O6S/c13-7(12(20)21)1-2-9(16)15-8(6-22-3-4-22)11(19)14-5-10(17)18/h7-8H,1-6,13H2,(H3-,14,15,16,17,18,19,20,21)/p+1/t7-,8-/m0/s1",PWVNIRRYQGQWMG,YUMQZZPRSA,O,Glutathione episulfonium ion,PWVNIRRYQGQWMG-YUMQZZPRSA-O
HMDB60480,682.923320601,C10H18N5O20P5,[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3O)[C@]([H])(O)[C@]1([H])OP(O)(=O)OP(O)(O)=O,"InChI=1S/C10H18N5O20P5/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(32-39(26,27)33-36(18,19)20)3(31-9)1-30-38(24,25)35-40(28,29)34-37(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",KCPMACXZAITQAX,UUOKFMHZSA,N,Guanosine 3'-diphosphate 5'-triphosphate,KCPMACXZAITQAX-UUOKFMHZSA-N
HMDB60481,756.050712032,C18H32N2O24S3,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](OS(O)(=O)=O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(O)(=O)=O)[C@@H](O)O[C@@H]2COS(O)(=O)=O)O[C@H]1C(O)=O,"InChI=1S/C18H32N2O24S3/c19-5-8(23)7(22)3(1-21)40-17(5)42-12-10(25)13(44-47(35,36)37)18(43-14(12)15(26)27)41-11-4(2-38-46(32,33)34)39-16(28)6(9(11)24)20-45(29,30)31/h3-14,16-18,20-25,28H,1-2,19H2,(H,26,27)(H,29,30,31)(H,32,33,34)(H,35,36,37)/t3-,4-,5-,6-,7-,8-,9-,10+,11-,12+,13-,14-,16+,17-,18-/m1/s1",JAXHHZAWQAGVNS,BCMGMHEASA,N,heparan sulfate alpha-D-glucosaminide,JAXHHZAWQAGVNS-BCMGMHEASA-N
HMDB60482,238.229665582,C16H30O,CCCCCCCCCCCCC\C=C\C=O,"InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3/b15-14+",KLJFYXOVGVXZKT,CCEZHUSRSA,N,Hexadecenal,KLJFYXOVGVXZKT-CCEZHUSRSA-N
HMDB60483,199.024573569,C4H10NO6P,O[C@H](COP(O)(O)=O)[C@@H](O)C=N,"InChI=1S/C4H10NO6P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1",PXPUXFCEGUOIKX,IUYQGCFVSA,N,Iminoerythrose 4-phosphate,PXPUXFCEGUOIKX-IUYQGCFVSA-N
HMDB60484,203.058243159,C11H9NO3,OC(=O)C(=O)CC1=CNC2=CC=CC=C12,"InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)",RSTKLPZEZYGQPY,UHFFFAOYSA,N,Indolepyruvate,RSTKLPZEZYGQPY-UHFFFAOYSA-N
HMDB60485,236.079706882,C11H12N2O4,N[C@@H](CC(=O)C1=CC=CC=C1NC=O)C(O)=O,"InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1",BYHJHXPTQMMKCA,QMMMGPOBSA,N,L-Formylkynurenine,BYHJHXPTQMMKCA-QMMMGPOBSA-N
HMDB60486,133.052763851,C8H7NO,O[C@@H](C#N)C1=CC=CC=C1,"InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1",NNICRUQPODTGRU,QMMMGPOBSA,N,Mandelonitrile,NNICRUQPODTGRU-QMMMGPOBSA-N
HMDB60487,310.193280076,C21H26O2,CC(C)=CCC\C(C)=C\CC1=C(O)C2=CC=CC=C2C(O)=C1C,"InChI=1S/C21H26O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12,22-23H,7,9,13H2,1-4H3/b15-12+",CZHYZLLLSCZMRL,NTCAYCPXSA,N,Menaquinol,CZHYZLLLSCZMRL-NTCAYCPXSA-N
HMDB60488,95.947821956,CH4Se,C[SeH],"InChI=1S/CH4Se/c1-2/h2H,1H3",APKHDKJWSHYLEU,UHFFFAOYSA,N,Methaneselenol,APKHDKJWSHYLEU-UHFFFAOYSA-N
HMDB60489,127.9376512,CH4O2Se,C[Se](O)=O,"InChI=1S/CH4O2Se/c1-4(2)3/h1H3,(H,2,3)",UEQANLFPOFICBH,UHFFFAOYSA,N,Methylselenic acid,UEQANLFPOFICBH-UHFFFAOYSA-N
HMDB60490,181.948215886,C4H6O3Se,C[Se]CC(=O)C(O)=O,"InChI=1S/C4H6O3Se/c1-8-2-3(5)4(6)7/h2H2,1H3,(H,6,7)",KCHPIRYOQIGZLW,UHFFFAOYSA,N,Methylselenopyruvate,KCHPIRYOQIGZLW-UHFFFAOYSA-N
HMDB60491,496.15807636,C23H28O12,COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18+,20-,23+/m0/s1",QBMSTEZXAMABFF,UEARNRKISA,N,Mycophenolic acid O-acyl-glucuronide,QBMSTEZXAMABFF-UEARNRKISA-N
HMDB60492,351.116545897,C13H21NO10,CC(=O)OC[C@@H](O)C(O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1N=C(C)O)C(O)=O,"InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10?,11+,13-/m0/s1",NYWZBRWKDRMPAS,CQYNJFSHSA,N,N-acetyl-O-acetylneuraminate,NYWZBRWKDRMPAS-CQYNJFSHSA-N
HMDB60493,293.111066589,C11H19NO8,[H][C@](C)(O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)OC([H])(O)[C@]1([H])N=C(C)O)C(O)=O,"InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1",MNLRQHMNZILYPY,MKFCKLDKSA,N,N-Acetylmuramate,MNLRQHMNZILYPY-MKFCKLDKSA-N
HMDB60494,364.148180376,C14H24N2O9,[H][C@](C)(O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O)[C@]1([H])N=C(C)O)C(O)=N[C@]([H])(C)C(O)=O,"InChI=1S/C14H24N2O9/c1-5(13(21)22)15-12(20)6(2)24-11-9(16-7(3)18)14(23)25-8(4-17)10(11)19/h5-6,8-11,14,17,19,23H,4H2,1-3H3,(H,15,20)(H,16,18)(H,21,22)/t5-,6-,8-,9-,10-,11-,14+/m1/s1",ICMUIFDBEVJCQA,GQQBCVOHSA,N,N-Acetylmuramoyl-Ala,ICMUIFDBEVJCQA-GQQBCVOHSA-N
HMDB60495,161.032422339,C5H7NO5,[H][C@@](CC(O)=O)(N=CO)C(O)=O,"InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m0/s1",MQUUQXIFCBBFDP,VKHMYHEASA,N,N-Formyl-L-aspartate,MQUUQXIFCBBFDP-VKHMYHEASA-N
HMDB60496,116.05857751,C4H8N2O2,CC(O)=NN=C(C)O,"InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)",ZLHNYIHIHQEHJQ,UHFFFAOYSA,N,"N,N'-Diacetylhydrazine",ZLHNYIHIHQEHJQ-UHFFFAOYSA-N
HMDB60497,160.0524295,C10H8O2,OC1=CC=C2C=CC=CC2=C1O,"InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H",NXPPAOGUKPJVDI,UHFFFAOYSA,N,"Naphthalene-1,2-diol",NXPPAOGUKPJVDI-UHFFFAOYSA-N
HMDB60498,386.156339759,C16H24N3O8,CN(CCCC(O)C1=C[N+](=CC=C1)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N=O,"InChI=1S/C16H23N3O8/c1-18(17-26)6-3-5-10(20)9-4-2-7-19(8-9)15-13(23)11(21)12(22)14(27-15)16(24)25/h2,4,7-8,10-15,20-23H,3,5-6H2,1H3/p+1/t10?,11-,12-,13+,14-,15+/m0/s1",VSVYJUYJFLYYSI,UKOUFMKDSA,O,NNAL-N-glucuronide,VSVYJUYJFLYYSI-UKOUFMKDSA-O
HMDB60499,518.216534712,C28H30N4O6,CCC1=C2C=C(OC(=O)N3CCC(N)CC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O,"InChI=1S/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/m0/s1",APWFTHDYKJHNEV,NDEPHWFRSA,N,NPC,APWFTHDYKJHNEV-NDEPHWFRSA-N
HMDB60500,387.972550102,C6H15O13P3,C[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C6H15O13P3/c1-3-5(7)6(8)4(17-3)2-16-21(12,13)19-22(14,15)18-20(9,10)11/h3-8H,2H2,1H3,(H,12,13)(H,14,15)(H2,9,10,11)/t3-,4+,5-,6+/m0/s1",UPWHZOYYXHKXLQ,BGPJRJDNSA,N,NTP,UPWHZOYYXHKXLQ-BGPJRJDNSA-N
HMDB60501,747.577805117,C41H82NO8P,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m0/s1",LVNGJLRDBYCPGB,KDXMTYKHSA,N,Phosphatidylethanolamine,LVNGJLRDBYCPGB-KDXMTYKHSA-N
HMDB60502,452.36543078,C31H48O2,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(O)C2=CC=CC=C2C(O)=C1C,"InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",BUFJIHPUGZHTHL,NKFFZRIASA,N,Phylloquinol,BUFJIHPUGZHTHL-NKFFZRIASA-N
HMDB60503,96.021129372,C5H4O2,C=C1OC(=O)C=C1,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",RNYZJZKPGHQTJR,UHFFFAOYSA,N,Protoanemonin,RNYZJZKPGHQTJR-UHFFFAOYSA-N
HMDB60504,401.021511395,C12H17Cl2N3O6S,[H]\C(Cl)=C(/Cl)SC[C@]([H])(N=C(O)CC[C@]([H])(N)C(O)=O)C(O)=NCC(O)=O,"InChI=1S/C12H17Cl2N3O6S/c13-3-8(14)24-5-7(11(21)16-4-10(19)20)17-9(18)2-1-6(15)12(22)23/h3,6-7H,1-2,4-5,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/b8-3-/t6-,7-/m0/s1",IXARYIJEQUJTIZ,KWRIXSAHSA,N,"S-(1,2-Dichlorovinyl)glutathione",IXARYIJEQUJTIZ-KWRIXSAHSA-N
HMDB60505,383.055398342,C12H18ClN3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSC(=O)CCl)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C12H18ClN3O7S/c13-3-10(20)24-5-7(11(21)15-4-9(18)19)16-8(17)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,17)(H,18,19)(H,22,23)/t6-,7-/m0/s1",QJDRMMRBPVHMAD,BQBZGAKWSA,N,S-(2-Chloroacetyl)glutathione,QJDRMMRBPVHMAD-BQBZGAKWSA-N
HMDB60506,419.032076081,C12H19Cl2N3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSC([H])(O)C(Cl)Cl)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C12H19Cl2N3O7S/c13-9(14)12(24)25-4-6(10(21)16-3-8(19)20)17-7(18)2-1-5(15)11(22)23/h5-6,9,12,24H,1-4,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t5-,6-,12?/m0/s1",RULDRNMMLPUXQI,LBHDVABESA,N,"S-(2,2-Dichloro-1-hydroxy)ethyl glutathione",RULDRNMMLPUXQI-LBHDVABESA-N
HMDB60507,349.094370667,C12H19N3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSCC=O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C12H19N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h3,7-8H,1-2,4-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1",VKLQBAQSSOPXGF,YUMQZZPRSA,N,S-(Formylmethyl)glutathione,VKLQBAQSSOPXGF-YUMQZZPRSA-N
HMDB60508,416.329045274,C27H44O3,CC(CC[C@@H](O)C(C)(C)O)C1CCC2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C,"InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11+/t19?,22-,23?,24?,25+,27+/m0/s1",FCKJYANJHNLEEP,PSQIUDODSA,N,Secalciferol,FCKJYANJHNLEEP-PSQIUDODSA-N
HMDB60509,290.040283212,C7H15O10P,OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O,"InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h3,5-9,11-13H,1-2H2,(H2,14,15,16)/t3-,5-,6-,7-/m1/s1",JPTRNFAYXMBCLJ,SHUUEZRQSA,N,Sedoheptulose 1-phosphate,JPTRNFAYXMBCLJ-SHUUEZRQSA-N
HMDB60510,392.13722176,C22H20N2O5,CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O,"InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1",FJHBVJOVLFPMQE,QFIPXVFZSA,N,SN-38,FJHBVJOVLFPMQE-QFIPXVFZSA-N
HMDB60511,568.169309748,C28H28N2O11,CCC1=C2C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O,"InChI=1S/C28H28N2O11/c1-3-12-13-7-11(40-26-22(33)20(31)21(32)23(41-26)25(35)36)5-6-17(13)29-19-14(12)9-30-18(19)8-16-15(24(30)34)10-39-27(37)28(16,38)4-2/h5-8,20-23,26,31-33,38H,3-4,9-10H2,1-2H3,(H,35,36)/t20-,21-,22+,23-,26+,28-/m0/s1",SSJQVDUAKDRWTA,CAYKMONMSA,N,SN38 glucuronide,SSJQVDUAKDRWTA-CAYKMONMSA-N
HMDB60512,248.214015518,C17H28O,OC1CCC2C(CCC3C4CCCC4CCC23)C1,"InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2",FPXSXMFOYWRHDX,UHFFFAOYSA,N,Sterol,FPXSXMFOYWRHDX-UHFFFAOYSA-N
HMDB60513,387.219829177,C26H29NO2,CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[O-])C=C1)C1=CC=CC=C1,"InChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-",YAASNACECBQAFW,QPLCGJKRSA,N,Tamoxifen N-oxide,YAASNACECBQAFW-QPLCGJKRSA-N
HMDB60514,92.002892489,C3H5ClO,OC\C=C\Cl,"InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2/b2-1+",HJGHXDNIPAWLLE,OWOJBTEDSA,N,trans-3-Chloro-2-propene-1-ol,HJGHXDNIPAWLLE-OWOJBTEDSA-N
HMDB60515,105.982157047,C3H3ClO2,OC(=O)\C=C\Cl,"InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+",MHMUCYJKZUZMNJ,OWOJBTEDSA,N,trans-3-Chloroacrylic acid,MHMUCYJKZUZMNJ-OWOJBTEDSA-N
HMDB60516,89.987242425,C3H3ClO,Cl\C=C\C=O,InChI=1S/C3H3ClO/c4-2-1-3-5/h1-3H/b2-1+,ZSOPPQGHWJVKJB,OWOJBTEDSA,N,trans-3-Chloroallyl aldehyde,ZSOPPQGHWJVKJB-OWOJBTEDSA-N
HMDB60517,290.13067982,C20H18O2,CC1=C2C=CC3=C(C=C[C@H](O)[C@H]3O)C2=C(C)C2=CC=CC=C12,"InChI=1S/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3/t18-,20-/m0/s1",YZIIKMBFHLJAFT,ICSRJNTNSA,N,"trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene",YZIIKMBFHLJAFT-ICSRJNTNSA-N
HMDB60518,140.010958616,C6H4O4,OC(=O)C=C1OC(=O)C=C1,"InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8)",AYFXPGXAZMFWNH,UHFFFAOYSA,N,trans-4-Carboxymethylenebut-2-en-4-olide,AYFXPGXAZMFWNH-UHFFFAOYSA-N
HMDB60519,290.13067982,C20H18O2,CC1=C2[C@H](O)[C@@H](O)C3=CC=CC=C3C2=C(C)C2=CC=CC=C12,"InChI=1S/C20H18O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10,19-22H,1-2H3/t19-,20-/m0/s1",SGVWCDYKBWRHKJ,PMACEKPBSA,N,"trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene",SGVWCDYKBWRHKJ-PMACEKPBSA-N
HMDB60520,723.304380213,C27H49N9O10S2,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1",PHDOXVGRXXAYEB,VJANTYMQSA,N,Trypanothione,PHDOXVGRXXAYEB-VJANTYMQSA-N
HMDB60521,721.288730149,C27H47N9O10S2,[H][C@](N)(CCC(O)=N[C@@]1([H])CSSC[C@]([H])(N=C(O)CC[C@]([H])(N)C(O)=O)C(O)=NCC(O)=NCCCNCCCCN=C(O)CN=C1O)C(O)=O,"InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1",LZMSXDHGHZKXJD,VJANTYMQSA,N,Trypanothione disulfide,LZMSXDHGHZKXJD-VJANTYMQSA-N
HMDB60522,607.081569477,C17H27N3O17P2,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1",LFTYTUAZOPRMMI,NESSUJCYSA,N,UDP-N-acetyl-alpha-D-galactosamine,LFTYTUAZOPRMMI-NESSUJCYSA-N
HMDB60524,355.006922117,C14H14INO2,NCCC1=CC(I)=C(OC2=CC=C(O)C=C2)C=C1,"InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2",XIINYOJWNGOUPF,UHFFFAOYSA,N,3-Iodothyronamine,XIINYOJWNGOUPF-UHFFFAOYSA-N
HMDB60525,530.310435096,C28H42N4O6,NCCCN(CCCCNCCCNC(=O)CCC1=CC=C(O)C(O)=C1)C(=O)CCC1=CC(O)=C(O)C=C1,"InChI=1S/C28H42N4O6/c29-13-3-18-32(28(38)12-8-22-6-10-24(34)26(36)20-22)17-2-1-14-30-15-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)",IWRAOCFRRTWUDF,UHFFFAOYSA,N,Kukoamine B,IWRAOCFRRTWUDF-UHFFFAOYSA-N
HMDB60526,530.310435096,C28H42N4O6,NCCCN(CCCCN(CCCN)C(=O)CCC1=CC(O)=C(O)C=C1)C(=O)CCC1=CC(O)=C(O)C=C1,"InChI=1S/C28H42N4O6/c29-13-3-17-31(27(37)11-7-21-5-9-23(33)25(35)19-21)15-1-2-16-32(18-4-14-30)28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,33-36H,1-4,7-8,11-18,29-30H2",MRBLTJLKQIHRTP,UHFFFAOYSA,N,Kukoamine C,MRBLTJLKQIHRTP-UHFFFAOYSA-N
HMDB60527,530.310435096,C28H42N4O6,NCCCNCCCCN(CCCNC(=O)CCC1=CC(O)=C(O)C=C1)C(=O)CCC1=CC(O)=C(O)C=C1,"InChI=1S/C28H42N4O6/c29-13-3-15-30-14-1-2-17-32(28(38)12-8-22-6-10-24(34)26(36)20-22)18-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)",VZOUDULKCUBJHR,UHFFFAOYSA,N,Kukoamine D,VZOUDULKCUBJHR-UHFFFAOYSA-N
HMDB60528,616.992380511,C23H25I2NO3,CCCCC1=C(C(=O)C2=CC(I)=C(OCCNCC)C(I)=C2)C2=CC=CC=C2O1,"InChI=1S/C23H25I2NO3/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3",VXOKDLACQICQFA,UHFFFAOYSA,N,N-desethylamiodarone,VXOKDLACQICQFA-UHFFFAOYSA-N
HMDB60529,269.047026545,C10H11N3O4S,NC1=CC=C(C=C1)S(=O)(=O)NC1=NOC(CO)=C1,"InChI=1S/C10H11N3O4S/c11-7-1-3-9(4-2-7)18(15,16)13-10-5-8(6-14)17-12-10/h1-5,14H,6,11H2,(H,12,13)",CECJOLRUXWTJHV,UHFFFAOYSA,N,5-Hydroxysulfamethoxazole,CECJOLRUXWTJHV-UHFFFAOYSA-N
HMDB60530,387.219829177,C26H29NO2,CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1,"InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-",TXUZVZSFRXZGTL,QPLCGJKRSA,N,4-Hydroxytamoxifen,TXUZVZSFRXZGTL-QPLCGJKRSA-N
HMDB60531,249.151749613,C18H19N,NCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C18H19N/c19-13-5-10-18-16-8-3-1-6-14(16)11-12-15-7-2-4-9-17(15)18/h1-4,6-10H,5,11-13,19H2",PTQFRALDEONNOA,UHFFFAOYSA,N,Desmethylnortriptyline,PTQFRALDEONNOA-UHFFFAOYSA-N
HMDB60532,263.188529049,C16H25NO2,CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1,"InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3",KYYIDSXMWOZKMP,UHFFFAOYSA,N,O-Desmethylvenlafaxine,KYYIDSXMWOZKMP-UHFFFAOYSA-N
HMDB60533,204.089877638,C11H12N2O2,CCC1(NC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)",UDTWZFJEMMUFLC,UHFFFAOYSA,N,Nirvanol,UDTWZFJEMMUFLC-UHFFFAOYSA-N
HMDB60534,367.145140048,C21H22ClN3O,ClC1=CC=C(CC2=NN(C3CCCNCC3)C(=O)C3=CC=CC=C23)C=C1,"InChI=1S/C21H22ClN3O/c22-16-9-7-15(8-10-16)14-20-18-5-1-2-6-19(18)21(26)25(24-20)17-4-3-12-23-13-11-17/h1-2,5-10,17,23H,3-4,11-14H2",WRYCMIFVXDQIKN,UHFFFAOYSA,N,Desmethylazelastine,WRYCMIFVXDQIKN-UHFFFAOYSA-N
HMDB60535,241.146664235,C16H19NO,CNCCOC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H19NO/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3",AGSLYHYWLYGAOU,UHFFFAOYSA,N,N-Desmethyldiphenhydramine,AGSLYHYWLYGAOU-UHFFFAOYSA-N
HMDB60536,312.114174271,C17H17ClN4,ClC1=CC=C2NC3=CC=CC=C3C(=NC2=C1)N1CCNCC1,"InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2",JNNOSTQEZICQQP,UHFFFAOYSA,N,Norclozapine,JNNOSTQEZICQQP-UHFFFAOYSA-N
HMDB60537,248.079706882,C12H12N2O4,CCC1(C(=O)NC(=O)NC1=O)C1=CC=C(O)C=C1,"InChI=1S/C12H12N2O4/c1-2-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14-10(12)17/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18)",IEPXMKJNWPXDBP,UHFFFAOYSA,N,p-Hydroxyphenobarbital,IEPXMKJNWPXDBP-UHFFFAOYSA-N
HMDB60538,270.055990691,C15H11ClN2O,ClC1=CC=C2NC(=O)CN=C(C3=CC=CC=C3)C2=C1,"InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)",AKPLHCDWDRPJGD,UHFFFAOYSA,N,Nordiazepam,AKPLHCDWDRPJGD-UHFFFAOYSA-N
HMDB60540,440.26750765,C26H36N2O4,COC1=C(OC)C=C(CCNCCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1,"InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3",UPKQNCPKPOLASS,UHFFFAOYSA,N,Norverapamil,UPKQNCPKPOLASS-UHFFFAOYSA-N
HMDB60541,374.089416083,C16H15ClN6O3,ClC1=CN=C(C=C1)N1C(OC(=O)N2CCNCC2)C2=NC=CN=C2C1=O,"InChI=1S/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2",CGSFZSTXVVJLIX,UHFFFAOYSA,N,N-Desmethylzopiclone,CGSFZSTXVVJLIX-UHFFFAOYSA-N
HMDB60542,311.011598637,C14H11Cl2NO3,OC(=O)CC1=CC(O)=CC=C1NC1=C(Cl)C=CC=C1Cl,"InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)",VNQURRWYKFZKJZ,UHFFFAOYSA,N,5-Hydroxydiclofenac,VNQURRWYKFZKJZ-UHFFFAOYSA-N
HMDB60543,303.147058165,C17H21NO4,CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC(O)=C1,"InChI=1S/C17H21NO4/c1-3-10-7-11(19)8-13-12-5-6-22-17(4-2,9-14(20)21)16(12)18-15(10)13/h7-8,18-19H,3-6,9H2,1-2H3,(H,20,21)",GQHWDDBALZVXBU,UHFFFAOYSA,N,6-Hydroxyetodolac,GQHWDDBALZVXBU-UHFFFAOYSA-N
HMDB60544,303.147058165,C17H21NO4,CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1O,"InChI=1S/C17H21NO4/c1-3-10-13(19)6-5-11-12-7-8-22-17(4-2,9-14(20)21)16(12)18-15(10)11/h5-6,18-19H,3-4,7-9H2,1-2H3,(H,20,21)",LOALFJPXZIHKNH,UHFFFAOYSA,N,7-Hydroxyetodolac,LOALFJPXZIHKNH-UHFFFAOYSA-N
HMDB60545,343.061135648,C18H14ClNO4,CC1=C(CC(O)=O)C2=C(C=CC(O)=C2)N1C(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)",KMLNWQPYFBIALN,UHFFFAOYSA,N,O-Desmethylindomethacin,KMLNWQPYFBIALN-UHFFFAOYSA-N
HMDB60546,413.256608613,C25H35NO4,CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1)=C(O)C=C4,"InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1",YOYLLRBMGQRFTN,IOMBULRVSA,N,Norbuprenorphine,YOYLLRBMGQRFTN-IOMBULRVSA-N
HMDB60547,499.329773555,C30H45NO5,CO.CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4,"InChI=1S/C29H41NO4.CH4O/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;1-2/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;2H,1H3/t20-,21-,24-,26+,27-,28+,29-;/m1./s1",CWQOOBMAWVNZSC,RZIPZOSSSA,N,Hydroxybuprenorphine,CWQOOBMAWVNZSC-RZIPZOSSSA-N
HMDB60548,287.152143543,C17H21NO3,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O,"InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1",IJVCSMSMFSCRME,KBQPJGBKSA,N,Dihydromorphine,IJVCSMSMFSCRME-KBQPJGBKSA-N
HMDB60549,223.076391782,C12H14ClNO,NC1(CCCCC1=O)C1=CC=CC=C1Cl,"InChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2",BEQZHFIKTBVCAU,UHFFFAOYSA,N,Norketamine,BEQZHFIKTBVCAU-UHFFFAOYSA-N
HMDB60550,253.086956468,C13H16ClNO2,CNC1(CCCC(O)C1=O)C1=CC=CC=C1Cl,"InChI=1S/C13H16ClNO2/c1-15-13(8-4-7-11(16)12(13)17)9-5-2-3-6-10(9)14/h2-3,5-6,11,15-16H,4,7-8H2,1H3",WAXHSFGMMWDOAE,UHFFFAOYSA,N,6-Hydroxyketamine,WAXHSFGMMWDOAE-UHFFFAOYSA-N
HMDB60551,295.118398754,C16H16F3NO,NCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,"InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2",WIQRCHMSJFFONW,UHFFFAOYSA,N,Norfluoxetine,WIQRCHMSJFFONW-UHFFFAOYSA-N
HMDB60552,257.177964363,C17H23NO,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC1=C3C=C(O)C=C1,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1",JAQUASYNZVUNQP,PVAVHDDUSA,N,Dextrorphan,JAQUASYNZVUNQP-PVAVHDDUSA-N
HMDB60553,436.141451653,C22H21ClN6O2,CCCCC1=NC(Cl)=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)C(O)=O,"InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)",ZEUXAIYYDDCIRX,UHFFFAOYSA,N,E-3174,ZEUXAIYYDDCIRX-UHFFFAOYSA-N
HMDB60554,324.077788765,C17H13ClN4O,CC1=NN=C2C(O)N=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C17H13ClN4O/c1-10-20-21-16-17(23)19-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(10)16/h2-9,17,23H,1H3",CEYGCFLPQFNPST,UHFFFAOYSA,N,4-hydroxyalprazolam,CEYGCFLPQFNPST-UHFFFAOYSA-N
HMDB60555,245.012267339,C9H9Cl2N3O,OC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1,"InChI=1S/C9H9Cl2N3O/c10-6-3-5(15)4-7(11)8(6)14-9-12-1-2-13-9/h3-4,15H,1-2H2,(H2,12,13,14)",NTWBRPXHGAXREI,UHFFFAOYSA,N,4-Hydroxyclonidine,NTWBRPXHGAXREI-UHFFFAOYSA-N
HMDB60557,212.068473494,C10H12O5,COC1=CC=CC=C1OCC(O)C(O)=O,"InChI=1S/C10H12O5/c1-14-8-4-2-3-5-9(8)15-6-7(11)10(12)13/h2-5,7,11H,6H2,1H3,(H,12,13)",MXVBBOLVTSAHEX,UHFFFAOYSA,N,beta-(2-Methoxyphenoxy)-lactic acid,MXVBBOLVTSAHEX-UHFFFAOYSA-N
HMDB60558,197.105193351,C10H15NO3,COC1=CC(C(O)CN)=C(OC)C=C1,"InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3",VFRCNXKYZVQYLX,UHFFFAOYSA,N,Desglymidodrine,VFRCNXKYZVQYLX-UHFFFAOYSA-N
HMDB60559,254.072513014,C11H14N2O3S,CC(O)=NC1=CC=C(SC[C@H](N)C(O)=O)C=C1,"InChI=1S/C11H14N2O3S/c1-7(14)13-8-2-4-9(5-3-8)17-6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1",ZOZXXYPCOKGXOE,JTQLQIEISA,N,Acetaminophen cystein,ZOZXXYPCOKGXOE-JTQLQIEISA-N
HMDB60560,281.083412051,C12H15N3O3S,CCCS(=O)C1=CC2=C(C=C1)N=C(N2)N=C(O)OC,"InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",VXTGHWHFYNYFFV,UHFFFAOYSA,N,Albendazole sulfoxide,VXTGHWHFYNYFFV-UHFFFAOYSA-N
HMDB60561,297.078326673,C12H15N3O4S,CCCS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)N=C(O)OC,"InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",CLSJYOLYMZNKJB,UHFFFAOYSA,N,Albendazole sulfone,CLSJYOLYMZNKJB-UHFFFAOYSA-N
HMDB60562,336.08136314,C12H20N2O5S2,C[C@H](CSSC[C@H](N)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C12H20N2O5S2/c1-7(5-20-21-6-8(13)11(16)17)10(15)14-4-2-3-9(14)12(18)19/h7-9H,2-6,13H2,1H3,(H,16,17)(H,18,19)/t7-,8+,9+/m1/s1",NEEBNBLVYKFVTK,VGMNWLOBSA,N,Captopril-cysteine disulfide,NEEBNBLVYKFVTK-VGMNWLOBSA-N
HMDB60564,236.104859,C13H16O4,CC(CC1=CC=C(C=C1)C(C)C(O)=O)C(O)=O,"InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)",DIVLBIVDYADZPL,UHFFFAOYSA,N,Carboxy-ibuprofen,DIVLBIVDYADZPL-UHFFFAOYSA-N
HMDB60565,222.125594442,C13H18O3,CC(C)C(O)C1=CC=C(C=C1)C(C)C(O)=O,"InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)",RMOQYHYFRKTDRI,UHFFFAOYSA,N,1-Hydroxyibuprofen,RMOQYHYFRKTDRI-UHFFFAOYSA-N
HMDB60566,266.069142196,C15H10N2O3,OC(=N)N1C2=CC=CC=C2C=CC2=CC(=O)C(=O)C=C12,"InChI=1S/C15H10N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-7-13(18)14(19)8-12(10)17/h1-8H,(H2,16,20)",GONNJNYLBPEEPH,UHFFFAOYSA,N,Carbamazepine-O-quinone,GONNJNYLBPEEPH-UHFFFAOYSA-N
HMDB60568,270.100442324,C15H14N2O3,O[C@@H]1[C@@H](O)C2=CC=CC=C2N(C(O)=N)C2=CC=CC=C12,"InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m0/s1",PRGQOPPDPVELEG,KBPBESRZSA,N,"10,11-Dihydroxycarbamazepine",PRGQOPPDPVELEG-KBPBESRZSA-N
HMDB60569,266.151809192,C15H22O4,C[C@@H]1C=C[C@@H]2[C@@H](C)C(=O)O[C@H]3O[C@](C)(O)CC[C@@H]1C23,"InChI=1S/C15H22O4/c1-8-4-5-11-9(2)13(16)18-14-12(11)10(8)6-7-15(3,17)19-14/h4-5,8-12,14,17H,6-7H2,1-3H3/t8-,9-,10+,11-,12?,14+,15+/m1/s1",ZHHCFKHSMKRNCX,CRBWWJEESA,N,Deoxyartemsinin,ZHHCFKHSMKRNCX-CRBWWJEESA-N
HMDB60570,268.167459256,C15H24O4,C[C@@H]1CC[C@H]2[C@@H](C)C(O)O[C@@H]3OC4(C)CC[C@@H]1[C@@]23O4,"InChI=1S/C15H24O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12?,13-,14?,15-/m1/s1",JQGOBHOUYKYFPD,YONALABKSA,N,Deoxydihydro-artemisinin,JQGOBHOUYKYFPD-YONALABKSA-N
HMDB60571,411.050061192,C17H12F3N3O4S,NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(C=C1)C(O)=O)C(F)(F)F,"InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)",WTHNOVFEXONZMI,UHFFFAOYSA,N,Carboxycelecoxib,WTHNOVFEXONZMI-UHFFFAOYSA-N
HMDB60573,334.090661637,C17H19ClN2OS,CN(C)(=O)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2,"InChI=1S/C17H19ClN2OS/c1-20(2,21)11-5-10-19-14-6-3-4-7-16(14)22-17-9-8-13(18)12-15(17)19/h3-4,6-9,12H,5,10-11H2,1-2H3",LFDFWIIFGRXCFR,UHFFFAOYSA,N,Chlorpromazine-N-oxide,LFDFWIIFGRXCFR-UHFFFAOYSA-N
HMDB60574,340.199822016,C17H28N2O5,CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(O)=O,"InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1",ODAIHABQVKJNIY,PEDHHIEDSA,N,Perindoprilat,ODAIHABQVKJNIY-PEDHHIEDSA-N
HMDB60575,306.089208936,C19H14O4,CC(=O)\C=C(/C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O,"InChI=1S/C19H14O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-11,21H,1H3/b15-11+",SWIPQYPHTPMNLK,RVDMUPIBSA,N,Dehydrowarfarin,SWIPQYPHTPMNLK-RVDMUPIBSA-N
HMDB60576,310.148141445,C19H19FN2O,CNCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,"InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3",PTJADDMMFYXMMG,UHFFFAOYSA,N,Desmethylcitalopram,PTJADDMMFYXMMG-UHFFFAOYSA-N
HMDB60577,330.149891075,C19H23ClN2O,CN(C)(=O)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2,"InChI=1S/C19H23ClN2O/c1-22(2,23)13-5-12-21-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)21/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3",ARNOTLDVJSFYBP,UHFFFAOYSA,N,Clomipramine N-oxide,ARNOTLDVJSFYBP-UHFFFAOYSA-N
HMDB60578,319.214743799,C19H29NO3,COC1=C(OC)C=C2C3CC(O)C(CC(C)C)CN3CCC2=C1,"InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3",WEQLWGNDNRARGE,UHFFFAOYSA,N,b-Dihydrotetrabenazine,WEQLWGNDNRARGE-UHFFFAOYSA-N
HMDB60579,388.199822016,C21H28N2O5,C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O,"InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1",KEDYTOTWMPBSLG,HILJTLORSA,N,Ramiprilat,KEDYTOTWMPBSLG-HILJTLORSA-N
HMDB60580,312.20893014,C21H28O2,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C,"InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",CHNXZKVNWQUJIB,CEGNMAFCSA,N,Ethisterone,CHNXZKVNWQUJIB-CEGNMAFCSA-N
HMDB60581,685.018103992,C22H22N8O8PS4,CCO\N=C(/C(O)=N[C@H]1[C@H]2SCC(SC3=NC(=CS3)C3=CC=[N+](C)C=C3)=C(N2C1=O)C(O)=O)C1=NC(SN1)=NP(O)(O)=O,"InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/p+1/b26-13-/t14-,19-/m1/s1",ZCCUWMICIWSJIX,NQJJCJBVSA,O,Ceftaroline,ZCCUWMICIWSJIX-NQJJCJBVSA-O
HMDB60582,396.168521888,C22H24N2O5,OC(=O)CN1C2=CC=CC=C2CC[C@H](N[C@@H](CCC2=CC=CC=C2)C(O)=O)C1=O,"InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1",MADRIHWFJGRSBP,ROUUACIJSA,N,Benazeprilat,MADRIHWFJGRSBP-ROUUACIJSA-N
HMDB60583,402.21547208,C22H30N2O5,C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O,"InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1",AHYHTSYNOHNUSH,HXFGRODQSA,N,Trandolaprilat,AHYHTSYNOHNUSH-HXFGRODQSA-N
HMDB60584,429.197379175,C24H31NO4S,C[C@]12CC[C@H]3[C@@H](CC=C4CC(CC[C@]34C)OS(O)(=O)=O)[C@@H]1CC=C2C1=CN=CC=C1,"InChI=1S/C24H31NO4S/c1-23-11-9-18(29-30(26,27)28)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3,(H,26,27,28)/t18?,19-,21-,22-,23-,24+/m0/s1",LUQSJWRTYLGZJB,ZHVNYGEGSA,N,Abiraterone sulfate,LUQSJWRTYLGZJB-ZHVNYGEGSA-N
HMDB60585,387.219829177,C26H29NO2,CC(O)C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)\C1=CC=CC=C1,"InChI=1S/C26H29NO2/c1-20(28)25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)3/h4-17,20,28H,18-19H2,1-3H3/b26-25-",BPHFBQJMFWCHGH,QPLCGJKRSA,N,alpha-Hydroxytamoxifen,BPHFBQJMFWCHGH-QPLCGJKRSA-N
HMDB60586,641.172010044,C29H30F3NO12,COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(N=C(O)C(F)(F)F)C(O)C(C)O4)C3=C1O)C(O)CO)C2=O,"InChI=1S/C29H30F3NO12/c1-10-22(36)13(33-27(41)29(30,31)32)6-17(44-10)45-15-8-28(42,16(35)9-34)7-12-19(15)26(40)21-20(24(12)38)23(37)11-4-3-5-14(43-2)18(11)25(21)39/h3-5,10,13,15-17,22,34-36,38,40,42H,6-9H2,1-2H3,(H,33,41)",TWMWXCYMYAQOTO,UHFFFAOYSA,N,N-Trifluoroacetyladriamycinol,TWMWXCYMYAQOTO-UHFFFAOYSA-N
HMDB60587,118.050418127,C4H8NO3,NCCOCC([O-])=O,"InChI=1S/C4H9NO3/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7)/p-1",GNRLUBOJIGSVNT,UHFFFAOYSA,M,Aminoethoxyacetic acid,GNRLUBOJIGSVNT-UHFFFAOYSA-M
HMDB60588,276.019734282,C7H15Cl2N2O3P,ClCCNP(=O)(NCCCl)OCCC=O,"InChI=1S/C7H15Cl2N2O3P/c8-2-4-10-15(13,11-5-3-9)14-7-1-6-12/h6H,1-5,7H2,(H2,10,11,13)",IPTJZZUYNOWWHM,UHFFFAOYSA,N,Aldoifosfamide,IPTJZZUYNOWWHM-UHFFFAOYSA-N
HMDB60589,208.059640142,C8H8N4O3,NC1=CC=C(O1)C=NN1CC(O)=NC1=O,"InChI=1S/C8H8N4O3/c9-6-2-1-5(15-6)3-10-12-4-7(13)11-8(12)14/h1-3H,4,9H2,(H,11,13,14)",KLJOOBXQOIHZQM,UHFFFAOYSA,N,Aminofurantoin,KLJOOBXQOIHZQM-UHFFFAOYSA-N
HMDB60590,418.02986877,C17H14Cl2F2N2O4,[O-][N+]1=CC(Cl)=C(NC(=O)C2=CC(OCC3CC3)=C(OC(F)F)C=C2)C(Cl)=C1,"InChI=1S/C17H14Cl2F2N2O4/c18-11-6-23(25)7-12(19)15(11)22-16(24)10-3-4-13(27-17(20)21)14(5-10)26-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,24)",PCGSQNPMMSALEJ,UHFFFAOYSA,N,Roflumilast N-oxide,PCGSQNPMMSALEJ-UHFFFAOYSA-N
HMDB60592,167.094628665,C9H13NO2,C[C@@H](N)[C@@H](O)C1=CC=C(O)C=C1,"InChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m1/s1",JAYBQRKXEFDRER,HZGVNTEJSA,N,4-Hydroxynorephedrine,JAYBQRKXEFDRER-HZGVNTEJSA-N
HMDB60593,284.162373878,C15H24O5,C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3OC4(C)CC[C@@H]1[C@@]23OO4,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14?,15-/m1/s1",BJDCWCLMFKKGEE,KXTPALSWSA,N,Alpha-dihydroartemisinin,BJDCWCLMFKKGEE-KXTPALSWSA-N
HMDB60594,295.157228921,C19H21NO2,C[N+](C)([O-])CC\C=C1/C2=C(COC3=C1C=CC=C3)C=CC=C2,"InChI=1S/C19H21NO2/c1-20(2,21)13-7-11-17-16-9-4-3-8-15(16)14-22-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+",QJCSDPQQGVJGQY,GZTJUZNOSA,N,Doxepin N-oxide,QJCSDPQQGVJGQY-GZTJUZNOSA-N
HMDB60595,353.162708229,C21H23NO4,C[N+](C)([O-])CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2,"InChI=1S/C21H23NO4/c1-22(2,25)11-5-8-18-17-7-4-3-6-16(17)14-26-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-",TXKZPVWYFNGMCP,LSCVHKIXSA,N,Olopatadine n-oxide,TXKZPVWYFNGMCP-LSCVHKIXSA-N
HMDB60596,485.150822913,C25H27NO7S,C[N+]1(CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=C1C=CC=C2)C1OC(C(O)C(O)C1O)C([O-])=O,"InChI=1S/C25H27NO7S/c1-26(24-21(30)19(28)20(29)22(33-24)25(31)32)9-6-13(7-10-26)18-15-5-3-2-4-14(15)12-17(27)23-16(18)8-11-34-23/h2-5,8,11,19-22,24,28-30H,6-7,9-10,12H2,1H3/b18-13-",WLTPAELNPGRIGG,AQTBWJFISA,N,Ketotifen-N-glucuronide,WLTPAELNPGRIGG-AQTBWJFISA-N
HMDB60597,265.015726417,C10H7N3O4S,OC1=CC=CC=C1C(=O)NC1=NC=C(S1)[N+]([O-])=O,"InChI=1S/C10H7N3O4S/c14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17/h1-5,14H,(H,11,12,15)",FDTZUTSGGSRHQF,UHFFFAOYSA,N,Desacetyl-nitazoxanide,FDTZUTSGGSRHQF-UHFFFAOYSA-N
HMDB60598,268.08479226,C15H12N2O3,OC1=NC(C(O)=N1)(C1=CC=CC=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)",XEEDURHPFVXALT,UHFFFAOYSA,N,Hydroxyphenytoin,XEEDURHPFVXALT-UHFFFAOYSA-N
HMDB60599,245.047026545,C8H11N3O4S,NC1=NC(=O)N(C=C1)[C@H]1CS(=O)[C@@H](CO)O1,"InChI=1S/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,16?/m1/s1",LJMQAXFNQNADRZ,FYZWQCAOSA,N,Lamivudine sulfoxide,LJMQAXFNQNADRZ-FYZWQCAOSA-N
HMDB60600,382.010700618,C14H10N2O9S,OC(=O)C1=C\C(C=CC1=O)=N\NC1=CC(C(O)=O)=C(OS(O)(=O)=O)C=C1,"InChI=1S/C14H10N2O9S/c17-11-3-1-7(5-9(11)13(18)19)15-16-8-2-4-12(25-26(22,23)24)10(6-8)14(20)21/h1-6,16H,(H,18,19)(H,20,21)(H,22,23,24)/b15-7+",BAHPNDUIXQQXRU,VIZOYTHASA,N,Olsalazine-O-sulfate,BAHPNDUIXQQXRU-VIZOYTHASA-N
HMDB60601,184.005496082,C5H4N4O2S,OC1=NC2=C(N1)N=C(O)N=C2S,"InChI=1S/C5H4N4O2S/c10-4-6-1-2(7-4)8-5(11)9-3(1)12/h(H4,6,7,8,9,10,11,12)",SXHQUGJSTGOXMD,UHFFFAOYSA,N,6-thiouric acid,SXHQUGJSTGOXMD-UHFFFAOYSA-N
HMDB60602,195.053157781,C9H9NO4,CC(=O)NC1=CC=C(O)C(=C1)C(O)=O,"InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)",GEFDRROBUCULOD,UHFFFAOYSA,N,N-acetyl-5-aminosalicylic acid,GEFDRROBUCULOD-UHFFFAOYSA-N
HMDB60603,254.036127508,C10H10N2O4S,CC(=O)NS(=O)(=O)CC1=NOC2=C1C=CC=C2,"InChI=1S/C10H10N2O4S/c1-7(13)12-17(14,15)6-9-8-4-2-3-5-10(8)16-11-9/h2-5H,6H2,1H3,(H,12,13)",HXFUTAFSEXINIW,UHFFFAOYSA,N,N-acetyl zonisamide,HXFUTAFSEXINIW-UHFFFAOYSA-N
HMDB60604,319.108958099,C13H21NO6S,CC(C)(C)NCC(O)C1=CC=C(OS(O)(=O)=O)C(CO)=C1,"InChI=1S/C13H21NO6S/c1-13(2,3)14-7-11(16)9-4-5-12(10(6-9)8-15)20-21(17,18)19/h4-6,11,14-16H,7-8H2,1-3H3,(H,17,18,19)",FPMLHYFHLRTRMB,UHFFFAOYSA,N,Salbutamol 4-O-sulfate,FPMLHYFHLRTRMB-UHFFFAOYSA-N
HMDB60605,228.126263144,C14H16N2O,CC(C)(C(O)C1=CN=CC=C1)C1=CN=CC=C1,"InChI=1S/C14H16N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10,13,17H,1-2H3",DDFNHFXLQJLFSX,UHFFFAOYSA,N,Metyrapol,DDFNHFXLQJLFSX-UHFFFAOYSA-N
HMDB60606,200.106196404,C11H12N4,CC(C)=NNC1=NN=CC2=C1C=CC=C2,"InChI=1S/C11H12N4/c1-8(2)13-15-11-10-6-4-3-5-9(10)7-12-14-11/h3-7H,1-2H3,(H,14,15)",AKFJXINWDQGPHO,UHFFFAOYSA,N,Hydralazine acetone hydrazone,AKFJXINWDQGPHO-UHFFFAOYSA-N
HMDB60607,308.138559164,C16H16N6O,CC(C)N1N=C(C2=CC3=C(N2)C=CC(O)=C3)C2=C(N)N=CN=C12,"InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)",MFAQYJIYDMLAIM,UHFFFAOYSA,N,Fluoxetine glucuronide,MFAQYJIYDMLAIM-UHFFFAOYSA-N
HMDB60608,207.089543287,C11H13NO3,CC(C)NC(=O)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C11H13NO3/c1-7(2)12-10(13)8-3-5-9(6-4-8)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)",PRCGIFCKPACTDG,UHFFFAOYSA,N,N-isopropylterephthalamic acid,PRCGIFCKPACTDG-UHFFFAOYSA-N
HMDB60609,291.077657971,C11H17NO6S,CC(C)NCC(O)C1=CC(O)=CC(OS(O)(=O)=O)=C1,"InChI=1S/C11H17NO6S/c1-7(2)12-6-11(14)8-3-9(13)5-10(4-8)18-19(15,16)17/h3-5,7,11-14H,6H2,1-2H3,(H,15,16,17)",IJWHPUWEGCYHMQ,UHFFFAOYSA,N,Orciprenaline-3-O-sulfate,IJWHPUWEGCYHMQ-UHFFFAOYSA-N
HMDB60610,326.130027892,C15H22N2O4S,CC(O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,"InChI=1S/C15H22N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3,(H2,16,17,19)",VQDAEOYLIBGCHE,UHFFFAOYSA,N,Hydroxyhexamide,VQDAEOYLIBGCHE-UHFFFAOYSA-N
HMDB60611,207.162314299,C13H21NO,CC[C@H]([C@@H](C)CNC)C1=CC(O)=CC=C1,"InChI=1S/C13H21NO/c1-4-13(10(2)9-14-3)11-6-5-7-12(15)8-11/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13+/m0/s1",PQQINTFVECNXLC,GXFFZTMASA,N,N-Desmethyl tapentadol,PQQINTFVECNXLC-GXFFZTMASA-N
HMDB60612,806.514005086,C40H74N2O14,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(C)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N)C2O)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1S/C40H74N2O14/c1-14-29-40(11,47)34(44)23(4)31(42-51-20-50-16-15-48-12)21(2)18-38(9,46)35(56-37-32(43)28(41)17-22(3)52-37)24(5)33(25(6)36(45)54-29)55-30-19-39(10,49-13)26(7)27(8)53-30/h21-30,32-35,37,43-44,46-47H,14-20,41H2,1-13H3/b42-31+/t21-,22?,23+,24?,25-,26?,27?,28?,29-,30?,32?,33+,34-,35-,37?,38-,39?,40-/m1/s1",JPDVTYPPMALQJO,UZQDAVMLSA,N,N-di-Demethyl roxithromycin,JPDVTYPPMALQJO-UZQDAVMLSA-N
HMDB60613,349.143784348,C17H20FN3O4,CC[N+]1([O-])C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1,"InChI=1S/C17H20FN3O4/c1-3-21(25)10-12(17(23)24)16(22)11-8-13(18)14(9-15(11)21)20-6-4-19(2)5-7-20/h8-10H,3-7H2,1-2H3,(H,23,24)",LJTKAUAKTFMWRP,UHFFFAOYSA,N,Pefloxacin N-oxide,LJTKAUAKTFMWRP-UHFFFAOYSA-N
HMDB60614,340.093328683,C20H17FO2S,CSC1=CC=C(\C=C2\C(C)=C(CC(O)=O)C3=C2C=CC(F)=C3)C=C1,"InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-",LFWHFZJPXXOYNR,MFOYZWKCSA,N,Sulindac sulfide,LFWHFZJPXXOYNR-MFOYZWKCSA-N
HMDB60615,359.188529049,C24H25NO2,CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN)C=C1)C1=CC=CC=C1,"InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-",YCQBLTPGQSYLHD,VHXPQNKSSA,N,Norendoxifen,YCQBLTPGQSYLHD-VHXPQNKSSA-N
HMDB60616,548.264827575,C32H38NO7,CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1=CC=CC=C1,"InChI=1S/C32H37NO7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)39-20-19-33(2,3)31-29(36)27(34)28(35)30(40-31)32(37)38/h5-18,27-31,34-36H,4,19-20H2,1-3H3/p+1/b26-25-/t27-,28-,29+,30-,31+/m0/s1",UKFQQYJAYUAYES,DTMHFWPESA,O,Tamoxifen-N-glucuronide,UKFQQYJAYUAYES-DTMHFWPESA-O
HMDB60617,352.10929245,C16H20N2O5S,CC1(C)SC(NC1C(O)=O)C(NC(=O)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)",HCYWNSXLUZRKJX,UHFFFAOYSA,N,Penicilloic acid,HCYWNSXLUZRKJX-UHFFFAOYSA-N
HMDB60618,216.05686295,C8H12N2O3S,CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O,"InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1",NGHVIOIJCVXTGV,ALEPSDHESA,N,6-Aminopenicillanic acid,NGHVIOIJCVXTGV-ALEPSDHESA-N
HMDB60619,323.097999483,C19H17NO2S,CC1(C)CCSC2=C1C=C(C=C2)C#CC1=NC=C(C=C1)C(O)=O,"InChI=1S/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)",IQIBKLWBVJPOQO,UHFFFAOYSA,N,Tazarotenic acid,IQIBKLWBVJPOQO-UHFFFAOYSA-N
HMDB60620,372.083157927,C20H17FO4S,CC1=C(CC(O)=O)C2=C(C=CC(F)=C2)C1=CC1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)",MVGSNCBCUWPVDA,UHFFFAOYSA,N,Sulindac sulfone,MVGSNCBCUWPVDA-UHFFFAOYSA-N
HMDB60621,479.243358585,C28H29N7O,CC1=C(NC2=NC=CC(=N2)C2=CN=CC=C2)C=C(NC(=O)C2=CC=C(CN3CCNCC3)C=C2)C=C1,"InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)",BQQYXPHRXIZMDM,UHFFFAOYSA,N,n-Demethylated piperazine,BQQYXPHRXIZMDM-UHFFFAOYSA-N
HMDB60622,551.251917165,C31H37NO8,CCC(C(C1=CC=C(OCCNC)C=C1)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1)C1=CC=CC=C1,"InChI=1S/C31H37NO8/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(14-10-20)38-18-17-32-2)21-11-15-23(16-12-21)39-31-28(35)26(33)27(34)29(40-31)30(36)37/h4-16,24-29,31-35H,3,17-18H2,1-2H3,(H,36,37)",PWUOWFLVEJOLMS,UHFFFAOYSA,N,Endoxifen O-glucuronide,PWUOWFLVEJOLMS-UHFFFAOYSA-N
HMDB60623,544.263210132,C25H40N2O11,CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)OC1OC(C(O)C(O)C1O)C(O)=O)C(=O)OCC,"InChI=1S/C25H40N2O11/c1-4-8-14(23(34)36-5-2)26-12(3)21(31)27-15-10-7-6-9-13(15)11-16(27)24(35)38-25-19(30)17(28)18(29)20(37-25)22(32)33/h12-20,25-26,28-30H,4-11H2,1-3H3,(H,32,33)/t12-,13-,14-,15-,16?,17?,18?,19?,20?,25?/m0/s1",VEYBPHDESXGJIN,VEYQHAJCSA,N,Perindopril Acyl-beta-D-glucuronide,VEYBPHDESXGJIN-VEYQHAJCSA-N
HMDB60624,182.051383642,C8H10N2OS,CCC1=NC=CC(=C1)C(N)=S=O,"InChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5H,2,9H2,1H3",QDQQNGZRIJPDGA,UHFFFAOYSA,N,Ethionamide sulphoxide,QDQQNGZRIJPDGA-UHFFFAOYSA-N
HMDB60625,218.141913208,C13H18N2O,CCCNCCC1=CC=CC2=C1CC(=O)N2,"InChI=1S/C13H18N2O/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12/h3-5,14H,2,6-9H2,1H3,(H,15,16)",VKDWFHAQOZYATG,UHFFFAOYSA,N,N-despropyl ropinirole,VKDWFHAQOZYATG-UHFFFAOYSA-N
HMDB60626,302.004766104,C8H15O6PS2,CCOC(=O)C(CC(O)=O)SP(=S)(OC)OC,"InChI=1S/C8H15O6PS2/c1-4-14-8(11)6(5-7(9)10)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,9,10)",FARGSBYVTRDSKX,UHFFFAOYSA,N,Malathion monocarboxylic acid,FARGSBYVTRDSKX-UHFFFAOYSA-N
HMDB60627,314.058910164,C10H19O7PS,CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC,"InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3",WSORODGWGUUOBO,UHFFFAOYSA,N,Malaoxon,WSORODGWGUUOBO-UHFFFAOYSA-N
HMDB60629,471.189316909,C25H29NO8,CN(C)CC\C=C1/C2=C(COC3=C1C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C3)C=CC=C2,"InChI=1S/C25H29NO8/c1-26(2)11-5-8-17-16-7-4-3-6-14(16)13-32-19-10-9-15(12-18(17)19)33-25-22(29)20(27)21(28)23(34-25)24(30)31/h3-4,6-10,12,20-23,25,27-29H,5,11,13H2,1-2H3,(H,30,31)/b17-8+",RECOUBTVNVWWDB,CAOOACKPSA,N,Hydroxydesmthyl doxepin glucuronide,RECOUBTVNVWWDB-CAOOACKPSA-N
HMDB60630,295.157228921,C19H21NO2,CN(C)CC\C=C1/C2=CC(O)=CC=C2OCC2=C1C=CC=C2,"InChI=1S/C19H21NO2/c1-20(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-10-9-15(21)12-18(17)19/h3-4,6-10,12,21H,5,11,13H2,1-2H3/b17-8-",GRQPGTWGEQWMMM,IUXPMGMMSA,N,(E)-2-hydroxydoxepin,GRQPGTWGEQWMMM-IUXPMGMMSA-N
HMDB60631,330.149891075,C19H23ClN2O,CN(C)CCCN1C2=CC=CC=C2CC(O)C2=C1C=C(Cl)C=C2,"InChI=1S/C19H23ClN2O/c1-21(2)10-5-11-22-17-7-4-3-6-14(17)12-19(23)16-9-8-15(20)13-18(16)22/h3-4,6-9,13,19,23H,5,10-12H2,1-2H3",SATHMWNGUPSXIE,UHFFFAOYSA,N,Hydroxyclomipramine,SATHMWNGUPSXIE-UHFFFAOYSA-N
HMDB60632,255.162314299,C17H21NO,CNCCOC(C1=CC=CC=C1)C1=CC=CC=C1C,"InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3",PNYKGCPSFKLFKA,UHFFFAOYSA,N,N-Demethyl orphenadrine,PNYKGCPSFKLFKA-UHFFFAOYSA-N
HMDB60633,417.14484698,C19H20FN5O5,CO\N=C1/CN(CC1NC(C)=O)C1=NC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O,"InChI=1S/C19H20FN5O5/c1-9(26)21-14-7-24(8-15(14)23-30-2)18-13(20)5-11-16(27)12(19(28)29)6-25(10-3-4-10)17(11)22-18/h5-6,10,14H,3-4,7-8H2,1-2H3,(H,21,26)(H,28,29)/b23-15+",ZLRGFKRHAFQIIT,HZHRSRAPSA,N,N-Acetyl gemifloxacin,ZLRGFKRHAFQIIT-HZHRSRAPSA-N
HMDB60634,496.15807636,C23H28O12,COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(O)C(O)C2O)C(O)=O)=C1C\C=C(\C)CCC(O)=O,"InChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4-",BYFGTSAYQQIUCN,WTKPLQERSA,N,Mycophenolic acid glucuronide,BYFGTSAYQQIUCN-WTKPLQERSA-N
HMDB60635,764.216379098,C35H40O19,COC1=CC(=CC(OC)=C1OC1OC(C(O)C(O)C1O)C(O)=O)C1C2C(COC2=O)C(OC2OC3COC(C)OC3C(O)C2O)C2=C1C=C1OCOC1=C2,"InChI=1S/C35H40O19/c1-11-46-9-20-30(50-11)25(38)27(40)34(51-20)52-28-14-7-17-16(48-10-49-17)6-13(14)21(22-15(28)8-47-33(22)43)12-4-18(44-2)29(19(5-12)45-3)53-35-26(39)23(36)24(37)31(54-35)32(41)42/h4-7,11,15,20-28,30-31,34-40H,8-10H2,1-3H3,(H,41,42)",URCVASXWNJQAEH,UHFFFAOYSA,N,Etoposide glucuronide,URCVASXWNJQAEH-UHFFFAOYSA-N
HMDB60636,273.973465976,C6H11O6PS2,COP(=S)(OC)SC(CC(O)=O)C(O)=O,"InChI=1S/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)",NIUNKPWHNGMQRE,UHFFFAOYSA,N,Malathion dicarboxylic acid,NIUNKPWHNGMQRE-UHFFFAOYSA-N
HMDB60638,502.970753495,C9H14F2N3O13P3,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)C1(F)F,"InChI=1S/C9H14F2N3O13P3/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,4,6-7,15H,3H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1",YMOXEIOKAJSRQX,QPPQHZFASA,N,Gemcitabine triphosphate,YMOXEIOKAJSRQX-QPPQHZFASA-N
HMDB60639,423.004423085,C9H13F2N3O10P2,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)C1(F)F,"InChI=1S/C9H13F2N3O10P2/c10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1",FRQISCZGNNXEMD,QPPQHZFASA,N,Gemcitabine diphosphate,FRQISCZGNNXEMD-QPPQHZFASA-N
HMDB60640,468.951103153,C8H14N3O12P3S,NC1=NC(=O)N(C=C1)C1CSC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,"InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)",YLEQMGZZMCJKCN,UHFFFAOYSA,N,Lamivudine-triphosphate,YLEQMGZZMCJKCN-UHFFFAOYSA-N
HMDB60641,309.018442333,C8H12N3O6PS,NC1=NC(=O)N(C=C1)C1CSC(COP(O)(O)=O)O1,"InChI=1S/C8H12N3O6PS/c9-5-1-2-11(8(12)10-5)6-4-19-7(17-6)3-16-18(13,14)15/h1-2,6-7H,3-4H2,(H2,9,10,12)(H2,13,14,15)",WUMZLKDCOINBEA,UHFFFAOYSA,N,Lamivudine-monophosphate,WUMZLKDCOINBEA-UHFFFAOYSA-N
HMDB60642,299.152143543,C18H21NO3,NCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1,"InChI=1S/C18H21NO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13,19H2",HIGKMVIPYOFHBP,UHFFFAOYSA,N,N-depropylpropafenone,HIGKMVIPYOFHBP-UHFFFAOYSA-N
HMDB60643,441.047814405,C16H15N3O10S,O[C@H]1C(OC2=CC=CC=C2C(=O)NC2=NC=C(S2)[N+]([O-])=O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C16H15N3O10S/c20-9-10(21)12(14(24)25)29-15(11(9)22)28-7-4-2-1-3-6(7)13(23)18-16-17-5-8(30-16)19(26)27/h1-5,9-12,15,20-22H,(H,24,25)(H,17,18,23)/t9-,10-,11+,12-,15?/m0/s1",UJTOVSZPBVTOMC,VDQYPUQXSA,N,Tizoxanide glucuronide,UJTOVSZPBVTOMC-VDQYPUQXSA-N
HMDB60644,293.271864747,C19H35NO,O[C@H]1CCC(CC1)[C@@H](CC1CCCCN1)C1CCCCC1,"InChI=1S/C19H35NO/c21-18-11-9-16(10-12-18)19(15-6-2-1-3-7-15)14-17-8-4-5-13-20-17/h15-21H,1-14H2/t16?,17?,18-,19-/m0/s1",DZFRYNPJLZCKSC,BTRQGYIVSA,N,cis-Hydroxy Perhexiline,DZFRYNPJLZCKSC-BTRQGYIVSA-N
HMDB60646,295.103084861,C18H17NOS,O=C1CC2=CC=CC=C2C(C2=C1SC=C2)=C1CCNCC1,"InChI=1S/C18H17NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,19H,5-6,8-9,11H2",IYSYPCSSDZBWHN,UHFFFAOYSA,N,Nor-ketotifen,IYSYPCSSDZBWHN-UHFFFAOYSA-N
HMDB60647,271.084457909,C15H13NO4,OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=C(O)C=C1,"InChI=1S/C15H13NO4/c17-10-3-1-9(2-4-10)14(18)13-6-5-12-11(15(19)20)7-8-16(12)13/h1-6,11,17H,7-8H2,(H,19,20)",PIQMOWBWPFGZMW,UHFFFAOYSA,N,4-hydroxy ketorolac,PIQMOWBWPFGZMW-UHFFFAOYSA-N
HMDB60648,168.000983916,C3H2F6O,OC(C(F)(F)F)C(F)(F)F,"InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H",BYEAHWXPCBROCE,UHFFFAOYSA,N,Hexafluoroisopropanol,BYEAHWXPCBROCE-UHFFFAOYSA-N
HMDB60649,255.988902544,C6H8O9S,OC[C@@H](O)[C@H]1OC(=O)C(OS(O)(=O)=O)=C1O,"InChI=1S/C6H8O9S/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h2,4,7-9H,1H2,(H,11,12,13)/t2-,4-/m1/s1",XDBMXUKHMOFBPJ,VVJJHMBFSA,N,Ascorbic acid-2-sulfate,XDBMXUKHMOFBPJ-VVJJHMBFSA-N
HMDB60650,131.094628665,C6H13NO2,OCCN1CCOCC1,"InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2",KKFDCBRMNNSAAW,UHFFFAOYSA,N,N-(2-Hydroxyethyl)-morpholine,KKFDCBRMNNSAAW-UHFFFAOYSA-N
HMDB60651,252.089877638,C15H12N2O2,NC(=O)N1C2=CC=CC=C2C=CC2=CC(O)=CC=C12,"InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)",VPZIYMMSJFWLSP,UHFFFAOYSA,N,2-Hydroxycarbamazepine,VPZIYMMSJFWLSP-UHFFFAOYSA-N
HMDB60652,209.084063979,C14H11NO,OC1=CC=C2NC3=CC=CC=C3C=CC2=C1,"InChI=1S/C14H11NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9,15-16H",FKCUOSGTQJAUQX,UHFFFAOYSA,N,2-Hydroxyiminostilbene,FKCUOSGTQJAUQX-UHFFFAOYSA-N
HMDB60653,252.089877638,C15H12N2O2,NC(=O)N1C2=CC=CC=C2C=CC2=CC=C(O)C=C12,"InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)",QQCFBZCATDIWTH,UHFFFAOYSA,N,3-Hydroxycarbamazepine,QQCFBZCATDIWTH-UHFFFAOYSA-N
HMDB60654,340.158706131,C20H21FN2O2,CN(C)(=O)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,"InChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3",DIOGFDCEWUUSBQ,UHFFFAOYSA,N,Citalopram N-oxide,DIOGFDCEWUUSBQ-UHFFFAOYSA-N
HMDB60655,250.168127958,C14H22N2O2,CCN(CC)CC(=O)NC1=C(C)C=CC(O)=C1C,"InChI=1S/C14H22N2O2/c1-5-16(6-2)9-13(18)15-14-10(3)7-8-12(17)11(14)4/h7-8,17H,5-6,9H2,1-4H3,(H,15,18)",PMGUCIDDSCRAMY,UHFFFAOYSA,N,3-Hydroxylidocaine,PMGUCIDDSCRAMY-UHFFFAOYSA-N
HMDB60656,206.141913208,C12H18N2O,CCNCC(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15)",WRMRXPASUROZGT,UHFFFAOYSA,N,Monoethylglycinexylidide,WRMRXPASUROZGT-UHFFFAOYSA-N
HMDB60657,285.136493479,C17H19NO3,[H][C@]12C=C[C@H](O)[C@@H]3OC4=C5C(C[C@H]1NCC[C@@]235)=CC=C4OC,"InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10-,11+,12-,16-,17-/m0/s1",HKOIXWVRNLGFOR,KOFBORESSA,N,Norcodeine,HKOIXWVRNLGFOR-KOFBORESSA-N
HMDB60658,252.089877638,C15H12N2O2,NC(=O)N1C2=CC=CC=C2C2OC2C2=CC=CC=C12,"InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)",ZRWWEEVEIOGMMT,UHFFFAOYSA,N,"Carbamazepine-10,11-epoxide",ZRWWEEVEIOGMMT-UHFFFAOYSA-N
HMDB60659,127.038176419,C4H5N3O2,CN1C=NC(=C1)[N+]([O-])=O,"InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3",HSCOLDQJZRZQMV,UHFFFAOYSA,N,1-Methyl-4-nitroimidazole,HSCOLDQJZRZQMV-UHFFFAOYSA-N
HMDB60660,443.990586402,C10H14N4O10P2S,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2S,"InChI=1S/C10H14N4O10P2S/c15-6-4(1-22-26(20,21)24-25(17,18)19)23-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,11,12,27)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1",MHJZYMCYLFGDRD,KQYNXXCUSA,N,6-Mercaptopurine ribonucleoside 5'-diphosphate,MHJZYMCYLFGDRD-KQYNXXCUSA-N
HMDB60661,618.268964212,C33H38N4O8,CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CC3)NCCCCC(O)=O)C=C12,"InChI=1S/C33H38N4O8/c1-3-21-22-15-20(45-32(42)36-13-10-19(11-14-36)34-12-6-5-7-28(38)39)8-9-26(22)35-29-23(21)17-37-27(29)16-25-24(30(37)40)18-44-31(41)33(25,43)4-2/h8-9,15-16,19,34,43H,3-7,10-14,17-18H2,1-2H3,(H,38,39)/t33-/m0/s1",BSVVZICJFYZDJJ,XIFFEERXSA,N,APC,BSVVZICJFYZDJJ-XIFFEERXSA-N
HMDB60663,265.069870477,C11H11N3O5,OC(=O)CC\C(=N/NC(=O)C1=CC=NC=C1)C(O)=O,"InChI=1S/C11H11N3O5/c15-9(16)2-1-8(11(18)19)13-14-10(17)7-3-5-12-6-4-7/h3-6H,1-2H2,(H,14,17)(H,15,16)(H,18,19)/b13-8+",CCBSJXHUMYNUKH,MDWZMJQESA,N,Isoniazid alpha-ketoglutaric acid,CCBSJXHUMYNUKH-MDWZMJQESA-N
HMDB60664,207.064391169,C9H9N3O3,C\C(=N/NC(=O)C1=CC=NC=C1)C(O)=O,"InChI=1S/C9H9N3O3/c1-6(9(14)15)11-12-8(13)7-2-4-10-5-3-7/h2-5H,1H3,(H,12,13)(H,14,15)/b11-6+",ZGGPNDKKJIWQJU,IZZDOVSWSA,N,Isoniazid pyruvate,ZGGPNDKKJIWQJU-IZZDOVSWSA-N
HMDB60665,123.032028409,C6H5NO2,OC(=O)C1=CC=NC=C1,"InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)",TWBYWOBDOCUKOW,UHFFFAOYSA,N,Isonicotinic acid,TWBYWOBDOCUKOW-UHFFFAOYSA-N
HMDB60666,373.204179113,C25H27NO2,CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCNC)C=C1)C1=CC=CC=C1,"InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-",MHJBZVSGOZTKRH,IZHYLOQSSA,N,Endoxifen,MHJBZVSGOZTKRH-IZHYLOQSSA-N
HMDB60668,373.204179113,C25H27NO2,CNCCOC1=CC=C(C=C1)C(=C(\C(C)O)C1=CC=CC=C1)\C1=CC=CC=C1,"InChI=1S/C25H27NO2/c1-19(27)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-13-15-23(16-14-22)28-18-17-26-2/h3-16,19,26-27H,17-18H2,1-2H3/b25-24-",GREXPZNIZPCGIV,IZHYLOQSSA,N,alpha-Hydroxy-N-desmethyltamoxifen,GREXPZNIZPCGIV-IZHYLOQSSA-N
HMDB60669,254.090271568,C11H14N2O5,NC(=O)OCC(COC(N)=O)C1=CC=C(O)C=C1,"InChI=1S/C11H14N2O5/c12-10(15)17-5-8(6-18-11(13)16)7-1-3-9(14)4-2-7/h1-4,8,14H,5-6H2,(H2,12,15)(H2,13,16)",PXBZEVLDFAKFLV,UHFFFAOYSA,N,p-Hydroxyfelbamate,PXBZEVLDFAKFLV-UHFFFAOYSA-N
HMDB60670,254.090271568,C11H14N2O5,NC(=O)OCC(O)(COC(N)=O)C1=CC=CC=C1,"InChI=1S/C11H14N2O5/c12-9(14)17-6-11(16,7-18-10(13)15)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,12,14)(H2,13,15)",VTXNIAJKDLEHGX,UHFFFAOYSA,N,2-Hydroxyfelbamate,VTXNIAJKDLEHGX-UHFFFAOYSA-N
HMDB60671,132.057514878,C9H8O,C=C(C=O)C1=CC=CC=C1,"InChI=1S/C9H8O/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H2",ZFBRJUBOJXNIQM,UHFFFAOYSA,N,Atropaldehyde,ZFBRJUBOJXNIQM-UHFFFAOYSA-N
HMDB60672,263.167399677,C19H21N,CCC1=NC(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H21N/c1-3-18-19(14-15(2)20-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3",UPZKJIHNKKJIKX,UHFFFAOYSA,N,"2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline",UPZKJIHNKKJIKX-UHFFFAOYSA-N
HMDB60673,268.08479226,C15H12N2O3,NC(=O)N1C2=CC=CC=C2C=CC2=CC(O)=C(O)C=C12,"InChI=1S/C15H12N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-7-13(18)14(19)8-12(10)17/h1-8,18-19H,(H2,16,20)",YITIUNLDWDJVSI,UHFFFAOYSA,N,"2,3-Dihydroxycarbamazepine",YITIUNLDWDJVSI-UHFFFAOYSA-N
HMDB60675,207.068413915,C14H9NO,O=C1C=CC2=NC3=CC=CC=C3C=CC2=C1,InChI=1S/C14H9NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9H,CVKDTTCYQAJIAC,UHFFFAOYSA,N,Carbamazepine iminoquinone,CVKDTTCYQAJIAC-UHFFFAOYSA-N
HMDB60676,254.105527702,C15H14N2O2,NC(=O)N1C2=CC=CC=C2CC(O)C2=CC=CC=C12,"InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)",BMPDWHIDQYTSHX,UHFFFAOYSA,N,10-Hydroxycarbazepine,BMPDWHIDQYTSHX-UHFFFAOYSA-N
HMDB60677,121.089149357,C8H11N,CC1=CC=CC(C)=C1N,"InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3",UFFBMTHBGFGIHF,UHFFFAOYSA,N,"2,6-Dimethylaniline",UFFBMTHBGFGIHF-UHFFFAOYSA-N
HMDB60678,222.13682783,C12H18N2O2,CCNCC(=O)NC1=C(C)C=CC(O)=C1C,"InChI=1S/C12H18N2O2/c1-4-13-7-11(16)14-12-8(2)5-6-10(15)9(12)3/h5-6,13,15H,4,7H2,1-3H3,(H,14,16)",YITCMQBVWIHTTA,UHFFFAOYSA,N,3-Hydroxymonoethylglycinexylidide,YITCMQBVWIHTTA-UHFFFAOYSA-N
HMDB60679,178.11061308,C10H14N2O,CC1=CC=CC(C)=C1NC(=O)CN,"InChI=1S/C10H14N2O/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)",IXYVBZOSGGJWCW,UHFFFAOYSA,N,Glycinexylidide,IXYVBZOSGGJWCW-UHFFFAOYSA-N
HMDB60680,151.063328537,C8H9NO2,CC1=C(N)C(=CC=C1)C(O)=O,"InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)",WNAJXPYVTFYEST,UHFFFAOYSA,N,2-Amino-3-methylbenzoate,WNAJXPYVTFYEST-UHFFFAOYSA-N
HMDB60681,137.084063979,C8H11NO,CC1=CC(O)=CC(C)=C1N,"InChI=1S/C8H11NO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,9H2,1-2H3",GCWYXRHXGLFVFE,UHFFFAOYSA,N,"4-Hydroxy-2,6-dimethylaniline",GCWYXRHXGLFVFE-UHFFFAOYSA-N
HMDB60682,140.083729628,C8H12O2,CCC\C(=C/C=C)C(O)=O,"InChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3,5H,1,4,6H2,2H3,(H,9,10)/b7-5+",UUILWXIBBZVJDU,FNORWQNLSA,N,"2-Propyl-2,4-pentadienoic acid",UUILWXIBBZVJDU-FNORWQNLSA-N
HMDB60683,158.094294314,C8H14O3,CCCC(CC(C)=O)C(O)=O,"InChI=1S/C8H14O3/c1-3-4-7(8(10)11)5-6(2)9/h7H,3-5H2,1-2H3,(H,10,11)",HJRMYVTYHORJKC,UHFFFAOYSA,N,2-n-Propyl-4-oxopentanoic acid,HJRMYVTYHORJKC-UHFFFAOYSA-N
HMDB60684,174.089208936,C8H14O4,CCCC(CCC(O)=O)C(O)=O,"InChI=1S/C8H14O4/c1-2-3-6(8(11)12)4-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)",IFNXFIJXYVEYLF,UHFFFAOYSA,N,2-Propylglutaric acid,IFNXFIJXYVEYLF-UHFFFAOYSA-N
HMDB60685,158.094294314,C8H14O3,CCCC(C(O)=O)C(=O)CC,"InChI=1S/C8H14O3/c1-3-5-6(8(10)11)7(9)4-2/h6H,3-5H2,1-2H3,(H,10,11)",PPYHXKUZTSZTQU,UHFFFAOYSA,N,3-Oxovalproic acid,PPYHXKUZTSZTQU-UHFFFAOYSA-N
HMDB60686,274.004084218,C7H13Cl2N2O3P,ClCCN(CCCl)P1(=O)NC(=O)CCO1,"InChI=1S/C7H13Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h1-6H2,(H,10,12,13)",VBMZHOCORXMDJU,UHFFFAOYSA,N,4-Ketocyclophosphamide,VBMZHOCORXMDJU-UHFFFAOYSA-N
HMDB60687,292.014648904,C7H15Cl2N2O4P,NP(=O)(OCCC(O)=O)N(CCCl)CCCl,"InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13)",QLAKAJLYYGOZQL,UHFFFAOYSA,N,Carboxycyclophosphamide,QLAKAJLYYGOZQL-UHFFFAOYSA-N
HMDB60688,141.011204707,C4H9Cl2N,ClCCNCCCl,"InChI=1S/C4H9Cl2N/c5-1-3-7-4-2-6/h7H,1-4H2",TXFLGZOGNOOEFZ,UHFFFAOYSA,N,Nornitrogen mustard,TXFLGZOGNOOEFZ-UHFFFAOYSA-N
HMDB60689,219.993519532,C4H11Cl2N2O2P,NP(O)(=O)N(CCCl)CCCl,"InChI=1S/C4H11Cl2N2O2P/c5-1-3-8(4-2-6)11(7,9)10/h1-4H2,(H3,7,9,10)",RJXQSIKBGKVNRT,UHFFFAOYSA,N,Phosphoramide mustard,RJXQSIKBGKVNRT-UHFFFAOYSA-N
HMDB60690,274.004084218,C7H13Cl2N2O3P,ClCCNP1(=O)OCCC(=O)N1CCCl,"InChI=1S/C7H13Cl2N2O3P/c8-2-4-10-15(13)11(5-3-9)7(12)1-6-14-15/h1-6H2,(H,10,13)",PEZLCTIXHCOEOG,UHFFFAOYSA,N,4-Ketoifosfamide,PEZLCTIXHCOEOG-UHFFFAOYSA-N
HMDB60691,219.993519532,C4H11Cl2N2O2P,OP(=O)(NCCCl)NCCCl,"InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)",BKCJZNIZRWYHBN,UHFFFAOYSA,N,Isophosphamide mustard,BKCJZNIZRWYHBN-UHFFFAOYSA-N
HMDB60692,292.014648904,C7H15Cl2N2O4P,OC(=O)CCOP(=O)(NCCCl)NCCCl,"InChI=1S/C7H15Cl2N2O4P/c8-2-4-10-16(14,11-5-3-9)15-6-1-7(12)13/h1-6H2,(H,12,13)(H2,10,11,14)",DNDBVHDNSYHKLI,UHFFFAOYSA,N,Carboxyifosfamide,DNDBVHDNSYHKLI-UHFFFAOYSA-N
HMDB60693,278.035384346,C7H17Cl2N2O3P,OCCCOP(=O)(NCCCl)NCCCl,"InChI=1S/C7H17Cl2N2O3P/c8-2-4-10-15(13,11-5-3-9)14-7-1-6-12/h12H,1-7H2,(H2,10,11,13)",JOAQXFLTMDRBOD,UHFFFAOYSA,N,Alcoifosfamide,JOAQXFLTMDRBOD-UHFFFAOYSA-N
HMDB60699,281.141578857,C18H19NO2,CNCC\C=C1/C2=C(COC3=C1C=C(O)C=C3)C=CC=C2,"InChI=1S/C18H19NO2/c1-19-10-4-7-16-15-6-3-2-5-13(15)12-21-18-9-8-14(20)11-17(16)18/h2-3,5-9,11,19-20H,4,10,12H2,1H3/b16-7+",LUWRONBNZDYVBL,FRKPEAEDSA,N,(E)-2-Hydroxy-N-desmethyldoxepin,LUWRONBNZDYVBL-FRKPEAEDSA-N
HMDB60700,471.189316909,C25H29NO8,CN(C)CC\C=C1/C2=C(COC3=C1C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C3)C=CC=C2,"InChI=1S/C25H29NO8/c1-26(2)11-5-8-17-16-7-4-3-6-14(16)13-32-19-10-9-15(12-18(17)19)33-25-22(29)20(27)21(28)23(34-25)24(30)31/h3-4,6-10,12,20-23,25,27-29H,5,11,13H2,1-2H3,(H,30,31)/b17-8+",RECOUBTVNVWWDB,CAOOACKPSA,N,(E)-2-Hydroxydoxepin glucuronide,RECOUBTVNVWWDB-CAOOACKPSA-N
HMDB60701,254.105527702,C15H14N2O2,NC(=O)N1C2=CC=CC=C2C[C@@H](O)C2=C1C=CC=C2,"InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m1/s1",BMPDWHIDQYTSHX,CQSZACIVSA,N,(R)-MHD,BMPDWHIDQYTSHX-CQSZACIVSA-N
HMDB60702,254.105527702,C15H14N2O2,NC(=O)N1C2=CC=CC=C2C[C@H](O)C2=C1C=CC=C2,"InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1",BMPDWHIDQYTSHX,AWEZNQCLSA,N,(S)-MHD,BMPDWHIDQYTSHX-AWEZNQCLSA-N
HMDB60703,195.162314299,C12H21NO,CC12CC3CC(N)(C1)CC(CO)(C3)C2,"InChI=1S/C12H21NO/c1-10-2-9-3-11(5-10,8-14)7-12(13,4-9)6-10/h9,14H,2-8,13H2,1H3",YANGLOGEEOBUMT,UHFFFAOYSA,N,1-Amino-3-hydroxymethyl-5-methyl-adamantane,YANGLOGEEOBUMT-UHFFFAOYSA-N
HMDB60704,211.076391782,C11H14ClNO,CC1(O)CNCCC2=CC=C(Cl)C=C12,"InChI=1S/C11H14ClNO/c1-11(14)7-13-5-4-8-2-3-9(12)6-10(8)11/h2-3,6,13-14H,4-5,7H2,1H3",AHFHLPCZDZHXDN,UHFFFAOYSA,N,1-Hydroxylorcaserin,AHFHLPCZDZHXDN-UHFFFAOYSA-N
HMDB60705,458.1437637,C21H22N4O8,CC1=C2N=C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C3=C(N=CC=C3)N(C3CC3O)C2=NC=C1,"InChI=1S/C21H22N4O8/c1-8-4-6-23-18-12(8)24-19(9-3-2-5-22-17(9)25(18)10-7-11(10)26)33-21-15(29)13(27)14(28)16(32-21)20(30)31/h2-6,10-11,13-16,21,26-29H,7H2,1H3,(H,30,31)/t10?,11?,13-,14-,15+,16-,21?/m0/s1",UVZMQJUCOZEMQZ,RDPCRGLVSA,N,12-Hydroxynevirapine glucuronide,UVZMQJUCOZEMQZ-RDPCRGLVSA-N
HMDB60706,789.466326613,C43H67NO12,[H][C@]12O[C@](O)([C@H](C)C[C@@H]1O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)\C=C(C)/C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC,"InChI=1S/C43H67NO12/c1-9-12-30-18-24(2)17-25(3)19-37(54-8)39-35(48)21-27(5)43(52,56-39)40(49)41(50)44-16-11-10-13-31(44)42(51)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)36(22-29)53-7/h9,18,20,25,27-33,35-39,45-46,48,52H,1,10-17,19,21-23H2,2-8H3/b24-18-,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35-,36+,37-,38+,39-,43+/m0/s1",OGJRKILIPRVJFS,GOJJZGEOSA,N,13-Demethyl tacrolimus,OGJRKILIPRVJFS-GOJJZGEOSA-N
HMDB60707,326.224580204,C22H30O2,CC[C@]12CC(=C)C3[C@@H](CCC4=CC(O)CC[C@H]34)C1CCC2(O)C#C,"InChI=1S/C22H30O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,16-20,23-24H,3-4,6-11,13H2,1H3/t16?,17-,18-,19?,20?,21-,22?/m0/s1",ZMLDTNLDYRJTAZ,MTRZUGBVSA,N,15beta-Hydroxydesogestrel,ZMLDTNLDYRJTAZ-MTRZUGBVSA-N
HMDB60708,432.170351745,C24H29ClO5,CC(=O)O[C@@]1(CC(O)[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C5CC5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O,"InChI=1S/C24H29ClO5/c1-11(26)24(30-12(2)27)10-20(29)21-14-8-18(25)17-9-19(28)13-7-16(13)23(17,4)15(14)5-6-22(21,24)3/h8-9,13-16,20-21,29H,5-7,10H2,1-4H3/t13?,14-,15+,16?,20?,21-,22+,23+,24+/m1/s1",HRANPRDGABOKNQ,RXHWKJIASA,N,15beta-hydroxycyproterone acetate,HRANPRDGABOKNQ-RXHWKJIASA-N
HMDB60709,566.308306155,C30H51BrN2O3,[Br-].C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@H](C[C@]34C)N3CCOCC3)[C@@H]1C[C@@H]([C@@H]2O)[N+]1(CC=C)CCCC1,"InChI=1S/C30H51N2O3.BrH/c1-4-13-32(14-5-6-15-32)26-19-24-22-8-7-21-18-27(33)25(31-11-16-35-17-12-31)20-30(21,3)23(22)9-10-29(24,2)28(26)34;/h4,21-28,33-34H,1,5-20H2,2-3H3;1H/q+1;/p-1/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-;/m0./s1",KJLODZNGZVUFDC,DSBFZBMTSA,M,17-Desacetyl-rocuronium,KJLODZNGZVUFDC-DSBFZBMTSA-M
HMDB60710,342.219494826,C22H30O3,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](CO)C[C@]34C)[C@@H]1CCC2(O)C#C,"InChI=1S/C22H30O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14-,16+,17-,18-,20-,21-,22?/m0/s1",JGJFMZZHCOKXHX,RIONBYPISA,N,17-Hydroxymethylethisterone,JGJFMZZHCOKXHX-RIONBYPISA-N
HMDB60711,237.090211989,C14H11N3O,N=C1NC2=C(N1)C=C(C=C2)C(=O)C1=CC=CC=C1,"InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)",GPMHHSJZGVOEFS,UHFFFAOYSA,N,2-Amino-5-benzoylbenzimidazole,GPMHHSJZGVOEFS-UHFFFAOYSA-N
HMDB60712,215.001702653,C8H7Cl2N3,ClC1=C(Cl)C2=C(NC(=N)NC2)C=C1,"InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)",VBKOTIVQMCTTAQ,UHFFFAOYSA,N,"2-Amino-5,6-dichloro-3,4,-dihydroquinazoline",VBKOTIVQMCTTAQ-UHFFFAOYSA-N
HMDB60713,524.961858212,C10H15ClN5O12P3,NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N1,"InChI=1S/C10H15ClN5O12P3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t4-,5+,6+/m0/s1",PZCJNHCKXRBBNN,KVQBGUIXSA,N,2-Chloro-2'-deoxyadenosine-5'-triphosphate,PZCJNHCKXRBBNN-KVQBGUIXSA-N
HMDB60714,891.204023371,C29H48N7O17P3S,CCC\C(=C/CC)C(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C29H48N7O17P3S/c1-5-7-17(8-6-2)28(41)57-12-11-31-19(37)9-10-32-26(40)23(39)29(3,4)14-50-56(47,48)53-55(45,46)49-13-18-22(52-54(42,43)44)21(38)27(51-18)36-16-35-20-24(30)33-15-34-25(20)36/h7,15-16,18,21-23,27,38-39H,5-6,8-14H2,1-4H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b17-7+/t18-,21-,22-,23+,27-/m0/s1",HEDYLZWFAMEVGS,MFVXEZHDSA,N,2-ene-Valproic acid CoA,HEDYLZWFAMEVGS-MFVXEZHDSA-N
HMDB60715,206.019078641,C8H5F3O3,OC(=O)C1=C(O)C=C(C=C1)C(F)(F)F,"InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)",XMLFPUBZFSJWCN,UHFFFAOYSA,N,2-Hydroxy-4-trifluoromethyl benzoic acid,XMLFPUBZFSJWCN-UHFFFAOYSA-N
HMDB60716,458.205301324,C24H30N2O7,CNCCCN1C2=CC=CC=C2CCC2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=CC=C12,"InChI=1S/C24H30N2O7/c1-25-11-4-12-26-17-6-3-2-5-14(17)7-8-15-13-16(9-10-18(15)26)32-24-21(29)19(27)20(28)22(33-24)23(30)31/h2-3,5-6,9-10,13,19-22,24-25,27-29H,4,7-8,11-12H2,1H3,(H,30,31)/t19-,20-,21+,22-,24+/m0/s1",XJHAOJJEVSPMBA,QMDPOKHVSA,N,2-Hydroxy-desipramine glucuronide,XJHAOJJEVSPMBA-QMDPOKHVSA-N
HMDB60717,472.220951388,C25H32N2O7,CN(C)CCCN1C2=CC=CC=C2CCC2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=CC=C12,"InChI=1S/C25H32N2O7/c1-26(2)12-5-13-27-18-7-4-3-6-15(18)8-9-16-14-17(10-11-19(16)27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h3-4,6-7,10-11,14,20-23,25,28-30H,5,8-9,12-13H2,1-2H3,(H,31,32)/t20-,21-,22+,23-,25+/m0/s1",CBEJFHYWZSCYSD,LYVDORBWSA,N,2-Hydroxy-imipramine glucuronide,CBEJFHYWZSCYSD-LYVDORBWSA-N
HMDB60718,330.149891075,C19H23ClN2O,CN(C)CCCN1C2=CC=CC=C2CCC2=CC(O)=C(Cl)C=C12,"InChI=1S/C19H23ClN2O/c1-21(2)10-5-11-22-17-7-4-3-6-14(17)8-9-15-12-19(23)16(20)13-18(15)22/h3-4,6-7,12-13,23H,5,8-11H2,1-2H3",QXZNSJJZRXNDJQ,UHFFFAOYSA,N,2-Hydroxyclomipramine,QXZNSJJZRXNDJQ-UHFFFAOYSA-N
HMDB60719,326.224580204,C22H30O2,CC[C@]12CC(=C)C3[C@@H](CCC4=CCC(O)C[C@H]34)C1CCC2(O)C#C,"InChI=1S/C22H30O2/c1-4-21-13-14(3)20-17(19(21)10-11-22(21,24)5-2)9-7-15-6-8-16(23)12-18(15)20/h2,6,16-20,23-24H,3-4,7-13H2,1H3/t16?,17-,18-,19?,20?,21-,22?/m0/s1",QIHOGMOPCFYMJU,MTRZUGBVSA,N,2-Hydroxydesogestrel,QIHOGMOPCFYMJU-MTRZUGBVSA-N
HMDB60720,458.1437637,C21H22N4O8,CC1=CC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=NC2=C1N=C(O)C1=C(N=CC=C1)N2C1CC1,"InChI=1S/C21H22N4O8/c1-8-7-11(32-21-15(28)13(26)14(27)16(33-21)20(30)31)23-18-12(8)24-19(29)10-3-2-6-22-17(10)25(18)9-4-5-9/h2-3,6-7,9,13-16,21,26-28H,4-5H2,1H3,(H,24,29)(H,30,31)/t13-,14-,15+,16-,21+/m0/s1",RNMZKTLILDCQOC,KUSYAZKWSA,N,2-Hydroxynevirapine glucuronide,RNMZKTLILDCQOC-KUSYAZKWSA-N
HMDB60721,248.116092388,C13H16N2O3,COC1=CC2=C(NC(=O)C2CCNC(C)=O)C=C1,"InChI=1S/C13H16N2O3/c1-8(16)14-6-5-10-11-7-9(18-2)3-4-12(11)15-13(10)17/h3-4,7,10H,5-6H2,1-2H3,(H,14,16)(H,15,17)",HNEAVHQAQROOMN,UHFFFAOYSA,N,2-Oxomelatonin,HNEAVHQAQROOMN-UHFFFAOYSA-N
HMDB60722,137.047678473,C7H7NO2,OC(=O)CC1=CC=CC=N1,"InChI=1S/C7H7NO2/c9-7(10)5-6-3-1-2-4-8-6/h1-4H,5H2,(H,9,10)",BPSNETAIJADFTO,UHFFFAOYSA,N,2-Pyridylacetic acid,BPSNETAIJADFTO-UHFFFAOYSA-N
HMDB60723,890.196198339,C29H47N7O17P3S,CC[CH]C(\C=C\C)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C29H47N7O17P3S/c1-5-7-17(8-6-2)28(41)57-12-11-31-19(37)9-10-32-26(40)23(39)29(3,4)14-50-56(47,48)53-55(45,46)49-13-18-22(52-54(42,43)44)21(38)27(51-18)36-16-35-20-24(30)33-15-34-25(20)36/h5,7-8,15-18,21-23,27,38-39H,6,9-14H2,1-4H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b7-5+/t17?,18-,21-,22-,23?,27-/m0/s1",HHTBSDBEURXGDY,SBRPTYDJSA,N,"2,3-diene-Valproic acid-CoA",HHTBSDBEURXGDY-SBRPTYDJSA-N
HMDB60724,220.096025648,C10H12N4O2,COC1=C(OC)C=C2C(=N)NC(=N)NC2=C1,"InChI=1S/C10H12N4O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3,(H4,11,12,13,14)",ZCIPYVXKMWNKLZ,UHFFFAOYSA,N,"2,4-Diamino-6,7-dimethoxyquinazoline",ZCIPYVXKMWNKLZ-UHFFFAOYSA-N
HMDB60725,232.157563272,C14H20N2O,CC1=CC=CC(C)=C1N=C(O)C1CCCCN1,"InChI=1S/C14H20N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,16,17)",SILRCGDPZGQJOQ,UHFFFAOYSA,N,"2,6-Pipecoloxylidide",SILRCGDPZGQJOQ-UHFFFAOYSA-N
HMDB60726,309.022447639,C12H5F6NO2,OC(=O)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F,"InChI=1S/C12H5F6NO2/c13-11(14,15)7-3-1-2-5-6(10(20)21)4-8(12(16,17)18)19-9(5)7/h1-4H,(H,20,21)",QJTJIQBSZLFWFS,UHFFFAOYSA,N,"2,8-bis-Trifluoromethyl-4-quinoline carboxylic acid",QJTJIQBSZLFWFS-UHFFFAOYSA-N
HMDB60727,264.05577785,C9H10F2N2O5,OC[C@@H]1O[C@H](N2C=CC(O)=NC2=O)C(F)(F)[C@@H]1O,"InChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17)/t4-,6+,7-/m0/s1",FIRDBEQIJQERSE,JHYUDYDFSA,N,"2',2'-Difluorodeoxyuridine",FIRDBEQIJQERSE-JHYUDYDFSA-N
HMDB60728,475.005915915,C10H16N5O11P3,NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O1,"InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1",OAKPWEUQDVLTCN,NKWVEPMBSA,N,"2',3'-Dideoxyadenosine-5-triphosphate",OAKPWEUQDVLTCN-NKWVEPMBSA-N
HMDB60729,310.266051088,C23H34,CC(C)C1CCC2C3C=CC4=CC(=C)CCC4(C)C3CCC12C,"InChI=1S/C23H34/c1-15(2)19-8-9-20-18-7-6-17-14-16(3)10-12-22(17,4)21(18)11-13-23(19,20)5/h6-7,14-15,18-21H,3,8-13H2,1-2,4-5H3",YUDUQGLCBDGGNA,UHFFFAOYSA,N,20-Dihydrodydrogesterone,YUDUQGLCBDGGNA-UHFFFAOYSA-N
HMDB60730,392.256274262,C23H36O5,C[C@@]12[C@H](CC[C@]1(O)C1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)[C@@H]1COC(=O)C1,"InChI=1S/C23H36O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h13-19,24-25,27H,3-12H2,1-2H3/t13-,14+,15-,16+,17?,18-,19+,21-,22-,23-/m0/s1",MWPLZPAHTHIKQB,WFGOHPFPSA,N,"20, 22-Dihydrodigoxigenin",MWPLZPAHTHIKQB-WFGOHPFPSA-N
HMDB60731,390.240624198,C23H34O5,C[C@@]12[C@H](CC[C@]1(O)C1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1,"InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17?,18+,19-,21+,22+,23+/m1/s1",SHIBSTMRCDJXLN,UHJLBCFUSA,N,Digoxigenin,SHIBSTMRCDJXLN-UHJLBCFUSA-N
HMDB60732,780.394558654,C41H56N4O11,CO[C@H]1\C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(N=C(O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H]1C)C(C=NN1CCN(C)CC1)=C2O,"InChI=1S/C41H56N4O11/c1-20-11-10-12-21(2)40(53)43-31-26(19-42-45-16-14-44(8)15-17-45)36(50)28-29(37(31)51)35(49)25(6)38-30(28)39(52)41(7,56-38)55-18-13-27(54-9)22(3)33(47)24(5)34(48)23(4)32(20)46/h10-13,18-20,22-24,27,32-34,46-51H,14-17H2,1-9H3,(H,43,53)/b11-10-,18-13-,21-12-,42-19-/t20-,22-,23+,24-,27-,32-,33+,34+,41-/m0/s1",KUJZTIJOBQNKDR,WINKZEBYSA,N,25-O-Desacetyl rifabutin,KUJZTIJOBQNKDR-WINKZEBYSA-N
HMDB60733,196.073558872,C10H12O4,CC(O)(CC1=CC(O)=CC=C1)C(O)=O,"InChI=1S/C10H12O4/c1-10(14,9(12)13)6-7-3-2-4-8(11)5-7/h2-5,11,14H,6H2,1H3,(H,12,13)",DQCFPKHWBJEWFV,UHFFFAOYSA,N,3-(3-Hydroxyphenyl)-2-methyllactic acid,DQCFPKHWBJEWFV-UHFFFAOYSA-N
HMDB60734,180.07864425,C10H12O3,CC(CC1=CC(O)=CC=C1)C(O)=O,"InChI=1S/C10H12O3/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5H2,1H3,(H,12,13)",ZTHRBJCNTAYZRE,UHFFFAOYSA,N,3-(3-Hydroxyphenyl)-2-methylpropionic acid,ZTHRBJCNTAYZRE-UHFFFAOYSA-N
HMDB60735,196.073558872,C10H12O4,CC(CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C10H12O4/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-3,5-6,11-12H,4H2,1H3,(H,13,14)",GIIOASILGOFVPI,UHFFFAOYSA,N,"3-(3,4-Dihydroxyphenyl)-2-methylpropionic acid",GIIOASILGOFVPI-UHFFFAOYSA-N
HMDB60736,226.084123558,C11H14O5,COC1=C(O)C=CC(CC(C)(O)C(O)=O)=C1,"InChI=1S/C11H14O5/c1-11(15,10(13)14)6-7-3-4-8(12)9(5-7)16-2/h3-5,12,15H,6H2,1-2H3,(H,13,14)",YNNLUYGFVUZDAD,UHFFFAOYSA,N,3-(4-Hydroxy-3-methoxyphenyl)-2-methyllactic acid,YNNLUYGFVUZDAD-UHFFFAOYSA-N
HMDB60737,210.089208936,C11H14O4,COC1=C(O)C=CC(CC(C)C(O)=O)=C1,"InChI=1S/C11H14O4/c1-7(11(13)14)5-8-3-4-9(12)10(6-8)15-2/h3-4,6-7,12H,5H2,1-2H3,(H,13,14)",XUQXZROVMZNKPO,UHFFFAOYSA,N,3-(4-Hydroxy-3-methoxyphenyl)-2-methylpropionic acid,XUQXZROVMZNKPO-UHFFFAOYSA-N
HMDB60738,195.162314299,C12H21NO,CC12CC3(C)CC(N)(C1)CC(O)(C2)C3,"InChI=1S/C12H21NO/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10/h14H,3-8,13H2,1-2H3",HSRBAOBUCHCHTQ,UHFFFAOYSA,N,"3-Amino-1-hydroxy-5,7-dimethyl-adamantane",HSRBAOBUCHCHTQ-UHFFFAOYSA-N
HMDB60739,102.042927446,C3H6N2O2,NN1CCOC1=O,"InChI=1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2",KYCJNIUHWNJNCT,UHFFFAOYSA,N,3-Amino-2-oxazolidone,KYCJNIUHWNJNCT-UHFFFAOYSA-N
HMDB60740,891.204023371,C29H48N7O17P3S,CCCC(\C=C\C)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C29H48N7O17P3S/c1-5-7-17(8-6-2)28(41)57-12-11-31-19(37)9-10-32-26(40)23(39)29(3,4)14-50-56(47,48)53-55(45,46)49-13-18-22(52-54(42,43)44)21(38)27(51-18)36-16-35-20-24(30)33-15-34-25(20)36/h5,7,15-18,21-23,27,38-39H,6,8-14H2,1-4H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b7-5+/t17?,18-,21-,22-,23?,27-/m0/s1",CDWYHFOJNDZKOE,SBRPTYDJSA,N,3-ene-Valproic acid CoA,CDWYHFOJNDZKOE-SBRPTYDJSA-N
HMDB60741,110.048012824,C5H6N2O,OC1=CNC=CC1=N,"InChI=1S/C5H6N2O/c6-4-1-2-7-3-5(4)8/h1-3,8H,(H2,6,7)",DBDKLFOUWUHPDW,UHFFFAOYSA,N,3-Hydroxy-4-aminopyridine,DBDKLFOUWUHPDW-UHFFFAOYSA-N
HMDB60742,250.131742452,C13H18N2O3,COC1=CC2=C(NCC2(O)CCN=C(C)O)C=C1,"InChI=1S/C13H18N2O3/c1-9(16)14-6-5-13(17)8-15-12-4-3-10(18-2)7-11(12)13/h3-4,7,15,17H,5-6,8H2,1-2H3,(H,14,16)",DWMWOUAIGKAJNF,UHFFFAOYSA,N,3-Hydroxymelatonin,DWMWOUAIGKAJNF-UHFFFAOYSA-N
HMDB60743,458.1437637,C21H22N4O8,CC1=C2N=C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1O,"InChI=1S/C21H22N4O8/c1-8-11(26)7-23-18-12(8)24-19(10-3-2-6-22-17(10)25(18)9-4-5-9)33-21-15(29)13(27)14(28)16(32-21)20(30)31/h2-3,6-7,9,13-16,21,26-29H,4-5H2,1H3,(H,30,31)/t13-,14-,15+,16-,21?/m0/s1",GDAAYOYNGMRKSI,IQSUWLOCSA,N,3-Hydroxynevirapine glucuronide,GDAAYOYNGMRKSI-IQSUWLOCSA-N
HMDB60744,909.214588057,C29H50N7O18P3S,CCCC(C(O)CC)C(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C29H50N7O18P3S/c1-5-7-16(17(37)6-2)28(42)58-11-10-31-19(38)8-9-32-26(41)23(40)29(3,4)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)36-15-35-20-24(30)33-14-34-25(20)36/h14-18,21-23,27,37,39-40H,5-13H2,1-4H3,(H,31,38)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t16?,17?,18-,21-,22-,23+,27-/m0/s1",TWESTLCGODTUDY,QMFOSKLRSA,N,3-Hydroxyvalproic acid CoA,TWESTLCGODTUDY-QMFOSKLRSA-N
HMDB60745,530.324353826,C31H46O7,C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\C(O)=O)C(=O)CC=C(C)C,"InChI=1S/C31H46O7/c1-16(2)8-9-22(34)26(28(36)37)25-20-14-23(35)27-29(5)12-11-21(33)17(3)19(29)10-13-30(27,6)31(20,7)15-24(25)38-18(4)32/h8,17,19-21,23-24,27,33,35H,9-15H2,1-7H3,(H,36,37)/b26-25-/t17-,19-,20-,21+,23+,24-,27-,29-,30-,31-/m0/s1",LOVQKVDREFGPKC,COCAZOITSA,N,3-keto Fusidic acid,LOVQKVDREFGPKC-COCAZOITSA-N
HMDB60746,388.224974134,C23H32O5,C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3CC(=O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1,"InChI=1S/C23H32O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14,16-19,25,27H,3-8,10-12H2,1-2H3/t14-,16-,17-,18+,19-,21+,22+,23+/m1/s1",POWMMMXVDBMFMP,QPMAGJLNSA,N,3-keto-Digoxigenin,POWMMMXVDBMFMP-QPMAGJLNSA-N
HMDB60747,211.084457909,C10H13NO4,COC1=C(O)C=CC(C[C@H](N)C(O)=O)=C1,"InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1",PFDUUKDQEHURQC,ZETCQYMHSA,N,3-O-Methyl-a-methyldopa,PFDUUKDQEHURQC-ZETCQYMHSA-N
HMDB60748,181.110278729,C10H15NO2,COC1=C(O)C=CC(CC(C)N)=C1,"InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6-7,12H,5,11H2,1-2H3",GPBOYXOSSQEJBH,UHFFFAOYSA,N,3-O-Methyl-a-methyldopamine,GPBOYXOSSQEJBH-UHFFFAOYSA-N
HMDB60749,907.198937993,C29H48N7O18P3S,CCCC(C(=O)CC)C(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C29H48N7O18P3S/c1-5-7-16(17(37)6-2)28(42)58-11-10-31-19(38)8-9-32-26(41)23(40)29(3,4)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)36-15-35-20-24(30)33-14-34-25(20)36/h14-16,18,21-23,27,39-40H,5-13H2,1-4H3,(H,31,38)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t16?,18-,21-,22-,23+,27-/m0/s1",VCAXZLZSBCJOHE,BFIONIOXSA,N,3-oxo-Valproic acid CoA,VCAXZLZSBCJOHE-BFIONIOXSA-N
HMDB60750,241.106255983,C10H15N3O4,CC1=CN(C2CC(N)C(CO)O2)C(=O)N=C1O,"InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)",ADVCGXWUUOVPPB,UHFFFAOYSA,N,3'-Amino-3'-deoxythimidine,ADVCGXWUUOVPPB-UHFFFAOYSA-N
HMDB60751,417.138343971,C16H23N3O10,CC1=CN(C2CC(N)C(CO[C@@H]3[C@@H](O)C(O)O[C@@H]([C@H]3O)C(O)=O)O2)C(=O)N=C1O,"InChI=1S/C16H23N3O10/c1-5-3-19(16(26)18-13(5)22)8-2-6(17)7(28-8)4-27-11-9(20)12(14(23)24)29-15(25)10(11)21/h3,6-12,15,20-21,25H,2,4,17H2,1H3,(H,23,24)(H,18,22,26)/t6?,7?,8?,9-,10+,11-,12-,15?/m0/s1",RDVUSEMLHAXQRK,SMNQMHOSSA,N,3'-Amino-3'-deoxythimidine glucuronide,RDVUSEMLHAXQRK-SMNQMHOSSA-N
HMDB60752,443.128841917,C16H21N5O10,CC1=CN(C2CC(N=[N+]=[N-])[C@@H](COC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)O2)C(=O)N=C1O,"InChI=1S/C16H21N5O10/c1-5-3-21(16(28)18-13(5)25)8-2-6(19-20-17)7(30-8)4-29-15-11(24)9(22)10(23)12(31-15)14(26)27/h3,6-12,15,22-24H,2,4H2,1H3,(H,26,27)(H,18,25,28)/t6?,7-,8?,9+,10+,11-,12+,15?/m1/s1",NFXAJWJJNLWLOV,OTQDERTISA,N,3'-Azido-3'-deoxy-5'- O-beta-D-glucopyranuronosylthymidine,NFXAJWJJNLWLOV-OTQDERTISA-N
HMDB60753,869.325869967,C47H51NO15,CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](N=C(O)C1=CC=CC=C1)C1=CC=C(O)C=C1,"InChI=1S/C47H51NO15/c1-24-31(61-43(57)36(53)35(27-17-19-30(51)20-18-27)48-41(55)28-13-9-7-10-14-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)50)39(54)37(60-25(2)49)34(24)44(47,4)5/h7-20,31-33,35-38,40,51-53,58H,21-23H2,1-6H3,(H,48,55)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1",XKSMHFPSILYEIA,MZXODVADSA,N,3'-p-Hydroxypaclitaxel,XKSMHFPSILYEIA-MZXODVADSA-N
HMDB60754,862.436423468,C46H62N4O12,CO[C@H]1\C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(N=C(O)\C(C)=C/C=C\[C@H](CO)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC(C)C)CC3)N=C21,"InChI=1S/C46H62N4O12/c1-22(2)20-50-17-15-46(16-18-50)48-34-31-32-39(55)27(7)42-33(31)43(57)45(9,62-42)60-19-14-30(59-10)24(4)41(61-28(8)52)26(6)37(53)25(5)38(54)29(21-51)13-11-12-23(3)44(58)47-36(40(32)56)35(34)49-46/h11-14,19,22,24-26,29-30,37-38,41,49,51,53-55H,15-18,20-21H2,1-10H3,(H,47,58)/b13-11-,19-14-,23-12-/t24-,25+,26-,29-,30+,37-,38-,41-,45+/m1/s1",PANFHCPHSZTZMK,AWARHZTMSA,N,31-Hydroxy rifabutin,PANFHCPHSZTZMK-AWARHZTMSA-N
HMDB60755,326.224580204,C22H30O2,CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,"InChI=1S/C22H30O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,16-20,23-24H,3-4,6-11,13H2,1H3/t16-,17-,18-,19-,20+,21-,22-/m0/s1",ZMLDTNLDYRJTAZ,GDLCRWSOSA,N,3a-Hydroxydesogestrel,ZMLDTNLDYRJTAZ-GDLCRWSOSA-N
HMDB60756,326.224580204,C22H30O2,CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,"InChI=1S/C22H30O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,16-20,23-24H,3-4,6-11,13H2,1H3/t16-,17-,18-,19-,20+,21-,22-/m0/s1",ZMLDTNLDYRJTAZ,GDLCRWSOSA,N,3b-Hydroxydesogestrel,ZMLDTNLDYRJTAZ-GDLCRWSOSA-N
HMDB60757,208.08479226,C10H12N2O3,NC1=CC=C(C=C1)C(=O)NCCC(O)=O,"InChI=1S/C10H12N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)",VHAXWROFYVPXMZ,UHFFFAOYSA,N,4-Aminobenzoyl-(beta)-alanine,VHAXWROFYVPXMZ-UHFFFAOYSA-N
HMDB60758,193.073893223,C10H11NO3,OC(=O)CCC(O)=NC1=CC=CC=C1,"InChI=1S/C10H11NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)",KTFGFGGLCMGYTP,UHFFFAOYSA,N,4-Anilino-4-oxobutanoic acid,KTFGFGGLCMGYTP-UHFFFAOYSA-N
HMDB60759,296.09094027,C15H12N4O3,OC(=O)C1=CC=NC2=C1NC(=O)C1=CC=CN=C1N2C1CC1,"InChI=1S/C15H12N4O3/c20-14-10-2-1-6-16-12(10)19(8-3-4-8)13-11(18-14)9(15(21)22)5-7-17-13/h1-2,5-8H,3-4H2,(H,18,20)(H,21,22)",WDXCMIDQWGYHIN,UHFFFAOYSA,N,4-Carboxynevirapine,WDXCMIDQWGYHIN-UHFFFAOYSA-N
HMDB60760,112.027277382,C4H4N2O2,OC(=O)C1=CNN=C1,"InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)",IMBBXSASDSZJSX,UHFFFAOYSA,N,4-Carboxypyrazole,IMBBXSASDSZJSX-UHFFFAOYSA-N
HMDB60761,249.981505119,C7H7ClN2O4S,NC1=CC(Cl)=C(C=C1C(O)=O)S(N)(=O)=O,"InChI=1S/C7H7ClN2O4S/c8-4-2-5(9)3(7(11)12)1-6(4)15(10,13)14/h1-2H,9H2,(H,11,12)(H2,10,13,14)",QQLJBZFXGDHSRU,UHFFFAOYSA,N,4-Chloro-5-sulfamoylanthranilic acid,QQLJBZFXGDHSRU-UHFFFAOYSA-N
HMDB60762,891.204023371,C29H48N7O17P3S,CCCC(CC=C)C(=O)SCCN=C(O)CCN=C(O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C29H48N7O17P3S/c1-5-7-17(8-6-2)28(41)57-12-11-31-19(37)9-10-32-26(40)23(39)29(3,4)14-50-56(47,48)53-55(45,46)49-13-18-22(52-54(42,43)44)21(38)27(51-18)36-16-35-20-24(30)33-15-34-25(20)36/h5,15-18,21-23,27,38-39H,1,6-14H2,2-4H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17?,18-,21-,22-,23+,27-/m0/s1",HORDCJWSBOZWQO,ZQSWRQROSA,N,4-ene-Valproic acid CoA,HORDCJWSBOZWQO-ZQSWRQROSA-N
HMDB60763,489.145737535,C24H27NO8S,CNCC[C@H](OC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C2=CC=CC=C12)C1=CC=CS1,"InChI=1S/C24H27NO8S/c1-25-11-10-17(18-7-4-12-34-18)31-15-8-9-16(14-6-3-2-5-13(14)15)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1",OBIZFSZXDHWUJZ,ANUWOGMRSA,N,4-Hydroxy duloxetine glucuronide,OBIZFSZXDHWUJZ-ANUWOGMRSA-N
HMDB60764,310.062138701,C16H11ClN4O,OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N2C=NN=C12,"InChI=1S/C16H11ClN4O/c17-11-6-7-13-12(8-11)14(10-4-2-1-3-5-10)19-16(22)15-20-18-9-21(13)15/h1-9,16,22H",LJIJJCXFWLORDQ,UHFFFAOYSA,N,4-Hydroxy-estazolam,LJIJJCXFWLORDQ-UHFFFAOYSA-N
HMDB60765,151.099714043,C9H13NO,CC(N)CC1=CC=C(O)C=C1,"InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3",GIKNHHRFLCDOEU,UHFFFAOYSA,N,4-Hydroxyamphetamine,GIKNHHRFLCDOEU-UHFFFAOYSA-N
HMDB60766,271.157228921,C17H21NO2,CNCC[C@@H](OC1=CC=C(O)C=C1C)C1=CC=CC=C1,"InChI=1S/C17H21NO2/c1-13-12-15(19)8-9-16(13)20-17(10-11-18-2)14-6-4-3-5-7-14/h3-9,12,17-19H,10-11H2,1-2H3/t17-/m1/s1",PPXQPRLGNSJNJM,QGZVFWFLSA,N,4-Hydroxyatomoxetine,PPXQPRLGNSJNJM-QGZVFWFLSA-N
HMDB60767,165.115364107,C10H15NO,CNC(C)CC1=CC=C(O)C=C1,"InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3",SBUQZKJEOOQSBV,UHFFFAOYSA,N,4-Hydroxymethamphetamine,SBUQZKJEOOQSBV-UHFFFAOYSA-N
HMDB60768,98.048012824,C4H6N2O,OCC1=CNN=C1,"InChI=1S/C4H6N2O/c7-3-4-1-5-6-2-4/h1-2,7H,3H2,(H,5,6)",JRMKJOOJKCAEJK,UHFFFAOYSA,N,4-Hydroxymethylpyrazole,JRMKJOOJKCAEJK-UHFFFAOYSA-N
HMDB60769,444.116880248,C21H20N2O9,O[C@@H]1[C@@H](O)C(OC2=CC=C(C=C2)C2(NC(=O)NC2=O)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C21H20N2O9/c24-13-14(25)16(17(27)28)32-18(15(13)26)31-12-8-6-11(7-9-12)21(10-4-2-1-3-5-10)19(29)22-20(30)23-21/h1-9,13-16,18,24-26H,(H,27,28)(H2,22,23,29,30)/t13-,14-,15+,16-,18?,21?/m0/s1",RCYKZSJKDMUDIE,MXYJCWFVSA,N,4-Hydroxyphenytoin glucuronide,RCYKZSJKDMUDIE-MXYJCWFVSA-N
HMDB60770,353.046628443,C16H13ClFNO5,CC1=CC(CC(O)=O)=C(NC2=C(F)C(C(O)=O)=C(O)C=C2Cl)C=C1,"InChI=1S/C16H13ClFNO5/c1-7-2-3-10(8(4-7)5-12(21)22)19-15-9(17)6-11(20)13(14(15)18)16(23)24/h2-4,6,19-20H,5H2,1H3,(H,21,22)(H,23,24)",QQKNIFQTDAHPAP,UHFFFAOYSA,N,4'-Hydroxy-5-carboxy-lumiracoxib,QQKNIFQTDAHPAP-UHFFFAOYSA-N
HMDB60771,316.061469999,C16H13ClN2O3,CN1C2=C(C=C(Cl)C=C2)N(C2=CC=C(O)C=C2)C(=O)CC1=O,"InChI=1S/C16H13ClN2O3/c1-18-13-7-2-10(17)8-14(13)19(16(22)9-15(18)21)11-3-5-12(20)6-4-11/h2-8,20H,9H2,1H3",NKSXJAYACJZMBM,UHFFFAOYSA,N,4'-Hydroxyclobazam,NKSXJAYACJZMBM-UHFFFAOYSA-N
HMDB60772,434.121296924,C21H22O10,CC(C(O)=O)C1=CC(OC2=CC=C(O[C@@H]3[C@@H](O)C(O)O[C@@H]([C@H]3O)C(O)=O)C=C2)=CC=C1,"InChI=1S/C21H22O10/c1-10(19(24)25)11-3-2-4-14(9-11)29-12-5-7-13(8-6-12)30-17-15(22)18(20(26)27)31-21(28)16(17)23/h2-10,15-18,21-23,28H,1H3,(H,24,25)(H,26,27)/t10?,15-,16+,17-,18-,21?/m0/s1",FPPVBAMKHUAIOP,OYQCQVHHSA,N,4'-Hydroxyfenoprofen glucuronide,FPPVBAMKHUAIOP-OYQCQVHHSA-N
HMDB60773,422.184171952,C24H26N2O5,COC1=CC(O)=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2,"InChI=1S/C24H26N2O5/c1-29-23-13-16(27)9-10-21(23)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3",ZCJHEORDHXCJNB,UHFFFAOYSA,N,4'-Hydroxyphenyl Carvedilol,ZCJHEORDHXCJNB-UHFFFAOYSA-N
HMDB60774,272.064450748,C10H12N2O7,OC[C@H]1O[C@@H](C[C@@H]1O)N1C=C(C(O)=O)C(O)=NC1=O,"InChI=1S/C10H12N2O7/c13-3-6-5(14)1-7(19-6)12-2-4(9(16)17)8(15)11-10(12)18/h2,5-7,13-14H,1,3H2,(H,16,17)(H,11,15,18)/t5-,6+,7-/m0/s1",GAGYTXTVUMXAOC,XVMARJQXSA,N,5-Carboxy-2'-deoxyuridine,GAGYTXTVUMXAOC-XVMARJQXSA-N
HMDB60775,337.051713821,C16H13ClFNO4,CC1=CC(CC(O)=O)=C(NC2=C(Cl)C=CC(C(O)=O)=C2F)C=C1,"InChI=1S/C16H13ClFNO4/c1-8-2-5-12(9(6-8)7-13(20)21)19-15-11(17)4-3-10(14(15)18)16(22)23/h2-6,19H,7H2,1H3,(H,20,21)(H,22,23)",DAMRUBXLPVLGQF,UHFFFAOYSA,N,5-Carboxy-lumiracoxib,DAMRUBXLPVLGQF-UHFFFAOYSA-N
HMDB60776,330.060034072,C14H10N4O6,OC1N(\N=C\C2=CC=C(O2)C2=CC=C(C=C2)N(=O)=O)C(=O)N=C1O,"InChI=1S/C14H10N4O6/c19-12-13(20)17(14(21)16-12)15-7-10-5-6-11(24-10)8-1-3-9(4-2-8)18(22)23/h1-7,13,20H,(H,16,19,21)/b15-7+",PGORTQZSSAZLCK,VIZOYTHASA,N,5-Hydroxydantrolene,PGORTQZSSAZLCK-VIZOYTHASA-N
HMDB60777,318.205576096,C17H26N4O2,CCOCCN1C(=NC2=C1C=CC(O)=C2)N1CCCN(C)CC1,"InChI=1S/C17H26N4O2/c1-3-23-12-11-21-16-6-5-14(22)13-15(16)18-17(21)20-8-4-7-19(2)9-10-20/h5-6,13,22H,3-4,7-12H2,1-2H3",JNLXTCQXMDMAOC,UHFFFAOYSA,N,5-Hydroxyemedastine,JNLXTCQXMDMAOC-UHFFFAOYSA-N
HMDB60778,211.076391782,C11H14ClNO,C[C@H]1CNCC(O)C2=CC=C(Cl)C=C12,"InChI=1S/C11H14ClNO/c1-7-5-13-6-11(14)9-3-2-8(12)4-10(7)9/h2-4,7,11,13-14H,5-6H2,1H3/t7-,11?/m0/s1",QXIVXWARMBDNCW,RGENBBCFSA,N,5-Hydroxylorcaserin,QXIVXWARMBDNCW-RGENBBCFSA-N
HMDB60779,381.008926479,C14H11N3O6S2,CN1C(C(O)=NC2=NC=C(S2)C(O)=O)=C(O)C2=CC=CC=C2S1(=O)=O,"InChI=1S/C14H11N3O6S2/c1-17-10(12(19)16-14-15-6-8(24-14)13(20)21)11(18)7-4-2-3-5-9(7)25(17,22)23/h2-6,18H,1H3,(H,20,21)(H,15,16,19)",MTQQFYLGAZXHTB,UHFFFAOYSA,N,5'-Carboxy meloxicam,MTQQFYLGAZXHTB-UHFFFAOYSA-N
HMDB60780,367.029661921,C14H13N3O5S2,CN1C(C(O)=NC2=NC=C(CO)S2)=C(O)C2=CC=CC=C2S1(=O)=O,"InChI=1S/C14H13N3O5S2/c1-17-11(13(20)16-14-15-6-8(7-18)23-14)12(19)9-4-2-3-5-10(9)24(17,21)22/h2-6,18-19H,7H2,1H3,(H,15,16,20)",LOOSAJMIEADILV,UHFFFAOYSA,N,5'-Hydroxymethyl meloxicam,LOOSAJMIEADILV-UHFFFAOYSA-N
HMDB60781,521.011395223,C11H18N5O13P3,NC1=NC2=C(N=CN2C2OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C2O)C(=C)N1,"InChI=1S/C11H18N5O13P3/c1-4-6-9(15-11(12)14-4)16(3-13-6)10-8(18)7(17)5(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5,7-8,10,17-18H,1-2H2,(H,22,23)(H,24,25)(H3,12,14,15)(H2,19,20,21)",RDAWPERAONRJLU,UHFFFAOYSA,N,6-Thioguanosine-5'- O- triphosphate,RDAWPERAONRJLU-UHFFFAOYSA-N
HMDB60782,296.152477894,C18H20N2O2,OC(=O)C1C[C@@H]2[C@H](CC3=CNC4=CC=CC2=C34)N(CC=C)C1,"InChI=1S/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12?,14-,16-/m0/s1",YAICYXFUKKMAKO,DBQWNMKUSA,N,6-allyl-8b-Carboxy-ergoline,YAICYXFUKKMAKO-DBQWNMKUSA-N
HMDB60783,536.136858728,C27H30Cl2O7,C[C@@H]1C[C@H]2[C@@H]3C(O)CC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1=CC=CO1)C(=O)CCl,"InChI=1S/C27H30Cl2O7/c1-14-9-17-22-18(31)11-15-10-16(30)6-7-24(15,2)26(22,29)20(32)12-25(17,3)27(14,21(33)13-28)36-23(34)19-5-4-8-35-19/h4-8,10,14,17-18,20,22,31-32H,9,11-13H2,1-3H3/t14-,17+,18?,20+,22-,24+,25+,26-,27+/m1/s1",NVZADOUZVHKHSK,PWHXNIGKSA,N,6-beta-Hydroxy-mometasone furoate,NVZADOUZVHKHSK-PWHXNIGKSA-N
HMDB60784,343.178358293,C20H25NO4,OC1CCC2(O)C3CC4=C5C(OC1C25CCN3CC1CC1)=C(O)C=C4,"InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2",JLVNEHKORQFVQJ,UHFFFAOYSA,N,6-beta-Naltrexol,JLVNEHKORQFVQJ-UHFFFAOYSA-N
HMDB60785,318.205576096,C17H26N4O2,CCOCCN1C(=NC2=C1C=C(O)C=C2)N1CCCN(C)CC1,"InChI=1S/C17H26N4O2/c1-3-23-12-11-21-16-13-14(22)5-6-15(16)18-17(21)20-8-4-7-19(2)9-10-20/h5-6,13,22H,3-4,7-12H2,1-2H3",YDYQGSLFCJVMNN,UHFFFAOYSA,N,6-Hydroxyemedastine,YDYQGSLFCJVMNN-UHFFFAOYSA-N
HMDB60786,424.148180376,C19H24N2O9,COC1=CC2=C(NC=C2CCNC(C)=O)C=C1OC1OC(C(O)C(O)C1O)C(O)=O,"InChI=1S/C19H24N2O9/c1-8(22)20-4-3-9-7-21-11-6-13(12(28-2)5-10(9)11)29-19-16(25)14(23)15(24)17(30-19)18(26)27/h5-7,14-17,19,21,23-25H,3-4H2,1-2H3,(H,20,22)(H,26,27)",BIRHYNBRXCOXLU,UHFFFAOYSA,N,6-Hydroxymelatonin glucuronide,BIRHYNBRXCOXLU-UHFFFAOYSA-N
HMDB60787,711.231575653,C39H37NO12,COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(N)C(O)C(C)O4)C3=C1O)C(=O)COC(=O)CC1=CC=CC3=CC=CC=C13)C2=O,"InChI=1S/C39H37NO12/c1-18-34(43)24(40)14-29(51-18)52-26-16-39(48,27(41)17-50-28(42)13-20-9-5-8-19-7-3-4-10-21(19)20)15-23-31(26)38(47)33-32(36(23)45)35(44)22-11-6-12-25(49-2)30(22)37(33)46/h3-12,18,24,26,29,34,43,45,47-48H,13-17,40H2,1-2H3/t18?,24?,26-,29?,34?,39-/m0/s1",GYCQOHQXGJAWAC,XFZKEZEPSA,N,6-Methoxy-2-naphthylacetic acid,GYCQOHQXGJAWAC-XFZKEZEPSA-N
HMDB60788,306.110338308,C16H18O6,CC(CCC(O)=O)=CCC1=C(O)C(C)=C2COC(=O)C2=C1O,"InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)",MHSRNZSBNXFMLF,UHFFFAOYSA,N,6-O-Desmethyl-mycophenolic acid,MHSRNZSBNXFMLF-UHFFFAOYSA-N
HMDB60789,379.035155029,C10H14N5O7PS,NC1=NC(=S)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1",BPZXYEUJBFHASJ,UUOKFMHZSA,N,6-Thioguanylic acid,BPZXYEUJBFHASJ-UUOKFMHZSA-N
HMDB60790,523.956916812,C10H15N4O13P3S,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2S,"InChI=1S/C10H15N4O13P3S/c15-6-4(1-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)31/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,22,23)(H,11,12,31)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1",GQNRDWAOABGWGP,KQYNXXCUSA,N,6-Thioinosine triphosphate,GQNRDWAOABGWGP-KQYNXXCUSA-N
HMDB60791,284.057925582,C10H12N4O4S,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2S,"InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1",NKGPJODWTZCHGF,KQYNXXCUSA,N,6-Thioinosinic acid,NKGPJODWTZCHGF-KQYNXXCUSA-N
HMDB60792,380.019170614,C10H13N4O8PS,OC([C@H]1O[C@H](C(O)C1O)N1C=NC2=C1N=C(O)N=C2S)P(O)(O)=O,"InChI=1S/C10H13N4O8PS/c15-3-4(16)8(22-5(3)9(17)23(19,20)21)14-1-11-2-6(14)12-10(18)13-7(2)24/h1,3-5,8-9,15-17H,(H2,19,20,21)(H2,12,13,18,24)/t3?,4?,5-,8+,9?/m0/s1",GRTRLPZIJODDLV,BQGLTYQTSA,N,6-Thioxanthylic acid,GRTRLPZIJODDLV-BQGLTYQTSA-N
HMDB60793,270.991531897,C10H7Cl2N3O2,OC1N2CC3=C(Cl)C(Cl)=CC=C3N=C2NC1=O,"InChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-15-9(17)8(16)14-10(15)13-6/h1-2,9,17H,3H2,(H,13,14,16)",KAXTUTDKZVOONF,UHFFFAOYSA,N,"6,7-Dichloro-3-hydroxy-1,5 dihydro-imidazo[2,1-b]quinazolin-2-one",KAXTUTDKZVOONF-UHFFFAOYSA-N
HMDB60794,875.345998995,C47H51NO15,CC(=O)OC1C2=C(C)C(CC(O)(C(OC(=O)[13C]3=[13CH][13CH]=[13CH][13CH]=[13CH]3)C3C4(COC4C(O)C(O)C3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)C(O)C(N=C(O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60-25(2)49)31(24)44(47,4)5)37(53)34(52)39-46(36,23-59-39)63-26(3)50/h7-21,30,32-37,39-40,51-53,58H,22-23H2,1-6H3,(H,48,55)/i9+1,14+1,15+1,20+1,21+1,29+1",NDCWHEDPSFRTDA,VEHVCKHKSA,N,6a-Hydrox-ypaclitaxel,NDCWHEDPSFRTDA-VEHVCKHKSA-N
HMDB60795,889.279313705,C45H47NO18,CC(=O)OC1C2=C(C)C(CC(O)(C(OC(=O)C3=CC=CC=C3)C3C4(COC4C(O)C(O)C3(C)C1=O)OC(C)=O)C2(O)O)OC(=O)C(O)C(NC(=O)C1=CC=CC=C1)C1=CC=C(O)C=C1,"InChI=1S/C45H47NO18/c1-21-28(62-41(56)31(50)30(24-15-17-27(49)18-16-24)46-39(54)25-11-7-5-8-12-25)19-44(57)38(63-40(55)26-13-9-6-10-14-26)34-42(4,36(53)33(61-22(2)47)29(21)45(44,58)59)35(52)32(51)37-43(34,20-60-37)64-23(3)48/h5-18,28,30-35,37-38,49-52,57-59H,19-20H2,1-4H3,(H,46,54)",VCMRTKHRFJRAJE,UHFFFAOYSA,N,"6a, 3'-p-Dihydroxypaclitaxel",VCMRTKHRFJRAJE-UHFFFAOYSA-N
HMDB60796,287.152143543,C17H21NO3,CN1CCC23C4OC5=C(O)C=CC(CC1C2CC[C@@H]4O)=C35,"InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11?,13-,16?,17?/m0/s1",IJVCSMSMFSCRME,LIBMUZAMSA,N,6alpha-Hydroxy-hydromorphone,IJVCSMSMFSCRME-LIBMUZAMSA-N
HMDB60797,466.216695166,C25H32F2O6,CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1S/C25H32F2O6/c1-4-5-21(32)33-24(20(31)13-28)9-7-15-16-11-18(26)17-10-14(29)6-8-22(17,2)25(16,27)19(30)12-23(15,24)3/h6,8,10,15-16,18-19,28,30H,4-5,7,9,11-13H2,1-3H3/t15-,16-,18-,19-,22-,23-,24-,25-/m0/s1",BQEJAAIPKDQEPV,MXHGPKCJSA,N,"6alpha,9alpha-Difluoroprednisolone-17-butyrate",BQEJAAIPKDQEPV-MXHGPKCJSA-N
HMDB60798,287.152143543,C17H21NO3,CN1CCC23C4OC5=C(O)C=CC(CC1C2CC[C@H]4O)=C35,"InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11?,13-,16?,17?/m1/s1",IJVCSMSMFSCRME,GALYBCADSA,N,6beta-Hydroxy-hydromorphone,IJVCSMSMFSCRME-GALYBCADSA-N
HMDB60799,329.093104478,C17H16ClN3O2,OC1=CC2=C(C=C1)N=C(N1CCNCC1)C1=C(O2)C=CC(Cl)=C1,"InChI=1S/C17H16ClN3O2/c18-11-1-4-15-13(9-11)17(21-7-5-19-6-8-21)20-14-3-2-12(22)10-16(14)23-15/h1-4,9-10,19,22H,5-8H2",MEUGUMOVYNSGEW,UHFFFAOYSA,N,7-Hydroxyamoxapine,MEUGUMOVYNSGEW-UHFFFAOYSA-N
HMDB60800,211.076391782,C11H14ClNO,C[C@H]1CNCCC2=CC(O)=C(Cl)C=C12,"InChI=1S/C11H14ClNO/c1-7-6-13-3-2-8-4-11(14)10(12)5-9(7)8/h4-5,7,13-14H,2-3,6H2,1H3/t7-/m0/s1",FGSDIPMZGFNZOC,ZETCQYMHSA,N,7-Hydroxylorcaserin,FGSDIPMZGFNZOC-ZETCQYMHSA-N
HMDB60801,329.093104478,C17H16ClN3O2,OC1=CC2=C(OC3=C(C=C(Cl)C=C3)C(=N2)N2CCNCC2)C=C1,"InChI=1S/C17H16ClN3O2/c18-11-1-3-15-13(9-11)17(21-7-5-19-6-8-21)20-14-10-12(22)2-4-16(14)23-15/h1-4,9-10,19,22H,5-8H2",QDWNOKXUZTYVGO,UHFFFAOYSA,N,8-Hydroxyamoxapine,QDWNOKXUZTYVGO-UHFFFAOYSA-N
HMDB60802,330.149891075,C19H23ClN2O,CN(C)CCCN1C2=CC=C(O)C=C2CCC2=CC=C(Cl)C=C12,"InChI=1S/C19H23ClN2O/c1-21(2)10-3-11-22-18-9-8-17(23)12-15(18)5-4-14-6-7-16(20)13-19(14)22/h6-9,12-13,23H,3-5,10-11H2,1-2H3",PVKACZKLKCTAHR,UHFFFAOYSA,N,8-Hydroxyclomipramine,PVKACZKLKCTAHR-UHFFFAOYSA-N
HMDB60803,316.134241011,C18H21ClN2O,CNCCCN1C2=CC=C(O)C=C2CCC2=CC=C(Cl)C=C12,"InChI=1S/C18H21ClN2O/c1-20-9-2-10-21-17-8-7-16(22)11-14(17)4-3-13-5-6-15(19)12-18(13)21/h5-8,11-12,20,22H,2-4,9-10H2,1H3",MRLCQGACIDFFSH,UHFFFAOYSA,N,8-Hydroxydesmethylclomipramine,MRLCQGACIDFFSH-UHFFFAOYSA-N
HMDB60804,183.021480497,C5H5N5OS,OC1=NC2=C(N1)NC(=N)N=C2S,"InChI=1S/C5H5N5OS/c6-4-8-2-1(3(12)10-4)7-5(11)9-2/h(H5,6,7,8,9,10,11,12)",TWLCFFLQLXBKAP,UHFFFAOYSA,N,8-Hydroxythioguanine,TWLCFFLQLXBKAP-UHFFFAOYSA-N
HMDB60805,239.065453801,C8H9N5O4,OC(=O)COCN1C=NC2=C1NC(=N)N=C2O,"InChI=1S/C8H9N5O4/c9-8-11-6-5(7(16)12-8)10-2-13(6)3-17-1-4(14)15/h2H,1,3H2,(H,14,15)(H3,9,11,12,16)",MICNQLKUSOVNNG,UHFFFAOYSA,N,9-Carboxymethoxymethylguanine,MICNQLKUSOVNNG-UHFFFAOYSA-N
HMDB60806,323.067487215,C11H17NO8S,COS(O)(=O)=O.C[C@](N)(CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C10H13NO4.CH4O4S/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;1-5-6(2,3)4/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H3,(H,2,3,4)/t10-;/m0./s1",ILGWOGRLWBHRFL,PPHPATTJSA,N,a-Methyldopa mono-O-sulfate,ILGWOGRLWBHRFL-PPHPATTJSA-N
HMDB60807,167.094628665,C9H13NO2,CC(N)CC1=CC(O)=C(O)C=C1,"InChI=1S/C9H13NO2/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5-6,11-12H,4,10H2,1H3",KSRGADMGIRTXAF,UHFFFAOYSA,N,a-Methyldopamine,KSRGADMGIRTXAF-UHFFFAOYSA-N
HMDB60808,563.251917165,C32H37NO8,CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1=CC=CC=C1,"InChI=1S/C32H37NO8/c1-3-25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)39-19-18-33(2)20-40-32-29(36)27(34)28(35)30(41-32)31(37)38/h4-17,27-30,32,34-36H,3,18-20H2,1-2H3,(H,37,38)/b26-25-/t27-,28-,29+,30-,32+/m0/s1",WEHJOAAYUBXOCR,RVJUPFJYSA,N,Alpha-Hydroxy-tamoxifen-O-glucuronide,WEHJOAAYUBXOCR-RVJUPFJYSA-N
HMDB60809,473.217537765,C25H27N7O3,CC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=CC=CC=C3C(C)=N1)C(=O)N2C)N1CCCC(O)C1,"InChI=1S/C25H27N7O3/c1-4-5-13-31-21-22(28-24(31)30-12-8-9-17(33)14-30)29(3)25(35)32(23(21)34)15-20-26-16(2)18-10-6-7-11-19(18)27-20/h6-7,10-11,17,33H,8-9,12-15H2,1-3H3",QAHWUJQHJPWQGS,UHFFFAOYSA,N,CD 1790,QAHWUJQHJPWQGS-UHFFFAOYSA-N
HMDB60810,246.100442324,C13H14N2O3,COC1=CC2=C(NC3=C2CCN3C(C)=O)C=C1O,"InChI=1S/C13H14N2O3/c1-7(16)15-4-3-8-9-5-12(18-2)11(17)6-10(9)14-13(8)15/h5-6,14,17H,3-4H2,1-2H3",FQZIOEARFRBPDV,UHFFFAOYSA,N,cyclic 6-Hydroxymelatonin,FQZIOEARFRBPDV-UHFFFAOYSA-N
HMDB60811,230.105527702,C13H14N2O2,COC1=CC2=C(NC3=C2CCN3C(C)=O)C=C1,"InChI=1S/C13H14N2O2/c1-8(16)15-6-5-10-11-7-9(17-2)3-4-12(11)14-13(10)15/h3-4,7,14H,5-6H2,1-2H3",ZQJVLSOGSIIBCF,UHFFFAOYSA,N,cyclic Melatonin,ZQJVLSOGSIIBCF-UHFFFAOYSA-N
HMDB60812,392.121965626,C18H20N2O8,CC(=O)N1CCC2=C1NC1=C2C=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1,"InChI=1S/C18H20N2O8/c1-7(21)20-5-4-9-10-6-8(2-3-11(10)19-16(9)20)27-18-14(24)12(22)13(23)15(28-18)17(25)26/h2-3,6,12-15,18-19,22-24H,4-5H2,1H3,(H,25,26)",DHEUSGDHJNTOLK,UHFFFAOYSA,N,cyclic N-Acetylserotonin glucuronide,DHEUSGDHJNTOLK-UHFFFAOYSA-N
HMDB60813,208.121177766,C11H16N2O2,COC[C@@H](N)C(=O)NCC1=CC=CC=C1,"InChI=1S/C11H16N2O2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)/t10-/m1/s1",WPLANNRKFDHEKD,SNVBAGLBSA,N,Descarbonyl-lacosamide,WPLANNRKFDHEKD-SNVBAGLBSA-N
HMDB60814,678.430275458,C33H62N2O12,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)CC(C2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1S/C33H62N2O12/c1-12-24-33(8,41)28(38)20(4)25(34-44-17-43-14-13-42-11)18(2)16-32(7,40)29(21(5)26(36)22(6)30(39)46-24)47-31-27(37)23(35(9)10)15-19(3)45-31/h18-24,26-29,31,36-38,40-41H,12-17H2,1-11H3/b34-25+/t18-,19-,20+,21+,22-,23?,24-,26+,27?,28-,29-,31+,32-,33-/m1/s1",BNZRPTCUAOMSSH,LKPWEDHSSA,N,Descladinose roxithromycin,BNZRPTCUAOMSSH-LKPWEDHSSA-N
HMDB60815,245.152812245,C14H19N3O,C.N[C@@H]1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(O)=N,"InChI=1S/C13H15N3O.CH4/c14-8-2-4-12-10(6-8)9-5-7(13(15)17)1-3-11(9)16-12;/h1,3,5,8,16H,2,4,6,14H2,(H2,15,17);1H4/t8-;/m1./s1",FPYHQGKIVXULKF,DDWIOCJRSA,N,Desmethyl frovatriptan,FPYHQGKIVXULKF-DDWIOCJRSA-N
HMDB60816,251.131014171,C17H17NO,NCC\C=C1/C2=CC=CC=C2COC2=CC=CC=C12,"InChI=1S/C17H17NO/c18-11-5-9-15-14-7-2-1-6-13(14)12-19-17-10-4-3-8-16(15)17/h1-4,6-10H,5,11-12,18H2/b15-9+",HLUSHBJOSPBFOC,OQLLNIDSSA,N,Didesmethyl doxepin,HLUSHBJOSPBFOC-OQLLNIDSSA-N
HMDB60817,215.163376931,C10H21N3O2,CCN(CC)C(=O)N1CC[N+](C)([O-])CC1,"InChI=1S/C10H21N3O2/c1-4-11(5-2)10(14)12-6-8-13(3,15)9-7-12/h4-9H2,1-3H3",KAJAFGMERLXELG,UHFFFAOYSA,N,Diethylcarbamazine N-oxide,KAJAFGMERLXELG-UHFFFAOYSA-N
HMDB60818,650.36661257,C35H54O11,CC1OC(CC(O)C1O)OC1C(O)CC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(CCC43O)C3=CC(=O)OC3)C2)OC1C,"InChI=1S/C35H54O11/c1-17-31(40)25(36)14-30(43-17)46-32-18(2)44-29(15-26(32)37)45-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(38)34(4)22(8-10-35(23,34)41)19-11-28(39)42-16-19/h11,17-18,20-27,29-32,36-38,40-41H,5-10,12-16H2,1-4H3",NTSBMKIZRSBFTA,UHFFFAOYSA,N,Digoxigenin bisdigitoxoside,NTSBMKIZRSBFTA-UHFFFAOYSA-N
HMDB60819,520.303618384,C29H44O8,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1CC[C@@]2(C)[C@H](CCC3C2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1,"InChI=1S/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-6-8-27(2)17(11-18)4-5-20-21(27)12-23(31)28(3)19(7-9-29(20,28)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18+,19-,20?,21?,22+,23-,25+,26-,27+,28+,29+/m1/s1",JFSXBMIFXZFKHD,MXSQURSSSA,N,Digoxigenin monodigitoxoside,JFSXBMIFXZFKHD-MXSQURSSSA-N
HMDB60820,463.184231531,C23H29NO9,CN1CCC23C4OC5=C(OC6OC(C(O)C(O)C6O)C(O)=O)C=CC(CC1C2CC[C@H]4O)=C35,"InChI=1S/C23H29NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2,5,10-12,15-17,19-20,22,25-28H,3-4,6-8H2,1H3,(H,29,30)/t10?,11?,12-,15?,16?,17?,19?,20?,22?,23?/m1/s1",KCPRJVDBLLJBMF,LGPQXENESA,N,Dihydroisomorphine-3-glucuronide,KCPRJVDBLLJBMF-LGPQXENESA-N
HMDB60821,463.184231531,C23H29NO9,CN1CCC23C4OC5=C(OC6OC(C(O)C(O)C6O)C(O)=O)C=CC(CC1C2CC[C@@H]4O)=C35,"InChI=1S/C23H29NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2,5,10-12,15-17,19-20,22,25-28H,3-4,6-8H2,1H3,(H,29,30)/t10?,11?,12-,15?,16?,17?,19?,20?,22?,23?/m0/s1",KCPRJVDBLLJBMF,FGCSHAJGSA,N,Dihydromorphine-3-glucuronide,KCPRJVDBLLJBMF-FGCSHAJGSA-N
HMDB60822,545.189710839,C27H31NO11,COC1=CC=CC2=C1C([O-])C1=C(C2[O-])C(O)=C2CC(O)(CC(OC3CC(N)C(O)C(C)O3)C2=C1O)C(=O)CO,"InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22-23,25,29,31,33,35-36H,6-9,28H2,1-2H3/q-2",IYWNYPIEHPQZQA,UHFFFAOYSA,N,Doxorubicin-semiquinone,IYWNYPIEHPQZQA-UHFFFAOYSA-N
HMDB60823,545.189710839,C27H31NO11,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(CC3OC3CC(N)C(O)C(C)O3)C(O)CO)C(O)=C1C2=O,"InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3",NKZRZOVSJNSBFR,UHFFFAOYSA,N,Doxorubicinol aglycone,NKZRZOVSJNSBFR-UHFFFAOYSA-N
HMDB60824,461.168581467,C23H27NO9,CN1CCC23C4OC5=C(OC6OC(C(O)C(O)C6O)C(O)=O)C=CC(CC1C2CCC4=O)=C35,"InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2,5,10-11,15-17,19-20,22,26-28H,3-4,6-8H2,1H3,(H,29,30)",VLSHIBYUEOPPRX,UHFFFAOYSA,N,Hydromorphone-3-glucuronide,VLSHIBYUEOPPRX-UHFFFAOYSA-N
HMDB60825,365.093308035,C17H19NO6S,CN1CCC23C4OC5=C(OS(O)(=O)=O)C=CC(CC1C2CCC4=O)=C35,"InChI=1S/C17H19NO6S/c1-18-7-6-17-10-3-4-12(19)16(17)23-15-13(24-25(20,21)22)5-2-9(14(15)17)8-11(10)18/h2,5,10-11,16H,3-4,6-8H2,1H3,(H,20,21,22)",XXRHORKOBJFKDL,UHFFFAOYSA,N,Hydromorphone-3-sulphate,XXRHORKOBJFKDL-UHFFFAOYSA-N
HMDB60826,248.079706882,C12H12N2O4,CCN1C=C(C(O)=O)C(=O)C2=CC=C(CO)N=C12,"InChI=1S/C12H12N2O4/c1-2-14-5-9(12(17)18)10(16)8-4-3-7(6-15)13-11(8)14/h3-5,15H,2,6H2,1H3,(H,17,18)",FRJDYPGZHOEEKU,UHFFFAOYSA,N,Hydroxynalidixic acid,FRJDYPGZHOEEKU-UHFFFAOYSA-N
HMDB60827,219.083018121,C11H13N3S,C1CN(CCN1)C1=NSC2=C1C=CC=C2,"InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2",KRDOFMHJLWKXIU,UHFFFAOYSA,N,ID11614,KRDOFMHJLWKXIU-UHFFFAOYSA-N
HMDB60828,508.250811728,C28H36N4O3S,OC1C2CCC1C1C2C(=O)N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)C2=NSC3=C2C=CC=C3)C1=O,"InChI=1S/C28H36N4O3S/c33-25-20-9-10-21(25)24-23(20)27(34)32(28(24)35)16-18-6-2-1-5-17(18)15-30-11-13-31(14-12-30)26-19-7-3-4-8-22(19)36-29-26/h3-4,7-8,17-18,20-21,23-25,33H,1-2,5-6,9-16H2/t17-,18-,20?,21?,23?,24?,25?/m0/s1",VKVBDORNIIAKBR,UJKUZCFGSA,N,ID14326,VKVBDORNIIAKBR-UJKUZCFGSA-N
HMDB60829,428.143094998,C18H24N2O10,COC[C@@H](NC(=O)OC1OC(C(O)C(O)C1O)C(O)=O)C(=O)NCC1=CC=CC=C1,"InChI=1S/C18H24N2O10/c1-28-8-10(15(24)19-7-9-5-3-2-4-6-9)20-18(27)30-17-13(23)11(21)12(22)14(29-17)16(25)26/h2-6,10-14,17,21-23H,7-8H2,1H3,(H,19,24)(H,20,27)(H,25,26)/t10-,11?,12?,13?,14?,17?/m1/s1",RODXXFMSBBSTDC,JMABVSALSA,N,Lacosamide-glucuronide,RODXXFMSBBSTDC-JMABVSALSA-N
HMDB60830,408.153265754,C19H24N2O8,COC1=CC2=C(C=C1)N(C=C2CCNC(C)=O)C1OC(C(O)C(O)C1O)C(O)=O,"InChI=1S/C19H24N2O8/c1-9(22)20-6-5-10-8-21(13-4-3-11(28-2)7-12(10)13)18-16(25)14(23)15(24)17(29-18)19(26)27/h3-4,7-8,14-18,23-25H,5-6H2,1-2H3,(H,20,22)(H,26,27)",GXNGLFUTEZJKRQ,UHFFFAOYSA,N,Melatonin glucuronide,GXNGLFUTEZJKRQ-UHFFFAOYSA-N
HMDB60831,332.134777099,C15H19F3N2O3,OC1=CC=C(OCC(F)(F)F)C(=C1)C(=O)NCC1CCCCN1,"InChI=1S/C15H19F3N2O3/c16-15(17,18)9-23-13-5-4-11(21)7-12(13)14(22)20-8-10-3-1-2-6-19-10/h4-5,7,10,19,21H,1-3,6,8-9H2,(H,20,22)",FVJPPEWHZCSTAC,UHFFFAOYSA,N,meta-O-Dealkylated flecainide,FVJPPEWHZCSTAC-UHFFFAOYSA-N
HMDB60832,346.114041657,C15H17F3N2O4,OC1=CC=C(OCC(F)(F)F)C(=C1)C(=O)NCC1CCCC(=O)N1,"InChI=1S/C15H17F3N2O4/c16-15(17,18)8-24-12-5-4-10(21)6-11(12)14(23)19-7-9-2-1-3-13(22)20-9/h4-6,9,21H,1-3,7-8H2,(H,19,23)(H,20,22)",OIOMUGZSHNAEMH,UHFFFAOYSA,N,meta-O-Dealkylated flecainide lactam,OIOMUGZSHNAEMH-UHFFFAOYSA-N
HMDB60833,394.13761569,C18H22N2O8,CC(=O)NCCC1=CNC2=C1C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2,"InChI=1S/C18H22N2O8/c1-8(21)19-5-4-9-7-20-12-3-2-10(6-11(9)12)27-18-15(24)13(22)14(23)16(28-18)17(25)26/h2-3,6-7,13-16,18,20,22-24H,4-5H2,1H3,(H,19,21)(H,25,26)",DRKQFNYKSNWOTC,UHFFFAOYSA,N,N-Acetylserotonin glucuronide,DRKQFNYKSNWOTC-UHFFFAOYSA-N
HMDB60834,298.062342258,C12H14N2O5S,CC(=O)NCCC1=CNC2=C1C=C(OS(O)(=O)=O)C=C2,"InChI=1S/C12H14N2O5S/c1-8(15)13-5-4-9-7-14-12-3-2-10(6-11(9)12)19-20(16,17)18/h2-3,6-7,14H,4-5H2,1H3,(H,13,15)(H,16,17,18)",UCAJZNVFRVLULS,UHFFFAOYSA,N,N-Acetylserotonin sulfate,UCAJZNVFRVLULS-UHFFFAOYSA-N
HMDB60835,460.09101682,C21H22BrFN4O2,COC1=C(OCC2CCNCC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1,"InChI=1S/C21H22BrFN4O2/c1-28-19-9-15-18(10-20(19)29-11-13-4-6-24-7-5-13)25-12-26-21(15)27-17-3-2-14(22)8-16(17)23/h2-3,8-10,12-13,24H,4-7,11H2,1H3,(H,25,26,27)",HTCPERSEGREUFC,UHFFFAOYSA,N,N-Desmethyl vandetanib,HTCPERSEGREUFC-UHFFFAOYSA-N
HMDB60836,359.093976737,C17H17N3O4S,OC1=C(NCCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=CC=C1,"InChI=1S/C17H17N3O4S/c21-13-2-1-7-18-15(13)19-8-9-24-12-5-3-11(4-6-12)10-14-16(22)20-17(23)25-14/h1-7,14,21H,8-10H2,(H,18,19)(H,20,22,23)",GWVBGLUFILBNNY,UHFFFAOYSA,N,N-Desmethyl-O-hydroxy rosiglitazone,GWVBGLUFILBNNY-UHFFFAOYSA-N
HMDB60837,439.050791293,C17H17N3O7S2,OS(=O)(=O)OC1=C(NCCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=CC=C1,"InChI=1S/C17H17N3O7S2/c21-16-14(28-17(22)20-16)10-11-3-5-12(6-4-11)26-9-8-19-15-13(2-1-7-18-15)27-29(23,24)25/h1-7,14H,8-10H2,(H,18,19)(H,20,21,22)(H,23,24,25)",HOMPAUSQZJYDFA,UHFFFAOYSA,N,N-Desmethyl-o-O-sulfate rosiglitazone,HOMPAUSQZJYDFA-UHFFFAOYSA-N
HMDB60838,359.093976737,C17H17N3O4S,OC1=CC=C(NCCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C1,"InChI=1S/C17H17N3O4S/c21-12-3-6-15(19-10-12)18-7-8-24-13-4-1-11(2-5-13)9-14-16(22)20-17(23)25-14/h1-6,10,14,21H,7-9H2,(H,18,19)(H,20,22,23)",SVUUNTJZVPNZSL,UHFFFAOYSA,N,N-Desmethyl-p-hydroxyrosiglitazone,SVUUNTJZVPNZSL-UHFFFAOYSA-N
HMDB60839,439.050791293,C17H17N3O7S2,OS(=O)(=O)OC1=CC=C(NCCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C1,"InChI=1S/C17H17N3O7S2/c21-16-14(28-17(22)20-16)9-11-1-3-12(4-2-11)26-8-7-18-15-6-5-13(10-19-15)27-29(23,24)25/h1-6,10,14H,7-9H2,(H,18,19)(H,20,21,22)(H,23,24,25)",ULPCBLHRDLQTTD,UHFFFAOYSA,N,N-Desmethyl-p-O-sulfate rosiglitazone,ULPCBLHRDLQTTD-UHFFFAOYSA-N
HMDB60840,265.146664235,C18H19NO,CNCC\C=C1\C2=C(COC3=C1C=CC=C3)C=CC=C2,"InChI=1S/C18H19NO/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10-",HVKCEFHNSNZIHO,YBEGLDIGSA,N,N-Desmethyldoxepin,HVKCEFHNSNZIHO-YBEGLDIGSA-N
HMDB60841,273.118734925,C16H19NOS,OC1=CC=CC2=C1CCC(C2)NCCC1=CC=CS1,"InChI=1S/C16H19NOS/c18-16-5-1-3-12-11-13(6-7-15(12)16)17-9-8-14-4-2-10-19-14/h1-5,10,13,17-18H,6-9,11H2",RDMWWGLKUMLLTG,UHFFFAOYSA,N,N-Despropyl-rotigotine,RDMWWGLKUMLLTG-UHFFFAOYSA-N
HMDB60842,280.088163078,C13H16N2O3S,CNCCOC1=CC=C(CC2SC(=O)NC2=O)C=C1,"InChI=1S/C13H16N2O3S/c1-14-6-7-18-10-4-2-9(3-5-10)8-11-12(16)15-13(17)19-11/h2-5,11,14H,6-8H2,1H3,(H,15,16,17)",BPSKNLFJDYBECE,UHFFFAOYSA,N,N-Despyridinyl rosiglitazone,BPSKNLFJDYBECE-UHFFFAOYSA-N
HMDB60843,205.146664235,C13H19NO,CCCNC1CCC2=C(C1)C=CC=C2O,"InChI=1S/C13H19NO/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15/h3-5,11,14-15H,2,6-9H2,1H3",VCYPZWCFSAHTQT,UHFFFAOYSA,N,N-Desthienylethyl-rotigotine,VCYPZWCFSAHTQT-UHFFFAOYSA-N
HMDB60844,211.076391782,C11H14ClNO,C[C@H]1CN(O)CCC2=CC=C(Cl)C=C12,"InChI=1S/C11H14ClNO/c1-8-7-13(14)5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1",OBKJFJJRKLOMQV,QMMMGPOBSA,N,N-Hydroxylorcaserin,OBKJFJJRKLOMQV-QMMMGPOBSA-N
HMDB60845,808.493269644,C39H72N2O15,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2CC(OC)[C@@H](O)C(C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)CC(NC)C2O)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1S/C39H72N2O15/c1-13-28-39(9,47)34(44)22(4)30(41-51-19-50-15-14-48-11)20(2)18-38(8,46)35(56-37-32(43)26(40-10)16-21(3)52-37)23(5)33(24(6)36(45)54-28)55-29-17-27(49-12)31(42)25(7)53-29/h20-29,31-35,37,40,42-44,46-47H,13-19H2,1-12H3/b41-30+/t20-,21-,22+,23+,24-,25?,26?,27?,28-,29+,31+,32?,33+,34-,35-,37+,38-,39-/m1/s1",CNLGFVKNPSUQIW,AAQJIQLNSA,N,N-Monodemethyl roxithromycin,CNLGFVKNPSUQIW-AAQJIQLNSA-N
HMDB60846,323.152143543,C20H21NO3,CNCC\C=C1\C2=C(COC3=C1C=C(CC(O)=O)C=C3)C=CC=C2,"InChI=1S/C20H21NO3/c1-21-10-4-7-17-16-6-3-2-5-15(16)13-24-19-9-8-14(11-18(17)19)12-20(22)23/h2-3,5-9,11,21H,4,10,12-13H2,1H3,(H,22,23)/b17-7-",VQMJUHOJPCPUAM,IDUWFGFVSA,N,N-Monodemethylolopatadine,VQMJUHOJPCPUAM-IDUWFGFVSA-N
HMDB60847,285.158960255,C15H19N5O,CN(C)CCC1=CNC2=CC(O)=C(CN3C=NC=N3)C=C12,"InChI=1S/C15H19N5O/c1-19(2)4-3-11-7-17-14-6-15(21)12(5-13(11)14)8-20-10-16-9-18-20/h5-7,9-10,17,21H,3-4,8H2,1-2H3",YQPPJBHQJWSUTE,UHFFFAOYSA,N,N-Monodesmethyl-rizatriptan,YQPPJBHQJWSUTE-UHFFFAOYSA-N
HMDB60848,445.192293797,C24H31NO5S,CC12CCC3C(CC=C4CC(CCC34C)OS(O)(=O)=O)C1CC=C2C1=C[N+]([O-])=CC=C1,"InChI=1S/C24H31NO5S/c1-23-11-9-18(30-31(27,28)29)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25(26)15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3,(H,27,28,29)",AEEMBGRHVQPUBV,UHFFFAOYSA,N,N-Oxide abiraterone sulfate,AEEMBGRHVQPUBV-UHFFFAOYSA-N
HMDB60849,233.177964363,C15H23NO,COC1=CC=CC(=C1)[C@@]1(C)CCCC[C@@H]1CN,"InChI=1S/C15H23NO/c1-15(9-4-3-6-13(15)11-16)12-7-5-8-14(10-12)17-2/h5,7-8,10,13H,3-4,6,9,11,16H2,1-2H3/t13-,15-/m1/s1",ZEXALIOABWHLJM,UKRRQHHQSA,N,"N,N-Didesmethyltramadol",ZEXALIOABWHLJM-UKRRQHHQSA-N
HMDB60850,221.141578857,C13H19NO2,NC[C@H]1CCCC[C@]1(O)C1=CC(O)=CC=C1,"InChI=1S/C13H19NO2/c14-9-11-4-1-2-7-13(11,16)10-5-3-6-12(15)8-10/h3,5-6,8,11,15-16H,1-2,4,7,9,14H2/t11-,13+/m1/s1",MJTYLDGVLFSXDG,YPMHNXCESA,N,"N,N,O-Tridesmethyl-tramadol",MJTYLDGVLFSXDG-YPMHNXCESA-N
HMDB60851,235.157228921,C14H21NO2,CNC[C@H]1CCCC[C@]1(O)C1=CC(O)=CC=C1,"InChI=1S/C14H21NO2/c1-15-10-12-5-2-3-8-14(12,17)11-6-4-7-13(16)9-11/h4,6-7,9,12,15-17H,2-3,5,8,10H2,1H3/t12-,14+/m1/s1",CJXNQQLTDXASSR,OCCSQVGLSA,N,"N,O-Didesmethyltramadol",CJXNQQLTDXASSR-OCCSQVGLSA-N
HMDB60852,249.172878985,C15H23NO2,[H]N(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1,"InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3",MMSWXJSQCAEDLK,UHFFFAOYSA,N,"N,O-Didesmethylvenlafaxine",MMSWXJSQCAEDLK-UHFFFAOYSA-N
HMDB60853,346.088433678,C18H16ClFN2O2,COCCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F,"InChI=1S/C18H16ClFN2O2/c1-24-9-8-22-16-7-6-12(19)10-14(16)18(21-11-17(22)23)13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3",UBKVMFUMOAWHGB,UHFFFAOYSA,N,N1-(2-Hydroxyethyl)flurazepam,UBKVMFUMOAWHGB-UHFFFAOYSA-N
HMDB60854,287.152143543,C17H21NO3,CN1CCC23C4OC5=C(O)C=CC(CC1C2CC[C@H]4O)=C35,"InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11?,13-,16?,17?/m1/s1",IJVCSMSMFSCRME,GALYBCADSA,N,Nordihydroisomorphine,IJVCSMSMFSCRME-GALYBCADSA-N
HMDB60855,236.116092388,C12H16N2O3,CC(=O)N[C@H](CO)C(=O)NCC1=CC=CC=C1,"InChI=1S/C12H16N2O3/c1-9(16)14-11(8-15)12(17)13-7-10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3,(H,13,17)(H,14,16)/t11-/m1/s1",XRKSCJLQKGLSKU,LLVKDONJSA,N,O-Desmethyl-lacosamide,XRKSCJLQKGLSKU-LLVKDONJSA-N
HMDB60856,425.204966973,C21H31NO8,CN(C)CC1CCCCC1(O)C1=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=CC=C1,"InChI=1S/C21H31NO8/c1-22(2)11-13-6-3-4-9-21(13,28)12-7-5-8-14(10-12)29-20-17(25)15(23)16(24)18(30-20)19(26)27/h5,7-8,10,13,15-18,20,23-25,28H,3-4,6,9,11H2,1-2H3,(H,26,27)",DSBGQRZOJXSECT,UHFFFAOYSA,N,O-Desmethyl-tramado glucuronide,DSBGQRZOJXSECT-UHFFFAOYSA-N
HMDB60857,549.141714789,C24H27N3O10S,CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC=N1,"InChI=1S/C24H27N3O10S/c1-27(9-10-35-13-6-4-12(5-7-13)11-15-21(31)26-24(34)38-15)20-14(3-2-8-25-20)36-23-18(30)16(28)17(29)19(37-23)22(32)33/h2-8,15-19,23,28-30H,9-11H2,1H3,(H,32,33)(H,26,31,34)",YDRMOALONMVDNG,UHFFFAOYSA,N,o-O-glucuronide rosiglitazone,YDRMOALONMVDNG-UHFFFAOYSA-N
HMDB60858,453.066441357,C18H19N3O7S2,CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=C(OS(O)(=O)=O)C=CC=N1,"InChI=1S/C18H19N3O7S2/c1-21(16-14(3-2-8-19-16)28-30(24,25)26)9-10-27-13-6-4-12(5-7-13)11-15-17(22)20-18(23)29-15/h2-8,15H,9-11H2,1H3,(H,20,22,23)(H,24,25,26)",ZVSPRKOUHTZIGH,UHFFFAOYSA,N,o-O-sulfate rosiglitazone,ZVSPRKOUHTZIGH-UHFFFAOYSA-N
HMDB60859,986.383356164,C48H68Cl2O17,CC[C@H]1\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)C3=C(O)C(Cl)=C(O)C(Cl)=C3CC)[C@H](O)[C@@H]2OC)\C(=O)O[C@@H](C\C=C(/C)\C=C(C)\[C@@H]1O[C@@H]1OC(C)(C)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](C)O,"InChI=1S/C48H68Cl2O17/c1-11-27-20-23(4)30(52)16-14-13-15-28(21-62-47-42(61-10)39(57)41(26(7)63-47)65-45(60)32-29(12-2)33(49)36(54)34(50)35(32)53)44(59)64-31(25(6)51)18-17-22(3)19-24(5)40(27)66-46-38(56)37(55)43(58)48(8,9)67-46/h13-15,17,19-20,25-27,30-31,37-43,46-47,51-58H,11-12,16,18,21H2,1-10H3/b14-13+,22-17+,23-20+,24-19+,28-15+/t25-,26-,27+,30+,31+,37-,38+,39+,40+,41-,42+,43+,46-,47-/m1/s1",MWZWKUKATWMWGS,KJJILEKPSA,N,OP-1118,MWZWKUKATWMWGS-KJJILEKPSA-N
HMDB60860,203.105862053,C11H13N3O,C[C@@H]1CC(=O)NN=C1C1=CC=C(N)C=C1,"InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1",GDMRFHZLKNYRRO,SSDOTTSWSA,N,OR-1855,GDMRFHZLKNYRRO-SSDOTTSWSA-N
HMDB60861,245.116426739,C13H15N3O2,C[C@@H]1CC(=O)NN=C1C1=CC=C(NC(C)=O)C=C1,"InChI=1S/C13H15N3O2/c1-8-7-12(18)15-16-13(8)10-3-5-11(6-4-10)14-9(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,18)/t8-/m1/s1",GDZXNMWZXLDEKG,MRVPVSSYSA,N,OR-1896,GDZXNMWZXLDEKG-MRVPVSSYSA-N
HMDB60862,549.141714789,C24H27N3O10S,CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=N1,"InChI=1S/C24H27N3O10S/c1-27(8-9-35-13-4-2-12(3-5-13)10-15-21(31)26-24(34)38-15)16-7-6-14(11-25-16)36-23-19(30)17(28)18(29)20(37-23)22(32)33/h2-7,11,15,17-20,23,28-30H,8-10H2,1H3,(H,32,33)(H,26,31,34)",QGESYIGEZXWVIN,UHFFFAOYSA,N,p-O-glucuronide rosiglitazone,QGESYIGEZXWVIN-UHFFFAOYSA-N
HMDB60863,516.231910004,C23H36N2O11,CCC(NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O[C@@]1(O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O,"InChI=1S/C23H36N2O11/c1-4-13(20(30)31)24-10(2)19(29)25-14-8-6-5-7-12(14)9-15(25)21(32)36-23(22(33)34)18(28)17(27)16(26)11(3)35-23/h10-18,24,26-28H,4-9H2,1-3H3,(H,30,31)(H,33,34)/t10?,11-,12+,13?,14+,15+,16-,17+,18-,23-/m1/s1",DCYRDAKXQLERQS,FQCHSDBKSA,N,Perindoprilat glucuronide,DCYRDAKXQLERQS-FQCHSDBKSA-N
HMDB60864,268.08479226,C15H12N2O3,O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC2OC2C=C1,"InChI=1S/C15H12N2O3/c18-13-15(17-14(19)16-13,9-4-2-1-3-5-9)10-6-7-11-12(8-10)20-11/h1-8,11-12H,(H2,16,17,18,19)",WBRFFCOFWKCXFD,UHFFFAOYSA,N,Phenytoin arene-oxide,WBRFFCOFWKCXFD-UHFFFAOYSA-N
HMDB60865,284.079706882,C15H12N2O4,OC1=C(O)C=C(C=C1)C1(NC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C15H12N2O4/c18-11-7-6-10(8-12(11)19)15(9-4-2-1-3-5-9)13(20)16-14(21)17-15/h1-8,18-19H,(H2,16,17,20,21)",WWEKVOUOQUHVHS,UHFFFAOYSA,N,Phenytoin catechol,WWEKVOUOQUHVHS-UHFFFAOYSA-N
HMDB60866,286.095356946,C15H14N2O4,OC1C=CC(=CC1O)C1(NC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C15H14N2O4/c18-11-7-6-10(8-12(11)19)15(9-4-2-1-3-5-9)13(20)16-14(21)17-15/h1-8,11-12,18-19H,(H2,16,17,20,21)",FEEKFEKCXIDMIS,UHFFFAOYSA,N,Phenytoin dihydrodiol,FEEKFEKCXIDMIS-UHFFFAOYSA-N
HMDB60867,296.079706882,C16H12N2O4,OC1=C(C=O)C=C(C=C1)C1(NC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C16H12N2O4/c19-9-10-8-12(6-7-13(10)20)16(11-4-2-1-3-5-11)14(21)17-15(22)18-16/h1-9,20H,(H2,17,18,21,22)",IVKHYRHKQDQYFC,UHFFFAOYSA,N,Phenytoin methylcatechol,IVKHYRHKQDQYFC-UHFFFAOYSA-N
HMDB60868,282.064056818,C15H10N2O4,O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC(=O)C(=O)C=C1,"InChI=1S/C15H10N2O4/c18-11-7-6-10(8-12(11)19)15(9-4-2-1-3-5-9)13(20)16-14(21)17-15/h1-8H,(H2,16,17,20,21)",AWCFFJFKIPSEFH,UHFFFAOYSA,N,Phenytoin quinone,AWCFFJFKIPSEFH-UHFFFAOYSA-N
HMDB60869,398.220557458,C23H30N2O4,CCOC(=O)[C@H](CCC1=CC=CC=C1)N1[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C1=O,"InChI=1S/C23H30N2O4/c1-3-29-23(28)19(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-18-11-7-10-17(18)14-20(25)22(24)27/h4-6,8-9,15,17-20H,3,7,10-14H2,1-2H3/t15-,17-,18-,19-,20-/m0/s1",KOVMAAYRBJCASY,JBDAPHQKSA,N,Ramipril Diketopiperazine,KOVMAAYRBJCASY-JBDAPHQKSA-N
HMDB60870,821.362255473,C44H55NO14,CO[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1,"InChI=1S/C44H55NO14/c1-23-27(56-38(51)32(48)31(25-16-12-10-13-17-25)45-39(52)59-40(3,4)5)21-44(53)36(57-37(50)26-18-14-11-15-19-26)34-42(8,35(49)33(54-9)30(23)41(44,6)7)28(47)20-29-43(34,22-55-29)58-24(2)46/h10-19,27-29,31-34,36,47-48,53H,20-22H2,1-9H3,(H,45,52)/t27-,28-,29+,31-,32+,33+,34?,36-,42+,43-,44+/m0/s1",KWXAADKMZIJIMH,JWMHMURQSA,N,RPR112698,KWXAADKMZIJIMH-JWMHMURQSA-N
HMDB60871,821.362255473,C44H55NO14,CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)C2[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CC=C4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C,"InChI=1S/C44H55NO14/c1-23-27(56-38(51)33(48)31(25-16-12-10-13-17-25)45-39(52)59-40(3,4)5)21-44(53)36(57-37(50)26-18-14-11-15-19-26)34-42(8,35(49)32(47)30(23)41(44,6)7)28(54-9)20-29-43(34,22-55-29)58-24(2)46/h10-19,27-29,31-34,36,47-48,53H,20-22H2,1-9H3,(H,45,52)/t27-,28-,29+,31-,32+,33+,34?,36-,42+,43-,44+/m0/s1",CIHAXHLPSYZREI,JWMHMURQSA,N,RPR123142,CIHAXHLPSYZREI-JWMHMURQSA-N
HMDB60872,640.118390708,C27H24ClF3N4O9,CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)N([C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1,"InChI=1S/C27H24ClF3N4O9/c1-32-23(39)18-11-15(8-9-33-18)43-14-5-2-12(3-6-14)34-26(42)35(13-4-7-17(28)16(10-13)27(29,30)31)24-21(38)19(36)20(37)22(44-24)25(40)41/h2-11,19-22,24,36-38H,1H3,(H,32,39)(H,34,42)(H,40,41)/t19-,20-,21+,22-,24+/m0/s1",HALZWBPBJOJUOZ,QMDPOKHVSA,N,Sorafenib beta-D-Glucuronide,HALZWBPBJOJUOZ-QMDPOKHVSA-N
HMDB60873,480.081217342,C21H16ClF3N4O4,CNC(=O)C1=[N+]([O-])C=CC(OC2=CC=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=C1,"InChI=1S/C21H16ClF3N4O4/c1-26-19(30)18-11-15(8-9-29(18)32)33-14-5-2-12(3-6-14)27-20(31)28-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,27,28,31)",BQAZCCVUZDIZDC,UHFFFAOYSA,N,Sorafenib N-oxide,BQAZCCVUZDIZDC-UHFFFAOYSA-N
HMDB60874,459.001485439,C10H15N5O10P2S,NC1=NC(=S)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(28)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-27(21,22)25-26(18,19)20/h2-3,5-6,9,16-17H,1H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,28)/t3-,5-,6-,9-/m1/s1",IUTNWRFYTFZSEK,UUOKFMHZSA,N,Thioguanosine 5'-diphosphate,IUTNWRFYTFZSEK-UUOKFMHZSA-N
HMDB60875,538.967815849,C10H16N5O13P3S,NC1=NC(=S)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(32)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-3,5-6,9,16-17H,1H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,32)/t3-,5-,6-,9-/m1/s1",QENYANNAQSWPLM,UUOKFMHZSA,N,Thioguanosine 5'-triphosphate,QENYANNAQSWPLM-UUOKFMHZSA-N
HMDB60876,261.956176428,C5H3N4O5PS,OP([O-])(=O)ON1C=NC2=C1N=C([O-])N=C2S,"InChI=1S/C5H5N4O5PS/c10-5-7-3-2(4(16)8-5)6-1-9(3)14-15(11,12)13/h1H,(H2,11,12,13)(H2,7,8,10,16)/p-2",OAOIXPPCQSJBRI,UHFFFAOYSA,L,Thioxanthine monophosphate,OAOIXPPCQSJBRI-UHFFFAOYSA-L
HMDB60877,893.219673435,C29H50N7O17P3S,CCCC(CCC)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C29H50N7O17P3S/c1-5-7-17(8-6-2)28(41)57-12-11-31-19(37)9-10-32-26(40)23(39)29(3,4)14-50-56(47,48)53-55(45,46)49-13-18-22(52-54(42,43)44)21(38)27(51-18)36-16-35-20-24(30)33-15-34-25(20)36/h15-18,21-23,27,38-39H,5-14H2,1-4H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,21-,22-,23?,27-/m0/s1",UCIOSJWVYJWBEO,TWRVVBTOSA,N,Valproic acid CoA,UCIOSJWVYJWBEO-TWRVVBTOSA-N
HMDB60878,204.089877638,C11H12N2O2,CN1N(C(=O)C(O)=C1C)C1=CC=CC=C1,"InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3",SKVPTPMWXJSBTF,UHFFFAOYSA,N,4-Hydroxyantipyrine,SKVPTPMWXJSBTF-UHFFFAOYSA-N
HMDB60879,616.191776524,C30H28N6O9,CCOC1=NC2=CC=CC(C(=O)OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,"InChI=1S/C30H28N6O9/c1-2-43-30-31-20-9-5-8-19(28(42)45-29-24(39)22(37)23(38)25(44-29)27(40)41)21(20)36(30)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)26-32-34-35-33-26/h3-13,22-25,29,37-39H,2,14H2,1H3,(H,40,41)(H,32,33,34,35)/t22-,23-,24+,25-,29?/m0/s1",IQMPSFXZXNRDMY,GPKAUORGSA,N,Candesartan O-glucuronide,IQMPSFXZXNRDMY-GPKAUORGSA-N
HMDB60881,198.032491857,C5H12ClN2O2P,ClCCNP1(=O)NCCCO1,"InChI=1S/C5H12ClN2O2P/c6-2-4-8-11(9)7-3-1-5-10-11/h1-5H2,(H2,7,8,9)",DZKGMGPLDJOVCX,UHFFFAOYSA,N,Dechloroethyl cyclophosphamide,DZKGMGPLDJOVCX-UHFFFAOYSA-N
HMDB60882,369.084851839,C19H15NO7,CC(=O)C[C@@H](C1=CC=C(C=C1)N(=O)=O)C1=C(O)C2=C(OC1=O)C=CC(O)=C2,"InChI=1S/C19H15NO7/c1-10(21)8-14(11-2-4-12(5-3-11)20(25)26)17-18(23)15-9-13(22)6-7-16(15)27-19(17)24/h2-7,9,14,22-23H,8H2,1H3/t14-/m0/s1",SUHPKJKJROTWOQ,AWEZNQCLSA,N,6-Hydroxy-R-acenocoumarol,SUHPKJKJROTWOQ-AWEZNQCLSA-N
HMDB60883,369.084851839,C19H15NO7,CC(=O)C[C@@H](C1=CC=C(C=C1)N(=O)=O)C1=C(O)C2=C(OC1=O)C=C(O)C=C2,"InChI=1S/C19H15NO7/c1-10(21)8-15(11-2-4-12(5-3-11)20(25)26)17-18(23)14-7-6-13(22)9-16(14)27-19(17)24/h2-7,9,15,22-23H,8H2,1H3/t15-/m0/s1",JTCREUDLEYTCAB,HNNXBMFYSA,N,7-Hydroxy-R-acenocoumarol,JTCREUDLEYTCAB-HNNXBMFYSA-N
HMDB60884,369.084851839,C19H15NO7,CC(=O)C[C@@H](C1=CC=C(C=C1)N(=O)=O)C1=C(O)C2=C(OC1=O)C(O)=CC=C2,"InChI=1S/C19H15NO7/c1-10(21)9-14(11-5-7-12(8-6-11)20(25)26)16-17(23)13-3-2-4-15(22)18(13)27-19(16)24/h2-8,14,22-23H,9H2,1H3/t14-/m0/s1",RXFXXWMNPIVMHP,AWEZNQCLSA,N,8-Hydroxy-R-acenocoumarol,RXFXXWMNPIVMHP-AWEZNQCLSA-N
HMDB60885,296.104859,C18H16O4,CC[C@H](C1=CC=C(O)C=C1)C1=C(O)C2=CC=CC=C2OC1=O,"InChI=1S/C18H16O4/c1-2-13(11-7-9-12(19)10-8-11)16-17(20)14-5-3-4-6-15(14)22-18(16)21/h3-10,13,19-20H,2H2,1H3/t13-/m1/s1",ZPNYHQZRGWFLST,CYBMUJFWSA,N,4'-Hydroxy-R-phenprocoumon,ZPNYHQZRGWFLST-CYBMUJFWSA-N
HMDB60886,296.104859,C18H16O4,CC[C@H](C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC(O)=C2,"InChI=1S/C18H16O4/c1-2-13(11-6-4-3-5-7-11)16-17(20)14-10-12(19)8-9-15(14)22-18(16)21/h3-10,13,19-20H,2H2,1H3/t13-/m1/s1",BKRXPRMCBOAGQH,CYBMUJFWSA,N,6-Hydroxy-R-phenprocoumon,BKRXPRMCBOAGQH-CYBMUJFWSA-N
HMDB60887,296.104859,C18H16O4,CC[C@H](C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C(O)=CC=C2,"InChI=1S/C18H16O4/c1-2-12(11-7-4-3-5-8-11)15-16(20)13-9-6-10-14(19)17(13)22-18(15)21/h3-10,12,19-20H,2H2,1H3/t12-/m1/s1",DKNXIPNBVAVYAP,GFCCVEGCSA,N,8-Hydroxy-R-phenprocoumon,DKNXIPNBVAVYAP-GFCCVEGCSA-N
HMDB60888,296.104859,C18H16O4,CC[C@H](C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=C(O)C=C2,"InChI=1S/C18H16O4/c1-2-13(11-6-4-3-5-7-11)16-17(20)14-9-8-12(19)10-15(14)22-18(16)21/h3-10,13,19-20H,2H2,1H3/t13-/m1/s1",HBAPGROFUGJSGR,CYBMUJFWSA,N,7-Hydroxy-R-phenprocoumon,HBAPGROFUGJSGR-CYBMUJFWSA-N
HMDB60890,307.193614427,C21H25NO,CN(C\C=C\C#CC(C)(C)CO)CC1=CC=CC2=CC=CC=C12,"InChI=1S/C21H25NO/c1-21(2,17-23)14-7-4-8-15-22(3)16-19-12-9-11-18-10-5-6-13-20(18)19/h4-6,8-13,23H,15-17H2,1-3H3/b8-4+",GPEJUKJZTGFNKY,XBXARRHUSA,N,Hydroxyterbinafine,GPEJUKJZTGFNKY-XBXARRHUSA-N
HMDB60891,277.183049741,C20H23N,CC(C)(C)C#C\C=C\CNCC1=CC=CC2=CC=CC=C12,"InChI=1S/C20H23N/c1-20(2,3)14-7-4-8-15-21-16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13,21H,15-16H2,1-3H3/b8-4+",IZJZLXQHMWUCIC,XBXARRHUSA,N,N-Desmethylterbinafine,IZJZLXQHMWUCIC-XBXARRHUSA-N
HMDB60892,312.115029756,C22H16O2,O=CC1=CC=CC2=CC=CC=C12.O=CC1=CC=CC2=CC=CC=C12,InChI=1S/2C11H8O/c2*12-8-10-6-3-5-9-4-1-2-7-11(9)10/h2*1-8H,PRDPBCXFXCOEBM,UHFFFAOYSA,N,1-Naphtaldehyde,PRDPBCXFXCOEBM-UHFFFAOYSA-N
HMDB60893,365.109959332,C16H14F3N5O2,C[C@@H](C1=NC=[N+]([O-])C=C1F)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,"InChI=1S/C16H14F3N5O2/c1-10(15-14(19)5-24(26)9-21-15)16(25,6-23-8-20-7-22-23)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1",KPLFPLUCFPRUHU,MGPLVRAMSA,N,"UK-121,265",KPLFPLUCFPRUHU-MGPLVRAMSA-N
HMDB60894,365.109959332,C16H14F3N5O2,C[C@@H](C1=NC=NC=C1F)[C@](O)(C(O)N1C=NC=N1)C1=C(F)C=C(F)C=C1,"InChI=1S/C16H14F3N5O2/c1-9(14-13(19)5-20-6-22-14)16(26,15(25)24-8-21-7-23-24)11-3-2-10(17)4-12(11)18/h2-9,15,25-26H,1H3/t9-,15?,16+/m0/s1",ICGJRJXWKNVQMK,TXTOSPAFSA,N,4-Hydroxyvoriconazole,ICGJRJXWKNVQMK-TXTOSPAFSA-N
HMDB60896,706.297109992,C36H46N6O5S2,CC(C)[C@H](NC(O)=NCC1=CSC(=N1)C(C)C)C(O)=N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)N=C(O)OCC1=CN=CS1)CC1=CC=CC=C1,"InChI=1S/C36H46N6O5S2/c1-23(2)32(42-35(45)38-18-28-21-48-34(40-28)24(3)4)33(44)39-27(15-25-11-7-5-8-12-25)17-31(43)30(16-26-13-9-6-10-14-26)41-36(46)47-20-29-19-37-22-49-29/h5-14,19,21-24,27,30-32,43H,15-18,20H2,1-4H3,(H,39,44)(H,41,46)(H2,38,42,45)/t27-,30-,31-,32-/m0/s1",SQANVQYLDPEULW,QJANCWQKSA,N,N-Desmethylritonavir,SQANVQYLDPEULW-QJANCWQKSA-N
HMDB60897,432.202227319,C23H30NO7,C[N+](C)(CCOC(C1=CC=CC=C1)C1=CC=CC=C1)C1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C23H29NO7/c1-24(2,22-19(27)17(25)18(26)21(31-22)23(28)29)13-14-30-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-22,25-27H,13-14H2,1-2H3/p+1/t17-,18-,19+,21-,22?/m0/s1",OAIGZXXQYIJBLR,VAUIJEFBSA,O,Diphenhydramine N-glucuronide,OAIGZXXQYIJBLR-VAUIJEFBSA-O
HMDB60898,398.166413398,C22H26N2O3S,C[N+]1([O-])CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2,"InChI=1S/C22H26N2O3S/c1-24(25)12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-28(26,27)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-,24?/m1/s1",QXXCIRSBRHOOJE,PHSANKKPSA,N,Eletriptan N-oxide,QXXCIRSBRHOOJE-PHSANKKPSA-N
HMDB60899,279.048462472,C14H14ClNOS,[O-][N+]1(CC2=CC=CC=C2Cl)CCC2=C(C1)C=CS2,"InChI=1S/C14H14ClNOS/c15-13-4-2-1-3-11(13)9-16(17)7-5-14-12(10-16)6-8-18-14/h1-4,6,8H,5,7,9-10H2",YEICEJCPALKCAT,UHFFFAOYSA,N,Ticlopidine N-oxide,YEICEJCPALKCAT-UHFFFAOYSA-N
HMDB60900,342.124738957,C18H19ClN4O,C[N+]1([O-])CCN(CC1)C1=NC2=C(NC3=CC=CC=C13)C=CC(Cl)=C2,"InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3",OGUCZBIQSYYWEF,UHFFFAOYSA,N,Clozapine N-oxide,OGUCZBIQSYYWEF-UHFFFAOYSA-N
HMDB60901,502.161912323,C24H27ClN4O6,CN1CCN(CC1)C1=NC2=C(C=CC(Cl)=C2)N([C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C2=CC=CC=C12,"InChI=1S/C24H27ClN4O6/c1-27-8-10-28(11-9-27)22-14-4-2-3-5-16(14)29(17-7-6-13(25)12-15(17)26-22)23-20(32)18(30)19(31)21(35-23)24(33)34/h2-7,12,18-21,23,30-32H,8-11H2,1H3,(H,33,34)/t18-,19-,20+,21-,23+/m1/s1",YWWIDMPXCSUNRD,VZWAGXQNSA,N,Clozapine glucuronide,YWWIDMPXCSUNRD-VZWAGXQNSA-N
HMDB60902,211.076391782,C11H14ClNO,OC1(CCNCC1)C1=CC=C(Cl)C=C1,"InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2",LZAYOZUFUAMFLD,UHFFFAOYSA,N,4-(4-chlorophenyl)-4-hydroxypiperidine,LZAYOZUFUAMFLD-UHFFFAOYSA-N
HMDB60903,377.155784961,C21H25ClFNO2,OC(CCCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)C1=CC=C(F)C=C1,"InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2",WNZBBTJFOIOEMP,UHFFFAOYSA,N,Reduced haloperidol,WNZBBTJFOIOEMP-UHFFFAOYSA-N
HMDB60904,551.172222885,C27H31ClFNO8,O[C@@H]1[C@@H](O)C(OC2(CCN(CCCC(=O)C3=CC=C(F)C=C3)CC2)C2=CC=C(Cl)C=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C27H31ClFNO8/c28-18-7-5-17(6-8-18)27(38-26-23(34)21(32)22(33)24(37-26)25(35)36)11-14-30(15-12-27)13-1-2-20(31)16-3-9-19(29)10-4-16/h3-10,21-24,26,32-34H,1-2,11-15H2,(H,35,36)/t21-,22-,23+,24-,26?/m0/s1",ZFNLYKVTHNLKNZ,BFZHNPFYSA,N,Haloperidol glucuronide,ZFNLYKVTHNLKNZ-BFZHNPFYSA-N
HMDB60905,357.129570211,C21H21ClFNO,FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)C1=CC=C(Cl)C=C1,"InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2",ZNOLNAPJKOYTHY,UHFFFAOYSA,N,"Haloperidol 1,2,3,6-tetrahydropyridine",ZNOLNAPJKOYTHY-UHFFFAOYSA-N
HMDB60906,330.219494826,C21H30O3,CCCCCC1=CC(O)=C2C3C=C(CO)CCC3C(C)(C)OC2=C1,"InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3",YCBKSSAWEUDACY,UHFFFAOYSA,N,11-Hydroxy-delta-9-THC,YCBKSSAWEUDACY-UHFFFAOYSA-N
HMDB60908,330.219494826,C21H30O3,CCCCCC1=CC(O)=C2C3C=C(C)C[C@H](O)C3C(C)(C)OC2=C1,"InChI=1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-15-9-13(2)10-17(23)20(15)21(3,4)24-18(19)12-14/h9,11-12,15,17,20,22-23H,5-8,10H2,1-4H3/t15?,17-,20?/m0/s1",DJCKLUPKZRLTPE,CMVHYPBASA,N,7-beta-Hydroxy-delta-9-THC,DJCKLUPKZRLTPE-CMVHYPBASA-N
HMDB60909,330.219494826,C21H30O3,CCCCCC1=CC(O)=C2C3C=C(C)C[C@H](O)C3C(C)(C)OC2=C1,"InChI=1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-15-9-13(2)10-17(23)20(15)21(3,4)24-18(19)12-14/h9,11-12,15,17,20,22-23H,5-8,10H2,1-4H3/t15?,17-,20?/m0/s1",DJCKLUPKZRLTPE,CMVHYPBASA,N,7-alpha-Hydroxy-delta-9-THC,DJCKLUPKZRLTPE-CMVHYPBASA-N
HMDB60910,330.219494826,C21H30O3,CCCCCC1=CC(O)=C2C3C=C(C)C(O)CC3C(C)(C)OC2=C1,"InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3",INKUWBOHCFHXTJ,UHFFFAOYSA,N,8-Hydroxy-delta-9-THC,INKUWBOHCFHXTJ-UHFFFAOYSA-N
HMDB60911,330.219494826,C21H30O3,CCCCCC1=CC(O)=C2C3C=C(C)[C@H](O)CC3C(C)(C)OC2=C1,"InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15?,16?,17-/m1/s1",INKUWBOHCFHXTJ,OFLPRAFFSA,N,8-beta-Hydroxy-delta-9-THC,INKUWBOHCFHXTJ-OFLPRAFFSA-N
HMDB60912,330.219494826,C21H30O3,CCCCCC1=CC(O)=C2C3C4OC4(C)CCC3C(C)(C)OC2=C1,"InChI=1S/C21H30O3/c1-5-6-7-8-13-11-15(22)18-16(12-13)23-20(2,3)14-9-10-21(4)19(24-21)17(14)18/h11-12,14,17,19,22H,5-10H2,1-4H3",VSQGBNUBIDZRPJ,UHFFFAOYSA,N,"9-alpha,10-alpha-epoxyhexahydrocannabinol",VSQGBNUBIDZRPJ-UHFFFAOYSA-N
HMDB60913,404.099980769,C17H17ClN6O4,CN1(=O)CCN(CC1)C(=O)OC1N(C(=O)C2=C1N=CC=N2)C1=NC=C(Cl)C=C1,"InChI=1S/C17H17ClN6O4/c1-24(27)8-6-22(7-9-24)17(26)28-16-14-13(19-4-5-20-14)15(25)23(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3",IPTIKKTXLHVRKN,UHFFFAOYSA,N,Zopiclone N-oxide,IPTIKKTXLHVRKN-UHFFFAOYSA-N
HMDB60914,412.094036316,C17H20N2O8S,CC(N(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=N)C1=CC2=CC=CC=C2S1,"InChI=1S/C17H20N2O8S/c1-7(10-6-8-4-2-3-5-9(8)28-10)19(17(18)25)27-16-13(22)11(20)12(21)14(26-16)15(23)24/h2-7,11-14,16,20-22H,1H3,(H2,18,25)(H,23,24)/t7?,11-,12-,13+,14-,16-/m0/s1",CYYKQHWQVGZJRJ,UPZRFPAJSA,N,Zileuton O-glucuronide,CYYKQHWQVGZJRJ-UPZRFPAJSA-N
HMDB60915,471.048772003,C20H19Cl2NO8,O[C@@H]1[C@@H](O)[C@H](OC(=O)CC2=CC=CC=C2NC2=C(Cl)C=CC=C2Cl)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1",JXIKYYSIYCILNG,HBWRTXEVSA,N,Diclofenac acyl glucuronide,JXIKYYSIYCILNG-HBWRTXEVSA-N
HMDB60916,463.184231531,C23H29NO9,CCC1=C2NC3=C(CCOC3(CC)CC(=O)OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C2=CC=C1,"InChI=1S/C23H29NO9/c1-3-11-6-5-7-12-13-8-9-31-23(4-2,20(13)24-15(11)12)10-14(25)32-22-18(28)16(26)17(27)19(33-22)21(29)30/h5-7,16-19,22,24,26-28H,3-4,8-10H2,1-2H3,(H,29,30)/t16-,17-,18+,19-,22?,23?/m0/s1",XJZNMEMKZBFUIZ,JSXGDUDQSA,N,Etodolac acyl glucuronide,XJZNMEMKZBFUIZ-JSXGDUDQSA-N
HMDB60917,260.084872487,C15H13FO3,CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H13FO3/c1-9(15(18)19)11-4-7-13(14(16)8-11)10-2-5-12(17)6-3-10/h2-9,17H,1H3,(H,18,19)",GTSMMBJBNJDFRA,UHFFFAOYSA,N,4'-Hydroxyflurbiprofen,GTSMMBJBNJDFRA-UHFFFAOYSA-N
HMDB60918,420.122045853,C21H21FO8,CC(C(=O)O[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1,"InChI=1S/C21H21FO8/c1-10(12-7-8-13(14(22)9-12)11-5-3-2-4-6-11)20(28)30-21-17(25)15(23)16(24)18(29-21)19(26)27/h2-10,15-18,21,23-25H,1H3,(H,26,27)/t10?,15-,16-,17+,18-,21-/m1/s1",PLPQBSOCUVSKTP,QGCNQZRGSA,N,Flurbiprofen glucuronide,PLPQBSOCUVSKTP-QGCNQZRGSA-N
HMDB60919,382.162767808,C19H26O8,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10?,13-,14-,15+,16-,19-/m0/s1",ABOLXXZAJIAUGR,JPMMFUSZSA,N,Ibuprofen glucuronide,ABOLXXZAJIAUGR-JPMMFUSZSA-N
HMDB60920,222.125594442,C13H18O3,CC(C(O)=O)C1=CC=C(CC(C)(C)O)C=C1,"InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)",UJHKVYPPCJBOSG,UHFFFAOYSA,N,2-Hydroxyibuprofen,UJHKVYPPCJBOSG-UHFFFAOYSA-N
HMDB60921,222.125594442,C13H18O3,CC(CO)CC1=CC=C(C=C1)C(C)C(O)=O,"InChI=1S/C13H18O3/c1-9(8-14)7-11-3-5-12(6-4-11)10(2)13(15)16/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16)",HFAIHLSDLUYLQA,UHFFFAOYSA,N,3-Hydroxyibuprofen,HFAIHLSDLUYLQA-UHFFFAOYSA-N
HMDB60922,533.1088737,C25H24ClNO10,COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C25H24ClNO10/c1-11-15(10-18(28)36-25-21(31)19(29)20(30)22(37-25)24(33)34)16-9-14(35-2)7-8-17(16)27(11)23(32)12-3-5-13(26)6-4-12/h3-9,19-22,25,29-31H,10H2,1-2H3,(H,33,34)/t19-,20-,21+,22-,25+/m0/s1",QCBWEVBGELGABM,CZLVRFMKSA,N,Indomethacin acyl glucuronide,QCBWEVBGELGABM-CZLVRFMKSA-N
HMDB60923,406.126382302,C20H22O9,COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14-,15-,16+,17-,20?/m0/s1",XRHIELLXTVJOKM,WDZACEAPSA,N,Naproxen O-glucuronide,XRHIELLXTVJOKM-WDZACEAPSA-N
HMDB60924,276.045629562,C14H12O4S,CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1=O,"InChI=1S/C14H12O4S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-19(12)18/h2-9H,1H3,(H,16,17)",BBVYLLCHKPXDCK,UHFFFAOYSA,N,Suprofen S-oxide,BBVYLLCHKPXDCK-UHFFFAOYSA-N
HMDB60925,276.045629562,C14H12O4S,CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC2OC2S1,"InChI=1S/C14H12O4S/c1-7(13(16)17)8-2-4-9(5-3-8)12(15)11-6-10-14(18-10)19-11/h2-7,10,14H,1H3,(H,16,17)",SDGBIPHZPNRUFG,UHFFFAOYSA,N,"Thiophene-4,5-epoxide",SDGBIPHZPNRUFG-UHFFFAOYSA-N
HMDB60926,374.049190753,C18H15ClN2O3S,CC1=N(=O)C=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C18H15ClN2O3S/c1-12-3-4-14(11-21(12)22)18-17(9-15(19)10-20-18)13-5-7-16(8-6-13)25(2,23)24/h3-11H,1-2H3",KMLFAHIIJSUUPX,UHFFFAOYSA,N,Etoricoxib 1'-N'-oxide,KMLFAHIIJSUUPX-UHFFFAOYSA-N
HMDB60927,309.056799199,C15H13ClFNO3,CC1=CC(CC(O)=O)=C(NC2=C(Cl)C=C(O)C=C2F)C=C1,"InChI=1S/C15H13ClFNO3/c1-8-2-3-13(9(4-8)5-14(20)21)18-15-11(16)6-10(19)7-12(15)17/h2-4,6-7,18-19H,5H2,1H3,(H,20,21)",LUNFHOZKXHTOLG,UHFFFAOYSA,N,Hydroxylumiracoxib,LUNFHOZKXHTOLG-UHFFFAOYSA-N
HMDB60928,643.335646793,C35H49NO10,[H][C@]12CC3=C4C(O[C@@H]5[C@@]4(CCN1CC1CC1)[C@@]21CC[C@@]5(OC)[C@H](C1)[C@@](C)(O)C(C)(C)C)=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3,"InChI=1S/C35H49NO10/c1-31(2,3)32(4,42)20-15-33-10-11-35(20,43-5)30-34(33)12-13-36(16-17-6-7-17)21(33)14-18-8-9-19(26(46-30)22(18)34)44-29-25(39)23(37)24(38)27(45-29)28(40)41/h8-9,17,20-21,23-25,27,29-30,37-39,42H,6-7,10-16H2,1-5H3,(H,40,41)/t20-,21-,23+,24+,25-,27+,29-,30-,32-,33-,34+,35-/m1/s1",CZULHKGIAJASAA,RONBUCGTSA,N,Buprenorphine glucuronide,CZULHKGIAJASAA-RONBUCGTSA-N
HMDB60929,285.136493479,C17H19NO3,[H][C@@]12CC3=C4C(O[C@H]5[C@H]([O-])CC[C@@H]1[C@@]45CCN2C)=C([O-])C=C3,"InChI=1S/C17H20NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19H,3,5-8H2,1H3/q-1/p-1/t10-,11+,13+,16-,17-/m0/s1",BISKFRUZYNZQKW,NOSXKOESSA,M,Dihydroisomorphine,BISKFRUZYNZQKW-NOSXKOESSA-M
HMDB60930,461.168581467,C23H27NO9,[H][C@]12CC3=C4C(O[C@@H]5C(=O)CC[C@H]1[C@]45CCN2C)=C(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3,"InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2,5,10-11,15-17,19-20,22,26-28H,3-4,6-8H2,1H3,(H,29,30)/t10-,11+,15+,16+,17-,19+,20-,22+,23-/m1/s1",VLSHIBYUEOPPRX,BITROGNRSA,N,Hydromorphone 3-beta-O-glucuronide,VLSHIBYUEOPPRX-BITROGNRSA-N
HMDB60931,278.190874773,C20H24N,CCC1=[N+](C)C(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H24N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,4,15H2,1-3H3/q+1",SCIYBRNSSXZMKG,UHFFFAOYSA,N,"2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium (EDDP)",SCIYBRNSSXZMKG-UHFFFAOYSA-N
HMDB60932,460.189274104,C21H28N6O4S,CCCC1=NN(C)C2=C1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCNCC1,"InChI=1S/C21H28N6O4S/c1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-22-10-12-27/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,23,24,28)",UZTKBZXHEOVDRL,UHFFFAOYSA,N,"N-Desmethyl sildenafil (UK-103,320)",UZTKBZXHEOVDRL-UHFFFAOYSA-N
HMDB60933,354.167853186,C18H26O7,CC(C)C1=CC=CC(C(C)C)=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C18H26O7/c1-8(2)10-6-5-7-11(9(3)4)15(10)24-18-14(21)12(19)13(20)16(25-18)17(22)23/h5-9,12-14,16,18-21H,1-4H3,(H,22,23)/t12-,13-,14+,16-,18+/m0/s1",JZSJIASBMOIIKI,RUKPJNHUSA,N,Propofol glucuronide,JZSJIASBMOIIKI-RUKPJNHUSA-N
HMDB60934,461.173289689,C21H27N5O5S,CC1=CN=C(C=N1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@H]1CCC[C@@H](O)C1,"InChI=1S/C21H27N5O5S/c1-14-12-24-19(13-23-14)20(28)22-10-9-15-5-7-18(8-6-15)32(30,31)26-21(29)25-16-3-2-4-17(27)11-16/h5-8,12-13,16-17,27H,2-4,9-11H2,1H3,(H,22,28)(H2,25,26,29)/t16-,17+/m0/s1",GZLIUWBDTXQVBY,DLBZAZTESA,N,3-cis-Hydroxyglipizide,GZLIUWBDTXQVBY-DLBZAZTESA-N
HMDB60935,461.173289689,C21H27N5O5S,CC1=CN=C(C=N1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@H]1CC[C@H](O)CC1,"InChI=1S/C21H27N5O5S/c1-14-12-24-19(13-23-14)20(28)22-11-10-15-2-8-18(9-3-15)32(30,31)26-21(29)25-16-4-6-17(27)7-5-16/h2-3,8-9,12-13,16-17,27H,4-7,10-11H2,1H3,(H,22,28)(H2,25,26,29)/t16-,17-",WPQWQJBFAJEUHS,QAQDUYKDSA,N,4-trans-Hydroxyglipizide,WPQWQJBFAJEUHS-QAQDUYKDSA-N
HMDB60936,509.13873404,C23H28ClN3O6S,COC1=C(C=C(Cl)C=C1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@H]1CCCC[C@@H]1O,"InChI=1S/C23H28ClN3O6S/c1-33-21-11-8-16(24)14-18(21)22(29)25-13-12-15-6-9-17(10-7-15)34(31,32)27-23(30)26-19-4-2-3-5-20(19)28/h6-11,14,19-20,28H,2-5,12-13H2,1H3,(H,25,29)(H2,26,27,30)/t19-,20-/m0/s1",PASKIAZVROHUGZ,PMACEKPBSA,N,2-trans-Hydroxycyclohexyl glyburide,PASKIAZVROHUGZ-PMACEKPBSA-N
HMDB60937,509.13873404,C23H28ClN3O6S,COC1=C(C=C(Cl)C=C1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@@H]1CC[C@H](O)CC1,"InChI=1S/C23H28ClN3O6S/c1-33-21-11-4-16(24)14-20(21)22(29)25-13-12-15-2-9-19(10-3-15)34(31,32)27-23(30)26-17-5-7-18(28)8-6-17/h2-4,9-11,14,17-18,28H,5-8,12-13H2,1H3,(H,25,29)(H2,26,27,30)/t17-,18+",IUWSGCQEWOOQDN,HDICACEKSA,N,4-cis-Hydroxycyclohexyl glyburide,IUWSGCQEWOOQDN-HDICACEKSA-N
HMDB60938,509.13873404,C23H28ClN3O6S,COC1=C(C=C(Cl)C=C1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@H]1CC[C@H](O)CC1,"InChI=1S/C23H28ClN3O6S/c1-33-21-11-4-16(24)14-20(21)22(29)25-13-12-15-2-9-19(10-3-15)34(31,32)27-23(30)26-17-5-7-18(28)8-6-17/h2-4,9-11,14,17-18,28H,5-8,12-13H2,1H3,(H,25,29)(H2,26,27,30)/t17-,18-",IUWSGCQEWOOQDN,IYARVYRRSA,N,4-trans-Hydroxycyclohexyl glyburide,IUWSGCQEWOOQDN-IYARVYRRSA-N
HMDB60939,509.13873404,C23H28ClN3O6S,COC1=C(C=C(Cl)C=C1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@@H]1CCC[C@@H](O)C1,"InChI=1S/C23H28ClN3O6S/c1-33-21-10-7-16(24)13-20(21)22(29)25-12-11-15-5-8-19(9-6-15)34(31,32)27-23(30)26-17-3-2-4-18(28)14-17/h5-10,13,17-18,28H,2-4,11-12,14H2,1H3,(H,25,29)(H2,26,27,30)/t17-,18-/m1/s1",VFBAJFAMXTVSQA,QZTJIDSGSA,N,3-trans-Hydroxycyclohexyl glyburide,VFBAJFAMXTVSQA-QZTJIDSGSA-N
HMDB60940,509.13873404,C23H28ClN3O6S,COC1=C(C=C(Cl)C=C1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@@H]1CCC[C@H](O)C1,"InChI=1S/C23H28ClN3O6S/c1-33-21-10-7-16(24)13-20(21)22(29)25-12-11-15-5-8-19(9-6-15)34(31,32)27-23(30)26-17-3-2-4-18(28)14-17/h5-10,13,17-18,28H,2-4,11-12,14H2,1H3,(H,25,29)(H2,26,27,30)/t17-,18+/m1/s1",VFBAJFAMXTVSQA,MSOLQXFVSA,N,3-cis-Hydroxycyclohexyl glyburide,VFBAJFAMXTVSQA-MSOLQXFVSA-N
HMDB60941,463.157719852,C22H26FN3O5S,CC(C)C1=C(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)C(=NC(=N1)N(C)S(C)(=O)=O)C1=CC=C(F)C=C1,"InChI=1S/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m1/s1",SOEGVMSNJOCVHT,VEUZHWNKSA,N,Rosuvastatin 5 S-lactone,SOEGVMSNJOCVHT-VEUZHWNKSA-N
HMDB60942,467.152634474,C21H26FN3O6S,CC(C)C1=C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)C(=NC(NS(C)(=O)=O)=N1)C1=CC=C(F)C=C1,"InChI=1S/C21H26FN3O6S/c1-12(2)19-17(9-8-15(26)10-16(27)11-18(28)29)20(13-4-6-14(22)7-5-13)24-21(23-19)25-32(3,30)31/h4-9,12,15-16,26-27H,10-11H2,1-3H3,(H,28,29)(H,23,24,25)/b9-8+/t15-,16-/m1/s1",DJUKMHIJCDJSIJ,GUFYHEMZSA,N,N-Desmethylrosuvastatin,DJUKMHIJCDJSIJ-GUFYHEMZSA-N
HMDB60943,388.124548584,C23H20N2O2S,O=C1C(CCSC2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H20N2O2S/c26-22-21(16-17-28-20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2",PLGXGMUJUXKCDD,UHFFFAOYSA,N,Sulfinpyrazone sulfide,PLGXGMUJUXKCDD-UHFFFAOYSA-N
HMDB60944,420.114377828,C23H20N2O4S,O=C1C(CCS(=O)(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H20N2O4S/c26-22-21(16-17-30(28,29)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2",DQUYGWDNTAETLI,UHFFFAOYSA,N,Sulfinpyrazone sulfone,DQUYGWDNTAETLI-UHFFFAOYSA-N
HMDB60945,270.061612157,C12H9F3N2O2,C\C(O)=C(\C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7+",UTNUDOFZCWSZMS,JXMROGBWSA,N,A771726,UTNUDOFZCWSZMS-JXMROGBWSA-N
HMDB60946,149.047678473,C8H7NO2,CC(=O)N=C1C=CC(=O)C=C1,"InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3",URNSECGXFRDEDC,UHFFFAOYSA,N,NAPQI,URNSECGXFRDEDC-UHFFFAOYSA-N
HMDB60947,300.139326389,C18H21ClN2,CNCCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2,"InChI=1S/C18H21ClN2/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3",VPIXQGUBUKFLRF,UHFFFAOYSA,N,desmethylclomipramine,VPIXQGUBUKFLRF-UHFFFAOYSA-N
HMDB60948,261.151749613,C19H19N,CNCCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12,"InChI=1S/C19H19N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-13,20H,6,14H2,1H3",XECQQDXTQRYYBH,UHFFFAOYSA,N,desmethylcyclobenzaprine,XECQQDXTQRYYBH-UHFFFAOYSA-N
HMDB60949,292.067091465,C11H11F3N2O4,CC(C)(O)C(O)=NC1=CC(=C(C=C1)N(=O)=O)C(F)(F)F,"InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)",YPQLFJODEKMJEF,UHFFFAOYSA,N,2-hydroxyflutamide,YPQLFJODEKMJEF-UHFFFAOYSA-N
HMDB60950,318.119127035,C14H17F3N2O3,NCCO\N=C(/CCCC(O)=O)C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C14H17F3N2O3/c15-14(16,17)11-6-4-10(5-7-11)12(19-22-9-8-18)2-1-3-13(20)21/h4-7H,1-3,8-9,18H2,(H,20,21)/b19-12+",KUIZEDQDELAFQK,XDHOZWIPSA,N,fluvoxamino acid,KUIZEDQDELAFQK-XDHOZWIPSA-N
HMDB60951,214.044150532,C10H8F2O3,OC(=O)CCC(=O)C1=CC(F)=C(F)C=C1,"InChI=1S/C10H8F2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)",GYDFFFKCUNUZEL,UHFFFAOYSA,N,fluorobenzoylpropionic acid,GYDFFFKCUNUZEL-UHFFFAOYSA-N
HMDB60952,296.1888634,C19H24N2O,CN(C)CCCN1C2=CC=CC=C2CCC2=CC(O)=CC=C12,"InChI=1S/C19H24N2O/c1-20(2)12-5-13-21-18-7-4-3-6-15(18)8-9-16-14-17(22)10-11-19(16)21/h3-4,6-7,10-11,14,22H,5,8-9,12-13H2,1-2H3",ROTCPJFWLNDKHU,UHFFFAOYSA,N,2-hydroxyimipramine,ROTCPJFWLNDKHU-UHFFFAOYSA-N
HMDB60953,195.125928793,C11H17NO2,CC(N)COC1=C(C)C=CC=C1CO,"InChI=1S/C11H17NO2/c1-8-4-3-5-10(6-13)11(8)14-7-9(2)12/h3-5,9,13H,6-7,12H2,1-2H3",XMJYSMLLWRQQAE,UHFFFAOYSA,N,2-hydroxymexiletine,XMJYSMLLWRQQAE-UHFFFAOYSA-N
HMDB60954,195.125928793,C11H17NO2,CC(N)COC1=C(C)C=C(O)C=C1C,"InChI=1S/C11H17NO2/c1-7-4-10(13)5-8(2)11(7)14-6-9(3)12/h4-5,9,13H,6,12H2,1-3H3",YWOSWRCXWBDSRQ,UHFFFAOYSA,N,p-hydroxymexiletine,YWOSWRCXWBDSRQ-UHFFFAOYSA-N
HMDB60955,281.152812245,C17H19N3O,CN1(=O)CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1,"InChI=1S/C17H19N3O/c1-20(21)10-9-19-16(12-20)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)19/h2-8,16H,9-12H2,1H3",GAFCUVMEBFTFQJ,UHFFFAOYSA,N,mirtazapine-N-oxide,GAFCUVMEBFTFQJ-UHFFFAOYSA-N
HMDB60956,251.142247559,C16H17N3,C1CN2C(CN1)C1=CC=CC=C1CC1=C2N=CC=C1,"InChI=1S/C16H17N3/c1-2-6-14-12(4-1)10-13-5-3-7-18-16(13)19-9-8-17-11-15(14)19/h1-7,15,17H,8-11H2",FGLAMNFOHWVQOH,UHFFFAOYSA,N,N-desmethylmirtazapine,FGLAMNFOHWVQOH-UHFFFAOYSA-N
HMDB60957,281.152812245,C17H19N3O,CN1CCN2C(C1)C1=CC=CC=C1CC1=CC(O)=CN=C21,"InChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3",DAWYIZBOUQIVNX,UHFFFAOYSA,N,8-hydroxymirtazapine,DAWYIZBOUQIVNX-UHFFFAOYSA-N
HMDB60958,328.135781972,C17H20N4OS,CN1CCN(CC1)C1=NC2=C(NC3=C1C=C(C)S3)C=CC(O)=C2,"InChI=1S/C17H20N4OS/c1-11-9-13-16(21-7-5-20(2)6-8-21)18-15-10-12(22)3-4-14(15)19-17(13)23-11/h3-4,9-10,19,22H,5-8H2,1-2H3",SMNUCABXNXAPBY,UHFFFAOYSA,N,7-hydroxyolanzapine,SMNUCABXNXAPBY-UHFFFAOYSA-N
HMDB60959,298.125217286,C16H18N4S,CC1=CC2=C(NC3=CC=CC=C3N=C2N2CCNCC2)S1,"InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3",FHPIXVHJEIZKJW,UHFFFAOYSA,N,4'-N-desmethylolanzapine,FHPIXVHJEIZKJW-UHFFFAOYSA-N
HMDB60960,299.152143543,C18H21NO3,NCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1,"InChI=1S/C18H21NO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13,19H2",HIGKMVIPYOFHBP,UHFFFAOYSA,N,N-desalkylpropafenone,HIGKMVIPYOFHBP-UHFFFAOYSA-N
HMDB60961,217.110278729,C13H15NO2,NCC(O)COC1=CC=CC2=CC=CC=C12,"InChI=1S/C13H15NO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9,14H2",ZFMCITCRZXLMDJ,UHFFFAOYSA,N,N-desisopropylpropranolol,ZFMCITCRZXLMDJ-UHFFFAOYSA-N
HMDB60962,290.199428086,C17H26N2O2,CCCN1CCCC[C@@H]1C(O)=NC1=C(C)C=CC(O)=C1C,"InChI=1S/C17H26N2O2/c1-4-10-19-11-6-5-7-14(19)17(21)18-16-12(2)8-9-15(20)13(16)3/h8-9,14,20H,4-7,10-11H2,1-3H3,(H,18,21)/t14-/m1/s1",IXOVDWXTIIYVOJ,CQSZACIVSA,N,3-hydroxyropivacaine,IXOVDWXTIIYVOJ-CQSZACIVSA-N
HMDB60963,214.11061308,C13H14N2O,OC1CCCC2=C1C(=N)C1=CC=CC=C1N2,"InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)",HLVVITIHAZBPKB,UHFFFAOYSA,N,1-hydroxytacrine,HLVVITIHAZBPKB-UHFFFAOYSA-N
HMDB60964,253.018893678,C9H8ClN5S,ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1,"InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)",XFYDIVBRZNQMJC,UHFFFAOYSA,N,"5-Chloro-4-(2-imidazolin-4-on-2-ylamino)-2,1,3-benzothiazdiazole",XFYDIVBRZNQMJC-UHFFFAOYSA-N
HMDB60966,259.132076803,C14H17N3O2,NCCC1=CNC2=C1C=C(C[C@@H]1COC(O)=N1)C=C2,"InChI=1S/C14H17N3O2/c15-4-3-10-7-16-13-2-1-9(6-12(10)13)5-11-8-19-14(18)17-11/h1-2,6-7,11,16H,3-5,8,15H2,(H,17,18)/t11-/m1/s1",NKOBWHOGNBPTDO,LLVKDONJSA,N,norzolmitripan,NKOBWHOGNBPTDO-LLVKDONJSA-N
HMDB60967,204.089877638,C11H12N2O2,CC[C@]1(N=C(O)N=C1O)C1=CC=CC=C1,"InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)/t11-/m0/s1",UDTWZFJEMMUFLC,NSHDSACASA,N,S-nirvanol,UDTWZFJEMMUFLC-NSHDSACASA-N
HMDB60968,234.100442324,C12H14N2O3,CCC1(NC(=O)N(C)C1=O)C1=CC=C(O)C=C1,"InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)",OQPLORUDZLXXPD,UHFFFAOYSA,N,4'-hydroxymephenytoin,OQPLORUDZLXXPD-UHFFFAOYSA-N
HMDB60969,323.09377318,C17H14ClN5,NCC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C17H14ClN5/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)20-10-16-22-21-15(9-19)23(14)16/h1-8H,9-10,19H2",IITNCTOGXYNNRY,UHFFFAOYSA,N,desmethyladinazolam,IITNCTOGXYNNRY-UHFFFAOYSA-N
HMDB60970,286.050905313,C15H11ClN2O2,OC1=NC2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)C1,"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)",RRTVVRIFVKKTJK,UHFFFAOYSA,N,norclobazam,RRTVVRIFVKKTJK-UHFFFAOYSA-N
HMDB60971,385.070796634,C16H14F3N3O3S,CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC(O)=CC=C2N1,"InChI=1S/C16H14F3N3O3S/c1-9-13(20-5-4-14(9)25-8-16(17,18)19)7-26(24)15-21-11-3-2-10(23)6-12(11)22-15/h2-6,23H,7-8H2,1H3,(H,21,22)",IDCLTMRSSAXUNY,UHFFFAOYSA,N,5-hydroxylansoprazole,IDCLTMRSSAXUNY-UHFFFAOYSA-N
HMDB60972,268.08479226,C15H12N2O3,OC1=NC(C(O)=N1)(C1=CC=CC=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)",XEEDURHPFVXALT,UHFFFAOYSA,N,4'-HPPH,XEEDURHPFVXALT-UHFFFAOYSA-N
HMDB60973,330.219494826,C21H30O3,CC(=O)[C@@H]1CCC2C3C[C@H](O)C4=CC(=O)CC[C@@]4(C)C3CC[C@@]12C,"InChI=1S/C21H30O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19,24H,4-9,11H2,1-3H3/t14?,15-,16?,17?,19-,20-,21-/m0/s1",PWCLWZOSAFOXFL,GGSLZABMSA,N,6(beta)-hydroxyprogesterone,PWCLWZOSAFOXFL-GGSLZABMSA-N
HMDB60974,251.09377318,C11H14ClN5,CC1(C)NC(=N)NC(=N)N1C1=CC=C(Cl)C=C1,"InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)",QMNFFXRFOJIOKZ,UHFFFAOYSA,N,cycloguanil,QMNFFXRFOJIOKZ-UHFFFAOYSA-N
HMDB60975,286.050905313,C15H11ClN2O2,OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)",ADIMAYPTOBDMTL,UHFFFAOYSA,N,nortemazepam,ADIMAYPTOBDMTL-UHFFFAOYSA-N
HMDB60977,327.11383992,C18H18ClN3O,CCNCC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1,"InChI=1S/C18H18ClN3O/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17/h3-10,20,23H,2,11H2,1H3,(H,21,22)",VRXFDHAGFYWGHT,UHFFFAOYSA,N,desethylamodiaquine,VRXFDHAGFYWGHT-UHFFFAOYSA-N
HMDB60979,468.262422272,C27H36N2O5,CCOC1=C(C=CC(CC(O)=NC(CC(C)C)C2=CC=CC=C2N2CCCC(O)C2)=C1)C(O)=O,"InChI=1S/C27H36N2O5/c1-4-34-25-15-19(11-12-22(25)27(32)33)16-26(31)28-23(14-18(2)3)21-9-5-6-10-24(21)29-13-7-8-20(30)17-29/h5-6,9-12,15,18,20,23,30H,4,7-8,13-14,16-17H2,1-3H3,(H,28,31)(H,32,33)",OBMAZJVHPAVADF,UHFFFAOYSA,N,hydroxyrepaglinide,OBMAZJVHPAVADF-UHFFFAOYSA-N
HMDB60980,343.099062115,C17H17N3O3S,OC1=NC(=O)SC1CC1=CC=C(OCCNC2=CC=CC=N2)C=C1,"InChI=1S/C17H17N3O3S/c21-16-14(24-17(22)20-16)11-12-4-6-13(7-5-12)23-10-9-19-15-3-1-2-8-18-15/h1-8,14H,9-11H2,(H,18,19)(H,20,21,22)",ZJQTVMXUIGXRMR,UHFFFAOYSA,N,N-desmethylrosiglitazone,ZJQTVMXUIGXRMR-UHFFFAOYSA-N
HMDB60981,373.109626801,C18H19N3O4S,CN(CCOC1=CC=C(CC2SC(=O)N=C2O)C=C1)C1=NC=C(O)C=C1,"InChI=1S/C18H19N3O4S/c1-21(16-7-4-13(22)11-19-16)8-9-25-14-5-2-12(3-6-14)10-15-17(23)20-18(24)26-15/h2-7,11,15,22H,8-10H2,1H3,(H,20,23,24)",AGQGGZNSVNKGDU,UHFFFAOYSA,N,para-hydroxyrosiglitazone,AGQGGZNSVNKGDU-UHFFFAOYSA-N
HMDB60982,364.120525838,C16H20N4O4S,CC(C)N=C(O)NS(=O)(=O)C1=CNC=CC1=NC1=CC=CC(CO)=C1,"InChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22)",WCYVLAMJCQZUCR,UHFFFAOYSA,N,hydroxytorsemide,WCYVLAMJCQZUCR-UHFFFAOYSA-N
HMDB60983,404.099980769,C17H17ClN6O4,CN1(=O)CCN(CC1)C(=O)OC1N(C(=O)C2=C1N=CC=N2)C1=NC=C(Cl)C=C1,"InChI=1S/C17H17ClN6O4/c1-24(27)8-6-22(7-9-24)17(26)28-16-14-13(19-4-5-20-14)15(25)23(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3",IPTIKKTXLHVRKN,UHFFFAOYSA,N,zopiclone-N-oxide,IPTIKKTXLHVRKN-UHFFFAOYSA-N
HMDB60984,264.05686295,C12H12N2O3S,NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NO)C=C1,"InChI=1S/C12H12N2O3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-8,14-15H,13H2",IYDSJDWESCGRKW,UHFFFAOYSA,N,dapsone hydroxylamine,IYDSJDWESCGRKW-UHFFFAOYSA-N
HMDB60985,269.047026545,C10H11N3O4S,CC1=CC(NS(=O)(=O)C2=CC=C(NO)C=C2)=NO1,"InChI=1S/C10H11N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6,11,14H,1H3,(H,12,13)",MJAMPGKHIZXVFJ,UHFFFAOYSA,N,sulfamethoxazole hydroxylamine,MJAMPGKHIZXVFJ-UHFFFAOYSA-N
HMDB60986,591.203921115,C31H33N3O7S,COC1=C(CC2=CN(CO)C3=C2C=C(NC(=O)OC2CCCC2)C=C3)C=CC(=C1)C(=O)NS(=O)(=O)C1=CC=CC=C1C,"InChI=1S/C31H33N3O7S/c1-20-7-3-6-10-29(20)42(38,39)33-30(36)22-12-11-21(28(16-22)40-2)15-23-18-34(19-35)27-14-13-24(17-26(23)27)32-31(37)41-25-8-4-5-9-25/h3,6-7,10-14,16-18,25,35H,4-5,8-9,15,19H2,1-2H3,(H,32,37)(H,33,36)",HZAQOSFFIGVMDH,UHFFFAOYSA,N,Zafirlukast metabolite M5,HZAQOSFFIGVMDH-UHFFFAOYSA-N
HMDB60987,328.135781972,C17H20N4OS,CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(CO)S2,"InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3",FPDIERBPQFAFSI,UHFFFAOYSA,N,2-hydroxymethylolanzapine,FPDIERBPQFAFSI-UHFFFAOYSA-N
HMDB60988,357.194008357,C21H27NO4,CCCNCC(O)COC1=C(C=C(O)C=C1)C(=O)CCC1=CC=CC=C1,"InChI=1S/C21H27NO4/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3",LUTWDNUXHDYZRA,UHFFFAOYSA,N,5-hydroxypropafenone,LUTWDNUXHDYZRA-UHFFFAOYSA-N
HMDB60989,275.152143543,C16H21NO3,CC(C)NCC(O)COC1=CC=C(O)C2=CC=CC=C12,"InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3",CWEPACWBWIOYID,UHFFFAOYSA,N,4'-hydroxypropanolol,CWEPACWBWIOYID-UHFFFAOYSA-N
HMDB60990,308.173607266,C16H24N2O4,CC(C)(C)NCC(O)COC1=C2CCC(O)=NC2=C(O)C=C1,"InChI=1S/C16H24N2O4/c1-16(2,3)17-8-10(19)9-22-13-6-5-12(20)15-11(13)4-7-14(21)18-15/h5-6,10,17,19-20H,4,7-9H2,1-3H3,(H,18,21)",TVZJLAKRXHGVOK,UHFFFAOYSA,N,8-Hydroxycarteolol,TVZJLAKRXHGVOK-UHFFFAOYSA-N
HMDB60991,334.090661637,C17H19ClN2OS,CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=C(O)C=C2,"InChI=1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3",HICFFJZGXWEIHN,UHFFFAOYSA,N,hydroxychlorpromazine,HICFFJZGXWEIHN-UHFFFAOYSA-N
HMDB60992,282.173213336,C18H22N2O,CNCCCN1C2=CC=CC=C2CCC2=CC(O)=CC=C12,"InChI=1S/C18H22N2O/c1-19-11-4-12-20-17-6-3-2-5-14(17)7-8-15-13-16(21)9-10-18(15)20/h2-3,5-6,9-10,13,19,21H,4,7-8,11-12H2,1H3",NVJBOLMRGMDGLD,UHFFFAOYSA,N,2-hydroxydesipramine,NVJBOLMRGMDGLD-UHFFFAOYSA-N
HMDB60993,263.167399677,C19H21N,NCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21,"InChI=1S/C19H21N/c20-13-5-11-19-12-10-14(15-6-1-3-8-17(15)19)16-7-2-4-9-18(16)19/h1-4,6-9,14H,5,10-13,20H2",IFHUOEQJTQWFGJ,UHFFFAOYSA,N,demethylmaprotiline,IFHUOEQJTQWFGJ-UHFFFAOYSA-N
HMDB60994,283.178358293,C15H25NO4,COCC(O)C1=CC=C(OCC(O)CNC(C)C)C=C1,"InChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3",OFRYBPCSEMMZHR,UHFFFAOYSA,N,alpha-Hydroxymetoprolol,OFRYBPCSEMMZHR-UHFFFAOYSA-N
HMDB60995,286.168127958,C17H22N2O2,COC12C[C@@H](CO)CN(C)C1CC1=CNC3=CC=CC2=C13,"InChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3/t11-,15?,17?/m1/s1",JGQZSBLQHCTAJF,NFXPUDJFSA,N,"10-alpha-methoxy-9,10-dihydrolysergol",JGQZSBLQHCTAJF-NFXPUDJFSA-N
HMDB60996,293.173941617,C15H23N3O3,CCN(CC)CCN=C(O)C1=CC(O)=C(C=C1)N=C(C)O,"InChI=1S/C15H23N3O3/c1-4-18(5-2)9-8-16-15(21)12-6-7-13(14(20)10-12)17-11(3)19/h6-7,10,20H,4-5,8-9H2,1-3H3,(H,16,21)(H,17,19)",REELIONXYPAEGO,UHFFFAOYSA,N,N-Acetyl-3-hydroxyprocainamide,REELIONXYPAEGO-UHFFFAOYSA-N
HMDB60997,249.172878985,C15H23NO2,CN(C)CC1CCCCC1(O)C1=CC(O)=CC=C1,"InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3",UWJUQVWARXYRCG,UHFFFAOYSA,N,O-Desmethyltramadol,UWJUQVWARXYRCG-UHFFFAOYSA-N
HMDB60998,184.987970706,C7H4ClNO3,OC1=NC2=C(O1)C=C(O)C(Cl)=C2,"InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)",AGLXDWOTVQZHIQ,UHFFFAOYSA,N,6-hydroxychlorzoxazone,AGLXDWOTVQZHIQ-UHFFFAOYSA-N
HMDB60999,288.172544634,C18H24O3,CC12CCC3C(CCC4=C3C=CC(O)=C4O)C1CCC2O,"InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3",QOZFCKXEVSGWGS,UHFFFAOYSA,N,4-hydroxystradiol,QOZFCKXEVSGWGS-UHFFFAOYSA-N
HMDB61000,354.106095115,C21H18ClFNO,FC1=CC=C(C=C1)C(=O)CCCN1C=CC(C=C1)=C1C=CC(=[Cl+])C=C1,"InChI=1S/C21H18ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15H,1-2,13H2/q+1",KAPIKUHBALFONG,UHFFFAOYSA,N,4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-pyridinium (HPP+),KAPIKUHBALFONG-UHFFFAOYSA-N
HMDB61002,291.058154899,C16H15Cl2N,NC1CCC(C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12,"InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2",SRPXSILJHWNFMK,UHFFFAOYSA,N,norsertraline,SRPXSILJHWNFMK-UHFFFAOYSA-N
HMDB61003,353.08096739,C16H14F3N3OS,CSN1C2=CC=CC=C2N=C1C1=NC=CC(OCC(F)(F)F)=C1C,"InChI=1S/C16H14F3N3OS/c1-10-13(23-9-16(17,18)19)7-8-20-14(10)15-21-11-5-3-4-6-12(11)22(15)24-2/h3-8H,9H2,1-2H3",RZSYMONMXLYBMJ,UHFFFAOYSA,N,lansoprazole sulfide,RZSYMONMXLYBMJ-UHFFFAOYSA-N
HMDB61004,330.219494826,C21H30O3,CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C21H30O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19,24H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19+,20+,21+/m0/s1",PWCLWZOSAFOXFL,CXICGXRGSA,N,6-beta-hydroxyprogesterone,PWCLWZOSAFOXFL-CXICGXRGSA-N
HMDB61005,384.204907394,C22H28N2O4,CCOC1=C(C=CC(CC(O)=NC(CC(C)C)C2=CC=CC=C2N)=C1)C(O)=O,"InChI=1S/C22H28N2O4/c1-4-28-20-12-15(9-10-17(20)22(26)27)13-21(25)24-19(11-14(2)3)16-7-5-6-8-18(16)23/h5-10,12,14,19H,4,11,13,23H2,1-3H3,(H,24,25)(H,26,27)",OSCVKZCOJUTUFD,UHFFFAOYSA,N,repaglinide aromatic amine,OSCVKZCOJUTUFD-UHFFFAOYSA-N
HMDB61006,232.157563272,C14H20N2O,CCC(=O)N(C1CCNCC1)C1=CC=CC=C1,"InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3",PMCBDBWCQQBSRJ,UHFFFAOYSA,N,norfentanyl,PMCBDBWCQQBSRJ-UHFFFAOYSA-N
HMDB61007,249.172878985,C15H23NO2,CNCC1CCCCC1(O)C1=CC(OC)=CC=C1,"InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3",VUMQHLSPUAFKKK,UHFFFAOYSA,N,N-Desmethyltramadol,VUMQHLSPUAFKKK-UHFFFAOYSA-N
HMDB61008,196.076726133,C10H13ClN2,ClC1=CC(=CC=C1)N1CCNCC1,"InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2",VHFVKMTVMIZMIK,UHFFFAOYSA,N,m-chlorophenylpiperazine (m-CPP),VHFVKMTVMIZMIK-UHFFFAOYSA-N
HMDB61009,267.121906047,C12H17N3O4,CC1=C(N)C(C)=C(C(=C1N(=O)=O)C(C)(C)C)N(=O)=O,"InChI=1S/C12H17N3O4/c1-6-9(13)7(2)11(15(18)19)8(12(3,4)5)10(6)14(16)17/h13H2,1-5H3",PWFQZSWKBRPKJI,UHFFFAOYSA,N,4-amino-MX,PWFQZSWKBRPKJI-UHFFFAOYSA-N
HMDB61010,276.183778022,C16H24N2O2,CCC(=O)N(C1=CC=CC=C1)C1(COC)CCNCC1,"InChI=1S/C16H24N2O2/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h4-8,17H,3,9-13H2,1-2H3",ULOZGJWEIWAWML,UHFFFAOYSA,N,Noralfentanil,ULOZGJWEIWAWML-UHFFFAOYSA-N
HMDB61011,321.151097685,C16H23N3O2S,CNCCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2,"InChI=1S/C16H23N3O2S/c1-17-7-6-14-11-18-16-5-4-13(10-15(14)16)12-22(20,21)19-8-2-3-9-19/h4-5,10-11,17-18H,2-3,6-9,12H2,1H3",IREINZNGILEJRP,UHFFFAOYSA,N,N-desmethylalmotriptan,IREINZNGILEJRP-UHFFFAOYSA-N
HMDB61012,437.12257626,C20H18F7NO2,C[C@@H](O[C@H]1OCCN[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C20H18F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18,28H,6-7H2,1H3/t11-,17+,18-/m1/s1",AFBDSAJOMZYQAI,CNOZUTPLSA,N,"(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine",AFBDSAJOMZYQAI-CNOZUTPLSA-N
HMDB61013,444.232539775,C27H29FN4O,OC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1,"InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)",LAGYWHSFHIMTPE,UHFFFAOYSA,N,desmethylastemizole,LAGYWHSFHIMTPE-UHFFFAOYSA-N
HMDB61014,574.247915067,C33H35FN2O6,CC(C)C1=C(C(=O)NC2=CC=C(O)C=C2)C(=C(N1CCC(O)CC(O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1,"InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)",SOZOATLLFFVAPM,UHFFFAOYSA,N,<i>para</i>-hydroxyatorvastatin,SOZOATLLFFVAPM-UHFFFAOYSA-N
HMDB61015,574.247915067,C33H35FN2O6,CC(C)C1=C(C(O)=NC2=CC=CC=C2O)C(=C(N1CCC(O)CC(O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1,"InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)",CZBPKFICAYVHHM,UHFFFAOYSA,N,<i>ortho</i>-hydroxyatorvastatin,CZBPKFICAYVHHM-UHFFFAOYSA-N
HMDB61016,376.188588628,C21H28O6,C[C@@]12C[C@@H](O)C3C(CCC4=CC(=O)C=C[C@@]34C)C1C[C@H](O)[C@@]2(O)C(=O)CO,"InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13?,14?,15-,16+,18?,19-,20-,21-/m1/s1",SEKYBDYVXDAYPY,ASPHUSNLSA,N,16&alpha;-hydroxyprednisolone,SEKYBDYVXDAYPY-ASPHUSNLSA-N
HMDB61017,164.106196404,C8H12N4,C1CN(CCN1)C1=NC=CC=N1,"InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2",MRBFGEHILMYPTF,UHFFFAOYSA,N,1-Pyrimidinylpiperazine,MRBFGEHILMYPTF-UHFFFAOYSA-N
HMDB61018,313.119319228,C14H20ClN3O3,CO[C@H]1CNCC[C@H]1N=C(O)C1=C(OC)C=C(N)C(Cl)=C1,"InChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)/t11-,13+/m1/s1",OMLDMGPCWMBPAN,YPMHNXCESA,N,norcisapride,OMLDMGPCWMBPAN-YPMHNXCESA-N
HMDB61019,763.471805921,C38H69NO14,CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@H](OC(=O)[C@@H]2C)C(C)O)OC)O[C@@H](C)[C@@H]1O,"InChI=1S/C38H69NO14/c1-18-16-37(9,48-14)32(53-35-28(42)25(39(11)12)15-19(2)49-35)21(4)29(51-26-17-36(8,47-13)31(44)24(7)50-26)22(5)34(45)52-33(23(6)40)38(10,46)30(43)20(3)27(18)41/h18-26,28-33,35,40,42-44,46H,15-17H2,1-14H3/t18-,19-,20+,21+,22-,23?,24+,25+,26+,28-,29+,30-,31+,32-,33-,35+,36-,37-,38+/m1/s1",BLPFDXNVUDZBII,KNPZYKNQSA,N,14-hydroxyclarithromycin,BLPFDXNVUDZBII-KNPZYKNQSA-N
HMDB61020,733.461241235,C37H67NO13,CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)C(C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](NC)[C@@H]2O)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC,"InChI=1S/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3/t18-,19+,20+,21?,22-,23-,24-,25-,26-,28+,29-,30-,31-,32+,34-,35+,36+,37-/m1/s1",CIJTVUQEURKBDL,ZVGWNXEOSA,N,N-desmethylclarithromycin,CIJTVUQEURKBDL-ZVGWNXEOSA-N
HMDB61021,414.14740929,C19H22N6O3S,CS(=O)(=O)NC1=CC=C2NC(=CC2=C1)C(=O)N1CCN(CC1)C1=C(N)C=CC=N1,"InChI=1S/C19H22N6O3S/c1-29(27,28)23-14-4-5-16-13(11-14)12-17(22-16)19(26)25-9-7-24(8-10-25)18-15(20)3-2-6-21-18/h2-6,11-12,22-23H,7-10,20H2,1H3",MTEFFPTUUPAKOV,UHFFFAOYSA,N,N-desalkyl delavirdine,MTEFFPTUUPAKOV-UHFFFAOYSA-N
HMDB61022,408.194816865,C22H29FO6,C[C@@H]1CC2C3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1S/C22H29FO6/c1-11-6-13-14-8-16(26)15-7-12(25)4-5-19(15,2)21(14,23)17(27)9-20(13,3)22(11,29)18(28)10-24/h4-5,7,11,13-14,16-17,24,26-27,29H,6,8-10H2,1-3H3/t11-,13?,14?,16-,17+,19+,20+,21+,22+/m1/s1",RVBSTEHLLHXILB,NFERVAMVSA,N,6-beta-hydroxydexamethasone,RVBSTEHLLHXILB-NFERVAMVSA-N
HMDB61023,400.145677956,C21H24N2O4S,CNCCN1C2=CC=CC=C2SC([C@@H](OC(C)=O)C1=O)C1=CC=C(OC)C=C1,"InChI=1S/C21H24N2O4S/c1-14(24)27-19-20(15-8-10-16(26-3)11-9-15)28-18-7-5-4-6-17(18)23(21(19)25)13-12-22-2/h4-11,19-20,22H,12-13H2,1-3H3/t19-,20?/m1/s1",YOMLDISQSWWYOT,FIWHBWSRSA,N,N-Desmethyldiltiazem,YOMLDISQSWWYOT-FIWHBWSRSA-N
HMDB61024,297.184112373,C18H23N3O,CC(C)NCCC(C(O)=N)(C1=CC=CC=C1)C1=CC=CC=N1,"InChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)",UWNSWIXIVDMCHZ,UHFFFAOYSA,N,mono-isopropyl-disopyramide,UWNSWIXIVDMCHZ-UHFFFAOYSA-N
HMDB61025,251.082539792,C12H14ClN3O,OC1=NC2=C(C=CC(Cl)=C2)N1C1CCNCC1,"InChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)",DOAYWDKFDPSTSV,UHFFFAOYSA,N,"5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one",DOAYWDKFDPSTSV-UHFFFAOYSA-N
HMDB61026,705.429941107,C35H63NO13,CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N)[C@@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@@]1(C)O,"InChI=1S/C35H63NO13/c1-12-23-35(10,43)28(39)18(4)25(37)16(2)14-33(8,42)30(49-32-26(38)22(36)13-17(3)45-32)19(5)27(20(6)31(41)47-23)48-24-15-34(9,44-11)29(40)21(7)46-24/h16-24,26-30,32,38-40,42-43H,12-15,36H2,1-11H3/t16-,17-,18-,19-,20+,21+,22+,23-,24+,26-,27+,28-,29+,30-,32+,33-,34-,35-/m0/s1",NAZBWJMUFFNFTC,RDEJFGNWSA,N,norerythromycin,NAZBWJMUFFNFTC-RDEJFGNWSA-N
HMDB61027,312.172544634,C20H24O3,CC12CCC3C(CCC4=CC(O)=C(O)C=C34)C1CC[C@@]2(O)C#C,"InChI=1S/C20H24O3/c1-3-20(23)9-7-16-14-5-4-12-10-17(21)18(22)11-15(12)13(14)6-8-19(16,20)2/h1,10-11,13-14,16,21-23H,4-9H2,2H3/t13?,14?,16?,19?,20-/m0/s1",KQJCDKMHNQVWDV,GJRSTEQNSA,N,2-hydroxyethinylestradiol,KQJCDKMHNQVWDV-GJRSTEQNSA-N
HMDB61028,574.168641046,C28H30O13,COC1=CC(=CC(O)=C1O)[C@@H]1C2C(COC2=O)[C@@H](OC2OC3CO[C@@H](C)OC3[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12,"InChI=1S/C28H30O13/c1-10-35-8-19-26(39-10)23(31)24(32)28(40-19)41-25-13-6-17-16(37-9-38-17)5-12(13)20(21-14(25)7-36-27(21)33)11-3-15(29)22(30)18(4-11)34-2/h3-6,10,14,19-21,23-26,28-32H,7-9H2,1-2H3/t10-,14?,19?,20+,21?,23-,24-,25+,26?,28?/m1/s1",CYOJPLOJEPTJMM,RCQFJHMNSA,N,3'-demethyletoposide,CYOJPLOJEPTJMM-RCQFJHMNSA-N
HMDB61029,381.053463451,C18H17Cl2NO4,CCOC(=O)C1=C(C)N=C(C)C(C(=O)OC)=C1C1=C(Cl)C(Cl)=CC=C1,"InChI=1S/C18H17Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8H,5H2,1-4H3",REQRUBNOOIAHMG,UHFFFAOYSA,N,dehydrofelodipine,REQRUBNOOIAHMG-UHFFFAOYSA-N
HMDB61030,374.256942964,C22H34N2O3,CC(C)(O)N=C(O)C1CCC2C3CCC4N=C(O)C=CC4(C)C3CCC12C,"InChI=1S/C22H34N2O3/c1-20(2,27)24-19(26)16-7-6-14-13-5-8-17-22(4,12-10-18(25)23-17)15(13)9-11-21(14,16)3/h10,12-17,27H,5-9,11H2,1-4H3,(H,23,25)(H,24,26)",LVMYOUOJYSDZSC,UHFFFAOYSA,N,omega-hydroxyfinasteride,LVMYOUOJYSDZSC-UHFFFAOYSA-N
HMDB61031,509.13873404,C23H28ClN3O6S,COC1=C(C=C(Cl)C=C1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@H]1CC[C@H](O)CC1,"InChI=1S/C23H28ClN3O6S/c1-33-21-11-4-16(24)14-20(21)22(29)25-13-12-15-2-9-19(10-3-15)34(31,32)27-23(30)26-17-5-7-18(28)8-6-17/h2-4,9-11,14,17-18,28H,5-8,12-13H2,1H3,(H,25,29)(H2,26,27,30)/t17-,18-",IUWSGCQEWOOQDN,IYARVYRRSA,N,4-trans-hydroxyglyburide,IUWSGCQEWOOQDN-IYARVYRRSA-N
HMDB61032,443.10305436,C22H22Cl2F3NO,CCCCNCCC(O)C1=C2C=CC(=CC2=C2C=C(Cl)C=C(Cl)C2=C1)C(F)(F)F,"InChI=1S/C22H22Cl2F3NO/c1-2-3-7-28-8-6-21(29)19-12-18-17(10-14(23)11-20(18)24)16-9-13(22(25,26)27)4-5-15(16)19/h4-5,9-12,21,28-29H,2-3,6-8H2,1H3",FYHCHSNOXWVJJT,UHFFFAOYSA,N,N-debutylhalofantrine,FYHCHSNOXWVJJT-UHFFFAOYSA-N
HMDB61033,378.204238692,C21H30O6,C[C@]12C[C@H](O)C3C(C[C@@H](O)C4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO,"InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12?,13?,15-,16+,18?,19+,20+,21+/m1/s1",GNFTWPCIRXSCQF,ZWJNAVLBSA,N,6-beta-hydrocortisol,GNFTWPCIRXSCQF-ZWJNAVLBSA-N
HMDB61034,522.320605852,C30H42N4O4,CC(C)(C)N=C(O)[C@H]1CNCCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(O)=N[C@H]1[C@@H](O)CC2=CC=CC=C12,"InChI=1S/C30H42N4O4/c1-30(2,3)33-29(38)25-18-31-13-14-34(25)19-23(35)16-22(15-20-9-5-4-6-10-20)28(37)32-27-24-12-8-7-11-21(24)17-26(27)36/h4-12,22-23,25-27,31,35-36H,13-19H2,1-3H3,(H,32,37)(H,33,38)/t22-,23+,25-,26+,27-/m1/s1",MKMGKCALCCOODL,GVPWJHIJSA,N,Metabolite M6,MKMGKCALCCOODL-GVPWJHIJSA-N
HMDB61035,720.23422178,C35H38Cl2N8O5,CC(O)C(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C35H38Cl2N8O5/c1-24(25(2)46)45-34(47)44(23-40-45)29-6-4-27(5-7-29)41-13-15-42(16-14-41)28-8-10-30(11-9-28)48-18-31-19-49-35(50-31,20-43-22-38-21-39-43)32-12-3-26(36)17-33(32)37/h3-12,17,21-25,31,46H,13-16,18-20H2,1-2H3",ISJVOEOJQLKSJU,UHFFFAOYSA,N,hydroxyitraconazole,ISJVOEOJQLKSJU-UHFFFAOYSA-N
HMDB61036,339.219829177,C22H29NO2,CCC(OC(C)=O)C(CC(C)NC)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3",VWCUGCYZZGRKEE,UHFFFAOYSA,N,noracymethadol,VWCUGCYZZGRKEE-UHFFFAOYSA-N
HMDB61037,234.079312952,C15H10N2O,OC(C1=CC=C(C=C1)C#N)C1=CC=C(C=C1)C#N,"InChI=1S/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H",JNJWXPZHWUOYRZ,UHFFFAOYSA,N,"4,4'-methanol-bisbenzonitrile",JNJWXPZHWUOYRZ-UHFFFAOYSA-N
HMDB61039,274.066365004,C15H14O3S,OC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H14O3S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)",QARQPIWTMBRJFX,UHFFFAOYSA,N,modafinil acid,QARQPIWTMBRJFX-UHFFFAOYSA-N
HMDB61040,485.219367622,C25H32ClN5O3,CC(O)C1=NN(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)C(=O)N1CCOC1=CC=CC=C1,"InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)17-18-34-23-9-3-2-4-10-23)12-6-11-28-13-15-29(16-14-28)22-8-5-7-21(26)19-22/h2-5,7-10,19-20,32H,6,11-18H2,1H3",VKGQYGXMUUBRBD,UHFFFAOYSA,N,hydroxynefazodone,VKGQYGXMUUBRBD-UHFFFAOYSA-N
HMDB61041,344.100836254,C17H16N2O6,COC(=O)C1=C(C2=CC=CC=C2N(=O)=O)C(C(=O)OC)=C(C)N=C1C,"InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3",UMQHJQGNGLQJPF,UHFFFAOYSA,N,dehydronifedipine,UMQHJQGNGLQJPF-UHFFFAOYSA-N
HMDB61042,329.199093735,C20H27NO3,CCNCC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C20H27NO3/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3",SNIBJKHIKIIGPR,UHFFFAOYSA,N,N-desethyloxybutynin,SNIBJKHIKIIGPR-UHFFFAOYSA-N
HMDB61043,832.425858782,C45H60N4O11,CC(C)CN1CCC2(CC1)NC1=C3N=C(O)\C(C)=C/C=C\[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)\C=C/O[C@@]4(C)OC5=C(C4=O)C(C1=N2)=C(C(O)=C5C)C3=O,"InChI=1S/C45H60N4O11/c1-21(2)20-49-17-15-45(16-18-49)47-33-30-31-38(54)27(8)41-32(30)42(56)44(10,60-41)58-19-14-29(51)24(5)40(59-28(9)50)26(7)37(53)25(6)36(52)22(3)12-11-13-23(4)43(57)46-35(39(31)55)34(33)48-45/h11-14,19,21-22,24-26,29,36-37,40,48,51-54H,15-18,20H2,1-10H3,(H,46,57)/b12-11-,19-14-,23-13-/t22-,24-,25+,26-,29-,36+,37+,40+,44+/m1/s1",BZRNSFHHZZYSST,VBSJQSPRSA,N,27-O-demethylrifabutin,BZRNSFHHZZYSST-VBSJQSPRSA-N
HMDB61044,736.307674678,C37H48N6O6S2,CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)(C)O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1,"InChI=1S/C37H48N6O6S2/c1-24(2)32(42-35(46)43(5)20-28-22-50-34(40-28)37(3,4)48)33(45)39-27(16-25-12-8-6-9-13-25)18-31(44)30(17-26-14-10-7-11-15-26)41-36(47)49-21-29-19-38-23-51-29/h6-15,19,22-24,27,30-32,44,48H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t27-,30-,31-,32-/m0/s1",CLEDZMPJHBBTNZ,QJANCWQKSA,N,Hydroxy Ritonavir,CLEDZMPJHBBTNZ-QJANCWQKSA-N
HMDB61045,431.267173299,C25H37NO5,OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCC(O)C1=CC=CC=C1,"InChI=1S/C25H37NO5/c27-19-22-17-21(12-13-24(22)29)25(30)18-26-14-6-1-2-7-15-31-16-8-11-23(28)20-9-4-3-5-10-20/h3-5,9-10,12-13,17,23,25-30H,1-2,6-8,11,14-16,18-19H2",PGRMEHUQIPZHKM,UHFFFAOYSA,N,alpha-hydroxysalmeterol,PGRMEHUQIPZHKM-UHFFFAOYSA-N
HMDB61046,425.211469982,C24H28FN3O3,CN=C(O)C(O)C1=CC2=C(C=CN2C2CCN(CCC3=CC=CC=C3F)CC2)C(O)=C1,"InChI=1S/C24H28FN3O3/c1-26-24(31)23(30)17-14-21-19(22(29)15-17)9-13-28(21)18-7-11-27(12-8-18)10-6-16-4-2-3-5-20(16)25/h2-5,9,13-15,18,23,29-30H,6-8,10-12H2,1H3,(H,26,31)",KMSSEFLPBNDJAH,UHFFFAOYSA,N,M2 di-hydroxylated metabolite,KMSSEFLPBNDJAH-UHFFFAOYSA-N
HMDB61047,436.282489012,C25H40O6,CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12,"InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1",XWLXKKNPFMNSFA,HGQWONQESA,N,simvastatin hydroxy acid,XWLXKKNPFMNSFA-HGQWONQESA-N
HMDB61048,899.539491555,C50H77NO13,[H][C@@]12CC[C@@H](C)C(O)(O1)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CC(=O)[C@@H](C)\C=C(C)/[C@@H](O)[C@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C/C=C\C=C(C)/[C@H](C2)OC)[C@H](C)C[C@H]1CC[C@H](O)[C@@H](O)C1,"InChI=1S/C50H77NO13/c1-29-15-11-10-12-16-30(2)42(61-8)27-37-20-18-35(7)50(60,64-37)47(57)48(58)51-22-14-13-17-38(51)49(59)63-43(32(4)25-36-19-21-39(52)41(54)26-36)28-40(53)31(3)24-34(6)45(56)46(62-9)44(55)33(5)23-29/h10-12,15-16,24,29,31-33,35-39,41-43,45-46,52,54,56,60H,13-14,17-23,25-28H2,1-9H3/b12-10-,15-11-,30-16-,34-24-/t29-,31+,32-,33-,35-,36-,37+,38+,39+,41+,42+,43+,45-,46-,50?/m1/s1",RGRYVHKBWYXMGM,XMALXIMISA,N,41-O-demethylrapamycin,RGRYVHKBWYXMGM-XMALXIMISA-N
HMDB61049,789.466326613,C43H67NO12,[H][C@]12OC(O)(C(C)CC1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(C(C)C(O)CC(=O)C(CC=C)\C=C(C)/CC(C)C[C@@H]2OC)C(\C)=C\C1CC[C@H](O)C(O)C1,"InChI=1S/C43H67NO12/c1-9-12-30-18-24(2)17-25(3)19-36(53-7)39-37(54-8)21-27(5)43(52,56-39)40(49)41(50)44-16-11-10-13-31(44)42(51)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(48)22-29/h9,18,20,25,27-33,35-39,45-46,48,52H,1,10-17,19,21-23H2,2-8H3/b24-18-,26-20+/t25?,27?,28?,29?,30?,31?,32-,33?,35?,36-,37?,38?,39+,43?/m0/s1",VHOPGJHKSPGXIZ,BDWLBPCDSA,N,31-O-Demethyltacrolimus,VHOPGJHKSPGXIZ-BDWLBPCDSA-N
HMDB61051,391.170292166,C25H26ClNO,CNCCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1,"InChI=1S/C25H26ClNO/c1-27-18-19-28-23-14-12-22(13-15-23)25(21-10-6-3-7-11-21)24(16-17-26)20-8-4-2-5-9-20/h2-15,27H,16-19H2,1H3/b25-24-",WKJKBQYEFAFHCY,IZHYLOQSSA,N,N-desmethyltoremifene,WKJKBQYEFAFHCY-IZHYLOQSSA-N
HMDB61052,358.03881644,C17H12Cl2N4O,CC1=NN=C2C(O)N=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C17H12Cl2N4O/c1-9-21-22-16-17(24)20-15(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)23(9)16/h2-8,17,24H,1H3",YUQRFPYHTPARRM,UHFFFAOYSA,N,4-hydroxytriazolam,YUQRFPYHTPARRM-UHFFFAOYSA-N
HMDB61053,358.03881644,C17H12Cl2N4O,OCC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2",BHUYWUDMVCLHND,UHFFFAOYSA,N,1'-hydroxytriazolam,BHUYWUDMVCLHND-UHFFFAOYSA-N
HMDB61054,768.409814788,C44H56N4O8,[H][C@]12CN(C[C@](O)(CC)C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=C(OC)C=C2N(C)[C@@H]3C4(CCN5CC=C[C@](CC)([C@@H]45)[C@@H](O)[C@]3(O)C(=O)OC)C2=C1,"InChI=1S/C44H56N4O8/c1-7-40(52)22-26-23-43(38(50)55-5,34-28(14-18-47(24-26)25-40)27-12-9-10-13-31(27)45-34)30-20-29-32(21-33(30)54-4)46(3)36-42(29)16-19-48-17-11-15-41(8-2,35(42)48)37(49)44(36,53)39(51)56-6/h9-13,15,20-21,26,35-37,45,49,52-53H,7-8,14,16-19,22-25H2,1-6H3/t26-,35-,36+,37+,40-,41+,42?,43-,44-/m0/s1",NDMPLJNOPCLANR,CYJJREDESA,N,Desacetylvinblastine,NDMPLJNOPCLANR-CYJJREDESA-N
HMDB61055,263.117095441,C15H13N5,CCNC1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N,"InChI=1S/C15H13N5/c1-2-17-13-5-3-4-11(8-13)14-6-7-18-15-12(9-16)10-19-20(14)15/h3-8,10,17H,2H2,1H3",QIBDHPGCTQWVTR,UHFFFAOYSA,N,desethylzaleplon,QIBDHPGCTQWVTR-UHFFFAOYSA-N
HMDB61056,219.083018121,C11H13N3S,C1CN(CCN1)C1=NSC2=C1C=CC=C2,"InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2",KRDOFMHJLWKXIU,UHFFFAOYSA,N,benzisothiazole piperazine,KRDOFMHJLWKXIU-UHFFFAOYSA-N
HMDB61057,768.409814788,C44H56N4O8,[H][C@]12CN(C[C@](O)(CC)C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=C(OC)C=C2N(C)[C@@H]3C4(CCN5CC=C[C@](CC)([C@@H]45)[C@@H](O)[C@]3(O)C(=O)OC)C2=C1,"InChI=1S/C44H56N4O8/c1-7-40(52)22-26-23-43(38(50)55-5,34-28(14-18-47(24-26)25-40)27-12-9-10-13-31(27)45-34)30-20-29-32(21-33(30)54-4)46(3)36-42(29)16-19-48-17-11-15-41(8-2,35(42)48)37(49)44(36,53)39(51)56-6/h9-13,15,20-21,26,35-37,45,49,52-53H,7-8,14,16-19,22-25H2,1-6H3/t26-,35-,36+,37+,40-,41+,42?,43-,44-/m0/s1",NDMPLJNOPCLANR,CYJJREDESA,N,2-sulfamoylacetylphenol,NDMPLJNOPCLANR-CYJJREDESA-N
HMDB61058,207.064391169,C9H9N3O3,OC(=O)CCN1N=C2C=CC=CN2C1=O,"InChI=1S/C9H9N3O3/c13-8(14)4-6-12-9(15)11-5-2-1-3-7(11)10-12/h1-3,5H,4,6H2,(H,13,14)",DXVGDKXFBVHCCE,UHFFFAOYSA,N,triazolopropionic acid,DXVGDKXFBVHCCE-UHFFFAOYSA-N
HMDB61059,387.14620268,C19H22ClN5O2,ClC1=CC(=CC=C1)N1CCN(CCCN2N=C3C4OC4C=CN3C2=O)CC1,"InChI=1S/C19H22ClN5O2/c20-14-3-1-4-15(13-14)23-11-9-22(10-12-23)6-2-7-25-19(26)24-8-5-16-17(27-16)18(24)21-25/h1,3-5,8,13,16-17H,2,6-7,9-12H2",QFERKVDPWYTEPE,UHFFFAOYSA,N,triazolopyridinone epoxide,QFERKVDPWYTEPE-UHFFFAOYSA-N
HMDB61060,387.14620268,C19H22ClN5O2,OC1=C(Cl)C=C(C=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1,"InChI=1S/C19H22ClN5O2/c20-16-14-15(5-6-17(16)26)23-12-10-22(11-13-23)7-3-9-25-19(27)24-8-2-1-4-18(24)21-25/h1-2,4-6,8,14,26H,3,7,9-13H2",FNUZSRSXQFIOPL,UHFFFAOYSA,N,4'-hydroxytrazodone,FNUZSRSXQFIOPL-UHFFFAOYSA-N
HMDB61061,298.179361346,C17H22N4O,[H][C@]12CCC[C@]([H])(C[C@@H](C1)NC(=O)C1=NNC3=CC=CC=C13)N2C,"InChI=1S/C17H22N4O/c1-21-12-5-4-6-13(21)10-11(9-12)18-17(22)16-14-7-2-3-8-15(14)19-20-16/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,20)/t11-,12+,13-",GHVQAOGYNZNTIA,CLLJXQQHSA,N,9'-desmethylgranisetron,GHVQAOGYNZNTIA-CLLJXQQHSA-N
HMDB61062,328.189926032,C18H24N4O2,[H][C@]12CCC[C@@]([H])(CC(C1)N=C(O)C1=NN(C)C3=C1C=CC=C3O)N2C,"InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t12-,13-/m0/s1",AJEBHUMZPBDLQF,STQMWFEESA,N,7-hydroxygranisetron,AJEBHUMZPBDLQF-STQMWFEESA-N
HMDB61063,360.230059512,C22H32O4,CC(=O)[C@@]1(O)CCC2C3C[C@@](C)(O)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C,"InChI=1S/C22H32O4/c1-13(23)22(26)10-7-17-15-12-21(4,25)18-11-14(24)5-8-19(18,2)16(15)6-9-20(17,22)3/h11,15-17,25-26H,5-10,12H2,1-4H3/t15?,16?,17?,19-,20+,21-,22+/m1/s1",KQYLOJBPZSTTRA,DLUZLJMTSA,N,6-beta-hydroxymedroxyprogesterone,KQYLOJBPZSTTRA-DLUZLJMTSA-N
HMDB61064,360.230059512,C22H32O4,C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)C[C@H](O)C(=O)C=C12,"InChI=1S/C22H32O4/c1-12-9-14-15(20(3)11-19(25)18(24)10-17(12)20)5-7-21(4)16(14)6-8-22(21,26)13(2)23/h10,12,14-16,19,25-26H,5-9,11H2,1-4H3/t12-,14?,15?,16?,19-,20+,21-,22-/m0/s1",BGEJDLFWYUUIAP,CFHVOHOGSA,N,2-beta-hydroxymedroxyprogesterone,BGEJDLFWYUUIAP-CFHVOHOGSA-N
HMDB61065,360.230059512,C22H32O4,C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)[C@H](O)CC(=O)C=C12,"InChI=1S/C22H32O4/c1-12-9-15-16-6-8-22(26,13(2)23)20(16,3)7-5-17(15)21(4)18(12)10-14(24)11-19(21)25/h10,12,15-17,19,25-26H,5-9,11H2,1-4H3/t12-,15?,16?,17?,19+,20-,21+,22-/m0/s1",KTYQBYVMFWLJBV,FEJNQOGGSA,N,1-beta-hydroxymedroxyprogesterone,KTYQBYVMFWLJBV-FEJNQOGGSA-N
HMDB61067,284.099493583,C10H14N5O5,OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1[CH]NC2=C1NC(=N)N=C2O,"InChI=1S/C10H14N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,12,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6+,9-/m1/s1",JEPAHPFDUXQBAO,FJFJXFQQSA,N,arabinofuranosylguanine,JEPAHPFDUXQBAO-FJFJXFQQSA-N
HMDB61068,292.061668289,C10H10N7O2S,CN1C=NC(=C1[S+](C)C1=NC=NC2=C1N=CN2)N(=O)=O,"InChI=1S/C10H10N7O2S/c1-16-5-15-8(17(18)19)10(16)20(2)9-6-7(12-3-11-6)13-4-14-9/h3-5H,1-2H3,(H,11,12,13,14)/q+1",CAGKKYGOGIIIDP,UHFFFAOYSA,N,S-methylazathioprine,CAGKKYGOGIIIDP-UHFFFAOYSA-N
HMDB61069,383.019775565,C10H12ClFN5O6P,NC1=C2N=CN([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3F)C2=NC(Cl)=N1,"InChI=1S/C10H12ClFN5O6P/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(18)3(23-9)1-22-24(19,20)21/h2-4,6,9,18H,1H2,(H2,13,15,16)(H2,19,20,21)/t3-,4-,6-,9-/m0/s1",JEJRVFQHFJDNJN,CQOARYKOSA,N,clofarabind-5'-monophosphate,JEJRVFQHFJDNJN-CQOARYKOSA-N
HMDB61070,285.136493479,C17H19NO3,[H][C@]12CC3=C4C(O[C@@H]5C(=O)CC[C@H]1[C@]45CCN2)=C(OC)C=C3,"InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2,5,10-11,16,18H,3-4,6-8H2,1H3/t10-,11+,16-,17-/m1/s1",JGORUXKMRLIJSV,ZWUPXRALSA,N,norhydrocodone,JGORUXKMRLIJSV-ZWUPXRALSA-N
HMDB61071,405.147074939,C18H23N5O4S,CCCOC1=C(C=C(C=C1)S(N)(=O)=O)C1=NC2=C(N(C)N=C2CCC)C(=O)N1,"InChI=1S/C18H23N5O4S/c1-4-6-13-15-16(23(3)22-13)18(24)21-17(20-15)12-10-11(28(19,25)26)7-8-14(12)27-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H2,19,25,26)(H,20,21,24)",WQAFYWMRZOZKJD,UHFFFAOYSA,N,N-desalkyludenafil,WQAFYWMRZOZKJD-UHFFFAOYSA-N
HMDB61072,404.099980769,C17H17ClN6O4,CN1(=O)CCN(CC1)C(=O)OC1N(C(=O)C2=C1N=CC=N2)C1=NC=C(Cl)C=C1,"InChI=1S/C17H17ClN6O4/c1-24(27)8-6-22(7-9-24)17(26)28-16-14-13(19-4-5-20-14)15(25)23(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3",IPTIKKTXLHVRKN,UHFFFAOYSA,N,nopiclone N-oxide,IPTIKKTXLHVRKN-UHFFFAOYSA-N
HMDB61073,287.115758037,C16H17NO4,[H][C@@]12CC3=C4C(O[C@H]5C(=O)CC[C@]1(O)[C@@]45CCN2)=C(O)C=C3,"InChI=1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14+,15+,16-/m1/s1",HLMSIZPQBSYUNL,IPOQPSJVSA,N,noroxymorphone,HLMSIZPQBSYUNL-IPOQPSJVSA-N
HMDB61074,303.147058165,C17H21NO4,[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)CC[C@]1(O)[C@@]45CCN2)=C(OC)C=C3,"InChI=1S/C17H21NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,10,12,15,18-20H,4-8H2,1H3/t10-,12+,15-,16-,17+/m0/s1",KFWOOLJUSYSBAD,NZQXGWJPSA,N,alpha-noroxycodol,KFWOOLJUSYSBAD-NZQXGWJPSA-N
HMDB61075,303.147058165,C17H21NO4,[H]C12CC3=C4C(O[C@H]5[C@H](O)CC[C@]1(O)[C@@]45CCN2)=C(OC)C=C3,"InChI=1S/C17H21NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,10,12,15,18-20H,4-8H2,1H3/t10-,12?,15+,16+,17-/m1/s1",KFWOOLJUSYSBAD,SGPGVZRMSA,N,beta-noroxycodol,KFWOOLJUSYSBAD-SGPGVZRMSA-N
HMDB61076,303.147058165,C17H21NO4,[H][C@@]12CC3=C4C(O[C@H]5[C@H](O)CC[C@]1(O)[C@@]45CCN2C)=C(O)C=C3,"InChI=1S/C17H21NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,11-12,15,19-21H,4-8H2,1H3/t11-,12-,15+,16+,17-/m1/s1",AABLHGPVOULICI,LQPBRMSDSA,N,beta-oxymorphol,AABLHGPVOULICI-LQPBRMSDSA-N
HMDB61077,317.162708229,C18H23NO4,[H]C12CC3=C4C(O[C@H]5[C@@H](O)CC[C@]1(O)[C@@]45CCN2C)=C(OC)C=C3,"InChI=1S/C18H23NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,11,13,16,20-21H,5-9H2,1-2H3/t11-,13?,16-,17-,18+/m0/s1",LHTAJTFGGUDLRH,FHHXKLHRSA,N,alpha-oxycodol,LHTAJTFGGUDLRH-FHHXKLHRSA-N
HMDB61078,317.162708229,C18H23NO4,[H]C12CC3=C4C(O[C@H]5[C@H](O)CC[C@]1(O)[C@@]45CCN2C)=C(OC)C=C3,"InChI=1S/C18H23NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,11,13,16,20-21H,5-9H2,1-2H3/t11-,13?,16+,17+,18-/m1/s1",LHTAJTFGGUDLRH,MUUSZHPUSA,N,beta-oxycodol,LHTAJTFGGUDLRH-MUUSZHPUSA-N
HMDB61079,199.103084861,C10H17NOS,C[C@@H]1O[C@@]2(CS1)CN1CCC2CC1,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m1/s1",WUTYZMFRCNBCHQ,PSASIEDQSA,N,cevimeline trans-sulfoxide,WUTYZMFRCNBCHQ-PSASIEDQSA-N
HMDB61080,199.103084861,C10H17NOS,C[C@H]1O[C@@]2(CS1)CN1CCC2CC1,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10+/m0/s1",WUTYZMFRCNBCHQ,WCBMZHEXSA,N,cevimeline cis-sulfoxide,WUTYZMFRCNBCHQ-WCBMZHEXSA-N
HMDB61081,199.103084861,C10H17NOS,C[C@@H]1O[C@@]2(CS1)CN1CCC2CC1,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m1/s1",WUTYZMFRCNBCHQ,PSASIEDQSA,N,cevimeline N-oxide,WUTYZMFRCNBCHQ-PSASIEDQSA-N
HMDB61082,143.058243159,C6H9NO3,CCC1(C)OC(=O)N=C1O,"InChI=1S/C6H9NO3/c1-3-6(2)4(8)7-5(9)10-6/h3H2,1-2H3,(H,7,8,9)",MGHNWMRNFGYJKE,UHFFFAOYSA,N,"5-ethyl-5-methyl-2,4-oxazolidinedione",MGHNWMRNFGYJKE-UHFFFAOYSA-N
HMDB61083,471.092347516,C26H24Cl3NO,CCCCNCC(O)C1=CC(Cl)=CC2=C1C1=C(C=C(Cl)C=C1)\C2=C\C1=CC=C(Cl)C=C1,"InChI=1S/C26H24Cl3NO/c1-2-3-10-30-15-25(31)24-14-19(29)13-23-21(11-16-4-6-17(27)7-5-16)22-12-18(28)8-9-20(22)26(23)24/h4-9,11-14,25,30-31H,2-3,10,15H2,1H3/b21-11-",YLBUTQNEBVPTES,NHDPSOOVSA,N,desbutyl-lumefantrine,YLBUTQNEBVPTES-NHDPSOOVSA-N
HMDB61085,373.204179113,C25H27NO2,CNCCOC1=CC=C(C=C1)C(=C(\[C@@H](C)O)C1=CC=CC=C1)\C1=CC=CC=C1,"InChI=1S/C25H27NO2/c1-19(27)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-13-15-23(16-14-22)28-18-17-26-2/h3-16,19,26-27H,17-18H2,1-2H3/b25-24-/t19-/m1/s1",GREXPZNIZPCGIV,KRXRYSOXSA,N,alpha-Hydroxy-N-desmethyl-tamoxifen,GREXPZNIZPCGIV-KRXRYSOXSA-N
HMDB61086,343.193614427,C24H25NO,CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN)C=C1)C1=CC=CC=C1,"InChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-",MCJKBWHDNUSJLW,VHXPQNKSSA,N,N-Didesmethyl-tamoxifen,MCJKBWHDNUSJLW-VHXPQNKSSA-N
HMDB61087,403.214743799,C26H29NO3,CC\C(=C(\C1=CC=C(OCCN(C)C)C=C1)C1=CC(O)=C(O)C=C1)C1=CC=CC=C1,"InChI=1S/C26H29NO3/c1-4-23(19-8-6-5-7-9-19)26(21-12-15-24(28)25(29)18-21)20-10-13-22(14-11-20)30-17-16-27(2)3/h5-15,18,28-29H,4,16-17H2,1-3H3/b26-23+",XFIRLPDGPAOZML,WNAAXNPUSA,N,"3,4-Dihydroxy-tamoxifen",XFIRLPDGPAOZML-WNAAXNPUSA-N
HMDB61088,284.162373878,C15H24O5,C[C@H]1CCC2[C@H](C)[C@H](O)O[C@H]3OC4(C)CC[C@H]1[C@]23OO4,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11?,12+,13-,14?,15-/m0/s1",BJDCWCLMFKKGEE,AGQWIWFJSA,N,Dihydroartemisinin (DHA),BJDCWCLMFKKGEE-AGQWIWFJSA-N
HMDB61089,341.073117965,C18H13ClFN3O,OCC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2",QHSMEGADRFZVNE,UHFFFAOYSA,N,Alpha-hydroxymidazolam,QHSMEGADRFZVNE-UHFFFAOYSA-N
HMDB61090,341.073117965,C18H13ClFN3O,CC1=NC=C2C(O)N=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C18H13ClFN3O/c1-10-21-9-16-18(24)22-17(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)23(10)16/h2-9,18,24H,1H3",ZYISITHKPKHPKG,UHFFFAOYSA,N,4-hydroxymidazolam,ZYISITHKPKHPKG-UHFFFAOYSA-N
HMDB61091,361.109626801,C17H19N3O4S,COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(CO)C(OC)=C1C,"InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)",CMZHQFXXAAIBKE,UHFFFAOYSA,N,5-hydroxyesomeprazole,CMZHQFXXAAIBKE-UHFFFAOYSA-N
HMDB61092,396.174830352,C21H26F2O5,C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(O)=O,"InChI=1S/C21H26F2O5/c1-10-6-12-13-8-15(22)14-7-11(24)4-5-18(14,2)20(13,23)16(25)9-19(12,3)21(10,28)17(26)27/h4-5,7,10,12-13,15-16,25,28H,6,8-9H2,1-3H3,(H,26,27)/t10-,12?,13?,15+,16+,18+,19+,20+,21+/m1/s1",QSVBUQTYFQFEHC,FULJYSEXSA,N,fluticasone 17beta-carboxylic acid,QSVBUQTYFQFEHC-FULJYSEXSA-N
HMDB61093,129.042593095,C5H7NO3,CC1(C)OC(=O)N=C1O,"InChI=1S/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)",JYJFNDQBESEHJQ,UHFFFAOYSA,N,dimethadione,JYJFNDQBESEHJQ-UHFFFAOYSA-N
HMDB61095,316.203844762,C20H28O3,C\C(\C=C\C1=C(CO)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,"InChI=1S/C20H28O3/c1-15(7-5-8-16(2)13-19(22)23)10-11-18-17(14-21)9-6-12-20(18,3)4/h5,7-8,10-11,13,21H,6,9,12,14H2,1-4H3,(H,22,23)/b8-5+,11-10+,15-7+,16-13+",XSJOIRFEYHJNAW,FCKHSPHMSA,N,18-Hydroxyretinoic acid,XSJOIRFEYHJNAW-FCKHSPHMSA-N
HMDB61096,453.034184571,C15H17Cl2N3O9,NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)=C1Cl,"InChI=1S/C15H17Cl2N3O9/c16-7-3(1-6(22)20-15(18)19)8(17)5(2-4(7)21)28-14-11(25)9(23)10(24)12(29-14)13(26)27/h2,9-12,14,21,23-25H,1H2,(H,26,27)(H4,18,19,20,22)/t9-,10-,11+,12-,14+/m1/s1",AUDUMKPECIWTMB,DIACKHNESA,N,3-hydroxyguanfacine glucuronide,AUDUMKPECIWTMB-DIACKHNESA-N
HMDB61097,296.177630012,C20H24O2,C[C@@]12CCC3C(CCC4=CC(O)=CC=C34)C1CC[C@]2(O)C#C,"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16?,17?,18?,19-,20-/m1/s1",BFPYWIDHMRZLRN,YPKSLRHJSA,N,17-alpha-ethinyl estradiol,BFPYWIDHMRZLRN-YPKSLRHJSA-N
HMDB61098,319.214743799,C19H29NO3,COC1=C(OC)C=C2C3C[C@@H](O)[C@@H](CC(C)C)CN3CCC2=C1,"InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16?,17+/m0/s1",WEQLWGNDNRARGE,DRXWIORDSA,N,alpha-dihydrotetrabenazine,WEQLWGNDNRARGE-DRXWIORDSA-N
HMDB61099,331.189591681,C18H25N3O3,[H]C12CC3(O)CC(O)(C1)CC(C2)(C3)[C@H](N)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C#N,"InChI=1S/C18H25N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-5,7-9,20H2/t10?,11-,12+,13+,14+,16?,17?,18?/m0/s1",GAWUJFVQGSLSSZ,HREDRMPBSA,N,5-hydroxy saxagliptin,GAWUJFVQGSLSSZ-HREDRMPBSA-N
HMDB61100,337.138618743,C14H19N5O5,CC(=O)OCC(CCN1C=NC2=C1NC(=N)N=C2O)COC(C)=O,"InChI=1S/C14H19N5O5/c1-8(20)23-5-10(6-24-9(2)21)3-4-19-7-16-11-12(19)17-14(15)18-13(11)22/h7,10H,3-6H2,1-2H3,(H3,15,17,18,22)",KQURMIWGELPUHQ,UHFFFAOYSA,N,6-oxo-famciclovir,KQURMIWGELPUHQ-UHFFFAOYSA-N
HMDB61101,307.006872614,C11H10BrN5O,BrC1=C(NC2=NCCN2)C=CC2=C1N=CC(=O)N2,"InChI=1S/C11H10BrN5O/c12-9-6(17-11-13-3-4-14-11)1-2-7-10(9)15-5-8(18)16-7/h1-2,5H,3-4H2,(H,16,18)(H2,13,14,17)",BUVCZMAMYHMOPB,UHFFFAOYSA,N,2-oxobrimonidine,BUVCZMAMYHMOPB-UHFFFAOYSA-N
HMDB61102,309.022522678,C11H12BrN5O,OC1=NC2=C(NC1)C=CC(NC1=NCCN1)=C2Br,"InChI=1S/C11H12BrN5O/c12-9-6(16-11-13-3-4-14-11)1-2-7-10(9)17-8(18)5-15-7/h1-2,15H,3-5H2,(H,17,18)(H2,13,14,16)",VYULKJXHCILWPG,UHFFFAOYSA,N,3-oxobrimonidine,VYULKJXHCILWPG-UHFFFAOYSA-N
HMDB61103,430.068499125,C16H18Cl2N5O5,O[C@@H]1[C@@H](O)[C@@H](C[C@@H]([C@H]1O)C(O)=O)N1N=C(C(=[NH2+])[N-]C1=[NH2+])C1=C(Cl)C(Cl)=CC=C1,"InChI=1S/C16H17Cl2N5O5/c17-7-3-1-2-5(9(7)18)10-14(19)21-16(20)23(22-10)8-4-6(15(27)28)11(24)13(26)12(8)25/h1-3,6,8,11-13,24-26H,4H2,(H4,19,20,21,27,28)/p+1/t6-,8+,11+,12-,13-/m0/s1",NTBZZMYXLUYLSU,ZDTMJCMYSA,O,lamotrigine-2-N-glucuronide,NTBZZMYXLUYLSU-ZDTMJCMYSA-O
HMDB61104,470.166230476,C20H22N8O6,CN(CC1=NC2=C(N)NC(=N)NC2=NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31)(H,29,30)(H,33,34)(H5,21,22,25,26,27,32)/t11-/m0/s1",HODZDDDNGRLGSI,NSHDSACASA,N,7-hydroxymethotrexate,HODZDDDNGRLGSI-NSHDSACASA-N
HMDB61105,373.109626801,C18H19N3O4S,CN(CCOC1=CC=C(CC2SC(=O)N=C2O)C=C1)C1=C(O)C=CC=N1,"InChI=1S/C18H19N3O4S/c1-21(16-14(22)3-2-8-19-16)9-10-25-13-6-4-12(5-7-13)11-15-17(23)20-18(24)26-15/h2-8,15,22H,9-11H2,1H3,(H,20,23,24)",KQXWMUFVDAFGPU,UHFFFAOYSA,N,ortho-hydroxyrosiglitazone,KQXWMUFVDAFGPU-UHFFFAOYSA-N
HMDB61106,446.230453442,C25H34O7,CCCC1OC2CC3C4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,"InChI=1S/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14?,15?,17-,18+,20?,21?,22?,23+,24+,25-/m1/s1",JBVVDXJXIDYDMF,QNOBRMIYSA,N,6beta-hydroxybudesonide,JBVVDXJXIDYDMF-QNOBRMIYSA-N
HMDB61107,401.242689883,C21H31N5O3,O=C1CC2(CCCC2)CC(=O)N1CCCCN1(=O)CCN(CC1)C1=NC=CC=N1,"InChI=1S/C21H31N5O3/c27-18-16-21(6-1-2-7-21)17-19(28)25(18)10-3-4-13-26(29)14-11-24(12-15-26)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2",PXFOIYSPRVISSG,UHFFFAOYSA,N,Buspirone N-oxide,PXFOIYSPRVISSG-UHFFFAOYSA-N
HMDB61108,401.242689883,C21H31N5O3,OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)C1=NC=CC=N1)C(=O)C2,"InChI=1S/C21H31N5O3/c27-17-4-5-21(14-17)15-18(28)26(19(29)16-21)9-2-1-8-24-10-12-25(13-11-24)20-22-6-3-7-23-20/h3,6-7,17,27H,1-2,4-5,8-16H2",RQGHABOPJRYOEZ,UHFFFAOYSA,N,3'-Hydroxybuspirone,RQGHABOPJRYOEZ-UHFFFAOYSA-N
HMDB61109,401.242689883,C21H31N5O3,OC1=CN=C(N=C1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1,"InChI=1S/C21H31N5O3/c27-17-15-22-20(23-16-17)25-11-9-24(10-12-25)7-3-4-8-26-18(28)13-21(14-19(26)29)5-1-2-6-21/h15-16,27H,1-14H2",WKAUDMPUKWYRBF,UHFFFAOYSA,N,5-Hydroxybuspirone,WKAUDMPUKWYRBF-UHFFFAOYSA-N
HMDB61110,401.242689883,C21H31N5O3,OC1C(=O)N(CCCCN2CCN(CC2)C2=NC=CC=N2)C(=O)CC11CCCC1,"InChI=1S/C21H31N5O3/c27-17-16-21(6-1-2-7-21)18(28)19(29)26(17)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9,18,28H,1-4,6-7,10-16H2",KOZNAHJIJGCFJJ,UHFFFAOYSA,N,6'-Hydroxybuspirone,KOZNAHJIJGCFJJ-UHFFFAOYSA-N
HMDB61112,240.099773622,C12H16O5,CCCC1=C(C)C(C(O)=O)=C(CCC(O)=O)O1,"InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)",WMCQWXZMVIETAO,UHFFFAOYSA,N,3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid,WMCQWXZMVIETAO-UHFFFAOYSA-N
HMDB61113,340.058519208,C11H20N2O4S3,CC(=O)NC(CSC(=S)NCCCCS(C)=O)C(O)=O,"InChI=1S/C11H20N2O4S3/c1-8(14)13-9(10(15)16)7-19-11(18)12-5-3-4-6-20(2)17/h9H,3-7H2,1-2H3,(H,12,18)(H,13,14)(H,15,16)",IIHBKTCHILXGOT,UHFFFAOYSA,N,Sulforaphane-N-acetylcysteine,IIHBKTCHILXGOT-UHFFFAOYSA-N
HMDB61114,318.219494826,C20H30O3,C[C@H]1C(=C)C2CC11CCC3[C@@H](C[C@@H](O)C[C@@]3(C)C1CC2)C(O)=O,"InChI=1S/C20H30O3/c1-11-12(2)20-7-6-16-15(18(22)23)8-14(21)10-19(16,3)17(20)5-4-13(11)9-20/h12-17,21H,1,4-10H2,2-3H3,(H,22,23)/t12-,13?,14+,15+,16?,17?,19+,20?/m0/s1",DKWHHGKUVUGDBR,LREIXEELSA,N,Atractyligenin,DKWHHGKUVUGDBR-LREIXEELSA-N
HMDB61115,246.13682783,C14H18N2O2,C[N+](C)(C)[C@@H](CC1=CNC2=C1C=CC=C2)C([O-])=O,"InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1",AOHCBEAZXHZMOR,ZDUSSCGKSA,N,Lenticin,AOHCBEAZXHZMOR-ZDUSSCGKSA-N
HMDB61116,189.009578407,C6H7NO4S,NC1=C(OS(O)(=O)=O)C=CC=C1,"InChI=1S/C6H7NO4S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H,7H2,(H,8,9,10)",VSTZVCJQGSLNLL,UHFFFAOYSA,N,2-aminophenol sulphate,VSTZVCJQGSLNLL-UHFFFAOYSA-N
HMDB61117,262.014723364,C9H10O7S,OC1=CC(CCC(=O)OS(O)(=O)=O)=CC(O)=C1,"InChI=1S/C9H10O7S/c10-7-3-6(4-8(11)5-7)1-2-9(12)16-17(13,14)15/h3-5,10-11H,1-2H2,(H,13,14,15)",IZEZNNYKKNVXNA,UHFFFAOYSA,N,"3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate",IZEZNNYKKNVXNA-UHFFFAOYSA-N
HMDB61120,190.00482738,C5H6N2O4S,NC1=C(OS(O)(=O)=O)C=NC=C1,"InChI=1S/C5H6N2O4S/c6-4-1-2-7-3-5(4)11-12(8,9)10/h1-3H,(H2,6,7)(H,8,9,10)",UHYGMFPQJLJNNE,UHFFFAOYSA,N,3-Hydroxy-4-aminopyridine sulfate,UHYGMFPQJLJNNE-UHFFFAOYSA-N
HMDB61121,286.050905313,C15H11ClN2O2,OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)",ADIMAYPTOBDMTL,UHFFFAOYSA,N,3-Hydroxynordiazepam,ADIMAYPTOBDMTL-UHFFFAOYSA-N
HMDB61122,265.167793607,C15H23NO3,CC(C)NCC(O)COC1=CC=C(O)C=C1CC=C,"InChI=1S/C15H23NO3/c1-4-5-12-8-13(17)6-7-15(12)19-10-14(18)9-16-11(2)3/h4,6-8,11,14,16-18H,1,5,9-10H2,2-3H3",HNXRWPIZRBNFDD,UHFFFAOYSA,N,4-Hydroxy-alprenolol,HNXRWPIZRBNFDD-UHFFFAOYSA-N
HMDB61123,467.176643733,C26H29NO5S,CC\C(=C(/C1=CC=C(OCCN(C)C)C=C1)C1=CC=C(OS(O)(=O)=O)C=C1)C1=CC=CC=C1,"InChI=1S/C26H29NO5S/c1-4-25(20-8-6-5-7-9-20)26(22-12-16-24(17-13-22)32-33(28,29)30)21-10-14-23(15-11-21)31-19-18-27(2)3/h5-17H,4,18-19H2,1-3H3,(H,28,29,30)/b26-25-",CFSXIBDXCWVFJR,QPLCGJKRSA,N,4-Hydroxytamoxifen sulfate,CFSXIBDXCWVFJR-QPLCGJKRSA-N
HMDB61124,551.215531659,C30H33NO9,CC\C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCNOC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C=C1)C1=CC=CC=C1,"InChI=1S/C30H33NO9/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(32)13-9-19)20-10-14-22(15-11-20)38-17-16-31-40-30-27(35)25(33)26(34)28(39-30)29(36)37/h3-15,25-28,30-35H,2,16-17H2,1H3,(H,36,37)/b24-23+/t25-,26-,27+,28-,30?/m1/s1",ZGQCEPMGLPXICX,JMQJMEEHSA,N,4-Hydroxytamoxifen-N-glucuronide,ZGQCEPMGLPXICX-JMQJMEEHSA-N
HMDB61125,563.251917165,C32H37NO8,CC\C(=C(/C1=CC=C(OCCN(C)C)C=C1)C1=CC=C(OC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C=C1)C1=CC=CC=C1,"InChI=1S/C32H37NO8/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(15-11-21)39-19-18-33(2)3)22-12-16-24(17-13-22)40-32-29(36)27(34)28(35)30(41-32)31(37)38/h5-17,27-30,32,34-36H,4,18-19H2,1-3H3,(H,37,38)/b26-25-/t27-,28-,29+,30-,32?/m1/s1",SSRNQFUJUAOPJD,FVLJLDENSA,N,4-Hydroxytamoxifen-O-glucuronide,SSRNQFUJUAOPJD-FVLJLDENSA-N
HMDB61126,434.212694888,C24H34O5S,C[C@]12CCC3C([C@H]4C[C@H]4C4CC(CC[C@]34C)S(O)(=O)=O)C1[C@@H]1C[C@@H]1C21CCC(=O)O1,"InChI=1S/C24H34O5S/c1-22-6-3-12(30(26,27)28)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(25)29-24/h12-18,20-21H,3-11H2,1-2H3,(H,26,27,28)/t12?,13-,14+,15-,16?,17?,18+,20?,21?,22-,23+,24?/m1/s1",ZHIWICDXDMTIEM,AAQOLUSRSA,N,"4,5-Dihydro-drospirenone-3-sulfate",ZHIWICDXDMTIEM-AAQOLUSRSA-N
HMDB61127,378.194342708,C23H26N2O3,[H][C@]12CCN(CC1)CC2OC(=O)N1C[C@H](O)C2=C(C=CC=C2)[C@@H]1C1=CC=CC=C1,"InChI=1S/C23H26N2O3/c26-20-14-25(23(27)28-21-15-24-12-10-16(21)11-13-24)22(17-6-2-1-3-7-17)19-9-5-4-8-18(19)20/h1-9,16,20-22,26H,10-15H2/t20-,21?,22-/m0/s1",LRNNBJBAUXSVMH,NHNZYLEHSA,N,4R-Hydroxy solifenacin,LRNNBJBAUXSVMH-NHNZYLEHSA-N
HMDB61128,407.103872721,C19H21NO7S,[H]C(CCNC)(OC1=C2C=CC(OC)=C(OS(O)(=O)=O)C2=CC=C1)C1=CC=CO1,"InChI=1S/C19H21NO7S/c1-20-11-10-17(16-7-4-12-25-16)26-15-6-3-5-14-13(15)8-9-18(24-2)19(14)27-28(21,22)23/h3-9,12,17,20H,10-11H2,1-2H3,(H,21,22,23)",BIOIJFFUDCEYJH,UHFFFAOYSA,N,"5-Hydroxy, 6-methoxy duloxetine sulfate",BIOIJFFUDCEYJH-UHFFFAOYSA-N
HMDB61129,336.076451361,C17H17ClO5,COC1=CC(C)=C(Cl)C2=C1C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC,"InChI=1S/C17H17ClO5/c1-8-5-11(21-3)13-15(14(8)18)23-17(16(13)20)9(2)6-10(19)7-12(17)22-4/h5,7,9H,6H2,1-4H3/t9-,17+/m1/s1",QNPINWFXONNRKM,XLFHBGCDSA,N,6-Methyl-griseofulvin,QNPINWFXONNRKM-XLFHBGCDSA-N
HMDB61130,458.1437637,C21H22N4O8,CC1=CC=NC2=C1NC(=O)C1=C(N=CC(O[C@H]3O[C@H]([C@H](O)[C@@H](O)[C@@H]3O)C(O)=O)=C1)N2C1CC1,"InChI=1S/C21H22N4O8/c1-8-4-5-22-18-12(8)24-19(29)11-6-10(7-23-17(11)25(18)9-2-3-9)32-21-15(28)13(26)14(27)16(33-21)20(30)31/h4-7,9,13-16,21,26-28H,2-3H2,1H3,(H,24,29)(H,30,31)/t13-,14-,15+,16-,21+/m1/s1",IVZWGLRSSHUFTI,WCYOCWRHSA,N,8-Hydroxynevirapine glucuronide,IVZWGLRSSHUFTI-WCYOCWRHSA-N
HMDB61131,301.10808584,C14H20ClNO4,CCCCNCC(O)COC1=C(Cl)C=CC(=C1)C(O)=O,"InChI=1S/C14H20ClNO4/c1-2-3-6-16-8-11(17)9-20-13-7-10(14(18)19)4-5-12(13)15/h4-5,7,11,16-17H,2-3,6,8-9H2,1H3,(H,18,19)",IZPPAHZRVDTEHO,UHFFFAOYSA,N,"Carboxybupranolol, 4-chloro-3-[3-(1,1-dimethylethylamino)-2-hydroxy-propyloxy]benzoic acid",IZPPAHZRVDTEHO-UHFFFAOYSA-N
HMDB61132,559.087234558,C22H20F3N3O9S,NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(OC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C=C1)C(F)(F)F,"InChI=1S/C22H20F3N3O9S/c23-22(24,25)15-9-14(28(27-15)11-3-7-13(8-4-11)38(26,34)35)10-1-5-12(6-2-10)36-21-18(31)16(29)17(30)19(37-21)20(32)33/h1-9,16-19,21,29-31H,(H,32,33)(H2,26,34,35)/t16-,17-,18+,19-,21?/m1/s1",BMBHPAUFWUKYDR,AVPDHNOJSA,N,Celecoxib glucuronide,BMBHPAUFWUKYDR-AVPDHNOJSA-N
HMDB61133,664.149154748,C33H30Cl2N4O7,CC(COC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)\N=C1/C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1,"InChI=1S/C33H30Cl2N4O7/c1-17(16-45-33-30(42)28(40)29(41)31(46-33)32(43)44)36-24-15-27-25(14-23(24)37-20-10-6-18(34)7-11-20)38-22-4-2-3-5-26(22)39(27)21-12-8-19(35)9-13-21/h2-15,17,28-31,33,37,40-42H,16H2,1H3,(H,43,44)/b36-24+/t17?,28-,29-,30+,31-,33?/m0/s1",YJJBZADWPTXVOZ,DDXRKAPGSA,N,Clofazimine glucuronide,YJJBZADWPTXVOZ-DDXRKAPGSA-N
HMDB61134,290.064446887,C15H15ClN2S,NCCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2,"InChI=1S/C15H15ClN2S/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)19-15/h1-2,4-7,10H,3,8-9,17H2",ZTQZBABFEUDZFE,UHFFFAOYSA,N,Dedimethylchlorpromazine,ZTQZBABFEUDZFE-UHFFFAOYSA-N
HMDB61135,304.080096951,C16H17ClN2S,CNCCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2,"InChI=1S/C16H17ClN2S/c1-18-9-4-10-19-13-5-2-3-6-15(13)20-16-8-7-12(17)11-14(16)19/h2-3,5-8,11,18H,4,9-10H2,1H3",YHFXGBOUSIKGMZ,UHFFFAOYSA,N,Demonomethylchlorpromazine,YHFXGBOUSIKGMZ-UHFFFAOYSA-N
HMDB61136,264.11100701,C13H16N2O4,COC1=C(O)C2=C(NC=C2CCNC(C)=O)C=C1O,"InChI=1S/C13H16N2O4/c1-7(16)14-4-3-8-6-15-9-5-10(17)13(19-2)12(18)11(8)9/h5-6,15,17-18H,3-4H2,1-2H3,(H,14,16)",UEZDFVJSDBULCI,UHFFFAOYSA,N,di-Hydroxymelatonin,UEZDFVJSDBULCI-UHFFFAOYSA-N
HMDB61137,463.184231531,C23H29NO9,[H][C@@]12CC3=C4C(O[C@H]5[C@@H](CC[C@]1([H])[C@@]45CCN2C)O[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)=C(O)C=C3,"InChI=1S/C23H29NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2,4,10-11,13,15-17,19-20,22,25-28H,3,5-8H2,1H3,(H,29,30)/t10-,11+,13+,15+,16+,17-,19+,20-,22-,23-/m0/s1",DSUSABDLTYJUKQ,NCRPEHEWSA,N,Dihydroisomorphine-6-glucuronide,DSUSABDLTYJUKQ-NCRPEHEWSA-N
HMDB61138,325.204179113,C21H27NO2,CCC(OC(C)=O)C(CC(C)N)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H27NO2/c1-4-20(24-17(3)23)21(15-16(2)22,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16,20H,4,15,22H2,1-3H3",FYQILXMAOLDNOY,UHFFFAOYSA,N,dinor-Levomethadyl acetate,FYQILXMAOLDNOY-UHFFFAOYSA-N
HMDB61139,472.197141941,C25H30NO8,C[N+](C)(CC\C=C1/C2=C(COC3=C1C=CC=C3)C=CC=C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C25H29NO8/c1-26(2,34-25-22(29)20(27)21(28)23(33-25)24(30)31)13-7-11-17-16-9-4-3-8-15(16)14-32-19-12-6-5-10-18(17)19/h3-6,8-12,20-23,25,27-29H,7,13-14H2,1-2H3/p+1/b17-11+/t20-,21-,22+,23-,25-/m0/s1",NLZMYODDTAMNJM,GOSZAKIASA,O,Doxepin N-oxide glucuronide,NLZMYODDTAMNJM-GOSZAKIASA-O
HMDB61140,453.160993669,C25H27NO5S,CC\C(=C(\C1=CC=C(OCCNC)C=C1)C1=CC=C(OS(O)(=O)=O)C=C1)C1=CC=CC=C1,"InChI=1S/C25H27NO5S/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(14-10-20)30-18-17-26-2)21-11-15-23(16-12-21)31-32(27,28)29/h4-16,26H,3,17-18H2,1-2H3,(H,27,28,29)/b25-24+",DHSITAIKYQFMGG,OCOZRVBESA,N,Endoxifen sulfate,DHSITAIKYQFMGG-OCOZRVBESA-N
HMDB61142,418.126382302,C21H22O9,CC(C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC=CC(OC2=CC=CC=C2)=C1,"InChI=1S/C21H22O9/c1-11(12-6-5-9-14(10-12)28-13-7-3-2-4-8-13)20(27)30-21-17(24)15(22)16(23)18(29-21)19(25)26/h2-11,15-18,21-24H,1H3,(H,25,26)/t11?,15-,16-,17+,18-,21-/m0/s1",KXAAUVHIGIFUSM,RVLIQFCMSA,N,Fenoprofen glucuronide,KXAAUVHIGIFUSM-RVLIQFCMSA-N
HMDB61143,230.080375584,C11H10N4O2,C\C(=N/NC1=NN=CC2=CC=CC=C12)C(O)=O,"InChI=1S/C11H10N4O2/c1-7(11(16)17)13-15-10-9-5-3-2-4-8(9)6-12-14-10/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7+",CXGHHASVNBBLOU,NTUHNPAUSA,N,Hydralazine pyruvate hydrazone,CXGHHASVNBBLOU-NTUHNPAUSA-N
HMDB61144,447.189316909,C23H29NO8,[H][C@@]12CC3=C4C(O[C@H]5C(=O)CC[C@]1([H])[C@@]45CCN2C)=C(OC1OC(CO)C(O)C(O)C1O)C=C3,"InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-4-13(26)21(23)32-20-14(5-2-10(16(20)23)8-12(11)24)30-22-19(29)18(28)17(27)15(9-25)31-22/h2,5,11-12,15,17-19,21-22,25,27-29H,3-4,6-9H2,1H3/t11-,12+,15?,17?,18?,19?,21-,22?,23-/m0/s1",LAZTZBKWNKFJLP,FBSPHTLJSA,N,Hydromorphone-3-glucoside,LAZTZBKWNKFJLP-FBSPHTLJSA-N
HMDB61146,282.121571696,C13H18N2O5,COC[C@@H](NCC(O)=O)C(=O)NCC1=CC=C(O)C=C1,"InChI=1S/C13H18N2O5/c1-20-8-11(14-7-12(17)18)13(19)15-6-9-2-4-10(16)5-3-9/h2-5,11,14,16H,6-8H2,1H3,(H,15,19)(H,17,18)/t11-/m1/s1",RBFMZJMSICTYCA,LLVKDONJSA,N,Hydroxy-lacosamide,RBFMZJMSICTYCA-LLVKDONJSA-N
HMDB61147,506.181979063,C25H31ClN2O7,CN(C)CCCN1C2=C(CCC3=C1C=CC=C3O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=CC(Cl)=C2,"InChI=1S/C25H31ClN2O7/c1-27(2)11-4-12-28-17-5-3-6-19(16(17)10-8-14-7-9-15(26)13-18(14)28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h3,5-7,9,13,20-23,25,29-31H,4,8,10-12H2,1-2H3,(H,32,33)/t20-,21-,22+,23-,25+/m0/s1",KLJBBCVPINUDOY,LYVDORBWSA,N,Hydroxyclomipramine glucuronide,KLJBBCVPINUDOY-LYVDORBWSA-N
HMDB61148,119.058243159,C4H9NO3,NCC(=O)OCCO,"InChI=1S/C4H9NO3/c5-3-4(7)8-2-1-6/h6H,1-3,5H2",XSISQURPIRTMAY,UHFFFAOYSA,N,Hydroxyethyl glycine,XSISQURPIRTMAY-UHFFFAOYSA-N
HMDB61149,508.227259852,C27H34F2O7,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1",WYQPLTPSGFELIB,JTQPXKBDSA,N,Hydroxyfluoroprednisolone butyrate,WYQPLTPSGFELIB-JTQPXKBDSA-N
HMDB61150,261.147726867,C14H19N3O2,CNC1CCC2NC3=C(O)C=C(C=C3C2C1)C(N)=O,"InChI=1S/C14H19N3O2/c1-16-8-2-3-11-9(6-8)10-4-7(14(15)19)5-12(18)13(10)17-11/h4-5,8-9,11,16-18H,2-3,6H2,1H3,(H2,15,19)",WKNUOPLCDMOYFP,UHFFFAOYSA,N,Hydroxyl frovatriptan,WKNUOPLCDMOYFP-UHFFFAOYSA-N
HMDB61151,289.142641489,C15H19N3O3,CC(=O)NC1CCC2NC3=C(O)C=C(C=C3C2C1)C(N)=O,"InChI=1S/C15H19N3O3/c1-7(19)17-9-2-3-12-10(6-9)11-4-8(15(16)21)5-13(20)14(11)18-12/h4-5,9-10,12,18,20H,2-3,6H2,1H3,(H2,16,21)(H,17,19)",CDCOGHQILPZANE,UHFFFAOYSA,N,Hydroxylated N-acetyl desmethyl frovatriptan,CDCOGHQILPZANE-UHFFFAOYSA-N
HMDB61152,568.24208076,C30H36N2O9,CCC1=C(CC)C=C2CC(CC2=C1)NCC(O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C2=C1C=CC(=O)N2,"InChI=1S/C30H36N2O9/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)31-13-21(33)19-5-7-22(24-20(19)6-8-23(34)32-24)40-30-27(37)25(35)26(36)28(41-30)29(38)39/h5-10,18,21,25-28,30-31,33,35-37H,3-4,11-13H2,1-2H3,(H,32,34)(H,38,39)/t21?,25-,26-,27+,28-,30+/m0/s1",QTEUXTDFPHJNHA,PQBKFTBYSA,N,Indacaterol-8-O-glucuronide,QTEUXTDFPHJNHA-PQBKFTBYSA-N
HMDB61153,275.038291716,C11H14ClNO3S,CC1CN(CCC2=C1C=C(Cl)C=C2)S(O)(=O)=O,"InChI=1S/C11H14ClNO3S/c1-8-7-13(17(14,15)16)5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8H,4-5,7H2,1H3,(H,14,15,16)",YZUNJIOOIHWHGQ,UHFFFAOYSA,N,Lorcaserin sulfamate,YZUNJIOOIHWHGQ-UHFFFAOYSA-N
HMDB61154,342.204238692,C18H30O6,[H][C@]1(O[C@H]1CC1CC[C@@H](C\C(C)=C\C(O)=O)[C@H](O)[C@@H]1O)[C@@H](C)C(C)O,"InChI=1S/C18H30O6/c1-9(7-15(20)21)6-12-4-5-13(17(23)16(12)22)8-14-18(24-14)10(2)11(3)19/h7,10-14,16-19,22-23H,4-6,8H2,1-3H3,(H,20,21)/b9-7+/t10-,11?,12-,13?,14-,16-,17+,18-/m0/s1",MUWNEQMGMLXEFO,CXSJRMNRSA,N,Monic acid,MUWNEQMGMLXEFO-CXSJRMNRSA-N
HMDB61155,293.271864747,C19H35NO,OC1CCC(CC1)C(CC1CCCCN1)C1CCCCC1,"InChI=1S/C19H35NO/c21-18-11-9-16(10-12-18)19(15-6-2-1-3-7-15)14-17-8-4-5-13-20-17/h15-21H,1-14H2",DZFRYNPJLZCKSC,UHFFFAOYSA,N,Monohydroxyperhexiline,DZFRYNPJLZCKSC-UHFFFAOYSA-N
HMDB61156,145.073893223,C6H11NO3,OC(=O)CN1CCOCC1,"InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)",VIWZVFVJPXTXPA,UHFFFAOYSA,N,N-(2-Carboxymethyl)-morpholine,VIWZVFVJPXTXPA-UHFFFAOYSA-N
HMDB61157,147.089543287,C6H13NO3,OCCON1CCOCC1,"InChI=1S/C6H13NO3/c8-3-6-10-7-1-4-9-5-2-7/h8H,1-6H2",WTPGFRPRHSDKNE,UHFFFAOYSA,N,N-(2-Hydroxyethyl)-morpholine N-oxide,WTPGFRPRHSDKNE-UHFFFAOYSA-N
HMDB61158,273.147726867,C15H19N3O2,CC(=O)NC1CCC2NC3=CC=C(C=C3C2C1)C(N)=O,"InChI=1S/C15H19N3O2/c1-8(19)17-10-3-5-14-12(7-10)11-6-9(15(16)20)2-4-13(11)18-14/h2,4,6,10,12,14,18H,3,5,7H2,1H3,(H2,16,20)(H,17,19)",CQIAKQMSTPQBAU,UHFFFAOYSA,N,N-Acetyl desmethyl frovatriptan,CQIAKQMSTPQBAU-UHFFFAOYSA-N
HMDB61159,409.165600718,C21H28ClNO5,C[C@H]1[C@H](C)C(OC(=O)N2CCC3=C(C=C(Cl)C=C3)C(C)C2)O[C@H]([C@@H]1C)C(O)=O,"InChI=1S/C21H28ClNO5/c1-11-10-23(8-7-15-5-6-16(22)9-17(11)15)21(26)28-20-14(4)12(2)13(3)18(27-20)19(24)25/h5-6,9,11-14,18,20H,7-8,10H2,1-4H3,(H,24,25)/t11?,12-,13-,14+,18-,20?/m1/s1",DGFKLWZCLRDMAF,IJQUCLSUSA,N,N-Carbamoyl glucuronide lorcaserin,DGFKLWZCLRDMAF-IJQUCLSUSA-N
HMDB61160,290.064446887,C15H15ClN2S,NCCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2,"InChI=1S/C15H15ClN2S/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)19-15/h1-2,4-7,10H,3,8-9,17H2",ZTQZBABFEUDZFE,UHFFFAOYSA,N,N-Dedimethylchlorpromazine,ZTQZBABFEUDZFE-UHFFFAOYSA-N
HMDB61161,288.046568864,C15H10ClFN2O,FC1=CC=CC=C1C1=NCC(=O)NC2=C1C=C(Cl)C=C2,"InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",UVCOILFBWYKHHB,UHFFFAOYSA,N,N-Desalkyl flurazepam,UVCOILFBWYKHHB-UHFFFAOYSA-N
HMDB61162,114.079312952,C5H10N2O,O=NC1CCNCC1,"InChI=1S/C5H10N2O/c8-7-5-1-3-6-4-2-5/h5-6H,1-4H2",GYOBZYGGVLLHBK,UHFFFAOYSA,N,N-Mononitrosopiperazine,GYOBZYGGVLLHBK-UHFFFAOYSA-N
HMDB61163,116.05857751,C4H8N2O2,OC1CCN(C1)N=O,"InChI=1S/C4H8N2O2/c7-4-1-2-6(3-4)5-8/h4,7H,1-3H2",XDZKGLWJXJTZJZ,UHFFFAOYSA,N,N-Nitroso-3-hydroxypyrrolidine,XDZKGLWJXJTZJZ-UHFFFAOYSA-N
HMDB61164,639.15635998,C29H28F3NO12,[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(=O)CO)O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1,"InChI=1S/C29H28F3NO12/c1-10-22(36)13(33-27(41)29(30,31)32)6-17(44-10)45-15-8-28(42,16(35)9-34)7-12-19(15)26(40)21-20(24(12)38)23(37)11-4-3-5-14(43-2)18(11)25(21)39/h3-5,10,13,15,17,22,34,36,38,40,42H,6-9H2,1-2H3,(H,33,41)/t10-,13-,15-,17-,22+,28-/m0/s1",RQIOYWADAKTIJC,XUKKXQNXSA,N,N-Trifluoroacetyladriamycin,RQIOYWADAKTIJC-XUKKXQNXSA-N
HMDB61165,241.146664235,C16H19NO,CC1=C(C=CC=C1)C(OCCN)C1=CC=CC=C1,"InChI=1S/C16H19NO/c1-13-7-5-6-10-15(13)16(18-12-11-17)14-8-3-2-4-9-14/h2-10,16H,11-12,17H2,1H3",BJVWYJOLTICWGB,UHFFFAOYSA,N,"N,N-Didemethyl orphenadrine",BJVWYJOLTICWGB-UHFFFAOYSA-N
HMDB61166,277.204179113,C17H27NO2,COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3",PNVNVHUZROJLTJ,UHFFFAOYSA,N,"N,N,O-Didesmethylvenlafaxine",PNVNVHUZROJLTJ-UHFFFAOYSA-N
HMDB61167,425.204966973,C21H31NO8,CNCC(C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1(O)CCCCC1,"InChI=1S/C21H31NO8/c1-22-11-14(21(28)9-3-2-4-10-21)12-5-7-13(8-6-12)29-20-17(25)15(23)16(24)18(30-20)19(26)27/h5-8,14-18,20,22-25,28H,2-4,9-11H2,1H3,(H,26,27)/t14?,15-,16-,17+,18-,20+/m0/s1",UDNAJOOLWIWCAW,SQBZNDFJSA,N,"N,O-Didesmethylvenlafaxine glucuronide",UDNAJOOLWIWCAW-SQBZNDFJSA-N
HMDB61168,317.098016257,C11H19N5O2S2,CNCC1=NC(CSCCN\C(NC)=C\[N+]([O-])=O)=CS1,"InChI=1S/C11H19N5O2S2/c1-12-5-11-15-9(8-20-11)7-19-4-3-14-10(13-2)6-16(17)18/h6,8,12-14H,3-5,7H2,1-2H3/b10-6+",QDLSRAPBCBFIQC,UXBLZVDNSA,N,N2-Monodes-methylnizatidine,QDLSRAPBCBFIQC-UXBLZVDNSA-N
HMDB61169,339.219829177,C22H29NO2,CCC(OC(C)=O)C(CC(C)NC)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3",VWCUGCYZZGRKEE,UHFFFAOYSA,N,nor-Levomethadyl acetate,VWCUGCYZZGRKEE-UHFFFAOYSA-N
HMDB61170,487.145401364,C22H24F3NO8,O[C@@H]1[C@@H](O)C(ONCCC(OC2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C22H24F3NO8/c23-22(24,25)13-6-8-14(9-7-13)32-15(12-4-2-1-3-5-12)10-11-26-34-21-18(29)16(27)17(28)19(33-21)20(30)31/h1-9,15-19,21,26-29H,10-11H2,(H,30,31)/t15?,16-,17-,18+,19-,21?/m0/s1",LUIHTMWIRNJSNW,FRYOACGXSA,N,Norfluoxetine glucuronide,LUIHTMWIRNJSNW-FRYOACGXSA-N
HMDB61172,411.189316909,C20H29NO8,NCC(C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1(O)CCCCC1,"InChI=1S/C20H29NO8/c21-10-13(20(27)8-2-1-3-9-20)11-4-6-12(7-5-11)28-19-16(24)14(22)15(23)17(29-19)18(25)26/h4-7,13-17,19,22-24,27H,1-3,8-10,21H2,(H,25,26)/t13?,14-,15-,16+,17-,19+/m0/s1",VNRFTNKWISCOMJ,KUIQUDTGSA,N,O-Desmethylvenlafaxine glucuronide,VNRFTNKWISCOMJ-KUIQUDTGSA-N
HMDB61173,190.980776838,C6H6ClNO2S,NS(=O)(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)",HHHDJHHNEURCNV,UHFFFAOYSA,N,p-Chlorobenzenesulfonamide,HHHDJHHNEURCNV-UHFFFAOYSA-N
HMDB61174,220.08479226,C11H12N2O3,CCN1C(=O)NC(C1=O)C1=CC=C(O)C=C1,"InChI=1S/C11H12N2O3/c1-2-13-10(15)9(12-11(13)16)7-3-5-8(14)6-4-7/h3-6,9,14H,2H2,1H3,(H,12,16)",UUBDNHDPPHJUHB,UHFFFAOYSA,N,p-Hydroxyl-ethotoin,UUBDNHDPPHJUHB-UHFFFAOYSA-N
HMDB61175,286.050905313,C15H11ClN2O2,OC1=CC=C(C=C1)C1=NCC(=O)NC2=CC=C(Cl)C=C12,"InChI=1S/C15H11ClN2O2/c16-10-3-6-13-12(7-10)15(17-8-14(20)18-13)9-1-4-11(19)5-2-9/h1-7,19H,8H2,(H,18,20)",WVHIBVZUJQMFON,UHFFFAOYSA,N,p-Hydroxynordiazepam,WVHIBVZUJQMFON-UHFFFAOYSA-N
HMDB61176,515.167121228,C27H34BrNO4,[Br-].CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(C2)OC(=O)C(COC(=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C27H34NO4.BrH/c1-19(2)28(3)22-14-15-23(28)17-24(16-22)32-27(30)25(20-10-6-4-7-11-20)18-31-26(29)21-12-8-5-9-13-21;/h4-13,19,22-25H,14-18H2,1-3H3;1H/q+1;/p-1/t22-,23-,24?,25?,28?;/m1./s1",XHBYEUXSELWWNG,VHPVAZJWSA,M,Phenylacetic acid-N-isopropylnortropine-ester methobromide,XHBYEUXSELWWNG-VHPVAZJWSA-M
HMDB61177,272.077026807,C11H14NO7,O[C@H]1[C@H](O)[C@@H](O[N+]2=CC=CC=C2)O[C@H]([C@@H]1O)C(O)=O,"InChI=1S/C11H13NO7/c13-6-7(14)9(10(16)17)18-11(8(6)15)19-12-4-2-1-3-5-12/h1-9,11,13-15H/p+1/t6-,7-,8+,9-,11-/m1/s1",KITHDEVLYXWSPB,ZBGLXGBJSA,O,Pyridine N-oxide glucuronide,KITHDEVLYXWSPB-ZBGLXGBJSA-O
HMDB61178,412.236207522,C24H32N2O4,[H][C@@]12C[C@]3([H])N(C(=O)[C@H](C)N([C@H](CCC4=CC=CC=C4)C(=O)OCC)C3=O)[C@@]1([H])CCCC2,"InChI=1S/C24H32N2O4/c1-3-30-24(29)20(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-19-12-8-7-11-18(19)15-21(26)23(25)28/h4-6,9-10,16,18-21H,3,7-8,11-15H2,1-2H3/t16-,18+,19-,20+,21-/m0/s1",AKUCMKAPHCGRFV,OSTWSGHESA,N,Trandolapril-d5 Diketopiperazine,AKUCMKAPHCGRFV-OSTWSGHESA-N
HMDB61185,130.02660868,C5H6O4,OC(=O)C\C=C\C(O)=O,"InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+",XVOUMQNXTGKGMA,OWOJBTEDSA,N,2-Pentendioate,XVOUMQNXTGKGMA-OWOJBTEDSA-N
HMDB61189,262.165447883,C12H24NO5,CC(C)(O)CC(=O)OC(CC(O)=O)C[N+](C)(C)C,"InChI=1S/C12H23NO5/c1-12(2,17)7-11(16)18-9(6-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3/p+1",IGLHHSKNBDXCEY,UHFFFAOYSA,O,3-Hydroxyisovalerylcarnitine,IGLHHSKNBDXCEY-UHFFFAOYSA-O
HMDB61196,1295.677490641,C62H89N17O14,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(O)=O,"InChI=1S/C62H89N17O14/c1-7-35(6)51(78-56(87)44(25-37-17-19-40(80)20-18-37)74-58(89)50(34(4)5)77-53(84)42(15-11-21-68-62(64)65)71-52(83)41(63)28-49(81)82)59(90)75-46(27-39-30-67-32-70-39)60(91)79-22-12-16-48(79)57(88)73-43(24-36-13-9-8-10-14-36)54(85)72-45(26-38-29-66-31-69-38)55(86)76-47(61(92)93)23-33(2)3/h8-10,13-14,17-20,29-35,41-48,50-51,80H,7,11-12,15-16,21-28,63H2,1-6H3,(H,66,69)(H,67,70)(H,71,83)(H,72,85)(H,73,88)(H,74,89)(H,75,90)(H,76,86)(H,77,84)(H,78,87)(H,81,82)(H,92,93)(H4,64,65,68)/t35-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-/m0/s1",ORWYRWWVDCYOMK,HBZPZAIKSA,N,Angiotensin I,ORWYRWWVDCYOMK-HBZPZAIKSA-N
HMDB61386,463.983250577,C18H15Cl3O8,O[C@@H]1[C@@H](O)[C@H](OC2=CC(Cl)=CC=C2OC2=C(Cl)C=C(Cl)C=C2)O[C@@H]([C@H]1O)C(O)=O,"InChI=1S/C18H15Cl3O8/c19-7-1-3-10(9(21)5-7)27-11-4-2-8(20)6-12(11)28-18-15(24)13(22)14(23)16(29-18)17(25)26/h1-6,13-16,18,22-24H,(H,25,26)/t13-,14-,15+,16-,18+/m0/s1",DNYVWBJVOYZRCX,RNGZQALNSA,N,Triclosan glucuronide,DNYVWBJVOYZRCX-RNGZQALNSA-N
HMDB61387,367.907977145,C12H7Cl3O5S,OS(=O)(=O)OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1,"InChI=1S/C12H7Cl3O5S/c13-7-1-3-10(9(15)5-7)19-11-4-2-8(14)6-12(11)20-21(16,17)18/h1-6H,(H,16,17,18)",ZPFYUMPBKRRSTR,UHFFFAOYSA,N,Triclosan sulfate,ZPFYUMPBKRRSTR-UHFFFAOYSA-N
HMDB61388,174.05282343,C7H10O5,COC(=O)CCC(=O)C(=O)OC,"InChI=1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3",TXIXSLPEABAEHP,UHFFFAOYSA,N,Dimethyl 2-oxoglutarate,TXIXSLPEABAEHP-UHFFFAOYSA-N
HMDB61390,866.591109457,C48H85NO10P,CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C48H84NO10P/c1-10-28-43-38(3)40(5)45(58-43)30-24-20-16-12-14-18-22-26-32-47(50)54-36-42(37-56-60(52,53)55-35-34-49(7,8)9)57-48(51)33-27-23-19-15-13-17-21-25-31-46-41(6)39(4)44(59-46)29-11-2/h42H,10-37H2,1-9H3/p+1",DQXMMQRBHZWYPT,UHFFFAOYSA,O,"PC(DiMe(11,3)/DiMe(11,3))",DQXMMQRBHZWYPT-UHFFFAOYSA-O
HMDB61391,894.622409585,C50H89NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,"InChI=1S/C50H88NO10P/c1-10-12-25-31-46-42(5)43(6)48(61-46)33-27-22-18-14-16-20-24-29-35-50(53)59-44(39-58-62(54,55)57-37-36-51(7,8)9)38-56-49(52)34-28-23-19-15-13-17-21-26-32-47-41(4)40(3)45(60-47)30-11-2/h44H,10-39H2,1-9H3/p+1",MUWHBDDKJLZBRU,UHFFFAOYSA,O,"PC(DiMe(11,3)/DiMe(11,5))",MUWHBDDKJLZBRU-UHFFFAOYSA-O
HMDB61392,922.653709713,C52H93NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,"InChI=1S/C52H92NO10P/c1-10-12-27-33-48-44(5)45(6)50(63-48)35-29-23-19-15-13-14-16-22-26-31-37-52(55)61-46(41-60-64(56,57)59-39-38-53(7,8)9)40-58-51(54)36-30-25-21-18-17-20-24-28-34-49-43(4)42(3)47(62-49)32-11-2/h46H,10-41H2,1-9H3/p+1",RQWGDOMZLJGMQH,UHFFFAOYSA,O,"PC(DiMe(11,3)/DiMe(13,5))",RQWGDOMZLJGMQH-UHFFFAOYSA-O
HMDB61393,838.559809329,C46H81NO10P,CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C46H80NO10P/c1-10-26-41-36(3)38(5)43(56-41)28-22-18-14-12-13-15-20-24-30-45(48)52-34-40(35-54-58(50,51)53-33-32-47(7,8)9)55-46(49)31-25-21-17-16-19-23-29-44-39(6)37(4)42(57-44)27-11-2/h40H,10-35H2,1-9H3/p+1",WWPYVEZWNNLBRU,UHFFFAOYSA,O,"PC(DiMe(11,3)/DiMe(9,3))",WWPYVEZWNNLBRU-UHFFFAOYSA-O
HMDB61394,866.591109457,C48H85NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,"InChI=1S/C48H84NO10P/c1-10-12-23-29-44-40(5)41(6)46(59-44)31-25-20-17-18-22-27-33-48(51)57-42(37-56-60(52,53)55-35-34-49(7,8)9)36-54-47(50)32-26-21-16-14-13-15-19-24-30-45-39(4)38(3)43(58-45)28-11-2/h42H,10-37H2,1-9H3/p+1",HUVPYIONHWXLJN,UHFFFAOYSA,O,"PC(DiMe(11,3)/DiMe(9,5))",HUVPYIONHWXLJN-UHFFFAOYSA-O
HMDB61395,852.575459393,C47H83NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C47H82NO10P/c1-9-27-41-35-38(3)43(56-41)29-23-19-15-11-14-18-22-26-32-47(50)57-42(37-55-59(51,52)54-34-33-48(6,7)8)36-53-46(49)31-25-21-17-13-12-16-20-24-30-45-40(5)39(4)44(58-45)28-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1",JTBDDPUGVKBTJB,UHFFFAOYSA,O,"PC(DiMe(11,3)/MonoMe(11,3))",JTBDDPUGVKBTJB-UHFFFAOYSA-O
HMDB61396,880.606759521,C49H87NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C49H86NO10P/c1-9-11-24-30-43-37-40(3)45(58-43)31-25-20-16-12-15-19-23-28-34-49(52)59-44(39-57-61(53,54)56-36-35-50(6,7)8)38-55-48(51)33-27-22-18-14-13-17-21-26-32-47-42(5)41(4)46(60-47)29-10-2/h37,44H,9-36,38-39H2,1-8H3/p+1",LYZIKWIRCNDHHE,UHFFFAOYSA,O,"PC(DiMe(11,3)/MonoMe(11,5))",LYZIKWIRCNDHHE-UHFFFAOYSA-O
HMDB61397,908.638059649,C51H91NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C51H90NO10P/c1-9-11-26-32-45-39-42(3)47(60-45)33-27-22-18-14-12-13-15-21-25-30-36-51(54)61-46(41-59-63(55,56)58-38-37-52(6,7)8)40-57-50(53)35-29-24-20-17-16-19-23-28-34-49-44(5)43(4)48(62-49)31-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1",FUTRXUCNRCUWTR,UHFFFAOYSA,O,"PC(DiMe(11,3)/MonoMe(13,5))",FUTRXUCNRCUWTR-UHFFFAOYSA-O
HMDB61398,852.575459393,C47H83NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C47H82NO10P/c1-9-11-22-28-41-35-38(3)43(56-41)29-23-18-16-17-21-26-32-47(50)57-42(37-55-59(51,52)54-34-33-48(6,7)8)36-53-46(49)31-25-20-15-13-12-14-19-24-30-45-40(5)39(4)44(58-45)27-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1",JMGLQNWBOIECQB,UHFFFAOYSA,O,"PC(DiMe(11,3)/MonoMe(9,5))",JMGLQNWBOIECQB-UHFFFAOYSA-O
HMDB61399,894.622409585,C50H89NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C50H88NO10P/c1-10-12-25-31-46-42(5)43(6)48(61-46)33-27-22-17-13-15-19-23-28-34-49(52)56-38-44(39-58-62(54,55)57-37-36-51(7,8)9)59-50(53)35-29-24-20-16-14-18-21-26-32-47-41(4)40(3)45(60-47)30-11-2/h44H,10-39H2,1-9H3/p+1",HHXQGLABIUPDDE,UHFFFAOYSA,O,"PC(DiMe(11,5)/DiMe(11,3))",HHXQGLABIUPDDE-UHFFFAOYSA-O
HMDB61400,922.653709713,C52H93NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C52H92NO10P/c1-10-12-26-32-47-42(3)44(5)49(62-47)34-28-22-18-14-16-20-24-30-36-51(54)58-40-46(41-60-64(56,57)59-39-38-53(7,8)9)61-52(55)37-31-25-21-17-15-19-23-29-35-50-45(6)43(4)48(63-50)33-27-13-11-2/h46H,10-41H2,1-9H3/p+1",QIDOTSKGKAREAS,UHFFFAOYSA,O,"PC(DiMe(11,5)/DiMe(11,5))",QIDOTSKGKAREAS-UHFFFAOYSA-O
HMDB61401,950.685009841,C54H97NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,"InChI=1S/C54H96NO10P/c1-10-12-28-34-49-44(3)46(5)51(64-49)36-30-24-20-16-14-15-17-23-27-33-39-54(57)63-48(43-62-66(58,59)61-41-40-55(7,8)9)42-60-53(56)38-32-26-22-19-18-21-25-31-37-52-47(6)45(4)50(65-52)35-29-13-11-2/h48H,10-43H2,1-9H3/p+1",SGOQUQDMDJKZFJ,UHFFFAOYSA,O,"PC(DiMe(11,5)/DiMe(13,5))",SGOQUQDMDJKZFJ-UHFFFAOYSA-O
HMDB61402,866.591109457,C48H85NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C48H84NO10P/c1-10-12-23-29-44-40(5)41(6)46(59-44)31-24-19-15-13-14-16-21-26-32-47(50)54-36-42(37-56-60(52,53)55-35-34-49(7,8)9)57-48(51)33-27-22-18-17-20-25-30-45-39(4)38(3)43(58-45)28-11-2/h42H,10-37H2,1-9H3/p+1",SCNOXBFQVSFVEG,UHFFFAOYSA,O,"PC(DiMe(11,5)/DiMe(9,3))",SCNOXBFQVSFVEG-UHFFFAOYSA-O
HMDB61403,894.622409585,C50H89NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C50H88NO10P/c1-10-12-24-30-45-40(3)42(5)47(60-45)32-26-20-16-14-15-17-22-28-34-49(52)56-38-44(39-58-62(54,55)57-37-36-51(7,8)9)59-50(53)35-29-23-19-18-21-27-33-48-43(6)41(4)46(61-48)31-25-13-11-2/h44H,10-39H2,1-9H3/p+1",GVQKMWKHTJVOJH,UHFFFAOYSA,O,"PC(DiMe(11,5)/DiMe(9,5))",GVQKMWKHTJVOJH-UHFFFAOYSA-O
HMDB61404,880.606759521,C49H87NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C49H86NO10P/c1-9-11-24-31-46-41(4)42(5)47(60-46)32-26-21-17-13-14-18-22-27-33-48(51)55-38-44(39-57-61(53,54)56-36-35-50(6,7)8)59-49(52)34-28-23-19-15-12-16-20-25-30-45-40(3)37-43(58-45)29-10-2/h37,44H,9-36,38-39H2,1-8H3/p+1",RNIHMPPKBYAUGJ,UHFFFAOYSA,O,"PC(DiMe(11,5)/MonoMe(11,3))",RNIHMPPKBYAUGJ-UHFFFAOYSA-O
HMDB61405,908.638059649,C51H91NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C51H90NO10P/c1-9-11-25-31-45-39-42(3)47(60-45)32-27-21-17-13-16-20-24-30-36-51(54)61-46(41-59-63(55,56)58-38-37-52(6,7)8)40-57-50(53)35-29-23-19-15-14-18-22-28-34-49-44(5)43(4)48(62-49)33-26-12-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1",GMDHAYJIXLGGDB,UHFFFAOYSA,O,"PC(DiMe(11,5)/MonoMe(11,5))",GMDHAYJIXLGGDB-UHFFFAOYSA-O
HMDB61406,936.669359777,C53H95NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C53H94NO10P/c1-9-11-27-33-47-41-44(3)49(62-47)34-29-23-19-15-13-14-16-22-26-32-38-53(56)63-48(43-61-65(57,58)60-40-39-54(6,7)8)42-59-52(55)37-31-25-21-18-17-20-24-30-36-51-46(5)45(4)50(64-51)35-28-12-10-2/h41,48H,9-40,42-43H2,1-8H3/p+1",DWMNTCOWSROKIS,UHFFFAOYSA,O,"PC(DiMe(11,5)/MonoMe(13,5))",DWMNTCOWSROKIS-UHFFFAOYSA-O
HMDB61407,880.606759521,C49H87NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C49H86NO10P/c1-9-11-23-29-43-37-40(3)45(58-43)30-25-19-17-18-22-28-34-49(52)59-44(39-57-61(53,54)56-36-35-50(6,7)8)38-55-48(51)33-27-21-16-14-13-15-20-26-32-47-42(5)41(4)46(60-47)31-24-12-10-2/h37,44H,9-36,38-39H2,1-8H3/p+1",NSEAOSBPJALRCD,UHFFFAOYSA,O,"PC(DiMe(11,5)/MonoMe(9,5))",NSEAOSBPJALRCD-UHFFFAOYSA-O
HMDB61408,922.653709713,C52H93NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C52H92NO10P/c1-10-12-27-33-48-44(5)45(6)50(63-48)35-29-23-19-15-13-14-16-21-25-30-36-51(54)58-40-46(41-60-64(56,57)59-39-38-53(7,8)9)61-52(55)37-31-26-22-18-17-20-24-28-34-49-43(4)42(3)47(62-49)32-11-2/h46H,10-41H2,1-9H3/p+1",MJSHZJBINQTJDE,UHFFFAOYSA,O,"PC(DiMe(13,5)/DiMe(11,3))",MJSHZJBINQTJDE-UHFFFAOYSA-O
HMDB61409,950.685009841,C54H97NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C54H96NO10P/c1-10-12-28-34-49-44(3)46(5)51(64-49)36-30-24-20-16-14-15-17-22-26-32-38-53(56)60-42-48(43-62-66(58,59)61-41-40-55(7,8)9)63-54(57)39-33-27-23-19-18-21-25-31-37-52-47(6)45(4)50(65-52)35-29-13-11-2/h48H,10-43H2,1-9H3/p+1",WSTUVUFXDUWRHJ,UHFFFAOYSA,O,"PC(DiMe(13,5)/DiMe(11,5))",WSTUVUFXDUWRHJ-UHFFFAOYSA-O
HMDB61410,978.716309969,C56H101NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C56H100NO10P/c1-10-12-30-36-51-46(3)48(5)53(66-51)38-32-26-22-18-14-16-20-24-28-34-40-55(58)62-44-50(45-64-68(60,61)63-43-42-57(7,8)9)65-56(59)41-35-29-25-21-17-15-19-23-27-33-39-54-49(6)47(4)52(67-54)37-31-13-11-2/h50H,10-45H2,1-9H3/p+1",RKMUUQFKTHBNET,UHFFFAOYSA,O,"PC(DiMe(13,5)/DiMe(13,5))",RKMUUQFKTHBNET-UHFFFAOYSA-O
HMDB61411,894.622409585,C50H89NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C50H88NO10P/c1-10-12-25-31-46-42(5)43(6)48(61-46)33-26-21-17-15-13-14-16-18-23-28-34-49(52)56-38-44(39-58-62(54,55)57-37-36-51(7,8)9)59-50(53)35-29-24-20-19-22-27-32-47-41(4)40(3)45(60-47)30-11-2/h44H,10-39H2,1-9H3/p+1",HPPLDWPQUHCCIC,UHFFFAOYSA,O,"PC(DiMe(13,5)/DiMe(9,3))",HPPLDWPQUHCCIC-UHFFFAOYSA-O
HMDB61412,922.653709713,C52H93NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C52H92NO10P/c1-10-12-26-32-47-42(3)44(5)49(62-47)34-28-22-18-16-14-15-17-19-24-30-36-51(54)58-40-46(41-60-64(56,57)59-39-38-53(7,8)9)61-52(55)37-31-25-21-20-23-29-35-50-45(6)43(4)48(63-50)33-27-13-11-2/h46H,10-41H2,1-9H3/p+1",XPJVXUNQOXUGON,UHFFFAOYSA,O,"PC(DiMe(13,5)/DiMe(9,5))",XPJVXUNQOXUGON-UHFFFAOYSA-O
HMDB61413,908.638059649,C51H91NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C51H90NO10P/c1-9-11-26-33-48-43(4)44(5)49(62-48)34-28-23-19-14-12-13-15-20-24-29-35-50(53)57-40-46(41-59-63(55,56)58-38-37-52(6,7)8)61-51(54)36-30-25-21-17-16-18-22-27-32-47-42(3)39-45(60-47)31-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1",UVCWBPGXOVDHGC,UHFFFAOYSA,O,"PC(DiMe(13,5)/MonoMe(11,3))",UVCWBPGXOVDHGC-UHFFFAOYSA-O
HMDB61414,936.669359777,C53H95NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C53H94NO10P/c1-9-11-27-33-47-41-44(3)49(62-47)34-29-23-19-17-18-22-26-32-38-53(56)63-48(43-61-65(57,58)60-40-39-54(6,7)8)42-59-52(55)37-31-25-21-16-14-13-15-20-24-30-36-51-46(5)45(4)50(64-51)35-28-12-10-2/h41,48H,9-40,42-43H2,1-8H3/p+1",PRLWJNJVYWNAPH,UHFFFAOYSA,O,"PC(DiMe(13,5)/MonoMe(11,5))",PRLWJNJVYWNAPH-UHFFFAOYSA-O
HMDB61415,964.700659905,C55H99NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C55H98NO10P/c1-9-11-29-35-49-43-46(3)51(64-49)36-31-25-21-17-13-16-20-24-28-34-40-55(58)65-50(45-63-67(59,60)62-42-41-56(6,7)8)44-61-54(57)39-33-27-23-19-15-14-18-22-26-32-38-53-48(5)47(4)52(66-53)37-30-12-10-2/h43,50H,9-42,44-45H2,1-8H3/p+1",GFCULPXTDLYGCN,UHFFFAOYSA,O,"PC(DiMe(13,5)/MonoMe(13,5))",GFCULPXTDLYGCN-UHFFFAOYSA-O
HMDB61416,908.638059649,C51H91NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C51H90NO10P/c1-9-11-25-31-45-39-42(3)47(60-45)32-27-21-19-20-24-30-36-51(54)61-46(41-59-63(55,56)58-38-37-52(6,7)8)40-57-50(53)35-29-23-18-16-14-13-15-17-22-28-34-49-44(5)43(4)48(62-49)33-26-12-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1",CCKYYJHFYJCWOD,UHFFFAOYSA,O,"PC(DiMe(13,5)/MonoMe(9,5))",CCKYYJHFYJCWOD-UHFFFAOYSA-O
HMDB61417,838.559809329,C46H81NO10P,CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,"InChI=1S/C46H80NO10P/c1-10-26-41-36(3)38(5)43(56-41)28-22-18-14-12-13-15-21-25-31-46(49)55-40(35-54-58(50,51)53-33-32-47(7,8)9)34-52-45(48)30-24-20-17-16-19-23-29-44-39(6)37(4)42(57-44)27-11-2/h40H,10-35H2,1-9H3/p+1",QTVIESUFTYOREC,UHFFFAOYSA,O,"PC(DiMe(9,3)/DiMe(11,3))",QTVIESUFTYOREC-UHFFFAOYSA-O
HMDB61418,866.591109457,C48H85NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,"InChI=1S/C48H84NO10P/c1-10-12-23-29-44-40(5)41(6)46(59-44)31-24-19-15-13-14-16-22-27-33-48(51)57-42(37-56-60(52,53)55-35-34-49(7,8)9)36-54-47(50)32-26-21-18-17-20-25-30-45-39(4)38(3)43(58-45)28-11-2/h42H,10-37H2,1-9H3/p+1",LBIJNIKFWUDSMS,UHFFFAOYSA,O,"PC(DiMe(9,3)/DiMe(11,5))",LBIJNIKFWUDSMS-UHFFFAOYSA-O
HMDB61419,894.622409585,C50H89NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,"InChI=1S/C50H88NO10P/c1-10-12-25-31-46-42(5)43(6)48(61-46)33-26-21-17-15-13-14-16-18-24-29-35-50(53)59-44(39-58-62(54,55)57-37-36-51(7,8)9)38-56-49(52)34-28-23-20-19-22-27-32-47-41(4)40(3)45(60-47)30-11-2/h44H,10-39H2,1-9H3/p+1",RFNOGLBJVWLMDV,UHFFFAOYSA,O,"PC(DiMe(9,3)/DiMe(13,5))",RFNOGLBJVWLMDV-UHFFFAOYSA-O
HMDB61420,810.528509201,C44H77NO10P,CCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C44H76NO10P/c1-10-24-39-34(3)36(5)41(54-39)26-20-16-12-14-18-22-28-43(46)50-32-38(33-52-56(48,49)51-31-30-45(7,8)9)53-44(47)29-23-19-15-13-17-21-27-42-37(6)35(4)40(55-42)25-11-2/h38H,10-33H2,1-9H3/p+1",BOFLCSBQACMYRU,UHFFFAOYSA,O,"PC(DiMe(9,3)/DiMe(9,3))",BOFLCSBQACMYRU-UHFFFAOYSA-O
HMDB61421,838.559809329,C46H81NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,"InChI=1S/C46H80NO10P/c1-10-12-21-27-42-38(5)39(6)44(57-42)29-23-18-14-16-20-25-31-46(49)55-40(35-54-58(50,51)53-33-32-47(7,8)9)34-52-45(48)30-24-19-15-13-17-22-28-43-37(4)36(3)41(56-43)26-11-2/h40H,10-35H2,1-9H3/p+1",YEBOSEKAPJRINL,UHFFFAOYSA,O,"PC(DiMe(9,3)/DiMe(9,5))",YEBOSEKAPJRINL-UHFFFAOYSA-O
HMDB61422,824.544159265,C45H79NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C45H78NO10P/c1-9-25-39-33-36(3)41(54-39)27-21-17-13-11-12-14-20-24-30-45(48)55-40(35-53-57(49,50)52-32-31-46(6,7)8)34-51-44(47)29-23-19-16-15-18-22-28-43-38(5)37(4)42(56-43)26-10-2/h33,40H,9-32,34-35H2,1-8H3/p+1",YJDIFXDKPBJXIR,UHFFFAOYSA,O,"PC(DiMe(9,3)/MonoMe(11,3))",YJDIFXDKPBJXIR-UHFFFAOYSA-O
HMDB61423,852.575459393,C47H83NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C47H82NO10P/c1-9-11-22-28-41-35-38(3)43(56-41)29-23-18-14-12-13-15-21-26-32-47(50)57-42(37-55-59(51,52)54-34-33-48(6,7)8)36-53-46(49)31-25-20-17-16-19-24-30-45-40(5)39(4)44(58-45)27-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1",WIZOHTLJAHDXPY,UHFFFAOYSA,O,"PC(DiMe(9,3)/MonoMe(11,5))",WIZOHTLJAHDXPY-UHFFFAOYSA-O
HMDB61424,880.606759521,C49H87NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C49H86NO10P/c1-9-11-24-30-43-37-40(3)45(58-43)31-25-20-16-14-12-13-15-17-23-28-34-49(52)59-44(39-57-61(53,54)56-36-35-50(6,7)8)38-55-48(51)33-27-22-19-18-21-26-32-47-42(5)41(4)46(60-47)29-10-2/h37,44H,9-36,38-39H2,1-8H3/p+1",HXCLFHCJXNSLSU,UHFFFAOYSA,O,"PC(DiMe(9,3)/MonoMe(13,5))",HXCLFHCJXNSLSU-UHFFFAOYSA-O
HMDB61425,824.544159265,C45H79NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C45H78NO10P/c1-9-11-20-26-39-33-36(3)41(54-39)27-21-16-12-15-19-24-30-45(48)55-40(35-53-57(49,50)52-32-31-46(6,7)8)34-51-44(47)29-23-18-14-13-17-22-28-43-38(5)37(4)42(56-43)25-10-2/h33,40H,9-32,34-35H2,1-8H3/p+1",AGHFPRCTCDCWRH,UHFFFAOYSA,O,"PC(DiMe(9,3)/MonoMe(9,5))",AGHFPRCTCDCWRH-UHFFFAOYSA-O
HMDB61426,866.591109457,C48H85NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C48H84NO10P/c1-10-12-23-29-44-40(5)41(6)46(59-44)31-25-20-17-18-21-26-32-47(50)54-36-42(37-56-60(52,53)55-35-34-49(7,8)9)57-48(51)33-27-22-16-14-13-15-19-24-30-45-39(4)38(3)43(58-45)28-11-2/h42H,10-37H2,1-9H3/p+1",LUXCSULTHGJOSF,UHFFFAOYSA,O,"PC(DiMe(9,5)/DiMe(11,3))",LUXCSULTHGJOSF-UHFFFAOYSA-O
HMDB61427,894.622409585,C50H89NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,"InChI=1S/C50H88NO10P/c1-10-12-24-30-45-40(3)42(5)47(60-45)32-26-20-16-14-15-17-23-29-35-50(53)59-44(39-58-62(54,55)57-37-36-51(7,8)9)38-56-49(52)34-28-22-19-18-21-27-33-48-43(6)41(4)46(61-48)31-25-13-11-2/h44H,10-39H2,1-9H3/p+1",CVRANXJFOZQQIJ,UHFFFAOYSA,O,"PC(DiMe(9,5)/DiMe(11,5))",CVRANXJFOZQQIJ-UHFFFAOYSA-O
HMDB61428,922.653709713,C52H93NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,"InChI=1S/C52H92NO10P/c1-10-12-26-32-47-42(3)44(5)49(62-47)34-28-22-18-16-14-15-17-19-25-31-37-52(55)61-46(41-60-64(56,57)59-39-38-53(7,8)9)40-58-51(54)36-30-24-21-20-23-29-35-50-45(6)43(4)48(63-50)33-27-13-11-2/h46H,10-41H2,1-9H3/p+1",UDFYHFWHIURCNJ,UHFFFAOYSA,O,"PC(DiMe(9,5)/DiMe(13,5))",UDFYHFWHIURCNJ-UHFFFAOYSA-O
HMDB61429,838.559809329,C46H81NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C46H80NO10P/c1-10-12-21-27-42-38(5)39(6)44(57-42)29-23-17-13-15-19-24-30-45(48)52-34-40(35-54-58(50,51)53-33-32-47(7,8)9)55-46(49)31-25-20-16-14-18-22-28-43-37(4)36(3)41(56-43)26-11-2/h40H,10-35H2,1-9H3/p+1",UANIKJWRSQDMPC,UHFFFAOYSA,O,"PC(DiMe(9,5)/DiMe(9,3))",UANIKJWRSQDMPC-UHFFFAOYSA-O
HMDB61430,866.591109457,C48H85NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C48H84NO10P/c1-10-12-22-28-43-38(3)40(5)45(58-43)30-24-18-14-16-20-26-32-47(50)54-36-42(37-56-60(52,53)55-35-34-49(7,8)9)57-48(51)33-27-21-17-15-19-25-31-46-41(6)39(4)44(59-46)29-23-13-11-2/h42H,10-37H2,1-9H3/p+1",IQFGDELMCIDAGV,UHFFFAOYSA,O,"PC(DiMe(9,5)/DiMe(9,5))",IQFGDELMCIDAGV-UHFFFAOYSA-O
HMDB61431,852.575459393,C47H83NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C47H82NO10P/c1-9-11-22-29-44-39(4)40(5)45(58-44)30-24-19-16-17-20-25-31-46(49)53-36-42(37-55-59(51,52)54-34-33-48(6,7)8)57-47(50)32-26-21-15-13-12-14-18-23-28-43-38(3)35-41(56-43)27-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1",NYYJKSQOJLMZOM,UHFFFAOYSA,O,"PC(DiMe(9,5)/MonoMe(11,3))",NYYJKSQOJLMZOM-UHFFFAOYSA-O
HMDB61432,880.606759521,C49H87NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C49H86NO10P/c1-9-11-23-29-43-37-40(3)45(58-43)30-25-19-15-13-14-16-22-28-34-49(52)59-44(39-57-61(53,54)56-36-35-50(6,7)8)38-55-48(51)33-27-21-18-17-20-26-32-47-42(5)41(4)46(60-47)31-24-12-10-2/h37,44H,9-36,38-39H2,1-8H3/p+1",PSEQAFGUTUOGPV,UHFFFAOYSA,O,"PC(DiMe(9,5)/MonoMe(11,5))",PSEQAFGUTUOGPV-UHFFFAOYSA-O
HMDB61433,908.638059649,C51H91NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C51H90NO10P/c1-9-11-25-31-45-39-42(3)47(60-45)32-27-21-17-15-13-14-16-18-24-30-36-51(54)61-46(41-59-63(55,56)58-38-37-52(6,7)8)40-57-50(53)35-29-23-20-19-22-28-34-49-44(5)43(4)48(62-49)33-26-12-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1",GCJHJWAKPVTTDQ,UHFFFAOYSA,O,"PC(DiMe(9,5)/MonoMe(13,5))",GCJHJWAKPVTTDQ-UHFFFAOYSA-O
HMDB61434,852.575459393,C47H83NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C47H82NO10P/c1-9-11-21-27-41-35-38(3)43(56-41)28-23-17-13-16-20-26-32-47(50)57-42(37-55-59(51,52)54-34-33-48(6,7)8)36-53-46(49)31-25-19-15-14-18-24-30-45-40(5)39(4)44(58-45)29-22-12-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1",CJWIZOOGFBCXBM,UHFFFAOYSA,O,"PC(DiMe(9,5)/MonoMe(9,5))",CJWIZOOGFBCXBM-UHFFFAOYSA-O
HMDB61435,852.575459393,C47H83NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C47H82NO10P/c1-9-27-41-35-38(3)43(56-41)29-23-19-15-11-13-17-21-25-31-46(49)53-36-42(37-55-59(51,52)54-34-33-48(6,7)8)57-47(50)32-26-22-18-14-12-16-20-24-30-45-40(5)39(4)44(58-45)28-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1",GQMGSDYOTQPTGJ,UHFFFAOYSA,O,"PC(MonoMe(11,3)/DiMe(11,3))",GQMGSDYOTQPTGJ-UHFFFAOYSA-O
HMDB61436,880.606759521,C49H87NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C49H86NO10P/c1-9-11-24-31-46-41(4)42(5)47(60-46)32-26-21-17-13-15-19-23-28-34-49(52)59-44(39-57-61(53,54)56-36-35-50(6,7)8)38-55-48(51)33-27-22-18-14-12-16-20-25-30-45-40(3)37-43(58-45)29-10-2/h37,44H,9-36,38-39H2,1-8H3/p+1",OVGARKWNANLASH,UHFFFAOYSA,O,"PC(MonoMe(11,3)/DiMe(11,5))",OVGARKWNANLASH-UHFFFAOYSA-O
HMDB61437,908.638059649,C51H91NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C51H90NO10P/c1-9-11-26-33-48-43(4)44(5)49(62-48)34-28-23-19-14-12-13-15-21-25-30-36-51(54)61-46(41-59-63(55,56)58-38-37-52(6,7)8)40-57-50(53)35-29-24-20-17-16-18-22-27-32-47-42(3)39-45(60-47)31-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1",MJSVCXJCCATIKG,UHFFFAOYSA,O,"PC(MonoMe(11,3)/DiMe(13,5))",MJSVCXJCCATIKG-UHFFFAOYSA-O
HMDB61438,824.544159265,C45H79NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C45H78NO10P/c1-9-25-39-33-36(3)41(54-39)27-21-17-13-11-12-14-19-23-29-44(47)51-34-40(35-53-57(49,50)52-32-31-46(6,7)8)55-45(48)30-24-20-16-15-18-22-28-43-38(5)37(4)42(56-43)26-10-2/h33,40H,9-32,34-35H2,1-8H3/p+1",GBCRPOWISPIBEW,UHFFFAOYSA,O,"PC(MonoMe(11,3)/DiMe(9,3))",GBCRPOWISPIBEW-UHFFFAOYSA-O
HMDB61439,852.575459393,C47H83NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C47H82NO10P/c1-9-11-22-29-44-39(4)40(5)45(58-44)30-24-19-16-17-21-26-32-47(50)57-42(37-55-59(51,52)54-34-33-48(6,7)8)36-53-46(49)31-25-20-15-13-12-14-18-23-28-43-38(3)35-41(56-43)27-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1",DGCOWKDGPFRJPN,UHFFFAOYSA,O,"PC(MonoMe(11,3)/DiMe(9,5))",DGCOWKDGPFRJPN-UHFFFAOYSA-O
HMDB61440,838.559809329,C46H81NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCC)O2)=C1C,"InChI=1S/C46H80NO10P/c1-8-26-40-34-38(3)43(55-40)28-22-18-14-10-12-16-20-24-30-45(48)52-36-42(37-54-58(50,51)53-33-32-47(5,6)7)57-46(49)31-25-21-17-13-11-15-19-23-29-44-39(4)35-41(56-44)27-9-2/h34-35,42H,8-33,36-37H2,1-7H3/p+1",IATWLRHXKRGRPF,UHFFFAOYSA,O,"PC(MonoMe(11,3)/MonoMe(11,3))",IATWLRHXKRGRPF-UHFFFAOYSA-O
HMDB61441,866.591109457,C48H85NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C48H84NO10P/c1-8-10-23-29-43-37-41(4)46(58-43)31-25-20-16-12-14-18-22-27-33-48(51)59-44(39-56-60(52,53)55-35-34-49(5,6)7)38-54-47(50)32-26-21-17-13-11-15-19-24-30-45-40(3)36-42(57-45)28-9-2/h36-37,44H,8-35,38-39H2,1-7H3/p+1",ZWNMOUZYWNCYCD,UHFFFAOYSA,O,"PC(MonoMe(11,3)/MonoMe(11,5))",ZWNMOUZYWNCYCD-UHFFFAOYSA-O
HMDB61442,894.622409585,C50H89NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C50H88NO10P/c1-8-10-25-31-45-39-43(4)48(60-45)33-27-21-17-13-11-12-14-20-24-29-35-50(53)61-46(41-58-62(54,55)57-37-36-51(5,6)7)40-56-49(52)34-28-23-19-16-15-18-22-26-32-47-42(3)38-44(59-47)30-9-2/h38-39,46H,8-37,40-41H2,1-7H3/p+1",AVVMCGZSSWSJPQ,UHFFFAOYSA,O,"PC(MonoMe(11,3)/MonoMe(13,5))",AVVMCGZSSWSJPQ-UHFFFAOYSA-O
HMDB61443,838.559809329,C46H81NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C46H80NO10P/c1-8-10-21-27-41-35-39(4)44(56-41)29-23-18-15-16-20-25-31-46(49)57-42(37-54-58(50,51)53-33-32-47(5,6)7)36-52-45(48)30-24-19-14-12-11-13-17-22-28-43-38(3)34-40(55-43)26-9-2/h34-35,42H,8-33,36-37H2,1-7H3/p+1",SAPVZOIDJUSJRK,UHFFFAOYSA,O,"PC(MonoMe(11,3)/MonoMe(9,5))",SAPVZOIDJUSJRK-UHFFFAOYSA-O
HMDB61444,880.606759521,C49H87NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C49H86NO10P/c1-9-11-24-30-43-37-40(3)45(58-43)31-25-20-16-12-14-18-22-27-33-48(51)55-38-44(39-57-61(53,54)56-36-35-50(6,7)8)59-49(52)34-28-23-19-15-13-17-21-26-32-47-42(5)41(4)46(60-47)29-10-2/h37,44H,9-36,38-39H2,1-8H3/p+1",JVSMYUAWZLZKOM,UHFFFAOYSA,O,"PC(MonoMe(11,5)/DiMe(11,3))",JVSMYUAWZLZKOM-UHFFFAOYSA-O
HMDB61445,908.638059649,C51H91NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C51H90NO10P/c1-9-11-25-31-45-39-42(3)47(60-45)32-27-21-17-13-15-19-23-29-35-50(53)57-40-46(41-59-63(55,56)58-38-37-52(6,7)8)61-51(54)36-30-24-20-16-14-18-22-28-34-49-44(5)43(4)48(62-49)33-26-12-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1",TWEHCXPNVJDJOE,UHFFFAOYSA,O,"PC(MonoMe(11,5)/DiMe(11,5))",TWEHCXPNVJDJOE-UHFFFAOYSA-O
HMDB61446,936.669359777,C53H95NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C53H94NO10P/c1-9-11-27-33-47-41-44(3)49(62-47)34-29-23-19-17-18-21-25-31-37-52(55)59-42-48(43-61-65(57,58)60-40-39-54(6,7)8)63-53(56)38-32-26-22-16-14-13-15-20-24-30-36-51-46(5)45(4)50(64-51)35-28-12-10-2/h41,48H,9-40,42-43H2,1-8H3/p+1",WWPSPPBYUQLBLK,UHFFFAOYSA,O,"PC(MonoMe(11,5)/DiMe(13,5))",WWPSPPBYUQLBLK-UHFFFAOYSA-O
HMDB61447,852.575459393,C47H83NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C47H82NO10P/c1-9-11-22-28-41-35-38(3)43(56-41)29-23-18-14-12-13-15-20-25-31-46(49)53-36-42(37-55-59(51,52)54-34-33-48(6,7)8)57-47(50)32-26-21-17-16-19-24-30-45-40(5)39(4)44(58-45)27-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1",SEWAHNKDOKCZOY,UHFFFAOYSA,O,"PC(MonoMe(11,5)/DiMe(9,3))",SEWAHNKDOKCZOY-UHFFFAOYSA-O
HMDB61448,880.606759521,C49H87NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C49H86NO10P/c1-9-11-23-29-43-37-40(3)45(58-43)30-25-19-15-13-14-16-21-27-33-48(51)55-38-44(39-57-61(53,54)56-36-35-50(6,7)8)59-49(52)34-28-22-18-17-20-26-32-47-42(5)41(4)46(60-47)31-24-12-10-2/h37,44H,9-36,38-39H2,1-8H3/p+1",FKBKOIXSZAAONG,UHFFFAOYSA,O,"PC(MonoMe(11,5)/DiMe(9,5))",FKBKOIXSZAAONG-UHFFFAOYSA-O
HMDB61449,866.591109457,C48H85NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C48H84NO10P/c1-8-10-23-29-43-37-41(4)46(58-43)31-25-20-15-11-13-17-21-26-32-47(50)54-38-44(39-56-60(52,53)55-35-34-49(5,6)7)59-48(51)33-27-22-18-14-12-16-19-24-30-45-40(3)36-42(57-45)28-9-2/h36-37,44H,8-35,38-39H2,1-7H3/p+1",KFEQEAFSKLRVBM,UHFFFAOYSA,O,"PC(MonoMe(11,5)/MonoMe(11,3))",KFEQEAFSKLRVBM-UHFFFAOYSA-O
HMDB61450,894.622409585,C50H89NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C50H88NO10P/c1-8-10-24-30-44-38-42(3)47(59-44)32-26-20-16-12-14-18-22-28-34-49(52)56-40-46(41-58-62(54,55)57-37-36-51(5,6)7)61-50(53)35-29-23-19-15-13-17-21-27-33-48-43(4)39-45(60-48)31-25-11-9-2/h38-39,46H,8-37,40-41H2,1-7H3/p+1",MWWHAYNURFDNFT,UHFFFAOYSA,O,"PC(MonoMe(11,5)/MonoMe(11,5))",MWWHAYNURFDNFT-UHFFFAOYSA-O
HMDB61451,922.653709713,C52H93NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C52H92NO10P/c1-8-10-26-32-46-40-44(3)49(61-46)34-28-22-18-14-12-13-15-21-25-31-37-52(55)63-48(43-60-64(56,57)59-39-38-53(5,6)7)42-58-51(54)36-30-24-20-17-16-19-23-29-35-50-45(4)41-47(62-50)33-27-11-9-2/h40-41,48H,8-39,42-43H2,1-7H3/p+1",FBCFMXYJNQSLGE,UHFFFAOYSA,O,"PC(MonoMe(11,5)/MonoMe(13,5))",FBCFMXYJNQSLGE-UHFFFAOYSA-O
HMDB61452,866.591109457,C48H85NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C48H84NO10P/c1-8-10-22-28-42-36-40(3)45(57-42)30-24-18-14-12-13-15-20-26-32-47(50)54-38-44(39-56-60(52,53)55-35-34-49(5,6)7)59-48(51)33-27-21-17-16-19-25-31-46-41(4)37-43(58-46)29-23-11-9-2/h36-37,44H,8-35,38-39H2,1-7H3/p+1",YXWQQTCQPYMUQG,UHFFFAOYSA,O,"PC(MonoMe(11,5)/MonoMe(9,5))",YXWQQTCQPYMUQG-UHFFFAOYSA-O
HMDB61453,908.638059649,C51H91NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C51H90NO10P/c1-9-11-26-32-45-39-42(3)47(60-45)33-27-22-18-14-12-13-15-20-24-29-35-50(53)57-40-46(41-59-63(55,56)58-38-37-52(6,7)8)61-51(54)36-30-25-21-17-16-19-23-28-34-49-44(5)43(4)48(62-49)31-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1",UNEBAKPLPZRSRO,UHFFFAOYSA,O,"PC(MonoMe(13,5)/DiMe(11,3))",UNEBAKPLPZRSRO-UHFFFAOYSA-O
HMDB61454,936.669359777,C53H95NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C53H94NO10P/c1-9-11-27-33-47-41-44(3)49(62-47)34-29-23-19-15-13-14-16-21-25-31-37-52(55)59-42-48(43-61-65(57,58)60-40-39-54(6,7)8)63-53(56)38-32-26-22-18-17-20-24-30-36-51-46(5)45(4)50(64-51)35-28-12-10-2/h41,48H,9-40,42-43H2,1-8H3/p+1",OCEZARRMPXYRQI,UHFFFAOYSA,O,"PC(MonoMe(13,5)/DiMe(11,5))",OCEZARRMPXYRQI-UHFFFAOYSA-O
HMDB61455,964.700659905,C55H99NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C55H98NO10P/c1-9-11-29-35-49-43-46(3)51(64-49)36-31-25-21-17-13-15-19-23-27-33-39-54(57)61-44-50(45-63-67(59,60)62-42-41-56(6,7)8)65-55(58)40-34-28-24-20-16-14-18-22-26-32-38-53-48(5)47(4)52(66-53)37-30-12-10-2/h43,50H,9-42,44-45H2,1-8H3/p+1",JPXWGKKIQVJFMS,UHFFFAOYSA,O,"PC(MonoMe(13,5)/DiMe(13,5))",JPXWGKKIQVJFMS-UHFFFAOYSA-O
HMDB61456,880.606759521,C49H87NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C49H86NO10P/c1-9-11-24-30-43-37-40(3)45(58-43)31-25-20-16-14-12-13-15-17-22-27-33-48(51)55-38-44(39-57-61(53,54)56-36-35-50(6,7)8)59-49(52)34-28-23-19-18-21-26-32-47-42(5)41(4)46(60-47)29-10-2/h37,44H,9-36,38-39H2,1-8H3/p+1",IQMMLEIKUNZYKZ,UHFFFAOYSA,O,"PC(MonoMe(13,5)/DiMe(9,3))",IQMMLEIKUNZYKZ-UHFFFAOYSA-O
HMDB61457,908.638059649,C51H91NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C51H90NO10P/c1-9-11-25-31-45-39-42(3)47(60-45)32-27-21-17-15-13-14-16-18-23-29-35-50(53)57-40-46(41-59-63(55,56)58-38-37-52(6,7)8)61-51(54)36-30-24-20-19-22-28-34-49-44(5)43(4)48(62-49)33-26-12-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1",DDKPCOBLNAAOIW,UHFFFAOYSA,O,"PC(MonoMe(13,5)/DiMe(9,5))",DDKPCOBLNAAOIW-UHFFFAOYSA-O
HMDB61458,894.622409585,C50H89NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C50H88NO10P/c1-8-10-25-31-45-39-43(4)48(60-45)33-27-21-17-13-11-12-14-19-23-28-34-49(52)56-40-46(41-58-62(54,55)57-37-36-51(5,6)7)61-50(53)35-29-24-20-16-15-18-22-26-32-47-42(3)38-44(59-47)30-9-2/h38-39,46H,8-37,40-41H2,1-7H3/p+1",JNRFDNTVVQUPRF,UHFFFAOYSA,O,"PC(MonoMe(13,5)/MonoMe(11,3))",JNRFDNTVVQUPRF-UHFFFAOYSA-O
HMDB61459,922.653709713,C52H93NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C52H92NO10P/c1-8-10-26-32-46-40-44(3)49(61-46)34-28-22-18-14-12-13-15-20-24-30-36-51(54)58-42-48(43-60-64(56,57)59-39-38-53(5,6)7)63-52(55)37-31-25-21-17-16-19-23-29-35-50-45(4)41-47(62-50)33-27-11-9-2/h40-41,48H,8-39,42-43H2,1-7H3/p+1",KBYMBDGRULUHLE,UHFFFAOYSA,O,"PC(MonoMe(13,5)/MonoMe(11,5))",KBYMBDGRULUHLE-UHFFFAOYSA-O
HMDB61460,950.685009841,C54H97NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C54H96NO10P/c1-8-10-28-34-48-42-46(3)51(63-48)36-30-24-20-16-12-14-18-22-26-32-38-53(56)60-44-50(45-62-66(58,59)61-41-40-55(5,6)7)65-54(57)39-33-27-23-19-15-13-17-21-25-31-37-52-47(4)43-49(64-52)35-29-11-9-2/h42-43,50H,8-41,44-45H2,1-7H3/p+1",HYMKRGXOUXAQPP,UHFFFAOYSA,O,"PC(MonoMe(13,5)/MonoMe(13,5))",HYMKRGXOUXAQPP-UHFFFAOYSA-O
HMDB61461,894.622409585,C50H89NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C50H88NO10P/c1-8-10-24-30-44-38-42(3)47(59-44)32-26-20-16-14-12-13-15-17-22-28-34-49(52)56-40-46(41-58-62(54,55)57-37-36-51(5,6)7)61-50(53)35-29-23-19-18-21-27-33-48-43(4)39-45(60-48)31-25-11-9-2/h38-39,46H,8-37,40-41H2,1-7H3/p+1",XPLGJAKMYHFPIN,UHFFFAOYSA,O,"PC(MonoMe(13,5)/MonoMe(9,5))",XPLGJAKMYHFPIN-UHFFFAOYSA-O
HMDB61462,852.575459393,C47H83NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C47H82NO10P/c1-9-11-22-28-41-35-38(3)43(56-41)29-23-18-16-17-20-25-31-46(49)53-36-42(37-55-59(51,52)54-34-33-48(6,7)8)57-47(50)32-26-21-15-13-12-14-19-24-30-45-40(5)39(4)44(58-45)27-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1",NZHBEZLJTQHIIG,UHFFFAOYSA,O,"PC(MonoMe(9,5)/DiMe(11,3))",NZHBEZLJTQHIIG-UHFFFAOYSA-O
HMDB61463,880.606759521,C49H87NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C49H86NO10P/c1-9-11-23-29-43-37-40(3)45(58-43)30-25-19-17-18-21-27-33-48(51)55-38-44(39-57-61(53,54)56-36-35-50(6,7)8)59-49(52)34-28-22-16-14-13-15-20-26-32-47-42(5)41(4)46(60-47)31-24-12-10-2/h37,44H,9-36,38-39H2,1-8H3/p+1",LHCKISBCCOJTNR,UHFFFAOYSA,O,"PC(MonoMe(9,5)/DiMe(11,5))",LHCKISBCCOJTNR-UHFFFAOYSA-O
HMDB61464,908.638059649,C51H91NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C51H90NO10P/c1-9-11-25-31-45-39-42(3)47(60-45)32-27-21-19-20-23-29-35-50(53)57-40-46(41-59-63(55,56)58-38-37-52(6,7)8)61-51(54)36-30-24-18-16-14-13-15-17-22-28-34-49-44(5)43(4)48(62-49)33-26-12-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1",MHFITKHTYLVBQI,UHFFFAOYSA,O,"PC(MonoMe(9,5)/DiMe(13,5))",MHFITKHTYLVBQI-UHFFFAOYSA-O
HMDB61465,824.544159265,C45H79NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C45H78NO10P/c1-9-11-20-26-39-33-36(3)41(54-39)27-21-16-12-14-18-23-29-44(47)51-34-40(35-53-57(49,50)52-32-31-46(6,7)8)55-45(48)30-24-19-15-13-17-22-28-43-38(5)37(4)42(56-43)25-10-2/h33,40H,9-32,34-35H2,1-8H3/p+1",JNTMNMHFXAHAPR,UHFFFAOYSA,O,"PC(MonoMe(9,5)/DiMe(9,3))",JNTMNMHFXAHAPR-UHFFFAOYSA-O
HMDB61466,852.575459393,C47H83NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C47H82NO10P/c1-9-11-21-27-41-35-38(3)43(56-41)28-23-17-13-15-19-25-31-46(49)53-36-42(37-55-59(51,52)54-34-33-48(6,7)8)57-47(50)32-26-20-16-14-18-24-30-45-40(5)39(4)44(58-45)29-22-12-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1",PRBGAXLPKNJKMM,UHFFFAOYSA,O,"PC(MonoMe(9,5)/DiMe(9,5))",PRBGAXLPKNJKMM-UHFFFAOYSA-O
HMDB61467,838.559809329,C46H81NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C46H80NO10P/c1-8-10-21-27-41-35-39(4)44(56-41)29-23-18-15-16-19-24-30-45(48)52-36-42(37-54-58(50,51)53-33-32-47(5,6)7)57-46(49)31-25-20-14-12-11-13-17-22-28-43-38(3)34-40(55-43)26-9-2/h34-35,42H,8-33,36-37H2,1-7H3/p+1",RDAWCYPCVDZAOO,UHFFFAOYSA,O,"PC(MonoMe(9,5)/MonoMe(11,3))",RDAWCYPCVDZAOO-UHFFFAOYSA-O
HMDB61468,866.591109457,C48H85NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C48H84NO10P/c1-8-10-22-28-42-36-40(3)45(57-42)30-24-18-14-12-13-15-21-27-33-48(51)59-44(39-56-60(52,53)55-35-34-49(5,6)7)38-54-47(50)32-26-20-17-16-19-25-31-46-41(4)37-43(58-46)29-23-11-9-2/h36-37,44H,8-35,38-39H2,1-7H3/p+1",DAQHGLHVCQSLJZ,UHFFFAOYSA,O,"PC(MonoMe(9,5)/MonoMe(11,5))",DAQHGLHVCQSLJZ-UHFFFAOYSA-O
HMDB61469,894.622409585,C50H89NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,"InChI=1S/C50H88NO10P/c1-8-10-24-30-44-38-42(3)47(59-44)32-26-20-16-14-12-13-15-17-23-29-35-50(53)61-46(41-58-62(54,55)57-37-36-51(5,6)7)40-56-49(52)34-28-22-19-18-21-27-33-48-43(4)39-45(60-48)31-25-11-9-2/h38-39,46H,8-37,40-41H2,1-7H3/p+1",VEORURZTKZJRRL,UHFFFAOYSA,O,"PC(MonoMe(9,5)/MonoMe(13,5))",VEORURZTKZJRRL-UHFFFAOYSA-O
HMDB61470,838.559809329,C46H81NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C46H80NO10P/c1-8-10-20-26-40-34-38(3)43(55-40)28-22-16-12-14-18-24-30-45(48)52-36-42(37-54-58(50,51)53-33-32-47(5,6)7)57-46(49)31-25-19-15-13-17-23-29-44-39(4)35-41(56-44)27-21-11-9-2/h34-35,42H,8-33,36-37H2,1-7H3/p+1",CJOLACZZLPUXTM,UHFFFAOYSA,O,"PC(MonoMe(9,5)/MonoMe(9,5))",CJOLACZZLPUXTM-UHFFFAOYSA-O
HMDB61471,823.536334233,C45H78NO10P,CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C45H78NO10P/c1-7-25-40-35(3)37(5)42(55-40)27-21-17-13-9-11-15-19-23-29-44(47)51-33-39(34-53-57(49,50)52-32-31-46)54-45(48)30-24-20-16-12-10-14-18-22-28-43-38(6)36(4)41(56-43)26-8-2/h39H,7-34,46H2,1-6H3,(H,49,50)/t39-/m1/s1",VQBRLKRUOUEDKM,LDLOPFEMSA,N,"PE(DiMe(11,3)/DiMe(11,3))",VQBRLKRUOUEDKM-LDLOPFEMSA-N
HMDB61472,851.567634361,C47H82NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,"InChI=1S/C47H82NO10P/c1-7-9-22-28-43-39(5)40(6)45(58-43)30-24-19-15-11-13-17-21-26-32-47(50)56-41(36-55-59(51,52)54-34-33-48)35-53-46(49)31-25-20-16-12-10-14-18-23-29-44-38(4)37(3)42(57-44)27-8-2/h41H,7-36,48H2,1-6H3,(H,51,52)/t41-/m1/s1",MBBDWNLBOHLHQW,VQJSHJPSSA,N,"PE(DiMe(11,3)/DiMe(11,5))",MBBDWNLBOHLHQW-VQJSHJPSSA-N
HMDB61473,879.598934489,C49H86NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,"InChI=1S/C49H86NO10P/c1-7-9-24-30-45-41(5)42(6)47(60-45)32-26-20-16-12-10-11-13-19-23-28-34-49(52)58-43(38-57-61(53,54)56-36-35-50)37-55-48(51)33-27-22-18-15-14-17-21-25-31-46-40(4)39(3)44(59-46)29-8-2/h43H,7-38,50H2,1-6H3,(H,53,54)/t43-/m1/s1",CDNPWVGGWXNTBR,VZUYHUTRSA,N,"PE(DiMe(11,3)/DiMe(13,5))",CDNPWVGGWXNTBR-VZUYHUTRSA-N
HMDB61474,795.505034105,C43H74NO10P,CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C43H74NO10P/c1-7-23-38-33(3)35(5)40(53-38)25-19-15-11-9-10-12-17-21-27-42(45)49-31-37(32-51-55(47,48)50-30-29-44)52-43(46)28-22-18-14-13-16-20-26-41-36(6)34(4)39(54-41)24-8-2/h37H,7-32,44H2,1-6H3,(H,47,48)/t37-/m1/s1",IKURMHUPQRXPBN,DIPNUNPCSA,N,"PE(DiMe(11,3)/DiMe(9,3))",IKURMHUPQRXPBN-DIPNUNPCSA-N
HMDB61475,823.536334233,C45H78NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,"InChI=1S/C45H78NO10P/c1-7-9-20-26-41-37(5)38(6)43(56-41)28-22-17-14-15-19-24-30-45(48)54-39(34-53-57(49,50)52-32-31-46)33-51-44(47)29-23-18-13-11-10-12-16-21-27-42-36(4)35(3)40(55-42)25-8-2/h39H,7-34,46H2,1-6H3,(H,49,50)/t39-/m1/s1",VSHHKILRKUXFOP,LDLOPFEMSA,N,"PE(DiMe(11,3)/DiMe(9,5))",VSHHKILRKUXFOP-LDLOPFEMSA-N
HMDB61476,809.520684169,C44H76NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C44H76NO10P/c1-6-24-38-32-35(3)40(53-38)26-20-16-12-8-11-15-19-23-29-44(47)54-39(34-52-56(48,49)51-31-30-45)33-50-43(46)28-22-18-14-10-9-13-17-21-27-42-37(5)36(4)41(55-42)25-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1",YIPLQRMNKXZEQO,LDLOPFEMSA,N,"PE(DiMe(11,3)/MonoMe(11,3))",YIPLQRMNKXZEQO-LDLOPFEMSA-N
HMDB61477,837.551984297,C46H80NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C46H80NO10P/c1-6-8-21-27-40-34-37(3)42(55-40)28-22-17-13-9-12-16-20-25-31-46(49)56-41(36-54-58(50,51)53-33-32-47)35-52-45(48)30-24-19-15-11-10-14-18-23-29-44-39(5)38(4)43(57-44)26-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1",AHCHXAGVCWXTHZ,VQJSHJPSSA,N,"PE(DiMe(11,3)/MonoMe(11,5))",AHCHXAGVCWXTHZ-VQJSHJPSSA-N
HMDB61478,865.583284425,C48H84NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C48H84NO10P/c1-6-8-23-29-42-36-39(3)44(57-42)30-24-19-15-11-9-10-12-18-22-27-33-48(51)58-43(38-56-60(52,53)55-35-34-49)37-54-47(50)32-26-21-17-14-13-16-20-25-31-46-41(5)40(4)45(59-46)28-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1",UAMPKQWQTADZOO,VZUYHUTRSA,N,"PE(DiMe(11,3)/MonoMe(13,5))",UAMPKQWQTADZOO-VZUYHUTRSA-N
HMDB61479,809.520684169,C44H76NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C44H76NO10P/c1-6-8-19-25-38-32-35(3)40(53-38)26-20-15-13-14-18-23-29-44(47)54-39(34-52-56(48,49)51-31-30-45)33-50-43(46)28-22-17-12-10-9-11-16-21-27-42-37(5)36(4)41(55-42)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1",RFQITZJCQHFFOS,LDLOPFEMSA,N,"PE(DiMe(11,3)/MonoMe(9,5))",RFQITZJCQHFFOS-LDLOPFEMSA-N
HMDB61480,851.567634361,C47H82NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C47H82NO10P/c1-7-9-22-28-43-39(5)40(6)45(58-43)30-24-19-14-10-12-16-20-25-31-46(49)53-35-41(36-55-59(51,52)54-34-33-48)56-47(50)32-26-21-17-13-11-15-18-23-29-44-38(4)37(3)42(57-44)27-8-2/h41H,7-36,48H2,1-6H3,(H,51,52)/t41-/m1/s1",FSUFBULDCCHDBQ,VQJSHJPSSA,N,"PE(DiMe(11,5)/DiMe(11,3))",FSUFBULDCCHDBQ-VQJSHJPSSA-N
HMDB61481,879.598934489,C49H86NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C49H86NO10P/c1-7-9-23-29-44-39(3)41(5)46(59-44)31-25-19-15-11-13-17-21-27-33-48(51)55-37-43(38-57-61(53,54)56-36-35-50)58-49(52)34-28-22-18-14-12-16-20-26-32-47-42(6)40(4)45(60-47)30-24-10-8-2/h43H,7-38,50H2,1-6H3,(H,53,54)/t43-/m1/s1",IBAYQVACCJSDJX,VZUYHUTRSA,N,"PE(DiMe(11,5)/DiMe(11,5))",IBAYQVACCJSDJX-VZUYHUTRSA-N
HMDB61482,907.630234617,C51H90NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)O1,"InChI=1S/C51H90NO10P/c1-7-9-25-31-46-41(3)43(5)48(61-46)33-27-21-17-13-11-12-14-20-24-30-36-51(54)60-45(40-59-63(55,56)58-38-37-52)39-57-50(53)35-29-23-19-16-15-18-22-28-34-49-44(6)42(4)47(62-49)32-26-10-8-2/h45H,7-40,52H2,1-6H3,(H,55,56)/t45-/m1/s1",ITYKVNCCHSCSRQ,WBVITSLISA,N,"PE(DiMe(11,5)/DiMe(13,5))",ITYKVNCCHSCSRQ-WBVITSLISA-N
HMDB61483,823.536334233,C45H78NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C45H78NO10P/c1-7-9-20-26-41-37(5)38(6)43(56-41)28-21-16-12-10-11-13-18-23-29-44(47)51-33-39(34-53-57(49,50)52-32-31-46)54-45(48)30-24-19-15-14-17-22-27-42-36(4)35(3)40(55-42)25-8-2/h39H,7-34,46H2,1-6H3,(H,49,50)/t39-/m1/s1",OVXIMROCPJPGIZ,LDLOPFEMSA,N,"PE(DiMe(11,5)/DiMe(9,3))",OVXIMROCPJPGIZ-LDLOPFEMSA-N
HMDB61484,851.567634361,C47H82NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C47H82NO10P/c1-7-9-21-27-42-37(3)39(5)44(57-42)29-23-17-13-11-12-14-19-25-31-46(49)53-35-41(36-55-59(51,52)54-34-33-48)56-47(50)32-26-20-16-15-18-24-30-45-40(6)38(4)43(58-45)28-22-10-8-2/h41H,7-36,48H2,1-6H3,(H,51,52)/t41-/m1/s1",UMAKAUPUJTZMPV,VQJSHJPSSA,N,"PE(DiMe(11,5)/DiMe(9,5))",UMAKAUPUJTZMPV-VQJSHJPSSA-N
HMDB61485,837.551984297,C46H80NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C46H80NO10P/c1-6-8-21-28-43-38(4)39(5)44(57-43)29-23-18-14-10-11-15-19-24-30-45(48)52-35-41(36-54-58(50,51)53-33-32-47)56-46(49)31-25-20-16-12-9-13-17-22-27-42-37(3)34-40(55-42)26-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1",RUXQHMBOPKQIJE,VQJSHJPSSA,N,"PE(DiMe(11,5)/MonoMe(11,3))",RUXQHMBOPKQIJE-VQJSHJPSSA-N
HMDB61486,865.583284425,C48H84NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C48H84NO10P/c1-6-8-22-28-42-36-39(3)44(57-42)29-24-18-14-10-13-17-21-27-33-48(51)58-43(38-56-60(52,53)55-35-34-49)37-54-47(50)32-26-20-16-12-11-15-19-25-31-46-41(5)40(4)45(59-46)30-23-9-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1",PYFCFCHMLIUMLO,VZUYHUTRSA,N,"PE(DiMe(11,5)/MonoMe(11,5))",PYFCFCHMLIUMLO-VZUYHUTRSA-N
HMDB61487,893.614584553,C50H88NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C50H88NO10P/c1-6-8-24-30-44-38-41(3)46(59-44)31-26-20-16-12-10-11-13-19-23-29-35-50(53)60-45(40-58-62(54,55)57-37-36-51)39-56-49(52)34-28-22-18-15-14-17-21-27-33-48-43(5)42(4)47(61-48)32-25-9-7-2/h38,45H,6-37,39-40,51H2,1-5H3,(H,54,55)/t45-/m1/s1",WDYHIEHMTFODHG,WBVITSLISA,N,"PE(DiMe(11,5)/MonoMe(13,5))",WDYHIEHMTFODHG-WBVITSLISA-N
HMDB61488,837.551984297,C46H80NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C46H80NO10P/c1-6-8-20-26-40-34-37(3)42(55-40)27-22-16-14-15-19-25-31-46(49)56-41(36-54-58(50,51)53-33-32-47)35-52-45(48)30-24-18-13-11-10-12-17-23-29-44-39(5)38(4)43(57-44)28-21-9-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1",UKJFUNPVYVYNRX,VQJSHJPSSA,N,"PE(DiMe(11,5)/MonoMe(9,5))",UKJFUNPVYVYNRX-VQJSHJPSSA-N
HMDB61489,879.598934489,C49H86NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C49H86NO10P/c1-7-9-24-30-45-41(5)42(6)47(60-45)32-26-20-16-12-10-11-13-18-22-27-33-48(51)55-37-43(38-57-61(53,54)56-36-35-50)58-49(52)34-28-23-19-15-14-17-21-25-31-46-40(4)39(3)44(59-46)29-8-2/h43H,7-38,50H2,1-6H3,(H,53,54)/t43-/m1/s1",NKKQINAZXXBALB,VZUYHUTRSA,N,"PE(DiMe(13,5)/DiMe(11,3))",NKKQINAZXXBALB-VZUYHUTRSA-N
HMDB61490,907.630234617,C51H90NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C51H90NO10P/c1-7-9-25-31-46-41(3)43(5)48(61-46)33-27-21-17-13-11-12-14-19-23-29-35-50(53)57-39-45(40-59-63(55,56)58-38-37-52)60-51(54)36-30-24-20-16-15-18-22-28-34-49-44(6)42(4)47(62-49)32-26-10-8-2/h45H,7-40,52H2,1-6H3,(H,55,56)/t45-/m1/s1",IJPBBGGHYYXFCB,WBVITSLISA,N,"PE(DiMe(13,5)/DiMe(11,5))",IJPBBGGHYYXFCB-WBVITSLISA-N
HMDB61491,935.661534745,C53H94NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C53H94NO10P/c1-7-9-27-33-48-43(3)45(5)50(63-48)35-29-23-19-15-11-13-17-21-25-31-37-52(55)59-41-47(42-61-65(57,58)60-40-39-54)62-53(56)38-32-26-22-18-14-12-16-20-24-30-36-51-46(6)44(4)49(64-51)34-28-10-8-2/h47H,7-42,54H2,1-6H3,(H,57,58)/t47-/m1/s1",STZVDMLJLPGTBD,QZNUWAOFSA,N,"PE(DiMe(13,5)/DiMe(13,5))",STZVDMLJLPGTBD-QZNUWAOFSA-N
HMDB61492,851.567634361,C47H82NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C47H82NO10P/c1-7-9-22-28-43-39(5)40(6)45(58-43)30-23-18-14-12-10-11-13-15-20-25-31-46(49)53-35-41(36-55-59(51,52)54-34-33-48)56-47(50)32-26-21-17-16-19-24-29-44-38(4)37(3)42(57-44)27-8-2/h41H,7-36,48H2,1-6H3,(H,51,52)/t41-/m1/s1",UPJSQZCSXROTMY,VQJSHJPSSA,N,"PE(DiMe(13,5)/DiMe(9,3))",UPJSQZCSXROTMY-VQJSHJPSSA-N
HMDB61493,879.598934489,C49H86NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C49H86NO10P/c1-7-9-23-29-44-39(3)41(5)46(59-44)31-25-19-15-13-11-12-14-16-21-27-33-48(51)55-37-43(38-57-61(53,54)56-36-35-50)58-49(52)34-28-22-18-17-20-26-32-47-42(6)40(4)45(60-47)30-24-10-8-2/h43H,7-38,50H2,1-6H3,(H,53,54)/t43-/m1/s1",KGXSJVZKWYUWOJ,VZUYHUTRSA,N,"PE(DiMe(13,5)/DiMe(9,5))",KGXSJVZKWYUWOJ-VZUYHUTRSA-N
HMDB61494,865.583284425,C48H84NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C48H84NO10P/c1-6-8-23-30-45-40(4)41(5)46(59-45)31-25-20-16-11-9-10-12-17-21-26-32-47(50)54-37-43(38-56-60(52,53)55-35-34-49)58-48(51)33-27-22-18-14-13-15-19-24-29-44-39(3)36-42(57-44)28-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1",JDJZKGQIIUFPHQ,VZUYHUTRSA,N,"PE(DiMe(13,5)/MonoMe(11,3))",JDJZKGQIIUFPHQ-VZUYHUTRSA-N
HMDB61495,893.614584553,C50H88NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C50H88NO10P/c1-6-8-24-30-44-38-41(3)46(59-44)31-26-20-16-14-15-19-23-29-35-50(53)60-45(40-58-62(54,55)57-37-36-51)39-56-49(52)34-28-22-18-13-11-10-12-17-21-27-33-48-43(5)42(4)47(61-48)32-25-9-7-2/h38,45H,6-37,39-40,51H2,1-5H3,(H,54,55)/t45-/m1/s1",KYWBAAGMBQKNKK,WBVITSLISA,N,"PE(DiMe(13,5)/MonoMe(11,5))",KYWBAAGMBQKNKK-WBVITSLISA-N
HMDB61496,921.645884681,C52H92NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C52H92NO10P/c1-6-8-26-32-46-40-43(3)48(61-46)33-28-22-18-14-10-13-17-21-25-31-37-52(55)62-47(42-60-64(56,57)59-39-38-53)41-58-51(54)36-30-24-20-16-12-11-15-19-23-29-35-50-45(5)44(4)49(63-50)34-27-9-7-2/h40,47H,6-39,41-42,53H2,1-5H3,(H,56,57)/t47-/m1/s1",SFDVEJFAUFZEKM,QZNUWAOFSA,N,"PE(DiMe(13,5)/MonoMe(13,5))",SFDVEJFAUFZEKM-QZNUWAOFSA-N
HMDB61497,865.583284425,C48H84NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C48H84NO10P/c1-6-8-22-28-42-36-39(3)44(57-42)29-24-18-16-17-21-27-33-48(51)58-43(38-56-60(52,53)55-35-34-49)37-54-47(50)32-26-20-15-13-11-10-12-14-19-25-31-46-41(5)40(4)45(59-46)30-23-9-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1",YIJSTZXJWKZMSD,VZUYHUTRSA,N,"PE(DiMe(13,5)/MonoMe(9,5))",YIJSTZXJWKZMSD-VZUYHUTRSA-N
HMDB61498,795.505034105,C43H74NO10P,CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,"InChI=1S/C43H74NO10P/c1-7-23-38-33(3)35(5)40(53-38)25-19-15-11-9-10-12-18-22-28-43(46)52-37(32-51-55(47,48)50-30-29-44)31-49-42(45)27-21-17-14-13-16-20-26-41-36(6)34(4)39(54-41)24-8-2/h37H,7-32,44H2,1-6H3,(H,47,48)/t37-/m1/s1",RLPARTUZNJZBQS,DIPNUNPCSA,N,"PE(DiMe(9,3)/DiMe(11,3))",RLPARTUZNJZBQS-DIPNUNPCSA-N
HMDB61499,823.536334233,C45H78NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,"InChI=1S/C45H78NO10P/c1-7-9-20-26-41-37(5)38(6)43(56-41)28-21-16-12-10-11-13-19-24-30-45(48)54-39(34-53-57(49,50)52-32-31-46)33-51-44(47)29-23-18-15-14-17-22-27-42-36(4)35(3)40(55-42)25-8-2/h39H,7-34,46H2,1-6H3,(H,49,50)/t39-/m1/s1",GAZXWZGFGHMZKZ,LDLOPFEMSA,N,"PE(DiMe(9,3)/DiMe(11,5))",GAZXWZGFGHMZKZ-LDLOPFEMSA-N
HMDB61500,851.567634361,C47H82NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,"InChI=1S/C47H82NO10P/c1-7-9-22-28-43-39(5)40(6)45(58-43)30-23-18-14-12-10-11-13-15-21-26-32-47(50)56-41(36-55-59(51,52)54-34-33-48)35-53-46(49)31-25-20-17-16-19-24-29-44-38(4)37(3)42(57-44)27-8-2/h41H,7-36,48H2,1-6H3,(H,51,52)/t41-/m1/s1",YXEDWZZNCBHZJN,VQJSHJPSSA,N,"PE(DiMe(9,3)/DiMe(13,5))",YXEDWZZNCBHZJN-VQJSHJPSSA-N
HMDB61501,767.473733977,C41H70NO10P,CCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C41H70NO10P/c1-7-21-36-31(3)33(5)38(51-36)23-17-13-9-11-15-19-25-40(43)47-29-35(30-49-53(45,46)48-28-27-42)50-41(44)26-20-16-12-10-14-18-24-39-34(6)32(4)37(52-39)22-8-2/h35H,7-30,42H2,1-6H3,(H,45,46)/t35-/m1/s1",JZTBVIMTIWLPNI,PGUFJCEWSA,N,"PE(DiMe(9,3)/DiMe(9,3))",JZTBVIMTIWLPNI-PGUFJCEWSA-N
HMDB61502,795.505034105,C43H74NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,"InChI=1S/C43H74NO10P/c1-7-9-18-24-39-35(5)36(6)41(54-39)26-20-15-11-13-17-22-28-43(46)52-37(32-51-55(47,48)50-30-29-44)31-49-42(45)27-21-16-12-10-14-19-25-40-34(4)33(3)38(53-40)23-8-2/h37H,7-32,44H2,1-6H3,(H,47,48)/t37-/m1/s1",VCEAAWSDLGGTJV,DIPNUNPCSA,N,"PE(DiMe(9,3)/DiMe(9,5))",VCEAAWSDLGGTJV-DIPNUNPCSA-N
HMDB61503,781.489384041,C42H72NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C42H72NO10P/c1-6-22-36-30-33(3)38(51-36)24-18-14-10-8-9-11-17-21-27-42(45)52-37(32-50-54(46,47)49-29-28-43)31-48-41(44)26-20-16-13-12-15-19-25-40-35(5)34(4)39(53-40)23-7-2/h30,37H,6-29,31-32,43H2,1-5H3,(H,46,47)/t37-/m1/s1",XPGQMTGMWSPEBU,DIPNUNPCSA,N,"PE(DiMe(9,3)/MonoMe(11,3))",XPGQMTGMWSPEBU-DIPNUNPCSA-N
HMDB61504,809.520684169,C44H76NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C44H76NO10P/c1-6-8-19-25-38-32-35(3)40(53-38)26-20-15-11-9-10-12-18-23-29-44(47)54-39(34-52-56(48,49)51-31-30-45)33-50-43(46)28-22-17-14-13-16-21-27-42-37(5)36(4)41(55-42)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1",PFKDWIRBJLFCOG,LDLOPFEMSA,N,"PE(DiMe(9,3)/MonoMe(11,5))",PFKDWIRBJLFCOG-LDLOPFEMSA-N
HMDB61505,837.551984297,C46H80NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C46H80NO10P/c1-6-8-21-27-40-34-37(3)42(55-40)28-22-17-13-11-9-10-12-14-20-25-31-46(49)56-41(36-54-58(50,51)53-33-32-47)35-52-45(48)30-24-19-16-15-18-23-29-44-39(5)38(4)43(57-44)26-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1",IFMRRAJTAAOPDW,VQJSHJPSSA,N,"PE(DiMe(9,3)/MonoMe(13,5))",IFMRRAJTAAOPDW-VQJSHJPSSA-N
HMDB61506,781.489384041,C42H72NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C42H72NO10P/c1-6-8-17-23-36-30-33(3)38(51-36)24-18-13-9-12-16-21-27-42(45)52-37(32-50-54(46,47)49-29-28-43)31-48-41(44)26-20-15-11-10-14-19-25-40-35(5)34(4)39(53-40)22-7-2/h30,37H,6-29,31-32,43H2,1-5H3,(H,46,47)/t37-/m1/s1",PFYJCQMYELCGMH,DIPNUNPCSA,N,"PE(DiMe(9,3)/MonoMe(9,5))",PFYJCQMYELCGMH-DIPNUNPCSA-N
HMDB61507,823.536334233,C45H78NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C45H78NO10P/c1-7-9-20-26-41-37(5)38(6)43(56-41)28-22-17-14-15-18-23-29-44(47)51-33-39(34-53-57(49,50)52-32-31-46)54-45(48)30-24-19-13-11-10-12-16-21-27-42-36(4)35(3)40(55-42)25-8-2/h39H,7-34,46H2,1-6H3,(H,49,50)/t39-/m1/s1",BJSNJACKVVXGMK,LDLOPFEMSA,N,"PE(DiMe(9,5)/DiMe(11,3))",BJSNJACKVVXGMK-LDLOPFEMSA-N
HMDB61508,851.567634361,C47H82NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)O1,"InChI=1S/C47H82NO10P/c1-7-9-21-27-42-37(3)39(5)44(57-42)29-23-17-13-11-12-14-20-26-32-47(50)56-41(36-55-59(51,52)54-34-33-48)35-53-46(49)31-25-19-16-15-18-24-30-45-40(6)38(4)43(58-45)28-22-10-8-2/h41H,7-36,48H2,1-6H3,(H,51,52)/t41-/m1/s1",ILDWCMDENGCZOT,VQJSHJPSSA,N,"PE(DiMe(9,5)/DiMe(11,5))",ILDWCMDENGCZOT-VQJSHJPSSA-N
HMDB61509,879.598934489,C49H86NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)O1,"InChI=1S/C49H86NO10P/c1-7-9-23-29-44-39(3)41(5)46(59-44)31-25-19-15-13-11-12-14-16-22-28-34-49(52)58-43(38-57-61(53,54)56-36-35-50)37-55-48(51)33-27-21-18-17-20-26-32-47-42(6)40(4)45(60-47)30-24-10-8-2/h43H,7-38,50H2,1-6H3,(H,53,54)/t43-/m1/s1",TULNLNOLKATUQO,VZUYHUTRSA,N,"PE(DiMe(9,5)/DiMe(13,5))",TULNLNOLKATUQO-VZUYHUTRSA-N
HMDB61510,795.505034105,C43H74NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C43H74NO10P/c1-7-9-18-24-39-35(5)36(6)41(54-39)26-20-14-10-12-16-21-27-42(45)49-31-37(32-51-55(47,48)50-30-29-44)52-43(46)28-22-17-13-11-15-19-25-40-34(4)33(3)38(53-40)23-8-2/h37H,7-32,44H2,1-6H3,(H,47,48)/t37-/m1/s1",FNKVLGMFDALBPA,DIPNUNPCSA,N,"PE(DiMe(9,5)/DiMe(9,3))",FNKVLGMFDALBPA-DIPNUNPCSA-N
HMDB61511,823.536334233,C45H78NO10P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C45H78NO10P/c1-7-9-19-25-40-35(3)37(5)42(55-40)27-21-15-11-13-17-23-29-44(47)51-33-39(34-53-57(49,50)52-32-31-46)54-45(48)30-24-18-14-12-16-22-28-43-38(6)36(4)41(56-43)26-20-10-8-2/h39H,7-34,46H2,1-6H3,(H,49,50)/t39-/m1/s1",IWZLYZMNVSDNKE,LDLOPFEMSA,N,"PE(DiMe(9,5)/DiMe(9,5))",IWZLYZMNVSDNKE-LDLOPFEMSA-N
HMDB61512,809.520684169,C44H76NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C44H76NO10P/c1-6-8-19-26-41-36(4)37(5)42(55-41)27-21-16-13-14-17-22-28-43(46)50-33-39(34-52-56(48,49)51-31-30-45)54-44(47)29-23-18-12-10-9-11-15-20-25-40-35(3)32-38(53-40)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1",PECWTAFYUBFXOI,LDLOPFEMSA,N,"PE(DiMe(9,5)/MonoMe(11,3))",PECWTAFYUBFXOI-LDLOPFEMSA-N
HMDB61513,837.551984297,C46H80NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C46H80NO10P/c1-6-8-20-26-40-34-37(3)42(55-40)27-22-16-12-10-11-13-19-25-31-46(49)56-41(36-54-58(50,51)53-33-32-47)35-52-45(48)30-24-18-15-14-17-23-29-44-39(5)38(4)43(57-44)28-21-9-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1",UFBXUGDACIXAFX,VQJSHJPSSA,N,"PE(DiMe(9,5)/MonoMe(11,5))",UFBXUGDACIXAFX-VQJSHJPSSA-N
HMDB61514,865.583284425,C48H84NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C48H84NO10P/c1-6-8-22-28-42-36-39(3)44(57-42)29-24-18-14-12-10-11-13-15-21-27-33-48(51)58-43(38-56-60(52,53)55-35-34-49)37-54-47(50)32-26-20-17-16-19-25-31-46-41(5)40(4)45(59-46)30-23-9-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1",RIFNIAQYHYCODX,VZUYHUTRSA,N,"PE(DiMe(9,5)/MonoMe(13,5))",RIFNIAQYHYCODX-VZUYHUTRSA-N
HMDB61515,809.520684169,C44H76NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C44H76NO10P/c1-6-8-18-24-38-32-35(3)40(53-38)25-20-14-10-13-17-23-29-44(47)54-39(34-52-56(48,49)51-31-30-45)33-50-43(46)28-22-16-12-11-15-21-27-42-37(5)36(4)41(55-42)26-19-9-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1",VSNRXIDJMRRTIP,LDLOPFEMSA,N,"PE(DiMe(9,5)/MonoMe(9,5))",VSNRXIDJMRRTIP-LDLOPFEMSA-N
HMDB61516,809.520684169,C44H76NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C44H76NO10P/c1-6-24-38-32-35(3)40(53-38)26-20-16-12-8-10-14-18-22-28-43(46)50-33-39(34-52-56(48,49)51-31-30-45)54-44(47)29-23-19-15-11-9-13-17-21-27-42-37(5)36(4)41(55-42)25-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1",HMCBTJTXAYIWPI,LDLOPFEMSA,N,"PE(MonoMe(11,3)/DiMe(11,3))",HMCBTJTXAYIWPI-LDLOPFEMSA-N
HMDB61517,837.551984297,C46H80NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C46H80NO10P/c1-6-8-21-28-43-38(4)39(5)44(57-43)29-23-18-14-10-12-16-20-25-31-46(49)56-41(36-54-58(50,51)53-33-32-47)35-52-45(48)30-24-19-15-11-9-13-17-22-27-42-37(3)34-40(55-42)26-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1",GVWDGLVDLCSHFR,VQJSHJPSSA,N,"PE(MonoMe(11,3)/DiMe(11,5))",GVWDGLVDLCSHFR-VQJSHJPSSA-N
HMDB61518,865.583284425,C48H84NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C48H84NO10P/c1-6-8-23-30-45-40(4)41(5)46(59-45)31-25-20-16-11-9-10-12-18-22-27-33-48(51)58-43(38-56-60(52,53)55-35-34-49)37-54-47(50)32-26-21-17-14-13-15-19-24-29-44-39(3)36-42(57-44)28-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1",RBPBWTHCJGYSHV,VZUYHUTRSA,N,"PE(MonoMe(11,3)/DiMe(13,5))",RBPBWTHCJGYSHV-VZUYHUTRSA-N
HMDB61519,781.489384041,C42H72NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C42H72NO10P/c1-6-22-36-30-33(3)38(51-36)24-18-14-10-8-9-11-16-20-26-41(44)48-31-37(32-50-54(46,47)49-29-28-43)52-42(45)27-21-17-13-12-15-19-25-40-35(5)34(4)39(53-40)23-7-2/h30,37H,6-29,31-32,43H2,1-5H3,(H,46,47)/t37-/m1/s1",JBMBWUYTJAATSR,DIPNUNPCSA,N,"PE(MonoMe(11,3)/DiMe(9,3))",JBMBWUYTJAATSR-DIPNUNPCSA-N
HMDB61520,809.520684169,C44H76NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C44H76NO10P/c1-6-8-19-26-41-36(4)37(5)42(55-41)27-21-16-13-14-18-23-29-44(47)54-39(34-52-56(48,49)51-31-30-45)33-50-43(46)28-22-17-12-10-9-11-15-20-25-40-35(3)32-38(53-40)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1",IBLHROXOYXNZKK,LDLOPFEMSA,N,"PE(MonoMe(11,3)/DiMe(9,5))",IBLHROXOYXNZKK-LDLOPFEMSA-N
HMDB61521,795.505034105,C43H74NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCC)O2)=C1C,"InChI=1S/C43H74NO10P/c1-5-23-37-31-35(3)40(52-37)25-19-15-11-7-9-13-17-21-27-42(45)49-33-39(34-51-55(47,48)50-30-29-44)54-43(46)28-22-18-14-10-8-12-16-20-26-41-36(4)32-38(53-41)24-6-2/h31-32,39H,5-30,33-34,44H2,1-4H3,(H,47,48)/t39-/m1/s1",RHJUTTHFLNPFCW,LDLOPFEMSA,N,"PE(MonoMe(11,3)/MonoMe(11,3))",RHJUTTHFLNPFCW-LDLOPFEMSA-N
HMDB61522,823.536334233,C45H78NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C45H78NO10P/c1-5-7-20-26-40-34-38(4)43(55-40)28-22-17-13-9-11-15-19-24-30-45(48)56-41(36-53-57(49,50)52-32-31-46)35-51-44(47)29-23-18-14-10-8-12-16-21-27-42-37(3)33-39(54-42)25-6-2/h33-34,41H,5-32,35-36,46H2,1-4H3,(H,49,50)/t41-/m1/s1",RVDJJHCMDIGKFU,VQJSHJPSSA,N,"PE(MonoMe(11,3)/MonoMe(11,5))",RVDJJHCMDIGKFU-VQJSHJPSSA-N
HMDB61523,851.567634361,C47H82NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C47H82NO10P/c1-5-7-22-28-42-36-40(4)45(57-42)30-24-18-14-10-8-9-11-17-21-26-32-47(50)58-43(38-55-59(51,52)54-34-33-48)37-53-46(49)31-25-20-16-13-12-15-19-23-29-44-39(3)35-41(56-44)27-6-2/h35-36,43H,5-34,37-38,48H2,1-4H3,(H,51,52)/t43-/m1/s1",MIRGZDGOLCASGT,VZUYHUTRSA,N,"PE(MonoMe(11,3)/MonoMe(13,5))",MIRGZDGOLCASGT-VZUYHUTRSA-N
HMDB61524,795.505034105,C43H74NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C43H74NO10P/c1-5-7-18-24-38-32-36(4)41(53-38)26-20-15-12-13-17-22-28-43(46)54-39(34-51-55(47,48)50-30-29-44)33-49-42(45)27-21-16-11-9-8-10-14-19-25-40-35(3)31-37(52-40)23-6-2/h31-32,39H,5-30,33-34,44H2,1-4H3,(H,47,48)/t39-/m1/s1",IINUPOOZFQMYDP,LDLOPFEMSA,N,"PE(MonoMe(11,3)/MonoMe(9,5))",IINUPOOZFQMYDP-LDLOPFEMSA-N
HMDB61525,837.551984297,C46H80NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C46H80NO10P/c1-6-8-21-27-40-34-37(3)42(55-40)28-22-17-13-9-11-15-19-24-30-45(48)52-35-41(36-54-58(50,51)53-33-32-47)56-46(49)31-25-20-16-12-10-14-18-23-29-44-39(5)38(4)43(57-44)26-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1",DRLRATSJMXSICF,VQJSHJPSSA,N,"PE(MonoMe(11,5)/DiMe(11,3))",DRLRATSJMXSICF-VQJSHJPSSA-N
HMDB61526,865.583284425,C48H84NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C48H84NO10P/c1-6-8-22-28-42-36-39(3)44(57-42)29-24-18-14-10-12-16-20-26-32-47(50)54-37-43(38-56-60(52,53)55-35-34-49)58-48(51)33-27-21-17-13-11-15-19-25-31-46-41(5)40(4)45(59-46)30-23-9-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1",QWURUWOAGXSLFG,VZUYHUTRSA,N,"PE(MonoMe(11,5)/DiMe(11,5))",QWURUWOAGXSLFG-VZUYHUTRSA-N
HMDB61527,893.614584553,C50H88NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C50H88NO10P/c1-6-8-24-30-44-38-41(3)46(59-44)31-26-20-16-14-15-18-22-28-34-49(52)56-39-45(40-58-62(54,55)57-37-36-51)60-50(53)35-29-23-19-13-11-10-12-17-21-27-33-48-43(5)42(4)47(61-48)32-25-9-7-2/h38,45H,6-37,39-40,51H2,1-5H3,(H,54,55)/t45-/m1/s1",MSZKNLRRNYTLAI,WBVITSLISA,N,"PE(MonoMe(11,5)/DiMe(13,5))",MSZKNLRRNYTLAI-WBVITSLISA-N
HMDB61528,809.520684169,C44H76NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C44H76NO10P/c1-6-8-19-25-38-32-35(3)40(53-38)26-20-15-11-9-10-12-17-22-28-43(46)50-33-39(34-52-56(48,49)51-31-30-45)54-44(47)29-23-18-14-13-16-21-27-42-37(5)36(4)41(55-42)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1",PEJQCWSFWGGXSW,LDLOPFEMSA,N,"PE(MonoMe(11,5)/DiMe(9,3))",PEJQCWSFWGGXSW-LDLOPFEMSA-N
HMDB61529,837.551984297,C46H80NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C46H80NO10P/c1-6-8-20-26-40-34-37(3)42(55-40)27-22-16-12-10-11-13-18-24-30-45(48)52-35-41(36-54-58(50,51)53-33-32-47)56-46(49)31-25-19-15-14-17-23-29-44-39(5)38(4)43(57-44)28-21-9-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1",VYUMIBISJHCRNL,VQJSHJPSSA,N,"PE(MonoMe(11,5)/DiMe(9,5))",VYUMIBISJHCRNL-VQJSHJPSSA-N
HMDB61530,823.536334233,C45H78NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C45H78NO10P/c1-5-7-20-26-40-34-38(4)43(55-40)28-22-17-12-8-10-14-18-23-29-44(47)51-35-41(36-53-57(49,50)52-32-31-46)56-45(48)30-24-19-15-11-9-13-16-21-27-42-37(3)33-39(54-42)25-6-2/h33-34,41H,5-32,35-36,46H2,1-4H3,(H,49,50)/t41-/m1/s1",WMQADRJXTNXYPP,VQJSHJPSSA,N,"PE(MonoMe(11,5)/MonoMe(11,3))",WMQADRJXTNXYPP-VQJSHJPSSA-N
HMDB61531,851.567634361,C47H82NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C47H82NO10P/c1-5-7-21-27-41-35-39(3)44(56-41)29-23-17-13-9-11-15-19-25-31-46(49)53-37-43(38-55-59(51,52)54-34-33-48)58-47(50)32-26-20-16-12-10-14-18-24-30-45-40(4)36-42(57-45)28-22-8-6-2/h35-36,43H,5-34,37-38,48H2,1-4H3,(H,51,52)/t43-/m1/s1",XFGUURNHBLGDEU,VZUYHUTRSA,N,"PE(MonoMe(11,5)/MonoMe(11,5))",XFGUURNHBLGDEU-VZUYHUTRSA-N
HMDB61532,879.598934489,C49H86NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C49H86NO10P/c1-5-7-23-29-43-37-41(3)46(58-43)31-25-19-15-11-9-10-12-18-22-28-34-49(52)60-45(40-57-61(53,54)56-36-35-50)39-55-48(51)33-27-21-17-14-13-16-20-26-32-47-42(4)38-44(59-47)30-24-8-6-2/h37-38,45H,5-36,39-40,50H2,1-4H3,(H,53,54)/t45-/m1/s1",NDSAPLGRLHBFNC,WBVITSLISA,N,"PE(MonoMe(11,5)/MonoMe(13,5))",NDSAPLGRLHBFNC-WBVITSLISA-N
HMDB61533,823.536334233,C45H78NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C45H78NO10P/c1-5-7-19-25-39-33-37(3)42(54-39)27-21-15-11-9-10-12-17-23-29-44(47)51-35-41(36-53-57(49,50)52-32-31-46)56-45(48)30-24-18-14-13-16-22-28-43-38(4)34-40(55-43)26-20-8-6-2/h33-34,41H,5-32,35-36,46H2,1-4H3,(H,49,50)/t41-/m1/s1",BFUVHNGMFBMFPO,VQJSHJPSSA,N,"PE(MonoMe(11,5)/MonoMe(9,5))",BFUVHNGMFBMFPO-VQJSHJPSSA-N
HMDB61534,865.583284425,C48H84NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C48H84NO10P/c1-6-8-23-29-42-36-39(3)44(57-42)30-24-19-15-11-9-10-12-17-21-26-32-47(50)54-37-43(38-56-60(52,53)55-35-34-49)58-48(51)33-27-22-18-14-13-16-20-25-31-46-41(5)40(4)45(59-46)28-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1",NOOMLCJVQOOHQF,VZUYHUTRSA,N,"PE(MonoMe(13,5)/DiMe(11,3))",NOOMLCJVQOOHQF-VZUYHUTRSA-N
HMDB61535,893.614584553,C50H88NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C50H88NO10P/c1-6-8-24-30-44-38-41(3)46(59-44)31-26-20-16-12-10-11-13-18-22-28-34-49(52)56-39-45(40-58-62(54,55)57-37-36-51)60-50(53)35-29-23-19-15-14-17-21-27-33-48-43(5)42(4)47(61-48)32-25-9-7-2/h38,45H,6-37,39-40,51H2,1-5H3,(H,54,55)/t45-/m1/s1",AMSMHLPHJZYXML,WBVITSLISA,N,"PE(MonoMe(13,5)/DiMe(11,5))",AMSMHLPHJZYXML-WBVITSLISA-N
HMDB61536,921.645884681,C52H92NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C52H92NO10P/c1-6-8-26-32-46-40-43(3)48(61-46)33-28-22-18-14-10-12-16-20-24-30-36-51(54)58-41-47(42-60-64(56,57)59-39-38-53)62-52(55)37-31-25-21-17-13-11-15-19-23-29-35-50-45(5)44(4)49(63-50)34-27-9-7-2/h40,47H,6-39,41-42,53H2,1-5H3,(H,56,57)/t47-/m1/s1",IOYAIJYRLVCGHS,QZNUWAOFSA,N,"PE(MonoMe(13,5)/DiMe(13,5))",IOYAIJYRLVCGHS-QZNUWAOFSA-N
HMDB61537,837.551984297,C46H80NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C46H80NO10P/c1-6-8-21-27-40-34-37(3)42(55-40)28-22-17-13-11-9-10-12-14-19-24-30-45(48)52-35-41(36-54-58(50,51)53-33-32-47)56-46(49)31-25-20-16-15-18-23-29-44-39(5)38(4)43(57-44)26-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1",JBYSNRAENDGASA,VQJSHJPSSA,N,"PE(MonoMe(13,5)/DiMe(9,3))",JBYSNRAENDGASA-VQJSHJPSSA-N
HMDB61538,865.583284425,C48H84NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C48H84NO10P/c1-6-8-22-28-42-36-39(3)44(57-42)29-24-18-14-12-10-11-13-15-20-26-32-47(50)54-37-43(38-56-60(52,53)55-35-34-49)58-48(51)33-27-21-17-16-19-25-31-46-41(5)40(4)45(59-46)30-23-9-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1",SWGHXDZVLCABGZ,VZUYHUTRSA,N,"PE(MonoMe(13,5)/DiMe(9,5))",SWGHXDZVLCABGZ-VZUYHUTRSA-N
HMDB61539,851.567634361,C47H82NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C47H82NO10P/c1-5-7-22-28-42-36-40(4)45(57-42)30-24-18-14-10-8-9-11-16-20-25-31-46(49)53-37-43(38-55-59(51,52)54-34-33-48)58-47(50)32-26-21-17-13-12-15-19-23-29-44-39(3)35-41(56-44)27-6-2/h35-36,43H,5-34,37-38,48H2,1-4H3,(H,51,52)/t43-/m1/s1",PSGCAFYNLGKHJX,VZUYHUTRSA,N,"PE(MonoMe(13,5)/MonoMe(11,3))",PSGCAFYNLGKHJX-VZUYHUTRSA-N
HMDB61540,879.598934489,C49H86NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C49H86NO10P/c1-5-7-23-29-43-37-41(3)46(58-43)31-25-19-15-11-9-10-12-17-21-27-33-48(51)55-39-45(40-57-61(53,54)56-36-35-50)60-49(52)34-28-22-18-14-13-16-20-26-32-47-42(4)38-44(59-47)30-24-8-6-2/h37-38,45H,5-36,39-40,50H2,1-4H3,(H,53,54)/t45-/m1/s1",NEASWXMUXNGYQT,WBVITSLISA,N,"PE(MonoMe(13,5)/MonoMe(11,5))",NEASWXMUXNGYQT-WBVITSLISA-N
HMDB61541,907.630234617,C51H90NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C51H90NO10P/c1-5-7-25-31-45-39-43(3)48(60-45)33-27-21-17-13-9-11-15-19-23-29-35-50(53)57-41-47(42-59-63(55,56)58-38-37-52)62-51(54)36-30-24-20-16-12-10-14-18-22-28-34-49-44(4)40-46(61-49)32-26-8-6-2/h39-40,47H,5-38,41-42,52H2,1-4H3,(H,55,56)/t47-/m1/s1",XBSWWNAOCKLXBI,QZNUWAOFSA,N,"PE(MonoMe(13,5)/MonoMe(13,5))",XBSWWNAOCKLXBI-QZNUWAOFSA-N
HMDB61542,851.567634361,C47H82NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C47H82NO10P/c1-5-7-21-27-41-35-39(3)44(56-41)29-23-17-13-11-9-10-12-14-19-25-31-46(49)53-37-43(38-55-59(51,52)54-34-33-48)58-47(50)32-26-20-16-15-18-24-30-45-40(4)36-42(57-45)28-22-8-6-2/h35-36,43H,5-34,37-38,48H2,1-4H3,(H,51,52)/t43-/m1/s1",ROGHTLIYFLPTHA,VZUYHUTRSA,N,"PE(MonoMe(13,5)/MonoMe(9,5))",ROGHTLIYFLPTHA-VZUYHUTRSA-N
HMDB61543,809.520684169,C44H76NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C44H76NO10P/c1-6-8-19-25-38-32-35(3)40(53-38)26-20-15-13-14-17-22-28-43(46)50-33-39(34-52-56(48,49)51-31-30-45)54-44(47)29-23-18-12-10-9-11-16-21-27-42-37(5)36(4)41(55-42)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1",BLANZBPGDGJZGJ,LDLOPFEMSA,N,"PE(MonoMe(9,5)/DiMe(11,3))",BLANZBPGDGJZGJ-LDLOPFEMSA-N
HMDB61544,837.551984297,C46H80NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C46H80NO10P/c1-6-8-20-26-40-34-37(3)42(55-40)27-22-16-14-15-18-24-30-45(48)52-35-41(36-54-58(50,51)53-33-32-47)56-46(49)31-25-19-13-11-10-12-17-23-29-44-39(5)38(4)43(57-44)28-21-9-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1",PTILQGRSQBJSHO,VQJSHJPSSA,N,"PE(MonoMe(9,5)/DiMe(11,5))",PTILQGRSQBJSHO-VQJSHJPSSA-N
HMDB61545,865.583284425,C48H84NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C48H84NO10P/c1-6-8-22-28-42-36-39(3)44(57-42)29-24-18-16-17-20-26-32-47(50)54-37-43(38-56-60(52,53)55-35-34-49)58-48(51)33-27-21-15-13-11-10-12-14-19-25-31-46-41(5)40(4)45(59-46)30-23-9-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1",YZJFGAHPPSKFAG,VZUYHUTRSA,N,"PE(MonoMe(9,5)/DiMe(13,5))",YZJFGAHPPSKFAG-VZUYHUTRSA-N
HMDB61546,781.489384041,C42H72NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C42H72NO10P/c1-6-8-17-23-36-30-33(3)38(51-36)24-18-13-9-11-15-20-26-41(44)48-31-37(32-50-54(46,47)49-29-28-43)52-42(45)27-21-16-12-10-14-19-25-40-35(5)34(4)39(53-40)22-7-2/h30,37H,6-29,31-32,43H2,1-5H3,(H,46,47)/t37-/m1/s1",FSLVFJCVQKJJDZ,DIPNUNPCSA,N,"PE(MonoMe(9,5)/DiMe(9,3))",FSLVFJCVQKJJDZ-DIPNUNPCSA-N
HMDB61547,809.520684169,C44H76NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C44H76NO10P/c1-6-8-18-24-38-32-35(3)40(53-38)25-20-14-10-12-16-22-28-43(46)50-33-39(34-52-56(48,49)51-31-30-45)54-44(47)29-23-17-13-11-15-21-27-42-37(5)36(4)41(55-42)26-19-9-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1",OVMQJFPBAHULAB,LDLOPFEMSA,N,"PE(MonoMe(9,5)/DiMe(9,5))",OVMQJFPBAHULAB-LDLOPFEMSA-N
HMDB61548,795.505034105,C43H74NO10P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C43H74NO10P/c1-5-7-18-24-38-32-36(4)41(53-38)26-20-15-12-13-16-21-27-42(45)49-33-39(34-51-55(47,48)50-30-29-44)54-43(46)28-22-17-11-9-8-10-14-19-25-40-35(3)31-37(52-40)23-6-2/h31-32,39H,5-30,33-34,44H2,1-4H3,(H,47,48)/t39-/m1/s1",OZXPHUZGFTXFNM,LDLOPFEMSA,N,"PE(MonoMe(9,5)/MonoMe(11,3))",OZXPHUZGFTXFNM-LDLOPFEMSA-N
HMDB61549,823.536334233,C45H78NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C45H78NO10P/c1-5-7-19-25-39-33-37(3)42(54-39)27-21-15-11-9-10-12-18-24-30-45(48)56-41(36-53-57(49,50)52-32-31-46)35-51-44(47)29-23-17-14-13-16-22-28-43-38(4)34-40(55-43)26-20-8-6-2/h33-34,41H,5-32,35-36,46H2,1-4H3,(H,49,50)/t41-/m1/s1",WTQFWRQFSDVZGS,VQJSHJPSSA,N,"PE(MonoMe(9,5)/MonoMe(11,5))",WTQFWRQFSDVZGS-VQJSHJPSSA-N
HMDB61550,851.567634361,C47H82NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,"InChI=1S/C47H82NO10P/c1-5-7-21-27-41-35-39(3)44(56-41)29-23-17-13-11-9-10-12-14-20-26-32-47(50)58-43(38-55-59(51,52)54-34-33-48)37-53-46(49)31-25-19-16-15-18-24-30-45-40(4)36-42(57-45)28-22-8-6-2/h35-36,43H,5-34,37-38,48H2,1-4H3,(H,51,52)/t43-/m1/s1",XHRKARRIWCHBLV,VZUYHUTRSA,N,"PE(MonoMe(9,5)/MonoMe(13,5))",XHRKARRIWCHBLV-VZUYHUTRSA-N
HMDB61551,795.505034105,C43H74NO10P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C43H74NO10P/c1-5-7-17-23-37-31-35(3)40(52-37)25-19-13-9-11-15-21-27-42(45)49-33-39(34-51-55(47,48)50-30-29-44)54-43(46)28-22-16-12-10-14-20-26-41-36(4)32-38(53-41)24-18-8-6-2/h31-32,39H,5-30,33-34,44H2,1-4H3,(H,47,48)/t39-/m1/s1",SCYOTUFGGDJTAS,LDLOPFEMSA,N,"PE(MonoMe(9,5)/MonoMe(9,5))",SCYOTUFGGDJTAS-LDLOPFEMSA-N
HMDB61552,865.510513413,C46H76NO12P,CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C46H78NO12P/c1-7-25-40-34(3)36(5)42(58-40)27-21-17-13-9-11-15-19-23-29-44(48)54-31-38(32-55-60(52,53)56-33-39(47)46(50)51)57-45(49)30-24-20-16-12-10-14-18-22-28-43-37(6)35(4)41(59-43)26-8-2/h38-39H,7-33,47H2,1-6H3,(H,50,51)(H,52,53)/p-2/t38-,39?/m1/s1",GEBZEXLPFXOQHT,SWGHGFEUSA,L,"PS(DiMe(11,3)/DiMe(11,3))",GEBZEXLPFXOQHT-SWGHGFEUSA-L
HMDB61553,893.541813541,C48H80NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)O1,"InChI=1S/C48H82NO12P/c1-7-9-22-28-43-38(5)39(6)45(61-43)30-24-19-15-11-13-17-21-26-32-47(51)59-40(34-57-62(54,55)58-35-41(49)48(52)53)33-56-46(50)31-25-20-16-12-10-14-18-23-29-44-37(4)36(3)42(60-44)27-8-2/h40-41H,7-35,49H2,1-6H3,(H,52,53)(H,54,55)/p-2/t40-,41?/m1/s1",HEQPZQKSJRRKBZ,AXHXVYJZSA,L,"PS(DiMe(11,3)/DiMe(11,5))",HEQPZQKSJRRKBZ-AXHXVYJZSA-L
HMDB61554,921.573113669,C50H84NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)O1,"InChI=1S/C50H86NO12P/c1-7-9-24-30-45-40(5)41(6)47(63-45)32-26-20-16-12-10-11-13-19-23-28-34-49(53)61-42(36-59-64(56,57)60-37-43(51)50(54)55)35-58-48(52)33-27-22-18-15-14-17-21-25-31-46-39(4)38(3)44(62-46)29-8-2/h42-43H,7-37,51H2,1-6H3,(H,54,55)(H,56,57)/p-2/t42-,43?/m1/s1",PJNQDNSRCUWPPT,YXOISFJGSA,L,"PS(DiMe(11,3)/DiMe(13,5))",PJNQDNSRCUWPPT-YXOISFJGSA-L
HMDB61555,837.479213285,C44H72NO12P,CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C44H74NO12P/c1-7-23-38-32(3)34(5)40(56-38)25-19-15-11-9-10-12-17-21-27-42(46)52-29-36(30-53-58(50,51)54-31-37(45)44(48)49)55-43(47)28-22-18-14-13-16-20-26-41-35(6)33(4)39(57-41)24-8-2/h36-37H,7-31,45H2,1-6H3,(H,48,49)(H,50,51)/p-2/t36-,37?/m1/s1",OVAAHOPQDWPMKM,RKROREJRSA,L,"PS(DiMe(11,3)/DiMe(9,3))",OVAAHOPQDWPMKM-RKROREJRSA-L
HMDB61556,865.510513413,C46H76NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)O1,"InChI=1S/C46H78NO12P/c1-7-9-20-26-41-36(5)37(6)43(59-41)28-22-17-14-15-19-24-30-45(49)57-38(32-55-60(52,53)56-33-39(47)46(50)51)31-54-44(48)29-23-18-13-11-10-12-16-21-27-42-35(4)34(3)40(58-42)25-8-2/h38-39H,7-33,47H2,1-6H3,(H,50,51)(H,52,53)/p-2/t38-,39?/m1/s1",HTULEYJTTROFSX,SWGHGFEUSA,L,"PS(DiMe(11,3)/DiMe(9,5))",HTULEYJTTROFSX-SWGHGFEUSA-L
HMDB61557,851.494863349,C45H74NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C45H76NO12P/c1-6-24-37-30-34(3)40(56-37)26-20-16-12-8-11-15-19-23-29-44(48)57-38(32-54-59(51,52)55-33-39(46)45(49)50)31-53-43(47)28-22-18-14-10-9-13-17-21-27-42-36(5)35(4)41(58-42)25-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)/p-2/t38-,39?/m1/s1",UFPATSMMJDLXQS,SWGHGFEUSA,L,"PS(DiMe(11,3)/MonoMe(11,3))",UFPATSMMJDLXQS-SWGHGFEUSA-L
HMDB61558,879.526163477,C47H78NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C47H80NO12P/c1-6-8-21-27-39-32-36(3)42(58-39)28-22-17-13-9-12-16-20-25-31-46(50)59-40(34-56-61(53,54)57-35-41(48)47(51)52)33-55-45(49)30-24-19-15-11-10-14-18-23-29-44-38(5)37(4)43(60-44)26-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)/p-2/t40-,41?/m1/s1",RRKUINPIOUMQGR,AXHXVYJZSA,L,"PS(DiMe(11,3)/MonoMe(11,5))",RRKUINPIOUMQGR-AXHXVYJZSA-L
HMDB61559,907.557463605,C49H82NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C49H84NO12P/c1-6-8-23-29-41-34-38(3)44(60-41)30-24-19-15-11-9-10-12-18-22-27-33-48(52)61-42(36-58-63(55,56)59-37-43(50)49(53)54)35-57-47(51)32-26-21-17-14-13-16-20-25-31-46-40(5)39(4)45(62-46)28-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)/p-2/t42-,43?/m1/s1",RRAJBYVSWYXFLA,YXOISFJGSA,L,"PS(DiMe(11,3)/MonoMe(13,5))",RRAJBYVSWYXFLA-YXOISFJGSA-L
HMDB61560,851.494863349,C45H74NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C45H76NO12P/c1-6-8-19-25-37-30-34(3)40(56-37)26-20-15-13-14-18-23-29-44(48)57-38(32-54-59(51,52)55-33-39(46)45(49)50)31-53-43(47)28-22-17-12-10-9-11-16-21-27-42-36(5)35(4)41(58-42)24-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)/p-2/t38-,39?/m1/s1",RZTACVCZWCEVEA,SWGHGFEUSA,L,"PS(DiMe(11,3)/MonoMe(9,5))",RZTACVCZWCEVEA-SWGHGFEUSA-L
HMDB61561,893.541813541,C48H80NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C48H82NO12P/c1-7-9-22-28-43-38(5)39(6)45(61-43)30-24-19-14-10-12-16-20-25-31-46(50)56-33-40(34-57-62(54,55)58-35-41(49)48(52)53)59-47(51)32-26-21-17-13-11-15-18-23-29-44-37(4)36(3)42(60-44)27-8-2/h40-41H,7-35,49H2,1-6H3,(H,52,53)(H,54,55)/p-2/t40-,41?/m1/s1",SBWYEOXYAREICM,AXHXVYJZSA,L,"PS(DiMe(11,5)/DiMe(11,3))",SBWYEOXYAREICM-AXHXVYJZSA-L
HMDB61562,921.573113669,C50H84NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C50H86NO12P/c1-7-9-23-29-44-38(3)40(5)46(62-44)31-25-19-15-11-13-17-21-27-33-48(52)58-35-42(36-59-64(56,57)60-37-43(51)50(54)55)61-49(53)34-28-22-18-14-12-16-20-26-32-47-41(6)39(4)45(63-47)30-24-10-8-2/h42-43H,7-37,51H2,1-6H3,(H,54,55)(H,56,57)/p-2/t42-,43?/m1/s1",YCHYDGKEWUDMSP,YXOISFJGSA,L,"PS(DiMe(11,5)/DiMe(11,5))",YCHYDGKEWUDMSP-YXOISFJGSA-L
HMDB61563,949.604413797,C52H88NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)O1,"InChI=1S/C52H90NO12P/c1-7-9-25-31-46-40(3)42(5)48(64-46)33-27-21-17-13-11-12-14-20-24-30-36-51(55)63-44(38-61-66(58,59)62-39-45(53)52(56)57)37-60-50(54)35-29-23-19-16-15-18-22-28-34-49-43(6)41(4)47(65-49)32-26-10-8-2/h44-45H,7-39,53H2,1-6H3,(H,56,57)(H,58,59)/p-2/t44-,45?/m1/s1",GWVSZWDSPBCKSQ,XWQRBYOQSA,L,"PS(DiMe(11,5)/DiMe(13,5))",GWVSZWDSPBCKSQ-XWQRBYOQSA-L
HMDB61564,865.510513413,C46H76NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C46H78NO12P/c1-7-9-20-26-41-36(5)37(6)43(59-41)28-21-16-12-10-11-13-18-23-29-44(48)54-31-38(32-55-60(52,53)56-33-39(47)46(50)51)57-45(49)30-24-19-15-14-17-22-27-42-35(4)34(3)40(58-42)25-8-2/h38-39H,7-33,47H2,1-6H3,(H,50,51)(H,52,53)/p-2/t38-,39?/m1/s1",NERABSYISRGKSI,SWGHGFEUSA,L,"PS(DiMe(11,5)/DiMe(9,3))",NERABSYISRGKSI-SWGHGFEUSA-L
HMDB61565,893.541813541,C48H80NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C48H82NO12P/c1-7-9-21-27-42-36(3)38(5)44(60-42)29-23-17-13-11-12-14-19-25-31-46(50)56-33-40(34-57-62(54,55)58-35-41(49)48(52)53)59-47(51)32-26-20-16-15-18-24-30-45-39(6)37(4)43(61-45)28-22-10-8-2/h40-41H,7-35,49H2,1-6H3,(H,52,53)(H,54,55)/p-2/t40-,41?/m1/s1",MZCHQUPJRSRWTG,AXHXVYJZSA,L,"PS(DiMe(11,5)/DiMe(9,5))",MZCHQUPJRSRWTG-AXHXVYJZSA-L
HMDB61566,879.526163477,C47H78NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C47H80NO12P/c1-6-8-21-28-43-37(4)38(5)44(60-43)29-23-18-14-10-11-15-19-24-30-45(49)55-33-40(34-56-61(53,54)57-35-41(48)47(51)52)59-46(50)31-25-20-16-12-9-13-17-22-27-42-36(3)32-39(58-42)26-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)/p-2/t40-,41?/m1/s1",RRAYFVZXQUJIPM,AXHXVYJZSA,L,"PS(DiMe(11,5)/MonoMe(11,3))",RRAYFVZXQUJIPM-AXHXVYJZSA-L
HMDB61567,907.557463605,C49H82NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C49H84NO12P/c1-6-8-22-28-41-34-38(3)44(60-41)29-24-18-14-10-13-17-21-27-33-48(52)61-42(36-58-63(55,56)59-37-43(50)49(53)54)35-57-47(51)32-26-20-16-12-11-15-19-25-31-46-40(5)39(4)45(62-46)30-23-9-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)/p-2/t42-,43?/m1/s1",RMPARCFPBKUTMF,YXOISFJGSA,L,"PS(DiMe(11,5)/MonoMe(11,5))",RMPARCFPBKUTMF-YXOISFJGSA-L
HMDB61568,935.588763733,C51H86NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C51H88NO12P/c1-6-8-24-30-43-36-40(3)46(62-43)31-26-20-16-12-10-11-13-19-23-29-35-50(54)63-44(38-60-65(57,58)61-39-45(52)51(55)56)37-59-49(53)34-28-22-18-15-14-17-21-27-33-48-42(5)41(4)47(64-48)32-25-9-7-2/h36,44-45H,6-35,37-39,52H2,1-5H3,(H,55,56)(H,57,58)/p-2/t44-,45?/m1/s1",YGMQDGIEJHVJFN,XWQRBYOQSA,L,"PS(DiMe(11,5)/MonoMe(13,5))",YGMQDGIEJHVJFN-XWQRBYOQSA-L
HMDB61569,879.526163477,C47H78NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C47H80NO12P/c1-6-8-20-26-39-32-36(3)42(58-39)27-22-16-14-15-19-25-31-46(50)59-40(34-56-61(53,54)57-35-41(48)47(51)52)33-55-45(49)30-24-18-13-11-10-12-17-23-29-44-38(5)37(4)43(60-44)28-21-9-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)/p-2/t40-,41?/m1/s1",FDVDPNLOTWQGOH,AXHXVYJZSA,L,"PS(DiMe(11,5)/MonoMe(9,5))",FDVDPNLOTWQGOH-AXHXVYJZSA-L
HMDB61570,921.573113669,C50H84NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C50H86NO12P/c1-7-9-24-30-45-40(5)41(6)47(63-45)32-26-20-16-12-10-11-13-18-22-27-33-48(52)58-35-42(36-59-64(56,57)60-37-43(51)50(54)55)61-49(53)34-28-23-19-15-14-17-21-25-31-46-39(4)38(3)44(62-46)29-8-2/h42-43H,7-37,51H2,1-6H3,(H,54,55)(H,56,57)/p-2/t42-,43?/m1/s1",ILXOJKKZUMDHRT,YXOISFJGSA,L,"PS(DiMe(13,5)/DiMe(11,3))",ILXOJKKZUMDHRT-YXOISFJGSA-L
HMDB61571,949.604413797,C52H88NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C52H90NO12P/c1-7-9-25-31-46-40(3)42(5)48(64-46)33-27-21-17-13-11-12-14-19-23-29-35-50(54)60-37-44(38-61-66(58,59)62-39-45(53)52(56)57)63-51(55)36-30-24-20-16-15-18-22-28-34-49-43(6)41(4)47(65-49)32-26-10-8-2/h44-45H,7-39,53H2,1-6H3,(H,56,57)(H,58,59)/p-2/t44-,45?/m1/s1",VPFVHYPUQNLVRM,XWQRBYOQSA,L,"PS(DiMe(13,5)/DiMe(11,5))",VPFVHYPUQNLVRM-XWQRBYOQSA-L
HMDB61572,977.635713925,C54H92NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C54H94NO12P/c1-7-9-27-33-48-42(3)44(5)50(66-48)35-29-23-19-15-11-13-17-21-25-31-37-52(56)62-39-46(40-63-68(60,61)64-41-47(55)54(58)59)65-53(57)38-32-26-22-18-14-12-16-20-24-30-36-51-45(6)43(4)49(67-51)34-28-10-8-2/h46-47H,7-41,55H2,1-6H3,(H,58,59)(H,60,61)/p-2/t46-,47?/m1/s1",FCNURIXTSOPMGD,XBOAOLCQSA,L,"PS(DiMe(13,5)/DiMe(13,5))",FCNURIXTSOPMGD-XBOAOLCQSA-L
HMDB61573,893.541813541,C48H80NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C48H82NO12P/c1-7-9-22-28-43-38(5)39(6)45(61-43)30-23-18-14-12-10-11-13-15-20-25-31-46(50)56-33-40(34-57-62(54,55)58-35-41(49)48(52)53)59-47(51)32-26-21-17-16-19-24-29-44-37(4)36(3)42(60-44)27-8-2/h40-41H,7-35,49H2,1-6H3,(H,52,53)(H,54,55)/p-2/t40-,41?/m1/s1",MADAIGLKMNUFJD,AXHXVYJZSA,L,"PS(DiMe(13,5)/DiMe(9,3))",MADAIGLKMNUFJD-AXHXVYJZSA-L
HMDB61574,921.573113669,C50H84NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C50H86NO12P/c1-7-9-23-29-44-38(3)40(5)46(62-44)31-25-19-15-13-11-12-14-16-21-27-33-48(52)58-35-42(36-59-64(56,57)60-37-43(51)50(54)55)61-49(53)34-28-22-18-17-20-26-32-47-41(6)39(4)45(63-47)30-24-10-8-2/h42-43H,7-37,51H2,1-6H3,(H,54,55)(H,56,57)/p-2/t42-,43?/m1/s1",BCZFECLWGPKBTI,YXOISFJGSA,L,"PS(DiMe(13,5)/DiMe(9,5))",BCZFECLWGPKBTI-YXOISFJGSA-L
HMDB61575,907.557463605,C49H82NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C49H84NO12P/c1-6-8-23-30-45-39(4)40(5)46(62-45)31-25-20-16-11-9-10-12-17-21-26-32-47(51)57-35-42(36-58-63(55,56)59-37-43(50)49(53)54)61-48(52)33-27-22-18-14-13-15-19-24-29-44-38(3)34-41(60-44)28-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)/p-2/t42-,43?/m1/s1",ZGYGVNXPUOCTLO,YXOISFJGSA,L,"PS(DiMe(13,5)/MonoMe(11,3))",ZGYGVNXPUOCTLO-YXOISFJGSA-L
HMDB61576,935.588763733,C51H86NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C51H88NO12P/c1-6-8-24-30-43-36-40(3)46(62-43)31-26-20-16-14-15-19-23-29-35-50(54)63-44(38-60-65(57,58)61-39-45(52)51(55)56)37-59-49(53)34-28-22-18-13-11-10-12-17-21-27-33-48-42(5)41(4)47(64-48)32-25-9-7-2/h36,44-45H,6-35,37-39,52H2,1-5H3,(H,55,56)(H,57,58)/p-2/t44-,45?/m1/s1",IDEWJTNRENLEEN,XWQRBYOQSA,L,"PS(DiMe(13,5)/MonoMe(11,5))",IDEWJTNRENLEEN-XWQRBYOQSA-L
HMDB61577,963.620063861,C53H90NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C53H92NO12P/c1-6-8-26-32-45-38-42(3)48(64-45)33-28-22-18-14-10-13-17-21-25-31-37-52(56)65-46(40-62-67(59,60)63-41-47(54)53(57)58)39-61-51(55)36-30-24-20-16-12-11-15-19-23-29-35-50-44(5)43(4)49(66-50)34-27-9-7-2/h38,46-47H,6-37,39-41,54H2,1-5H3,(H,57,58)(H,59,60)/p-2/t46-,47?/m1/s1",HAAYLQUHCBLEKD,XBOAOLCQSA,L,"PS(DiMe(13,5)/MonoMe(13,5))",HAAYLQUHCBLEKD-XBOAOLCQSA-L
HMDB61578,907.557463605,C49H82NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C49H84NO12P/c1-6-8-22-28-41-34-38(3)44(60-41)29-24-18-16-17-21-27-33-48(52)61-42(36-58-63(55,56)59-37-43(50)49(53)54)35-57-47(51)32-26-20-15-13-11-10-12-14-19-25-31-46-40(5)39(4)45(62-46)30-23-9-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)/p-2/t42-,43?/m1/s1",SYVBIJSUIRHOTM,YXOISFJGSA,L,"PS(DiMe(13,5)/MonoMe(9,5))",SYVBIJSUIRHOTM-YXOISFJGSA-L
HMDB61579,837.479213285,C44H72NO12P,CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)O1,"InChI=1S/C44H74NO12P/c1-7-23-38-32(3)34(5)40(56-38)25-19-15-11-9-10-12-18-22-28-43(47)55-36(30-53-58(50,51)54-31-37(45)44(48)49)29-52-42(46)27-21-17-14-13-16-20-26-41-35(6)33(4)39(57-41)24-8-2/h36-37H,7-31,45H2,1-6H3,(H,48,49)(H,50,51)/p-2/t36-,37?/m1/s1",YLXUJPJJHUFBRF,RKROREJRSA,L,"PS(DiMe(9,3)/DiMe(11,3))",YLXUJPJJHUFBRF-RKROREJRSA-L
HMDB61580,865.510513413,C46H76NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)O1,"InChI=1S/C46H78NO12P/c1-7-9-20-26-41-36(5)37(6)43(59-41)28-21-16-12-10-11-13-19-24-30-45(49)57-38(32-55-60(52,53)56-33-39(47)46(50)51)31-54-44(48)29-23-18-15-14-17-22-27-42-35(4)34(3)40(58-42)25-8-2/h38-39H,7-33,47H2,1-6H3,(H,50,51)(H,52,53)/p-2/t38-,39?/m1/s1",SDDSXDQHTMXWKW,SWGHGFEUSA,L,"PS(DiMe(9,3)/DiMe(11,5))",SDDSXDQHTMXWKW-SWGHGFEUSA-L
HMDB61581,893.541813541,C48H80NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)O1,"InChI=1S/C48H82NO12P/c1-7-9-22-28-43-38(5)39(6)45(61-43)30-23-18-14-12-10-11-13-15-21-26-32-47(51)59-40(34-57-62(54,55)58-35-41(49)48(52)53)33-56-46(50)31-25-20-17-16-19-24-29-44-37(4)36(3)42(60-44)27-8-2/h40-41H,7-35,49H2,1-6H3,(H,52,53)(H,54,55)/p-2/t40-,41?/m1/s1",WRDYQQIHAHUFPT,AXHXVYJZSA,L,"PS(DiMe(9,3)/DiMe(13,5))",WRDYQQIHAHUFPT-AXHXVYJZSA-L
HMDB61582,809.447913157,C42H68NO12P,CCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C42H70NO12P/c1-7-21-36-30(3)32(5)38(54-36)23-17-13-9-11-15-19-25-40(44)50-27-34(28-51-56(48,49)52-29-35(43)42(46)47)53-41(45)26-20-16-12-10-14-18-24-39-33(6)31(4)37(55-39)22-8-2/h34-35H,7-29,43H2,1-6H3,(H,46,47)(H,48,49)/p-2/t34-,35?/m1/s1",FZEZUFDCZTVFBF,IFDNYZKCSA,L,"PS(DiMe(9,3)/DiMe(9,3))",FZEZUFDCZTVFBF-IFDNYZKCSA-L
HMDB61583,837.479213285,C44H72NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)O1,"InChI=1S/C44H74NO12P/c1-7-9-18-24-39-34(5)35(6)41(57-39)26-20-15-11-13-17-22-28-43(47)55-36(30-53-58(50,51)54-31-37(45)44(48)49)29-52-42(46)27-21-16-12-10-14-19-25-40-33(4)32(3)38(56-40)23-8-2/h36-37H,7-31,45H2,1-6H3,(H,48,49)(H,50,51)/p-2/t36-,37?/m1/s1",OPKZMUSAQBWRQH,RKROREJRSA,L,"PS(DiMe(9,3)/DiMe(9,5))",OPKZMUSAQBWRQH-RKROREJRSA-L
HMDB61584,823.463563221,C43H70NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C43H72NO12P/c1-6-22-35-28-32(3)38(54-35)24-18-14-10-8-9-11-17-21-27-42(46)55-36(30-52-57(49,50)53-31-37(44)43(47)48)29-51-41(45)26-20-16-13-12-15-19-25-40-34(5)33(4)39(56-40)23-7-2/h28,36-37H,6-27,29-31,44H2,1-5H3,(H,47,48)(H,49,50)/p-2/t36-,37?/m1/s1",VAQMLCBSNHZPCQ,RKROREJRSA,L,"PS(DiMe(9,3)/MonoMe(11,3))",VAQMLCBSNHZPCQ-RKROREJRSA-L
HMDB61585,851.494863349,C45H74NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C45H76NO12P/c1-6-8-19-25-37-30-34(3)40(56-37)26-20-15-11-9-10-12-18-23-29-44(48)57-38(32-54-59(51,52)55-33-39(46)45(49)50)31-53-43(47)28-22-17-14-13-16-21-27-42-36(5)35(4)41(58-42)24-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)/p-2/t38-,39?/m1/s1",YEBFDCZDPQFGFJ,SWGHGFEUSA,L,"PS(DiMe(9,3)/MonoMe(11,5))",YEBFDCZDPQFGFJ-SWGHGFEUSA-L
HMDB61586,879.526163477,C47H78NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C47H80NO12P/c1-6-8-21-27-39-32-36(3)42(58-39)28-22-17-13-11-9-10-12-14-20-25-31-46(50)59-40(34-56-61(53,54)57-35-41(48)47(51)52)33-55-45(49)30-24-19-16-15-18-23-29-44-38(5)37(4)43(60-44)26-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)/p-2/t40-,41?/m1/s1",BBXFBMJISNEJQQ,AXHXVYJZSA,L,"PS(DiMe(9,3)/MonoMe(13,5))",BBXFBMJISNEJQQ-AXHXVYJZSA-L
HMDB61587,823.463563221,C43H70NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C43H72NO12P/c1-6-8-17-23-35-28-32(3)38(54-35)24-18-13-9-12-16-21-27-42(46)55-36(30-52-57(49,50)53-31-37(44)43(47)48)29-51-41(45)26-20-15-11-10-14-19-25-40-34(5)33(4)39(56-40)22-7-2/h28,36-37H,6-27,29-31,44H2,1-5H3,(H,47,48)(H,49,50)/p-2/t36-,37?/m1/s1",SHHZDPHXRABKOA,RKROREJRSA,L,"PS(DiMe(9,3)/MonoMe(9,5))",SHHZDPHXRABKOA-RKROREJRSA-L
HMDB61588,865.510513413,C46H76NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C46H78NO12P/c1-7-9-20-26-41-36(5)37(6)43(59-41)28-22-17-14-15-18-23-29-44(48)54-31-38(32-55-60(52,53)56-33-39(47)46(50)51)57-45(49)30-24-19-13-11-10-12-16-21-27-42-35(4)34(3)40(58-42)25-8-2/h38-39H,7-33,47H2,1-6H3,(H,50,51)(H,52,53)/p-2/t38-,39?/m1/s1",ZVMADSJBDFWPSG,SWGHGFEUSA,L,"PS(DiMe(9,5)/DiMe(11,3))",ZVMADSJBDFWPSG-SWGHGFEUSA-L
HMDB61589,893.541813541,C48H80NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)O1,"InChI=1S/C48H82NO12P/c1-7-9-21-27-42-36(3)38(5)44(60-42)29-23-17-13-11-12-14-20-26-32-47(51)59-40(34-57-62(54,55)58-35-41(49)48(52)53)33-56-46(50)31-25-19-16-15-18-24-30-45-39(6)37(4)43(61-45)28-22-10-8-2/h40-41H,7-35,49H2,1-6H3,(H,52,53)(H,54,55)/p-2/t40-,41?/m1/s1",ITPUFEDSTAQTLP,AXHXVYJZSA,L,"PS(DiMe(9,5)/DiMe(11,5))",ITPUFEDSTAQTLP-AXHXVYJZSA-L
HMDB61590,921.573113669,C50H84NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)O1,"InChI=1S/C50H86NO12P/c1-7-9-23-29-44-38(3)40(5)46(62-44)31-25-19-15-13-11-12-14-16-22-28-34-49(53)61-42(36-59-64(56,57)60-37-43(51)50(54)55)35-58-48(52)33-27-21-18-17-20-26-32-47-41(6)39(4)45(63-47)30-24-10-8-2/h42-43H,7-37,51H2,1-6H3,(H,54,55)(H,56,57)/p-2/t42-,43?/m1/s1",ROBSJMZZSXGTOF,YXOISFJGSA,L,"PS(DiMe(9,5)/DiMe(13,5))",ROBSJMZZSXGTOF-YXOISFJGSA-L
HMDB61591,837.479213285,C44H72NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,"InChI=1S/C44H74NO12P/c1-7-9-18-24-39-34(5)35(6)41(57-39)26-20-14-10-12-16-21-27-42(46)52-29-36(30-53-58(50,51)54-31-37(45)44(48)49)55-43(47)28-22-17-13-11-15-19-25-40-33(4)32(3)38(56-40)23-8-2/h36-37H,7-31,45H2,1-6H3,(H,48,49)(H,50,51)/p-2/t36-,37?/m1/s1",AVEBVDPJOUZBJB,RKROREJRSA,L,"PS(DiMe(9,5)/DiMe(9,3))",AVEBVDPJOUZBJB-RKROREJRSA-L
HMDB61592,865.510513413,C46H76NO12P,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,"InChI=1S/C46H78NO12P/c1-7-9-19-25-40-34(3)36(5)42(58-40)27-21-15-11-13-17-23-29-44(48)54-31-38(32-55-60(52,53)56-33-39(47)46(50)51)57-45(49)30-24-18-14-12-16-22-28-43-37(6)35(4)41(59-43)26-20-10-8-2/h38-39H,7-33,47H2,1-6H3,(H,50,51)(H,52,53)/p-2/t38-,39?/m1/s1",NJWJOTZOTWSOET,SWGHGFEUSA,L,"PS(DiMe(9,5)/DiMe(9,5))",NJWJOTZOTWSOET-SWGHGFEUSA-L
HMDB61593,851.494863349,C45H74NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C45H76NO12P/c1-6-8-19-26-41-35(4)36(5)42(58-41)27-21-16-13-14-17-22-28-43(47)53-31-38(32-54-59(51,52)55-33-39(46)45(49)50)57-44(48)29-23-18-12-10-9-11-15-20-25-40-34(3)30-37(56-40)24-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)/p-2/t38-,39?/m1/s1",XWSKYQAQMSJPSP,SWGHGFEUSA,L,"PS(DiMe(9,5)/MonoMe(11,3))",XWSKYQAQMSJPSP-SWGHGFEUSA-L
HMDB61594,879.526163477,C47H78NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C47H80NO12P/c1-6-8-20-26-39-32-36(3)42(58-39)27-22-16-12-10-11-13-19-25-31-46(50)59-40(34-56-61(53,54)57-35-41(48)47(51)52)33-55-45(49)30-24-18-15-14-17-23-29-44-38(5)37(4)43(60-44)28-21-9-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)/p-2/t40-,41?/m1/s1",GVTGEMGEJQCUNQ,AXHXVYJZSA,L,"PS(DiMe(9,5)/MonoMe(11,5))",GVTGEMGEJQCUNQ-AXHXVYJZSA-L
HMDB61595,907.557463605,C49H82NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C49H84NO12P/c1-6-8-22-28-41-34-38(3)44(60-41)29-24-18-14-12-10-11-13-15-21-27-33-48(52)61-42(36-58-63(55,56)59-37-43(50)49(53)54)35-57-47(51)32-26-20-17-16-19-25-31-46-40(5)39(4)45(62-46)30-23-9-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)/p-2/t42-,43?/m1/s1",BJHCOHQVBQMGMK,YXOISFJGSA,L,"PS(DiMe(9,5)/MonoMe(13,5))",BJHCOHQVBQMGMK-YXOISFJGSA-L
HMDB61596,851.494863349,C45H74NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C45H76NO12P/c1-6-8-18-24-37-30-34(3)40(56-37)25-20-14-10-13-17-23-29-44(48)57-38(32-54-59(51,52)55-33-39(46)45(49)50)31-53-43(47)28-22-16-12-11-15-21-27-42-36(5)35(4)41(58-42)26-19-9-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)/p-2/t38-,39?/m1/s1",PXJPWNNAIMLQOL,SWGHGFEUSA,L,"PS(DiMe(9,5)/MonoMe(9,5))",PXJPWNNAIMLQOL-SWGHGFEUSA-L
HMDB61597,851.494863349,C45H74NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C45H76NO12P/c1-6-24-37-30-34(3)40(56-37)26-20-16-12-8-10-14-18-22-28-43(47)53-31-38(32-54-59(51,52)55-33-39(46)45(49)50)57-44(48)29-23-19-15-11-9-13-17-21-27-42-36(5)35(4)41(58-42)25-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)/p-2/t38-,39?/m1/s1",PJDLHTRERNSMKP,SWGHGFEUSA,L,"PS(MonoMe(11,3)/DiMe(11,3))",PJDLHTRERNSMKP-SWGHGFEUSA-L
HMDB61598,879.526163477,C47H78NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C47H80NO12P/c1-6-8-21-28-43-37(4)38(5)44(60-43)29-23-18-14-10-12-16-20-25-31-46(50)59-40(34-56-61(53,54)57-35-41(48)47(51)52)33-55-45(49)30-24-19-15-11-9-13-17-22-27-42-36(3)32-39(58-42)26-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)/p-2/t40-,41?/m1/s1",JSRPRYWSKDVQLG,AXHXVYJZSA,L,"PS(MonoMe(11,3)/DiMe(11,5))",JSRPRYWSKDVQLG-AXHXVYJZSA-L
HMDB61599,907.557463605,C49H82NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C49H84NO12P/c1-6-8-23-30-45-39(4)40(5)46(62-45)31-25-20-16-11-9-10-12-18-22-27-33-48(52)61-42(36-58-63(55,56)59-37-43(50)49(53)54)35-57-47(51)32-26-21-17-14-13-15-19-24-29-44-38(3)34-41(60-44)28-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)/p-2/t42-,43?/m1/s1",KQRALKPWZWZBRP,YXOISFJGSA,L,"PS(MonoMe(11,3)/DiMe(13,5))",KQRALKPWZWZBRP-YXOISFJGSA-L
HMDB61600,823.463563221,C43H70NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C43H72NO12P/c1-6-22-35-28-32(3)38(54-35)24-18-14-10-8-9-11-16-20-26-41(45)51-29-36(30-52-57(49,50)53-31-37(44)43(47)48)55-42(46)27-21-17-13-12-15-19-25-40-34(5)33(4)39(56-40)23-7-2/h28,36-37H,6-27,29-31,44H2,1-5H3,(H,47,48)(H,49,50)/p-2/t36-,37?/m1/s1",NENRTZKVXHOEAT,RKROREJRSA,L,"PS(MonoMe(11,3)/DiMe(9,3))",NENRTZKVXHOEAT-RKROREJRSA-L
HMDB61601,851.494863349,C45H74NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C45H76NO12P/c1-6-8-19-26-41-35(4)36(5)42(58-41)27-21-16-13-14-18-23-29-44(48)57-38(32-54-59(51,52)55-33-39(46)45(49)50)31-53-43(47)28-22-17-12-10-9-11-15-20-25-40-34(3)30-37(56-40)24-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)/p-2/t38-,39?/m1/s1",SBXLOCULDQOSRX,SWGHGFEUSA,L,"PS(MonoMe(11,3)/DiMe(9,5))",SBXLOCULDQOSRX-SWGHGFEUSA-L
HMDB61602,837.479213285,C44H72NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCC)O2)=C1C,"InChI=1S/C44H74NO12P/c1-5-23-36-29-34(3)40(55-36)25-19-15-11-7-9-13-17-21-27-42(46)52-31-38(32-53-58(50,51)54-33-39(45)44(48)49)57-43(47)28-22-18-14-10-8-12-16-20-26-41-35(4)30-37(56-41)24-6-2/h29-30,38-39H,5-28,31-33,45H2,1-4H3,(H,48,49)(H,50,51)/p-2/t38-,39?/m1/s1",ACAVVJLZRNAWNK,SWGHGFEUSA,L,"PS(MonoMe(11,3)/MonoMe(11,3))",ACAVVJLZRNAWNK-SWGHGFEUSA-L
HMDB61603,865.510513413,C46H76NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C46H78NO12P/c1-5-7-20-26-39-32-37(4)43(58-39)28-22-17-13-9-11-15-19-24-30-45(49)59-40(34-55-60(52,53)56-35-41(47)46(50)51)33-54-44(48)29-23-18-14-10-8-12-16-21-27-42-36(3)31-38(57-42)25-6-2/h31-32,40-41H,5-30,33-35,47H2,1-4H3,(H,50,51)(H,52,53)/p-2/t40-,41?/m1/s1",WWIVDYKPOZVJAX,AXHXVYJZSA,L,"PS(MonoMe(11,3)/MonoMe(11,5))",WWIVDYKPOZVJAX-AXHXVYJZSA-L
HMDB61604,893.541813541,C48H80NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C48H82NO12P/c1-5-7-22-28-41-34-39(4)45(60-41)30-24-18-14-10-8-9-11-17-21-26-32-47(51)61-42(36-57-62(54,55)58-37-43(49)48(52)53)35-56-46(50)31-25-20-16-13-12-15-19-23-29-44-38(3)33-40(59-44)27-6-2/h33-34,42-43H,5-32,35-37,49H2,1-4H3,(H,52,53)(H,54,55)/p-2/t42-,43?/m1/s1",FUCIXBUFKPENQV,YXOISFJGSA,L,"PS(MonoMe(11,3)/MonoMe(13,5))",FUCIXBUFKPENQV-YXOISFJGSA-L
HMDB61605,837.479213285,C44H72NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C44H74NO12P/c1-5-7-18-24-37-30-35(4)41(56-37)26-20-15-12-13-17-22-28-43(47)57-38(32-53-58(50,51)54-33-39(45)44(48)49)31-52-42(46)27-21-16-11-9-8-10-14-19-25-40-34(3)29-36(55-40)23-6-2/h29-30,38-39H,5-28,31-33,45H2,1-4H3,(H,48,49)(H,50,51)/p-2/t38-,39?/m1/s1",PKNGWMMQKZUPHC,SWGHGFEUSA,L,"PS(MonoMe(11,3)/MonoMe(9,5))",PKNGWMMQKZUPHC-SWGHGFEUSA-L
HMDB61606,879.526163477,C47H78NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C47H80NO12P/c1-6-8-21-27-39-32-36(3)42(58-39)28-22-17-13-9-11-15-19-24-30-45(49)55-33-40(34-56-61(53,54)57-35-41(48)47(51)52)59-46(50)31-25-20-16-12-10-14-18-23-29-44-38(5)37(4)43(60-44)26-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)/p-2/t40-,41?/m1/s1",DXRNWWCZCQABKM,AXHXVYJZSA,L,"PS(MonoMe(11,5)/DiMe(11,3))",DXRNWWCZCQABKM-AXHXVYJZSA-L
HMDB61607,907.557463605,C49H82NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C49H84NO12P/c1-6-8-22-28-41-34-38(3)44(60-41)29-24-18-14-10-12-16-20-26-32-47(51)57-35-42(36-58-63(55,56)59-37-43(50)49(53)54)61-48(52)33-27-21-17-13-11-15-19-25-31-46-40(5)39(4)45(62-46)30-23-9-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)/p-2/t42-,43?/m1/s1",UXBYKHQSLDDZRJ,YXOISFJGSA,L,"PS(MonoMe(11,5)/DiMe(11,5))",UXBYKHQSLDDZRJ-YXOISFJGSA-L
HMDB61608,935.588763733,C51H86NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C51H88NO12P/c1-6-8-24-30-43-36-40(3)46(62-43)31-26-20-16-14-15-18-22-28-34-49(53)59-37-44(38-60-65(57,58)61-39-45(52)51(55)56)63-50(54)35-29-23-19-13-11-10-12-17-21-27-33-48-42(5)41(4)47(64-48)32-25-9-7-2/h36,44-45H,6-35,37-39,52H2,1-5H3,(H,55,56)(H,57,58)/p-2/t44-,45?/m1/s1",JJZSGJVKRDLBIW,XWQRBYOQSA,L,"PS(MonoMe(11,5)/DiMe(13,5))",JJZSGJVKRDLBIW-XWQRBYOQSA-L
HMDB61609,851.494863349,C45H74NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C45H76NO12P/c1-6-8-19-25-37-30-34(3)40(56-37)26-20-15-11-9-10-12-17-22-28-43(47)53-31-38(32-54-59(51,52)55-33-39(46)45(49)50)57-44(48)29-23-18-14-13-16-21-27-42-36(5)35(4)41(58-42)24-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)/p-2/t38-,39?/m1/s1",LJXLQDNAQMIKSK,SWGHGFEUSA,L,"PS(MonoMe(11,5)/DiMe(9,3))",LJXLQDNAQMIKSK-SWGHGFEUSA-L
HMDB61610,879.526163477,C47H78NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C47H80NO12P/c1-6-8-20-26-39-32-36(3)42(58-39)27-22-16-12-10-11-13-18-24-30-45(49)55-33-40(34-56-61(53,54)57-35-41(48)47(51)52)59-46(50)31-25-19-15-14-17-23-29-44-38(5)37(4)43(60-44)28-21-9-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)/p-2/t40-,41?/m1/s1",IPWBICZOTGTXRK,AXHXVYJZSA,L,"PS(MonoMe(11,5)/DiMe(9,5))",IPWBICZOTGTXRK-AXHXVYJZSA-L
HMDB61611,865.510513413,C46H76NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C46H78NO12P/c1-5-7-20-26-39-32-37(4)43(58-39)28-22-17-12-8-10-14-18-23-29-44(48)54-33-40(34-55-60(52,53)56-35-41(47)46(50)51)59-45(49)30-24-19-15-11-9-13-16-21-27-42-36(3)31-38(57-42)25-6-2/h31-32,40-41H,5-30,33-35,47H2,1-4H3,(H,50,51)(H,52,53)/p-2/t40-,41?/m1/s1",OZORWOLIVPAWKO,AXHXVYJZSA,L,"PS(MonoMe(11,5)/MonoMe(11,3))",OZORWOLIVPAWKO-AXHXVYJZSA-L
HMDB61612,893.541813541,C48H80NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C48H82NO12P/c1-5-7-21-27-40-33-38(3)44(59-40)29-23-17-13-9-11-15-19-25-31-46(50)56-35-42(36-57-62(54,55)58-37-43(49)48(52)53)61-47(51)32-26-20-16-12-10-14-18-24-30-45-39(4)34-41(60-45)28-22-8-6-2/h33-34,42-43H,5-32,35-37,49H2,1-4H3,(H,52,53)(H,54,55)/p-2/t42-,43?/m1/s1",HNVSBERRWDOXPI,YXOISFJGSA,L,"PS(MonoMe(11,5)/MonoMe(11,5))",HNVSBERRWDOXPI-YXOISFJGSA-L
HMDB61613,921.573113669,C50H84NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C50H86NO12P/c1-5-7-23-29-42-35-40(3)46(61-42)31-25-19-15-11-9-10-12-18-22-28-34-49(53)63-44(38-59-64(56,57)60-39-45(51)50(54)55)37-58-48(52)33-27-21-17-14-13-16-20-26-32-47-41(4)36-43(62-47)30-24-8-6-2/h35-36,44-45H,5-34,37-39,51H2,1-4H3,(H,54,55)(H,56,57)/p-2/t44-,45?/m1/s1",OXUOSYSGNWOKPR,XWQRBYOQSA,L,"PS(MonoMe(11,5)/MonoMe(13,5))",OXUOSYSGNWOKPR-XWQRBYOQSA-L
HMDB61614,865.510513413,C46H76NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C46H78NO12P/c1-5-7-19-25-38-31-36(3)42(57-38)27-21-15-11-9-10-12-17-23-29-44(48)54-33-40(34-55-60(52,53)56-35-41(47)46(50)51)59-45(49)30-24-18-14-13-16-22-28-43-37(4)32-39(58-43)26-20-8-6-2/h31-32,40-41H,5-30,33-35,47H2,1-4H3,(H,50,51)(H,52,53)/p-2/t40-,41?/m1/s1",NUAJTCUJHVIZOS,AXHXVYJZSA,L,"PS(MonoMe(11,5)/MonoMe(9,5))",NUAJTCUJHVIZOS-AXHXVYJZSA-L
HMDB61615,907.557463605,C49H82NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C49H84NO12P/c1-6-8-23-29-41-34-38(3)44(60-41)30-24-19-15-11-9-10-12-17-21-26-32-47(51)57-35-42(36-58-63(55,56)59-37-43(50)49(53)54)61-48(52)33-27-22-18-14-13-16-20-25-31-46-40(5)39(4)45(62-46)28-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)/p-2/t42-,43?/m1/s1",LKBZVRBGIVVNKG,YXOISFJGSA,L,"PS(MonoMe(13,5)/DiMe(11,3))",LKBZVRBGIVVNKG-YXOISFJGSA-L
HMDB61616,935.588763733,C51H86NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C51H88NO12P/c1-6-8-24-30-43-36-40(3)46(62-43)31-26-20-16-12-10-11-13-18-22-28-34-49(53)59-37-44(38-60-65(57,58)61-39-45(52)51(55)56)63-50(54)35-29-23-19-15-14-17-21-27-33-48-42(5)41(4)47(64-48)32-25-9-7-2/h36,44-45H,6-35,37-39,52H2,1-5H3,(H,55,56)(H,57,58)/p-2/t44-,45?/m1/s1",VNNNUCYQSMQCPD,XWQRBYOQSA,L,"PS(MonoMe(13,5)/DiMe(11,5))",VNNNUCYQSMQCPD-XWQRBYOQSA-L
HMDB61617,963.620063861,C53H90NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C53H92NO12P/c1-6-8-26-32-45-38-42(3)48(64-45)33-28-22-18-14-10-12-16-20-24-30-36-51(55)61-39-46(40-62-67(59,60)63-41-47(54)53(57)58)65-52(56)37-31-25-21-17-13-11-15-19-23-29-35-50-44(5)43(4)49(66-50)34-27-9-7-2/h38,46-47H,6-37,39-41,54H2,1-5H3,(H,57,58)(H,59,60)/p-2/t46-,47?/m1/s1",PAJGZNSJFANEJD,XBOAOLCQSA,L,"PS(MonoMe(13,5)/DiMe(13,5))",PAJGZNSJFANEJD-XBOAOLCQSA-L
HMDB61618,879.526163477,C47H78NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C47H80NO12P/c1-6-8-21-27-39-32-36(3)42(58-39)28-22-17-13-11-9-10-12-14-19-24-30-45(49)55-33-40(34-56-61(53,54)57-35-41(48)47(51)52)59-46(50)31-25-20-16-15-18-23-29-44-38(5)37(4)43(60-44)26-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)/p-2/t40-,41?/m1/s1",FXWHFQZMHZWMCW,AXHXVYJZSA,L,"PS(MonoMe(13,5)/DiMe(9,3))",FXWHFQZMHZWMCW-AXHXVYJZSA-L
HMDB61619,907.557463605,C49H82NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C49H84NO12P/c1-6-8-22-28-41-34-38(3)44(60-41)29-24-18-14-12-10-11-13-15-20-26-32-47(51)57-35-42(36-58-63(55,56)59-37-43(50)49(53)54)61-48(52)33-27-21-17-16-19-25-31-46-40(5)39(4)45(62-46)30-23-9-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)/p-2/t42-,43?/m1/s1",YCJIIJRQRSFPOD,YXOISFJGSA,L,"PS(MonoMe(13,5)/DiMe(9,5))",YCJIIJRQRSFPOD-YXOISFJGSA-L
HMDB61620,893.541813541,C48H80NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C48H82NO12P/c1-5-7-22-28-41-34-39(4)45(60-41)30-24-18-14-10-8-9-11-16-20-25-31-46(50)56-35-42(36-57-62(54,55)58-37-43(49)48(52)53)61-47(51)32-26-21-17-13-12-15-19-23-29-44-38(3)33-40(59-44)27-6-2/h33-34,42-43H,5-32,35-37,49H2,1-4H3,(H,52,53)(H,54,55)/p-2/t42-,43?/m1/s1",ZPUDZCINPJYECF,YXOISFJGSA,L,"PS(MonoMe(13,5)/MonoMe(11,3))",ZPUDZCINPJYECF-YXOISFJGSA-L
HMDB61621,921.573113669,C50H84NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C50H86NO12P/c1-5-7-23-29-42-35-40(3)46(61-42)31-25-19-15-11-9-10-12-17-21-27-33-48(52)58-37-44(38-59-64(56,57)60-39-45(51)50(54)55)63-49(53)34-28-22-18-14-13-16-20-26-32-47-41(4)36-43(62-47)30-24-8-6-2/h35-36,44-45H,5-34,37-39,51H2,1-4H3,(H,54,55)(H,56,57)/p-2/t44-,45?/m1/s1",PLZSIOCQCYCFQP,XWQRBYOQSA,L,"PS(MonoMe(13,5)/MonoMe(11,5))",PLZSIOCQCYCFQP-XWQRBYOQSA-L
HMDB61622,949.604413797,C52H88NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C52H90NO12P/c1-5-7-25-31-44-37-42(3)48(63-44)33-27-21-17-13-9-11-15-19-23-29-35-50(54)60-39-46(40-61-66(58,59)62-41-47(53)52(56)57)65-51(55)36-30-24-20-16-12-10-14-18-22-28-34-49-43(4)38-45(64-49)32-26-8-6-2/h37-38,46-47H,5-36,39-41,53H2,1-4H3,(H,56,57)(H,58,59)/p-2/t46-,47?/m1/s1",LUYJPEARXISGBN,XBOAOLCQSA,L,"PS(MonoMe(13,5)/MonoMe(13,5))",LUYJPEARXISGBN-XBOAOLCQSA-L
HMDB61623,893.541813541,C48H80NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C48H82NO12P/c1-5-7-21-27-40-33-38(3)44(59-40)29-23-17-13-11-9-10-12-14-19-25-31-46(50)56-35-42(36-57-62(54,55)58-37-43(49)48(52)53)61-47(51)32-26-20-16-15-18-24-30-45-39(4)34-41(60-45)28-22-8-6-2/h33-34,42-43H,5-32,35-37,49H2,1-4H3,(H,52,53)(H,54,55)/p-2/t42-,43?/m1/s1",IPANUAOKKSBPGG,YXOISFJGSA,L,"PS(MonoMe(13,5)/MonoMe(9,5))",IPANUAOKKSBPGG-YXOISFJGSA-L
HMDB61624,851.494863349,C45H74NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C45H76NO12P/c1-6-8-19-25-37-30-34(3)40(56-37)26-20-15-13-14-17-22-28-43(47)53-31-38(32-54-59(51,52)55-33-39(46)45(49)50)57-44(48)29-23-18-12-10-9-11-16-21-27-42-36(5)35(4)41(58-42)24-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)/p-2/t38-,39?/m1/s1",NLUWMKMMKZJFKJ,SWGHGFEUSA,L,"PS(MonoMe(9,5)/DiMe(11,3))",NLUWMKMMKZJFKJ-SWGHGFEUSA-L
HMDB61625,879.526163477,C47H78NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C47H80NO12P/c1-6-8-20-26-39-32-36(3)42(58-39)27-22-16-14-15-18-24-30-45(49)55-33-40(34-56-61(53,54)57-35-41(48)47(51)52)59-46(50)31-25-19-13-11-10-12-17-23-29-44-38(5)37(4)43(60-44)28-21-9-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)/p-2/t40-,41?/m1/s1",VPFVOSSANOAIKX,AXHXVYJZSA,L,"PS(MonoMe(9,5)/DiMe(11,5))",VPFVOSSANOAIKX-AXHXVYJZSA-L
HMDB61626,907.557463605,C49H82NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C49H84NO12P/c1-6-8-22-28-41-34-38(3)44(60-41)29-24-18-16-17-20-26-32-47(51)57-35-42(36-58-63(55,56)59-37-43(50)49(53)54)61-48(52)33-27-21-15-13-11-10-12-14-19-25-31-46-40(5)39(4)45(62-46)30-23-9-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)/p-2/t42-,43?/m1/s1",CZKDJAWRCYDSBX,YXOISFJGSA,L,"PS(MonoMe(9,5)/DiMe(13,5))",CZKDJAWRCYDSBX-YXOISFJGSA-L
HMDB61627,823.463563221,C43H70NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,"InChI=1S/C43H72NO12P/c1-6-8-17-23-35-28-32(3)38(54-35)24-18-13-9-11-15-20-26-41(45)51-29-36(30-52-57(49,50)53-31-37(44)43(47)48)55-42(46)27-21-16-12-10-14-19-25-40-34(5)33(4)39(56-40)22-7-2/h28,36-37H,6-27,29-31,44H2,1-5H3,(H,47,48)(H,49,50)/p-2/t36-,37?/m1/s1",DSHRWCQVVYAIAP,RKROREJRSA,L,"PS(MonoMe(9,5)/DiMe(9,3))",DSHRWCQVVYAIAP-RKROREJRSA-L
HMDB61628,851.494863349,C45H74NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,"InChI=1S/C45H76NO12P/c1-6-8-18-24-37-30-34(3)40(56-37)25-20-14-10-12-16-22-28-43(47)53-31-38(32-54-59(51,52)55-33-39(46)45(49)50)57-44(48)29-23-17-13-11-15-21-27-42-36(5)35(4)41(58-42)26-19-9-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)/p-2/t38-,39?/m1/s1",QCCLYGAQLFAECV,SWGHGFEUSA,L,"PS(MonoMe(9,5)/DiMe(9,5))",QCCLYGAQLFAECV-SWGHGFEUSA-L
HMDB61629,837.479213285,C44H72NO12P,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C44H74NO12P/c1-5-7-18-24-37-30-35(4)41(56-37)26-20-15-12-13-16-21-27-42(46)52-31-38(32-53-58(50,51)54-33-39(45)44(48)49)57-43(47)28-22-17-11-9-8-10-14-19-25-40-34(3)29-36(55-40)23-6-2/h29-30,38-39H,5-28,31-33,45H2,1-4H3,(H,48,49)(H,50,51)/p-2/t38-,39?/m1/s1",GHFAGZPKOLDUPL,SWGHGFEUSA,L,"PS(MonoMe(9,5)/MonoMe(11,3))",GHFAGZPKOLDUPL-SWGHGFEUSA-L
HMDB61630,865.510513413,C46H76NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C46H78NO12P/c1-5-7-19-25-38-31-36(3)42(57-38)27-21-15-11-9-10-12-18-24-30-45(49)59-40(34-55-60(52,53)56-35-41(47)46(50)51)33-54-44(48)29-23-17-14-13-16-22-28-43-37(4)32-39(58-43)26-20-8-6-2/h31-32,40-41H,5-30,33-35,47H2,1-4H3,(H,50,51)(H,52,53)/p-2/t40-,41?/m1/s1",LOQBLYDGCBIZDR,AXHXVYJZSA,L,"PS(MonoMe(9,5)/MonoMe(11,5))",LOQBLYDGCBIZDR-AXHXVYJZSA-L
HMDB61631,893.541813541,C48H80NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP([O-])(=O)OCC(N)C([O-])=O)=C1C,"InChI=1S/C48H82NO12P/c1-5-7-21-27-40-33-38(3)44(59-40)29-23-17-13-11-9-10-12-14-20-26-32-47(51)61-42(36-57-62(54,55)58-37-43(49)48(52)53)35-56-46(50)31-25-19-16-15-18-24-30-45-39(4)34-41(60-45)28-22-8-6-2/h33-34,42-43H,5-32,35-37,49H2,1-4H3,(H,52,53)(H,54,55)/p-2/t42-,43?/m1/s1",QIKDEZPDLMPUDC,YXOISFJGSA,L,"PS(MonoMe(9,5)/MonoMe(13,5))",QIKDEZPDLMPUDC-YXOISFJGSA-L
HMDB61632,837.479213285,C44H72NO12P,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,"InChI=1S/C44H74NO12P/c1-5-7-17-23-36-29-34(3)40(55-36)25-19-13-9-11-15-21-27-42(46)52-31-38(32-53-58(50,51)54-33-39(45)44(48)49)57-43(47)28-22-16-12-10-14-20-26-41-35(4)30-37(56-41)24-18-8-6-2/h29-30,38-39H,5-28,31-33,45H2,1-4H3,(H,48,49)(H,50,51)/p-2/t38-,39?/m1/s1",NIGPZAQQXVZMDS,SWGHGFEUSA,L,"PS(MonoMe(9,5)/MonoMe(9,5))",NIGPZAQQXVZMDS-SWGHGFEUSA-L
HMDB61633,289.188922979,C14H27NO5,CCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C14H27NO5/c1-5-6-7-11(16)8-14(19)20-12(9-13(17)18)10-15(2,3)4/h11-12,16H,5-10H2,1-4H3",YWSDGPGKVSDFES,UHFFFAOYSA,N,3-hydroxyhexanoyl carnitine,YWSDGPGKVSDFES-UHFFFAOYSA-N
HMDB61634,303.204573043,C15H29NO5,CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C15H29NO5/c1-5-6-7-8-12(17)9-15(20)21-13(10-14(18)19)11-16(2,3)4/h12-13,17H,5-11H2,1-4H3",LUBMSOHGUAAXAM,UHFFFAOYSA,N,3-hydroxyoctanoyl carnitine,LUBMSOHGUAAXAM-UHFFFAOYSA-N
HMDB61635,317.220223107,C16H31NO5,CCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C16H31NO5/c1-5-6-7-8-9-13(18)10-16(21)22-14(11-15(19)20)12-17(2,3)4/h13-14,18H,5-12H2,1-4H3",ZILZDFSDUXZZAT,UHFFFAOYSA,N,3-hydroxynonanoyl carnitine,ZILZDFSDUXZZAT-UHFFFAOYSA-N
HMDB61636,331.235873171,C17H33NO5,CCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C17H33NO5/c1-5-6-7-8-9-10-14(19)11-17(22)23-15(12-16(20)21)13-18(2,3)4/h14-15,19H,5-13H2,1-4H3",VCRSQDIROUELAR,UHFFFAOYSA,N,3-hydroxydecanoyl carnitine,VCRSQDIROUELAR-UHFFFAOYSA-N
HMDB61637,345.251523235,C18H35NO5,CCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C18H35NO5/c1-5-6-7-8-9-10-11-15(20)12-18(23)24-16(13-17(21)22)14-19(2,3)4/h15-16,20H,5-14H2,1-4H3",WJHMEFKQZOKPMH,UHFFFAOYSA,N,3-hydroxyundecanoyl carnitine,WJHMEFKQZOKPMH-UHFFFAOYSA-N
HMDB61638,359.267173299,C19H37NO5,CCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3",ULWDPUHFMOBGFJ,UHFFFAOYSA,N,3-hydroxydodecanoyl carnitine,ULWDPUHFMOBGFJ-UHFFFAOYSA-N
HMDB61639,373.282823363,C20H39NO5,CCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C20H39NO5/c1-5-6-7-8-9-10-11-12-13-17(22)14-20(25)26-18(15-19(23)24)16-21(2,3)4/h17-18,22H,5-16H2,1-4H3",DOFFCMLMRQLXPK,UHFFFAOYSA,N,3-hydroxytridecanoyl carnitine,DOFFCMLMRQLXPK-UHFFFAOYSA-N
HMDB61640,387.298473427,C21H41NO5,CCCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3",GFAZJTUXMHGTOC,UHFFFAOYSA,N,3-hydroxytetradecanoyl carnitine,GFAZJTUXMHGTOC-UHFFFAOYSA-N
HMDB61641,401.314123491,C22H43NO5,CCCCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C22H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-19(24)16-22(27)28-20(17-21(25)26)18-23(2,3)4/h19-20,24H,5-18H2,1-4H3",WJVDXGQFPKCLCW,UHFFFAOYSA,N,3-hydroxypentadecanoyl carnitine,WJVDXGQFPKCLCW-UHFFFAOYSA-N
HMDB61642,415.329773555,C23H45NO5,CCCCCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C23H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)17-23(28)29-21(18-22(26)27)19-24(2,3)4/h20-21,25H,5-19H2,1-4H3",XKAZIAFZAQAHHG,UHFFFAOYSA,N,3-hydroxyhexadecanoyl carnitine,XKAZIAFZAQAHHG-UHFFFAOYSA-N
HMDB61643,268.13107375,C14H20O5,[H]OC(=O)C1=C(OC(=C1C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)O[H],"InChI=1S/C14H20O5/c1-3-4-5-6-10-9(2)13(14(17)18)11(19-10)7-8-12(15)16/h3-8H2,1-2H3,(H,15,16)(H,17,18)",RIJDKRLRDVBUHJ,UHFFFAOYSA,N,3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid,RIJDKRLRDVBUHJ-UHFFFAOYSA-N
HMDB61644,294.219494826,C18H30O3,CCCC1=C(C)C(C)=C(CCCCCCCCC(O)=O)O1,"InChI=1S/C18H30O3/c1-4-11-16-14(2)15(3)17(21-16)12-9-7-5-6-8-10-13-18(19)20/h4-13H2,1-3H3,(H,19,20)",NMZGYZMOQZXEOU,UHFFFAOYSA,N,"3,4-Dimethyl-5-propyl-2-furannonanoic acid",NMZGYZMOQZXEOU-UHFFFAOYSA-N
HMDB61645,322.250794954,C20H34O3,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(O)=O)O1,"InChI=1S/C20H34O3/c1-4-5-10-13-18-16(2)17(3)19(23-18)14-11-8-6-7-9-12-15-20(21)22/h4-15H2,1-3H3,(H,21,22)",GGNZKBPHAMNUOU,UHFFFAOYSA,N,"3,4-Dimethyl-5-pentyl-2-furannonanoic acid",GGNZKBPHAMNUOU-UHFFFAOYSA-N
HMDB61646,308.23514489,C19H32O3,[H]C1=C(CCC)OC(CCCCCCCCCCC(O)=O)=C1C,"InChI=1S/C19H32O3/c1-3-12-17-15-16(2)18(22-17)13-10-8-6-4-5-7-9-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)",XZOBJEOEOJXQBF,UHFFFAOYSA,N,3-Methyl-5-propyl-2-furanundecanoic acid,XZOBJEOEOJXQBF-UHFFFAOYSA-N
HMDB61647,322.250794954,C20H34O3,CCCC1=C(C)C(C)=C(CCCCCCCCCCC(O)=O)O1,"InChI=1S/C20H34O3/c1-4-13-18-16(2)17(3)19(23-18)14-11-9-7-5-6-8-10-12-15-20(21)22/h4-15H2,1-3H3,(H,21,22)",HDHYFCAMRUJRJJ,UHFFFAOYSA,N,"3,​4-​Dimethyl-​5-​propyl-2-​furanundecanoic acid",HDHYFCAMRUJRJJ-UHFFFAOYSA-N
HMDB61648,364.297745146,C23H40O3,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(O)=O)=C1C,"InChI=1S/C23H40O3/c1-3-4-13-16-21-19-20(2)22(26-21)17-14-11-9-7-5-6-8-10-12-15-18-23(24)25/h19H,3-18H2,1-2H3,(H,24,25)",JXBLMIJDQFTVIE,UHFFFAOYSA,N,3-​Methyl-​5-​pentyl-2-​furantridecanoic acid,JXBLMIJDQFTVIE-UHFFFAOYSA-N
HMDB61649,378.31339521,C24H42O3,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(O)=O)O1,"InChI=1S/C24H42O3/c1-4-5-14-17-22-20(2)21(3)23(27-22)18-15-12-10-8-6-7-9-11-13-16-19-24(25)26/h4-19H2,1-3H3,(H,25,26)",RCISJPUCXSEESK,UHFFFAOYSA,N,"3,​4-​Dimethyl-​5-​pentyl-2-​furantridecanoic acid",RCISJPUCXSEESK-UHFFFAOYSA-N
HMDB61650,298.250794954,C18H34O3,CCCCCCCCC1OC1CCCCCCCC(O)=O,"InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)",IMYZYCNQZDBZBQ,UHFFFAOYSA,N,"9,10-epoxyoctadecanoic acid",IMYZYCNQZDBZBQ-UHFFFAOYSA-N
HMDB61651,314.282095082,C19H38O3,CC(C)CCCC(C)CCCC(C)CCC(O)C(C)C(O)=O,"InChI=1S/C19H38O3/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-18(20)17(5)19(21)22/h14-18,20H,6-13H2,1-5H3,(H,21,22)",QYCJOLFDFWRUFH,UHFFFAOYSA,N,3-hydroxypristanic acid,QYCJOLFDFWRUFH-UHFFFAOYSA-N
HMDB61652,132.07864425,C6H12O3,CCCC(O)CC(O)=O,"InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)",HPMGFDVTYHWBAG,UHFFFAOYSA,N,3-hydroxyhexanoic acid,HPMGFDVTYHWBAG-UHFFFAOYSA-N
HMDB61653,146.094294314,C7H14O3,CCCCC(O)CC(O)=O,"InChI=1S/C7H14O3/c1-2-3-4-6(8)5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)",OXSSIXNFGTZQMZ,UHFFFAOYSA,N,3-hydroxyheptanoic acid,OXSSIXNFGTZQMZ-UHFFFAOYSA-N
HMDB61654,202.15689457,C11H22O3,CCCCCCCCC(O)CC(O)=O,"InChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)",FARPMBPKLYEDIL,UHFFFAOYSA,N,3-hydroxyundecanoic acid,FARPMBPKLYEDIL-UHFFFAOYSA-N
HMDB61655,230.188194698,C13H26O3,CCCCCCCCCCC(O)CC(O)=O,"InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)",CWSNHZHHWHLJIM,UHFFFAOYSA,N,3-hydroxytridecanoic acid,CWSNHZHHWHLJIM-UHFFFAOYSA-N
HMDB61656,244.203844762,C14H28O3,CCCCCCCCCCCC(O)CC(O)=O,"InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)",ATRNZOYKSNPPBF,UHFFFAOYSA,N,3-hydroxytetradecanoic acid,ATRNZOYKSNPPBF-UHFFFAOYSA-N
HMDB61657,258.219494826,C15H30O3,CCCCCCCCCCCCC(O)CC(O)=O,"InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)",ATMSEJBABXCWDW,UHFFFAOYSA,N,3-hydroxypentadecanoic acid,ATMSEJBABXCWDW-UHFFFAOYSA-N
HMDB61658,272.23514489,C16H32O3,CCCCCCCCCCCCCC(O)CC(O)=O,"InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)",CBWALJHXHCJYTE,UHFFFAOYSA,N,3-hydroxyhexadecanoic acid,CBWALJHXHCJYTE-UHFFFAOYSA-N
HMDB61659,328.297745146,C20H40O3,CCCCCCCCCCCCCCCCCCC(O)C(O)=O,"InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h19,21H,2-18H2,1H3,(H,22,23)",CPLYLXYEVLGWFJ,UHFFFAOYSA,N,2(R)-hydroxyicosanoic acid,CPLYLXYEVLGWFJ-UHFFFAOYSA-N
HMDB61660,356.329045274,C22H44O3,CCCCCCCCCCCCCCCCCCCCC(O)C(O)=O,"InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h21,23H,2-20H2,1H3,(H,24,25)",RPGJJWLCCOPDAZ,UHFFFAOYSA,N,2(R)-hydroxydocosanoic acid,RPGJJWLCCOPDAZ-UHFFFAOYSA-N
HMDB61661,300.266445018,C18H36O3,CCCCCCCCCC(O)CCCCCCCC(O)=O,"InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)",RKHXDCVAPIMDMG,UHFFFAOYSA,N,9-hydroxyoctadecanoic acid,RKHXDCVAPIMDMG-UHFFFAOYSA-N
HMDB61662,300.266445018,C18H36O3,CCCCCC(O)CCCCCCCCCCCC(O)=O,"InChI=1S/C18H36O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)",MRWKWISFCDSNQN,UHFFFAOYSA,N,13-hydroxyoctadecanoic acid,MRWKWISFCDSNQN-UHFFFAOYSA-N
HMDB61663,286.250794954,C17H34O3,CCCCCC(O)CCCCCCCCCCC(O)=O,"InChI=1S/C17H34O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)",UGNYDWLENCPIBP,UHFFFAOYSA,N,12-hydroxyheptadecanoic acid,UGNYDWLENCPIBP-UHFFFAOYSA-N
HMDB61664,328.297745146,C20H40O3,CCCCCCCCC(O)CCCCCCCCCCC(O)=O,"InChI=1S/C20H40O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)",XNLLZTFHLRSAPS,UHFFFAOYSA,N,12-hydroxyicosanoic acid,XNLLZTFHLRSAPS-UHFFFAOYSA-N
HMDB61665,328.297745146,C20H40O3,CCCCCC(O)CCCCCCCCCCCCCC(O)=O,"InChI=1S/C20H40O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)",BLERHOKJGPAHCL,UHFFFAOYSA,N,15-hydroxyicosanoic acid,BLERHOKJGPAHCL-UHFFFAOYSA-N
HMDB61666,328.297745146,C20H40O3,CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(O)=O,"InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)",CGKMKXBKVBXUGK,UHFFFAOYSA,N,2-hydroxyphytanic acid,CGKMKXBKVBXUGK-UHFFFAOYSA-N
HMDB61667,690.595096362,C47H78O3,CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1,"InChI=1S/C47H78O3/c1-9-19-43-35(5)36(6)44(50-43)22-16-14-12-10-11-13-15-17-23-45(48)49-38-28-30-46(7)37(32-38)24-25-39-41-27-26-40(34(4)21-18-20-33(2)3)47(41,8)31-29-42(39)46/h24,33-34,38-42H,9-23,25-32H2,1-8H3",GWPOWQHYFOHQNJ,UHFFFAOYSA,N,"CE(DiMe(11,3))",GWPOWQHYFOHQNJ-UHFFFAOYSA-N
HMDB61668,718.62639649,C49H82O3,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1,"InChI=1S/C49H82O3/c1-9-10-17-23-45-37(5)38(6)46(52-45)24-18-15-13-11-12-14-16-19-25-47(50)51-40-30-32-48(7)39(34-40)26-27-41-43-29-28-42(36(4)22-20-21-35(2)3)49(43,8)33-31-44(41)48/h26,35-36,40-44H,9-25,27-34H2,1-8H3",GDFSBTHRBKRFTF,UHFFFAOYSA,N,"CE(DiMe(11,5))",GDFSBTHRBKRFTF-UHFFFAOYSA-N
HMDB61669,746.657696618,C51H86O3,CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1,"InChI=1S/C51H86O3/c1-9-10-19-25-47-39(5)40(6)48(54-47)26-20-17-15-13-11-12-14-16-18-21-27-49(52)53-42-32-34-50(7)41(36-42)28-29-43-45-31-30-44(38(4)24-22-23-37(2)3)51(45,8)35-33-46(43)50/h28,37-38,42-46H,9-27,29-36H2,1-8H3",ADQOGFYBAPVIFH,UHFFFAOYSA,N,"CE(DiMe(13,5))",ADQOGFYBAPVIFH-UHFFFAOYSA-N
HMDB61670,662.563796234,C45H74O3,CCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1,"InChI=1S/C45H74O3/c1-9-17-41-33(5)34(6)42(48-41)20-14-12-10-11-13-15-21-43(46)47-36-26-28-44(7)35(30-36)22-23-37-39-25-24-38(32(4)19-16-18-31(2)3)45(39,8)29-27-40(37)44/h22,31-32,36-40H,9-21,23-30H2,1-8H3",CAMLOFZLMGEUMA,UHFFFAOYSA,N,"CE(DiMe(9,3))",CAMLOFZLMGEUMA-UHFFFAOYSA-N
HMDB61671,690.595096362,C47H78O3,CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1,"InChI=1S/C47H78O3/c1-9-10-15-21-43-35(5)36(6)44(50-43)22-16-13-11-12-14-17-23-45(48)49-38-28-30-46(7)37(32-38)24-25-39-41-27-26-40(34(4)20-18-19-33(2)3)47(41,8)31-29-42(39)46/h24,33-34,38-42H,9-23,25-32H2,1-8H3",CFSYOBDRXRLAKM,UHFFFAOYSA,N,"CE(DiMe(9,5))",CFSYOBDRXRLAKM-UHFFFAOYSA-N
HMDB61672,676.579446298,C46H76O3,[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=C1C,"InChI=1S/C46H76O3/c1-8-18-37-31-35(5)43(48-37)21-15-13-11-9-10-12-14-16-22-44(47)49-38-27-29-45(6)36(32-38)23-24-39-41-26-25-40(34(4)20-17-19-33(2)3)46(41,7)30-28-42(39)45/h23,31,33-34,38-42H,8-22,24-30,32H2,1-7H3",ILXZNABMTSTDJE,UHFFFAOYSA,N,"CE(MonoMe(11,3))",ILXZNABMTSTDJE-UHFFFAOYSA-N
HMDB61673,704.610746426,C48H80O3,[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=C1C,"InChI=1S/C48H80O3/c1-8-9-16-22-39-33-37(5)45(50-39)23-17-14-12-10-11-13-15-18-24-46(49)51-40-29-31-47(6)38(34-40)25-26-41-43-28-27-42(36(4)21-19-20-35(2)3)48(43,7)32-30-44(41)47/h25,33,35-36,40-44H,8-24,26-32,34H2,1-7H3",AAZXFALIBYEKBE,UHFFFAOYSA,N,"CE(MonoMe(11,5))",AAZXFALIBYEKBE-UHFFFAOYSA-N
HMDB61674,732.642046554,C50H84O3,[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=C1C,"InChI=1S/C50H84O3/c1-8-9-18-24-41-35-39(5)47(52-41)25-19-16-14-12-10-11-13-15-17-20-26-48(51)53-42-31-33-49(6)40(36-42)27-28-43-45-30-29-44(38(4)23-21-22-37(2)3)50(45,7)34-32-46(43)49/h27,35,37-38,42-46H,8-26,28-34,36H2,1-7H3",UHOBLEHHPUMPEW,UHFFFAOYSA,N,"CE(MonoMe(13,5))",UHOBLEHHPUMPEW-UHFFFAOYSA-N
HMDB61675,676.579446298,C46H76O3,[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=C1C,"InChI=1S/C46H76O3/c1-8-9-14-20-37-31-35(5)43(48-37)21-15-12-10-11-13-16-22-44(47)49-38-27-29-45(6)36(32-38)23-24-39-41-26-25-40(34(4)19-17-18-33(2)3)46(41,7)30-28-42(39)45/h23,31,33-34,38-42H,8-22,24-30,32H2,1-7H3",XDRZCIXEBLTNKS,UHFFFAOYSA,N,"CE(MonoMe(9,5))",XDRZCIXEBLTNKS-UHFFFAOYSA-N
HMDB61676,160.073558872,C7H12O4,CC(C)(CCC(O)=O)C(O)=O,"InChI=1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)",BTUDGPVTCYNYLK,UHFFFAOYSA,N,"2,2-Dimethylglutaric acid",BTUDGPVTCYNYLK-UHFFFAOYSA-N
HMDB61677,289.152537473,C13H23NO6,C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCC(O)=O,"InChI=1S/C13H23NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H-,15,16,17,18)",BSVHAXJKBCWVDA,UHFFFAOYSA,N,O-Adipoylcarnitine,BSVHAXJKBCWVDA-UHFFFAOYSA-N
HMDB61678,159.089543287,C7H13NO3,COC(=O)C1CNC(CO)C1,"InChI=1S/C7H13NO3/c1-11-7(10)5-2-6(4-9)8-3-5/h5-6,8-9H,2-4H2,1H3",BSILTUUPJBINLI,UHFFFAOYSA,N,Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate,BSILTUUPJBINLI-UHFFFAOYSA-N
HMDB61679,183.089543287,C9H13NO3,OC(=O)CNC(=O)C1=CCCCC1,"InChI=1S/C9H13NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H,10,13)(H,11,12)",OSUSJBWSQBKORT,UHFFFAOYSA,N,"3,4,5,6-Tetrahydrohippuric acid",OSUSJBWSQBKORT-UHFFFAOYSA-N
HMDB61680,138.042927446,C6H6N2O2,NC1=C(C=CC=N1)C(O)=O,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)",KPIVDNYJNOPGBE,UHFFFAOYSA,N,2-Aminonicotinic acid,KPIVDNYJNOPGBE-UHFFFAOYSA-N
HMDB61681,190.084123558,C8H14O5,OCCOC(=O)CCCCC(O)=O,"InChI=1S/C8H14O5/c9-5-6-13-8(12)4-2-1-3-7(10)11/h9H,1-6H2,(H,10,11)",YXCHMHANQUUDOV,UHFFFAOYSA,N,6-(2-Hydroxyethoxy)-6-oxohexanoic acid,YXCHMHANQUUDOV-UHFFFAOYSA-N
HMDB61682,207.089543287,C11H13NO3,CC(=O)NC1=CC(C)=CC=C1OC(C)=O,"InChI=1S/C11H13NO3/c1-7-4-5-11(15-9(3)14)10(6-7)12-8(2)13/h4-6H,1-3H3,(H,12,13)",GPJFMEZBKSINFK,UHFFFAOYSA,N,2-Acetamido-4-methylphenyl acetate,GPJFMEZBKSINFK-UHFFFAOYSA-N
HMDB61683,210.064056818,C9H10N2O4,NC1=CC=C(O)C(=C1)C(=O)NCC(O)=O,"InChI=1S/C9H10N2O4/c10-5-1-2-7(12)6(3-5)9(15)11-4-8(13)14/h1-3,12H,4,10H2,(H,11,15)(H,13,14)",HZXFAYOGIGTEDC,UHFFFAOYSA,N,N-(5-Amino-2-hydroxybenzoyl)glycine,HZXFAYOGIGTEDC-UHFFFAOYSA-N
HMDB61684,173.105193351,C8H15NO3,CCC(C)C(NC(C)=O)C(O)=O,"InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)",JDTWZSUNGHMMJM,UHFFFAOYSA,N,N-Acetylisoleucine,JDTWZSUNGHMMJM-UHFFFAOYSA-N
HMDB61685,125.095297367,C6H11N3,CNCCC1=CN=CN1,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",PHSPJQZRQAJPPF,UHFFFAOYSA,N,N-Methylhistamine,PHSPJQZRQAJPPF-UHFFFAOYSA-N
HMDB61686,194.057908808,C10H10O4,COC(=O)\C=C\C1=CC(O)=CC=C1O,"InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+",BQCNSTFWSKOWMA,GORDUTHDSA,N,"2,5-Dihydroxycinnamic acid methyl ester",BQCNSTFWSKOWMA-GORDUTHDSA-N
HMDB61687,490.220282686,C26H34O9,CC(=O)OC1CCC2C3CCC4=C(C=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=C4)C3CCC12C,"InChI=1S/C26H34O9/c1-12(27)33-19-8-7-18-17-5-3-13-11-14(4-6-15(13)16(17)9-10-26(18,19)2)34-25-22(30)20(28)21(29)23(35-25)24(31)32/h4,6,11,16-23,25,28-30H,3,5,7-10H2,1-2H3,(H,31,32)",UJWWCALEXRYEBV,UHFFFAOYSA,N,Estradiol acetate glucuronide,UJWWCALEXRYEBV-UHFFFAOYSA-N
HMDB61688,492.23593275,C26H36O9,C\C(\C=C\C1=C(C)C(CCC1(C)C)OC1OC(C(O)C(O)C1O)C(O)=O)=C/C=C/C(/C)=C/C(O)=O,"InChI=1S/C26H36O9/c1-14(7-6-8-15(2)13-19(27)28)9-10-17-16(3)18(11-12-26(17,4)5)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,18,20-23,25,29-31H,11-12H2,1-5H3,(H,27,28)(H,32,33)/b8-6+,10-9+,14-7+,15-13+",LVCMXFSJTNPFHH,FRCNGJHJSA,N,4-Hydroxyretinoic acid glucuronide,LVCMXFSJTNPFHH-FRCNGJHJSA-N
HMDB61689,490.220282686,C26H34O9,C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(=O)OC1OC(C(O)C(O)C1O)C(O)=O,"InChI=1S/C26H34O9/c1-14(9-10-17-16(3)18(27)11-12-26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,20-23,25,29-31H,11-12H2,1-5H3,(H,32,33)/b8-6+,10-9+,14-7+,15-13+",SIKFAVWPHMSCBL,FRCNGJHJSA,N,4-Ketoretinoic acid glucuronide,SIKFAVWPHMSCBL-FRCNGJHJSA-N
HMDB61690,620.296163544,C29H49O12P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)39-20-22(30)21-40-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,15-16,22,24-30,32-36H,2-5,8,11,14,17-21H2,1H3,(H,37,38)/b7-6-,10-9-,13-12-,16-15-/t22-,24-,25-,26+,27-,28-,29-/m1/s1",LXUGKKVCSTYZFK,HYNUQJCBSA,N,1-Arachidonoylglycerophosphoinositol,LXUGKKVCSTYZFK-HYNUQJCBSA-N
HMDB61691,467.301189343,C22H46NO7P,CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCCN,"InChI=1S/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)/t21-/m1/s1",RVNBVQKDPQVSOY,OAQYLSRUSA,N,1-Heptadecanoylglycerophosphoethanolamine,RVNBVQKDPQVSOY-OAQYLSRUSA-N
HMDB61692,534.355964567,C27H53NO7P,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COP(O)(=O)OCC[N+](C)(C)C,"InChI=1S/C27H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28(2,3)4/h10-11,13-14,26,29H,5-9,12,15-25H2,1-4H3/p+1/b11-10-,14-13-",FKSLBYVOWOXWMB,XVTLYKPTSA,O,1-Linoleoylglycerophosphocholine,FKSLBYVOWOXWMB-XVTLYKPTSA-O
HMDB61693,598.311813608,C27H51O12P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C27H51O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h9-10,20,22-28,30-34H,2-8,11-19H2,1H3,(H,35,36)/b10-9-/t20-,22-,23-,24+,25-,26-,27-/m1/s1",UGDOFRYHDCDVHD,FRWBGTIISA,N,1-Oleoylglycerophosphoinositol,UGDOFRYHDCDVHD-FRWBGTIISA-N
HMDB61694,521.275368523,C24H44NO9P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC(N)C([O-])=O,"InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/p-2/b10-9-/t21-,22?/m1/s1",JZWNYZVVZXZRRH,NNHPDJCWSA,L,1-Oleoylglycerophosphoserine,JZWNYZVVZXZRRH-NNHPDJCWSA-L
HMDB61695,572.296163544,C25H49O12P,CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)/t18-,20-,21-,22+,23-,24-,25-/m1/s1",UOXRPRZMAROFPH,OAOCPRPWSA,N,1-Palmitoylglycerophosphoinositol,UOXRPRZMAROFPH-OAOCPRPWSA-N
HMDB61696,600.327463672,C27H53O12P,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/t20-,22-,23-,24+,25-,26-,27-/m1/s1",MXAFDFDAIFZFET,CZDOQZASSA,N,1-Stearoylglycerophosphoinositol,MXAFDFDAIFZFET-CZDOQZASSA-N
HMDB61697,512.311419678,C24H49O9P,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(O)CO,"InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30)",HFJVKBVEKQHVTO,UHFFFAOYSA,N,1-Stearoylglycerophosphoglycerol,HFJVKBVEKQHVTO-UHFFFAOYSA-N
HMDB61698,523.291018587,C24H46NO9P,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC(N)C([O-])=O,"InChI=1S/C24H48NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26H,2-20,25H2,1H3,(H,28,29)(H,30,31)/p-2/t21-,22?/m1/s1",ZPDQFUYPBVXUKS,ZMFCMNQTSA,L,1-Stearoylglycerophosphoserine,ZPDQFUYPBVXUKS-ZMFCMNQTSA-L
HMDB61699,544.340314503,C28H51NO7P,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)COP(O)(=O)OCC[N+](C)(C)C,"InChI=1S/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)36-27(25-30)26-35-37(32,33)34-24-23-29(2,3)4/h9-10,12-13,15-16,18-19,27,30H,5-8,11,14,17,20-26H2,1-4H3/p+1/b10-9-,13-12-,16-15-,19-18-",IGJKYDBBINVMLH,SNPVRQPZSA,O,2-Arachidonoylglycerophosphocholine,IGJKYDBBINVMLH-SNPVRQPZSA-O
HMDB61700,534.355964567,C27H53NO7P,CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CO)COP(O)(=O)OCC[N+](C)(C)C,"InChI=1S/C27H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28(2,3)4/h10-11,13-14,26,29H,5-9,12,15-25H2,1-4H3/p+1/b11-10-,14-13-",XFUBHUALKATHPX,XVTLYKPTSA,O,2-Linoleoylglycerophosphocholine,XFUBHUALKATHPX-XVTLYKPTSA-O
HMDB61701,522.355964567,C26H53NO7P,CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)COP(O)(=O)OCC[N+](C)(C)C,"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/p+1/b13-12-",SULIDBRAXVDKBU,SEYXRHQNSA,O,2-Oleoylglycerophosphocholine,SULIDBRAXVDKBU-SEYXRHQNSA-O
HMDB61702,496.340314503,C24H51NO7P,CCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCC[N+](C)(C)C,"InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)32-23(21-26)22-31-33(28,29)30-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1",NEGQHKSYEYVFTD,UHFFFAOYSA,O,2-Palmitoylglycerophosphocholine,NEGQHKSYEYVFTD-UHFFFAOYSA-O
HMDB61703,512.311419678,C24H49O9P,CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCC(O)CO,"InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)33-23(19-26)21-32-34(29,30)31-20-22(27)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30)",ZYKIFISVQNGKFE,UHFFFAOYSA,N,2-Stearoylglycerophosphoglycerol,ZYKIFISVQNGKFE-UHFFFAOYSA-N
HMDB61704,600.327463672,C27H53O12P,CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)38-20(18-28)19-37-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/t20-,22-,23-,24+,25-,26-,27-/m1/s1",AGVRWBBFKKEVAX,CZDOQZASSA,N,2-Stearoylglycerophosphoinositol,AGVRWBBFKKEVAX-CZDOQZASSA-N
HMDB61705,143.058243159,C6H9NO3,OC(=O)C1CCCC(O)=N1,"InChI=1S/C6H9NO3/c8-5-3-1-2-4(7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)",FZXCPFJMYOQZCA,UHFFFAOYSA,N,6-Oxopiperidine-2-carboxylic acid,FZXCPFJMYOQZCA-UHFFFAOYSA-N
HMDB61706,300.266445018,C18H36O3,CCCCCCC(O)CCCCCCCCCCC(O)=O,"InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)",ULQISTXYYBZJSJ,UHFFFAOYSA,N,12-Hydroxystearic acid,ULQISTXYYBZJSJ-UHFFFAOYSA-N
HMDB61707,242.224580204,C15H30O2,CC(C)CCCCCCCCCCCC(O)=O,"InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)",ZOCYQVNGROEVLU,UHFFFAOYSA,N,13-Methylmyristic acid,ZOCYQVNGROEVLU-UHFFFAOYSA-N
HMDB61708,296.23514489,C18H32O3,CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1",HNICUWMFWZBIFP,IRQZEAMPSA,N,13-HODE,HNICUWMFWZBIFP-IRQZEAMPSA-N
HMDB61709,269.2480553,C17H33O2,CC(C)CCCCCCCCCCCCCC([O-])=O,"InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/p-1",IIUXHTGBZYEGHI,UHFFFAOYSA,M,15-Methylpalmitate,IIUXHTGBZYEGHI-UHFFFAOYSA-M
HMDB61710,297.279355428,C19H37O2,CC(C)CCCCCCCCCCCCCCCC([O-])=O,"InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)/p-1",YETXGSGCWODRAA,UHFFFAOYSA,M,17-Methylstearate,YETXGSGCWODRAA-UHFFFAOYSA-M
HMDB61711,111.99254516,CH5O4P,COP(O)(O)=O,"InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)",CAAULPUQFIIOTL,UHFFFAOYSA,N,Methylphosphate,CAAULPUQFIIOTL-UHFFFAOYSA-N
HMDB61712,702.567574782,C39H79N2O6P,CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1",RWKUXQNLWDTSLO,GWQJGLRPSA,N,Palmitoyl sphingomyelin,RWKUXQNLWDTSLO-GWQJGLRPSA-N
HMDB61713,189.993593992,C6H6O5S,OC1=CC=CC=C1OS(O)(=O)=O,"InChI=1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10)",MZPWKJZDOCIALD,UHFFFAOYSA,N,Catechol sulfate,MZPWKJZDOCIALD-UHFFFAOYSA-N
HMDB61714,336.302830524,C22H40O2,CCCCCC=CCC=CCCCCCCCCCCCC(O)=O,"InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)",HVGRZDASOHMCSK,UHFFFAOYSA,N,Docosadienoate (22:2n6),HVGRZDASOHMCSK-UHFFFAOYSA-N
HMDB61715,161.068807845,C6H11NO4,[H]C([H])([H])OC(=O)CCC([NH3+])C([O-])=O,"InChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)",ZGEYCCHDTIDZAE,UHFFFAOYSA,N,"Glutamate, gamma-methyl ester",ZGEYCCHDTIDZAE-UHFFFAOYSA-N
HMDB61716,131.094628665,C6H13NO2,CN[C@@H](C(C)C)C(O)=O,"InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1",AKCRVYNORCOYQT,YFKPBYRVSA,N,N-methylvaline,AKCRVYNORCOYQT-YFKPBYRVSA-N
HMDB61717,261.121237345,C11H19NO6,C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCC(O)=O,"InChI=1S/C11H19NO6/c1-12(2,3)7-8(6-10(15)16)18-11(17)5-4-9(13)14/h8H,4-7H2,1-3H3,(H-,13,14,15,16)",HAEVNYBCYZZDFL,UHFFFAOYSA,N,Succinylcarnitine,HAEVNYBCYZZDFL-UHFFFAOYSA-N
HMDB61718,356.192234218,C21H28N2OS,CCC(=O)N(C1CCN(CCC2=CC=CS2)CC1C)C1=CC=CC=C1,"InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3",SRARDYUHGVMEQI,UHFFFAOYSA,N,3-Methylthiofentanyl,SRARDYUHGVMEQI-UHFFFAOYSA-N
HMDB61719,263.080240929,C14H17NS2,CC(C=C(C1=CC=CS1)C1=CC=CS1)N(C)C,"InChI=1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3",CANBGVXYBPOLRR,UHFFFAOYSA,N,Dimethylthiambutene,CANBGVXYBPOLRR-UHFFFAOYSA-N
HMDB61720,476.143963396,C23H28N2O5S2,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CS[C@@H](CN(CC(O)=O)C1=O)C1=CC=CS1,"InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1",FIQOFIRCTOWDOW,BJLQDIEVSA,N,Temocapril,FIQOFIRCTOWDOW-BJLQDIEVSA-N
HMDB61721,448.112663268,C21H24N2O5S2,OC(=O)CN1C[C@H](SC[C@H](N[C@@H](CCC2=CC=CC=C2)C(O)=O)C1=O)C1=CC=CS1,"InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1",KZVWEOXAPZXAFB,BQFCYCMXSA,N,Temocaprilat,KZVWEOXAPZXAFB-BQFCYCMXSA-N
HMDB61722,244.081637912,C9H16N4S2,CNC(=S)NCCSCC1=C(C)NC=N1,"InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)",FPBPLBWLMYGIQR,UHFFFAOYSA,N,Metiamide,FPBPLBWLMYGIQR-UHFFFAOYSA-N
HMDB61723,487.005915915,C11H16N5O11P3,NC1=NC2=C(N=CN2[C@@H]2C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)C(=O)N1,"InChI=1S/C11H16N5O11P3/c12-11-14-9-8(10(17)15-11)13-5-16(9)7-2-1-6(3-7)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-7H,3-4H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t6-,7+/m1/s1",CQCAEOCIDCCJDQ,RQJHMYQMSA,N,Carbovir Triphosphate,CQCAEOCIDCCJDQ-RQJHMYQMSA-N
HMDB61724,475.005915915,C10H16N5O11P3,NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O1,"InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1",OAKPWEUQDVLTCN,NKWVEPMBSA,N,Dideoxyadenosine Triphosphate,OAKPWEUQDVLTCN-NKWVEPMBSA-N
HMDB61725,366.159294606,C22H18N6,CC1=CC(\C=C\C#N)=CC(C)=C1NC1=NC(NC2=CC=C(C=C2)C#N)=NC=C1,"InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+",YIBOMRUWOWDFLG,ONEGZZNKSA,N,Rilpivirine,YIBOMRUWOWDFLG-ONEGZZNKSA-N
HMDB61726,450.994682527,C9H16N3O12P3,[H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC[C@@]([H])(O1)N1C=CC(=N)N=C1O,"InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1",ARLKCWCREKRROD,POYBYMJQSA,N,Dideoxycytidine 5'-Triphosphate,ARLKCWCREKRROD-POYBYMJQSA-N
HMDB61779,204.187800773,C15H24,C\C1=C\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1",NPNUFJAVOOONJE,FLFDDASRSA,N,Isocaryophyllene,NPNUFJAVOOONJE-FLFDDASRSA-N
HMDB61780,206.203450832,C15H26,CC1C(CC(CC1(C)C)C(C)=C)C(C)=C,"InChI=1S/C15H26/c1-10(2)13-8-14(11(3)4)12(5)15(6,7)9-13/h12-14H,1,3,8-9H2,2,4-7H3",JGZYEZBCFOHEEC,UHFFFAOYSA,N,"1,1,2-Trimethyl-3,5-bis(1-methylethenyl)cyclohexane",JGZYEZBCFOHEEC-UHFFFAOYSA-N
HMDB61781,228.20893014,C14H28O2,CCCC(C)CCCCCCCCC(O)=O,"InChI=1S/C14H28O2/c1-3-10-13(2)11-8-6-4-5-7-9-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)",OVRJJCKGCSPVGT,UHFFFAOYSA,N,10-Methyltridecanoic acid,OVRJJCKGCSPVGT-UHFFFAOYSA-N
HMDB61782,296.344301408,C21H44,CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3",FNAZRRHPUDJQCJ,UHFFFAOYSA,N,Heneicosane,FNAZRRHPUDJQCJ-UHFFFAOYSA-N
HMDB61783,98.109550448,C7H14,[H]\C(C)=C(\[H])CCCC,"InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+",OTTZHAVKAVGASB,HWKANZROSA,N,(E)-Hept-2-ene,OTTZHAVKAVGASB-HWKANZROSA-N
HMDB61784,122.109550448,C9H14,C=CCC1CCCC=C1,"InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h2,4,7,9H,1,3,5-6,8H2",RGURBRHZWFDJBM,UHFFFAOYSA,N,3-Allyl-1-cyclohexene,RGURBRHZWFDJBM-UHFFFAOYSA-N
HMDB61785,147.104799421,C10H13N,CC1(CNC1)C1=CC=CC=C1,"InChI=1S/C10H13N/c1-10(7-11-8-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3",YOLLUMURPUEOJW,UHFFFAOYSA,N,3-Methyl-3-phenylazetidine,YOLLUMURPUEOJW-UHFFFAOYSA-N
HMDB61786,163.099714043,C10H13NO,CCCN=C(O)C1=CC=CC=C1,"InChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)",DYZWXBMTHNHXML,UHFFFAOYSA,N,n-Propylbenzamide,DYZWXBMTHNHXML-UHFFFAOYSA-N
HMDB61787,134.109550448,C10H14,[H]\C(=C(\[H])C(C)=C)\C(\[H])=C(/C)C=C,"InChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-2H2,3-4H3/b7-6+,10-8+",HPZWSJQQCJZBBG,LQPGMRSMSA,N,"(3E,5E)-2,6-Dimethyl-1,3,5,7-octatetraene",HPZWSJQQCJZBBG-LQPGMRSMSA-N
HMDB61788,150.10446507,C10H14O,CC(=C)[C@@H]1CC=C(C)C(=O)C1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1",ULDHMXUKGWMISQ,SECBINFHSA,N,(S)-2-methyl-5-(1-Methylethenyl)-2-cyclohexen-1-one,ULDHMXUKGWMISQ-SECBINFHSA-N
HMDB61789,136.125200512,C10H16,CC=C(C)C=CC=C(C)C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3",GQVMHMFBVWSSPF,UHFFFAOYSA,N,"2,6-Dimethyl-2,4,6-octatriene",GQVMHMFBVWSSPF-UHFFFAOYSA-N
HMDB61790,136.125200515,C10H16,CC(C)=CC(C=C)C(C)=C,"InChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h6-7,10H,1,4H2,2-3,5H3",ZQGDEJAPCUGBRH,UHFFFAOYSA,N,Santolina triene,ZQGDEJAPCUGBRH-UHFFFAOYSA-N
HMDB61791,136.125200512,C10H16,CC1=CC2CCC1C2(C)C,"InChI=1S/C10H16/c1-7-6-8-4-5-9(7)10(8,2)3/h6,8-9H,4-5H2,1-3H3",QWEFTWKQGYFNTF,UHFFFAOYSA,N,"2,7,7-Trimethyl-bicyclo[2.2.1]hept-2-ene",QWEFTWKQGYFNTF-UHFFFAOYSA-N
HMDB61792,136.125200512,C10H16,CC1=CC(=C)CC(C)(C)C1,"InChI=1S/C10H16/c1-8-5-9(2)7-10(3,4)6-8/h5H,1,6-7H2,2-4H3",ZKXYHQFGFMZPPJ,UHFFFAOYSA,N,"3-Methylene-1,5,5-trimethylcyclohexene",ZKXYHQFGFMZPPJ-UHFFFAOYSA-N
HMDB61793,136.125200512,C10H16,[H][C@@]1(C)CC[C@]([H])(C=C1)C(C)=C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9-10H,1,5,7H2,2-3H3/t9-,10-/m0/s1",TWCNAXRPQBLSNO,UWVGGRQHSA,N,Isolimonene,TWCNAXRPQBLSNO-UWVGGRQHSA-N
HMDB61794,152.120115134,C10H16O,[H][C@@]1(C)CCC(=C(C)C)C(=O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1",NZGWDASTMWDZIW,MRVPVSSYSA,N,Pulegone,NZGWDASTMWDZIW-MRVPVSSYSA-N
HMDB61795,138.140850576,C10H18,[H][C@](C)(CCC=C(C)C)C=C,"InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3/t10-/m1/s1",FUDNBFMOXDUIIE,SNVBAGLBSA,N,"(S)-3,7-Dimethyl-1,6-octadiene",FUDNBFMOXDUIIE-SNVBAGLBSA-N
HMDB61796,138.14085058,C10H18,CC1CCC2C(C1)C2(C)C,"InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3",BWRHOYDPVJPXMF,UHFFFAOYSA,N,cis-Carane,BWRHOYDPVJPXMF-UHFFFAOYSA-N
HMDB61797,138.140850576,C10H18,[H][C@@]1(C)CC[C@@]([H])(C=C1)C(C)C,"InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8-10H,5,7H2,1-3H3/t9-,10+/m0/s1",WHNGPXQYYRWQAS,VHSXEESVSA,N,2-Menthene,WHNGPXQYYRWQAS-VHSXEESVSA-N
HMDB61798,138.140850576,C10H18,CC1CCC(C1)C=C(C)C,"InChI=1S/C10H18/c1-8(2)6-10-5-4-9(3)7-10/h6,9-10H,4-5,7H2,1-3H3",ZNVLSGKSXSJTNY,UHFFFAOYSA,N,1-Methyl-3-(2-methyl-1-propenyl)cyclopentane,ZNVLSGKSXSJTNY-UHFFFAOYSA-N
HMDB61799,138.140850576,C10H18,CC1CCC(CC(C)=C)C1,"InChI=1S/C10H18/c1-8(2)6-10-5-4-9(3)7-10/h9-10H,1,4-7H2,2-3H3",LRXVCZRWTBKTGT,UHFFFAOYSA,N,1-Methyl-3-(2-methyl-2-propenyl)-cyclopentane,LRXVCZRWTBKTGT-UHFFFAOYSA-N
HMDB61800,138.140850576,C10H18,CC(C)CCC1=CCCC1,"InChI=1S/C10H18/c1-9(2)7-8-10-5-3-4-6-10/h5,9H,3-4,6-8H2,1-2H3",LDBWEVZRYRUOOH,UHFFFAOYSA,N,1-(3-Methylbutyl)-cyclopentene,LDBWEVZRYRUOOH-UHFFFAOYSA-N
HMDB61801,138.140850576,C10H18,CC(C)CC1CCCC=C1,"InChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3",NVLNRIBMCIJLQD,UHFFFAOYSA,N,3-(2-Methylpropyl)-cyclohexene,NVLNRIBMCIJLQD-UHFFFAOYSA-N
HMDB61802,154.135765198,C10H18O,[H]C1(C)CC[C@]([H])(C(C)C)C(=O)C1,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8?,9-/m1/s1",NFLGAXVYCFJBMK,YGPZHTELSA,N,5-Methyl-2-(1-methylethyl)-cyclohexanone,NFLGAXVYCFJBMK-YGPZHTELSA-N
HMDB61803,140.15650064,C10H20,[H]\C(CC)=C(/[H])CCCCCC,"InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-",GVRWIAHBVAYKIZ,ALCCZGGFSA,N,cis-3-Decene,GVRWIAHBVAYKIZ-ALCCZGGFSA-N
HMDB61804,140.15650064,C10H20,[H][C@]1(C)CCC[C@]([H])(C1)C(C)C,"InChI=1S/C10H20/c1-8(2)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1",QRDCBPPMQOPHOU,VHSXEESVSA,N,m-Menthane,QRDCBPPMQOPHOU-VHSXEESVSA-N
HMDB61805,172.146329884,C10H20O2,[H][C@](CC)(CCCC)COC(C)=O,"InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3/t10-/m0/s1",WOYWLLHHWAMFCB,JTQLQIEISA,N,(2S)-2-Ethylhexyl acetate,WOYWLLHHWAMFCB-JTQLQIEISA-N
HMDB61806,142.172150704,C10H22,CCC(C)CC(C)(C)CC,"InChI=1S/C10H22/c1-6-9(3)8-10(4,5)7-2/h9H,6-8H2,1-5H3",VRVRZZWPKABUOE,UHFFFAOYSA,N,"3,3,5-Trimethylheptane",VRVRZZWPKABUOE-UHFFFAOYSA-N
HMDB61807,265.966812653,C10H9Cl3O2,CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl,"InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3",JKRWZLOCPLZZEI,UHFFFAOYSA,N,alpha-Trichloromethylbenzyl acetate,JKRWZLOCPLZZEI-UHFFFAOYSA-N
HMDB61808,146.109550448,C11H14,CC(C)=CCC1=CC=CC=C1,"InChI=1S/C11H14/c1-10(2)8-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3",XGADZHWYGCKKJF,UHFFFAOYSA,N,(3-Methyl-2-butenyl)-benzene,XGADZHWYGCKKJF-UHFFFAOYSA-N
HMDB61809,148.125200512,C11H16,CCC(C)C1=CC=C(C)C=C1,"InChI=1S/C11H16/c1-4-10(3)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3",LWCFXYMSEGQWNB,UHFFFAOYSA,N,1-Methyl-4-(1-methylpropyl)-benzene,LWCFXYMSEGQWNB-UHFFFAOYSA-N
HMDB61810,148.125200512,C11H16,CC(C)C1=C(C)C=C(C)C=C1,"InChI=1S/C11H16/c1-8(2)11-6-5-9(3)7-10(11)4/h5-8H,1-4H3",AADQFNAACHHRLT,UHFFFAOYSA,N,"2,4-Dimethyl-1-(1-methylethyl)-benzene",AADQFNAACHHRLT-UHFFFAOYSA-N
HMDB61811,150.140850576,C11H18,CC1CCC(=C(C)C)C(=C)C1,"InChI=1S/C11H18/c1-8(2)11-6-5-9(3)7-10(11)4/h9H,4-7H2,1-3H3",CDVJOIYHIIZJKX,UHFFFAOYSA,N,4-Methyl-2-methylene-1-(1methylethylidene)-cyclohexane,CDVJOIYHIIZJKX-UHFFFAOYSA-N
HMDB61812,154.172150704,C11H22,[H]\C(CCCC)=C(\[H])CCCCC,"InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h9,11H,3-8,10H2,1-2H3/b11-9+",NGCRXXLKJAAUQQ,PKNBQFBNSA,N,(E)-5-Undecene,NGCRXXLKJAAUQQ-PKNBQFBNSA-N
HMDB61813,160.125200512,C12H16,CC(C)C1=CC=C(C=C1)C(C)=C,"InChI=1S/C12H16/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8,10H,1H2,2-4H3",XMCNZCCURGYSDQ,UHFFFAOYSA,N,1-(1-Methylethenyl)-4-(1-methylethyl)benzene,XMCNZCCURGYSDQ-UHFFFAOYSA-N
HMDB61814,160.125200512,C12H16,CC(C)C1=CC=CC(=C1)C(C)=C,"InChI=1S/C12H16/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8,10H,1H2,2-4H3",BDXXZCIRCYKRBT,UHFFFAOYSA,N,1-(1-methylethenyl)-3-(1-methylethyl)-benzene,BDXXZCIRCYKRBT-UHFFFAOYSA-N
HMDB61815,162.140850576,C12H18,CCCCCCC1=CC=CC=C1,"InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3",LTEQMZWBSYACLV,UHFFFAOYSA,N,Hexylbenzene,LTEQMZWBSYACLV-UHFFFAOYSA-N
HMDB61816,196.146329884,C12H20O2,CC(C)=CCCC(C)=CCOC(C)=O,"InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3",HIGQPQRQIQDZMP,UHFFFAOYSA,N,"3,7-Dimethyl-2,6-octadien-1-ylacetate",HIGQPQRQIQDZMP-UHFFFAOYSA-N
HMDB61817,166.172150704,C12H22,CC(C1CCCC1)C1CCCC1,"InChI=1S/C12H22/c1-10(11-6-2-3-7-11)12-8-4-5-9-12/h10-12H,2-9H2,1H3",XWKIKXOZAGBKSO,UHFFFAOYSA,N,"1,1'-Ethylidenebis-cyclopentane",XWKIKXOZAGBKSO-UHFFFAOYSA-N
HMDB61818,166.172150704,C12H22,[H]\C(C)=C(\[H])/C(/[H])=C(/[H])CCCCCCC,"InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9H,4,6,8,10-12H2,1-2H3/b5-3+,9-7-",NJMCFBIRFRIKSQ,PKWCJPJFSA,N,"(E,Z)-2,4-Dodecadiene",NJMCFBIRFRIKSQ-PKWCJPJFSA-N
HMDB61819,168.187800768,C12H24,[H]\C(C)=C(\[H])CCCCCCCCC,"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+",ADOQBZAVKYCFOI,HWKANZROSA,N,(E)-2-Dodecene,ADOQBZAVKYCFOI-HWKANZROSA-N
HMDB61820,168.187800768,C12H24,[H]\C(CC)=C(/[H])CCCCCCCC,"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h5,7H,3-4,6,8-12H2,1-2H3/b7-5-",WLTSXAIICPDFKI,ALCCZGGFSA,N,(Z)-3-Dodecene,WLTSXAIICPDFKI-ALCCZGGFSA-N
HMDB61821,168.187800768,C12H24,[H]\C(CC)=C(\[H])CCCCCCCC,"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h5,7H,3-4,6,8-12H2,1-2H3/b7-5+",WLTSXAIICPDFKI,FNORWQNLSA,N,(E)-3-Dodecene,WLTSXAIICPDFKI-FNORWQNLSA-N
HMDB61822,282.167853186,C12H26O7,OCCOCCOCCOCCOCCOCCO,"InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2",IIRDTKBZINWQAW,UHFFFAOYSA,N,Hexaethylene glycol,IIRDTKBZINWQAW-UHFFFAOYSA-N
HMDB61823,220.109944378,C13H16O3,[H]\C(CC)=C(\[H])CCOC(=O)C1=CC=CC=C1O,"InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3+",IEPWIPZLLIOZLU,ONEGZZNKSA,N,3-Hexenyl salicylic acid,IEPWIPZLLIOZLU-ONEGZZNKSA-N
HMDB61824,174.140850576,C13H18,CC=CC1=C(C)C=CC(=C1)C(C)C,"InChI=1S/C13H18/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h5-10H,1-4H3",IRICXAFZMINCTB,UHFFFAOYSA,N,1-Methyl-4-(1-methyl-2-propenyl)-benzene,IRICXAFZMINCTB-UHFFFAOYSA-N
HMDB61825,176.15650064,C13H20,CCCCCCCC1=CC=CC=C1,"InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3",LBNXAWYDQUGHGX,UHFFFAOYSA,N,1-Phenylheptane,LBNXAWYDQUGHGX-UHFFFAOYSA-N
HMDB61826,176.15650064,C13H20,CCCCCCC1=CC=CC=C1C,"InChI=1S/C13H20/c1-3-4-5-6-10-13-11-8-7-9-12(13)2/h7-9,11H,3-6,10H2,1-2H3",BNXNQXKAEVKUJG,UHFFFAOYSA,N,1-Methyl-2-n-hexylbenzene,BNXNQXKAEVKUJG-UHFFFAOYSA-N
HMDB61827,182.203450832,C13H26,[H]\C(CCCCC)=C(/[H])CCCCCC,"InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h11,13H,3-10,12H2,1-2H3/b13-11-",QHOMPCGOCNNMFK,QBFSEMIESA,N,6-Tridecene,QHOMPCGOCNNMFK-QBFSEMIESA-N
HMDB61828,214.193280076,C13H26O2,CCCC(C)CCCCCCCC(O)=O,"InChI=1S/C13H26O2/c1-3-9-12(2)10-7-5-4-6-8-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)",NQWYEPPIHUGBHF,UHFFFAOYSA,N,9-Methyldodecanoic acid,NQWYEPPIHUGBHF-UHFFFAOYSA-N
HMDB61829,214.193280076,C13H26O2,CCCCCCCCCC(=O)OC(C)C,"InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-13(14)15-12(2)3/h12H,4-11H2,1-3H3",PKPPDYGHKDIKBH,UHFFFAOYSA,N,Isopropyl dodecanoic acid,PKPPDYGHKDIKBH-UHFFFAOYSA-N
HMDB61830,202.135765198,C14H18O,[H]\C(=C(/CCCCC)C=O)C1=CC=CC=C1,"InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-",HMKKIXGYKWDQSV,KAMYIIQDSA,N,Pentyl cinnamaldehyde,HMKKIXGYKWDQSV-KAMYIIQDSA-N
HMDB61831,206.167065326,C14H22O,[H]\C(=C(/[H])[C@]1([H])C(C)=CCC([H])(C)C1(C)C)C(C)=O,"InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8-/t11?,13-/m1/s1",JZQOJFLIJNRDHK,HWELFCKPSA,N,(Z)-alpha-Irone,JZQOJFLIJNRDHK-HWELFCKPSA-N
HMDB61832,192.187800768,C14H24,CC1CC(CC(C1C)C(C)=C)C(C)=C,"InChI=1S/C14H24/c1-9(2)13-7-11(5)12(6)14(8-13)10(3)4/h11-14H,1,3,7-8H2,2,4-6H3",PLHCNOGRIXPXHK,UHFFFAOYSA,N,1-Acetyl-2-methylcyclopentene,PLHCNOGRIXPXHK-UHFFFAOYSA-N
HMDB61833,196.219100896,C14H28,[H]\C(CCCCCC)=C(\[H])CCCCCC,"InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3/b14-13+",UBDIXSAEHLOROW,BUHFOSPRSA,N,(E)-7-Tetradecene,UBDIXSAEHLOROW-BUHFOSPRSA-N
HMDB61834,196.219100896,C14H28,CCCCCCCCCCCCC=C,"InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3",HFDVRLIODXPAHB,UHFFFAOYSA,N,1-Tetradecene,HFDVRLIODXPAHB-UHFFFAOYSA-N
HMDB61835,326.194067936,C14H30O8,OCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2",XPJRQAIZZQMSCM,UHFFFAOYSA,N,Heptaethylene glycol,XPJRQAIZZQMSCM-UHFFFAOYSA-N
HMDB61836,228.115029756,C15H16O2,C(OCC1=CC=CC=C1)OCC1=CC=CC=C1,"InChI=1S/C15H16O2/c1-3-7-14(8-4-1)11-16-13-17-12-15-9-5-2-6-10-15/h1-10H,11-13H2",JCTHGPXQXLMSDK,UHFFFAOYSA,N,bis(Benzyloxy)methane,JCTHGPXQXLMSDK-UHFFFAOYSA-N
HMDB61837,202.172150704,C15H22,[H][C@@]1(C)CC[C@]([H])(C(C)C)C2=C1C=CC(C)=C2,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m1/s1",PGTJIOWQJWHTJJ,CHWSQXEVSA,N,Calamenene,PGTJIOWQJWHTJJ-CHWSQXEVSA-N
HMDB61838,202.172150704,C15H22,[H][C@@](C)(CCC=C(C)C)C1=CC=C(C)C=C1,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1",VMYXUZSZMNBRCN,CQSZACIVSA,N,(-)-alpha-Curcumene,VMYXUZSZMNBRCN-CQSZACIVSA-N
HMDB61839,250.15689457,C15H22O3,CCCCC(CC)COC(=O)C1=CC=CC=C1O,"InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3",FMRHJJZUHUTGKE,UHFFFAOYSA,N,Ethylhexyl salicylate,FMRHJJZUHUTGKE-UHFFFAOYSA-N
HMDB61840,204.187800768,C15H24,CC1(C)CC2C1CC1C(=C)CCCC21C,"InChI=1S/C15H24/c1-10-6-5-7-15(4)11(10)8-12-13(15)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3",NRJSJVYGFMVJAR,UHFFFAOYSA,N,beta-Clovene,NRJSJVYGFMVJAR-UHFFFAOYSA-N
HMDB61841,204.187800768,C15H24,[H][C@]1(C)CC[C@]([H])(C(C)C)C2=CC(=C)CCC12[H],"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13+,14?/m0/s1",RNDFUOKDULDZPR,WLDKUNSKSA,N,"trans-Muurola-4(14),5-diene",RNDFUOKDULDZPR-WLDKUNSKSA-N
HMDB61842,204.187800773,C15H24,[H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1",NPNUFJAVOOONJE,GFUGXAQUSA,N,(−)-beta-Caryophyllene,NPNUFJAVOOONJE-GFUGXAQUSA-N
HMDB61843,204.187800768,C15H24,[H]\C1=C(C)\C2CC(C)(C)C2C\C([H])=C(C)/CC1,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8-,12-7-",ULWLVRZSZQKPOE,HONFXZPPSA,N,"1R,3Z,9S-2,6,10,10 Tetramethylbicyclo[7.2.0]undeca-2,6-diene",ULWLVRZSZQKPOE-HONFXZPPSA-N
HMDB61845,204.187800768,C15H24,[H]\C1=C(C)\CCCC(=C)C2CC(C)(C)C2C1,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h8,13-14H,2,5-7,9-10H2,1,3-4H3/b11-8-",NSMRKFBAPAOVQL,FLIBITNWSA,N,Humulen-(v1),NSMRKFBAPAOVQL-FLIBITNWSA-N
HMDB61846,204.187800768,C15H24,CC1(C)CC2C1CCC1=CCCC2(C)C1,"InChI=1S/C15H24/c1-14(2)10-13-12(14)7-6-11-5-4-8-15(13,3)9-11/h5,12-13H,4,6-10H2,1-3H3",LRDGPLGHXZSQGB,UHFFFAOYSA,N,"1S,2S,5R-1,4,4 Trimethyltricyclo[6.3.1.0(2,5)]dodec-8(9)- ene",LRDGPLGHXZSQGB-UHFFFAOYSA-N
HMDB61847,192.187800768,C14H24,CC1CC(CC(C1C)C(C)=C)C(C)=C,"InChI=1S/C14H24/c1-9(2)13-7-11(5)12(6)14(8-13)10(3)4/h11-14H,1,3,7-8H2,2,4-6H3",PLHCNOGRIXPXHK,UHFFFAOYSA,N,"1,2-Dimethyl-3,5-bis(1-methylethenyl)cyclohexane",PLHCNOGRIXPXHK-UHFFFAOYSA-N
HMDB61848,204.187800768,C15H24,CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1",OPFTUNCRGUEPRZ,QLFBSQMISA,N,beta-Elemene,OPFTUNCRGUEPRZ-QLFBSQMISA-N
HMDB61849,204.187800768,C15H24,[H][C@@]12CCC(C)=C3CC[C@@]([H])(C)[C@@]3([H])[C@]1([H])C2(C)C,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3/t10-,12-,13-,14-/m1/s1",WGTRJVCFDUCKCM,FMKGYKFTSA,N,(+)-Ledene,WGTRJVCFDUCKCM-FMKGYKFTSA-N
HMDB61850,204.187800768,C15H24,CC(C)C1CCC2(C)C3CC=C(C)C3C12,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h5,9,11-14H,6-8H2,1-4H3",FAIMMSRDTUMTQR,UHFFFAOYSA,N,alpha-Bourbonene,FAIMMSRDTUMTQR-UHFFFAOYSA-N
HMDB61851,204.187800773,C15H24,[H][C@@]12C3C(C)=CC[C@]1([H])[C@]3(C)CC[C@H]2C(C)C,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14?,15-/m0/s1",VLXDPFLIRFYIME,XIQJJJERSA,N,alpha-Copaene,VLXDPFLIRFYIME-XIQJJJERSA-N
HMDB61852,204.187800768,C15H24,[H]C12CC=C(C)C3([H])C1([H])[C@]([H])(CC[C@]23C)C(C)C,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13?,14?,15-/m1/s1",VLXDPFLIRFYIME,XTLGRWLVSA,N,Ylangene,VLXDPFLIRFYIME-XTLGRWLVSA-N
HMDB61853,204.187800768,C15H24,CC(C)[C@@H]1CC[C@@H](C)[C@@]23CCC(=C)[C@@H]2[C@@H]13,"InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1",FSRZGYRCMPZNJF,KHMAMNHCSA,N,beta-Cubebene,FSRZGYRCMPZNJF-KHMAMNHCSA-N
HMDB61854,299.061613977,C16H13NO3S,OS(=O)(=O)C1=C2C(NC3=CC=CC=C3)=CC=CC2=CC=C1,"InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)",FWEOQOXTVHGIFQ,UHFFFAOYSA,N,8-Anilino-1-naphthalene sulfonate,FWEOQOXTVHGIFQ-UHFFFAOYSA-N
HMDB61855,226.266051088,C16H34,CCCCCCCCCCCC(C)CCC,"InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-15-16(3)14-5-2/h16H,4-15H2,1-3H3",ODDVOCXSLXTIIU,UHFFFAOYSA,N,4-Methylpentadecane,ODDVOCXSLXTIIU-UHFFFAOYSA-N
HMDB61856,242.26096571,C16H34O,CCCCCCCCOCCCCCCCC,"InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",NKJOXAZJBOMXID,UHFFFAOYSA,N,"1,1'-Oxybisoctane",NKJOXAZJBOMXID-UHFFFAOYSA-N
HMDB61857,232.219100896,C17H28,CCCCCC(CCCCC)C1=CC=CC=C1,"InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3",WCABIRIFXVXGQH,UHFFFAOYSA,N,6-Phenylundecane,WCABIRIFXVXGQH-UHFFFAOYSA-N
HMDB61858,268.240230268,C17H32O2,[H]\C(CCCCCCCC)=C(/[H])CCCCCC(=O)OC,"InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h10-11H,3-9,12-16H2,1-2H3/b11-10-",FXCDESKKWMGGON,KHPPLWFESA,N,"7-Hexadecenoic acid, methyl ester",FXCDESKKWMGGON-KHPPLWFESA-N
HMDB61859,270.255880332,C17H34O2,CCCCCCCCCCCCCCCC(=O)OC,"InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3",FLIACVVOZYBSBS,UHFFFAOYSA,N,Methyl hexadecanoic acid,FLIACVVOZYBSBS-UHFFFAOYSA-N
HMDB61860,258.198365454,C18H26O,CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C,"InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3",DNRJTBAOUJJKDY,UHFFFAOYSA,N,"2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene",DNRJTBAOUJJKDY-UHFFFAOYSA-N
HMDB61861,290.188194698,C18H26O3,[H]\C(=C(\[H])C1=CC=C(OC)C=C1)C(=O)OCC(CC)CCCC,"InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+",YBGZDTIWKVFICR,JLHYYAGUSA,N,Octyl 4-methoxycinnamic acid,YBGZDTIWKVFICR-JLHYYAGUSA-N
HMDB61862,282.292265838,C19H38O,CCCCCCCCCCCCCCCCCC(C)=O,"InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3",IEDKVDCIEARIIU,UHFFFAOYSA,N,2-Nonadecanone,IEDKVDCIEARIIU-UHFFFAOYSA-N
HMDB61863,268.31300128,C19H40,CCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2/h19H,4-18H2,1-3H3",PGZRTPKNSFMAOP,UHFFFAOYSA,N,3-Methyloctadecane,PGZRTPKNSFMAOP-UHFFFAOYSA-N
HMDB61864,308.271530396,C20H36O2,[H]\C(CCCCCCCCCCCCCCC)=C(\[H])/C(/[H])=C(\[H])C(O)=O,"InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h16-19H,2-15H2,1H3,(H,21,22)/b17-16+,19-18+",LNAVIIOBBICBIS,NBRVCOCJSA,N,Dihomo-linoleate (20:2n6),LNAVIIOBBICBIS-NBRVCOCJSA-N
HMDB61865,310.359951472,C22H46,CCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",HOWGUJZVBDQJKV,UHFFFAOYSA,N,Docosane,HOWGUJZVBDQJKV-UHFFFAOYSA-N
HMDB61866,324.375601536,C23H48,CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3",FIGVVZUWCLSUEI,UHFFFAOYSA,N,Tricosane,FIGVVZUWCLSUEI-UHFFFAOYSA-N
HMDB61867,366.422551728,C26H54,CCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",HMSWAIKSFDFLKN,UHFFFAOYSA,N,Hexacosane,HMSWAIKSFDFLKN-UHFFFAOYSA-N
HMDB61868,394.453851856,C28H58,CCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",ZYURHZPYMFLWSH,UHFFFAOYSA,N,Octacosane,ZYURHZPYMFLWSH-UHFFFAOYSA-N
HMDB61869,41.026549101,C2H3N,CC#N,InChI=1S/C2H3N/c1-2-3/h1H3,WEVYAHXRMPXWCK,UHFFFAOYSA,N,Acetonitrile,WEVYAHXRMPXWCK-UHFFFAOYSA-N
HMDB61870,55.042199165,C3H5N,C=CN=C,"InChI=1S/C3H5N/c1-3-4-2/h3H,1-2H2",TUVFMMNANXKTRP,UHFFFAOYSA,N,N-Methylene-ethenamine,TUVFMMNANXKTRP-UHFFFAOYSA-N
HMDB61871,90.05032101,C4H10S,CCCSC,"InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3",ZOASGOXWEHUTKZ,UHFFFAOYSA,N,1-(Methylthio)-propane,ZOASGOXWEHUTKZ-UHFFFAOYSA-N
HMDB61872,99.014269855,C4H5NS,S=C=NC1CC1,"InChI=1S/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2",JGFBQFKZKSSODQ,UHFFFAOYSA,N,Isothiocyanatocyclopropane,JGFBQFKZKSSODQ-UHFFFAOYSA-N
HMDB61873,70.041864814,C4H6O,CC(=O)C=C,"InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3",FUSUHKVFWTUUBE,UHFFFAOYSA,N,3-Buten-2-one,FUSUHKVFWTUUBE-UHFFFAOYSA-N
HMDB61874,70.041864814,C4H6O,CC(=C)C=O,"InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3",STNJBCKSHOAVAJ,UHFFFAOYSA,N,Methacrolein,STNJBCKSHOAVAJ-UHFFFAOYSA-N
HMDB61875,84.068748266,C4H8N2,CN(C)CC#N,"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3",PLXBWEPPAAQASG,UHFFFAOYSA,N,2-(Dimethylamino)acetonitrile,PLXBWEPPAAQASG-UHFFFAOYSA-N
HMDB61876,88.034670946,C4H8S,[H]\C(C)=C(/[H])SC,"InChI=1S/C4H8S/c1-3-4-5-2/h3-4H,1-2H3/b4-3-",YJOGCMRDEUBRJD,ARJAWSKDSA,N,(Z)-1-(Methylthio)-1-propene,YJOGCMRDEUBRJD-ARJAWSKDSA-N
HMDB61877,119.058243159,C4H9NO3,NCC(O)CC(O)=O,"InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)",YQGDEPYYFWUPGO,UHFFFAOYSA,N,4-Amino-3-hydroxybutyrate,YQGDEPYYFWUPGO-UHFFFAOYSA-N
HMDB61878,66.046950192,C5H6,C1C=CC=C1,"InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2",ZSWFCLXCOIISFI,UHFFFAOYSA,N,Cyclopentadiene,ZSWFCLXCOIISFI-UHFFFAOYSA-N
HMDB61879,132.042258744,C5H8O4,COC(=O)CCC(O)=O,"InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)",JDRMYOQETPMYQX,UHFFFAOYSA,N,(S)-Methylbutanethioic acid,JDRMYOQETPMYQX-UHFFFAOYSA-N
HMDB61880,131.058243159,C5H9NO3,CC(O)=NCCC(O)=O,"InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)",LJLLAWRMBZNPMO,UHFFFAOYSA,N,N-Acetyl-beta-alanine,LJLLAWRMBZNPMO-UHFFFAOYSA-N
HMDB61881,130.062994186,C6H10O3,CC(=O)CCCC(O)=O,"InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)",MGTZCLMLSSAXLD,UHFFFAOYSA,N,4-Acetylbutyrate,MGTZCLMLSSAXLD-UHFFFAOYSA-N
HMDB61882,100.088815006,C6H12O,CCC(C)(O)C=C,"InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3",HFYAEUXHCMTPOL,UHFFFAOYSA,N,3-Methyl-1-penten-3-ol,HFYAEUXHCMTPOL-UHFFFAOYSA-N
HMDB61883,115.075904596,C6H11O2,CCCCCC([O-])=O,"InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1",FUZZWVXGSFPDMH,UHFFFAOYSA,M,Caproate (6:0),FUZZWVXGSFPDMH-UHFFFAOYSA-M
HMDB61884,86.109550448,C6H14,CCCC(C)C,"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3",AFABGHUZZDYHJO,UHFFFAOYSA,N,2-Methylpentane,AFABGHUZZDYHJO-UHFFFAOYSA-N
HMDB61885,86.109550448,C6H14,CCC(C)CC,"InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3",PFEOZHBOMNWTJB,UHFFFAOYSA,N,3-Methylpentane,PFEOZHBOMNWTJB-UHFFFAOYSA-N
HMDB61886,102.10446507,C6H14O,CCCCC(C)O,"InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3",QNVRIHYSUZMSGM,UHFFFAOYSA,N,2-Hexanol,QNVRIHYSUZMSGM-UHFFFAOYSA-N
HMDB61887,93.057849229,C6H7N,CC1=CC=CN=C1,"InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3",ITQTTZVARXURQS,UHFFFAOYSA,N,3-Methylpyridine,ITQTTZVARXURQS-UHFFFAOYSA-N
HMDB61888,93.057849229,C6H7N,CC1=NC=CC=C1,"InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",BSKHPKMHTQYZBB,UHFFFAOYSA,N,2-Methylpyridine,BSKHPKMHTQYZBB-UHFFFAOYSA-N
HMDB61889,94.07825032,C7H10,[H]\C(C)=C(\[H])/C(/[H])=C(\[H])C=C,"InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-7H,1H2,2H3/b6-4+,7-5+",USKZHEQYENVSMH,YDFGWWAZSA,N,"(3E,5Z)-1,3,5-Heptatriene",USKZHEQYENVSMH-YDFGWWAZSA-N
HMDB61890,186.064056818,C7H10N2O4,NC(C(O)=O)C(=O)C1CCC(O)=N1,"InChI=1S/C7H10N2O4/c8-5(7(12)13)6(11)3-1-2-4(10)9-3/h3,5H,1-2,8H2,(H,9,10)(H,12,13)",MGEFGYONNZYSPY,UHFFFAOYSA,N,Pyroglutamylglycine,MGEFGYONNZYSPY-UHFFFAOYSA-N
HMDB61891,110.073164942,C7H10O,CC\C=C/C=C/C=O,"InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3-,6-5+",SATICYYAWWYRAM,DNVGVPOPSA,N,"(E,Z)-2,4-Heptadienal",SATICYYAWWYRAM-DNVGVPOPSA-N
HMDB61892,98.109550448,C7H14,[H]\C(C)=C(/[H])CCCC,"InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3-",OTTZHAVKAVGASB,HYXAFXHYSA,N,2-Heptene,OTTZHAVKAVGASB-HYXAFXHYSA-N
HMDB61893,98.109550448,C7H14,[H]\C(CC)=C(\[H])CCC,"InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+",WZHKDGJSXCTSCK,FNORWQNLSA,N,(E)-Hept-3-ene,WZHKDGJSXCTSCK-FNORWQNLSA-N
HMDB61894,98.109550448,C7H14,[H]\C(C)=C(\[H])C(C)(C)C,"InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5+",BIDIHFPLDRSAMB,AATRIKPKSA,N,"(E)-4,4-Dimethyl-2-pentene",BIDIHFPLDRSAMB-AATRIKPKSA-N
HMDB61895,98.109550448,C7H14,CC(C)C=C(C)C,"InChI=1S/C7H14/c1-6(2)5-7(3)4/h5-6H,1-4H3",VVCFYASOGFVJFN,UHFFFAOYSA,N,"2,4-Dimethyl-2-pentene",VVCFYASOGFVJFN-UHFFFAOYSA-N
HMDB61896,114.10446507,C7H14O,CCCC(=O)C(C)C,"InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3",HIGGFWFRAWSMBR,UHFFFAOYSA,N,2-Methyl-3-hexanone,HIGGFWFRAWSMBR-UHFFFAOYSA-N
HMDB61897,108.093900384,C8H12,[H]\C1=C(\[H])/C(/[H])=C([H])\CCCC1,"InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2+",RRKODOZNUZCUBN,HSFFGMMNSA,N,"(Z)-1,3-Octadiene",RRKODOZNUZCUBN-HSFFGMMNSA-N
HMDB61898,124.088815006,C8H12O,CC(=O)C1=C(C)CCC1,"InChI=1S/C8H12O/c1-6-4-3-5-8(6)7(2)9/h3-5H2,1-2H3",HDURLXYBKGWETC,UHFFFAOYSA,N,Methyl-1-cyclopenten-1-yl)-ethanone,HDURLXYBKGWETC-UHFFFAOYSA-N
HMDB61899,110.109550448,C8H14,[H][C@]1(CC)C[C@@]1([H])C1CC1,"InChI=1S/C8H14/c1-2-6-5-8(6)7-3-4-7/h6-8H,2-5H2,1H3/t6-,8+/m0/s1",VDKZAQZRSGYRSL,POYBYMJQSA,N,2-(Methylenebutyl)-cyclopropane,VDKZAQZRSGYRSL-POYBYMJQSA-N
HMDB61900,110.109550448,C8H14,[H]\C(C)=C(\[H])/C(/[H])=C(\[H])CCC,"InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7-8H,4,6H2,1-2H3/b5-3+,8-7+",NZLCAHVLJPDRBL,VSAQMIDASA,N,"2,4-Octadiene",NZLCAHVLJPDRBL-VSAQMIDASA-N
HMDB61901,110.109550448,C8H14,CC(C=C)C=C(C)C,"InChI=1S/C8H14/c1-5-8(4)6-7(2)3/h5-6,8H,1H2,2-4H3",NRWBPJIUSMMBPU,UHFFFAOYSA,N,"Dimethylhexa-1,4-diene",NRWBPJIUSMMBPU-UHFFFAOYSA-N
HMDB61902,110.109550448,C8H14,CC(C)=CC=C(C)C,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3",DZPCYXCBXGQBRN,UHFFFAOYSA,N,"2,5-Dimethyl-2,4-hexadiene",DZPCYXCBXGQBRN-UHFFFAOYSA-N
HMDB61903,112.125200512,C8H16,[H]\C(C)=C(/[H])CCCCC,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3-",ILPBINAXDRFYPL,HYXAFXHYSA,N,(Z)-2-Octene,ILPBINAXDRFYPL-HYXAFXHYSA-N
HMDB61904,112.125200512,C8H16,CCCCCC=CC,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3",ILPBINAXDRFYPL,UHFFFAOYSA,N,(E)-2-Octene,ILPBINAXDRFYPL-UHFFFAOYSA-N
HMDB61905,112.125200512,C8H16,[H]\C(CC)=C(/[H])CCCC,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5-",YCTDZYMMFQCTEO,ALCCZGGFSA,N,(Z)-3-Octene,YCTDZYMMFQCTEO-ALCCZGGFSA-N
HMDB61906,112.125200512,C8H16,[H]\C(CC)=C(\[H])CCCC,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+",YCTDZYMMFQCTEO,FNORWQNLSA,N,(E)-3-Octene,YCTDZYMMFQCTEO-FNORWQNLSA-N
HMDB61907,112.125200512,C8H16,CCCCC(=C)CC,"InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3",XTVRLCUJHGUXCP,UHFFFAOYSA,N,3-Methyleneheptane,XTVRLCUJHGUXCP-UHFFFAOYSA-N
HMDB61908,112.125200512,C8H16,CCCCC(C)C=C,"InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3",QDMFTFWKTYXBIW,UHFFFAOYSA,N,3-Methyl-1-heptene,QDMFTFWKTYXBIW-UHFFFAOYSA-N
HMDB61909,112.125200512,C8H16,[H]\C(CCC)=C(\C)CC,"InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h7H,4-6H2,1-3H3/b8-7+",AAUHUDBDDBJONC,BQYQJAHWSA,N,3-Methyl-3-heptene,AAUHUDBDDBJONC-BQYQJAHWSA-N
HMDB61910,112.125200512,C8H16,[H]\C(C)=C(\[H])C(C)CCC,"InChI=1S/C8H16/c1-4-6-8(3)7-5-2/h4,6,8H,5,7H2,1-3H3/b6-4+",SVGLFIBXFVQUQY,GQCTYLIASA,N,(E)-4-Methyl-2-heptene,SVGLFIBXFVQUQY-GQCTYLIASA-N
HMDB61911,112.125200512,C8H16,[H]\C(CC)=C(\C)CCC,"InChI=1S/C8H16/c1-4-6-8(3)7-5-2/h6H,4-5,7H2,1-3H3/b8-6+",KKVVJQGDNYIIMN,SOFGYWHQSA,N,4-Methyl-3-heptene,KKVVJQGDNYIIMN-SOFGYWHQSA-N
HMDB61912,128.120115134,C8H16O,CC1CCC(O)CC1C,"InChI=1S/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3",ZBAXJUPCYVIBSP,UHFFFAOYSA,N,"3,4-Dimethylcyclohexanol",ZBAXJUPCYVIBSP-UHFFFAOYSA-N
HMDB61913,128.120115134,C8H16O,CC1CC(C)CC(O)C1,"InChI=1S/C8H16O/c1-6-3-7(2)5-8(9)4-6/h6-9H,3-5H2,1-2H3",WIYNOPYNRFPWNB,UHFFFAOYSA,N,"3,5-Dimethylcyclohexanol",WIYNOPYNRFPWNB-UHFFFAOYSA-N
HMDB61914,159.102667926,C8H15O3,OCCCCCCCC([O-])=O,"InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11)/p-1",KDMSVYIHKLZKET,UHFFFAOYSA,M,8-Hydroxyoctanoate,KDMSVYIHKLZKET-UHFFFAOYSA-M
HMDB61915,114.140850576,C8H18,CCCCCC(C)C,"InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3",JVSWJIKNEAIKJW,UHFFFAOYSA,N,2-Methylheptane,JVSWJIKNEAIKJW-UHFFFAOYSA-N
HMDB61916,134.036779436,C8H6O2,O=CC(=O)C1=CC=CC=C1,InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H,OJUGVDODNPJEEC,UHFFFAOYSA,N,Phenylglyoxal,OJUGVDODNPJEEC-UHFFFAOYSA-N
HMDB61917,164.012055776,C8H4O4,[O-]C(=O)C1=CC=C(C=C1)C([O-])=O,"InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2",KKEYFWRCBNTPAC,UHFFFAOYSA,L,Terephthalate,KKEYFWRCBNTPAC-UHFFFAOYSA-L
HMDB61918,133.052763851,C8H7NO,OC1=NC2=CC=CC=C2C1,"InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)",JYGFTBXVXVMTGB,UHFFFAOYSA,N,"1,3-Dihydro-(2H)-indol-2-one",JYGFTBXVXVMTGB-UHFFFAOYSA-N
HMDB61919,151.063328537,C8H9NO2,CC(O)=NC1=CC=CC=C1O,"InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)",ADVGKWPZRIDURE,UHFFFAOYSA,N,2'-Hydroxyacetanilide,ADVGKWPZRIDURE-UHFFFAOYSA-N
HMDB61920,124.125200512,C9H16,C=CCC1CCCCC1,"InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2",KVOZXXSUSRZIKD,UHFFFAOYSA,N,Prop-2-enylcyclohexane,KVOZXXSUSRZIKD-UHFFFAOYSA-N
HMDB61921,92.903634644,Nb,[Nb+5],InChI=1S/Nb/q+5,QUWPZPLTANKXAM,UHFFFAOYSA,N,Niobium,QUWPZPLTANKXAM-UHFFFAOYSA-N
HMDB61922,180.063388116,C6H12O6,OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m0/s1",WQZGKKKJIJFFOK,GKFJPSPNSA,N,Alpha-D-Glucopyranoside,WQZGKKKJIJFFOK-GKFJPSPNSA-N
HMDB61923,190.172150704,C14H22,CC(C)(C)C1=CC(=CC=C1)C(C)(C)C,"InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3",ILNDSSCEZZFNGE,UHFFFAOYSA,N,"1,3-Di-tert-butylbenzene",ILNDSSCEZZFNGE-UHFFFAOYSA-N
HMDB61924,198.23475096,C14H30,CCC(C)CCC(C)CC(C)C(C)C,"InChI=1S/C14H30/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h11-14H,7-10H2,1-6H3",XTIADNINQBIUNR,UHFFFAOYSA,N,"2,3,5,8-Tetramethyldecane",XTIADNINQBIUNR-UHFFFAOYSA-N
HMDB61925,300.20893014,C20H28O2,[H]C12CCC3=C(C=CC(=C3)C(C)C)[C@@]1(C)CCC[C@@]2(C)C(O)=O,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19-,20-/m1/s1",NFWKVWVWBFBAOV,IPNZSQQUSA,N,Dehydroabietic acid,NFWKVWVWBFBAOV-IPNZSQQUSA-N
HMDB61926,393.339550381,C28H43N,CCCCCCCCC1=CC=C(NC2=CC=C(CCCCCCCC)C=C2)C=C1,"InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3",QAPVYZRWKDXNDK,UHFFFAOYSA,N,"P,P-Dioctyldiphenylamine",QAPVYZRWKDXNDK-UHFFFAOYSA-N
HMDB61927,118.062994186,C5H10O3,OCCCCC(O)=O,"InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)",PHOJOSOUIAQEDH,UHFFFAOYSA,N,5-Hydroxypentanoic acid,PHOJOSOUIAQEDH-UHFFFAOYSA-N
HMDB61928,140.044899461,C5H7F3O,CC(C)C(=O)C(F)(F)F,"InChI=1S/C5H7F3O/c1-3(2)4(9)5(6,7)8/h3H,1-2H3",NLCCAFQWEKMQLM,UHFFFAOYSA,N,Trifluoromethyl-bismethyl ketone,NLCCAFQWEKMQLM-UHFFFAOYSA-N
HMDB61929,114.068079564,C6H10O2,CC1(C)COC(=O)C1,"InChI=1S/C6H10O2/c1-6(2)3-5(7)8-4-6/h3-4H2,1-2H3",LZAKUZBAAQDJCF,UHFFFAOYSA,N,"Dihydro-4,4-dimethyl-2(3H)-furanone",LZAKUZBAAQDJCF-UHFFFAOYSA-N
HMDB61930,146.057908808,C6H10O4,CCOC(=O)CCC(O)=O,"InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)",LOLKAJARZKDJTD,UHFFFAOYSA,N,4-Ethoxy-4-oxobutanoic acid,LOLKAJARZKDJTD-UHFFFAOYSA-N
HMDB61931,144.115029756,C8H16O2,CC1CCC(C)(CO)OC1,"InChI=1S/C8H16O2/c1-7-3-4-8(2,6-9)10-5-7/h7,9H,3-6H2,1-2H3",BJQJGDGEKXRYBA,UHFFFAOYSA,N,"Tetrahydro-2,5-dimethyl-2H-pyranmethanol",BJQJGDGEKXRYBA-UHFFFAOYSA-N
HMDB61932,171.107940704,C8H17NOSi,C[Si](C)(C)N1CCCCC1=O,"InChI=1S/C8H17NOSi/c1-11(2,3)9-7-5-4-6-8(9)10/h4-7H2,1-3H3",PMQNJTKTWDVUNY,UHFFFAOYSA,N,"Valero-1,5-lactam",PMQNJTKTWDVUNY-UHFFFAOYSA-N
HMDB61933,147.032028409,C8H5NO2,O=C1NC2=CC=CC=C2C1=O,"InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)",JXDYKVIHCLTXOP,UHFFFAOYSA,N,"1H-Indole-2,3-dione",JXDYKVIHCLTXOP-UHFFFAOYSA-N
HMDB61934,92.970690481,CH3NS2,SC(S)=N,"InChI=1S/CH3NS2/c2-1(3)4/h(H3,2,3,4)",DKVNPHBNOWQYFE,UHFFFAOYSA,N,Thiocarbamic acid,DKVNPHBNOWQYFE-UHFFFAOYSA-N
HMDB61935,264.172544634,C16H24O3,COC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H3",UPVYFJALDJUSOV,UHFFFAOYSA,N,"3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester",UPVYFJALDJUSOV-UHFFFAOYSA-N
HMDB61936,174.161979948,C10H22O2,CCC(C)(O)CCC(C)(O)CC,"InChI=1S/C10H22O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-8H2,1-4H3",WMEDSSFYIKNTNG,UHFFFAOYSA,N,Isooctanedioldibutyrate,WMEDSSFYIKNTNG-UHFFFAOYSA-N
HMDB61938,136.125200512,C10H16,CC1CCC(C=C1)=C(C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3",CIPXOBMYVWRNLL,UHFFFAOYSA,N,Isoterpinolene,CIPXOBMYVWRNLL-UHFFFAOYSA-N
HMDB61939,179.043855423,C6H13NOS2,CCN(CC)C(=S)S(C)=O,"InChI=1S/C6H13NOS2/c1-4-7(5-2)6(9)10(3)8/h4-5H2,1-3H3",VQRMNXBTDRJEKI,UHFFFAOYSA,N,"Methyl-N,N-diethylthiocarbamate",VQRMNXBTDRJEKI-UHFFFAOYSA-N
HMDB61942,220.109944378,C13H16O3,CC\C=C/CCOC(=O)C1=CC=CC=C1O,"InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3-",IEPWIPZLLIOZLU,ARJAWSKDSA,N,cis-3-Hexenyl salicylate,IEPWIPZLLIOZLU-ARJAWSKDSA-N
HMDB61943,222.125594442,C13H18O3,CCCCCCOC(=O)C1=CC=CC=C1O,"InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3",DUKPKQFHJQGTGU,UHFFFAOYSA,N,Hexyl salicylic acid,DUKPKQFHJQGTGU-UHFFFAOYSA-N
HMDB61944,106.062994186,C4H10O3,CCCC(O)(O)O,"InChI=1S/C4H10O3/c1-2-3-4(5,6)7/h5-7H,2-3H2,1H3",GTTSNKDQDACYLV,UHFFFAOYSA,N,Trihydroxybutane,GTTSNKDQDACYLV-UHFFFAOYSA-N
HMDB61945,126.10446507,C8H14O,CCC\C=C(/CC)C=O,"InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+",PYLMCYQHBRSDND,SOFGYWHQSA,N,2-Ethyl-2-hexenal,PYLMCYQHBRSDND-SOFGYWHQSA-N
HMDB61946,284.271530396,C18H36O2,CCCCCCCCCCCC(=O)OCCCCCC,"InChI=1S/C18H36O2/c1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h3-17H2,1-2H3",CMBYOWLFQAFZCP,UHFFFAOYSA,N,Hexyl dodecanoate,CMBYOWLFQAFZCP-UHFFFAOYSA-N
HMDB62170,180.063388116,C6H12O6,OCC1OC(O)C(O)C(O)C1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2",WQZGKKKJIJFFOK,UHFFFAOYSA,N,D-Glucopyranoside,WQZGKKKJIJFFOK-UHFFFAOYSA-N
HMDB62175,237.100107967,C12H15NO4,C[C@H](O)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C12H15NO4/c1-8(14)11(15)13-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,15)(H,16,17)/t8-,10-/m0/s1",IIRJJZHHNGABMQ,WPRPVWTQSA,N,N-lactoyl-Phenylalanine,IIRJJZHHNGABMQ-WPRPVWTQSA-N
HMDB62176,203.115758031,C9H17NO4,CC(C)C[C@H](NC(=O)[C@H](C)O)C(O)=O,"InChI=1S/C9H17NO4/c1-5(2)4-7(9(13)14)10-8(12)6(3)11/h5-7,11H,4H2,1-3H3,(H,10,12)(H,13,14)/t6-,7-/m0/s1",BUMIGZVUJKNXCO,BQBZGAKWSA,N,N-lactoyl-Leucine,BUMIGZVUJKNXCO-BQBZGAKWSA-N
HMDB62177,253.095022587,C12H15NO5,C[C@H](O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C12H15NO5/c1-7(14)11(16)13-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,14-15H,6H2,1H3,(H,13,16)(H,17,18)/t7-,10-/m0/s1",XBOGARDIMVJTKF,XVKPBYJWSA,N,N-lactoyl-Tyrosine,XBOGARDIMVJTKF-XVKPBYJWSA-N
HMDB62178,276.111007003,C14H16N2O4,C[C@H](O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C14H16N2O4/c1-8(17)13(18)16-12(14(19)20)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15,17H,6H2,1H3,(H,16,18)(H,19,20)/t8-,12-/m0/s1",AQHJZWISLYVACJ,UFBFGSQYSA,N,N-lactoyl-Tryptophan,AQHJZWISLYVACJ-UFBFGSQYSA-N
HMDB62179,258.096419578,C9H14N4O5,NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1",RTRQQBHATOEIAF,UUOKFMHZSA,N,AICA-riboside,RTRQQBHATOEIAF-UUOKFMHZSA-N
HMDB62180,202.12050906,C10H18O4,CC[C@@H](C)[C@H](CC(=O)[C@H](C)O)C(O)=O,"InChI=1S/C10H18O4/c1-4-6(2)8(10(13)14)5-9(12)7(3)11/h6-8,11H,4-5H2,1-3H3,(H,13,14)/t6-,7+,8+/m1/s1",DYYQDDUCQLULFE,CSMHCCOUSA,N,N-lactoyl-Isoeucine,DYYQDDUCQLULFE-CSMHCCOUSA-N
HMDB62181,189.100107967,C8H15NO4,CC(C)C(NC(=O)[C@H](C)O)C(O)=O,"InChI=1S/C8H15NO4/c1-4(2)6(8(12)13)9-7(11)5(3)10/h4-6,10H,1-3H3,(H,9,11)(H,12,13)/t5-,6?/m0/s1",IJKKTQLUXOILBQ,ZBHICJROSA,N,N-lactoyl-Valine,IJKKTQLUXOILBQ-ZBHICJROSA-N
HMDB62182,221.072179141,C8H15NO4S,CSCCC(NC(=O)[C@H](C)O)C(O)=O,"InChI=1S/C8H15NO4S/c1-5(10)7(11)9-6(8(12)13)3-4-14-2/h5-6,10H,3-4H2,1-2H3,(H,9,11)(H,12,13)/t5-,6?/m0/s1",UFMNJPDGXQPVJM,ZBHICJROSA,N,N-lactoyl-Methionine,UFMNJPDGXQPVJM-ZBHICJROSA-N
HMDB62183,147.053157774,C5H9NO4,C[C@H](O)C(=O)NCC(O)=O,"InChI=1S/C5H9NO4/c1-3(7)5(10)6-2-4(8)9/h3,7H,2H2,1H3,(H,6,10)(H,8,9)/t3-/m0/s1",CLNVOWMDSFOIPV,VKHMYHEASA,N,N-lactoyl-Glycine,CLNVOWMDSFOIPV-VKHMYHEASA-N
HMDB62184,767.115208365,C21H36N7O16P3S,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS,"InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1",RGJOEKWQDUBAIZ,IBOSZNHHSA,N,18-CoA-18-oxo-dinor-LTB4,RGJOEKWQDUBAIZ-IBOSZNHHSA-N
HMDB62185,243.050788793,C6H14NO7P,[H][C@@](CO)(COP(O)(=O)OCCN)OC=O,"InChI=1S/C6H14NO7P/c7-1-2-13-15(10,11)14-4-6(3-8)12-5-9/h5-6,8H,1-4,7H2,(H,10,11)/t6-/m1/s1",MIVJYYBLTQGACL,ZCFIWIBFSA,N,1-alkyl-2-acylglycerophosphoethanolamine,MIVJYYBLTQGACL-ZCFIWIBFSA-N
HMDB62186,133.037507709,C4H7NO4,NC(CC(O)=O)C(O)=O,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)",CKLJMWTZIZZHCS,UHFFFAOYSA,N,1-deoxy-1-(N6-lysino)-D-fructose,CKLJMWTZIZZHCS-UHFFFAOYSA-N
HMDB62187,219.143059,C12H18BNO2,CC1(C)OB(OC1(C)C)C1=CC=C(N)C=C1,"InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,14H2,1-4H3",ZANPJXNYBVVNSD,UHFFFAOYSA,N,"1-hydroperoxy-8-carboxyoctyl-3,4-epoxynon-(2E)-enyl-ether",ZANPJXNYBVVNSD-UHFFFAOYSA-N
HMDB62188,173.047678473,C10H7NO2,O=N(=O)C1=CC=CC2=CC=CC=C12,InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,RJKGJBPXVHTNJL,UHFFFAOYSA,N,1-nitronaphthalene,RJKGJBPXVHTNJL-UHFFFAOYSA-N
HMDB62189,157.052763849,C10H7NO,O=NC1=CC=CC2=CC=CC=C12,InChI=1S/C10H7NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,HXOPMUIUKYURIC,UHFFFAOYSA,N,1-nitrosonaphthalene,HXOPMUIUKYURIC-UHFFFAOYSA-N
HMDB62190,408.22769005,C19H37O7P,CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(O)(O)=O,"InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h2-17H2,1H3,(H2,22,23,24)",MLWXSIMRTQAWHY,UHFFFAOYSA,N,1-palmitoyl-dihydroxyacetone-phosphate,MLWXSIMRTQAWHY-UHFFFAOYSA-N
HMDB62191,339.996048936,C6H14O12P2,O[C@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O,"InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1",MCKAJXMRULSUKI,UZAAGFTCSA,N,"1-phosphatidyl-1D-myo-inositol-3,4-bisphosphate",MCKAJXMRULSUKI-UZAAGFTCSA-N
HMDB62192,286.105015438,C9H21NO7P,[H][C@@](CO)(COP(O)(=O)OCC[N+](C)(C)C)OC=O,"InChI=1S/C9H20NO7P/c1-10(2,3)4-5-16-18(13,14)17-7-9(6-11)15-8-12/h8-9,11H,4-7H2,1-3H3/p+1/t9-/m1/s1",WOBXACRJIURDTO,SECBINFHSA,O,1-radyl-2-acyl-sn-glycero-3-phosphocholine,WOBXACRJIURDTO-SECBINFHSA-O
HMDB62193,129.9588348,C2H4Cl2O2,OC(O)C(Cl)Cl,"InChI=1S/C2H4Cl2O2/c3-1(4)2(5)6/h1-2,5-6H",RUUBIFVWPACNLY,UHFFFAOYSA,N,"2,2-dichloro-1,1-ethanediol",RUUBIFVWPACNLY-UHFFFAOYSA-N
HMDB62194,174.052823422,C7H10O5,COC(=O)CC(=O)CC(=O)OC,"InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3",RNJOKCPFLQMDEC,UHFFFAOYSA,N,"2,6-dimethyl-trans-2-heptenoyl-CoA",RNJOKCPFLQMDEC-UHFFFAOYSA-N
HMDB62195,523.363789599,C26H54NO7P,CCCCCCCCCCCCCCCCOC[C@H](CO[P@@]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O,"InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1",HVAUUPRFYPCOCA,AREMUKBSSA,N,2-acetyl-1-alkyl-sn-glycero-3-phosphocholine,HVAUUPRFYPCOCA-AREMUKBSSA-N
HMDB62196,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,2-acyl-1-(1-alkenyl)-sn-glycero-3-phosphate,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62197,820.673346694,C57H88O3,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=CC(O)=CC(OC)=C1O)=C(\C)CCC=C(C)C,"InChI=1S/C57H88O3/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58)43-56(60-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43,58-59H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+",LIOKNOIJMJKVCG,RDSVHMIISA,N,"2-methoxy-6-all trans-decaprenyl-2-methoxy-1,4-benzoquinol",LIOKNOIJMJKVCG-RDSVHMIISA-N
HMDB62198,365.089285758,C12H19N3O8S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSCC(O)=O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C12H19N3O8S/c13-6(12(22)23)1-2-8(16)15-7(4-24-5-10(19)20)11(21)14-3-9(17)18/h6-7H,1-5,13H2,(H,14,21)(H,15,16)(H,17,18)(H,19,20)(H,22,23)/t6-,7-/m0/s1",WBINJBFJLWYSJZ,BQBZGAKWSA,N,2-S-glutathionyl acetate,WBINJBFJLWYSJZ-BQBZGAKWSA-N
HMDB62199,219.143059,C12H18BNO2,CC1(C)OB(OC1(C)C)C1=CC=C(N)C=C1,"InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,14H2,1-4H3",ZANPJXNYBVVNSD,UHFFFAOYSA,N,"3(S),5(S),12(R)-trihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA",ZANPJXNYBVVNSD-UHFFFAOYSA-N
HMDB62200,129.0093748,C4H4ClN3,ClC1=NNC(=N)C=C1,"InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)",DTXVKPOKPFWSFF,UHFFFAOYSA,N,3(S)-hydroxy-13-cis-docosenoyl-CoA,DTXVKPOKPFWSFF-UHFFFAOYSA-N
HMDB62201,129.0093748,C4H4ClN3,ClC1=NNC(=N)C=C1,"InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)",DTXVKPOKPFWSFF,UHFFFAOYSA,N,3(S)-hydroxy-13-cis-eicosenoyl-CoA,DTXVKPOKPFWSFF-UHFFFAOYSA-N
HMDB62202,180.063388116,C6H12O6,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1",WQZGKKKJIJFFOK,QZABAPFNSA,N,"3(S)-hydroxy-all-cis-8,11,14,17-eicosatetraenoyl-CoA",WQZGKKKJIJFFOK-QZABAPFNSA-N
HMDB62203,131.094628665,C6H13NO2,CC(C)CC(N)C(O)=O,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)",ROHFNLRQFUQHCH,UHFFFAOYSA,N,"3,3,5-triiodo-L-thyronine-beta-D-glucuronoside",ROHFNLRQFUQHCH-UHFFFAOYSA-N
HMDB62204,833.645334797,C57H85O4,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=CC(=CC([O-])=C1O)C(O)=O)=C(\C)CCC=C(C)C,"InChI=1S/C57H86O4/c1-43(2)21-12-22-44(3)23-13-24-45(4)25-14-26-46(5)27-15-28-47(6)29-16-30-48(7)31-17-32-49(8)33-18-34-50(9)35-19-36-51(10)37-20-38-52(11)39-40-53-41-54(57(60)61)42-55(58)56(53)59/h21,23,25,27,29,31,33,35,37,39,41-42,58-59H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,60,61)/p-1/b44-23+,45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+",HGWUGDIATLOPBN,BHZQGFRMSA,M,"3,4-dihydroxy-5-all-trans-decaprenylbenzoate",HGWUGDIATLOPBN-BHZQGFRMSA-M
HMDB62205,128.0141259,C5H5ClN2,NC1=CN=C(Cl)C=C1,"InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2",QAJYCQZQLVENRZ,UHFFFAOYSA,N,"3,5,3-triiodothyronine-4-sulfate",QAJYCQZQLVENRZ-UHFFFAOYSA-N
HMDB62206,450.334524581,C27H46O5,[H][C@](O)(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C)C([H])(C)C=O,"InChI=1S/C27H46O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h14-25,29-32H,5-13H2,1-4H3/t15-,16?,17+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1",MZWYIFQIBJLCBI,CJKJGBPISA,N,"3alpha,7alpha,12alpha,24(S)-tetrahydroxy-5beta-cholestan-27-al",MZWYIFQIBJLCBI-CJKJGBPISA-N
HMDB62207,449.327248129,C27H45O5,[H]C(C)(CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C)C([O-])=O,"InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/p-1/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1",CNWPIIOQKZNXBB,VCVMUKOKSA,M,"3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate",CNWPIIOQKZNXBB-VCVMUKOKSA-M
HMDB62208,434.339609961,C27H46O4,[H][C@](O)(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C([H])(C)C=O,"InChI=1S/C27H46O4/c1-16(5-8-23(30)17(2)15-28)20-6-7-21-25-22(10-12-27(20,21)4)26(3)11-9-19(29)13-18(26)14-24(25)31/h15-25,29-31H,5-14H2,1-4H3/t16-,17?,18+,19-,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1",GDUNLMLXJUYQIN,MNABXBHASA,N,"3alpha,7alpha,24(S)-trihydroxy-5beta-cholestan-27-al",GDUNLMLXJUYQIN-MNABXBHASA-N
HMDB62209,1193.394414298,C48H74N7O20P3S,[H][C@@](C)(CCC(=O)[C@@]([H])(C)C(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C48H78N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-31,33-34,36,38-40,44,56,58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,26-,27+,28-,29-,30+,31+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1",QWTJBRPOHKIMDT,QRIWBPLKSA,J,"3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestanoyl coa",QWTJBRPOHKIMDT-QRIWBPLKSA-J
HMDB62210,74.060040302,C3H8NO,[NH3+]CCC=O,"InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2/p+1",PCXDJQZLDDHMGX,UHFFFAOYSA,O,3-amino-propanal,PCXDJQZLDDHMGX-UHFFFAOYSA-O
HMDB62211,432.323959897,C27H44O4,[H]C(C)(CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(O)=O,"InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1",GYJSAWZGYQXRBS,GRJZKGIBSA,N,"3beta,7alpha-dihydroxy-5-cholestenoate",GYJSAWZGYQXRBS-GRJZKGIBSA-N
HMDB62212,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,3-beta-D-glucuronosyl-3-beta-D-galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62213,1013.315770052,C38H62N7O17P3S,[H]\C(CCCCCC)=C(/[H])CCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C38H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h9-10,25-27,31-33,37,48-49H,4-8,11-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/b10-9-/t27-,31-,32-,33+,37-/m1/s1",KFMWWNZRDBMYES,YGUIASHKSA,J,10Z-heptadecenoyl-CoA,KFMWWNZRDBMYES-YGUIASHKSA-J
HMDB62214,1059.391826054,C41H72N7O17P3S,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,28-30,34-36,40,51-52H,4-10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b12-11-/t30-,34?,35?,36+,40-/m1/s1",ZDRKXADSROCWCG,WWGPTAPKSA,N,11Z-eicosenoyl-CoA,ZDRKXADSROCWCG-WWGPTAPKSA-N
HMDB62215,1057.37617599,C41H70N7O17P3S,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,28-30,34-36,40,51-52H,4-7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-/t30-,34?,35?,36+,40-/m1/s1",YCKYOUVXZZJCIU,DKSPDXACSA,N,"11Z,14Z-eicosadienoyl-CoA",YCKYOUVXZZJCIU-DKSPDXACSA-N
HMDB62216,1055.360525926,C41H68N7O17P3S,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,28-30,34-36,40,51-52H,4,7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-/t30-,34?,35?,36+,40-/m1/s1",BVBYYRVLCDMZNJ,UDTSHSQKSA,N,"11Z,14Z,17Z-eicosatrienoyl-CoA",BVBYYRVLCDMZNJ-UDTSHSQKSA-N
HMDB62217,1087.423126183,C43H76N7O17P3S,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h11-12,30-32,36-38,42,53-54H,4-10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b12-11-/t32-,36-,37-,38+,42-/m1/s1",OWGHRDKRIGXBJM,SPZFTOIUSA,N,13Z-docosenoyl-CoA,OWGHRDKRIGXBJM-SPZFTOIUSA-N
HMDB62218,282.255880335,C18H34O2,[H]\C(CCCC)=C(/[H])CCCCCCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5-",BDLLSHRIFPDGQB,WAYWQWQTSA,N,13Z-octadecenoic acid,BDLLSHRIFPDGQB-WAYWQWQTSA-N
HMDB62219,336.302830528,C22H40O2,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(O)=O,"InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-",HVGRZDASOHMCSK,HZJYTTRNSA,N,"13Z,16Z-docosadienoic acid",HVGRZDASOHMCSK-HZJYTTRNSA-N
HMDB62220,1085.407476119,C43H74N7O17P3S,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C43H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,30-32,36-38,42,53-54H,4-7,10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-/t32-,36?,37?,38+,42-/m1/s1",ZLXWEKYVHIYDIY,FXJMERBRSA,N,"13Z,16Z-docosadienoyl-CoA",ZLXWEKYVHIYDIY-FXJMERBRSA-N
HMDB62221,1115.454426312,C45H80N7O17P3S,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,32-34,38-40,44,55-56H,4-10,13-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b12-11-/t34-,38?,39?,40+,44-/m1/s1",QHZAQVTVYPHLKK,KQHYVFTESA,N,15Z-tetracosenoyl-CoA,QHZAQVTVYPHLKK-KQHYVFTESA-N
HMDB62222,318.219494826,C20H30O3,[H]\C(CCCC(O)=O)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])/C(/[H])=C(\[H])[C@]([H])(O)CC,"InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m1/s1",LRWYBGFSVUBWMO,UAAZXLHOSA,N,"18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid",LRWYBGFSVUBWMO-UAAZXLHOSA-N
HMDB62223,306.12559444,C20H18O3,[H][C@@]12O[C@]1([H])[C@]([H])(O)[C@@]([H])(O)C1=C2C2=C(C)C3=CC=CC=C3C(C)=C2C=C1,"InChI=1S/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3/t17-,18+,19-,20+/m0/s1",SZIWZGXOWBSPTO,ZGXWSNOMSA,N,"(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol",SZIWZGXOWBSPTO-ZGXWSNOMSA-N
HMDB62224,1215.434084792,C48H80N7O21P3S,[H][C@@](C)(CC[C@@]([H])(O)[C@@]([H])(C)C(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C,"InChI=1S/C48H80N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-34,36,38-40,44,56-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",PXHZOQNODUPJKC,MTLGCJAASA,N,"(24R,25R)3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoyl-CoA",PXHZOQNODUPJKC-MTLGCJAASA-N
HMDB62225,129.078978601,C6H11NO2,NC1(CCCC1)C(O)=O,"InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)",NILQLFBWTXNUOE,UHFFFAOYSA,N,(2E)-Decenoyl-ACP,NILQLFBWTXNUOE-UHFFFAOYSA-N
HMDB62226,1083.394020374,C43H72N7O17P3S,[H]\C(CCCCCCCCCCCCCCCCCCC)=C(\[H])C(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h22-23,30-32,36-38,42,53-54H,4-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b23-22+/t32-,36-,37-,38+,42-/m1/s1",KRTIFNFQCJTGMV,DYAVHEMFSA,J,(2E)-Docosenoyl-CoA,KRTIFNFQCJTGMV-DYAVHEMFSA-J
HMDB62227,1055.362720245,C41H68N7O17P3S,[H]\C(CCCCCCCCCCCCCCCCC)=C(\[H])C(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h20-21,28-30,34-36,40,51-52H,4-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b21-20+/t30-,34-,35-,36+,40-/m1/s1",ROOFWBIMBMJYGA,DSAUMYHJSA,J,(2E)-Eicosenoyl-CoA,ROOFWBIMBMJYGA-DSAUMYHJSA-J
HMDB62228,1139.456620632,C47H80N7O17P3S,[H]\C(CCCCCCCCCCCCCCCCCCCCCCC)=C(\[H])C(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C47H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h26-27,34-36,40-42,46,57-58H,4-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/b27-26+/t36-,40-,41-,42+,46-/m1/s1",GGUUXBBWTGIIGE,KESUDTCVSA,J,(2E)-Hexacosenoyl-CoA,GGUUXBBWTGIIGE-KESUDTCVSA-J
HMDB62229,985.284469923,C36H58N7O17P3S,[H]\C(CCCCCCCCCCCC)=C(\[H])C(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C36H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h15-16,23-25,29-31,35,46-47H,4-14,17-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/b16-15+/t25-,29-,30-,31+,35-/m1/s1",BUFWYEICGKLDLP,OUZMRWKYSA,J,(2E)-Pentadecenoyl-CoA,BUFWYEICGKLDLP-OUZMRWKYSA-J
HMDB62230,845.127969279,C26H38N7O17P3S,[H]\C(CC)=C(\[H])C(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/b6-5+/t15-,19-,20-,21+,25-/m1/s1",GJSFKOVNQYGUGN,JQVZGLFNSA,J,(2E)-Pentenoyl-CoA,GJSFKOVNQYGUGN-JQVZGLFNSA-J
HMDB62231,1111.425320503,C45H76N7O17P3S,[H]\C(CCCCCCCCCCCCCCCCCCCCC)=C(\[H])C(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h24-25,32-34,38-40,44,55-56H,4-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b25-24+/t34-,38-,39-,40+,44-/m1/s1",UVJKZCSQLMWPMV,LQJAWXTISA,J,(2E)-Tetracosenoyl-CoA,UVJKZCSQLMWPMV-LQJAWXTISA-J
HMDB62232,1097.409670438,C44H74N7O17P3S,[H]\C(CCCCCCCCCCCCCCCCCCCC)=C(\[H])C(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C44H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h23-24,31-33,37-39,43,54-55H,4-22,25-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/p-4/b24-23+/t33-,37-,38-,39+,43-/m1/s1",CAWFROVHOZZJJP,DFNRIUMZSA,J,(2E)-Tricosenoyl-CoA,CAWFROVHOZZJJP-DFNRIUMZSA-J
HMDB62233,1047.391826054,C40H72N7O17P3S,[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]([H])(C)C(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/t26-,27-,28+,29-,32?,33?,34+,38-/m1/s1",XYJPSQPVCBNZHT,GPUGWENXSA,N,"2S,6R,10R,14-tetramethylpentadecanoyl-CoA",XYJPSQPVCBNZHT-GPUGWENXSA-N
HMDB62234,1079.360525926,C43H68N7O17P3S,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4-7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36?,37?,38+,42-/m1/s1",QKBTYZDPVNTERQ,XRUDLNQTSA,N,"4Z,7Z,10Z,13Z,16Z-docosapentaenoyl-CoA",QKBTYZDPVNTERQ-XRUDLNQTSA-N
HMDB62235,1077.344875861,C43H66N7O17P3S,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36?,37?,38+,42-/m1/s1",MENFZXMQSYYVRK,KHUYXGPVSA,N,"4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-CoA",MENFZXMQSYYVRK-KHUYXGPVSA-N
HMDB62236,208.13107375,C9H20O5,COCCOCCOCCOCCO,"InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3",ZNYRFEPBTVGZDN,UHFFFAOYSA,N,"5S,6S-epoxy-15R-hydroxy-ETE",ZNYRFEPBTVGZDN-UHFFFAOYSA-N
HMDB62237,1055.360525926,C41H68N7O17P3S,[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,14-15,17-18,28-30,34-36,40,51-52H,4-10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b12-11-,15-14-,18-17-/t30-,34?,35?,36+,40-/m1/s1",XVHUACBAJILXGX,UWFUVWAKSA,N,"5Z,8Z,11Z-eicosatrienoyl-CoA",XVHUACBAJILXGX-UWFUVWAKSA-N
HMDB62238,280.24023027,C18H32O2,CCCCCCCC\C=C/C\C=C/CCCCC(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,12-13H,2-8,11,14-17H2,1H3,(H,19,20)/b10-9-,13-12-",ZMKDEQUXYDZSNN,UTJQPWESSA,N,"6Z,9Z-octadecadienoic acid",ZMKDEQUXYDZSNN-UTJQPWESSA-N
HMDB62239,1029.344875861,C39H66N7O17P3S,[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,14-15,26-28,32-34,38,49-50H,4-10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-,15-14-/t28-,32?,33?,34+,38-/m1/s1",JCRYGPFEDHBITQ,VYSJPFRISA,N,"6Z,9Z-octadecadienoyl-CoA",JCRYGPFEDHBITQ-VYSJPFRISA-N
HMDB62240,1107.391826054,C45H72N7O17P3S,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38?,39?,40+,44-/m1/s1",XZYNVQDKYRHKFG,MNPBKAPBSA,N,"6Z,9Z,12Z,15Z,18Z-tetracosapentaenoyl-CoA",XZYNVQDKYRHKFG-MNPBKAPBSA-N
HMDB62241,1105.37617599,C45H70N7O17P3S,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38?,39?,40+,44-/m1/s1",KRIFZIRXAAITHR,PPVKVCQYSA,N,"6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl-CoA",KRIFZIRXAAITHR-PPVKVCQYSA-N
HMDB62242,282.255880335,C18H34O2,[H]\C(CCCCCCCCCC)=C(/[H])CCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-10,13-17H2,1H3,(H,19,20)/b12-11-",RVUCYJXFCAVHNC,QXMHVHEDSA,N,7Z-octadecenoic acid,RVUCYJXFCAVHNC-QXMHVHEDSA-N
HMDB62243,226.193280077,C14H26O2,[H]\C(CCCCCC)=C(/[H])CCCCCC(O)=O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h7-8H,2-6,9-13H2,1H3,(H,15,16)/b8-7-",ZVXDGKJSUPWREP,FPLPWBNLSA,N,7Z-tetradecenoic acid,ZVXDGKJSUPWREP-FPLPWBNLSA-N
HMDB62244,399.7508216,C10Cl8,ClC1=C(Cl)C2=C(C(Cl)=C1Cl)C(Cl)=C(Cl)C(Cl)=C2Cl,InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12,RTNLUFLDZOAXIC,UHFFFAOYSA,N,cis-myrist-7-enoyl-CoA,RTNLUFLDZOAXIC-UHFFFAOYSA-N
HMDB62245,1081.37617599,C43H70N7O17P3S,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4-7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17?/t32-,36?,37?,38+,42-/m1/s1",LVXQCHCSSLFKLO,XZVNPBFJSA,N,"7Z,10Z,13Z,16Z-docosatetraenoyl-CoA",LVXQCHCSSLFKLO-XZVNPBFJSA-N
HMDB62246,1057.37617599,C41H70N7O17P3S,[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,14-15,28-30,34-36,40,51-52H,4-10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b12-11-,15-14-/t30-,34?,35?,36+,40-/m1/s1",IDZIQDSITPCMGI,PKNKSPAMSA,N,"8Z,11Z-eicosadienoyl-CoA",IDZIQDSITPCMGI-PKNKSPAMSA-N
HMDB62247,1053.344875861,C41H66N7O17P3S,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,28-30,34-36,40,51-52H,4,7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-/t30-,34?,35?,36+,40-/m1/s1",PLHICYKOPITJJT,IUEPDPIBSA,N,"8Z,11Z,14Z,17Z-eicosatetraenoyl-CoA",PLHICYKOPITJJT-IUEPDPIBSA-N
HMDB62248,226.193280077,C14H26O2,CCCC\C=C\CCCCCCCC(O)=O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+",YWWVWXASSLXJHU,AATRIKPKSA,N,9E-tetradecenoic acid,YWWVWXASSLXJHU-AATRIKPKSA-N
HMDB62249,1109.407476119,C45H74N7O17P3S,[H]\C(CCCCC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11?,15-14-,18-17-/t34-,38?,39?,40+,44-/m1/s1",OKOXEYTYHDPTEW,BDTIKYAMSA,N,"9Z,12Z,15Z,18Z-tetracosatetraenoyl-CoA",OKOXEYTYHDPTEW-BDTIKYAMSA-N
HMDB62250,1107.391826054,C45H72N7O17P3S,[H]C(CC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4,7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5?,9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1",BNAMTMVBOVNNSH,IXEGOOPNSA,N,"9Z,12Z,15Z,18Z,21Z-tetracosapentaenoyl-CoA",BNAMTMVBOVNNSH-IXEGOOPNSA-N
HMDB62251,89.047678473,C3H7NO2,CC(N)C(O)=O,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)",QNAYBMKLOCPYGJ,UHFFFAOYSA,N,"(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein)",QNAYBMKLOCPYGJ-UHFFFAOYSA-N
HMDB62252,233.95416,C7H7IO,COC1=CC=C(I)C=C1,"InChI=1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",SYSZENVIJHPFNL,UHFFFAOYSA,N,"(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein)",SYSZENVIJHPFNL-UHFFFAOYSA-N
HMDB62253,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,(R)-3-Hydroxybutanoyl-ACP,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62254,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,(R)-3-Hydroxydecanoyl-ACP,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62255,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,(R)-3-Hydroxyoctanoyl-ACP,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62256,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,(R)-3-Hydroxypalmitoyl-ACP,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62257,128.0141259,C5H5ClN2,NC1=CN=C(Cl)C=C1,"InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2",QAJYCQZQLVENRZ,UHFFFAOYSA,N,(R)-4-Phosphopantothenoyl-cysteine,QAJYCQZQLVENRZ-UHFFFAOYSA-N
HMDB62258,1043.326334736,C39H64N7O18P3S,[H]\C(CCCCCC)=C(/[H])CCCCCCC[C@]([H])(O)CC(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h9-10,25-28,32-34,38,47,50-51H,4-8,11-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b10-9-/t27-,28+,32+,33+,34-,38+/m0/s1",SCDXBWNPJAGEEK,KBOAXVDLSA,J,(S)-3-hydroxy-11-cis-octadecenoyl-CoA,SCDXBWNPJAGEEK-KBOAXVDLSA-J
HMDB62259,853.151989708,C25H42N7O18P3S,[H][C@@](C)(O)CC(=O)SCCN=C(O)CCN=C(O)C([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20?,24+/m0/s1",QHHKKMYHDBRONY,BEVJUKKNSA,N,(S)-3-Hydroxybutyryl-CoA,QHHKKMYHDBRONY-BEVJUKKNSA-N
HMDB62260,965.277190224,C33H58N7O18P3S,[H][C@](O)(CCCCCCCCC)CC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@@]1([H])OP(O)(O)=O,"InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21-,22+,26?,27-,28-,32+/m0/s1",IJFLXRCJWPKGKJ,BSHUTGDISA,N,3S-hydroxydodecanoyl-CoA,IJFLXRCJWPKGKJ-BSHUTGDISA-N
HMDB62261,1021.339790481,C37H66N7O18P3S,[H][C@](O)(CCCCCCCCCCCCC)CC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@@]1([H])OP(O)(O)=O,"InChI=1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25-,26+,30?,31-,32-,36+/m0/s1",DEHLMTDDPWDRDR,LUWNQMSLSA,N,3S-hydroxyhexadecanoyl-CoA,DEHLMTDDPWDRDR-LUWNQMSLSA-N
HMDB62262,881.183289837,C27H46N7O18P3S,[H][C@](O)(CCC)CC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@@]1([H])OP(O)(O)=O,"InChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16+,20?,21-,22-,26+/m0/s1",VAAHKRMGOFIORX,HQMSTBIRSA,N,3S-hydroxy-hexanoyl-CoA,VAAHKRMGOFIORX-HQMSTBIRSA-N
HMDB62263,105.042593095,C3H7NO3,NC(CO)C(O)=O,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)",MTCFGRXMJLQNBG,UHFFFAOYSA,N,Protein serine,MTCFGRXMJLQNBG-UHFFFAOYSA-N
HMDB62264,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,1-(1-Alkenyl)-sn-glycero-3-phosphate,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62265,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,1-(1-Alkenyl)-sn-glycero-3-phosphoethanolamine,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62266,167.094628663,C9H13NO2,OCCCC(O)C1=CN=CC=C1,"InChI=1S/C9H13NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9,11-12H,2,4,6H2",RGJHRVMTLGLFPX,UHFFFAOYSA,N,"1-(3-Pyridinyl)-1,4-butanediol",RGJHRVMTLGLFPX-UHFFFAOYSA-N
HMDB62267,136.063662888,C7H8N2O,OC(=N)NC1=CC=CC=C1,"InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)",LUBJCRLGQSPQNN,UHFFFAOYSA,N,"1,2-Diacylglycerol-Bile-PC-pool",LUBJCRLGQSPQNN-UHFFFAOYSA-N
HMDB62268,136.063662888,C7H8N2O,OC(=N)NC1=CC=CC=C1,"InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)",LUBJCRLGQSPQNN,UHFFFAOYSA,N,"1,2-Diacylglycerol-LD-PC-pool",LUBJCRLGQSPQNN-UHFFFAOYSA-N
HMDB62269,136.073558866,C5H12O4,OCC(CO)(CO)CO,"InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2",WXZMFSXDPGVJKK,UHFFFAOYSA,N,"1,2-Diacylglycerol-LD-PE-pool",WXZMFSXDPGVJKK-UHFFFAOYSA-N
HMDB62270,119.037113787,C7H5NO,O=C=NC1=CC=CC=C1,InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H,DGTNSSLYPYDJGL,UHFFFAOYSA,N,"1,2-Diacylglycerol-LD-PI-pool",DGTNSSLYPYDJGL-UHFFFAOYSA-N
HMDB62271,162.89946137,CCl3NO2,ClC(Cl)(Cl)N(=O)=O,"InChI=1S/CCl3NO2/c2-1(3,4)5(6)7",LFHISGNCFUNFFM,UHFFFAOYSA,N,"1,2-Diacylglycerol-LD-PS-pool",LFHISGNCFUNFFM-UHFFFAOYSA-N
HMDB62272,151.919728244,Sm,[Sm],InChI=1S/Sm,KZUNJOHGWZRPMI,UHFFFAOYSA,N,"1,2-Diacylglycerol-LD-SM-pool",KZUNJOHGWZRPMI-UHFFFAOYSA-N
HMDB62273,178.062994182,C10H10O3,OC1C2OC2C2=CC=CC=C2C1O,"InChI=1S/C10H10O3/c11-7-5-3-1-2-4-6(5)9-10(13-9)8(7)12/h1-4,7-12H",XDSJRQRRQDAPNL,UHFFFAOYSA,N,"1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene",XDSJRQRRQDAPNL-UHFFFAOYSA-N
HMDB62274,170.08439833,C11H10N2,NC1=CC=C(C=C1)C1=CC=CC=N1,"InChI=1S/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2",BXYRAPNURYRQSP,UHFFFAOYSA,N,10-hydroperoxy-H4-neuroprostane,BXYRAPNURYRQSP-UHFFFAOYSA-N
HMDB62275,170.08439833,C11H10N2,NC1=CC=C(C=C1)C1=CC=CC=N1,"InChI=1S/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2",BXYRAPNURYRQSP,UHFFFAOYSA,N,10-hydroxy-D4-neuroprostane,BXYRAPNURYRQSP-UHFFFAOYSA-N
HMDB62276,170.08439833,C11H10N2,NC1=CC=C(C=C1)C1=CC=CC=N1,"InChI=1S/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2",BXYRAPNURYRQSP,UHFFFAOYSA,N,10-hydroxy-E4-neuroprostane,BXYRAPNURYRQSP-UHFFFAOYSA-N
HMDB62277,170.08439833,C11H10N2,NC1=CC=C(C=C1)C1=CC=CC=N1,"InChI=1S/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2",BXYRAPNURYRQSP,UHFFFAOYSA,N,10-peroxy-docosahexaenoate,BXYRAPNURYRQSP-UHFFFAOYSA-N
HMDB62278,354.240624195,C20H34O5,[H]\C(CCCC(O)=O)=C(\[H])CC([H])=C([H])CC(O)C(O)C(\[H])=C(/[H])C(O)CCCCC,"InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4+,10-7?,16-15+",PRMWQIVYOYCJQC,OKZFOFOKSA,N,"11,12,15-trihydroxyeicosatrienoic acid",PRMWQIVYOYCJQC-OKZFOFOKSA-N
HMDB62279,219.143059,C12H18BNO2,CC1(C)OB(OC1(C)C)C1=CC=C(N)C=C1,"InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,14H2,1-4H3",ZANPJXNYBVVNSD,UHFFFAOYSA,N,"11,15-cyclo-12,14-cycloperoxy-8-hydroperoxy-5Z,9E-eicosadienoic",ZANPJXNYBVVNSD-UHFFFAOYSA-N
HMDB62280,157.947961,C4H3BrN2,BrC1=CN=CN=C1,InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H,GYCPLYCTMDTEPU,UHFFFAOYSA,N,11-cis-Retinyl-palmitate,GYCPLYCTMDTEPU-UHFFFAOYSA-N
HMDB62281,312.23005951,C18H32O4,[H]\C(CCCCC)=C(/[H])[C@]([H])(OO)C(\[H])=C(\[H])CCCCCCCC(O)=O,"InChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/b14-11-,15-12-/t17-/m0/s1",PLWDMWAXENHPLY,PDBSFCERSA,N,11-HpODE,PLWDMWAXENHPLY-PDBSFCERSA-N
HMDB62282,157.947961,C4H3BrN2,BrC1=CN=CN=C1,InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H,GYCPLYCTMDTEPU,UHFFFAOYSA,N,11-hydroperoxy-H4-neuroprostane,GYCPLYCTMDTEPU-UHFFFAOYSA-N
HMDB62283,157.947961,C4H3BrN2,BrC1=CN=CN=C1,InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H,GYCPLYCTMDTEPU,UHFFFAOYSA,N,11-hydroxy-D4-neuroprostane,GYCPLYCTMDTEPU-UHFFFAOYSA-N
HMDB62284,157.947961,C4H3BrN2,BrC1=CN=CN=C1,InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H,GYCPLYCTMDTEPU,UHFFFAOYSA,N,11-hydroxy-E4-neuroprostane,GYCPLYCTMDTEPU-UHFFFAOYSA-N
HMDB62285,157.947961,C4H3BrN2,BrC1=CN=CN=C1,InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H,GYCPLYCTMDTEPU,UHFFFAOYSA,N,11-peroxy-docosahexaenoate,GYCPLYCTMDTEPU-UHFFFAOYSA-N
HMDB62286,439.239244469,C23H37NO5S,[H]\C(CCCCC)=C(/[H])C\C([H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@@]([H])(SC[C@]([H])(N)C(O)=O)[C@@]([H])(O)CCCC(O)=O,"InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9+,12-11+,16-13+/t19-,20-,21+/m0/s1",OTZRAYGBFWZKMX,DVFCZEDWSA,N,11-trans-LTE4,OTZRAYGBFWZKMX-DVFCZEDWSA-N
HMDB62287,320.23514489,C20H32O3,[H]\C(CCCC(O)=O)=C(\[H])CC([H])=C([H])C([H])=C([H])[C@@]([H])(O)C\C([H])=C(\[H])CCCCC,"InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8?,13-10-,17-14?/t19-/m0/s1",ZNHVWPKMFKADKW,SEXNTHKDSA,N,"12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid",ZNHVWPKMFKADKW-SEXNTHKDSA-N
HMDB62288,294.219494826,C18H30O3,[H]\C(CCCCC(O)=O)=C(/[H])CC([H])=C([H])CC1OC1CCCCC,"InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h4-5,8,11,16-17H,2-3,6-7,9-10,12-15H2,1H3,(H,19,20)/b5-4-,11-8-",TVHXKPMFCYEQTM,YMVJEYMASA,N,"12(13)-epoxy-6Z,9Z-octadecadienoic acid",TVHXKPMFCYEQTM-YMVJEYMASA-N
HMDB62289,156.952712,C5H4BrN,BrC1=CC=CC=N1,InChI=1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H,IMRWILPUOVGIMU,UHFFFAOYSA,N,"12,13-epoxy-9-alkoxy-10E-octadecenoate",IMRWILPUOVGIMU-UHFFFAOYSA-N
HMDB62290,322.250794955,C20H34O3,[H]\C(CCCC(O)=O)=C(/[H])C\C([H])=C(\[H])CC[C@@]([H])(O)C\C([H])=C(\[H])CCCCC,"InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,19,21H,2-6,12,14-18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-/t19-/m0/s1",RFAKHEWADWLSJX,ZIQRGBBDSA,N,"12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid",RFAKHEWADWLSJX-ZIQRGBBDSA-N
HMDB62291,352.22497413,C20H32O5,[H]\C(CCC(=O)CCCCC)=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@@]([H])(O)[C@@]([H])(O)CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t18-,19+/m1/s1",FPRPRBFSKMFXRV,JWVNNVTNSA,N,"15-oxo-5S,6R-dihydroxy-7E,9E,11Z-eicosatrienoic acid",FPRPRBFSKMFXRV-JWVNNVTNSA-N
HMDB62292,122.053909934,C6H7BO2,OB(O)C1=CC=CC=C1,"InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H",HXITXNWTGFUOAU,UHFFFAOYSA,N,14-hydroperoxy-H4-neuroprostane,HXITXNWTGFUOAU-UHFFFAOYSA-N
HMDB62293,318.219494826,C20H30O3,[H]\C(CC)=C(/[H])C[C@@]([H])(O)C(\[H])=C(/[H])\C(\[H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m1/s1",WLKCSMCLEKGITB,MXTKCVSJSA,N,"15R-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid",WLKCSMCLEKGITB-MXTKCVSJSA-N
HMDB62294,320.23514489,C20H32O3,[H]\C(CCCC(O)=O)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C([H])=C([H])[C@]([H])(O)CCCCC,"InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m1/s1",JSFATNQSLKRBCI,UDQWCNDOSA,N,"15R-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid",JSFATNQSLKRBCI-UDQWCNDOSA-N
HMDB62295,238.098727764,C8H18N2O4S,OCCN1CCN(CCS(O)(=O)=O)CC1,"InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)",JKMHFZQWWAIEOD,UHFFFAOYSA,N,15(R)-hydroperoxy-EPE,JKMHFZQWWAIEOD-UHFFFAOYSA-N
HMDB62296,318.219494826,C20H30O3,[H]\C(CC)=C(/[H])C[C@]([H])(O)C(\[H])=C(/[H])\C(\[H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1",WLKCSMCLEKGITB,DBVSHIMFSA,N,"15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid",WLKCSMCLEKGITB-DBVSHIMFSA-N
HMDB62297,350.209324066,C20H30O5,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)CC(=O)[C@]1([H])C([H])=C([H])C(=O)CCCCC,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-18,22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+/m1/s1",XEQAHADLFLAPQL,RBIQQSKKSA,N,"9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid",XEQAHADLFLAPQL-RBIQQSKKSA-N
HMDB62298,334.214409446,C20H30O4,[H]\C(CCCC(O)=O)=C(/[H])C[C@]1([H])\C(=C(\[H])/C(/[H])=C(\[H])CCCCC)C(=O)C[C@]1([H])O,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m1/s1",QUGBPWLPAUHDTI,PLGLXCLHSA,N,15-deoxy-PGD2,QUGBPWLPAUHDTI-PLGLXCLHSA-N
HMDB62299,170.08439833,C11H10N2,NC1=CC=C(C=C1)C1=CC=CC=N1,"InChI=1S/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2",BXYRAPNURYRQSP,UHFFFAOYSA,N,"5(S),14(R),15(S)-trihydroxy-6,8,12-trans-10-cis-eicosatetraenoate",BXYRAPNURYRQSP-UHFFFAOYSA-N
HMDB62300,350.209324066,C20H30O5,[H]\C(\C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@@]([H])(O)[C@@]([H])(O)CCCC(O)=O)=C(/[H])C([H])=C([H])C(=O)CCCCC,"InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,18-19,22-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9?,14-10+/t18-,19+/m1/s1",KMQGFEBCBYXSPZ,LJWKICLNSA,N,"15-oxo-5S,6R-dihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid",KMQGFEBCBYXSPZ-LJWKICLNSA-N
HMDB62301,338.172938557,C18H26O6,OC(CCCC(O)=O)C=CC=CC=CC(O)CC=CCCC(O)=O,"InChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)",XWRIIHRGMKHPHN,UHFFFAOYSA,N,18-carboxy dinor Leukotriene B4,XWRIIHRGMKHPHN-UHFFFAOYSA-N
HMDB62302,320.23514489,C20H32O3,[H]\C(CCCC(O)=O)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(O)CC,"InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-",PPCHNRUZQWLEMF,XBOCNYGYSA,N,"18-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid",PPCHNRUZQWLEMF-XBOCNYGYSA-N
HMDB62303,462.274640723,C23H43O7P,[H]C(CCCCC)=C([H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C23H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h6-7,9-10,22,24H,2-5,8,11-21H2,1H3,(H2,26,27,28)/b7-6?,10-9-/t22-/m1/s1",PIWSAHYRIXOITD,MNZXDXIFSA,N,"1-(11Z,14Z-eicosadienoyl)-glycero-3-phosphate",PIWSAHYRIXOITD-MNZXDXIFSA-N
HMDB62304,492.321590916,C25H49O7P,[H]\C(CCCCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C25H49O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h11-12,24,26H,2-10,13-23H2,1H3,(H2,28,29,30)/b12-11-/t24-/m1/s1",SNGZFCPKZNNZFT,FJIRUFBNSA,N,1-(11Z-docosenoyl)-glycero-3-phosphate,SNGZFCPKZNNZFT-FJIRUFBNSA-N
HMDB62305,464.290290787,C23H45O7P,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C23H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h9-10,22,24H,2-8,11-21H2,1H3,(H2,26,27,28)/b10-9-/t22-/m1/s1",OAYFHKCHTMNTLM,MZMPXXGTSA,N,1-(11Z-eicosenoyl)-glycero-3-phosphate,OAYFHKCHTMNTLM-MZMPXXGTSA-N
HMDB62306,490.305940851,C25H47O7P,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C25H47O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h6-7,9-10,24,26H,2-5,8,11-23H2,1H3,(H2,28,29,30)/b7-6-,10-9-/t24-/m1/s1",GFXKNONHFFXXOL,XBJNFHHOSA,N,"1-(13Z,16Z-docosadienoyl)-glycero-3-phosphate",GFXKNONHFFXXOL-XBJNFHHOSA-N
HMDB62307,482.243340594,C25H39O7P,[H]C(CC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C25H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h3-4,6-7,9-10,12-13,15-16,18-19,24,26H,2,5,8,11,14,17,20-23H2,1H3,(H2,28,29,30)/b4-3?,7-6?,10-9-,13-12-,16-15-,19-18-/t24-/m1/s1",UWHSPTWBPTXYMF,IZJKNPMXSA,N,"1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phosphate",UWHSPTWBPTXYMF-IZJKNPMXSA-N
HMDB62308,456.227690529,C23H37O7P,[H]C(CC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C23H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h3-4,6-7,9-10,12-13,15-16,22,24H,2,5,8,11,14,17-21H2,1H3,(H2,26,27,28)/b4-3?,7-6?,10-9-,13-12-,16-15-/t22-/m1/s1",DKFJPTBTSHHMCQ,HBBPWDRDSA,N,"1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphate",DKFJPTBTSHHMCQ-HBBPWDRDSA-N
HMDB62309,430.212040465,C21H35O7P,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C21H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,12-13,20,22H,2,5,8,11,14-19H2,1H3,(H2,24,25,26)/b4-3-,7-6-,10-9-,13-12-/t20-/m1/s1",AHLQLKDUCYXYLC,VAVNNBBDSA,N,"1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycero-3-phosphate",AHLQLKDUCYXYLC-VAVNNBBDSA-N
HMDB62310,486.274640723,C25H43O7P,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C25H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h6-7,9-10,12-13,15-16,24,26H,2-5,8,11,14,17-23H2,1H3,(H2,28,29,30)/b7-6-,10-9-,13-12-,16-15-/t24-/m1/s1",KSDVXYAHZXLGDS,XSQXPFHXSA,N,"1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphate",KSDVXYAHZXLGDS-XSQXPFHXSA-N
HMDB62311,380.196390401,C17H33O7P,[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C17H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h5-6,16,18H,2-4,7-15H2,1H3,(H2,20,21,22)/b6-5-/t16-/m1/s1",IQSHJASKBUVXAG,OGZRUICASA,N,1-(9Z-tetradecenoyl)-glycero-3-phosphate,IQSHJASKBUVXAG-OGZRUICASA-N
HMDB62312,458.243340594,C23H39O7P,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C23H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h6-7,9-10,12-13,15-16,22,24H,2-5,8,11,14,17-21H2,1H3,(H2,26,27,28)/b7-6-,10-9-,13-12-,16-15-/t22-/m1/s1",XBFQFMCUPHZKTI,NZRYSPDRSA,N,"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate",XBFQFMCUPHZKTI-NZRYSPDRSA-N
HMDB62313,460.258990658,C23H41O7P,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C23H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h6-7,9-10,12-13,22,24H,2-5,8,11,14-21H2,1H3,(H2,26,27,28)/b7-6-,10-9-,13-12-/t22-/m1/s1",LZSKMXWVALYCLG,CSLWLMPESA,N,"1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate",LZSKMXWVALYCLG-CSLWLMPESA-N
HMDB62314,494.33724098,C25H51O7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(O)(O)=O,"InChI=1S/C25H51O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h24,26H,2-23H2,1H3,(H2,28,29,30)/t24-/m1/s1",SQNPGTTUWWZACK,XMMPIXPASA,N,1-docosanoyl-glycero-3-phosphate,SQNPGTTUWWZACK-XMMPIXPASA-N
HMDB62315,466.305940851,C23H47O7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(O)(O)=O,"InChI=1S/C23H47O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h22,24H,2-21H2,1H3,(H2,26,27,28)/t22-/m1/s1",NWCZIQDBEQKZSD,JOCHJYFZSA,N,1-eicosanoyl-glycero-3-phosphate,NWCZIQDBEQKZSD-JOCHJYFZSA-N
HMDB62316,432.227690529,C21H37O7P,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,12-13,20,22H,2-5,8,11,14-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-,13-12-/t20-/m1/s1",KWFUSJZUJLGPTO,ZJVPVJIZSA,N,"1-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphate",KWFUSJZUJLGPTO-ZJVPVJIZSA-N
HMDB62317,480.321590916,C24H49O7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(O)(O)=O,"InChI=1S/C24H49O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)30-21-23(25)22-31-32(27,28)29/h23,25H,2-22H2,1H3,(H2,27,28,29)/t23-/m1/s1",SPXKINNONQHLLM,HSZRJFAPSA,N,1-heneicosanoyl-glycero-3-phosphate,SPXKINNONQHLLM-HSZRJFAPSA-N
HMDB62318,424.258990658,C20H41O7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COP(O)(O)=O,"InChI=1S/C20H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)26-17-19(21)18-27-28(23,24)25/h19,21H,2-18H2,1H3,(H2,23,24,25)/t19-/m1/s1",AXKVUJMUBAXXKG,LJQANCHMSA,N,1-heptadecanoyl-glycero-3-phosphate,AXKVUJMUBAXXKG-LJQANCHMSA-N
HMDB62319,354.180740336,C15H31O7P,[H][C@@](O)(COC(=O)CCCCCCCCCCC)COP(O)(O)=O,"InChI=1S/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)21-12-14(16)13-22-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20)/t14-/m1/s1",STTKJLVEXMKLNA,CQSZACIVSA,N,1-dodecanoyl-glycero-3-phosphate,STTKJLVEXMKLNA-CQSZACIVSA-N
HMDB62320,432.227690529,C21H37O7P,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@@]([H])(O)COP(O)(O)=O,"InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)/b4-3-,7-6-,10-9-/t20-/m1/s1",DVNZKWQUAXJYGB,LVTNFWOSSA,N,"1-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphate",DVNZKWQUAXJYGB-LVTNFWOSSA-N
HMDB62321,382.212039986,C17H35O7P,CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O,"InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1",FAZBDRGXCKPVJU,MRXNPFEDSA,N,1-tetradecanoyl-sn-glycero-3-phosphate,FAZBDRGXCKPVJU-MRXNPFEDSA-N
HMDB62322,452.290290787,C22H45O7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COP(O)(O)=O,"InChI=1S/C22H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)28-19-21(23)20-29-30(25,26)27/h21,23H,2-20H2,1H3,(H2,25,26,27)/t21-/m1/s1",YAERNOYIELLICR,OAQYLSRUSA,N,1-nonadecanoyl-glycero-3-phosphate,YAERNOYIELLICR-OAQYLSRUSA-N
HMDB62323,408.22769005,C19H37O7P,CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O,"InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h7-8,18,20H,2-6,9-17H2,1H3,(H2,22,23,24)/b8-7-/t18-/m1/s1",GLGQZYWTNAOWHT,JTHGQSKGSA,N,1-(9Z-hexadecenoyl)-glycero-3-phosphate,GLGQZYWTNAOWHT-JTHGQSKGSA-N
HMDB62324,396.227690529,C18H37O7P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COP(O)(O)=O,"InChI=1S/C18H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(20)24-15-17(19)16-25-26(21,22)23/h17,19H,2-16H2,1H3,(H2,21,22,23)/t17-/m1/s1",RZDCKQARKXMIQI,QGZVFWFLSA,N,1-pentadecanoyl-glycero-3-phosphate,RZDCKQARKXMIQI-QGZVFWFLSA-N
HMDB62325,396.264076038,C19H41O6P,[H][C@@](O)(COCCCCCCCCCCCCCCCC)COP(O)(O)=O,"InChI=1S/C19H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h19-20H,2-18H2,1H3,(H2,21,22,23)/t19-/m1/s1",XLVRFPVHQPHXAA,LJQANCHMSA,N,1-hexadecyl-glycero-3-phosphate,XLVRFPVHQPHXAA-LJQANCHMSA-N
HMDB62326,74.073164942,C4H10O,CCOCC,"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",RTZKZFJDLAIYFH,UHFFFAOYSA,N,"1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2E)-enyl ether",RTZKZFJDLAIYFH-UHFFFAOYSA-N
HMDB62327,544.952607189,C11H16O19P3,[H][C@@](COC=O)(COP([O-])(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@@]1([H])O)OC=O,"InChI=1S/C11H21O19P3/c12-3-25-1-5(26-4-13)2-27-33(23,24)30-9-6(14)7(15)10(28-31(17,18)19)11(8(9)16)29-32(20,21)22/h3-11,14-16H,1-2H2,(H,23,24)(H2,17,18,19)(H2,20,21,22)/p-5/t5-,6-,7-,8+,9+,10+,11+/m1/s1",JACRVMAFUDKXJP,ZTBJAHKGSA,I,"1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate",JACRVMAFUDKXJP-ZTBJAHKGSA-I
HMDB62328,402.349780721,C27H46O2,[H]C(C)(CO)CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",FYHRJWMENCALJY,CCDZVGGQSA,N,26-hydroxycholesterol,FYHRJWMENCALJY-CCDZVGGQSA-N
HMDB62329,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,2-Acyl-1-alkyl-sn-glycero-3-phosphate,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62330,389.29299412,C24H39NO3,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(O)=NCCCC(O)=O,"InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15?",JKUDIEXTAYKJNX,CDIMZWLNSA,N,N-Arachidonoyl GABA,JKUDIEXTAYKJNX-CDIMZWLNSA-N
HMDB62331,467.303558804,C29H41NO4,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C29H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)30-27(29(33)34)24-25-20-22-26(31)23-21-25/h6-7,9-10,12-13,15-16,20-23,27,31H,2-5,8,11,14,17-19,24H2,1H3,(H,30,32)(H,33,34)/b7-6-,10-9-,13-12?,16-15-/t27-/m0/s1",QUMCPEFSPGOHMM,CGFYPUQWSA,N,N-Arachidonoyl tyrosine,QUMCPEFSPGOHMM-CGFYPUQWSA-N
HMDB62332,413.29299412,C26H39NO3,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCC(O)=NCCCC(O)=O,"InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)27-24-21-23-26(29)30/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-24H2,1H3,(H,27,28)(H,29,30)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18?",HZMSBMNSIHSLPJ,ZPWIVGABSA,N,N-Docosahexaenoyl GABA,HZMSBMNSIHSLPJ-ZPWIVGABSA-N
HMDB62333,475.308644184,C31H41NO3,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C31H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(33)32-29(31(34)35)27-28-24-21-20-22-25-28/h3-4,6-7,9-10,12-13,15-16,18-22,24-25,29H,2,5,8,11,14,17,23,26-27H2,1H3,(H,32,33)(H,34,35)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t29-/m0/s1",FUOZUQXXOVQAMJ,ZANAJQNJSA,N,N-Docosahexaenoyl phenylalanine,FUOZUQXXOVQAMJ-ZANAJQNJSA-N
HMDB62334,365.29299412,C22H39NO3,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(O)=NCCCC(O)=O,"InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22(25)26/h6-7,9-10H,2-5,8,11-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-",YGFYZZQGVSUXJE,HZJYTTRNSA,N,N-Linoleoyl GABA,YGFYZZQGVSUXJE-HZJYTTRNSA-N
HMDB62335,367.308644184,C22H41NO3,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=NCCCC(O)=O,"InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22(25)26/h9-10H,2-8,11-20H2,1H3,(H,23,24)(H,25,26)/b10-9-",NFYDTZXYPVTQHJ,KTKRTIGZSA,N,N-Oleoyl GABA,NFYDTZXYPVTQHJ-KTKRTIGZSA-N
HMDB62336,429.324294249,C27H43NO3,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C27H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-25(27(30)31)23-24-20-17-16-18-21-24/h9-10,16-18,20-21,25H,2-8,11-15,19,22-23H2,1H3,(H,28,29)(H,30,31)/b10-9-/t25-/m0/s1",UWKNPULCJWBBDD,JRUKXMRZSA,N,N-Oleoyl phenylalanine,UWKNPULCJWBBDD-JRUKXMRZSA-N
HMDB62337,445.319208869,C27H43NO4,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C27H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h9-10,18-21,25,29H,2-8,11-17,22H2,1H3,(H,28,30)(H,31,32)/b10-9-/t25-/m0/s1",UOIBFJBJAWHQNM,JRUKXMRZSA,N,N-Oleoyl tyrosine,UOIBFJBJAWHQNM-JRUKXMRZSA-N
HMDB62338,341.29299412,C20H39NO3,CCCCCCCCCCCCCCCC(O)=NCCCC(O)=O,"InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-18-15-17-20(23)24/h2-18H2,1H3,(H,21,22)(H,23,24)",YLKMEQOADSECIK,UHFFFAOYSA,N,N-Palmitoyl GABA,YLKMEQOADSECIK-UHFFFAOYSA-N
HMDB62339,403.308644184,C25H41NO3,[H][C@@](CC1=CC=CC=C1)(N=C(O)CCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(27)26-23(25(28)29)21-22-18-15-14-16-19-22/h14-16,18-19,23H,2-13,17,20-21H2,1H3,(H,26,27)(H,28,29)/t23-/m0/s1",BAHIJPSQSKWCJX,QHCPKHFHSA,N,N-Palmitoyl phenylalanine,BAHIJPSQSKWCJX-QHCPKHFHSA-N
HMDB62340,419.303558804,C25H41NO4,[H][C@@](CC1=CC=C(O)C=C1)(N=C(O)CCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C25H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)26-23(25(29)30)20-21-16-18-22(27)19-17-21/h16-19,23,27H,2-15,20H2,1H3,(H,26,28)(H,29,30)/t23-/m0/s1",IPAZGTSTZYXZAT,QHCPKHFHSA,N,N-Palmitoyl tyrosine,IPAZGTSTZYXZAT-QHCPKHFHSA-N
HMDB62341,369.324294249,C22H43NO3,CCCCCCCCCCCCCCCCCC(O)=NCCCC(O)=O,"InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22(25)26/h2-20H2,1H3,(H,23,24)(H,25,26)",CCGXSETVBNBVKJ,UHFFFAOYSA,N,N-Stearoyl GABA,CCGXSETVBNBVKJ-UHFFFAOYSA-N
HMDB62342,431.339944313,C27H45NO3,[H][C@@](CC1=CC=CC=C1)(N=C(O)CCCCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-25(27(30)31)23-24-20-17-16-18-21-24/h16-18,20-21,25H,2-15,19,22-23H2,1H3,(H,28,29)(H,30,31)/t25-/m0/s1",PHZQULSGYVCYNC,VWLOTQADSA,N,N-Stearoyl phenylalanine,PHZQULSGYVCYNC-VWLOTQADSA-N
HMDB62343,447.334858933,C27H45NO4,[H][C@@](CC1=CC=C(O)C=C1)(N=C(O)CCCCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h18-21,25,29H,2-17,22H2,1H3,(H,28,30)(H,31,32)/t25-/m0/s1",YKWCFTGLODSOSB,VWLOTQADSA,N,N-Stearoyl tyrosine,YKWCFTGLODSOSB-VWLOTQADSA-N
HMDB62344,917.219673435,C31H50N7O17P3S,CCCCC\C([H])=C(\[H])/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8-,11-10+/t20-,24-,25-,26+,30-/m1/s1",FASAKYLWSRDQOH,IMVFQKDNSA,N,2-trans-4-cis-decadienoyl-CoA,FASAKYLWSRDQOH-IMVFQKDNSA-N
HMDB62345,636.105717532,C28H24ClF3N4O6S,CC1=CC=C(C=C1)S(O)(=O)=O.CNC(=O)C1=NC=CC(OC2=CC=C(NC(O)=NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1,"InChI=1S/C21H16ClF3N4O3.C7H8O3S/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)",IVDHYUQIDRJSTI,UHFFFAOYSA,N,"3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoate",IVDHYUQIDRJSTI-UHFFFAOYSA-N
HMDB62346,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,3(S)-hydroxy-3-oxo-eicosadienoyl-CoA,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62347,149.029920403,C8H7NS,N1C=CSC2=CC=CC=C12,"InChI=1S/C8H7NS/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6,9H",ZLILRRGWBOKBIG,UHFFFAOYSA,N,"3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine",ZLILRRGWBOKBIG-UHFFFAOYSA-N
HMDB62348,166.062994182,C9H10O3,COC1=CC(C=O)=CC(OC)=C1,"InChI=1S/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3",VFZRZRDOXPRTSC,UHFFFAOYSA,N,"3',5'-diiodo-L-thyronine",VFZRZRDOXPRTSC-UHFFFAOYSA-N
HMDB62349,150.068079562,C9H10O2,OC1CCOC2=CC=CC=C12,"InChI=1S/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2",MGSHXMOLUWTMGP,UHFFFAOYSA,N,3'-carboxy-alpha-chromanol,MGSHXMOLUWTMGP-UHFFFAOYSA-N
HMDB62350,850.683911378,C58H90O4,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(O)=C(O)C(OC)=C1O)=C(\C)CCC=C(C)C,"InChI=1S/C58H90O4/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)55(59)57(61)58(62-13)56(54)60/h23,25,27,29,31,33,35,37,39,41,59-61H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+",VLMQNHNMQVLPQI,AVRCVIBKSA,N,3-demethylubiquinol-10,VLMQNHNMQVLPQI-AVRCVIBKSA-N
HMDB62351,1157.467185316,C47H82N7O18P3S,[H]C(O)(CCCCCCCCCCCCCCCCCCCCCCC)CC(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t35?,36-,40-,41-,42+,46-/m1/s1",GBMJOTOUUWGTIA,HSPCTEKSSA,J,3-Hydroxyhexacosanoyl-CoA,GBMJOTOUUWGTIA-HSPCTEKSSA-J
HMDB62352,911.157469013,C27H44N7O20P3S,[H]C(O)(CCC(O)=O)CC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14?,15-,20-,21-,22+,26-/m1/s1",OTEACGAEDCIMBS,FOLKQPSDSA,N,3-Hydroxypentanoyl-CoA,OTEACGAEDCIMBS-FOLKQPSDSA-N
HMDB62353,1063.386740674,C40H72N7O18P3S,[H]C(C)(CCCC(C)C)CCCC([H])(C)CCC([H])(O)C([H])(C)C(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C40H72N7O18P3S/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-28(48)27(5)39(53)69-19-18-42-30(49)16-17-43-37(52)34(51)40(6,7)21-62-68(59,60)65-67(57,58)61-20-29-33(64-66(54,55)56)32(50)38(63-29)47-23-46-31-35(41)44-22-45-36(31)47/h22-29,32-34,38,48,50-51H,8-21H2,1-7H3,(H,42,49)(H,43,52)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/t25?,26?,27?,28?,29-,32-,33-,34+,38-/m1/s1",OQWHTSXXBMVROE,VDRJVRINSA,N,3-hydroxypristanoyl-CoA,OQWHTSXXBMVROE-VDRJVRINSA-N
HMDB62354,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,"3-keto-eicosa-8,11,14,17-all-cis-tetraenoyl-CoA",ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62355,847.660984861,C58H87O4,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=CC(=CC(OC)=C1[O-])C(O)=O)=C(\C)CCC=C(C)C,"InChI=1S/C58H88O4/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58(60)61)43-56(62-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43,59H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3,(H,60,61)/p-1/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+",WCQCNOIKXGNDLX,RDSVHMIISA,M,3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate,WCQCNOIKXGNDLX-RDSVHMIISA-M
HMDB62356,273.100107967,C15H15NO4,NC(CC1=CC=C(OC2=CC=C(O)C=C2)C=C1)C(O)=O,"InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)",KKCIOUWDFWQUBT,UHFFFAOYSA,N,3'-monoiodo-L-thyronine,KKCIOUWDFWQUBT-UHFFFAOYSA-N
HMDB62357,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,"3-oxo-10(R)-hydroxy-octadeca-6E,8E,12Z-trienoate",ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62358,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,"3-oxo-10(R)-hydroxy-octadeca-6E,8E,12Z-trienoyl-CoA",ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62359,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,"3-oxo-10(S)-hydroxy-octadeca-6E,8E,12Z-trienoate",ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62360,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,"3-oxo-10(S)-hydroxy-octadeca-6E,8E,12Z-trienoyl-CoA",ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62361,1041.310684672,C39H62N7O18P3S,[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h9-10,25-26,28,32-34,38,50-51H,4-8,11-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b10-9-/t28-,32-,33-,34+,38-/m1/s1",OUROWZUTGFHRJE,SAIINBSPSA,J,3-oxo-11-cis-octadecenoyl-CoA,OUROWZUTGFHRJE-SAIINBSPSA-J
HMDB62362,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,"3-oxo-5(S),12(R)-dihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA",ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62363,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,3-oxo-6(R)-hydroxy-tetradec-8-cis-enoate,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62364,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,3-oxo-6(S)-hydroxy-tetradec-8Z-enoate,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62365,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,"3-oxo-8(R)-hydroxy-hexadeca-6E,10Z-dienoate",ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62366,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,"3-oxo-8(S)-hydroxy-hexadeca-6E,10Z-dienoate",ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62367,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,"3-oxo-docosa-13,16,19-all-cis-trienoyl-CoA",ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62368,963.261540159,C33H56N7O18P3S,[H][C@](O)(C(O)=NCCC(O)=NCCSC(=O)CC(=O)CCCCCCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@@]1([H])OP(O)(O)=O,"InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t22-,26?,27+,28+,32-/m1/s1",HQANBZHVWIDNQZ,CQGYPEFWSA,N,3-oxo-dodecanoyl-CoA,HQANBZHVWIDNQZ-CQGYPEFWSA-N
HMDB62369,1075.386740674,C41H72N7O18P3S,[H][C@](O)(C(O)=NCCC(O)=NCCSC(=O)CC(=O)CCCCCCCCCCCCCCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t30-,34?,35?,36+,40-/m1/s1",FYBVHNZJDVUVLJ,QJFNQLKMSA,N,3-Oxoeicosanoyl-CoA,FYBVHNZJDVUVLJ-QJFNQLKMSA-N
HMDB62370,933.214589966,C31H50N7O18P3S,CC(=O)CC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(C)=C,"InChI=1S/C31H50N7O18P3S/c1-17(2)19(7-6-18(3)39)12-22(41)60-11-10-33-21(40)8-9-34-29(44)26(43)31(4,5)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,19-20,24-26,30,42-43H,1,6-14H2,2-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24+,25+,26-,30+/m0/s1",VMTHAXKUEKKCEY,PNPVFPMQSA,N,3-Oxoheptanoyl-CoA,VMTHAXKUEKKCEY-PNPVFPMQSA-N
HMDB62371,1155.451535252,C47H80N7O18P3S,[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)CC(=O)CCCCCCCCCCCCCCCCCCCCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C47H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-34,36,40-42,46,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t36-,40-,41-,42+,46-/m1/s1",VOMUIFOBQMYJPJ,CPIGOPAHSA,J,3-Oxohexacosanoyl-CoA,VOMUIFOBQMYJPJ-CPIGOPAHSA-J
HMDB62372,879.167639773,C27H44N7O18P3S,[H][C@](O)(C(O)=NCCC(O)=NCCSC(=O)CC(=O)CCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@@]1([H])OP(O)(O)=O,"InChI=1S/C27H44N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-14,16,20-22,26,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t16-,20?,21+,22+,26-/m1/s1",NFOYYXQAVVYWKV,VIIGDLKUSA,N,3-oxo-hexanoyl-CoA,NFOYYXQAVVYWKV-VIIGDLKUSA-N
HMDB62373,1019.324140417,C37H64N7O18P3S,[H][C@](O)(C(O)=NCCC(O)=NCCSC(=O)CC(=O)CCCCCCCCCCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@@]1([H])OP(O)(O)=O,"InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30?,31+,32+,36-/m1/s1",NQMPLXPCRJOSHL,SYYORBFYSA,N,3-oxo-octanoyl-CoA,NQMPLXPCRJOSHL-SYYORBFYSA-N
HMDB62374,371.12163126,C16H21NO9,[H][C@]1(CO)O[C@@]([H])(OC2=CC=CC(C(=O)CCC(O)=O)=C2N)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C16H21NO9/c17-12-7(8(19)4-5-11(20)21)2-1-3-9(12)25-16-15(24)14(23)13(22)10(6-18)26-16/h1-3,10,13-16,18,22-24H,4-6,17H2,(H,20,21)/t10-,13-,14+,15-,16-/m1/s1",XEXCWFKGYJFAQK,LMXXTMHSSA,N,4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside,XEXCWFKGYJFAQK-LMXXTMHSSA-N
HMDB62375,223.095691291,C10H13N3O3,CN(CCCC(=O)C1=CN(=O)=CC=C1)N=O,"InChI=1S/C10H13N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8H,3,5-6H2,1H3",KRRWRVSPMYAJPF,UHFFFAOYSA,N,4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone,KRRWRVSPMYAJPF-UHFFFAOYSA-N
HMDB62376,193.085126606,C9H11N3O2,ON=NCCCC(=O)C1=CN=CC=C1,"InChI=1S/C9H11N3O2/c13-9(4-2-6-11-12-14)8-3-1-5-10-7-8/h1,3,5,7H,2,4,6H2,(H,11,14)",NCSVUFYZLCBFKE,UHFFFAOYSA,N,4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone,NCSVUFYZLCBFKE-UHFFFAOYSA-N
HMDB62377,174.052823422,C7H10O5,COC(=O)CC(=O)CC(=O)OC,"InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3",RNJOKCPFLQMDEC,UHFFFAOYSA,N,"4(R),8-dimethyl-trans-2-nonenoyl-CoA",RNJOKCPFLQMDEC-UHFFFAOYSA-N
HMDB62378,440.365430786,C30H48O2,[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)C(C)(C)[C@]1([H])CC3,"InChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1",PGGIMLIQOHYFIS,PUXRVUTHSA,N,"4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol",PGGIMLIQOHYFIS-PUXRVUTHSA-N
HMDB62379,442.38108085,C30H50O2,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)C(C)(C)[C@]1([H])CC3,"InChI=1S/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h19-22,25-26,32H,8-18H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1",MKMLAQLNFVFNRK,PUXRVUTHSA,N,"4,4-dimethyl-14alpha-formyl-5alpha-cholest-8-en-3beta-ol",MKMLAQLNFVFNRK-PUXRVUTHSA-N
HMDB62380,444.396730914,C30H52O2,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2(CO)C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)C(C)(C)[C@]1([H])CC3,"InChI=1S/C30H52O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h20-22,25-26,31-32H,8-19H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1",SJPDNXKPBQHPMZ,PUXRVUTHSA,N,"4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol",SJPDNXKPBQHPMZ-PUXRVUTHSA-N
HMDB62381,412.370516166,C29H48O,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)C(C)(C)[C@]1([H])CC3,"InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h13,19-20,22,25-26,30H,8-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1",OGQJUYXFIOFTMA,PBJLWWPKSA,N,"4,4-dimethyl-5alpha-cholesta-8,14-dien-3beta-ol",OGQJUYXFIOFTMA-PBJLWWPKSA-N
HMDB62382,223.095691291,C10H13N3O3,OCN(CCCC(=O)C1=CN=CC=C1)N=O,"InChI=1S/C10H13N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,14H,2,4,6,8H2",DADWKWOJOMSGPK,UHFFFAOYSA,N,4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone,DADWKWOJOMSGPK-UHFFFAOYSA-N
HMDB62383,442.344695338,C29H46O3,[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(O)=O)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,"InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1",MYWAIWDQTCHPTH,LJAIZBFVSA,N,"4α-carboxy-4β-methyl-5α-cholesta-8,24-dien-3β-ol",MYWAIWDQTCHPTH-LJAIZBFVSA-N
HMDB62384,444.360345406,C29H48O3,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)[C@@](C)(C(O)=O)[C@]1([H])CC3,"InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h18-19,21-22,24-25,30H,7-17H2,1-6H3,(H,31,32)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1",GLCDBDRQLZKKOJ,LJAIZBFVSA,N,4α-carboxy-4β-methyl-5α-cholesta-8-en-3β-ol,GLCDBDRQLZKKOJ-LJAIZBFVSA-N
HMDB62385,428.329045277,C28H44O3,[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CCC2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)[C@@]([H])(C(O)=O)[C@]1([H])CC3,"InChI=1S/C28H44O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,18,20-21,23-25,29H,6,8-16H2,1-5H3,(H,30,31)/t18-,20-,21?,23+,24+,25+,27-,28-/m1/s1",JHIWIFRQJXLNEU,CEDIQTLQSA,N,"4α-carboxy-5α-cholesta-8,24-dien-3β-ol",JHIWIFRQJXLNEU-CEDIQTLQSA-N
HMDB62386,430.344695341,C28H46O3,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)[C@@]([H])(C(O)=O)[C@]1([H])CC3,"InChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-18,20-21,23-25,29H,6-16H2,1-5H3,(H,30,31)/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1",RODBXVVNKJCWQR,GSQAGGHASA,N,4α-carboxy-5α-cholesta-8-en-3β-ol,RODBXVVNKJCWQR-GSQAGGHASA-N
HMDB62387,426.349780721,C29H46O2,[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)[C@@](C)(C=O)[C@]1([H])CC3,"InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,18,20,22-23,25-26,31H,7,9-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1",GFGANDKVOKQAGH,WKYRUEGDSA,N,"4α-formyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol",GFGANDKVOKQAGH-WKYRUEGDSA-N
HMDB62388,428.365430786,C29H48O2,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)[C@@](C)(C=O)[C@]1([H])CC3,"InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h18-20,22-23,25-26,31H,7-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1",WWTBBRMTEFBUND,WKYRUEGDSA,N,4α-formyl-4β-methyl-5α-cholesta-8-en-3β-ol,WWTBBRMTEFBUND-WKYRUEGDSA-N
HMDB62389,412.334130657,C28H44O2,[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)[C@@]([H])(C=O)[C@]1([H])CC3,"InChI=1S/C28H44O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,17,19,21-24,26,30H,6,8-16H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-,28+/m1/s1",ZLQSSFNCEUGGJF,NUESBDPTSA,N,"4α-formyl-5α-cholesta-8,24-dien-3β-ol",ZLQSSFNCEUGGJF-NUESBDPTSA-N
HMDB62390,428.365430786,C29H48O2,[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)[C@@](C)(CO)[C@]1([H])CC3,"InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,20,22-23,25-26,30-31H,7,9-18H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1",LEUVIESGHNFBEK,WKYRUEGDSA,N,"4α-hydroxymethyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol",LEUVIESGHNFBEK-WKYRUEGDSA-N
HMDB62391,430.38108085,C29H50O2,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)[C@@](C)(CO)[C@]1([H])CC3,"InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h19-20,22-23,25-26,30-31H,7-18H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1",UVSRXDFMOZKKGE,WKYRUEGDSA,N,4α-hydroxymethyl-4β-methyl-5α-cholesta-8-en-3β-ol,UVSRXDFMOZKKGE-WKYRUEGDSA-N
HMDB62392,414.349780721,C28H46O2,[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)[C@@]([H])(CO)[C@]1([H])CC3,"InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-,28+/m1/s1",ORZKEIGPXNMCHC,NUESBDPTSA,N,"4α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol",ORZKEIGPXNMCHC-NUESBDPTSA-N
HMDB62393,398.354866101,C28H46O,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@]([H])(C)[C@]1([H])CC3,"InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24H,7-17H2,1-6H3/t19-,20+,22-,23+,24+,27-,28+/m1/s1",SDZUXFFGOQZLPK,SINUOACOSA,N,4α-methyl-5α-cholesta-8-en-3-one,SDZUXFFGOQZLPK-SINUOACOSA-N
HMDB62394,400.370516166,C28H48O,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)[C@@]([H])(C)[C@]1([H])CC3,"InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1",SCEZIHJVTBQOLS,YIJYGBTNSA,N,4α-methyl-cholesta-8-enol,SCEZIHJVTBQOLS-YIJYGBTNSA-N
HMDB62395,185.931642,C6H3BrO2,BrC1=CC(=O)C(=O)C=C1,InChI=1S/C6H3BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3H,LTHKZYVCVXHKLZ,UHFFFAOYSA,N,"4-Bromo-3,5-cyclohexadiene-1,2-dione",LTHKZYVCVXHKLZ-UHFFFAOYSA-N
HMDB62396,187.947292,C6H5BrO2,OC1=C(O)C=C(Br)C=C1,"InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H",AQVKHRQMAUJBBP,UHFFFAOYSA,N,4-Bromocatechol,AQVKHRQMAUJBBP-UHFFFAOYSA-N
HMDB62397,171.952377429,C6H5BrO,OC1=CC=C(Br)C=C1,"InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H",GZFGOTFRPZRKDS,UHFFFAOYSA,N,4-Bromophenol,GZFGOTFRPZRKDS-UHFFFAOYSA-N
HMDB62398,187.947292,C6H5BrO2,OC1=CC=C(Br)C2OC12,"InChI=1S/C6H5BrO2/c7-3-1-2-4(8)6-5(3)9-6/h1-2,5-6,8H",NIXDKVLCYSTGRG,UHFFFAOYSA,N,"4-Bromophenol-2,3-epoxide",NIXDKVLCYSTGRG-UHFFFAOYSA-N
HMDB62399,432.323959897,C27H44O4,[H]C(O)(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C)C(C)C,"InChI=1S/C27H44O4/c1-15(2)22(29)9-6-16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h12,15-16,19-25,29-31H,6-11,13-14H2,1-5H3/t16-,19-,20+,21+,22?,23-,24+,25+,26+,27-/m1/s1",JZKUXZQOULZTIJ,GZQVFMGISA,N,"4-cholesten-7α,12α,24-triol-3-one",JZKUXZQOULZTIJ-GZQVFMGISA-N
HMDB62400,432.323959897,C27H44O4,[H]C(C)(CO)CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C,"InChI=1S/C27H44O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h12,16-17,20-25,28,30-31H,5-11,13-15H2,1-4H3/t16?,17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",WOODKECARRKLJJ,DIJRFRLPSA,N,"7alpha,12alpha,26-trihydroxycholest-4-en-3-one",WOODKECARRKLJJ-DIJRFRLPSA-N
HMDB62401,416.329045277,C27H44O3,[H]C(O)(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C,"InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1",LFFHZNXDGBQZCO,XGEBBOSUSA,N,"7alpha,24-dihydroxycholest-4-en-3-one",LFFHZNXDGBQZCO-XGEBBOSUSA-N
HMDB62402,165.078978601,C9H11NO2,OCCCC(=O)C1=CN=CC=C1,"InChI=1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2",KTXUGZHJVRHQGP,UHFFFAOYSA,N,4-Hydroxy-1-(3-pyridinyl)-1-butanone,KTXUGZHJVRHQGP-UHFFFAOYSA-N
HMDB62403,196.025145877,C8H6NO5,OC(=O)CC1=CC(=C([O-])C=C1)N(=O)=O,"InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)/p-1",QBHBHOSRLDPIHG,UHFFFAOYSA,M,4-hydroxy-3-nitrophenylacetate,QBHBHOSRLDPIHG-UHFFFAOYSA-M
HMDB62404,223.095691291,C10H13N3O3,CN(N=O)C(O)CCC(=O)C1=CN=CC=C1,"InChI=1S/C10H13N3O3/c1-13(12-16)10(15)5-4-9(14)8-3-2-6-11-7-8/h2-3,6-7,10,15H,4-5H2,1H3",UIPLZNGNFRQXQE,UHFFFAOYSA,N,4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone,UIPLZNGNFRQXQE-UHFFFAOYSA-N
HMDB62405,128.0141259,C5H5ClN2,NC1=CN=C(Cl)C=C1,"InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2",QAJYCQZQLVENRZ,UHFFFAOYSA,N,4-N-(N-Acetyl-D-glucosaminyl)-protein,QAJYCQZQLVENRZ-UHFFFAOYSA-N
HMDB62406,163.063328534,C9H9NO2,O=CCCC(=O)C1=CN=CC=C1,"InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2",CFONOJVUTZAMCB,UHFFFAOYSA,N,4-Oxo-1-(3-pyridyl)-1-butanone,CFONOJVUTZAMCB-UHFFFAOYSA-N
HMDB62407,165.078978598,C9H11NO2,OC1CCC(O1)C1=CN=CC=C1,"InChI=1S/C9H11NO2/c11-9-4-3-8(12-9)7-2-1-5-10-6-7/h1-2,5-6,8-9,11H,3-4H2",LHGVLZHIYVKZBT,UHFFFAOYSA,N,5-(3-Pyridyl)-2-hydroxytetrahydrofuran,LHGVLZHIYVKZBT-UHFFFAOYSA-N
HMDB62408,318.219494826,C20H30O3,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(O)CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1",FTAGQROYQYQRHF,GHWNLOBHSA,N,"5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid",FTAGQROYQYQRHF-GHWNLOBHSA-N
HMDB62409,336.23005951,C20H32O4,[H]\C(CCCCC)=C(\[H])CC(O)C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C(O)CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6+,14-10+,15-11+",VNYSSYRCGWBHLG,XUOUMLBJSA,N,"5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid",VNYSSYRCGWBHLG-XUOUMLBJSA-N
HMDB62410,332.198759382,C20H28O4,[H]\C(C\C([H])=C(\[H])/C(/[H])=C(\[H])[C@]([H])(O)CC)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C1([H])OC1([H])CCCC(O)=O,"InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3+,8-6-,9-7+,13-10+,14-11+/t17-,18?,19?/m1/s1",ZPAJZAMPZXISSE,LZXXFFAVSA,N,"5,6-epoxy,18R-HEPE",ZPAJZAMPZXISSE-LZXXFFAVSA-N
HMDB62411,129.0093748,C4H4ClN3,ClC1=NNC(=N)C=C1,"InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)",DTXVKPOKPFWSFF,UHFFFAOYSA,N,"5,6-epoxy-13-cis-retinoate",DTXVKPOKPFWSFF-UHFFFAOYSA-N
HMDB62412,129.0093748,C4H4ClN3,ClC1=NNC(=N)C=C1,"InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)",DTXVKPOKPFWSFF,UHFFFAOYSA,N,"5,8-epoxy-13-cis-retinoate",DTXVKPOKPFWSFF-UHFFFAOYSA-N
HMDB62413,539.251917155,C30H37NO8,[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@]([H])(C)[C@@]([H])(OC(=O)C3=CC=CC=C3NC)[C@@]1(OC(C)=O)C2(C)C,"InChI=1S/C30H37NO8/c1-15-11-22-28(36,24(15)34)13-18(14-32)12-20-23-27(4,5)30(23,39-17(3)33)25(16(2)29(20,22)37)38-26(35)19-9-7-8-10-21(19)31-6/h7-12,16,20,22-23,25,31-32,36-37H,13-14H2,1-6H3/t16-,20+,22-,23-,25-,28-,29-,30-/m1/s1",UPAIGGMQTARRMN,CSSCWBSHSA,N,"5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate",UPAIGGMQTARRMN-CSSCWBSHSA-N
HMDB62414,384.339216037,C27H44O,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C[C@]1([H])CC3,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,23-24H,6-17H2,1-5H3/t19-,20+,23-,24+,26+,27-/m1/s1",RZSXSHNNQBIPTL,ZSBATXSLSA,N,5alpha-cholest-8-en-3-one,RZSXSHNNQBIPTL-ZSBATXSLSA-N
HMDB62415,286.193280077,C19H26O2,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(=O)CC[C@]12C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",SQGZFRITSMYKRH,QAGGRKNESA,N,"androst-5-ene-3,17-dione",SQGZFRITSMYKRH-QAGGRKNESA-N
HMDB62416,452.350174646,C27H48O5,[H]C(C)(CO)[C@@]([H])(O)CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C,"InChI=1S/C27H48O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15-,16?,17+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1",CPKBPCHJXMSTOE,CJKJGBPISA,N,"5beta-cholestan-3alpha,7alpha,12alpha,24(S),27-pentol",CPKBPCHJXMSTOE-CJKJGBPISA-N
HMDB62417,436.355260026,C27H48O4,[H]C(C)(CO)C([H])(O)CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C27H48O4/c1-16(5-8-23(30)17(2)15-28)20-6-7-21-25-22(10-12-27(20,21)4)26(3)11-9-19(29)13-18(26)14-24(25)31/h16-25,28-31H,5-15H2,1-4H3/t16-,17?,18+,19-,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1",KOHAQNVGTABZFS,ZUMVMERMSA,N,"5beta-Cholestane-3alpha,7alpha,24,26-tetrol",KOHAQNVGTABZFS-ZUMVMERMSA-N
HMDB62418,420.360345406,C27H48O3,[H]C(O)(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C,"InChI=1S/C27H48O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1",VDKSIHRRZLCAGD,RESWAWEDSA,N,"5beta-Cholestane-3alpha,7alpha,24-triol",VDKSIHRRZLCAGD-RESWAWEDSA-N
HMDB62419,418.344695341,C27H46O3,[H]C(O)(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C,"InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1",FGKQZAUZOBFLBY,YUOMIZQASA,N,"7alpha,24-dihydroxy-5beta-cholestan-3-one",FGKQZAUZOBFLBY-YUOMIZQASA-N
HMDB62420,418.344695341,C27H46O3,[H]C(C)(CO)CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-19,21-25,28,30H,5-16H2,1-4H3/t17?,18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1",HXGWUGDCIVSGLK,QOXJXTBWSA,N,"7alpha,26-dihydroxy-5beta-cholestan-3-one",HXGWUGDCIVSGLK-QOXJXTBWSA-N
HMDB62421,452.350174646,C27H48O5,[H]C(O)(C[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C)CC(C)(C)O,"InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18?,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1",OXSBBBPDYVCAKC,JZXYSUIZSA,N,"5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol",OXSBBBPDYVCAKC-JZXYSUIZSA-N
HMDB62422,503.15052005,C20H23N7Na2O6,[Na+].[Na+].CN1C(CNC2=CC=C(C=C2)C(=O)NC(CCC([O-])=O)C(O)=O)CNC2=C1C([O-])=NC(=N)N2,"InChI=1S/C20H25N7O6.2Na/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);;/q;2*+1/p-2",KKIWVYLOTHCGRV,UHFFFAOYSA,L,5-Methyl-THF,KKIWVYLOTHCGRV-UHFFFAOYSA-L
HMDB62423,334.214409446,C20H30O4,[H]\C(CCCCC)=C(/[H])C[C@]([H])(O)C([H])=C([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])C(=O)CCCC(O)=O,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10?,15-11+/t18-/m0/s1",MLZJFLKEKVDNAZ,DJEFXLHGSA,N,5-oxo-12-HETE,MLZJFLKEKVDNAZ-DJEFXLHGSA-N
HMDB62424,336.024936684,C9H11N3O9P,[H][C@]1(COP([O-])([O-])=O)O[C@@]([H])(N2C=NC(C([O-])=O)=C2N)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/p-3/t3-,5-,6-,8-/m1/s1",XFVULMDJZXYMSG,ZIYNGMLESA,K,5-Phosphoribosyl-4-carboxy-5-aminoimidazole,XFVULMDJZXYMSG-ZIYNGMLESA-K
HMDB62425,502.136964227,C19H26N4O10S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSC1=CC(C[C@]([H])(N)C(O)=O)=CC(O)=C1O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23-11(17(29)22-6-15(26)27)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)(H,32,33)/t9-,10-,11-/m0/s1",QPUCCRKMCAEIND,DCAQKATOSA,N,5-S-glutathionyl-L-DOPA,QPUCCRKMCAEIND-DCAQKATOSA-N
HMDB62426,975.297925668,C35H60N7O17P3S,[H]\C(CCCCCCCC)=C(/[H])CCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h11-12,22-24,28-30,34,45-46H,4-10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b12-11-/t24-,28-,29-,30+,34-/m1/s1",MRVDZOHJMLTLHJ,STFCKWFXSA,N,5Z-tetradecenoyl-CoA,MRVDZOHJMLTLHJ-STFCKWFXSA-N
HMDB62427,350.10016754,C17H18O8,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C(C(CO)C(O)CO)C(O)=C1,"InChI=1S/C17H18O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,8,11,18-19,21-22H,2-3,5-6H2,1H3",OKGOPKLFGPTQFQ,UHFFFAOYSA,N,"6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione",OKGOPKLFGPTQFQ-UHFFFAOYSA-N
HMDB62428,834.688996758,C58H90O3,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(O)=CC(OC)=C1O)=C(\C)CCC=C(C)C,"InChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+",XCOXSBLQZPFVGK,RGIWONJESA,N,"6-methoxy-3-methyl-2-all-trans-decaprenyl-1,4-benzoquinol",XCOXSBLQZPFVGK-RGIWONJESA-N
HMDB62429,256.125200515,C20H16,CC1=C2C=CC3=CC=CC=C3C2=C(C)C2=CC=CC=C12,"InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3",ARSRBNBHOADGJU,UHFFFAOYSA,N,"7,12-Dimethylbenz[a]anthracene",ARSRBNBHOADGJU-UHFFFAOYSA-N
HMDB62430,123.049158,C5H6BNO2,OB(O)C1=CN=CC=C1,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV,UHFFFAOYSA,N,7alpha-hydroxy-3-oxo-4-cholestenoic acid anion,ABMYEXAYWZJVOV-UHFFFAOYSA-N
HMDB62431,320.23514489,C20H32O3,[H]\C(CCCCC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])C(O)C(\[H])=C(\[H])CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)17-14-12-15-18-20(22)23/h6-7,9-10,13-14,16-17,19,21H,2-5,8,11-12,15,18H2,1H3,(H,22,23)/b7-6-,10-9?,16-13-,17-14-",RXLAEFPIBOZBTL,QVHNZMLNSA,N,7-HETE,RXLAEFPIBOZBTL-QVHNZMLNSA-N
HMDB62432,308.271530399,C20H36O2,[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCC(O)=O,"InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13H,2-8,11,14-19H2,1H3,(H,21,22)/b10-9-,13-12-",XUJWOMMOEOHPFP,UTJQPWESSA,N,"8Z,11Z-eicosadienoic acid",XUJWOMMOEOHPFP-UTJQPWESSA-N
HMDB62433,320.23514489,C20H32O3,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])/C(/[H])=C(\[H])C(O)C\C([H])=C(\[H])CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+",NLUNAYAEIJYXRB,HEJOTXCHSA,N,"8-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid",NLUNAYAEIJYXRB-HEJOTXCHSA-N
HMDB62434,312.23005951,C18H32O4,[H]\C(CCCCC)=C(/[H])\C(\[H])=C(/[H])[C@]([H])(CCCCCCCC(O)=O)OO,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+/t17-/m1/s1",JGUNZIWGNMQSBM,UINYOVNOSA,N,"(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid",JGUNZIWGNMQSBM-UINYOVNOSA-N
HMDB62435,625.460605,C36H70CoO4,[Co++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O,"InChI=1S/2C18H36O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",AMFIJXSMYBKJQV,UHFFFAOYSA,L,"9,10-12,13-diepoxy-octadecanoate",AMFIJXSMYBKJQV-UHFFFAOYSA-L
HMDB62436,310.287180464,C20H38O2,[H]\C(CCCCCCCCCC)=C(/[H])CCCCCCCC(O)=O,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-",LQJBNNIYVWPHFW,QXMHVHEDSA,N,9Z-eicosenoic acid,LQJBNNIYVWPHFW-QXMHVHEDSA-N
HMDB62437,268.24023027,C17H32O2,[H]\C(CCCCCCC)=C(/[H])CCCCCCCC(O)=O,"InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8-",QSBYPNXLFMSGKH,HJWRWDBZSA,N,9Z-heptadecenoic acid,QSBYPNXLFMSGKH-HJWRWDBZSA-N
HMDB62438,268.088815006,C20H12O,OC1=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2C=C1,"InChI=1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H",OBBBXCAFTKLFGZ,UHFFFAOYSA,N,9-Hydroxybenzo[a]pyrene,OBBBXCAFTKLFGZ-UHFFFAOYSA-N
HMDB62439,284.083729626,C20H12O2,OC1=CC2=C3C=CC4=C5C(=CC=C4)C4OC4C(C=C2C=C1)=C35,"InChI=1S/C20H12O2/c21-12-6-4-11-8-16-18-13(15(11)9-12)7-5-10-2-1-3-14(17(10)18)19-20(16)22-19/h1-9,19-21H",QMJJLPWCBGOGAF,UHFFFAOYSA,N,"9-Hydroxybenzo[a]pyrene-4,5-oxide",QMJJLPWCBGOGAF-UHFFFAOYSA-N
HMDB62440,136.073558866,C5H12O4,OCC(CO)(CO)CO,"InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2",WXZMFSXDPGVJKK,UHFFFAOYSA,N,Acyl-CoA-LD-PE-pool,WXZMFSXDPGVJKK-UHFFFAOYSA-N
HMDB62441,179.035811817,C7H5F4N,NC1=C(C=C(F)C=C1)C(F)(F)F,"InChI=1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",LRCQLCWUUBSUOY,UHFFFAOYSA,N,alpha-Tubulin,LRCQLCWUUBSUOY-UHFFFAOYSA-N
HMDB62442,348.084517475,C17H16O8,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C(C(C=O)C(O)CO)C(O)=C1,"InChI=1S/C17H16O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4-5,8,11,19,21-22H,2-3,6H2,1H3",PRZJYJAOZVCBCB,UHFFFAOYSA,N,"alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde",PRZJYJAOZVCBCB-UHFFFAOYSA-N
HMDB62443,195.100776671,C9H13N3O2,ON=NCCCC(O)C1=CN=CC=C1,"InChI=1S/C9H13N3O2/c13-9(4-2-6-11-12-14)8-3-1-5-10-7-8/h1,3,5,7,9,13H,2,4,6H2,(H,11,14)",QCCXEQGBFPINIY,UHFFFAOYSA,N,alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol,QCCXEQGBFPINIY-UHFFFAOYSA-N
HMDB62444,225.111341355,C10H15N3O3,OCN(CCCC(O)C1=CN=CC=C1)N=O,"InChI=1S/C10H15N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,10,14-15H,2,4,6,8H2",UNFLQLWCJOTOPA,UHFFFAOYSA,N,alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol,UNFLQLWCJOTOPA-UHFFFAOYSA-N
HMDB62445,179.035811817,C7H5F4N,NC1=C(C=C(F)C=C1)C(F)(F)F,"InChI=1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",LRCQLCWUUBSUOY,UHFFFAOYSA,N,alpha-CEHC-glucuronide,LRCQLCWUUBSUOY-UHFFFAOYSA-N
HMDB62446,1250.536269706,C53H92N2O27P2,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(\[H])CCC([H])(C)CCOP(O)(=O)OP(O)(=O)O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O)=C(\C)CCC=C(C)C,"InChI=1S/C53H92N2O27P2/c1-27(2)13-9-14-28(3)15-10-16-29(4)17-11-18-30(5)19-12-20-31(6)21-22-73-83(69,70)82-84(71,72)81-51-39(55-33(8)61)43(65)47(37(26-59)77-51)78-50-38(54-32(7)60)42(64)48(36(25-58)76-50)79-53-46(68)49(41(63)35(24-57)75-53)80-52-45(67)44(66)40(62)34(23-56)74-52/h13,15,17,19,31,34-53,56-59,62-68H,9-12,14,16,18,20-26H2,1-8H3,(H,54,60)(H,55,61)(H,69,70)(H,71,72)/b28-15+,29-17+,30-19-/t31?,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47-,48-,49+,50+,51-,52-,53+/m1/s1",LXNPFZYOWOXRQK,SGCJZEHESA,N,alpha-D-Mannosyl-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol,LXNPFZYOWOXRQK-SGCJZEHESA-N
HMDB62447,268.219100896,C20H28,[H]/C(=C(/[H])\C(\C)=C(/[H])\C(\[H])=C1\C(C)=CCCC1(C)C)/C(/[H])=C(\C)C=C,"InChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14-",FWNRILWHNGFAIN,OYUWDNMLSA,N,anhydroretinol,FWNRILWHNGFAIN-OYUWDNMLSA-N
HMDB62448,179.035811817,C7H5F4N,NC1=C(C=C(F)C=C1)C(F)(F)F,"InChI=1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",LRCQLCWUUBSUOY,UHFFFAOYSA,N,N-retinylidene-alpha-phosphatidylethanolamine,LRCQLCWUUBSUOY-UHFFFAOYSA-N
HMDB62449,1541.720941655,C66H115N3O37,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]5([H])O[C@]([H])(CO)[C@@]([H])(O[C@]6([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]6([H])O[C@]6([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]6([H])O)[C@]([H])(O)[C@@]5([H])N=C(C)O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(C)O,"InChI=1S/C66H115N3O37/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(79)31(67-28(3)76)26-93-62-51(90)49(88)56(38(25-75)100-62)102-65-53(92)58(44(83)35(22-72)96-65)105-60-39(68-29(4)77)45(84)54(36(23-73)98-60)101-64-52(91)57(43(82)34(21-71)95-64)104-61-40(69-30(5)78)46(85)55(37(24-74)99-61)103-66-59(48(87)42(81)33(20-70)97-66)106-63-50(89)47(86)41(80)27(2)94-63/h18-19,27,31-66,70-75,79-92H,6-17,20-26H2,1-5H3,(H,67,76)(H,68,77)(H,69,78)/t27-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45+,46+,47+,48-,49+,50-,51+,52+,53+,54+,55+,56+,57-,58-,59+,60-,61-,62+,63-,64-,65-,66-/m0/s1",BDMQXHLLYKIDGP,ZNZXXGCZSA,N,VI2Fuc-nLc6,BDMQXHLLYKIDGP-ZNZXXGCZSA-N
HMDB62450,1686.758449364,C71H122N4O41,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]5([H])O[C@]([H])(CO)[C@@]([H])(O[C@]6([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]7(C[C@]([H])(O)[C@@]([H])(N=C(C)O)[C@@]([H])(O7)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])N=C(C)O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(C)O,"InChI=1S/C71H122N4O41/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(87)33(72-29(2)83)28-103-66-53(97)52(96)59(42(27-82)109-66)112-68-55(99)62(48(92)38(23-78)105-68)114-64-44(74-31(4)85)50(94)57(40(25-80)107-64)110-67-54(98)61(47(91)37(22-77)104-67)113-65-45(75-32(5)86)51(95)58(41(26-81)108-65)111-69-56(100)63(49(93)39(24-79)106-69)116-71(70(101)102)20-35(88)43(73-30(3)84)60(115-71)46(90)36(89)21-76/h18-19,33-69,76-82,87-100H,6-17,20-28H2,1-5H3,(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,101,102)/t33-,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-,66+,67-,68-,69-,71-/m0/s1",DKFPAZPUUSLXBX,RBRDEBIYSA,N,VI3NeuAc-nLc6Cer,DKFPAZPUUSLXBX-RBRDEBIYSA-N
HMDB62451,466.344695341,C31H46O3,[H]\C(CC12OC1(C)C(=O)C1=CC=CC=C1C2=O)=C(\C)CCCC(C)CCCC(C)CCCC(C)C,"InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",KUTXFBIHPWIDJQ,LKUDQCMESA,N,Vitamin-K-epoxide,KUTXFBIHPWIDJQ-LKUDQCMESA-N
HMDB62452,394.38108085,C26H50O2,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h9-10H,2-8,11-25H2,1H3,(H,27,28)/b10-9-",RQIDQEBURXNDKG,KTKRTIGZSA,N,17Z-hexacosenoic acid,RQIDQEBURXNDKG-KTKRTIGZSA-N
HMDB62453,386.354866094,C27H46O,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",HVYWMOMLDIMFJA,DPAQBDIFSA,N,Cholesterol-ester-pool,HVYWMOMLDIMFJA-DPAQBDIFSA-N
HMDB62454,636.584531687,C44H76O2,[H]\C(CCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],"InChI=1S/C44H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h13-14,25,34-35,37-41H,7-12,15-24,26-33H2,1-6H3/b14-13-/t35-,37+,38+,39-,40+,41+,43+,44-/m1/s1",RLMIGWIAENJHMP,RJRTUNKTSA,N,cholest-5-en-3b-yl (9Z-heptadecenoate),RLMIGWIAENJHMP-RJRTUNKTSA-N
HMDB62455,676.615831816,C47H80O2,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],"InChI=1S/C47H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,28,37-38,40-44H,7-10,13,16-27,29-36H2,1-6H3/b12-11-,15-14-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1",REFJKOQDWJELKE,AKLGJIFXSA,N,"cholest-5-en-3beta-yl (11Z,14Z-eicosadienoate)",REFJKOQDWJELKE-AKLGJIFXSA-N
HMDB62456,706.662782009,C49H86O2,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],"InChI=1S/C49H86O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h14-15,30,39-40,42-46H,7-13,16-29,31-38H2,1-6H3/b15-14-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1",SQHUGNAFKZZXOT,QXAJUEOOSA,N,cholest-5-en-3b-yl (13Z-docosenoate),SQHUGNAFKZZXOT-QXAJUEOOSA-N
HMDB62457,698.600181752,C49H78O2,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],"InChI=1S/C49H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,30,39-40,42-46H,7,10,13,16,19,22-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1",XOLZNHXNFMEUGA,DCDLNIKOSA,N,"cholest-5-en-3beta-yl (7Z,10Z,13Z,16Z,19Z-docosapentaenoate)",XOLZNHXNFMEUGA-DCDLNIKOSA-N
HMDB62458,594.537581494,C41H70O2,[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],"InChI=1S/C41H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h10-11,22,31-32,34-38H,7-9,12-21,23-30H2,1-6H3/b11-10-/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1",LAMGDJMPDNVWTB,BJZZQDJASA,N,cholest-5-en-3b-yl (9Z-tetradecenoate),LAMGDJMPDNVWTB-BJZZQDJASA-N
HMDB62459,680.647131945,C47H84O2,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H84O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h28,37-38,40-44H,7-27,29-36H2,1-6H3/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1",SUOVMGLZSOAHJY,JREUTYQLSA,N,cholest-5-en-3beta-yl eicosanoate,SUOVMGLZSOAHJY-JREUTYQLSA-N
HMDB62460,622.568881623,C43H74O2,[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],"InChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1",HODJWNWCVNUPAQ,XDOSKZMUSA,N,cholest-5-en-3beta-yl (9Z-hexadecenoate),HODJWNWCVNUPAQ-XDOSKZMUSA-N
HMDB62461,652.615831816,C45H80O2,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1",XHRPOTDGOASDJS,XNTGVSEISA,N,cholest-5-en-3beta-yl octadecanoate,XHRPOTDGOASDJS-XNTGVSEISA-N
HMDB62462,207.056325,C10H10ClN3,CC1=NN(C(N)=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C10H10ClN3/c1-7-6-10(12)14(13-7)9-4-2-8(11)3-5-9/h2-6H,12H2,1H3",CLORQKXFDBKDCZ,UHFFFAOYSA,N,"chondroitin sulfate E (GalNAc4,6diS-GlcA) proteoglycan",CLORQKXFDBKDCZ-UHFFFAOYSA-N
HMDB62463,207.056325,C10H10ClN3,CC1=NN(C(N)=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C10H10ClN3/c1-7-6-10(12)14(13-7)9-4-2-8(11)3-5-9/h2-6H,12H2,1H3",CLORQKXFDBKDCZ,UHFFFAOYSA,N,"chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3",CLORQKXFDBKDCZ-UHFFFAOYSA-N
HMDB62464,151.074561922,C7H9N3O,NNC(O)=NC1=CC=CC=C1,"InChI=1S/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)",MOCKWYUCPREFCZ,UHFFFAOYSA,N,"chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a",MOCKWYUCPREFCZ-UHFFFAOYSA-N
HMDB62465,399.7508216,C10Cl8,ClC1=C(Cl)C2=C(C(Cl)=C1Cl)C(Cl)=C(Cl)C(Cl)=C2Cl,InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12,RTNLUFLDZOAXIC,UHFFFAOYSA,N,cis-(3S)-hydroxytetradec-7-enoyl-CoA,RTNLUFLDZOAXIC-UHFFFAOYSA-N
HMDB62466,831.110122987,C25H36N7O17P3S,C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/b5-4+/t14-,18-,19-,20+,24-/m1/s1",KFWWCMJSYSSPSK,PAXLJYGASA,J,(2E)-Butenoyl-CoA,KFWWCMJSYSSPSK-PAXLJYGASA-J
HMDB62467,356.089602855,C19H16O7,COC1=C(OC(C)=O)C(OC)=C2C(=C1)C(=O)C1=C2C=CC=C1OC(C)=O,"InChI=1S/C19H16O7/c1-9(20)25-13-7-5-6-11-15-12(17(22)16(11)13)8-14(23-3)18(19(15)24-4)26-10(2)21/h5-8H,1-4H3",GLRHFDFCXRXABK,UHFFFAOYSA,N,Docosahexaenoylcarnitine,GLRHFDFCXRXABK-UHFFFAOYSA-N
HMDB62468,483.428759319,C29H57NO4,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C29H57NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h27H,5-26H2,1-4H3",IUMXSSOVGPXXJL,UHFFFAOYSA,N,Docosanoylcarnitine,IUMXSSOVGPXXJL-UHFFFAOYSA-N
HMDB62469,252.093900384,C20H12,C1=CC=C2C(=C1)C=C1C=CC3=C4C(C=CC2=C14)=CC=C3,InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H,FMMWHPNWAFZXNH,UHFFFAOYSA,N,Benzo[a]pyrene,FMMWHPNWAFZXNH-UHFFFAOYSA-N
HMDB62470,302.094294314,C20H14O3,OC1C2OC2C2=C(C=C3C=CC4=C5C(C=CC2=C35)=CC=C4)C1O,"InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H",DQEPMTIXHXSFOR,UHFFFAOYSA,N,"Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide",DQEPMTIXHXSFOR-UHFFFAOYSA-N
HMDB62471,126.104465071,C8H14O,CC(C)CC(C)(O)C#C,"InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3",NECRQCBKTGZNMH,UHFFFAOYSA,N,glutathionyl-3-hydroxykynurenine glucoside,NECRQCBKTGZNMH-UHFFFAOYSA-N
HMDB62472,74.048012824,C2H6N2O,NCC(N)=O,"InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)",BEBCJVAWIBVWNZ,UHFFFAOYSA,N,glycinamide,BEBCJVAWIBVWNZ-UHFFFAOYSA-N
HMDB62473,180.063388116,C6H12O6,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C=O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1",GZCGUPFRVQAUEE,KVTDHHQDSA,N,Glycoprotein-phospho-D-mannose,GZCGUPFRVQAUEE-KVTDHHQDSA-N
HMDB62474,1267.849257928,C64H121N3O21,N.[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)[C@@]([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C64H118N2O21.H3N/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-38-51(74)66-45(46(71)37-35-33-31-29-27-25-17-15-13-11-9-7-5-2)43-82-61-56(78)55(77)58(50(42-69)84-61)85-62-57(79)60(54(76)49(41-68)83-62)87-64(63(80)81)39-47(72)52(65-44(3)70)59(86-64)53(75)48(73)40-67;/h35,37,45-50,52-62,67-69,71-73,75-79H,4-34,36,38-43H2,1-3H3,(H,65,70)(H,66,74)(H,80,81);1H3/b37-35+;/t45-,46+,47-,48+,49+,50+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62-,64-;/m0./s1",YFWFATFYEDEDLW,ALBXJJCDSA,N,GM3-ganglioside,YFWFATFYEDEDLW-ALBXJJCDSA-N
HMDB62475,179.035811817,C7H5F4N,NC1=C(C=C(F)C=C1)C(F)(F)F,"InChI=1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",LRCQLCWUUBSUOY,UHFFFAOYSA,N,"IdoA2S-beta-1,4-GlcNAc(3S)-alpha-1,4-GlcA-beta-1,3-Gal-beta-1,3-Gal-beta-1,4-Xylose",LRCQLCWUUBSUOY-UHFFFAOYSA-N
HMDB62476,179.035811817,C7H5F4N,NC1=C(C=C(F)C=C1)C(F)(F)F,"InChI=1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",LRCQLCWUUBSUOY,UHFFFAOYSA,N,"GlcNAc(3S)-alpha-1,4-GlcA-beta-1,3-Gal-beta-1,3-Gal-beta-1,4-Xylose",LRCQLCWUUBSUOY-UHFFFAOYSA-N
HMDB62477,164.068473486,C6H12O5,OC[C@@H](O)[C@@H](O)[C@H](O)CC=O,"InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1",VRYALKFFQXWPIH,PBXRRBTRSA,N,GlcNAc-GlcA-(Gal)2-Xyl,VRYALKFFQXWPIH-PBXRRBTRSA-N
HMDB62478,643.313865964,C30H49N3O10S,[H]C(CCCC(O)=O)=C([H])C\C([H])=C(\[H])C[C@]([H])(O)C(\[H])=C(/[H])[C@@]([H])(SC[C@]([H])(N=C(O)CC[C@]([H])(N)C(O)=O)C(O)=NCC(O)=O)[C@@]([H])(O)CCCCC,"InChI=1S/C30H49N3O10S/c1-2-3-9-13-24(35)25(17-15-21(34)12-10-7-5-4-6-8-11-14-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-16-22(31)30(42)43/h4,6-7,10,15,17,21-25,34-35H,2-3,5,8-9,11-14,16,18-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b6-4?,10-7-,17-15+/t21-,22-,23-,24-,25+/m0/s1",JHBHHPKTNQAMGQ,VCQCUTDLSA,N,"11S,15S-dihydroxy-14R-(S-glutathionyl)-5Z,8Z,12E-eicosatrienoic acid",JHBHHPKTNQAMGQ-VCQCUTDLSA-N
HMDB62479,336.23005951,C20H32O4,[H]C(CCCC(O)=O)=C([H])C\C([H])=C(\[H])C([H])(O)C1([H])O[C@@]1([H])C\C([H])=C(\[H])CCCCC,"InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6?,12-9-,14-11-/t17?,18-,20?/m0/s1",DWNBPRRXEVJMPO,OLCCVTJXSA,N,"10-hydroxy-11S,12S-epoxy-5Z,8Z,14Z-eicosatrienoic acid",DWNBPRRXEVJMPO-OLCCVTJXSA-N
HMDB62480,865.188375217,C27H46N7O17P3S,[H][C@](O)(C(O)=NCCC(O)=NCCSC(=O)CCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@@]1([H])OP(O)(O)=O,"InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20?,21+,22+,26-/m1/s1",OEXFMSFODMQEPE,VIIGDLKUSA,N,R-hexanoyl CoA,OEXFMSFODMQEPE-VIIGDLKUSA-N
HMDB62481,135.104799421,C9H13N,CC(C)C1=CC=C(N)C=C1,"InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3",LRTFPLFDLJYEKT,UHFFFAOYSA,N,iso-nLc8Cer,LRTFPLFDLJYEKT-UHFFFAOYSA-N
HMDB62482,1176.58874571,C52H92N2O27,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O[C@]4([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]4([H])O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(C)O,"InChI=1S/C52H92N2O27/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(61)27(53-25(3)59)23-72-49-42(70)40(68)45(32(22-58)77-49)78-51-43(71)46(36(64)30(20-56)74-51)80-48-33(54-26(4)60)37(65)44(31(21-57)76-48)79-52-47(39(67)35(63)29(19-55)75-52)81-50-41(69)38(66)34(62)24(2)73-50/h17-18,24,27-52,55-58,61-71H,5-16,19-23H2,1-4H3,(H,53,59)(H,54,60)/t24-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36-,37+,38+,39-,40+,41-,42+,43+,44+,45+,46-,47+,48-,49+,50-,51-,52-/m0/s1",NEEVJWBFLIJSEA,MBFXWAGNSA,N,IV2Fuc-nLc4Cer,NEEVJWBFLIJSEA-MBFXWAGNSA-N
HMDB62483,278.163042576,C15H22N2O3,CCCCOC1=C(OC)C=CC(CC2CN=C(O)N2)=C1,"InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)",PDMUULPVBYQBBK,UHFFFAOYSA,N,keratan sulfate I,PDMUULPVBYQBBK-UHFFFAOYSA-N
HMDB62484,138.031694053,C7H6O3,OC1=CC=C(C=O)C(O)=C1,"InChI=1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H",IUNJCFABHJZSKB,UHFFFAOYSA,N,"keratan sulfate II (core 2-linked), degradation product 1",IUNJCFABHJZSKB-UHFFFAOYSA-N
HMDB62485,868.478013486,C40H72N2O18,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(C)O,"InChI=1S/C40H72N2O18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(48)24(41-22(2)46)21-55-39-34(53)33(52)36(28(20-45)58-39)59-40-35(54)37(31(50)27(19-44)57-40)60-38-29(42-23(3)47)32(51)30(49)26(18-43)56-38/h16-17,24-40,43-45,48-54H,4-15,18-21H2,1-3H3,(H,41,46)(H,42,47)/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36+,37-,38-,39+,40-/m0/s1",IZUGJFIVXAZJFA,USLYCZPCSA,N,Lc3Cer,IZUGJFIVXAZJFA-USLYCZPCSA-N
HMDB62486,334.214409446,C20H30O4,[H]\C(CC)=C(\[H])C\C([H])=C(/[H])CC(O)C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C(O)CCCC(O)=O,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3+,8-7+,9-6+,14-10+,15-11+",BISQPGCQOHLHQK,RUEGXZCXSA,N,"5,12-dihydroxy-6,8,10,14,17-eicosapentaenoic acid",BISQPGCQOHLHQK-RUEGXZCXSA-N
HMDB62487,438.231968017,C23H36NO5S,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC[C@]([H])(N)C(O)=O)[C@@]([H])(O)CCCC([O-])=O,"InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/p-1/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1",OTZRAYGBFWZKMX,FRFVZSDQSA,M,leukotriene-e4,OTZRAYGBFWZKMX-FRFVZSDQSA-M
HMDB62488,568.281837559,C28H44N2O8S,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC[C@@]([H])(N=C(O)CC[C@]([H])(N)C(O)=O)C(O)=O)[C@@]([H])(O)CCCC(O)=O,"InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22+,23-,24+/m0/s1",PYSODLWHFWCFLV,AXEBJCQESA,N,leukotriene-f4,PYSODLWHFWCFLV-AXEBJCQESA-N
HMDB62489,164.068473486,C6H12O5,[H][C@@](C)(O)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)C=O,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m0/s1",PNNNRSAQSRJVSB,KCDKBNATSA,N,L-Fucose-1P,PNNNRSAQSRJVSB-KCDKBNATSA-N
HMDB62490,1027.329225797,C39H64N7O17P3S,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@@]1([H])OP(O)(O)=O,"InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,26-28,32-34,38,49-50H,4,7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-/t28-,32?,33+,34+,38-/m1/s1",OMKFKBGZHNJNEX,JVNHXLJDSA,N,"9Z,12Z,15Z-octadecatrienoyl-CoA",OMKFKBGZHNJNEX-JVNHXLJDSA-N
HMDB62491,1029.344875861,C39H66N7O17P3S,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-/t28-,32?,33?,34+,38-/m1/s1",YECLLIMZHNYFCK,YGAJQYQWSA,N,"9Z,12Z-octadecadienoyl-CoA",YECLLIMZHNYFCK-YGAJQYQWSA-N
HMDB62492,89.023869026,C3H5O3,C[C@H](O)C([O-])=O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1",JVTAAEKCZFNVCJ,REOHCLBHSA,M,L-Lactate,JVTAAEKCZFNVCJ-REOHCLBHSA-M
HMDB62493,197.105193347,C10H15NO3,CNC[C@H](O)C1=CC(OC)=C(O)C=C1,"InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3/t9-/m0/s1",JWJCTZKFYGDABJ,VIFPVBQESA,N,L-Metanephrine,JWJCTZKFYGDABJ-VIFPVBQESA-N
HMDB62494,496.26070819,C25H40N2O6S,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1",YEESKJGWJFYOOK,IJHYULJSSA,N,"5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acid",YEESKJGWJFYOOK-IJHYULJSSA-N
HMDB62495,179.035811817,C7H5F4N,NC1=C(C=C(F)C=C1)C(F)(F)F,"InChI=1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",LRCQLCWUUBSUOY,UHFFFAOYSA,N,"IdoA-beta-1,4-GlcNAc(3S)-alpha-1,4-GlcA-beta-1,3-Gal-beta-1,3-Gal-beta-1,4-Xylose",LRCQLCWUUBSUOY-UHFFFAOYSA-N
HMDB62496,161.105193351,C7H15NO3,C[N+](C)(C)CC(O)CC([O-])=O,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3",PHIQHXFUZVPYII,UHFFFAOYSA,N,Malonyl-Carnitin,PHIQHXFUZVPYII-UHFFFAOYSA-N
HMDB62497,236.116092383,C12H16N2O3,COC1=CC(C(=O)CCN=C(C)O)=C(N)C=C1,"InChI=1S/C12H16N2O3/c1-8(15)14-6-5-12(16)10-7-9(17-2)3-4-11(10)13/h3-4,7H,5-6,13H2,1-2H3,(H,14,15)",RJQIZOKNUKRKTP,UHFFFAOYSA,N,N-acetyl-5-methoxykynuramine,RJQIZOKNUKRKTP-UHFFFAOYSA-N
HMDB62498,164.068473486,C6H12O5,OC[C@@H](O)[C@@H](O)[C@H](O)CC=O,"InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1",VRYALKFFQXWPIH,PBXRRBTRSA,N,N-Acetylglucosamine-1P,VRYALKFFQXWPIH-PBXRRBTRSA-N
HMDB62499,164.068473486,C6H12O5,OC[C@@H](O)[C@@H](O)[C@H](O)CC=O,"InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1",VRYALKFFQXWPIH,PBXRRBTRSA,N,N-Acetylglucosamine-6P,VRYALKFFQXWPIH-PBXRRBTRSA-N
HMDB62500,221.089937217,C8H15NO6,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(NC(C)=O)C=O,"InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1",MBLBDJOUHNCFQT,WCTZXXKLSA,N,N-Acetylmannosamine-6P,MBLBDJOUHNCFQT-WCTZXXKLSA-N
HMDB62501,131.022954805,C4H5NO4,NC(CC([O-])=O)C([O-])=O,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2",CKLJMWTZIZZHCS,UHFFFAOYSA,L,N-acetyl-seryl-aspartate,CKLJMWTZIZZHCS-UHFFFAOYSA-L
HMDB62502,325.100895816,C11H19NO10,OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O,"InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11?/m0/s1",FDJKUWYYUZCUJX,PGIATKPXSA,N,NeuNGc,FDJKUWYYUZCUJX-PGIATKPXSA-N
HMDB62503,159.068413914,C10H9NO,ONC1=CC=CC2=CC=CC=C12,"InChI=1S/C10H9NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H",CWFINLADSFPMHF,UHFFFAOYSA,N,N-Hydroxy-1-aminonaphthalene,CWFINLADSFPMHF-UHFFFAOYSA-N
HMDB62504,105.978195684,CNO5,[O-]C(=O)OON=O,"InChI=1S/CHNO5/c3-1(4)6-7-2-5/h(H,3,4)/p-1",KSZMOTXUZYNGAZ,UHFFFAOYSA,M,nitrosoperoxycarbonate,KSZMOTXUZYNGAZ-UHFFFAOYSA-M
HMDB62505,81.9701296,ClHNO2,[Cl-].[O]N[O],InChI=1S/ClH.HNO2/c;2-1-3/h1H;1H/p-1,HSSFHZJIMRUXDM,UHFFFAOYSA,M,nitryl chloride,HSSFHZJIMRUXDM-UHFFFAOYSA-M
HMDB62506,1192.58366033,C52H92N2O28,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]5([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]5([H])O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(C)O,"InChI=1S/C52H92N2O28/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(62)26(53-24(2)60)23-73-49-41(70)39(68)45(32(22-59)78-49)80-52-42(71)46(35(64)29(19-56)76-52)81-48-33(54-25(3)61)37(66)44(31(21-58)77-48)79-51-43(72)47(36(65)30(20-57)75-51)82-50-40(69)38(67)34(63)28(18-55)74-50/h16-17,26-52,55-59,62-72H,4-15,18-23H2,1-3H3,(H,53,60)(H,54,61)/t26-,27+,28+,29+,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49+,50+,51-,52-/m0/s1",HMOQZEGDEFENEX,WATINQGFSA,N,nLc5Cer,HMOQZEGDEFENEX-WATINQGFSA-N
HMDB62507,1395.663032853,C60H105N3O33,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]5([H])O[C@]([H])(CO)[C@@]([H])(O[C@]6([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])N=C(C)O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(C)O,"InChI=1S/C60H105N3O33/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30(73)29(61-26(2)70)25-85-57-47(82)45(80)52(36(24-69)91-57)94-60-49(84)54(41(76)33(21-66)88-60)96-56-38(63-28(4)72)43(78)51(35(23-68)90-56)93-59-48(83)53(40(75)32(20-65)87-59)95-55-37(62-27(3)71)42(77)50(34(22-67)89-55)92-58-46(81)44(79)39(74)31(19-64)86-58/h17-18,29-60,64-69,73-84H,5-16,19-25H2,1-4H3,(H,61,70)(H,62,71)(H,63,72)/t29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57+,58-,59-,60-/m0/s1",VSLUUOTXHBNIGP,XBDPQXKDSA,N,nLc6Cer,VSLUUOTXHBNIGP-XBDPQXKDSA-N
HMDB62508,60.032362757,CH4N2O,CN=NO,"InChI=1S/CH4N2O/c1-2-3-4/h1H3,(H,2,4)",CIJBKNZDKBKMFU,UHFFFAOYSA,N,N-nitrosomethanamine,CIJBKNZDKBKMFU-UHFFFAOYSA-N
HMDB62509,1043.362720245,C40H68N7O17P3S,[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)CCCCCCCCCCCCCCCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C40H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(49)68-24-23-42-30(48)21-22-43-38(52)35(51)40(2,3)26-61-67(58,59)64-66(56,57)60-25-29-34(63-65(53,54)55)33(50)39(62-29)47-28-46-32-36(41)44-27-45-37(32)47/h27-29,33-35,39,50-51H,4-26H2,1-3H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t29-,33-,34-,35+,39-/m1/s1",YUJZGRUJMWKAJF,ZOUGCNRJSA,J,Nonadecanoyl-CoA,YUJZGRUJMWKAJF-ZOUGCNRJSA-J
HMDB62510,231.14705816,C11H21NO4,[H][C@@](CC([O-])=O)(C[N+](C)(C)C)OC(=O)CCC,"InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1",QWYFHHGCZUCMBN,SECBINFHSA,N,O-butanoyl-carnitine,QWYFHHGCZUCMBN-SECBINFHSA-N
HMDB62511,143.107204724,C8H15O2,CCCCCCCC([O-])=O,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1",WWZKQHOCKIZLMA,UHFFFAOYSA,M,octanoate radical,WWZKQHOCKIZLMA-UHFFFAOYSA-M
HMDB62512,1031.360525926,C39H68N7O17P3S,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32?,33?,34+,38-/m1/s1",XDUHQPOXLUAVEE,HLIBWQMFSA,N,9Z-octadecenoyl-CoA,XDUHQPOXLUAVEE-HLIBWQMFSA-N
HMDB62513,375.030809892,C15H16Cl3N3O2,CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1,"InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3",TVLSRXXIMLFWEO,UHFFFAOYSA,N,omega-COOH-tetranor-LTE3,TVLSRXXIMLFWEO-UHFFFAOYSA-N
HMDB62514,217.131408096,C10H19NO4,[H][C@@](CC([O-])=O)(C[N+](C)(C)C)OC(=O)CC,"InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1",UFAHZIUFPNSHSL,MRVPVSSYSA,N,O-propanoyl-carnitine,UFAHZIUFPNSHSL-MRVPVSSYSA-N
HMDB62515,183.089543287,C9H13NO3,CNCC(O)C1=CC(O)=C(O)C=C1,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3",UCTWMZQNUQWSLP,UHFFFAOYSA,N,Oxidized-adrenal-ferredoxin,UCTWMZQNUQWSLP-UHFFFAOYSA-N
HMDB62516,1003.329225797,C37H64N7O17P3S,[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-/t26-,30?,31?,32+,36-/m1/s1",QBYOCCWNZAOZTL,RRXNTRIDSA,N,9Z-hexadecenoyl-CoA,QBYOCCWNZAOZTL-RRXNTRIDSA-N
HMDB62517,385.319208869,C22H43NO4,CCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C22H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-20(18-21(24)25)19-23(2,3)4/h20H,5-19H2,1-4H3",MDDWQHVKSHTZTD,UHFFFAOYSA,N,Pentadecanoylcarnitine,MDDWQHVKSHTZTD-UHFFFAOYSA-N
HMDB62518,987.300119988,C36H60N7O17P3S,[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)CCCCCCCCCCCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h23-25,29-31,35,46-47H,4-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/t25-,29-,30-,31+,35-/m1/s1",VLBCUOVMSMAIJC,VTINEICCSA,J,Pentadecanoyl-CoA,VLBCUOVMSMAIJC-VTINEICCSA-J
HMDB62519,1046.489791511,C47H85O19P3,[H]\C(CCCC(=O)OC([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OC1([H])[C@]([H])(O)[C@@]([H])(OP(O)(O)=O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])/C(/[H])=C(/[H])CCCCCC,"InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-47-43(51)45(64-67(53,54)55)42(50)46(44(47)52)65-68(56,57)58/h13,15,17,19,22,24,28,30,39,42-47,50-52H,3-12,14,16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b15-13-,19-17-,24-22-,30-28-/t39?,42?,43-,44-,45-,46+,47?/m1/s1",LNUAYACWRWQKIB,QFTKSLGUSA,N,"phosphatidylinositol-3,5-bisphosphate",LNUAYACWRWQKIB-QFTKSLGUSA-N
HMDB62520,312.302830528,C20H40O2,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CC(O)=O,"InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19?/m1/s1",RLCKHJSFHOZMDR,PWCSWUJKSA,N,"3,7R,11R,15-tetramethyl-hexadecanoic acid",RLCKHJSFHOZMDR-PWCSWUJKSA-N
HMDB62521,314.224580206,C21H30O2,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,16-19H,5-12H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",MNRHZPCIEGLWGK,LEKSSAKUSA,N,"pregn-5-ene-3,20-dione",MNRHZPCIEGLWGK-LEKSSAKUSA-N
HMDB62522,330.219494826,C21H30O3,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(=O)CC[C@]12C,"InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,16-18,24H,5-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",RCFJDVCRANOZEL,CEGNMAFCSA,N,"pregn-5-ene-3,20-dione-17-ol",RCFJDVCRANOZEL-CEGNMAFCSA-N
HMDB62523,1150.535683998,C75H70N6O6,CN(C)C1=CC=C2C(C=CC(C=CC3=C(C)N(C(C)=C3)C3=CC=CC=C3)=[N+]2C)=C1.CN(C)C1=CC=C2C(C=CC(C=CC3=C(C)N(C(C)=C3)C3=CC=CC=C3)=[N+]2C)=C1.OC(=O)C1=CC2=CC=CC=C2C(CC2=C([O-])C(=CC3=CC=CC=C23)C(O)=O)=C1[O-],"InChI=1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2",OOPDAHSJBRZRPH,UHFFFAOYSA,L,Presqualene-PP,OOPDAHSJBRZRPH-UHFFFAOYSA-L
HMDB62524,334.214409448,C20H30O4,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])C(=O)C=C[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)CCCCC,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1",MYHXHCUNDDAEOZ,FOSBLDSVSA,N,prostaglandin-a2,MYHXHCUNDDAEOZ-FOSBLDSVSA-N
HMDB62525,351.110021202,C12H21N3O7S,[H][C@](N)(CCC(O)=N[C@@]([H])(CSCCO)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C12H21N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h7-8,16H,1-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1",UUZCUSQQEJSIHR,YUMQZZPRSA,N,S-(2-Hydroxyethyl)glutathione,UUZCUSQQEJSIHR-YUMQZZPRSA-N
HMDB62526,432.066039608,C14H20N6O5Se,[H][C@](N)(CC[Se]C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(O)=O,"InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1",UVSMMLABJBJNGH,WFMPWKQPSA,N,Se-Adenosyl-L-selenohomocysteine,UVSMMLABJBJNGH-WFMPWKQPSA-N
HMDB62527,270.011879,C7H14N2O4Se,[H][C@](N)(CC[Se]C[C@]([H])(N)C(O)=O)C(O)=O,"InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",ZNWYDQPOUQRDLY,WHFBIAKZSA,N,L-Selenocystathionine,ZNWYDQPOUQRDLY-WHFBIAKZSA-N
HMDB62528,473.085262543,C16H19N5O10S,[H][C@](N)(CCC(=O)N[C@@]([H])(CSC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1",FXEUKVKGTKDDIQ,UWVGGRQHSA,N,"1-(s-glutathionyl)-2,4-dinitrobenzene",FXEUKVKGTKDDIQ-UWVGGRQHSA-N
HMDB62529,126.104465071,C8H14O,CC(C)CC(C)(O)C#C,"InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3",NECRQCBKTGZNMH,UHFFFAOYSA,N,Sialyl-3-paragloboside,NECRQCBKTGZNMH-UHFFFAOYSA-N
HMDB62530,262.045369061,C6H15O9P,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(OP(O)(O)=O)[C@@]([H])(O)CO,"InChI=1S/C6H15O9P/c7-1-3(9)5(11)6(4(10)2-8)15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6-/m1/s1",RSCVCIHYYQHRMQ,JGWLITMVSA,N,sorbitol 3-phosphate,RSCVCIHYYQHRMQ-JGWLITMVSA-N
HMDB62531,379.248759843,C18H38NO5P,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@@]([H])(N)COP(O)(O)=O,"InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1",DUYSYHSSBDVJSM,KRWOKUGFSA,N,Sphing-4-enine-1-phosphate,DUYSYHSSBDVJSM-KRWOKUGFSA-N
HMDB62532,427.366159062,C25H49NO4,[H][C@@](CC([O-])=O)(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h23H,5-22H2,1-4H3/t23-/m1/s1",FNPHNLNTJNMAEE,HSZRJFAPSA,N,O-octadecanoyl-R-carnitine,FNPHNLNTJNMAEE-HSZRJFAPSA-N
HMDB62533,145.9092978,C2HCl3O,ClC1OC1(Cl)Cl,"InChI=1S/C2HCl3O/c3-1-2(4,5)6-1/h1H",CMMXCVYESRODNH,UHFFFAOYSA,N,TCE epoxide,CMMXCVYESRODNH-UHFFFAOYSA-N
HMDB62534,465.322162749,C27H45O6,[H][C@](O)(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C)C([H])(C)C([O-])=O,"InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/p-1/t14-,15?,16+,17-,18-,19+,20+,21+,22-,23+,24+,26+,27-/m1/s1",FAYYTQMQTAKHRM,ASDSSCPRSA,M,TetraHCA,FAYYTQMQTAKHRM-ASDSSCPRSA-M
HMDB62535,1045.37617599,C40H70N7O17P3S,[H]\C(CCC([H])(C)CCCC([H])(C)CCCC(C)C)=C(\C)C(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C40H70N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h16,23-27,29,32-34,38,49-50H,8-15,17-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/b28-16+/t26?,27?,29-,32-,33-,34+,38-/m1/s1",WLOASZHRLIOYIA,TXRROMTDSA,N,"trans-2,3-dehydropristanoyl-CoA",WLOASZHRLIOYIA-TXRROMTDSA-N
HMDB62536,126.104465071,C8H14O,CC(C)CC(C)(O)C#C,"InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3",NECRQCBKTGZNMH,UHFFFAOYSA,N,"trans-3-cis-8,11,14-eicosatetraenoyl-CoA",NECRQCBKTGZNMH-UHFFFAOYSA-N
HMDB62537,1099.425320503,C44H76N7O17P3S,[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C44H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h31-33,37-39,43,54-55H,4-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/p-4/t33-,37-,38-,39+,43-/m1/s1",GBAQBZWAXMYXRJ,IDCBOFBBSA,J,Tricosanoyl-CoA,GBAQBZWAXMYXRJ-IDCBOFBBSA-J
HMDB62538,180.063388116,C6H12O6,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CO,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1",BJHIKXHVCXFQLS,UYFOZJQFSA,N,Fructose-1P,BJHIKXHVCXFQLS-UYFOZJQFSA-N
HMDB62539,1027.329225797,C39H64N7O17P3S,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O,"InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,26-28,32-34,38,49-50H,4-7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-,15-14-/t28-,32?,33?,34+,38-/m1/s1",XZQYPTBYQYZGRU,RNSMFHBMSA,N,"6Z,9Z,12Z-octadecatrienoyl-CoA",XZQYPTBYQYZGRU-RNSMFHBMSA-N
HMDB62540,827.451464386,C38H69NO18,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(C)O,"InChI=1S/C38H69NO18/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(44)22(39-21(2)43)20-52-36-32(50)29(47)34(25(18-41)54-36)57-38-33(51)30(48)35(26(19-42)55-38)56-37-31(49)28(46)27(45)24(17-40)53-37/h15-16,22-38,40-42,44-51H,3-14,17-20H2,1-2H3,(H,39,43)/b16-15+/t22-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+,33+,34+,35-,36+,37+,38-/m0/s1",HFQKBOPMAOTAIR,TZSVBWBLSA,N,Gb3Cer,HFQKBOPMAOTAIR-TZSVBWBLSA-N
HMDB62541,496.339766404,C24H51NO7P,CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC[N+](C)(C)C,"InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1",ASWBNKHCZGQVJV,UHFFFAOYSA,O,1-palmitoylglycerophosphocholine,ASWBNKHCZGQVJV-UHFFFAOYSA-O
HMDB62542,170.08439833,C11H10N2,NC1=CC=C(C=C1)C1=CC=CC=N1,"InChI=1S/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2",BXYRAPNURYRQSP,UHFFFAOYSA,N,10-heptadecenoate (17:1n7),BXYRAPNURYRQSP-UHFFFAOYSA-N
HMDB62543,170.08439833,C11H10N2,NC1=CC=C(C=C1)C1=CC=CC=N1,"InChI=1S/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2",BXYRAPNURYRQSP,UHFFFAOYSA,N,10-nonadecenoate (19:1n9),BXYRAPNURYRQSP-UHFFFAOYSA-N
HMDB62544,383.153383343,C19H27O6S,[H][C@@]1(O)C[C@@]2([H])[C@]3([H])CC=C4C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]2(C)C1=O)OS([O-])(=O)=O,"InChI=1S/C19H28O6S/c1-18-7-5-12(25-26(22,23)24)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)21/h3,12-16,20H,4-10H2,1-2H3,(H,22,23,24)/p-1/t12-,13+,14-,15-,16+,18-,19-/m0/s1",ALBNSVAJDFJRKQ,DNKQKWOHSA,M,16a-hydroxy DHEA 3-sulfate,ALBNSVAJDFJRKQ-DNKQKWOHSA-M
HMDB62545,305.042383896,C9H12N3O7P,[H][C@]1(CO)O[C@]([H])(C[C@]1([H])OP(O)([O-])=O)N1C=CC(=N)N=C1[O-],"InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(6(4-13)18-8)19-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/p-2/t5-,6+,8+/m0/s1",FVSAHFFHPOLBLL,SHYZEUOFSA,L,2'-deoxycytidine 3'-monophosphate,FVSAHFFHPOLBLL-SHYZEUOFSA-L
HMDB62546,143.107753303,C8H15O2,CCCCC(CC)C([O-])=O,"InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1",OBETXYAYXDNJHR,UHFFFAOYSA,M,2-ethylhexanoate (isobar with 2-propylpentanoate),OBETXYAYXDNJHR-UHFFFAOYSA-M
HMDB62547,247.015058188,C8H9NO6S,CC(O)=NC1=C(O)C=C(OS(O)(=O)=O)C=C1,"InChI=1S/C8H9NO6S/c1-5(10)9-7-3-2-6(4-8(7)11)15-16(12,13)14/h2-4,11H,1H3,(H,9,10)(H,12,13,14)",HRLQZTOIKWEZBN,UHFFFAOYSA,N,2-hydroxyacetaminophen sulfate,HRLQZTOIKWEZBN-UHFFFAOYSA-N
HMDB62548,271.227868438,C16H31O3,CCCCCCCCCCCCCCC(O)C([O-])=O,"InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/p-1",JGHSBPIZNUXPLA,UHFFFAOYSA,M,2-hydroxypalmitate,JGHSBPIZNUXPLA-UHFFFAOYSA-M
HMDB62549,300.266445019,C18H36O3,CCCCCCCCCCCCCCCCC(O)C(O)=O,"InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)",KIHBGTRZFAVZRV,UHFFFAOYSA,N,2-hydroxystearate,KIHBGTRZFAVZRV-UHFFFAOYSA-N
HMDB62550,261.030708252,C9H11NO6S,COC1=C(C=CC(OS(O)(=O)=O)=C1)N=C(C)O,"InChI=1S/C9H11NO6S/c1-6(11)10-8-4-3-7(5-9(8)15-2)16-17(12,13)14/h3-5H,1-2H3,(H,10,11)(H,12,13,14)",NZKKXAGORRATJB,UHFFFAOYSA,N,2-methoxyacetaminophen sulfate,NZKKXAGORRATJB-UHFFFAOYSA-N
HMDB62551,202.029979976,C8H10O4S,CCC1=CC=C(OS(O)(=O)=O)C=C1,"InChI=1S/C8H10O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)",DWZGLEPNCRFCEP,UHFFFAOYSA,N,4-ethylphenylsulfate,DWZGLEPNCRFCEP-UHFFFAOYSA-N
HMDB62552,487.227827663,C20H33N5O9,[H][C@@](CO)(N=C(C)O)C(O)=N[C@@]([H])(CC(O)=O)C(O)=N[C@@]([H])(CCCCN)C(=O)N1CCC[C@@]1([H])C(O)=O,"InChI=1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/t12-,13-,14-,15-/m0/s1",HJDRXEQUFWLOGJ,AJNGGQMLSA,N,Ac-Ser-Asp-Lys-Pro-OH,HJDRXEQUFWLOGJ-AJNGGQMLSA-N
HMDB62553,310.116486308,C14H18N2O6,NC(CCC(O)=O)C(O)=NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C14H18N2O6/c15-10(5-6-12(18)19)13(20)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)",YSWHPLCDIMUKFE,UHFFFAOYSA,N,alpha-glutamyltyrosine,YSWHPLCDIMUKFE-UHFFFAOYSA-N
HMDB62554,589.082239121,C16H25N5O15P2,[H][C@]1(COP(O)(=O)OP(O)(=O)O[C@@]2([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3O)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1",LQEBEXMHBLQMDB,JGQUBWHWSA,N,guanosine 5'-diphospho-fucose,LQEBEXMHBLQMDB-JGQUBWHWSA-N
HMDB62555,261.157622845,C12H23NO5,CC(C)CC(=O)OC(O)(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C12H23NO5/c1-9(2)6-11(16)18-12(17,7-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3",DHRNMNHPSWBJEN,UHFFFAOYSA,N,hydroxyisovaleroyl carnitine,DHRNMNHPSWBJEN-UHFFFAOYSA-N
HMDB62556,232.154334613,C11H22NO4,[H][C@@](CC(O)=O)(C[N+](C)(C)C)OC(=O)C(C)C,"InChI=1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/p+1/t9-/m1/s1",LRCNOZRCYBNMEP,SECBINFHSA,O,isobutyrylcarnitine,LRCNOZRCYBNMEP-SECBINFHSA-O
HMDB62557,161.068807845,C6H11NO4,[H][C@](C)(O)[C@]([H])(N=C(C)O)C(O)=O,"InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1",PEDXUVCGOLSNLQ,WUJLRWPWSA,N,N-acetylthreonine,PEDXUVCGOLSNLQ-WUJLRWPWSA-N
HMDB62558,128.058577506,C5H8N2O2,NC1CCC(O)=NC1=O,"InChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)",NPWMTBZSRRLQNJ,UHFFFAOYSA,N,pyroglutamine,NPWMTBZSRRLQNJ-UHFFFAOYSA-N
HMDB62559,730.598875399,C41H83N2O6P,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)N=C(O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+/t39-,40+/m0/s1",LKQLRGMMMAHREN,YJFXYUILSA,N,stearoyl sphingomyelin,LKQLRGMMMAHREN-YJFXYUILSA-N
HMDB62560,320.042049544,C10H13N2O8P,[H][C@]1(CO)O[C@]([H])(C[C@]1([H])OP(O)([O-])=O)N1C=C(C)C([O-])=NC1=O,"InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/p-2/t6-,7+,8+/m0/s1",XXYIANZGUOSQHY,XLPZGREQSA,L,thymidine 3'-monophosphate,XXYIANZGUOSQHY-XLPZGREQSA-L
HMDB62561,181.095022587,C6H15NO5,CC(O)=O.NC(CO)(CO)CO,"InChI=1S/C4H11NO3.C2H4O2/c5-4(1-6,2-7)3-8;1-2(3)4/h6-8H,1-3,5H2;1H3,(H,3,4)",PIEPQKCYPFFYMG,UHFFFAOYSA,N,trizma acetate,PIEPQKCYPFFYMG-UHFFFAOYSA-N
HMDB62562,137.035650989,C6H5N2O2,[H]\C(=C(\[H])C1=CN=CN1)C([O-])=O,"InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/p-1/b2-1+",LOIYMIARKYCTBW,OWOJBTEDSA,M,Trans-urocanate,LOIYMIARKYCTBW-OWOJBTEDSA-M
HMDB62563,198.017535073,C8H6O6,[H]\C(=C(\[H])C(=O)CC(=O)CC([O-])=O)C([O-])=O,"InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/p-2/b2-1+",GACSIVHAIFQKTC,OWOJBTEDSA,L,4-fumarylacetoacetate(2-),GACSIVHAIFQKTC-OWOJBTEDSA-L
HMDB62564,194.079038171,C7H14O6,[H]C1(O)[C@@]([H])(O)[C@]([H])(O)C([H])(OC)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5+,6+,7?/m1/s1",DSCFFEYYQKSRSV,MYRJGQQHSA,N,1D-5-O-methyl-chiro-inositol,DSCFFEYYQKSRSV-MYRJGQQHSA-N
HMDB62565,848.668261314,C58H88O4,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(=O)C(=O)C(OC)=C1O)=C(\C)CCC=C(C)C,"InChI=1S/C58H88O4/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)55(59)57(61)58(62-13)56(54)60/h23,25,27,29,31,33,35,37,39,41,60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+",BHUSYAAQPPOGBM,AVRCVIBKSA,N,"2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone",BHUSYAAQPPOGBM-AVRCVIBKSA-N
HMDB62566,328.297745148,C20H40O3,CCCCCCCCCCCCCCCCCC(O)CC(O)=O,"InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)",XXKHCFPQYSMGCI,UHFFFAOYSA,N,3-hydroxyicosanoic Acid,XXKHCFPQYSMGCI-UHFFFAOYSA-N
HMDB62567,209.021254527,C4H8N3O5P,C[N+](CC([O-])=O)=C(N)NP([O-])([O-])=O,"InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H5,5,6,8,9,10,11,12)/p-2",RMRKEMHUAGATCC,UHFFFAOYSA,L,N-phosphocreatinate(2-),RMRKEMHUAGATCC-UHFFFAOYSA-L
HMDB62568,335.966944078,C6H10O12P2,[H][C@]1(O)[C@@]([H])(O)C([H])(OP([O-])([O-])=O)[C@]([H])(O)[C@@]([H])(O)C1([H])OP([O-])([O-])=O,"InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5?,6?/m1/s1",PELZSPZCXGTUMR,MBEOBJKWSA,J,"1D-myo-inositol 1,4-bisphosphate(4-)",PELZSPZCXGTUMR-MBEOBJKWSA-J
HMDB62569,628.127629648,C20H29N4O17P,[H][C@@](O)(CO)[C@@]([H])(O)[C@]1([H])O[C@](C[C@]([H])(O)[C@@]1([H])N=C([O-])CO)(OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)[C@]1([H])O)C([O-])=O,"InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/p-2/t7-,8+,9+,12+,13+,14+,15+,16+,17+,20+/m0/s1",HOEWKBQADMRCLO,UIUGZIMDSA,L,CMP-N-glycoloyl-beta-neuraminate(2-),HOEWKBQADMRCLO-UIUGZIMDSA-L
HMDB62570,163.107718771,C6H15N2O3,[H][C@](N)(CC[C@@]([H])(O)C[NH3+])C(O)=O,"InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/p+1/t4-,5+/m1/s1",YSMODUONRAFBET,UHNVWZDZSA,O,Erythro-5-hydroxy-L-lysinium(1+),YSMODUONRAFBET-UHNVWZDZSA-O
HMDB62571,300.289705888,C18H38NO2,[H][C@]([NH3+])(CO)C(=O)CCCCCCCCCCCCCCC,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/p+1/t17-/m0/s1",KBUNOSOGGAARKZ,KRWDZBQOSA,O,3-dehydrosphinganinium(1+),KBUNOSOGGAARKZ-KRWDZBQOSA-O
HMDB62572,835.107233835,C24H36N7O18P3S,[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)CCO)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/p-4/t13-,17-,18-,19+,23-/m1/s1",BERBFZCUSMQABM,IEXPHMLFSA,J,3-hydroxypropanoyl-CoA(4-),BERBFZCUSMQABM-IEXPHMLFSA-J
HMDB62573,564.040468412,C15H22N2O17P2,OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/p-2/t5-,6-,8+,9-,10+,11-,12-,13-,14?/m1/s1",HSCJRCZFDFQWRP,LNYDKVEPSA,L,UDP-D-galactose(2-),HSCJRCZFDFQWRP-LNYDKVEPSA-L
HMDB62574,126.102573819,C6H12N3,CN1C=NC(CC[NH3+])=C1,"InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3/p+1",FHQDWPCFSJMNCT,UHFFFAOYSA,O,N(tele)-methylhistaminium,FHQDWPCFSJMNCT-UHFFFAOYSA-O
HMDB62575,294.049660349,C8H13N3O7P,[H][C@]1(COP(O)([O-])=O)OC([H])(N2C=NC=C2N)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/p-1/t4-,6-,7-,8?/m1/s1",PDACUKOKVHBVHJ,ZRTZXPPTSA,M,5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium,PDACUKOKVHBVHJ-ZRTZXPPTSA-M
HMDB62576,228.027862276,C5H11NO7P,[H][C@@]1(N)O[C@]([H])(COP(O)([O-])=O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/p-1/t2-,3-,4-,5-/m1/s1",SKCBPEVYGOQGJN,TXICZTDVSA,M,5-phospho-beta-D-ribosylaminium(1-),SKCBPEVYGOQGJN-TXICZTDVSA-M
HMDB62577,260.01282837,C7H17O2PS3,CCOP(=S)(OCC)SCSCC,"InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3",BULVZWIRKLYCBC,UHFFFAOYSA,N,Phosphatidylcholine O-34:2,BULVZWIRKLYCBC-UHFFFAOYSA-N
HMDB62578,183.017869425,C7H5NO5,[H]\C(C=O)=C(/[H])\C(\C([O-])=O)=C(\N)C([O-])=O,"InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/p-2/b2-1-,5-4-",KACPVQQHDVBVFC,OIFXTYEKSA,L,"Cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate",KACPVQQHDVBVFC-OIFXTYEKSA-L
HMDB62579,327.232953818,C22H31O2,[H]C(CC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC([O-])=O,"InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/p-1/b4-3?,7-6-,10-9-,13-12-,16-15-,19-18-",MBMBGCFOFBJSGT,KXRQTMKUSA,M,"(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate",MBMBGCFOFBJSGT-KXRQTMKUSA-M
HMDB62580,331.264253947,C22H35O2,[H]\C(CCCCC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCC([O-])=O,"InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/p-1/b7-6-,10-9?,13-12-,16-15-",TWSWSIQAPQLDBP,UXGBKZFVSA,M,"(7Z,10Z,13Z,16Z)-docosatetraenoate",TWSWSIQAPQLDBP-UXGBKZFVSA-M
HMDB62581,330.219494826,C21H30O3,[H][C@@]12C=C(CO)CC[C@@]1([H])C(C)(C)OC1=CC(CCCCC)=CC(O)=C21,"InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1",YCBKSSAWEUDACY,IAGOWNOFSA,N,11-hydroxy-Delta(9)-tetrahydrocannabinol,YCBKSSAWEUDACY-IAGOWNOFSA-N
HMDB62582,838.557129731,C43H83O13P,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OC1([H])[C@]([H])(O)[C@@]([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C43H83O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38-43,46-50H,3-34H2,1-2H3,(H,51,52)/t35-,38?,39-,40+,41-,42-,43?/m1/s1",NEXFZIYXCPIHEF,XVQBWIJQSA,N,1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol,NEXFZIYXCPIHEF-XVQBWIJQSA-N
HMDB62583,178.050966702,C9H8NO3,[O-]C(=O)CNC(=O)C1=CC=CC=C1,"InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/p-1",QIAFMBKCNZACKA,UHFFFAOYSA,M,N-benzoylglycinate,QIAFMBKCNZACKA-UHFFFAOYSA-M
HMDB62584,118.062994182,C5H10O3,[H][C@](O)(C(C)C)C(O)=O,"InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1",NGEWQZIDQIYUNV,BYPYZUCNSA,N,(S)-2-hydroxy-3-methylbutyric Acid,NGEWQZIDQIYUNV-BYPYZUCNSA-N
HMDB62585,129.042593089,C5H7NO3,[H][C@@]1(O)C[C@]([H])(N=C1)C(O)=O,"InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9)/t3-,4+/m1/s1",WFOFKRKDDKGRIK,DMTCNVIQSA,N,"(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid",WFOFKRKDDKGRIK-DMTCNVIQSA-N
HMDB62586,884.541479666,C47H81O13P,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OC1([H])[C@]([H])(O)[C@@]([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,"InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,39,42-47,50-54H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43-,44+,45-,46-,47?/m1/s1",SHIZRFSRTKXRQL,WAEQFISDSA,N,1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol,SHIZRFSRTKXRQL-WAEQFISDSA-N
HMDB62587,275.1368874,C12H21NO6,[H][C@@](CC([O-])=O)(C[N+](C)(C)C)OC(=O)CCCC(O)=O,"InChI=1S/C12H21NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h9H,4-8H2,1-3H3,(H-,14,15,16,17)/t9-/m1/s1",NXJAXUYOQLTISD,SECBINFHSA,N,O-glutaroyl-L-carnitine,NXJAXUYOQLTISD-SECBINFHSA-N
HMDB62588,369.28790874,C21H39NO4,[H]\C(CCCCCCCCCCC)=C(\[H])C(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h15-16,19H,5-14,17-18H2,1-4H3/b16-15+",BUBHHSHBKWNLLG,FOCLMDBBSA,N,O-(2-tetradecenoyl)carnitine,BUBHHSHBKWNLLG-FOCLMDBBSA-N
HMDB62589,126.056052082,C6H8NO2,[O-]C(=O)C1CCCC=N1,"InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)/p-1",CSDPVAKVEWETFG,UHFFFAOYSA,M,1-piperideine-6-carboxylate,CSDPVAKVEWETFG-UHFFFAOYSA-M
HMDB62590,166.062994186,C9H10O3,OCC(C(O)=O)C1=CC=CC=C1,"InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",JACRWUWPXAESPB,UHFFFAOYSA,N,Tropate,JACRWUWPXAESPB-UHFFFAOYSA-N
HMDB62591,442.256668184,C23H38O8,[H]\C(CCCC(=O)OC(CO)CO)=C(/[H])C[C@@]1([H])[C@]2([H])C[C@@]([H])(OO2)[C@]1([H])C(\[H])=C(/[H])[C@]([H])(CCCCC)OO,"InChI=1S/C23H38O8/c1-2-3-6-9-17(29-27)12-13-20-19(21-14-22(20)31-30-21)10-7-4-5-8-11-23(26)28-18(15-24)16-25/h4,7,12-13,17-22,24-25,27H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-,22+/m0/s1",CSMKZOGJSGGURC,PKBBWAGBSA,N,Prostaglandin G2 2-glyceryl Ester,CSMKZOGJSGGURC-PKBBWAGBSA-N
HMDB62592,247.105587271,C10H17NO6,[H][C@@](CC(O)=O)(C[N+](C)(C)C)OC(=O)CC([O-])=O,"InChI=1S/C10H17NO6/c1-11(2,3)6-7(4-8(12)13)17-10(16)5-9(14)15/h7H,4-6H2,1-3H3,(H-,12,13,14,15)/t7-/m1/s1",ZGNBLKBZJBJFDG,SSDOTTSWSA,N,O-malonyl-L-carnitine,ZGNBLKBZJBJFDG-SSDOTTSWSA-N
HMDB62593,754.486727694,C41H70O12,[H][C@@]1(CO)O[C@@]([H])(OC[C@@]2([H])O[C@@]([H])(O[C@@](C)(CCC=C(C)C)[C@@]3([H])CC[C@]4(C)[C@]3([H])[C@]([H])(O)C[C@]3([H])[C@@]5(C)CC[C@]([H])(O)C(C)(C)[C@]5([H])CC[C@@]43C)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-50-35-33(48)30(45)24(19-42)51-35)22-11-16-40(7)29(22)23(43)18-27-38(5)15-13-28(44)37(3,4)26(38)12-17-39(27,40)6/h10,22-36,42-49H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35+,36-,38-,39+,40+,41-/m0/s1",CJFGBCWGOQRURQ,JFJIKBJRSA,N,Ginsenoside Mc,CJFGBCWGOQRURQ-JFJIKBJRSA-N
HMDB62594,318.255880335,C21H34O2,[H]C(CCCCC)=C([H])CC([H])=C([H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(=O)OC,"InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13?,17-16-",OFIDNKMQBYGNIW,HQLLQHLWSA,N,Methyl Arachidonate,OFIDNKMQBYGNIW-HQLLQHLWSA-N
HMDB62595,182.057908802,C9H10O4,OCC(C(O)=O)C1=CC(O)=CC=C1,"InChI=1S/C9H10O4/c10-5-8(9(12)13)6-2-1-3-7(11)4-6/h1-4,8,10-11H,5H2,(H,12,13)",DGBMCKWHCNMPPE,UHFFFAOYSA,N,Meta-hydroxyphenylhydracrylic Acid,DGBMCKWHCNMPPE-UHFFFAOYSA-N
HMDB62596,160.109944375,C8H16O3,[H][C@](C)(O)CCCCCC(O)=O,"InChI=1S/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1",OFCMTSZRXXFMBQ,SSDOTTSWSA,N,(7R)-7-hydroxyoctanoic Acid,OFCMTSZRXXFMBQ-SSDOTTSWSA-N
HMDB62597,442.2356111,C22H45Cl3Si,CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1S/C22H45Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23,24)25/h2-22H2,1H3",ADBSXCRGUFFLBC,UHFFFAOYSA,N,Trichloro(docosyl)silane,ADBSXCRGUFFLBC-UHFFFAOYSA-N
HMDB62598,198.234750966,C14H30,CCCCCCC(C)CC(C)CCC,"InChI=1S/C14H30/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h13-14H,5-12H2,1-4H3",FNUQJWPIADDMRS,UHFFFAOYSA,N,"4,6-dimethyldodecane",FNUQJWPIADDMRS-UHFFFAOYSA-N
HMDB62599,146.051384124,C5H10N2OS,CC1(NCCS1)C(O)=N,"InChI=1S/C5H10N2OS/c1-5(4(6)8)7-2-3-9-5/h7H,2-3H2,1H3,(H2,6,8)",JMAFWCZDYHKNPQ,UHFFFAOYSA,N,"2-methyl-1,3-thiazolidine-2-carboxamide",JMAFWCZDYHKNPQ-UHFFFAOYSA-N
HMDB62600,101.084063979,C5H11NO,CCCCN=CO,"InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)",QQGNLKJAIVSNCO,UHFFFAOYSA,N,N-butylformamide,QQGNLKJAIVSNCO-UHFFFAOYSA-N
HMDB62601,154.172150708,C11H22,[H]\C(CCC)=C(\[H])CC(C)CCC,"InChI=1S/C11H22/c1-4-6-7-8-10-11(3)9-5-2/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+",LSQRJOWUMYWNHV,BQYQJAHWSA,N,(4E)-7-methyldec-4-ene,LSQRJOWUMYWNHV-BQYQJAHWSA-N
HMDB62602,308.344301417,C22H44,CCCCCCCCCCCCCCCCCCCCC=C,"InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3",SPURMHFLEKVAAS,UHFFFAOYSA,N,1-docosene,SPURMHFLEKVAAS-UHFFFAOYSA-N
HMDB62603,166.099379691,C10H14O2,COC1=CC=C(C=C1)C(C)(C)O,"InChI=1S/C10H14O2/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4-7,11H,1-3H3",BFXOWZOXTDBCHP,UHFFFAOYSA,N,2-(4-methoxyphenyl)propan-2-ol,BFXOWZOXTDBCHP-UHFFFAOYSA-N
HMDB62604,142.172150708,C10H22,CCCC(C)CC(C)CC,"InChI=1S/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H3",VRHRGVJOUHJULC,UHFFFAOYSA,N,"3,5-dimethyloctane",VRHRGVJOUHJULC-UHFFFAOYSA-N
HMDB62605,164.047344118,C9H8O3,COC(=O)C(=O)C1=CC=CC=C1,"InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3",YLHXLHGIAMFFBU,UHFFFAOYSA,N,Methyl Phenylglyoxalate,YLHXLHGIAMFFBU-UHFFFAOYSA-N
HMDB62606,231.14705816,C11H21NO4,[H][C@@](CC([O-])=O)(C[N+](C)(C)C)OC(=O)C(C)C,"InChI=1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1",LRCNOZRCYBNMEP,SECBINFHSA,N,O-isobutyryl-L-carnitine,LRCNOZRCYBNMEP-SECBINFHSA-N
HMDB62607,418.344695341,C27H46O3,[H][C@](C)(CO)CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4[C@@]([H])(O)[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)20-10-11-21-19-8-9-23-25(30)24(29)13-15-27(23,4)22(19)12-14-26(20,21)3/h9,17-22,24-25,28-30H,5-8,10-16H2,1-4H3/t17-,18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1",IDLRVFXWSUWMHI,KUYJPBLDSA,N,"(25R)-4beta,26-dihydroxycholesterol",IDLRVFXWSUWMHI-KUYJPBLDSA-N
HMDB62609,332.23514489,C21H32O3,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO,"InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15+,16+,17+,18-,20+,21+/m1/s1",USPYDUPOCUYHQL,VEVMSBRDSA,N,5beta-dihydrodeoxycorticosterone,USPYDUPOCUYHQL-VEVMSBRDSA-N
HMDB62610,416.329045277,C27H44O3,[H][C@](C)(CO)CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17-,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1",KVJVJJWIEXCECB,OICBIKJFSA,N,"(25R)-7alpha,26-dihydroxycholest-4-en-3-one",KVJVJJWIEXCECB-OICBIKJFSA-N
HMDB62611,384.160659796,C19H28O6S,[H][C@@]1(O)C[C@@]2([H])[C@]3([H])CC=C4C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]2(C)C1=O)OS(O)(=O)=O,"InChI=1S/C19H28O6S/c1-18-7-5-12(25-26(22,23)24)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)21/h3,12-16,20H,4-10H2,1-2H3,(H,22,23,24)/t12-,13+,14-,15-,16+,18-,19-/m0/s1",ALBNSVAJDFJRKQ,DNKQKWOHSA,N,16alpha-hydroxydehydroepiandrosterone 3-sulfate,ALBNSVAJDFJRKQ-DNKQKWOHSA-N
HMDB62612,386.209324066,C23H30O5,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])C(=O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)CCC1=CC=CC=C1,"InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1",FOBVMYJQWZOGGJ,XYRJXBATSA,N,"17-phenyl-18,19,20-trinor-prostaglandin E2",FOBVMYJQWZOGGJ-XYRJXBATSA-N
HMDB62613,429.30103338,C27H41O4,[H][C@@](C)(CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C(=O)C=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C([O-])=O,"InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-22,24,28H,5-14H2,1-4H3,(H,30,31)/p-1/t16-,17-,19+,20-,21+,22+,24+,26+,27-/m1/s1",QOEPZHFZXUROGV,BXDHRDAUSA,M,(25R)-3beta-hydroxycholest-5-en-7-one-26-oate,QOEPZHFZXUROGV-BXDHRDAUSA-M
HMDB62614,336.23005951,C20H32O4,[H]\C(CCCCCO)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])\C(\[H])=C(/[H])C(O)CCCC(O)=O,"InChI=1S/C20H32O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8,10,12,15,19,21-22H,1,6-7,9,11,13-14,16-18H2,(H,23,24)/b4-2+,5-3+,10-8+,15-12+",IWYJGYZCHKEPCK,BHCYBMAPSA,N,"5,20-DiHETE",IWYJGYZCHKEPCK-BHCYBMAPSA-N
HMDB62615,336.23005951,C20H32O4,[H]\C(CCCCC)=C(/[H])\C(\[H])=C(/[H])[C@]([H])(O)C\C([H])=C(\[H])C([H])=C([H])[C@@]([H])(O)CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-9-13-18(21)14-10-8-11-15-19(22)16-12-17-20(23)24/h6-11,13,15,18-19,21-22H,2-5,12,14,16-17H2,1H3,(H,23,24)/b7-6-,10-8-,13-9+,15-11+/t18-,19+/m0/s1",GVBURXXHWSCJSI,ZZHGHEOFSA,N,"5(S),11(R)-DiHETE",GVBURXXHWSCJSI-ZZHGHEOFSA-N
HMDB62616,350.209324066,C20H30O5,[H]\C(C\C([H])=C(\[H])C([H])=C([H])C([H])(O)CC)=C(/[H])C\C([H])=C(\[H])/C(/[H])=C(\[H])[C@]([H])(CCCC(O)=O)OO,"InChI=1S/C20H30O5/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(25-24)16-13-17-20(22)23/h3-4,7-12,14-15,18-19,21,24H,2,5-6,13,16-17H2,1H3,(H,22,23)/b4-3-,9-7-,10-8-,14-11?,15-12+/t18?,19-/m1/s1",JIOJPWROWDJRKM,FIYNLQNCSA,N,(5S)-hydroperoxy-18-hydroxy-EPE,JIOJPWROWDJRKM-FIYNLQNCSA-N
HMDB62617,360.254417539,C22H34NO3,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC([O-])=NCC(O)=O,"InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/p-1/b7-6-,10-9-,13-12-,16-15-",YLEARPUNMCCKMP,DOFZRALJSA,M,N-arachidonoylglycinate,YLEARPUNMCCKMP-DOFZRALJSA-M
HMDB62618,342.204238686,C18H30O6,[H]\C(=C(\[H])[C@@]1([H])[C@]([H])(O)C[C@]([H])(O)[C@]1([H])CC(=O)CCC(O)=O)[C@@]([H])(O)CCCCC,"InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16+,17-/m0/s1",DNKGWNLXBRCUCF,NLOSNHEGSA,N,"2,3-dinor-6-oxoprostaglandin F1alpha",DNKGWNLXBRCUCF-NLOSNHEGSA-N
HMDB62619,336.23005951,C20H32O4,[H]\C(CCCC(O)=O)=C(/[H])CC([H])(O)C(\[H])=C(/[H])[C@]1([H])OC1([H])C\C([H])=C(\[H])CCCCC,"InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18?,19-/m0/s1",SGTUOBURCVMACZ,NSIHWEAISA,N,"(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic Acid",SGTUOBURCVMACZ-NSIHWEAISA-N
HMDB62620,136.037173366,C4H8O5,[H][C@](O)(CO)[C@@]([H])(O)C(O)=O,"InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1",JPIJQSOTBSSVTP,STHAYSLISA,N,L-threonic Acid,JPIJQSOTBSSVTP-STHAYSLISA-N
HMDB62621,587.067686216,C16H23N5O15P2,[H][C@]1(COP([O-])(=O)OP([O-])(=O)O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/p-2/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1",WFPZSXYXPSUOPY,ROYWQJLOSA,L,ADP Alpha-D-glucoside(2-),WFPZSXYXPSUOPY-ROYWQJLOSA-L
HMDB62622,431.85991,C9H8I2NO3,[H][C@](N)(CC1=CC(I)=C([O-])C(I)=C1)C(O)=O,"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/p-1/t7-/m0/s1",NYPYHUZRZVSYKL,ZETCQYMHSA,M,"3,5-diiodo-L-tyrosinate(1-)",NYPYHUZRZVSYKL-ZETCQYMHSA-M
HMDB62623,454.148054972,C20H20N7O6,[H][C@@](CCC([O-])=O)(N=C(O)C1=CC=C(C=C1)[N+]1=CN2C3=C(NC[C@]2([H])C1)NC(=N)N=C3O)C([O-])=O,"InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p-1/t12-,13+/m1/s1",MEANFMOQMXYMCT,OLZOCXBDSA,M,"(6R)-5,10-methenyltetrahydrofolate",MEANFMOQMXYMCT-OLZOCXBDSA-M
HMDB62624,378.09765937,C13H20N3O8S,[H][C@](C)(O)C(=O)SC[C@]([H])(N=C([O-])CC[C@]([H])(N)C(O)=O)C(O)=NCC(O)=O,"InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/p-1/t6-,7+,8+/m1/s1",VDYDCVUWILIYQF,CSMHCCOUSA,M,(R)-S-lactoylglutathionate(1-),VDYDCVUWILIYQF-CSMHCCOUSA-M
HMDB62625,334.071444621,C11H16N3O7S,[H][C@](N)(CCC([O-])=N[C@@]([H])(CSC=O)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/p-1/t6-,7-/m0/s1",FHXAGOICBFGEBF,BQBZGAKWSA,M,S-formylglutathionate(1-),FHXAGOICBFGEBF-BQBZGAKWSA-M
HMDB62626,138.091340431,C8H12NO,[NH3+]CC(O)C1=CC=CC=C1,"InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/p+1",ULSIYEODSMZIPX,UHFFFAOYSA,O,Phenylethanolaminium,ULSIYEODSMZIPX-UHFFFAOYSA-O
HMDB62627,138.019666573,C6H4NO3,[O-]C1=CC=C(C=C1)N(=O)=O,"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/p-1",BTJIUGUIPKRLHP,UHFFFAOYSA,M,4-nitrophenolate,BTJIUGUIPKRLHP-UHFFFAOYSA-M
HMDB62628,255.999516028,C6H9O9P,[H][C@]1(O)C(=O)O[C@]([H])(COP([O-])([O-])=O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-/m1/s1",IJOJIVNDFQSGAB,SQOUGZDYSA,L,"6-O-phosphonato-D-glucono-1,5-lactone(2-)",IJOJIVNDFQSGAB-SQOUGZDYSA-L
HMDB62629,138.091340431,C8H12NO,[NH3+]CCC1=CC=C(O)C=C1,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2/p+1",DZGWFCGJZKJUFP,UHFFFAOYSA,O,Tyraminium,DZGWFCGJZKJUFP-UHFFFAOYSA-O
HMDB62630,945.250975475,C33H54N7O17P3S,[H]\C(CCCCC)=C(/[H])CC\C([H])=C(/[H])C(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,12-13,20-22,26-28,32,43-44H,4-7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,13-12+/t22-,26-,27-,28+,32-/m1/s1",BNPQDIKRZDRREL,GQUYLXGASA,N,"(2-trans,6-cis)-dodeca-2,6-dienoyl-CoA",BNPQDIKRZDRREL-GQUYLXGASA-N
HMDB62631,315.240958547,C17H33NO4,[H][C@@](CC([O-])=O)(C[N+](C)(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3/t15-/m1/s1",LZOSYCMHQXPBFU,OAHLLOKOSA,N,O-decanoyl-L-carnitine,LZOSYCMHQXPBFU-OAHLLOKOSA-N
HMDB62632,476.241018119,C26H36O8,[H]/C(=C(/[H])\C(\C)=C(/[H])C(=O)O[C@]1([H])OC([H])(C(O)=O)[C@@]([H])(O)C([H])(O)C1([H])O)/C(/[H])=C(\C)/C(/[H])=C(\[H])C1=C(C)CCCC1(C)C,"InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20?,21-,22?,23?,25+/m0/s1",MTGFYEHKPMOVNE,PQHKWSGMSA,N,1-O-all-trans-retinoyl-beta-glucuronic Acid,MTGFYEHKPMOVNE-PQHKWSGMSA-N
HMDB62633,1031.360524011,C39H68N7O17P3S,CCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h18-19,26-28,32-34,38,49-50H,4-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b19-18+/t28-,32-,33-,34+,38-/m1/s1",NBCCUIHOHUKBMK,ZDDAFBBHSA,N,Trans-2-octadecenoyl-CoA,NBCCUIHOHUKBMK-ZDDAFBBHSA-N
HMDB62634,162.113018383,C7H16NO3,[H][C@](O)(CC(O)=O)C[N+](C)(C)C,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m0/s1",PHIQHXFUZVPYII,LURJTMIESA,O,(S)-carnitinium,PHIQHXFUZVPYII-LURJTMIESA-O
HMDB62635,152.047344122,C8H8O3,O[C@@H](C(O)=O)C1=CC=CC=C1,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1",IWYDHOAUDWTVEP,SSDOTTSWSA,N,(R)-mandelic Acid,IWYDHOAUDWTVEP-SSDOTTSWSA-N
HMDB62636,424.037142664,C12H18N4O7P2S,CC1=C(CCO[P@](O)(=O)O[P@](O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)",AYEKOFBPNLCAJY,UHFFFAOYSA,N,Thiamine(1+) Diphosphate(1-),AYEKOFBPNLCAJY-UHFFFAOYSA-N
HMDB62637,311.222783058,C18H31O4,[H]\C(CCCCCCCC([O-])=O)=C(/[H])\C(\[H])=C(/[H])C(CCCCC)OO,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,15-12+",JDSRHVWSAMTSSN,BSZOFBHHSA,M,13-HPODE(1-),JDSRHVWSAMTSSN-BSZOFBHHSA-M
HMDB62638,778.70504074,C49H94O6,CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m1/s1",JWVXCFSNEOMSHH,YACUFSJGSA,N,"1-tetradecanoyl-2,3-dihexadecanoyl-sn-glycerol",JWVXCFSNEOMSHH-YACUFSJGSA-N
HMDB62639,830.736340876,C53H98O6,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,50H,4-23,28-49H2,1-3H3/b26-24-,27-25-/t50-/m1/s1",AFLXUGKIZQFJJI,FOQOAFKKSA,N,"1-tetradecanoyl-2,3-dioleoyl-sn-glycerol",AFLXUGKIZQFJJI-FOQOAFKKSA-N
HMDB62640,103.040067665,C4H7O3,CC(CO)C([O-])=O,"InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1",DBXBTMSZEOQQDU,UHFFFAOYSA,M,3-hydroxy-2-isobutyrate,DBXBTMSZEOQQDU-UHFFFAOYSA-M
HMDB62641,221.089937217,C8H15NO6,[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1",MBLBDJOUHNCFQT,LXGUWJNJSA,N,Aldehydo-N-acetyl-D-glucosamine,MBLBDJOUHNCFQT-LXGUWJNJSA-N
HMDB62642,149.009161461,C4H5O6,OC(C(O)C([O-])=O)C(O)=O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-1",FEWJPZIEWOKRBE,UHFFFAOYSA,M,"3-carboxy-2,3-dihydroxypropanoate",FEWJPZIEWOKRBE-UHFFFAOYSA-M
HMDB62643,384.915433831,C5H8O14P3,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(OP([O-])(=O)OP([O-])([O-])=O)O[C@]1([H])COP([O-])([O-])=O,"InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/p-5/t2-,3-,4-,5-/m1/s1",PQGCEDQWHSBAJP,TXICZTDVSA,I,5-O-phosphonato-alpha-D-ribofuranosyl Diphosphate(5-),PQGCEDQWHSBAJP-TXICZTDVSA-I
HMDB62644,247.248140895,C12H31N4O,CC(O)=NCCC[NH2+]CCCC[NH2+]CCC[NH3+],"InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)/p+3",GUNURVWAJRRUAV,UHFFFAOYSA,Q,N(1)-acetylsperminium(3+),GUNURVWAJRRUAV-UHFFFAOYSA-Q
HMDB62645,263.103730551,C13H15N2O4,[H][C@@](CCC([O-])=N)(N=C(O)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t10-/m0/s1",JFLIEFSWGNOPJJ,JTQLQIEISA,M,N(2)-phenylacetyl-L-glutaminate,JFLIEFSWGNOPJJ-JTQLQIEISA-M
HMDB62646,502.957124924,C10H11N5O13P2S,[H][C@]1(COP([O-])(=O)OS([O-])(=O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/p-4/t4-,6-,7-,10-/m1/s1",GACDQMDRPRGCTN,KQYNXXCUSA,J,3'-phosphonato-5'-adenylyl Sulfate(4-),GACDQMDRPRGCTN-KQYNXXCUSA-J
HMDB62647,257.997408026,C6H11O7PS,[H][C@@](O)(CSC)[C@@]([H])(O)C(=O)COP([O-])([O-])=O,"InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/p-2/t5-,6+/m1/s1",CNSJRYUMVMWNMC,RITPCOANSA,L,S-methyl-5-thio-D-ribulose 1-phosphate(2-),CNSJRYUMVMWNMC-RITPCOANSA-L
HMDB62648,943.23751973,C33H52N7O17P3S,[H]\C(CCCCCCCC)=C(/[H])CC(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h11-12,20-22,26-28,32,43-44H,4-10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b12-11-/t22-,26-,27-,28+,32-/m1/s1",XEMIVMKTVGRFTD,REDSNERGSA,J,Cis-dodec-3-enoyl-CoA(4-),XEMIVMKTVGRFTD-REDSNERGSA-J
HMDB62649,288.251429127,C14H32N4O2,CC(O)=NCCC[NH2+]CCCC[NH2+]CCCN=C(C)O,"InChI=1S/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20)/p+2",NPDTUDWGJMBVEP,UHFFFAOYSA,P,"N(1),N(12)-diacetylsperminium(2+)",NPDTUDWGJMBVEP-UHFFFAOYSA-P
HMDB62650,312.060225033,C8H15N3O8P,[H][C@]1(O)[C@@]([H])(O)C([H])(NC(=N)CN=C[O-])O[C@]1([H])COP(O)(O)=O,"InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)/p-1/t4-,6-,7-,8?/m1/s1",PMCOGCVKOAOZQM,ZRTZXPPTSA,M,2-formamido-N(1)-(5-O-phosphonato-D-ribosyl)acetamidine,PMCOGCVKOAOZQM-ZRTZXPPTSA-M
HMDB62651,521.348140016,C26H52NO7P,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(CO)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1",SULIDBRAXVDKBU,PTGWMXDISA,N,2-oleoyl-sn-glycero-3-phosphocholine,SULIDBRAXVDKBU-PTGWMXDISA-N
HMDB62652,296.23514489,C18H32O3,[H]\C(CCCCC)=C(/[H])\C(\[H])=C(/[H])C(O)CCCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",NPDSHTNEKLQQIJ,ZJHFMPGASA,N,"(10E,12Z)-9-HODE",NPDSHTNEKLQQIJ-ZJHFMPGASA-N
HMDB62653,834.525829602,C43H79O13P,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC1([H])[C@]([H])(O)[C@@]([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b13-11-,18-17-/t35-,38?,39-,40+,41-,42-,43?/m1/s1",BSNJSZUDOMPYIR,FJESRZELSA,N,"1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol",BSNJSZUDOMPYIR-FJESRZELSA-N
HMDB62654,134.104430539,C5H14N2O2,[H][C@]([NH3+])(CCC[NH3+])C(O)=O,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+2/t4-/m0/s1",AHLPHDHHMVZTML,BYPYZUCNSA,P,L-ornithinium(2+),AHLPHDHHMVZTML-BYPYZUCNSA-P
HMDB62655,163.040067665,C9H7O3,[H]\C(=C(/[H])C1=CC=CC=C1[O-])C(O)=O,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/p-1/b6-5-",PMOWTIHVNWZYFI,WAYWQWQTSA,M,Cis-2-coumarate,PMOWTIHVNWZYFI-WAYWQWQTSA-M
HMDB62656,279.256214687,C18H33NO,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(O)=N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-",SFIHQZFZMWZOJV,HZJYTTRNSA,N,Linoleamide,SFIHQZFZMWZOJV-HZJYTTRNSA-N
HMDB62657,370.18139524,C19H30O5S,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]([H])(CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14-,15-,16-,18-,19-/m0/s1",ZMITXKRGXGRMKS,LUJOEAJASA,N,Epiandrosterone Sulfate,ZMITXKRGXGRMKS-LUJOEAJASA-N
HMDB62658,295.264253947,C19H35O2,[H]\C(CCCCCCCC)=C(\[H])CCCCCCCCC([O-])=O,"InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/p-1/b10-9+",BBOWBNGUEWHNQZ,MDZDMXLPSA,M,10-nonadecenoate,BBOWBNGUEWHNQZ-MDZDMXLPSA-M
HMDB62659,338.318480592,C22H42O2,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OCCCC,"InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-",WIBFFTLQMKKBLZ,SEYXRHQNSA,N,N-butyl Oleate,WIBFFTLQMKKBLZ-SEYXRHQNSA-N
HMDB62660,161.068807845,C6H11NO4,[H][C@@](CCC(O)=O)(NC)C(O)=O,"InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1",XLBVNMSMFQMKEY,BYPYZUCNSA,N,N-methyl-L-glutamic Acid,XLBVNMSMFQMKEY-BYPYZUCNSA-N
HMDB62661,140.012055769,C6H4O4,[H]C(\C([H])=C(\[H])C([O-])=O)=C([H])C([O-])=O,"InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/p-2/b3-1-,4-2?",TXXHDPDFNKHHGW,PBIXIIOPSA,L,"Cis,trans-muconate",TXXHDPDFNKHHGW-PBIXIIOPSA-L
HMDB62662,1197.423520108,C48H78N7O20P3S,[H]\C(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C)=C(/C)C(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C48H78N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h9,23-25,27-34,36,38-40,44,56-58,60-61H,7-8,10-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/b26-9-/t25-,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",QVDPWQVOSKJUES,IOHLJXMZSA,N,"3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA",QVDPWQVOSKJUES-IOHLJXMZSA-N
HMDB62663,426.261753564,C23H38O7,[H]\C(CCCC(=O)OC(CO)CO)=C(/[H])C[C@@]1([H])[C@]2([H])C[C@@]([H])(OO2)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)CCCCC,"InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21-14-22(20)30-29-21)10-7-4-5-8-11-23(27)28-18(15-24)16-25/h4,7,12-13,17-22,24-26H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-,22+/m0/s1",XWDRGTGPJCBPGC,PKBBWAGBSA,N,Prostaglandin H2 2-glyceryl Ester,XWDRGTGPJCBPGC-PKBBWAGBSA-N
HMDB62664,418.344695341,C27H46O3,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C=C4[C@@]([H])(O)[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)18-9-10-19-24-20(11-13-26(18,19)4)27(5)14-12-22(28)25(30)21(27)15-23(24)29/h15-20,22-25,28-30H,6-14H2,1-5H3/t17-,18-,19+,20+,22+,23-,24+,25-,26-,27-/m1/s1",NEITZYUKMAAGFE,DNPWHXEXSA,N,"4beta,7alpha-dihydroxycholesterol",NEITZYUKMAAGFE-DNPWHXEXSA-N
HMDB62665,704.583225334,C39H81N2O6P,[H][C@@](O)(CCCCCCCCCCCCCCC)[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)N=C(O)CCCCCCCCCCCCCCC,"InChI=1S/C39H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37-38,42H,6-36H2,1-5H3,(H-,40,43,44,45)/t37-,38+/m0/s1",QHZIGNLCLJPLCU,QPPIDDCLSA,N,N-hexadecanoylsphinganine-1-phosphocholine,QHZIGNLCLJPLCU-QPPIDDCLSA-N
HMDB62666,164.104859,C7H16O4,COCCOCCOCCO,"InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3",JLGLQAWTXXGVEM,UHFFFAOYSA,N,Triethylene Glycol Monomethyl Ether,JLGLQAWTXXGVEM-UHFFFAOYSA-N
HMDB62667,115.136099551,C7H17N,CC(C)C(N)C(C)C,"InChI=1S/C7H17N/c1-5(2)7(8)6(3)4/h5-7H,8H2,1-4H3",FATQVQVMXNESGD,UHFFFAOYSA,N,"2,4-dimethylpentan-3-amine",FATQVQVMXNESGD-UHFFFAOYSA-N
HMDB62668,154.172150708,C11H22,CCCCCC(C)CCC=C,"InChI=1S/C11H22/c1-4-6-8-10-11(3)9-7-5-2/h5,11H,2,4,6-10H2,1,3H3",GHCFSQGBRCMQNQ,UHFFFAOYSA,N,5-methyldec-1-ene,GHCFSQGBRCMQNQ-UHFFFAOYSA-N
HMDB62669,199.15722892,C11H21NO2,C=CCCCCCCCCCN(=O)=O,"InChI=1S/C11H21NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2H,1,3-11H2",QSFROPSPQWQTKU,UHFFFAOYSA,N,11-nitro-1-undecene,QSFROPSPQWQTKU-UHFFFAOYSA-N
HMDB62670,154.172150708,C11H22,CCCC1CCCCC1CC,"InChI=1S/C11H22/c1-3-7-11-9-6-5-8-10(11)4-2/h10-11H,3-9H2,1-2H3",NNNKGLVDUYFBHS,UHFFFAOYSA,N,1-ethyl-2-propylcyclohexane,NNNKGLVDUYFBHS-UHFFFAOYSA-N
HMDB62671,140.120115135,C9H16O,CC\C(C)=C(/C)C(C)C=O,"InChI=1S/C9H16O/c1-5-7(2)9(4)8(3)6-10/h6,8H,5H2,1-4H3/b9-7+",BVVNPUJZXVWJAQ,VQHVLOKHSA,N,"(3E)-2,3,4-trimethylhex-3-enal",BVVNPUJZXVWJAQ-VQHVLOKHSA-N
HMDB62672,102.115698459,C5H14N2,CC(C)NCCN,"InChI=1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3",KDRUIMNNZBMLJR,UHFFFAOYSA,N,2-isopropylaminoethylamine,KDRUIMNNZBMLJR-UHFFFAOYSA-N
HMDB62673,143.142247559,C7H17N3,CN1CCN(CCN)CC1,"InChI=1S/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3",GOWUDHPKGOIDIX,UHFFFAOYSA,N,2-(4-methyl-1-piperazinyl)ethanamine,GOWUDHPKGOIDIX-UHFFFAOYSA-N
HMDB62674,402.335393958,C24H50S2,CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC,"InChI=1S/C24H50S2/c1-7-9-11-13-15-17-19-21-23(3,4)25-26-24(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3",LEDIWWJKWAMGLD,UHFFFAOYSA,N,Bis(2-methylundecan-2-yl) Disulfide,LEDIWWJKWAMGLD-UHFFFAOYSA-N
HMDB62675,418.344695341,C27H46O3,[H][C@](O)(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4[C@@]([H])(O)[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C,"InChI=1S/C27H46O3/c1-16(2)23(28)11-6-17(3)19-9-10-20-18-7-8-22-25(30)24(29)13-15-27(22,5)21(18)12-14-26(19,20)4/h8,16-21,23-25,28-30H,6-7,9-15H2,1-5H3/t17-,18+,19-,20+,21+,23+,24+,25-,26-,27-/m1/s1",IWXJGKGAPXGSCN,GCUSXLOISA,N,"4beta,24S-dihydroxycholesterol",IWXJGKGAPXGSCN-GCUSXLOISA-N
HMDB62676,88.016043989,C3H4O3,OC(=C)C(O)=O,"InChI=1S/C3H4O3/c1-2(4)3(5)6/h4H,1H2,(H,5,6)",FEWFXBUNENSNBQ,UHFFFAOYSA,N,2-hydroxyacrylic Acid,FEWFXBUNENSNBQ-UHFFFAOYSA-N
HMDB62677,276.208930142,C18H28O2,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C,"InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13+,14-,15-,16+,17+,18+/m1/s1",RHVBIEJVJWNXBU,XZVKZCCLSA,N,17beta-hydroxy-5beta-estran-3-one,RHVBIEJVJWNXBU-XZVKZCCLSA-N
HMDB62678,453.418194635,C28H55NO3,CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=NCC(O)=O,"InChI=1S/C28H55NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(30)29-26-28(31)32/h2-26H2,1H3,(H,29,30)(H,31,32)",YIUHXZHKDQGNOC,UHFFFAOYSA,N,N-hexacosanoylglycine,YIUHXZHKDQGNOC-UHFFFAOYSA-N
HMDB62679,386.209324066,C23H30O5,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)CC(=O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)CCC1=CC=CC=C1,"InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-21,24-25H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,21-/m0/s1",OAQGPAZDRCBBLD,YTCWWFNZSA,N,"17-phenyl-18,19,20-trinor-prostaglandin D2",OAQGPAZDRCBBLD-YTCWWFNZSA-N
HMDB62680,406.271924324,C24H38O5,[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C,"InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",OEKUSRBIIZNLHZ,DJDNIQJZSA,N,"7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic Acid",OEKUSRBIIZNLHZ-DJDNIQJZSA-N
HMDB62681,1181.428605488,C48H78N7O19P3S,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C48H78N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h9,24-26,28-34,36,38-40,44,56-57,59-60H,7-8,10-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/b27-9+/t26-,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1",SEBZZAWTQNNGPK,RDYMGNODSA,N,"(24E)-3alpha,7alpha-dihydroxy-5beta-cholest-24-en-26-oyl-CoA",SEBZZAWTQNNGPK-RDYMGNODSA-N
HMDB62682,873.159269408,C28H42N7O17P3S,[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)C(C)=CCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C28H46N7O17P3S/c1-5-6-7-16(2)27(40)56-11-10-30-18(36)8-9-31-25(39)22(38)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h7,14-15,17,20-22,26,37-38H,5-6,8-13H2,1-4H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t17-,20-,21-,22+,26-/m1/s1",MIAFVRYGHZDNEJ,TYHXJLICSA,J,2-methylhexenoyl-CoA,MIAFVRYGHZDNEJ-TYHXJLICSA-J
HMDB62683,367.212612298,C20H31O6,[H]\C(CCCC([O-])=O)=C(/[H])C[C@@]1([H])[C@]2([H])C[C@@]([H])(OO2)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)CCCC([H])(C)O,"InChI=1S/C20H32O6/c1-14(21)7-6-8-15(22)11-12-17-16(18-13-19(17)26-25-18)9-4-2-3-5-10-20(23)24/h2,4,11-12,14-19,21-22H,3,5-10,13H2,1H3,(H,23,24)/p-1/b4-2-,12-11+/t14?,15-,16+,17+,18-,19+/m0/s1",MTVPUJQVDLAVML,AHYYGCRPSA,M,19-hydroxyprostaglandin H2(1-),MTVPUJQVDLAVML-AHYYGCRPSA-M
HMDB62684,335.222783058,C20H31O4,[H]\C(C\C([H])=C(\[H])C([H])=C([H])[C@@]([H])(O)CCCC([O-])=O)=C(/[H])C([H])=C([H])[C@]([H])(O)CCCCC,"InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,14-10?,15-11+/t18-,19-/m1/s1",UXGXCGPWGSUMNI,XGASFZMTSA,M,"5(S),15(R)-DiHETE(1-)",UXGXCGPWGSUMNI-XGASFZMTSA-M
HMDB62685,341.212218374,C22H29O3,[H]C(CC)=C([H])CC([H])=C([H])CC(=O)C([H])=C([H])C(\[H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC([O-])=O,"InChI=1S/C22H30O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h3-4,6-7,10-16,19H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/p-1/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16?",CTOFGDVNVOUNPL,NOCJUQARSA,M,14-oxo-DoHE(1-),CTOFGDVNVOUNPL-NOCJUQARSA-M
HMDB62686,432.323959897,C27H44O4,[H]\C(\C(\[H])=C1/CCC[C@@]2(C)[C@@]1([H])CC[C@]2([H])[C@]([H])(C)C[C@]([H])(O)CC(C)(C)O)=C1/C[C@@]([H])(O)C[C@]([H])(O)C1=C,"InChI=1S/C27H44O4/c1-17(13-22(29)16-26(3,4)31)23-10-11-24-19(7-6-12-27(23,24)5)8-9-20-14-21(28)15-25(30)18(20)2/h8-9,17,21-25,28-31H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21-,22+,23-,24+,25+,27-/m1/s1",NHRGJVVEKNHIIE,KWJCNBFNSA,N,"1alpha,23(S),25-trihydroxyvitamin D3",NHRGJVVEKNHIIE-KWJCNBFNSA-N
HMDB62687,336.23005951,C20H32O4,[H]\C(CCCCCO)=C(/[H])C\C([H])=C(\[H])C([H])=C([H])C(O)C\C([H])=C(\[H])CCCC(O)=O,"InChI=1S/C20H32O4/c21-18-14-10-6-4-2-1-3-5-7-11-15-19(22)16-12-8-9-13-17-20(23)24/h1-2,5,7-8,11-12,15,19,21-22H,3-4,6,9-10,13-14,16-18H2,(H,23,24)/b2-1-,7-5-,12-8-,15-11?",AEHUQHOABRTKBQ,NEOQANLTSA,N,"8,20-DiHETE",AEHUQHOABRTKBQ-NEOQANLTSA-N
HMDB62688,336.23005951,C20H32O4,[H]\C(CCCC(O)=O)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C([H])=C([H])C(CCCCC)OO,"InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+",BFWYTORDSFIVKP,USWFWKISSA,N,15-HPETE,BFWYTORDSFIVKP-USWFWKISSA-N
HMDB62689,509.384525525,C26H56NO6P,CCCCCCCCCCCCCCCCCCOCC(O)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3",XKBJVQHMEXMFDZ,UHFFFAOYSA,N,1-octadecylglycero-3-phosphocholine,XKBJVQHMEXMFDZ-UHFFFAOYSA-N
HMDB62690,785.593455181,C44H84NO8P,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1",SNKAWJBJQDLSFF,NVKMUCNASA,N,"1,2-dioleoyl-sn-glycero-3-phosphocholine",SNKAWJBJQDLSFF-NVKMUCNASA-N
HMDB62691,351.217697678,C20H31O5,[H]\C(=C(\[H])[C@@]1([H])[C@]([H])(O)CC(=O)[C@]1([H])CCCCCCC([O-])=O)C(=O)CCCCC,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t16-,17-,19-/m1/s1",VXPBDCBTMSKCKZ,XQHNHVHJSA,M,15-dehydro-prostaglandin E1(1-),VXPBDCBTMSKCKZ-XQHNHVHJSA-M
HMDB62692,197.010021139,C4H8NO6P,[H][C@](N)(CCOP(O)([O-])=O)C([O-])=O,"InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/p-2/t3-/m0/s1",FXDNYOANAXWZHG,VKHMYHEASA,L,O-phosphonato-L-homoserine(2-),FXDNYOANAXWZHG-VKHMYHEASA-L
HMDB62693,62.060040302,C2H8NO,[NH3+]CCO,"InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2/p+1",HZAXFHJVJLSVMW,UHFFFAOYSA,O,Ethanolaminium(1+),HZAXFHJVJLSVMW-UHFFFAOYSA-O
HMDB62694,154.014581193,C6H4NO4,OC1=C([O-])C=CC(=C1)N(=O)=O,"InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H/p-1",XJNPNXSISMKQEX,UHFFFAOYSA,M,2-hydroxy-4-nitrophenolate,XJNPNXSISMKQEX-UHFFFAOYSA-M
HMDB62695,612.132715028,C20H29N4O16P,[H][C@@](O)(CO)[C@@]([H])(O)[C@]1([H])O[C@](C[C@]([H])(O)[C@@]1([H])N=C(C)[O-])(OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)[C@]1([H])O)C([O-])=O,"InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/p-2/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1",TXCIAUNLDRJGJZ,BILDWYJOSA,L,CMP-N-acetyl-beta-neuraminate(2-),TXCIAUNLDRJGJZ-BILDWYJOSA-L
HMDB62696,169.097154087,C8H13N2O2,CC1=C(O)C(C[NH3+])=C(CO)C=N1,"InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3/p+1",NHZMQXZHNVQTQA,UHFFFAOYSA,O,Pyridoxaminium(1+),NHZMQXZHNVQTQA-UHFFFAOYSA-O
HMDB62697,306.076530001,C10H16N3O6S,[H][C@](N)(CCC([O-])=N[C@@]([H])(CS)C(O)=NCC(O)=O)C(O)=O,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1",RWSXRVCMGQZWBV,WDSKDSINSA,M,Glutathionate(1-),RWSXRVCMGQZWBV-WDSKDSINSA-M
HMDB62698,275.12485992,C11H19N2O6,[H][C@](N)(CCCCN[C@@]([H])(CCC([O-])=O)C(O)=O)C(O)=O,"InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/p-1/t7-,8-/m0/s1",ZDGJAHTZVHVLOT,YUMQZZPRSA,M,L-saccharopinate(1-),ZDGJAHTZVHVLOT-YUMQZZPRSA-M
HMDB62699,778.705040747,C49H94O6,[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1",VAYNONGSXQBKMT,DXQCBLCSSA,N,1-hexadecanoyl-2-octadecanoyl-3-dodecanoyl-sn-glycerol,VAYNONGSXQBKMT-DXQCBLCSSA-N
HMDB62700,296.055174185,C9H15NO8P,[H][C@](O)(C([O-])=NCCC([O-])=O)C(C)(C)COP(O)([O-])=O,"InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/p-3/t7-/m0/s1",XHFVGHPGDLDEQO,ZETCQYMHSA,K,(R)-4'-phosphonatopantothenate(3-),XHFVGHPGDLDEQO-ZETCQYMHSA-K
HMDB62701,872.783291069,C56H104O6,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,"InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,53H,4-24,27,30-52H2,1-3H3/b28-25-,29-26-/t53-/m1/s1",ANBFFIILUQJIQL,XFGXVVNZSA,N,"1-heptadecanoyl-2,3-dioleoyl-sn-glycerol",ANBFFIILUQJIQL-XFGXVVNZSA-N
HMDB62702,424.16930973,C16H28N2O11,CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O,"InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m1/s1",CDOJPCSDOXYJJF,CBTAGEKQSA,N,"N,N'-diacetylchitobiose",CDOJPCSDOXYJJF-CBTAGEKQSA-N
HMDB62703,282.255880335,C18H34O2,CCCCCCCCC=CCCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)",ZQPPMHVWECSIRJ,UHFFFAOYSA,N,Octadec-9-enoic Acid,ZQPPMHVWECSIRJ-UHFFFAOYSA-N
HMDB62704,141.019332221,C6H5O4,[H]\C(\C(\[H])=C(/[H])C([O-])=O)=C(\[H])C(O)=O,"InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/p-1/b3-1+,4-2+",TXXHDPDFNKHHGW,ZPUQHVIOSA,M,"(2E,4E)-5-carboxypenta-2,4-dienoate",TXXHDPDFNKHHGW-ZPUQHVIOSA-M
HMDB62705,260.029718997,C6H13O9P,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)OC([H])(OP(O)(O)=O)[C@]1([H])O,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6?/m1/s1",HXXFSFRBOHSIMQ,SVZMEOIVSA,N,D-galactopyranose 1-phosphate,HXXFSFRBOHSIMQ-SVZMEOIVSA-N
HMDB62706,173.009161461,C6H5O6,OCC(O)C1=C([O-])C(=O)C(=O)O1,"InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,7-9H,1H2/p-1",JMMUPWYGEQCUML,UHFFFAOYSA,M,Dehydroascorbide(1-),JMMUPWYGEQCUML-UHFFFAOYSA-M
HMDB62707,182.971110207,C3H4O7P,[H][C@](CO)(OP([O-])([O-])=O)C([O-])=O,"InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/p-3/t2-/m1/s1",GXIURPTVHJPJLF,UWTATZPHSA,K,2-phosphonato-D-glycerate(3-),GXIURPTVHJPJLF-UWTATZPHSA-K
HMDB62708,364.043112172,C10H13N4O9P,[H][C@]1(COP(O)([O-])=O)O[C@@]([H])(N2C=NC(C(N)=O)=C2N=C[O-])[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/p-2/t4-,6-,7-,10-/m1/s1",ABCOOORLYAOBOZ,KQYNXXCUSA,L,5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),ABCOOORLYAOBOZ-KQYNXXCUSA-L
HMDB62709,398.137239006,C15H22N6O5S,[H][C@](N)(CC[S+](C)C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C([O-])=O,"InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1",MEFKEPWMEQBLKI,AIRLBKTGSA,N,S-adenosyl-L-methioninate,MEFKEPWMEQBLKI-AIRLBKTGSA-N
HMDB62710,268.276615774,C18H36O,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCO,"InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-",ALSTYHKOOCGGFT,KTKRTIGZSA,N,(9Z)-octadecen-1-ol,ALSTYHKOOCGGFT-KTKRTIGZSA-N
HMDB62711,519.332489952,C26H50NO7P,[H]C(CCCCC)=C([H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(CO)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9?,13-12-/t25-/m1/s1",LSUXCWJOIAWGOU,FZVXUVPBSA,N,2-linoleoyl-sn-glycero-3-phosphocholine,LSUXCWJOIAWGOU-FZVXUVPBSA-N
HMDB62712,432.323959897,C27H44O4,[H]\C(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=C(\C)C(O)=O,"InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h7,16,18-24,28-29H,5-6,8-15H2,1-4H3,(H,30,31)/b17-7+/t16-,18+,19-,20-,21+,22+,23+,24+,26+,27-/m1/s1",VEEPNZJORQZZNC,FLTYDXKWSA,N,"3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid",VEEPNZJORQZZNC-FLTYDXKWSA-N
HMDB62713,343.272258675,C19H37NO4,CCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3",FUJLYHJROOYKRA,UHFFFAOYSA,N,O-dodecanoylcarnitine,FUJLYHJROOYKRA-UHFFFAOYSA-N
HMDB62714,572.296164016,C25H49O12P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC1([H])[C@]([H])(O)[C@@]([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)/t18-,20?,21-,22+,23-,24-,25?/m1/s1",UOXRPRZMAROFPH,IESLQMLBSA,N,1-hexadecanoyl-sn-glycero-3-phospho-D-myo-inositol,UOXRPRZMAROFPH-IESLQMLBSA-N
HMDB62715,201.064819618,C8H11NO5,[H][C@@](CCCC([O-])=O)(N=C(C)[O-])C(O)=O,"InChI=1S/C8H13NO5/c1-5(10)9-6(8(13)14)3-2-4-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/p-2/t6-/m0/s1",FTTGAAZKBNZDCZ,LURJTMIESA,L,N-acetyl-L-2-aminoadipate(2-),FTTGAAZKBNZDCZ-LURJTMIESA-L
HMDB62716,100.112624453,C6H14N,[NH3+]C1CCCCC1,"InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1",PAFZNILMFXTMIY,UHFFFAOYSA,O,Cyclohexylammonium,PAFZNILMFXTMIY-UHFFFAOYSA-O
HMDB62717,219.110672659,C9H17NO5,CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",GHOKWGTUZJEAQD,ZETCQYMHSA,N,(R)-pantothenic Acid,GHOKWGTUZJEAQD-ZETCQYMHSA-N
HMDB62718,133.097154087,C5H13N2O2,NC(CCC[NH3+])C(O)=O,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1",AHLPHDHHMVZTML,UHFFFAOYSA,O,Ornithinium(1+),AHLPHDHHMVZTML-UHFFFAOYSA-O
HMDB62719,154.038939221,C6H6N2O3,[O-]C(=O)CCC1=C([O-])NC=N1,"InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3,11H,1-2H2,(H,7,8)(H,9,10)/p-2",OWVUGOIAIJBQNX,UHFFFAOYSA,L,"5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide",OWVUGOIAIJBQNX-UHFFFAOYSA-L
HMDB62720,230.061280105,C10H14O4S,CC(C)C1=C(OS(O)(=O)=O)C=C(C)C=C1,"InChI=1S/C10H14O4S/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h4-7H,1-3H3,(H,11,12,13)",NODSEPOUFZPJEQ,UHFFFAOYSA,N,Thymol Sulfate,NODSEPOUFZPJEQ-UHFFFAOYSA-N
HMDB62721,202.029979976,C8H10O4S,CCC1=CC(OS(O)(=O)=O)=CC=C1,"InChI=1S/C8H10O4S/c1-2-7-4-3-5-8(6-7)12-13(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)",DMIBREBMNWKSQY,UHFFFAOYSA,N,3-ethylphenyl Sulfate,DMIBREBMNWKSQY-UHFFFAOYSA-N
HMDB62722,620.296164016,C29H49O12P,[H]C(CCCCC)=C([H])CC([H])=C([H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(=O)OC[C@@]([H])(O)COP(O)(=O)OC1([H])[C@]([H])(O)[C@@]([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)39-20-22(30)21-40-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,15-16,22,24-30,32-36H,2-5,8,11,14,17-21H2,1H3,(H,37,38)/b7-6-,10-9-,13-12?,16-15-/t22-,24?,25-,26+,27-,28-,29?/m1/s1",LXUGKKVCSTYZFK,NAHQOZSVSA,N,1-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol,LXUGKKVCSTYZFK-NAHQOZSVSA-N
HMDB62723,185.084063978,C12H11NO,ONC1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C12H11NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H",MYVLYOJYVMLSFA,UHFFFAOYSA,N,N-hydroxy-4-aminobiphenyl,MYVLYOJYVMLSFA-UHFFFAOYSA-N
HMDB62724,221.089937207,C8H15NO6,[H][C@](O)(CO)[C@]([H])(O)[C@@]([H])(O)[C@]([H])(C=O)N=C(C)O,"InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m0/s1",MBLBDJOUHNCFQT,XAMCCFCMSA,N,Aldehydo-N-acetyl-D-mannosamine,MBLBDJOUHNCFQT-XAMCCFCMSA-N
HMDB62725,332.271530399,C22H36O2,[H]\C(CCCCC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)OCC,"InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3/b9-8-,12-11?,15-14-,18-17-",SNXPWYFWAZVIAU,OKEQBMBXSA,N,Ethyl Arachidonate,SNXPWYFWAZVIAU-OKEQBMBXSA-N
HMDB62726,102.10446507,C6H14O,CCC(C)C(C)O,"InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3",ZXNBBWHRUSXUFZ,UHFFFAOYSA,N,3-methyl-2-pentanol,ZXNBBWHRUSXUFZ-UHFFFAOYSA-N
HMDB62727,296.1001,C12H25I,CCCCCCCCCC(C)CI,"InChI=1S/C12H25I/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12H,3-11H2,1-2H3",RTWBFGUVCAVDFO,UHFFFAOYSA,N,1-iodo-2-methylundecane,RTWBFGUVCAVDFO-UHFFFAOYSA-N
HMDB62728,228.24531565,C15H32O,CC(C)CCCC(C)CCCC(C)CCO,"InChI=1S/C15H32O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-12H2,1-4H3",HDPUXESLSOZSIB,UHFFFAOYSA,N,"3,7,11-trimethyldodecan-1-ol",HDPUXESLSOZSIB-UHFFFAOYSA-N
HMDB62729,178.062994182,C10H10O3,CCOC(=O)C(=O)C1=CC=CC=C1,"InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3",QKLCQKPAECHXCQ,UHFFFAOYSA,N,Ethyl Phenylglyoxylate,QKLCQKPAECHXCQ-UHFFFAOYSA-N
HMDB62730,130.146998588,C7H18N2,CC(C)NCC(C)(C)N,"InChI=1S/C7H18N2/c1-6(2)9-5-7(3,4)8/h6,9H,5,8H2,1-4H3",BVVNMQQFLWWRFT,UHFFFAOYSA,N,"N(1)-isopropyl-2-methylpropan-1,2-diamine",BVVNMQQFLWWRFT-UHFFFAOYSA-N
HMDB62731,384.145992314,C12H36O4Si5,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3",FBZANXDWQAVSTQ,UHFFFAOYSA,N,Dodecamethylpentasiloxane,FBZANXDWQAVSTQ-UHFFFAOYSA-N
HMDB62732,198.234750966,C14H30,CCCCCCCCCCCC(C)C,"InChI=1S/C14H30/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h14H,4-13H2,1-3H3",CJBFZKZYIPBBTO,UHFFFAOYSA,N,2-methyltridecane,CJBFZKZYIPBBTO-UHFFFAOYSA-N
HMDB62733,214.229665586,C14H30O,CCCCCCCCCCCCC(C)O,"InChI=1S/C14H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h14-15H,3-13H2,1-2H3",BRGJIIMZXMWMCC,UHFFFAOYSA,N,Tetradecan-2-ol,BRGJIIMZXMWMCC-UHFFFAOYSA-N
HMDB62734,316.072907417,C12H16N2O6S,[H][C@](N)(CSC1=C(C[C@]([H])(N)C(O)=O)C=CC(O)=C1O)C(O)=O,"InChI=1S/C12H16N2O6S/c13-6(11(17)18)3-5-1-2-8(15)9(16)10(5)21-4-7(14)12(19)20/h1-2,6-7,15-16H,3-4,13-14H2,(H,17,18)(H,19,20)/t6-,7-/m0/s1",IAGPESOLVJAEAG,BQBZGAKWSA,N,2-S-cysteinyl-DOPA,IAGPESOLVJAEAG-BQBZGAKWSA-N
HMDB62735,247.14197278,C11H21NO5,[H]C(C)(O)CC(=O)O[C@]([H])(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m1/s1",UEFRDQSMQXDWTO,YGPZHTELSA,N,(R)-3-hydroxybutyrylcarnitine,UEFRDQSMQXDWTO-YGPZHTELSA-N
HMDB62736,416.329045277,C27H44O3,[H][C@@](C)(CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4[C@@]([H])(O)[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C=O,"InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)20-10-11-21-19-8-9-23-25(30)24(29)13-15-27(23,4)22(19)12-14-26(20,21)3/h9,16-22,24-25,29-30H,5-8,10-15H2,1-4H3/t17-,18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1",MHAIQEGJDLCDNU,KUYJPBLDSA,N,"(25R)-3beta,4beta-dihydroxycholest-5-en-26-al",MHAIQEGJDLCDNU-KUYJPBLDSA-N
HMDB62737,327.240958547,C18H33NO4,[H]\C(CCCCCCCC(O)=O)=C(\CCCCCCCC)N(=O)=O,"InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+",WRADPCFZZWXOTI,BMRADRMJSA,N,(9E)-10-nitrooctadecenoic Acid,WRADPCFZZWXOTI-BMRADRMJSA-N
HMDB62738,327.240958547,C18H33NO4,[H]\C(CCCCCCCC)=C(\CCCCCCCC(O)=O)N(=O)=O,"InChI=1S/C18H33NO4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h14H,2-13,15-16H2,1H3,(H,20,21)/b17-14+",CQOAKBVRRVHWKV,SAPNQHFASA,N,(9E)-9-nitrooctadecenoic Acid,CQOAKBVRRVHWKV-SAPNQHFASA-N
HMDB62739,146.022620453,C5H6O5,CC(C(O)C([O-])=O)C([O-])=O,"InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/p-2",NPYQJIHHTGFBLN,UHFFFAOYSA,L,3-methylmalate(2-),NPYQJIHHTGFBLN-UHFFFAOYSA-L
HMDB62740,1121.37328493,C45H70N7O18P3S,[H][C@@](C)(CCC(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C45H74N7O18P3S/c1-25(29-9-10-30-28-8-7-26-20-27(53)12-15-44(26,4)31(28)13-16-45(29,30)5)6-11-34(55)74-19-18-47-33(54)14-17-48-41(58)38(57)43(2,3)22-67-73(64,65)70-72(62,63)66-21-32-37(69-71(59,60)61)36(56)42(68-32)52-24-51-35-39(46)49-23-50-40(35)52/h23-32,36-38,42,53,56-57H,6-22H2,1-5H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/t25-,26-,27-,28+,29-,30+,31+,32-,36-,37-,38+,42-,44+,45-/m1/s1",MHVCMYOMCROIEL,FYYKUXHTSA,J,Lithocholyl-CoA,MHVCMYOMCROIEL-FYYKUXHTSA-J
HMDB62741,288.172544633,C18H24O3,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])[C@]([H])(O)CC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C,"InChI=1S/C18H24O3/c1-18-7-6-13-12-3-2-11(19)8-10(12)9-15(20)17(13)14(18)4-5-16(18)21/h2-3,8,13-17,19-21H,4-7,9H2,1H3/t13-,14+,15-,16+,17-,18+/m1/s1",CQPNIWHVQNCXHA,HTPGKPQGSA,N,7alpha-hydroxyestradiol,CQPNIWHVQNCXHA-HTPGKPQGSA-N
HMDB62742,390.277009704,C24H38O4,[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C,"InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-21,26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,20+,21+,23+,24-/m1/s1",WMUMZOAFCDOTRW,OVEHVULHSA,N,12alpha-hydroxy-3-oxo-5beta-cholan-24-oic Acid,WMUMZOAFCDOTRW-OVEHVULHSA-N
HMDB62744,388.261359639,C24H36O4,[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h12,14,17-20,22,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1",CFLVYJJIZHNITM,NLXMLWGDSA,N,7alpha-hydroxy-3-oxochol-4-en-24-oic Acid,CFLVYJJIZHNITM-NLXMLWGDSA-N
HMDB62746,369.228262363,C20H33O6,[H]\C(=C(\[H])[C@@]1([H])[C@@]2([H])C[C@]([H])(OO2)[C@]1([H])CCCCCCC([O-])=O)[C@@]([H])(O)CCCC([H])(C)O,"InChI=1S/C20H34O6/c1-14(21)7-6-8-15(22)11-12-17-16(18-13-19(17)26-25-18)9-4-2-3-5-10-20(23)24/h11-12,14-19,21-22H,2-10,13H2,1H3,(H,23,24)/p-1/b12-11+/t14?,15-,16+,17+,18-,19+/m0/s1",WIWFIKCSWKFLRM,UZTSRZBGSA,M,19-hydroxyprostaglandin H1(1-),WIWFIKCSWKFLRM-UZTSRZBGSA-M
HMDB62747,322.250794955,C20H34O3,[H]\C(CCCCC)=C(/[H])C[C@]([H])(O)C(\[H])=C(/[H])\C(\[H])=C(\[H])CCCCCCC(O)=O,"InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h8,10-11,13-14,17,19,21H,2-7,9,12,15-16,18H2,1H3,(H,22,23)/b11-8-,13-10-,17-14+/t19-/m0/s1",YYIXZLMPKIFFGQ,ONNNWOQGSA,N,12(S)-HETrE,YYIXZLMPKIFFGQ-ONNNWOQGSA-N
HMDB62748,368.21988875,C20H32O6,[H]\C(\C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@@]([H])(O)[C@@]([H])(O)CCCC(O)=O)=C(/[H])C([H])=C([H])[C@@]([H])(O)CCCCCO,"InChI=1S/C20H32O6/c21-16-9-5-7-12-17(22)11-6-3-1-2-4-8-13-18(23)19(24)14-10-15-20(25)26/h1-4,6,8,11,13,17-19,21-24H,5,7,9-10,12,14-16H2,(H,25,26)/b3-1-,4-2+,11-6?,13-8+/t17-,18-,19+/m1/s1",JGHYLPPTOXKEKH,MCYSSMQBSA,N,20-hydroxylipoxin A4,JGHYLPPTOXKEKH-MCYSSMQBSA-N
HMDB62749,336.23005951,C20H32O4,[H]\C(C\C([H])=C(\[H])C([H])=C([H])[C@@]([H])(O)CCCC(O)=O)=C(/[H])C([H])=C([H])[C@]([H])(O)CCCCC,"InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10?,15-11+/t18-,19-/m1/s1",UXGXCGPWGSUMNI,XGASFZMTSA,N,"5(S),15(R)-DiHETE",UXGXCGPWGSUMNI-XGASFZMTSA-N
HMDB62750,239.986843342,C6H9O6PS,CSCCC(=O)C(=O)COP([O-])([O-])=O,"InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)/p-2",HKEAOVFNWRDVAJ,UHFFFAOYSA,L,"5-(methylsulfanyl)-2,3-dioxopentyl Phosphate(2-)",HKEAOVFNWRDVAJ-UHFFFAOYSA-L
HMDB62751,200.128119864,C10H18NO3,[H][C@@]12CC[C@@]([H])([NH+]1C)[C@@]([H])(C(=O)OC)[C@@]([H])(O)C2,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/p+1/t6-,7+,8-,9+/m0/s1",QIQNNBXHAYSQRY,UYXSQOIJSA,O,Ecgoninium Methyl Ester(1+),QIQNNBXHAYSQRY-UYXSQOIJSA-O
HMDB62752,162.040795942,C5H8NO5,[H][C@](N)(C[C@@]([H])(O)C(O)=O)C([O-])=O,"InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/p-1/t2-,3+/m0/s1",HBDWQSHEVMSFGY,STHAYSLISA,M,Erythro-4-hydroxy-L-glutamate(1-),HBDWQSHEVMSFGY-STHAYSLISA-M
HMDB62753,845.127969279,C26H38N7O17P3S,[H]\C(C)=C(\C)C(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/b14-5+/t15-,18-,19-,20+,24-/m1/s1",PMWATMXOQQZNBX,DKBZLLMOSA,J,2-methylcrotonoyl-CoA(4-),PMWATMXOQQZNBX-DKBZLLMOSA-J
HMDB62754,288.025730776,C7H13O10P,[H][C@@](O)(COP([O-])([O-])=O)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)C(=O)CO,"InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/p-2/t4-,5-,6-,7+/m1/s1",JDTUMPKOJBQPKX,GBNDHIKLSA,L,Sedoheptulose 7-phosphate(2-),JDTUMPKOJBQPKX-GBNDHIKLSA-L
HMDB62755,362.027462108,C10H11N4O9P,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=C([O-])N=C3[O-])[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p-2/t3-,5-,6-,9-/m1/s1",DCTLYFZHFGENCW,UUOKFMHZSA,L,5'-xanthylate(2-),DCTLYFZHFGENCW-UUOKFMHZSA-L
HMDB62756,335.222783058,C20H31O4,[H]\C(=C(\[H])[C@@]([H])(O)CCCCC)C1=CCC(=O)[C@]1([H])CCCCCCC([O-])=O,"InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)/p-1/b14-12+/t17-,18+/m0/s1",PUIBPGHAXSCVRF,QHFGJBOXSA,M,Prostaglandin C1(1-),PUIBPGHAXSCVRF-QHFGJBOXSA-M
HMDB62757,471.151343204,C20H21N7O7,[H][C@@](CCC([O-])=O)(NC(=O)C1=CC=C(NC[C@@]2([H])CNC3=C(N2C=O)C([O-])=NC(=N)N3)C=C1)C(O)=O,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/p-2/t12-,13-/m0/s1",VVIAGPKUTFNRDU,STQMWFEESA,L,(6S)-5-formyltetrahydrofolate(2-),VVIAGPKUTFNRDU-STQMWFEESA-L
HMDB62758,261.930164644,C3H4O10P2,[H][C@@](O)(COP([O-])([O-])=O)C(=O)OP([O-])([O-])=O,"InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/p-4/t2-/m1/s1",LJQLQCAXBUHEAZ,UWTATZPHSA,J,3-phosphonato-D-glyceroyl Phosphate(4-),LJQLQCAXBUHEAZ-UWTATZPHSA-J
HMDB62759,603.062600836,C16H23N5O16P2,[H][C@]1(COP([O-])(=O)OP(O)(=O)O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3[O-])[C@]([H])(O)[C@]1([H])O,"InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/p-2/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1",MVMSCBBUIHUTGJ,GDJBGNAASA,L,GDP-alpha-D-mannose(2-),MVMSCBBUIHUTGJ-GDJBGNAASA-L
HMDB62760,605.067017513,C17H25N3O17P2,[H][C@]1(COP(O)(=O)OP(O)(=O)O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])N=C(C)[O-])O[C@@]([H])(N2C=CC([O-])=NC2=O)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/p-2/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1",LFTYTUAZOPRMMI,CFRASDGPSA,L,UDP-N-acetyl-alpha-D-glucosamine(2-),LFTYTUAZOPRMMI-CFRASDGPSA-L
HMDB62761,143.896180316,O4Se,[O-][Se]([O-])(=O)=O,"InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2",QYHFIVBSNOWOCQ,UHFFFAOYSA,L,Selenate,QYHFIVBSNOWOCQ-UHFFFAOYSA-L
HMDB62762,175.119500744,C6H15N4O2,N[C@@H](CCCNC(N)=[NH2+])C(O)=O,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1",ODKSFYDXXFIFQN,BYPYZUCNSA,O,L-argininium(1+),ODKSFYDXXFIFQN-BYPYZUCNSA-O
HMDB62763,204.187800773,C15H24,[H]\C(CCC(=C)C=C)=C(\C)CCC=C(C)C,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+",JSNRRGGBADWTMC,NTCAYCPXSA,N,Trans-beta-farnesene,JSNRRGGBADWTMC-NTCAYCPXSA-N
HMDB62764,174.100442324,C7H14N2O3,[H][C@](N)(CCC(O)=NCC)C(O)=O,"InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1",DATAGRPVKZEWHA,YFKPBYRVSA,N,N(5)-ethyl-L-glutamine,DATAGRPVKZEWHA-YFKPBYRVSA-N
HMDB62765,120.057514878,C8H8O,C1OC1C1=CC=CC=C1,"InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2",AWMVMTVKBNGEAK,UHFFFAOYSA,N,Styrene Oxide,AWMVMTVKBNGEAK-UHFFFAOYSA-N
HMDB62766,197.127660123,C8H15N5O,CCNC1=NC(O)=NC(NC(C)C)=N1,"InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)",NFMIMWNQWAWNDW,UHFFFAOYSA,N,"4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol",NFMIMWNQWAWNDW-UHFFFAOYSA-N
HMDB62767,128.071702146,C6H10NO2,[H][C@@]1(CCCCN1)C([O-])=O,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/p-1/t5-/m1/s1",HXEACLLIILLPRG,RXMQYKEDSA,M,D-pipecolate,HXEACLLIILLPRG-RXMQYKEDSA-M
HMDB62768,1250.536269706,C53H92N2O27P2,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CCC([H])(C)CCOP(O)(=O)OP(O)(=O)O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O)=C(\C)CCC=C(C)C,"InChI=1S/C53H92N2O27P2/c1-27(2)13-9-14-28(3)15-10-16-29(4)17-11-18-30(5)19-12-20-31(6)21-22-73-83(69,70)82-84(71,72)81-51-39(55-33(8)61)43(65)47(37(26-59)77-51)78-50-38(54-32(7)60)42(64)48(36(25-58)76-50)79-53-46(68)49(41(63)35(24-57)75-53)80-52-45(67)44(66)40(62)34(23-56)74-52/h13,15,17,19,31,34-53,56-59,62-68H,9-12,14,16,18,20-26H2,1-8H3,(H,54,60)(H,55,61)(H,69,70)(H,71,72)/b28-15+,29-17+,30-19+/t31?,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47-,48-,49+,50+,51-,52-,53+/m1/s1",LXNPFZYOWOXRQK,WPFSCCOBSA,N,Alpha-D-mannosyl-beta-D-mannosyldiacetylchitobiosyldiphosphodolichol,LXNPFZYOWOXRQK-WPFSCCOBSA-N
HMDB62769,113.084063979,C6H11NO,O=C1CCCCCN1,"InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)",JBKVHLHDHHXQEQ,UHFFFAOYSA,N,Epsilon-caprolactam,JBKVHLHDHHXQEQ-UHFFFAOYSA-N
HMDB62770,344.198759384,C21H28O4,CCCCCC1=CC(O)=C2C3C=C(CCC3C(C)(C)OC2=C1)C(O)=O,"InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)",YOVRGSHRZRJTLZ,UHFFFAOYSA,N,11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol,YOVRGSHRZRJTLZ-UHFFFAOYSA-N
HMDB62771,858.525829602,C45H79O13P,[H]C(CCCCC)=C([H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OC1([H])[C@]([H])(O)[C@@]([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,"InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40-45,48-52H,3-10,15-16,21-36H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-/t37-,40?,41-,42+,43-,44-,45?/m1/s1",JTPRPYYVVJBCFF,NCGFHHSNSA,N,"1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol",JTPRPYYVVJBCFF-NCGFHHSNSA-N
HMDB62772,425.350508997,C25H47NO4,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12-",IPOLTUVFXFHAHI,SEYXRHQNSA,N,O-oleoylcarnitine,IPOLTUVFXFHAHI-SEYXRHQNSA-N
HMDB62773,180.078644246,C10H12O3,[H]\C(CO)=C(\[H])CCC#C\C([H])=C(/[H])C(O)=O,"InChI=1S/C10H12O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5-8,11H,1,3,9H2,(H,12,13)/b7-5+,8-6+",YKLIFQPPZZVFPR,KQQUZDAGSA,N,"10-hydroxy-(2E,8E)-decadien-4-ynoic Acid",YKLIFQPPZZVFPR-KQQUZDAGSA-N
HMDB62774,163.040067665,C9H7O3,[H]\C(=C(\[H])C1=CC([O-])=CC=C1)C(O)=O,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/p-1/b5-4+",KKSDGJDHHZEWEP,SNAWJCMRSA,M,Trans-3-coumarate,KKSDGJDHHZEWEP-SNAWJCMRSA-M
HMDB62775,200.014329912,C8H8O4S,OS(=O)(=O)OC1=CC=C(C=C)C=C1,"InChI=1S/C8H8O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h2-6H,1H2,(H,9,10,11)",IETVQHUKTKKBFF,UHFFFAOYSA,N,4-vinylphenol Sulfate,IETVQHUKTKKBFF-UHFFFAOYSA-N
HMDB62776,239.092497163,C12H15O5,CCCC1=C(C)C(C(O)=O)=C(CCC([O-])=O)O1,"InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)/p-1",WMCQWXZMVIETAO,UHFFFAOYSA,M,3-carboxy-4-methyl-5-propyl-2-furanpropanoate,WMCQWXZMVIETAO-UHFFFAOYSA-M
HMDB62777,600.327464145,C27H53O12P,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OC1([H])[C@]([H])(O)[C@@]([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/t20-,22?,23-,24+,25-,26-,27?/m1/s1",MXAFDFDAIFZFET,QIEOIKHQSA,N,1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol,MXAFDFDAIFZFET-QIEOIKHQSA-N
HMDB62778,126.056052082,C6H8NO2,[O-]C(=O)C1=NCCCC1,"InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)/p-1",GEJXSVNGWOSZPC,UHFFFAOYSA,M,1-piperideine-2-carboxylate,GEJXSVNGWOSZPC-UHFFFAOYSA-M
HMDB62779,442.1661391,C21H30O8S,[H][C@@]12CC[C@](O)(C(=O)COS(O)(=O)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",JOVLCJDINAUYJW,VWUMJDOOSA,N,Cortisol 21-sulfate,JOVLCJDINAUYJW-VWUMJDOOSA-N
HMDB62780,330.219494826,C21H30O3,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(C)=O,"InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1",DJPZSBANTAQNFN,PXQJOHHUSA,N,Testosterone Acetate,DJPZSBANTAQNFN-PXQJOHHUSA-N
HMDB62781,144.005873238,C5H4O5,[O-]C(=O)CCC(=O)C([O-])=O,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-2",KPGXRSRHYNQIFN,UHFFFAOYSA,L,2-oxoglutarate(2-),KPGXRSRHYNQIFN-UHFFFAOYSA-L
HMDB62782,318.255880335,C21H34O2,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1",AURFZBICLPNKBZ,YZRLXODZSA,N,3alpha-hydroxy-5beta-pregnan-20-one,AURFZBICLPNKBZ-YZRLXODZSA-N
HMDB62783,193.03537621,C6H9O7,[H][C@](O)(C=O)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/p-1/t2-,3+,4-,5+/m0/s1",IAJILQKETJEXLJ,SKNVOMKLSA,M,Aldehydo-L-iduronate,IAJILQKETJEXLJ-SKNVOMKLSA-M
HMDB62784,280.240230268,C18H32O2,[H]\C(CCCCCCCCCCCCC)=C(\[H])/C(/[H])=C(\[H])C(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)/b15-14+,17-16+",ADHNUPOJJCKWRT,JLXBFWJWSA,N,Octadecadienoate,ADHNUPOJJCKWRT-JLXBFWJWSA-N
HMDB62785,261.121237336,C11H19NO6,[H]C(C)(C([O-])=O)C(=O)O[C@]([H])(CC(O)=O)C[N+](C)(C)C,"InChI=1S/C11H19NO6/c1-7(10(15)16)11(17)18-8(5-9(13)14)6-12(2,3)4/h7-8H,5-6H2,1-4H3,(H-,13,14,15,16)/t7?,8-/m1/s1",XROYFEWIXXCPAW,BRFYHDHCSA,N,O-methylmalonyl-L-carnitine,XROYFEWIXXCPAW-BRFYHDHCSA-N
HMDB62786,168.187800773,C12H24,CC(C)CC(C)CC(C)CC=C,"InChI=1S/C12H24/c1-6-7-11(4)9-12(5)8-10(2)3/h6,10-12H,1,7-9H2,2-5H3",MYYALSDXVMCKSR,UHFFFAOYSA,N,"4,6,8-trimethyl-1-nonene",MYYALSDXVMCKSR-UHFFFAOYSA-N
HMDB62787,296.344301417,C21H44,CCC(C)CCCCC(C)CCCC(C)CCCC(C)C,"InChI=1S/C21H44/c1-7-19(4)13-8-9-14-20(5)16-11-17-21(6)15-10-12-18(2)3/h18-21H,7-17H2,1-6H3",ZZEQNXPBKOFTBG,UHFFFAOYSA,N,"2,6,10,15-tetramethylheptadecane",ZZEQNXPBKOFTBG-UHFFFAOYSA-N
HMDB62788,158.094294311,C8H14O3,CC(C)C(=O)OC(=O)C(C)C,"InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3",LSACYLWPPQLVSM,UHFFFAOYSA,N,Isobutyric Acid Anhydride,LSACYLWPPQLVSM-UHFFFAOYSA-N
HMDB62789,116.094963014,C5H12N2O,CN(C)C(=O)N(C)C,InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3,AVQQQNCBBIEMEU,UHFFFAOYSA,N,"1,1,3,3-tetramethylurea",AVQQQNCBBIEMEU-UHFFFAOYSA-N
HMDB62790,212.25040103,C15H32,CCC(C)CCC(C)CCCCC(C)C,"InChI=1S/C15H32/c1-6-14(4)11-12-15(5)10-8-7-9-13(2)3/h13-15H,6-12H2,1-5H3",JCJGCZBSINPZAJ,UHFFFAOYSA,N,"2,7,10-trimethyldodecane",JCJGCZBSINPZAJ-UHFFFAOYSA-N
HMDB62791,332.123486438,C22H20OS,O=S(CC1C(C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H20OS/c23-24(19-14-8-3-9-15-19)16-20-21(17-10-4-1-5-11-17)22(20)18-12-6-2-7-13-18/h1-15,20-22H,16H2",MVULGCSHGFLUBH,UHFFFAOYSA,N,"(2,3-diphenylcyclopropyl)methyl Phenyl Sulfoxide",MVULGCSHGFLUBH-UHFFFAOYSA-N
HMDB62792,100.088815006,C6H12O,[H][C@]1(C)O[C@@]1([H])CCC,"InChI=1S/C6H12O/c1-3-4-6-5(2)7-6/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1",LIESJAYIOKBLIL,RITPCOANSA,N,"(2R,3S)-2-methyl-3-propyloxirane",LIESJAYIOKBLIL-RITPCOANSA-N
HMDB62793,238.041213364,C10H10N2O3S,NC(CC1=CC(O)=C2N=CSC2=C1)C(O)=O,"InChI=1S/C10H10N2O3S/c11-6(10(14)15)1-5-2-7(13)9-8(3-5)16-4-12-9/h2-4,6,13H,1,11H2,(H,14,15)",UMUZRISCJNWXTN,UHFFFAOYSA,N,6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole,UMUZRISCJNWXTN-UHFFFAOYSA-N
HMDB62794,431.316683445,C27H43O4,[H][C@@](C)(CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4[C@@]([H])(O)[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C([O-])=O,"InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)19-10-11-20-18-8-9-22-24(29)23(28)13-15-27(22,4)21(18)12-14-26(19,20)3/h9,16-21,23-24,28-29H,5-8,10-15H2,1-4H3,(H,30,31)/p-1/t16-,17-,18+,19-,20+,21+,23+,24-,26-,27-/m1/s1",YKGKKDOYGJEANO,ZOQSZFPJSA,M,"(25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-)",YKGKKDOYGJEANO-ZOQSZFPJSA-M
HMDB62795,190.05897143,C6H10N2O5,OC(=O)CCC(NC(O)=N)C(O)=O,"InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)",LCQLHJZYVOQKHU,UHFFFAOYSA,N,N-carbamoylglutamic Acid,LCQLHJZYVOQKHU-UHFFFAOYSA-N
HMDB62797,349.202047614,C20H29O5,[H]\C(C\C([H])=C(\[H])C([H])=C([H])C([H])(O)CC)=C(/[H])C\C([H])=C(\[H])/C(/[H])=C(\[H])[C@]([H])(CCCC([O-])=O)OO,"InChI=1S/C20H30O5/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(25-24)16-13-17-20(22)23/h3-4,7-12,14-15,18-19,21,24H,2,5-6,13,16-17H2,1H3,(H,22,23)/p-1/b4-3-,9-7-,10-8-,14-11?,15-12+/t18?,19-/m1/s1",JIOJPWROWDJRKM,FIYNLQNCSA,M,(5S)-hydroperoxy-18-hydroxy-EPE(1-),JIOJPWROWDJRKM-FIYNLQNCSA-M
HMDB62798,352.22497413,C20H32O5,[H]\C(C\C([H])=C(\[H])C([H])=C([H])C(CCCC(O)=O)OO)=C(/[H])C([H])=C([H])C(O)CCCCC,"InChI=1S/C20H32O5/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(25-24)16-12-17-20(22)23/h5-8,10-11,14-15,18-19,21,24H,2-4,9,12-13,16-17H2,1H3,(H,22,23)/b7-5-,8-6-,14-10?,15-11+",AZHSPOPOMNJPFD,HRIRBLAHSA,N,5-hydroperoxy-15-HETE,AZHSPOPOMNJPFD-HRIRBLAHSA-N
HMDB62799,156.9964274,C3H8ClNO2S,Cl.[H][C@](N)(CS)C(O)=O,"InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1",IFQSXNOEEPCSLW,DKWTVANSSA,N,L-cysteine Hydrochloride,IFQSXNOEEPCSLW-DKWTVANSSA-N
HMDB62800,273.00280426,C6H10O10P,[H][C@@](O)(COP([O-])([O-])=O)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/p-3/t2-,3-,4+,5-/m1/s1",BIRSGZKFKXLSJQ,SQOUGZDYSA,K,6-phosphonatooxy-D-gluconate,BIRSGZKFKXLSJQ-SQOUGZDYSA-K
HMDB62801,511.261470998,C26H41NO7S,[H][C@@](C)(CCC([O-])=NCC([O-])=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/p-2/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1",FHXBAFXQVZOILS,OETIFKLTSA,L,Sulfoglycolithocholate(2-),FHXBAFXQVZOILS-OETIFKLTSA-L
HMDB62802,114.006541932,C3H2N2O3,OC1=NC(=O)NC1=O,"InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)",ZFLIKDUSUDBGCD,UHFFFAOYSA,N,Parabanic Acid,ZFLIKDUSUDBGCD-UHFFFAOYSA-N
HMDB62803,191.019726145,C6H7O7,[H][C@](O)(CO)[C@@]([H])(O)C(=O)C(=O)C([O-])=O,"InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/p-1/t2-,3+/m0/s1",GJQWCDSAOUMKSE,STHAYSLISA,M,"2,3-diketogulonate",GJQWCDSAOUMKSE-STHAYSLISA-M
HMDB62804,192.030231257,C9H6NO4,[H][C@]1(CC2=CC(=O)C(=O)C=C2N1)C([O-])=O,"InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)/p-1/t6-/m0/s1",VJNCICVKUHKIIV,LURJTMIESA,M,L-dopachromate,VJNCICVKUHKIIV-LURJTMIESA-M
HMDB62805,562.060105754,C16H24N2O16P2,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP([O-])(=O)OP(O)(=O)O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)N1C=C(C)C([O-])=NC1=O,"InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/p-2/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1",YSYKRGRSMLTJNL,URARBOGNSA,L,DTDP-alpha-D-glucose(2-),YSYKRGRSMLTJNL-URARBOGNSA-L
HMDB62806,443.156428584,C19H21N7O6,[H][C@@](CCC([O-])=O)(NC(=O)C1=CC=C(NC[C@@]2([H])CNC3=C(N2)C([O-])=NC(=N)N3)C=C1)C(O)=O,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/p-2/t11-,12-/m0/s1",MSTNYGQPCMXVAQ,RYUDHWBXSA,L,"(6S)-5,6,7,8-tetrahydrofolate(2-)",MSTNYGQPCMXVAQ-RYUDHWBXSA-L
HMDB62807,300.289705888,C18H38NO2,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@@]([H])([NH3+])CO,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/p+1/b15-14+/t17-,18+/m0/s1",WWUZIQQURGPMPG,KRWOKUGFSA,O,Sphingosine(1+),WWUZIQQURGPMPG-KRWOKUGFSA-O
HMDB62808,152.106990495,C9H14NO,C[NH2+]CC(O)C1=CC=CC=C1,"InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3/p+1",ZCTYHONEGJTYQV,UHFFFAOYSA,O,N-methylphenylethanolaminium,ZCTYHONEGJTYQV-UHFFFAOYSA-O
HMDB62809,147.113352734,C6H15N2O2,[H][C@](N)(CCCC[NH3+])C(O)=O,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1",KDXKERNSBIXSRK,YFKPBYRVSA,O,L-lysinium(1+),KDXKERNSBIXSRK-YFKPBYRVSA-O
HMDB62810,136.052429498,C8H8O2,CC1=CC=CC(=C1)C(O)=O,"InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)",GPSDUZXPYCFOSQ,UHFFFAOYSA,N,M-toluic Acid,GPSDUZXPYCFOSQ-UHFFFAOYSA-N
HMDB62811,167.094628663,C9H13NO2,CNC[C@H](O)C1=CC=C(O)C=C1,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1",YRCWQPVGYLYSOX,VIFPVBQESA,N,D-synephrine,YRCWQPVGYLYSOX-VIFPVBQESA-N
HMDB62812,131.046215673,C4H7N2O3,OC(=N)NCCC([O-])=O,"InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)/p-1",JSJWCHRYRHKBBW,UHFFFAOYSA,M,N-carbamoyl-beta-alaninate,JSJWCHRYRHKBBW-UHFFFAOYSA-M
HMDB62813,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-5-7-9-11-13-15-17-19-21-23-27-32-36-40-44-48-52-56-63(66)69-60(57-67-61(64)54-50-46-42-38-34-30-26-22-20-18-16-14-12-10-8-6-2)58-68-62(65)55-51-47-43-39-35-31-28-24-25-29-33-37-41-45-49-53-59(3)4/h59-60H,5-58H2,1-4H3/t60-/m0/s1",KABHUIQJABCMKN,WDLSKMLESA,N,TG(19:0/20:0/i-21:0),KABHUIQJABCMKN-WDLSKMLESA-N
HMDB62814,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C53H102O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-33-38-43-51(54)57-46-50(59-53(56)45-40-35-30-29-32-37-42-49(4)5)47-58-52(55)44-39-34-28-25-22-19-18-20-23-26-31-36-41-48(2)3/h48-50H,6-47H2,1-5H3/t50-/m0/s1",UIYVVYGMDRLNNS,DPDRHGIRSA,N,TG(20:0/i-12:0/i-18:0),UIYVVYGMDRLNNS-DPDRHGIRSA-N
HMDB62815,904.845891326,C58H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C58H112O6/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-28-33-38-43-48-56(59)62-51-55(64-58(61)50-45-40-35-30-25-27-32-37-42-47-54(4)5)52-63-57(60)49-44-39-34-29-24-21-18-17-19-22-26-31-36-41-46-53(2)3/h53-55H,6-52H2,1-5H3/t55-/m1/s1",DIWKCCICCVLFNC,KZRJWCEASA,N,TG(i-20:0/i-15:0/20:0),DIWKCCICCVLFNC-KZRJWCEASA-N
HMDB62816,722.642440489,C45H86O6,[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C45H86O6/c1-5-7-9-11-12-13-18-23-26-30-34-38-45(48)51-42(39-49-43(46)36-32-27-10-8-6-2)40-50-44(47)37-33-29-25-22-20-17-15-14-16-19-21-24-28-31-35-41(3)4/h41-42H,5-40H2,1-4H3/t42-/m1/s1",ZCPUATPXNLCCKH,HUESYALOSA,N,TG(i-20:0/14:0/8:0),ZCPUATPXNLCCKH-HUESYALOSA-N
HMDB62817,988.939791713,C64H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C64H124O6/c1-7-60(6)52-46-40-34-28-24-25-31-37-43-49-55-64(67)70-61(57-69-63(66)54-48-42-36-30-23-19-15-14-17-21-27-33-39-45-51-59(4)5)56-68-62(65)53-47-41-35-29-22-18-13-11-9-8-10-12-16-20-26-32-38-44-50-58(2)3/h58-61H,7-57H2,1-6H3/t60?,61-/m1/s1",JWDJOQMOUYJKBK,MBLVYYNZSA,N,TG(i-20:0/a-17:0/i-24:0)[rac],JWDJOQMOUYJKBK-MBLVYYNZSA-N
HMDB62818,834.767641004,C53H102O6,[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C53H102O6/c1-6-7-8-9-26-33-38-43-51(54)57-46-50(59-53(56)45-40-35-30-25-21-17-13-11-15-19-23-28-32-37-42-49(4)5)47-58-52(55)44-39-34-29-24-20-16-12-10-14-18-22-27-31-36-41-48(2)3/h48-50H,6-47H2,1-5H3/t50-/m1/s1",LUNDQWCFTWOBQR,VCZQVZGSSA,N,TG(i-20:0/i-20:0/10:0),LUNDQWCFTWOBQR-VCZQVZGSSA-N
HMDB62819,904.845891326,C58H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-26-31-35-39-43-47-51-58(61)64-55(52-62-56(59)49-45-41-37-33-28-16-14-12-10-8-6-2)53-63-57(60)50-46-42-38-34-30-27-24-25-29-32-36-40-44-48-54(3)4/h54-55H,5-53H2,1-4H3/t55-/m1/s1",TWVAZBWUPBKWMB,KZRJWCEASA,N,TG(i-19:0/22:0/14:0),TWVAZBWUPBKWMB-KZRJWCEASA-N
HMDB62820,946.89284152,C61H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C61H118O6/c1-7-57(6)49-43-37-31-25-21-17-12-10-8-9-11-13-18-22-26-32-38-44-50-59(62)65-53-58(67-61(64)52-46-40-34-28-30-36-42-48-56(4)5)54-66-60(63)51-45-39-33-27-23-19-15-14-16-20-24-29-35-41-47-55(2)3/h55-58H,7-54H2,1-6H3/t57?,58-/m1/s1",OWAKRIYELUFBTO,YWDKKUBGSA,N,TG(i-20:0/i-13:0/a-25:0)[rac],OWAKRIYELUFBTO-YWDKKUBGSA-N
HMDB62821,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C52H100O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-32-37-42-50(53)56-45-49(46-57-51(54)43-38-33-29-24-26-31-36-41-48(4)5)58-52(55)44-39-34-28-23-20-19-21-25-30-35-40-47(2)3/h47-49H,6-46H2,1-5H3/t49-/m0/s1",DGFCMCGDZRNNDG,GGCSAXROSA,N,TG(20:0/i-16:0/i-13:0),DGFCMCGDZRNNDG-GGCSAXROSA-N
HMDB62822,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C56H108O6/c1-6-7-8-9-10-11-12-13-14-15-20-23-26-33-38-43-48-56(59)62-53(50-61-55(58)47-42-37-32-28-27-30-35-40-45-52(4)5)49-60-54(57)46-41-36-31-25-22-19-17-16-18-21-24-29-34-39-44-51(2)3/h51-53H,6-50H2,1-5H3/t53-/m0/s1",OZOIWQXPWSCKPS,DTSDQNDWSA,N,TG(i-20:0/19:0/i-14:0),OZOIWQXPWSCKPS-DTSDQNDWSA-N
HMDB62823,862.798941133,C55H106O6,[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-19-21-23-25-27-28-30-32-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-29-26-24-22-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m1/s1",XOOXLCQHVKWYEJ,OIVUAWODSA,N,TG(19:0/21:0/12:0),XOOXLCQHVKWYEJ-OIVUAWODSA-N
HMDB62824,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C61H118O6/c1-6-7-8-9-10-11-12-13-14-15-18-21-26-31-36-41-46-51-59(62)65-54-58(67-61(64)53-48-43-38-33-28-23-25-30-35-40-45-50-57(4)5)55-66-60(63)52-47-42-37-32-27-22-19-16-17-20-24-29-34-39-44-49-56(2)3/h56-58H,6-55H2,1-5H3/t58-/m0/s1",JYRCHARQHXIGBB,XKJQNMSGSA,N,TG(20:0/i-17:0/i-21:0),JYRCHARQHXIGBB-XKJQNMSGSA-N
HMDB62825,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C59H114O6/c1-7-55(6)47-41-35-29-23-19-20-25-31-37-43-49-58(61)64-52-56(65-59(62)50-44-38-32-26-18-14-10-12-16-22-28-34-40-46-54(4)5)51-63-57(60)48-42-36-30-24-17-13-9-8-11-15-21-27-33-39-45-53(2)3/h53-56H,7-52H2,1-6H3/t55?,56-/m0/s1",KYOPLORLMUGZLI,POGSWUJUSA,N,TG(i-20:0/i-19:0/a-17:0),KYOPLORLMUGZLI-POGSWUJUSA-N
HMDB62826,946.89284152,C61H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C61H118O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-22-25-31-36-41-46-51-59(62)65-54-58(67-61(64)53-48-43-38-33-28-27-30-35-40-45-50-57(5)7-2)55-66-60(63)52-47-42-37-32-26-23-20-19-21-24-29-34-39-44-49-56(3)4/h56-58H,6-55H2,1-5H3/t57?,58-/m1/s1",FPXFGJQDGGBEJA,YWDKKUBGSA,N,TG(i-20:0/a-17:0/21:0),FPXFGJQDGGBEJA-YWDKKUBGSA-N
HMDB62827,792.720690811,C50H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C50H96O6/c1-44(2)36-30-24-18-13-11-9-7-8-10-12-14-21-27-33-39-48(51)54-42-47(43-55-49(52)40-34-28-23-17-20-26-32-38-46(5)6)56-50(53)41-35-29-22-16-15-19-25-31-37-45(3)4/h44-47H,7-43H2,1-6H3/t47-/m0/s1",YNFKTTAQSGHJJG,MFERNQICSA,N,TG(i-20:0/i-14:0/i-13:0),YNFKTTAQSGHJJG-MFERNQICSA-N
HMDB62828,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C58H112O6/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-28-33-38-43-48-56(59)62-51-55(64-58(61)50-45-40-35-30-25-24-27-32-37-42-47-54(4)5)52-63-57(60)49-44-39-34-29-23-20-17-18-21-26-31-36-41-46-53(2)3/h53-55H,6-52H2,1-5H3/t55-/m0/s1",MFNQKKDOKMZORA,GNFJTHHVSA,N,TG(20:0/i-16:0/i-19:0),MFNQKKDOKMZORA-GNFJTHHVSA-N
HMDB62829,848.783291069,C54H104O6,[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C54H104O6/c1-6-7-8-9-10-22-29-34-39-44-52(55)58-47-51(60-54(57)46-41-36-31-26-21-17-13-15-19-24-28-33-38-43-50(4)5)48-59-53(56)45-40-35-30-25-20-16-12-11-14-18-23-27-32-37-42-49(2)3/h49-51H,6-48H2,1-5H3/t51-/m1/s1",KWWUOUVOQXIIRP,NLXJDERGSA,N,TG(i-20:0/i-19:0/12:0),KWWUOUVOQXIIRP-NLXJDERGSA-N
HMDB62830,764.689390682,C48H92O6,[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C48H92O6/c1-5-7-9-11-13-15-24-29-33-37-41-48(51)54-45(42-52-46(49)39-35-31-27-22-14-12-10-8-6-2)43-53-47(50)40-36-32-28-25-21-19-17-16-18-20-23-26-30-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m1/s1",HQERMKCVTFNPAR,WBVITSLISA,N,TG(i-20:0/13:0/12:0),HQERMKCVTFNPAR-WBVITSLISA-N
HMDB62831,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C52H100O6/c1-46(2)38-32-26-20-14-11-9-7-8-10-12-16-23-29-35-41-50(53)56-44-49(58-52(55)43-37-31-25-19-18-22-28-34-40-48(5)6)45-57-51(54)42-36-30-24-17-13-15-21-27-33-39-47(3)4/h46-49H,7-45H2,1-6H3/t49-/m0/s1",UYBDWGRTLCOZNQ,GGCSAXROSA,N,TG(i-20:0/i-14:0/i-15:0),UYBDWGRTLCOZNQ-GGCSAXROSA-N
HMDB62832,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C56H108O6/c1-6-8-9-10-11-12-13-14-15-16-17-21-24-27-30-36-41-46-54(57)60-49-53(62-56(59)48-43-38-33-32-35-40-45-52(5)7-2)50-61-55(58)47-42-37-31-28-25-22-19-18-20-23-26-29-34-39-44-51(3)4/h51-53H,6-50H2,1-5H3/t52?,53-/m0/s1",JXHMEMROUSTVCB,FMZUJJTGSA,N,TG(20:0/a-13:0/i-20:0),JXHMEMROUSTVCB-FMZUJJTGSA-N
HMDB62833,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C64H124O6/c1-5-7-9-11-13-15-17-19-21-23-24-25-27-33-37-41-45-49-53-57-64(67)70-61(58-68-62(65)55-51-47-43-39-35-31-26-22-20-18-16-14-12-10-8-6-2)59-69-63(66)56-52-48-44-40-36-32-29-28-30-34-38-42-46-50-54-60(3)4/h60-61H,5-59H2,1-4H3/t61-/m0/s1",AWXNWMYOUQULSZ,WMNDHARXSA,N,TG(19:0/22:0/i-20:0),AWXNWMYOUQULSZ-WMNDHARXSA-N
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HMDB63068,876.814591198,C56H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C56H108O6/c1-6-7-8-9-10-11-12-21-26-31-36-41-46-54(57)60-49-53(62-56(59)48-43-38-33-28-23-18-17-20-25-30-35-40-45-52(4)5)50-61-55(58)47-42-37-32-27-22-16-14-13-15-19-24-29-34-39-44-51(2)3/h51-53H,6-50H2,1-5H3/t53-/m1/s1",NHMUUFOHVNTBGB,IONAWPRUSA,N,TG(i-20:0/i-18:0/15:0),NHMUUFOHVNTBGB-IONAWPRUSA-N
HMDB63069,862.798941133,C55H106O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C55H106O6/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-35-39-43-47-54(57)60-50-52(61-55(58)48-44-40-36-32-31-33-37-41-45-51(3)4)49-59-53(56)46-42-38-34-29-27-25-23-20-18-16-14-12-10-8-6-2/h51-52H,5-50H2,1-4H3/t52-/m1/s1",HOIALOUUEOAAEO,OIVUAWODSA,N,TG(20:0/i-14:0/18:0),HOIALOUUEOAAEO-OIVUAWODSA-N
HMDB63070,988.939791713,C64H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C64H124O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-24-29-34-39-44-49-54-62(65)68-57-61(58-69-63(66)55-50-45-40-35-30-26-21-22-27-32-37-42-47-52-59(3)4)70-64(67)56-51-46-41-36-31-25-20-19-23-28-33-38-43-48-53-60(5)7-2/h59-61H,6-58H2,1-5H3/t60?,61-/m1/s1",BADHCMPFWAXWMV,MBLVYYNZSA,N,TG(i-19:0/a-21:0/21:0),BADHCMPFWAXWMV-MBLVYYNZSA-N
HMDB63071,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C52H100O6/c1-6-7-8-9-10-11-22-29-34-39-44-52(55)58-49(46-57-51(54)43-38-33-28-24-19-18-21-26-31-36-41-48(4)5)45-56-50(53)42-37-32-27-23-17-15-13-12-14-16-20-25-30-35-40-47(2)3/h47-49H,6-46H2,1-5H3/t49-/m0/s1",OFXKNPIBTOPKQD,GGCSAXROSA,N,TG(i-20:0/13:0/i-16:0),OFXKNPIBTOPKQD-GGCSAXROSA-N
HMDB63072,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C61H118O6/c1-55(2)47-41-35-29-23-17-12-9-7-8-10-14-21-28-34-40-46-52-61(64)67-58(54-66-60(63)51-45-39-33-27-22-16-19-25-31-37-43-49-57(5)6)53-65-59(62)50-44-38-32-26-20-15-11-13-18-24-30-36-42-48-56(3)4/h55-58H,7-54H2,1-6H3/t58-/m0/s1",SDGSTAUAYADPNT,XKJQNMSGSA,N,TG(i-19:0/i-22:0/i-17:0),SDGSTAUAYADPNT-XKJQNMSGSA-N
HMDB63073,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-5-7-9-11-13-15-17-19-21-23-25-29-34-38-42-46-50-54-61(64)67-58(55-65-59(62)52-48-44-40-36-32-28-24-22-20-18-16-14-12-10-8-6-2)56-66-60(63)53-49-45-41-37-33-30-26-27-31-35-39-43-47-51-57(3)4/h57-58H,5-56H2,1-4H3/t58-/m0/s1",ITWNOUNOCJSVHC,XKJQNMSGSA,N,TG(19:0/20:0/i-19:0),ITWNOUNOCJSVHC-XKJQNMSGSA-N
HMDB63074,932.877191455,C60H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m1/s1",SHZPWERZEREAAC,ODEQYEIHSA,N,TG(20:0/19:0/18:0),SHZPWERZEREAAC-ODEQYEIHSA-N
HMDB63075,932.877191455,C60H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C60H116O6/c1-5-7-9-11-13-15-17-19-20-24-28-32-36-40-44-48-52-59(62)65-55-57(54-64-58(61)51-47-43-39-35-31-26-18-16-14-12-10-8-6-2)66-60(63)53-49-45-41-37-33-29-25-22-21-23-27-30-34-38-42-46-50-56(3)4/h56-57H,5-55H2,1-4H3/t57-/m1/s1",ODTWNGOUJQWKKU,ODEQYEIHSA,N,TG(19:0/i-22:0/16:0),ODTWNGOUJQWKKU-ODEQYEIHSA-N
HMDB63076,736.658090554,C46H88O6,[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C46H88O6/c1-5-7-9-11-13-14-22-27-31-35-39-46(49)52-43(40-50-44(47)37-33-29-24-12-10-8-6-2)41-51-45(48)38-34-30-26-23-20-18-16-15-17-19-21-25-28-32-36-42(3)4/h42-43H,5-41H2,1-4H3/t43-/m1/s1",ONQPYLZJTXCFER,VZUYHUTRSA,N,TG(i-20:0/13:0/10:0),ONQPYLZJTXCFER-VZUYHUTRSA-N
HMDB63077,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-18-20-22-24-26-27-29-31-33-35-37-40-42-45-48-54(57)60-51-52(61-55(58)49-46-43-38-15-12-9-6-3)50-59-53(56)47-44-41-39-36-34-32-30-28-25-23-21-19-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",GTTSLUICMSQWAM,MPLRIKRWSA,N,TG(20:0/10:0/22:0),GTTSLUICMSQWAM-MPLRIKRWSA-N
HMDB63078,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-5-7-9-11-13-15-17-19-21-22-25-29-32-36-40-44-48-52-59(62)65-55-58(67-61(64)54-50-46-42-38-34-28-20-18-16-14-12-10-8-6-2)56-66-60(63)53-49-45-41-37-33-30-26-23-24-27-31-35-39-43-47-51-57(3)4/h57-58H,5-56H2,1-4H3/t58-/m0/s1",RGFHNZQNSQNEFD,XKJQNMSGSA,N,TG(20:0/17:0/i-21:0),RGFHNZQNSQNEFD-XKJQNMSGSA-N
HMDB63079,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C55H106O6/c1-7-50(5)42-36-30-24-18-15-16-20-28-34-40-46-55(58)61-52(48-60-54(57)45-39-33-27-22-21-25-31-37-43-51(6)8-2)47-59-53(56)44-38-32-26-19-14-12-10-9-11-13-17-23-29-35-41-49(3)4/h49-52H,7-48H2,1-6H3/t50?,51?,52-/m0/s1",XECMOJFIAPAIBT,DILADQALSA,N,TG(i-20:0/a-17:0/a-15:0),XECMOJFIAPAIBT-DILADQALSA-N
HMDB63080,932.877191455,C60H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-6-7-8-9-10-11-12-25-32-37-42-47-52-60(63)66-57(54-65-59(62)51-46-41-36-31-27-22-18-17-20-24-29-34-39-44-49-56(4)5)53-64-58(61)50-45-40-35-30-26-21-16-14-13-15-19-23-28-33-38-43-48-55(2)3/h55-57H,6-54H2,1-5H3/t57-/m1/s1",PRRIVPQGGJMASN,ODEQYEIHSA,N,TG(i-20:0/15:0/i-22:0),PRRIVPQGGJMASN-ODEQYEIHSA-N
HMDB63081,932.877191455,C60H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C60H116O6/c1-5-7-9-11-13-15-17-19-21-24-28-32-36-40-44-48-52-59(62)65-55-57(54-64-58(61)51-47-43-39-35-31-27-20-18-16-14-12-10-8-6-2)66-60(63)53-49-45-41-37-33-29-25-22-23-26-30-34-38-42-46-50-56(3)4/h56-57H,5-55H2,1-4H3/t57-/m1/s1",YGWIXSBOCFUWKZ,ODEQYEIHSA,N,TG(19:0/i-21:0/17:0),YGWIXSBOCFUWKZ-ODEQYEIHSA-N
HMDB63082,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C55H106O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-25-30-35-40-45-53(56)59-48-52(49-60-54(57)46-41-36-31-27-22-23-28-33-38-43-50(3)4)61-55(58)47-42-37-32-26-21-20-24-29-34-39-44-51(5)7-2/h50-52H,6-49H2,1-5H3/t51?,52-/m0/s1",TYFMHHRVRMOKHR,KRIWGXSWSA,N,TG(20:0/a-17:0/i-15:0),TYFMHHRVRMOKHR-KRIWGXSWSA-N
HMDB63083,778.705040747,C49H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C49H94O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-34-39-47(50)53-42-46(55-49(52)41-36-31-26-21-23-28-33-38-45(4)5)43-54-48(51)40-35-30-25-20-22-27-32-37-44(2)3/h44-46H,6-43H2,1-5H3/t46-/m0/s1",GRJLFWKIHXQHDH,DXQCBLCSSA,N,TG(20:0/i-13:0/i-13:0),GRJLFWKIHXQHDH-DXQCBLCSSA-N
HMDB63084,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-6-7-8-9-10-11-12-13-14-15-20-23-26-29-36-41-46-54(57)60-51(48-59-53(56)45-40-35-31-30-33-38-43-50(4)5)47-58-52(55)44-39-34-28-25-22-19-17-16-18-21-24-27-32-37-42-49(2)3/h49-51H,6-48H2,1-5H3/t51-/m0/s1",RFHDRDKESYAJLQ,XHIZWQFQSA,N,TG(i-20:0/19:0/i-12:0),RFHDRDKESYAJLQ-XHIZWQFQSA-N
HMDB63085,960.908491584,C62H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C62H120O6/c1-56(2)48-42-36-30-24-18-12-7-9-15-21-27-33-39-45-51-60(63)66-54-59(55-67-61(64)52-46-40-34-28-22-17-11-14-20-26-32-38-44-50-58(5)6)68-62(65)53-47-41-35-29-23-16-10-8-13-19-25-31-37-43-49-57(3)4/h56-59H,7-55H2,1-6H3/t59-/m1/s1",BPJXIOZEQGIQBK,OBEXFZABSA,N,TG(i-19:0/i-20:0/i-20:0),BPJXIOZEQGIQBK-OBEXFZABSA-N
HMDB63086,1059.018042035,C69H134O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C69H134O6/c1-7-65(6)57-51-45-39-33-27-21-15-10-8-9-11-17-23-30-36-42-48-54-60-69(72)75-66(62-74-68(71)59-53-47-41-35-29-24-18-20-26-32-38-44-50-56-64(4)5)61-73-67(70)58-52-46-40-34-28-22-16-13-12-14-19-25-31-37-43-49-55-63(2)3/h63-66H,7-62H2,1-6H3/t65?,66-/m1/s1",TZISCVBDDNBVIC,PCNFICSQSA,N,TG(i-19:0/a-25:0/i-22:0),TZISCVBDDNBVIC-PCNFICSQSA-N
HMDB63087,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C60H116O6/c1-6-8-9-10-11-12-13-14-15-18-22-25-28-31-34-40-45-50-58(61)64-53-57(66-60(63)52-47-42-37-36-39-44-49-56(5)7-2)54-65-59(62)51-46-41-35-32-29-26-23-20-17-16-19-21-24-27-30-33-38-43-48-55(3)4/h55-57H,6-54H2,1-5H3/t56?,57-/m0/s1",RYLAUBZVPVQZED,WAIPXTBSSA,N,TG(20:0/a-13:0/i-24:0),RYLAUBZVPVQZED-WAIPXTBSSA-N
HMDB63088,764.689390682,C48H92O6,[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C48H92O6/c1-5-8-10-12-14-15-16-17-18-19-20-21-22-23-28-32-36-40-47(50)53-43-45(42-52-46(49)39-35-31-26-13-11-9-6-2)54-48(51)41-37-33-29-25-24-27-30-34-38-44(4)7-3/h44-45H,5-43H2,1-4H3/t44?,45-/m1/s1",ZKGNJBZGYVTENV,BWSSJUFOSA,N,TG(20:0/a-15:0/10:0),ZKGNJBZGYVTENV-BWSSJUFOSA-N
HMDB63089,890.830241262,C57H110O6,[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C57H110O6/c1-6-7-8-9-10-11-27-32-37-42-47-55(58)61-50-54(51-62-56(59)48-43-38-33-28-23-20-16-18-22-26-31-36-41-46-53(4)5)63-57(60)49-44-39-34-29-24-19-15-13-12-14-17-21-25-30-35-40-45-52(2)3/h52-54H,6-51H2,1-5H3/t54-/m1/s1",HOIAOYGYPHNLAZ,AXAMJWTMSA,N,TG(i-19:0/i-22:0/13:0),HOIAOYGYPHNLAZ-AXAMJWTMSA-N
HMDB63090,876.814591198,C56H108O6,[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C56H108O6/c1-6-7-8-9-10-11-26-31-36-41-46-54(57)60-49-53(62-56(59)48-43-38-33-28-23-19-15-13-17-21-25-30-35-40-45-52(4)5)50-61-55(58)47-42-37-32-27-22-18-14-12-16-20-24-29-34-39-44-51(2)3/h51-53H,6-50H2,1-5H3/t53-/m1/s1",LSFUJQQQFHPGPV,IONAWPRUSA,N,TG(i-20:0/i-20:0/13:0),LSFUJQQQFHPGPV-IONAWPRUSA-N
HMDB63091,750.673740618,C47H90O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C47H90O6/c1-6-7-8-9-20-29-34-39-47(50)53-44(41-52-46(49)38-33-28-24-19-18-22-26-31-36-43(4)5)40-51-45(48)37-32-27-23-17-15-13-11-10-12-14-16-21-25-30-35-42(2)3/h42-44H,6-41H2,1-5H3/t44-/m0/s1",KVDKNACKRQHSFD,SJARJILFSA,N,TG(i-20:0/10:0/i-14:0),KVDKNACKRQHSFD-SJARJILFSA-N
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HMDB63093,792.720690811,C50H96O6,[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C50H96O6/c1-5-7-9-11-12-13-14-15-16-17-18-21-24-27-30-34-38-42-49(52)55-45-47(44-54-48(51)41-37-32-10-8-6-2)56-50(53)43-39-35-31-28-25-22-19-20-23-26-29-33-36-40-46(3)4/h46-47H,5-45H2,1-4H3/t47-/m1/s1",QGBYKSKTRZZHMP,QZNUWAOFSA,N,TG(20:0/i-19:0/8:0),QGBYKSKTRZZHMP-QZNUWAOFSA-N
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HMDB63519,1016.971091842,C66H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C66H128O6/c1-5-7-9-11-13-15-17-19-21-25-31-35-39-43-47-51-55-59-66(69)72-63(60-70-64(67)57-53-49-45-41-37-33-29-22-20-18-16-14-12-10-8-6-2)61-71-65(68)58-54-50-46-42-38-34-30-27-24-23-26-28-32-36-40-44-48-52-56-62(3)4/h62-63H,5-61H2,1-4H3/t63-/m0/s1",HPDIYMNWXHPOQJ,VGRRCQLWSA,N,TG(19:0/20:0/i-24:0),HPDIYMNWXHPOQJ-VGRRCQLWSA-N
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HMDB63763,820.75199094,C52H100O6,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m1/s1",CLMFBIVKXFVYHM,ANFMRNGASA,N,TG(20:0/14:0/15:0),CLMFBIVKXFVYHM-ANFMRNGASA-N
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HMDB64864,806.736340876,C51H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C51H98O6/c1-7-47(6)39-33-27-23-24-29-35-41-50(53)56-44-48(57-51(54)42-36-30-22-18-17-20-26-32-38-46(4)5)43-55-49(52)40-34-28-21-16-14-12-10-8-9-11-13-15-19-25-31-37-45(2)3/h45-48H,7-44H2,1-6H3/t47?,48-/m0/s1",FNQJGKAJDHHNMO,HOMNMMCZSA,N,TG(i-21:0/i-14:0/a-13:0)[rac],FNQJGKAJDHHNMO-HOMNMMCZSA-N
HMDB64865,960.908491584,C62H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C62H120O6/c1-56(2)48-42-36-30-24-18-13-9-7-8-10-16-22-29-35-41-47-53-62(65)68-59(55-67-61(64)52-46-40-34-28-23-17-20-26-32-38-44-50-58(5)6)54-66-60(63)51-45-39-33-27-21-15-12-11-14-19-25-31-37-43-49-57(3)4/h56-59H,7-55H2,1-6H3/t59-/m0/s1",VANHNCNWLFYMNB,MNPYLUJASA,N,TG(i-20:0/i-22:0/i-17:0),VANHNCNWLFYMNB-MNPYLUJASA-N
HMDB64866,820.75199094,C52H100O6,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C52H100O6/c1-6-7-8-9-10-11-17-21-27-32-37-42-50(53)56-45-49(58-52(55)44-39-34-29-24-23-26-31-36-41-48(4)5)46-57-51(54)43-38-33-28-22-19-16-14-12-13-15-18-20-25-30-35-40-47(2)3/h47-49H,6-46H2,1-5H3/t49-/m1/s1",HGMLLSFZCGOEGY,ANFMRNGASA,N,TG(i-21:0/i-14:0/14:0),HGMLLSFZCGOEGY-ANFMRNGASA-N
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HMDB64868,890.830241262,C57H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C57H110O6/c1-7-53(6)45-39-33-27-21-17-13-9-11-15-19-23-29-35-41-47-56(59)62-50-54(63-57(60)48-42-36-30-24-26-32-38-44-52(4)5)49-61-55(58)46-40-34-28-22-18-14-10-8-12-16-20-25-31-37-43-51(2)3/h51-54H,7-50H2,1-6H3/t53?,54-/m1/s1",KFCRTMQPRUVBIT,HVISTYRSSA,N,TG(a-21:0/i-13:0/i-20:0)[rac],KFCRTMQPRUVBIT-HVISTYRSSA-N
HMDB64869,890.830241262,C57H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C57H110O6/c1-7-53(6)45-39-33-26-22-18-14-11-12-16-20-24-28-35-41-47-56(59)62-50-54(63-57(60)48-42-36-30-29-32-38-44-52(4)5)49-61-55(58)46-40-34-27-23-19-15-10-8-9-13-17-21-25-31-37-43-51(2)3/h51-54H,7-50H2,1-6H3/t53?,54-/m1/s1",VRBTYLSKAWKFHI,HVISTYRSSA,N,TG(a-21:0/i-12:0/i-21:0)[rac],VRBTYLSKAWKFHI-HVISTYRSSA-N
HMDB64870,904.845891326,C58H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-5-7-9-11-13-15-17-18-19-20-21-24-27-30-34-37-41-45-49-56(59)62-52-55(64-58(61)51-47-43-39-33-16-14-12-10-8-6-2)53-63-57(60)50-46-42-38-35-31-28-25-22-23-26-29-32-36-40-44-48-54(3)4/h54-55H,5-53H2,1-4H3/t55-/m1/s1",DLPOQVOTTYDQDU,KZRJWCEASA,N,TG(i-21:0/13:0/21:0),DLPOQVOTTYDQDU-KZRJWCEASA-N
HMDB64871,750.673740618,C47H90O6,[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C47H90O6/c1-6-8-9-10-20-27-32-37-45(48)51-40-44(53-47(50)39-34-29-24-23-26-31-36-43(5)7-2)41-52-46(49)38-33-28-22-19-17-15-13-11-12-14-16-18-21-25-30-35-42(3)4/h42-44H,6-41H2,1-5H3/t43?,44-/m1/s1",SJMORKNWEAHDCC,JXDVSCHGSA,N,TG(i-21:0/a-13:0/10:0)[rac],SJMORKNWEAHDCC-JXDVSCHGSA-N
HMDB64872,960.908491584,C62H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C62H120O6/c1-6-7-8-9-10-11-12-13-14-15-16-22-27-32-37-42-47-52-60(63)66-55-59(56-67-61(64)53-48-43-38-33-28-24-19-21-26-31-36-41-46-51-58(4)5)68-62(65)54-49-44-39-34-29-23-18-17-20-25-30-35-40-45-50-57(2)3/h57-59H,6-56H2,1-5H3/t59-/m0/s1",HCCTXUHISQPPSG,MNPYLUJASA,N,TG(20:0/i-20:0/i-19:0),HCCTXUHISQPPSG-MNPYLUJASA-N
HMDB64873,848.783291069,C54H104O6,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-5-7-9-11-13-15-17-21-27-31-35-39-43-47-54(57)60-51(48-58-52(55)45-41-37-33-29-24-16-14-12-10-8-6-2)49-59-53(56)46-42-38-34-30-26-23-20-18-19-22-25-28-32-36-40-44-50(3)4/h50-51H,5-49H2,1-4H3/t51-/m1/s1",PJONGVDPXKBGOA,NLXJDERGSA,N,TG(i-21:0/16:0/14:0),PJONGVDPXKBGOA-NLXJDERGSA-N
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HMDB65018,862.798941133,C55H106O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C55H106O6/c1-6-8-9-10-11-12-13-17-21-24-30-35-40-45-53(56)59-48-52(61-55(58)47-42-37-32-27-26-29-34-39-44-51(5)7-2)49-60-54(57)46-41-36-31-25-22-19-16-14-15-18-20-23-28-33-38-43-50(3)4/h50-52H,6-49H2,1-5H3/t51?,52-/m1/s1",BQJZJPATFPRMEU,VMIICISDSA,N,TG(i-21:0/a-15:0/16:0)[rac],BQJZJPATFPRMEU-VMIICISDSA-N
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HMDB65023,820.75199094,C52H100O6,[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m1/s1",GPFMCTLSRZEXBJ,ANFMRNGASA,N,TG(21:0/15:0/13:0),GPFMCTLSRZEXBJ-ANFMRNGASA-N
HMDB65024,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-6-8-9-10-11-12-13-25-32-37-42-47-52-60(63)66-57(53-64-58(61)50-45-40-35-30-26-21-16-14-15-19-23-28-33-38-43-48-55(3)4)54-65-59(62)51-46-41-36-31-27-22-18-17-20-24-29-34-39-44-49-56(5)7-2/h55-57H,6-54H2,1-5H3/t56?,57-/m0/s1",BTHBFJRSZSKNPN,WAIPXTBSSA,N,TG(i-21:0/15:0/a-21:0)[rac],BTHBFJRSZSKNPN-WAIPXTBSSA-N
HMDB65025,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,"InChI=1S/C54H104O6/c1-5-7-9-11-12-13-14-15-16-17-18-22-25-28-31-34-38-41-45-52(55)58-48-51(60-54(57)47-43-36-10-8-6-2)49-59-53(56)46-42-39-35-32-29-26-23-20-19-21-24-27-30-33-37-40-44-50(3)4/h50-51H,5-49H2,1-4H3/t51-/m0/s1",RQMPPKBNJSLTLK,XHIZWQFQSA,N,TG(21:0/8:0/i-22:0),RQMPPKBNJSLTLK-XHIZWQFQSA-N
HMDB65026,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C59H114O6/c1-5-7-9-11-13-15-17-19-20-21-22-23-27-31-34-38-42-46-50-57(60)63-53-56(65-59(62)52-48-44-40-36-30-18-16-14-12-10-8-6-2)54-64-58(61)51-47-43-39-35-32-28-25-24-26-29-33-37-41-45-49-55(3)4/h55-56H,5-54H2,1-4H3/t56-/m0/s1",ZPZDNDZEDWLGRF,UWGNJQTFSA,N,TG(21:0/15:0/i-20:0),ZPZDNDZEDWLGRF-UWGNJQTFSA-N
HMDB65027,890.830241262,C57H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-5-7-9-11-13-15-17-18-19-20-23-26-29-33-36-40-44-48-55(58)61-51-54(63-57(60)50-46-42-38-32-16-14-12-10-8-6-2)52-62-56(59)49-45-41-37-34-30-27-24-21-22-25-28-31-35-39-43-47-53(3)4/h53-54H,5-52H2,1-4H3/t54-/m1/s1",KBNQBIIANQPCPK,AXAMJWTMSA,N,TG(i-21:0/13:0/20:0),KBNQBIIANQPCPK-AXAMJWTMSA-N
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HMDB65259,764.689390682,C48H92O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C48H92O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-33-38-46(49)52-41-45(54-48(51)40-35-30-25-23-27-32-37-44(4)5)42-53-47(50)39-34-29-24-22-26-31-36-43(2)3/h43-45H,6-42H2,1-5H3/t45-/m0/s1",NMNOTWZFXRPVKA,GWHBCOKCSA,N,TG(21:0/i-12:0/i-12:0),NMNOTWZFXRPVKA-GWHBCOKCSA-N
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HMDB65612,778.705040747,C49H94O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C49H94O6/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-25-29-32-36-40-47(50)53-43-46(55-49(52)42-38-34-27-12-10-8-6-2)44-54-48(51)41-37-33-30-26-23-24-28-31-35-39-45(3)4/h45-46H,5-44H2,1-4H3/t46-/m0/s1",HIYXBBVSTOUGAP,DXQCBLCSSA,N,TG(21:0/10:0/i-15:0),HIYXBBVSTOUGAP-DXQCBLCSSA-N
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HMDB65621,1002.955441777,C65H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C65H126O6/c1-6-8-9-10-11-12-13-14-15-16-20-23-26-29-35-40-45-50-55-63(66)69-58-62(71-65(68)57-52-47-42-37-32-31-33-38-43-48-53-60(3)4)59-70-64(67)56-51-46-41-36-30-27-24-21-18-17-19-22-25-28-34-39-44-49-54-61(5)7-2/h60-62H,6-59H2,1-5H3/t61?,62-/m0/s1",QTKOQQRITQIWGA,CTAQDZMASA,N,TG(21:0/i-16:0/a-25:0)[rac],QTKOQQRITQIWGA-CTAQDZMASA-N
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HMDB65913,862.798941133,C55H106O6,[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C55H106O6/c1-6-7-8-9-28-35-40-45-53(56)59-48-52(61-55(58)47-42-37-32-27-23-19-15-11-13-17-21-25-30-34-39-44-51(4)5)49-60-54(57)46-41-36-31-26-22-18-14-10-12-16-20-24-29-33-38-43-50(2)3/h50-52H,6-49H2,1-5H3/t52-/m1/s1",MAVJRJQJMISKIN,OIVUAWODSA,N,TG(i-21:0/i-21:0/10:0),MAVJRJQJMISKIN-OIVUAWODSA-N
HMDB65914,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C53H102O6/c1-7-49(6)41-35-29-22-18-14-10-8-9-11-15-19-23-30-36-42-51(54)57-45-50(59-53(56)44-38-32-26-25-28-34-40-48(4)5)46-58-52(55)43-37-31-24-20-16-12-13-17-21-27-33-39-47(2)3/h47-50H,7-46H2,1-6H3/t49?,50-/m0/s1",CFULXSHGVXLVKW,GOOVXGPGSA,N,TG(a-21:0/i-12:0/i-17:0)[rac],CFULXSHGVXLVKW-GOOVXGPGSA-N
HMDB65915,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C60H116O6/c1-7-55(5)47-41-35-29-23-19-15-12-13-17-21-25-32-38-44-50-59(62)65-53-57(66-60(63)51-45-39-33-27-26-30-36-42-48-56(6)8-2)52-64-58(61)49-43-37-31-24-20-16-11-9-10-14-18-22-28-34-40-46-54(3)4/h54-57H,7-53H2,1-6H3/t55?,56?,57-/m0/s1",SCGDRXYQPXHUBO,WOBUZJGQSA,N,TG(i-21:0/a-15:0/a-21:0)[rac],SCGDRXYQPXHUBO-WOBUZJGQSA-N
HMDB65916,862.798941133,C55H106O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-5-8-10-12-14-16-18-22-27-30-34-38-42-46-53(56)59-49-52(61-55(58)48-44-40-36-32-26-19-17-15-13-11-9-6-2)50-60-54(57)47-43-39-35-31-28-24-21-20-23-25-29-33-37-41-45-51(4)7-3/h51-52H,5-50H2,1-4H3/t51?,52-/m1/s1",OZTWYTQRRSUVMD,VMIICISDSA,N,TG(a-21:0/15:0/16:0)[rac],OZTWYTQRRSUVMD-VMIICISDSA-N
HMDB65917,806.736340876,C51H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,"InChI=1S/C51H98O6/c1-5-8-10-12-14-16-17-18-19-20-21-22-23-24-26-30-34-38-42-49(52)55-45-48(57-51(54)44-40-36-32-25-15-13-11-9-6-2)46-56-50(53)43-39-35-31-28-27-29-33-37-41-47(4)7-3/h47-48H,5-46H2,1-4H3/t47?,48-/m0/s1",CLKJTOAMYCLKNZ,HOMNMMCZSA,N,TG(21:0/12:0/a-15:0)[rac],CLKJTOAMYCLKNZ-HOMNMMCZSA-N
HMDB65918,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C64H124O6/c1-6-7-8-9-10-11-12-13-14-15-18-24-29-34-39-44-49-54-62(65)68-57-61(58-69-63(66)55-50-45-40-35-30-25-21-20-23-28-33-38-43-48-53-60(4)5)70-64(67)56-51-46-41-36-31-26-19-16-17-22-27-32-37-42-47-52-59(2)3/h59-61H,6-58H2,1-5H3/t61-/m0/s1",MJGCLFWIZPTWDZ,WMNDHARXSA,N,TG(20:0/i-21:0/i-20:0),MJGCLFWIZPTWDZ-WMNDHARXSA-N
HMDB65919,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-47-51-58(61)64-54-57(55-65-59(62)52-48-44-40-37-33-34-38-42-46-50-56(3)4)66-60(63)53-49-45-41-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h56-57H,5-55H2,1-4H3/t57-/m0/s1",FKGKYECCJLORSY,SMWREMLRSA,N,TG(21:0/21:0/i-15:0),FKGKYECCJLORSY-SMWREMLRSA-N
HMDB65920,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C53H102O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-33-38-43-51(54)57-46-50(59-53(56)45-40-35-30-25-24-27-32-37-42-49(4)5)47-58-52(55)44-39-34-29-23-20-21-26-31-36-41-48(2)3/h48-50H,6-47H2,1-5H3/t50-/m0/s1",XXGXJHYVSIGCEB,DPDRHGIRSA,N,TG(21:0/i-14:0/i-15:0),XXGXJHYVSIGCEB-DPDRHGIRSA-N
HMDB65921,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C58H112O6/c1-52(2)44-38-32-26-20-16-12-8-7-9-15-19-23-31-37-43-49-58(61)64-55(51-63-57(60)48-42-36-30-25-24-28-34-40-46-54(5)6)50-62-56(59)47-41-35-29-22-18-14-11-10-13-17-21-27-33-39-45-53(3)4/h52-55H,7-51H2,1-6H3/t55-/m0/s1",KGWJTQVGXMXDEF,GNFJTHHVSA,N,TG(i-20:0/i-21:0/i-14:0),KGWJTQVGXMXDEF-GNFJTHHVSA-N
HMDB65922,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C59H114O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-22-25-28-34-39-44-49-57(60)63-52-56(65-59(62)51-46-41-36-31-30-33-38-43-48-55(5)7-2)53-64-58(61)50-45-40-35-29-26-23-20-19-21-24-27-32-37-42-47-54(3)4/h54-56H,6-53H2,1-5H3/t55?,56-/m0/s1",BFPQBKQWARYNRY,POGSWUJUSA,N,TG(21:0/a-15:0/i-20:0)[rac],BFPQBKQWARYNRY-POGSWUJUSA-N
HMDB65923,652.564190167,C40H76O6,[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,"InChI=1S/C40H76O6/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-24-25-28-30-33-39(42)45-36-37(46-40(43)34-31-27-12-9-6-3)35-44-38(41)32-29-26-11-8-5-2/h37H,4-36H2,1-3H3/t37-/m1/s1",IHRKXLICEICYIW,DIPNUNPCSA,N,TG(21:0/8:0/8:0),IHRKXLICEICYIW-DIPNUNPCSA-N
HMDB65924,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C56H108O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-25-28-32-35-39-43-47-54(57)60-50-53(62-56(59)49-45-41-37-31-16-14-12-10-8-6-2)51-61-55(58)48-44-40-36-33-29-26-23-24-27-30-34-38-42-46-52(3)4/h52-53H,5-51H2,1-4H3/t53-/m0/s1",VGIUEVREJYCPLW,DTSDQNDWSA,N,TG(21:0/13:0/i-19:0),VGIUEVREJYCPLW-DTSDQNDWSA-N
HMDB65925,778.705040747,C49H94O6,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C49H94O6/c1-5-7-9-11-13-14-15-22-25-29-32-36-40-47(50)53-43-46(55-49(52)42-38-34-27-12-10-8-6-2)44-54-48(51)41-37-33-30-26-23-20-18-16-17-19-21-24-28-31-35-39-45(3)4/h45-46H,5-44H2,1-4H3/t46-/m1/s1",FVBZTCJGJSUSPV,YACUFSJGSA,N,TG(i-21:0/10:0/15:0),FVBZTCJGJSUSPV-YACUFSJGSA-N
HMDB65926,946.89284152,C61H118O6,[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C61H118O6/c1-5-8-10-12-14-16-18-19-20-23-27-30-33-37-41-45-49-53-60(63)66-56-58(55-65-59(62)52-48-44-40-36-17-15-13-11-9-6-2)67-61(64)54-50-46-42-38-34-31-28-25-22-21-24-26-29-32-35-39-43-47-51-57(4)7-3/h57-58H,5-56H2,1-4H3/t57?,58-/m1/s1",GTLUYZGFNIHUDJ,YWDKKUBGSA,N,TG(20:0/a-25:0/13:0)[rac],GTLUYZGFNIHUDJ-YWDKKUBGSA-N
HMDB65927,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C58H112O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-22-25-28-33-38-43-48-56(59)62-51-55(64-58(61)50-45-40-35-30-31-36-41-46-53(3)4)52-63-57(60)49-44-39-34-29-26-23-20-19-21-24-27-32-37-42-47-54(5)7-2/h53-55H,6-52H2,1-5H3/t54?,55-/m0/s1",VIFRWRWBVJLDKQ,OIHVTOTMSA,N,TG(21:0/i-13:0/a-21:0)[rac],VIFRWRWBVJLDKQ-OIHVTOTMSA-N
HMDB65928,834.767641004,C53H102O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-30-32-35-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-33-18-15-12-9-6-3)48-57-51(54)45-42-39-36-34-31-29-24-22-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m1/s1",LFVCRRCUMCCVKT,VCZQVZGSSA,N,TG(21:0/12:0/17:0),LFVCRRCUMCCVKT-VCZQVZGSSA-N
HMDB65929,960.908491584,C62H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H120O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-22-29-34-39-44-49-54-62(65)68-59(56-67-61(64)53-48-43-38-33-28-24-23-26-31-36-41-46-51-58(4)5)55-66-60(63)52-47-42-37-32-27-21-19-18-20-25-30-35-40-45-50-57(2)3/h57-59H,6-56H2,1-5H3/t59-/m0/s1",NCNRUAIBWPWMPY,MNPYLUJASA,N,TG(i-20:0/21:0/i-18:0),NCNRUAIBWPWMPY-MNPYLUJASA-N
HMDB65930,806.736340876,C51H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C51H98O6/c1-7-47(6)39-33-27-23-24-30-36-42-51(54)57-48(44-56-50(53)41-35-29-22-18-17-20-26-32-38-46(4)5)43-55-49(52)40-34-28-21-16-14-12-10-8-9-11-13-15-19-25-31-37-45(2)3/h45-48H,7-44H2,1-6H3/t47?,48-/m0/s1",UDOXKWAIHNXUQL,HOMNMMCZSA,N,TG(i-21:0/a-13:0/i-14:0)[rac],UDOXKWAIHNXUQL-HOMNMMCZSA-N
HMDB65931,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C53H102O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-25-29-32-36-40-44-51(54)57-47-50(59-53(56)46-42-38-34-27-14-12-10-8-6-2)48-58-52(55)45-41-37-33-30-26-23-24-28-31-35-39-43-49(3)4/h49-50H,5-48H2,1-4H3/t50-/m0/s1",RLKIEYWFHKHLTR,DPDRHGIRSA,N,TG(21:0/12:0/i-17:0),RLKIEYWFHKHLTR-DPDRHGIRSA-N
HMDB65932,792.720690811,C50H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C50H96O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-33-37-41-48(51)54-44-47(45-55-49(52)42-38-34-31-30-32-36-40-46(3)4)56-50(53)43-39-35-29-27-24-16-14-12-10-8-6-2/h46-47H,5-45H2,1-4H3/t47-/m0/s1",KXAQKGAIBHUAFU,MFERNQICSA,N,TG(21:0/14:0/i-12:0),KXAQKGAIBHUAFU-MFERNQICSA-N
HMDB65933,904.845891326,C58H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C58H112O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-24-27-30-34-37-41-45-49-56(59)62-52-55(64-58(61)51-47-43-39-32-14-12-10-8-6-2)53-63-57(60)50-46-42-38-35-31-28-25-22-23-26-29-33-36-40-44-48-54(3)4/h54-55H,5-53H2,1-4H3/t55-/m1/s1",IOJSWJYVUCHUEC,KZRJWCEASA,N,TG(i-21:0/12:0/22:0),IOJSWJYVUCHUEC-KZRJWCEASA-N
HMDB65934,1073.033692099,C70H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C70H136O6/c1-5-8-10-12-14-16-18-20-22-24-25-31-35-39-43-47-51-55-59-63-70(73)76-67(64-74-68(71)61-57-53-49-45-41-37-33-28-23-21-19-17-15-13-11-9-6-2)65-75-69(72)62-58-54-50-46-42-38-34-30-27-26-29-32-36-40-44-48-52-56-60-66(4)7-3/h66-67H,5-65H2,1-4H3/t66?,67-/m0/s1",YXIJORKXNAESHB,VCOVODAVSA,N,TG(20:0/22:0/a-25:0)[rac],YXIJORKXNAESHB-VCOVODAVSA-N
HMDB65935,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-6-9-10-11-12-13-14-17-22-25-28-35-40-45-53(56)59-50(47-58-52(55)44-39-34-30-29-32-37-42-49(5)8-3)46-57-51(54)43-38-33-27-24-21-19-16-15-18-20-23-26-31-36-41-48(4)7-2/h48-50H,6-47H2,1-5H3/t48?,49?,50-/m0/s1",SINPWKVAKABLHX,ZABJOTOOSA,N,TG(a-21:0/16:0/a-13:0)[rac],SINPWKVAKABLHX-ZABJOTOOSA-N
HMDB65936,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C61H118O6/c1-55(2)47-41-35-29-23-17-13-9-7-8-10-16-20-28-34-40-46-52-61(64)67-58(54-66-60(63)51-45-39-33-27-22-21-25-31-37-43-49-57(5)6)53-65-59(62)50-44-38-32-26-19-15-12-11-14-18-24-30-36-42-48-56(3)4/h55-58H,7-54H2,1-6H3/t58-/m0/s1",ILANGZGLODJPKD,XKJQNMSGSA,N,TG(i-20:0/i-22:0/i-16:0),ILANGZGLODJPKD-XKJQNMSGSA-N
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HMDB65962,960.908491584,C62H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C62H120O6/c1-7-58(6)50-44-38-32-26-20-13-9-11-15-23-29-35-41-47-53-62(65)68-59(55-67-61(64)52-46-40-34-28-22-17-16-19-25-31-37-43-49-57(4)5)54-66-60(63)51-45-39-33-27-21-14-10-8-12-18-24-30-36-42-48-56(2)3/h56-59H,7-55H2,1-6H3/t58?,59-/m0/s1",DSTBLGKHPVOBNQ,AUPLRJEGSA,N,TG(i-20:0/a-21:0/i-18:0)[rac],DSTBLGKHPVOBNQ-AUPLRJEGSA-N
HMDB65963,1073.033692099,C70H136O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C70H136O6/c1-6-8-9-10-11-12-13-14-15-16-17-21-24-30-35-40-45-50-55-60-68(71)74-63-67(64-75-69(72)61-56-51-46-41-36-31-27-26-28-33-38-43-48-53-58-65(3)4)76-70(73)62-57-52-47-42-37-32-25-22-19-18-20-23-29-34-39-44-49-54-59-66(5)7-2/h65-67H,6-64H2,1-5H3/t66?,67-/m1/s1",QNXORJWEOVAUFD,CCJKQXCBSA,N,TG(i-20:0/a-25:0/22:0)[rac],QNXORJWEOVAUFD-CCJKQXCBSA-N
HMDB65964,806.736340876,C51H98O6,[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C51H98O6/c1-6-8-9-10-24-31-36-41-49(52)55-44-48(57-51(54)43-38-33-28-23-19-18-21-26-30-35-40-47(5)7-2)45-56-50(53)42-37-32-27-22-17-15-13-11-12-14-16-20-25-29-34-39-46(3)4/h46-48H,6-45H2,1-5H3/t47?,48-/m1/s1",RUFXSWXRIRZVPG,YZMWRMHMSA,N,TG(i-21:0/a-17:0/10:0)[rac],RUFXSWXRIRZVPG-YZMWRMHMSA-N
HMDB65965,820.75199094,C52H100O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C52H100O6/c1-6-8-9-10-11-12-13-16-20-23-26-32-37-42-50(53)56-45-49(58-52(55)44-39-34-29-28-30-35-40-47(3)4)46-57-51(54)43-38-33-27-24-21-18-15-14-17-19-22-25-31-36-41-48(5)7-2/h47-49H,6-46H2,1-5H3/t48?,49-/m1/s1",ZJEKKLPEQOXXIQ,LGJKLLRXSA,N,TG(a-21:0/i-12:0/16:0)[rac],ZJEKKLPEQOXXIQ-LGJKLLRXSA-N
HMDB65966,750.673740618,C47H90O6,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,"InChI=1S/C47H90O6/c1-4-7-10-13-15-17-19-21-22-23-24-25-26-28-30-32-35-37-40-46(49)52-43-44(53-47(50)41-38-33-12-9-6-3)42-51-45(48)39-36-34-31-29-27-20-18-16-14-11-8-5-2/h44H,4-43H2,1-3H3/t44-/m1/s1",BHNDDLMSPVCFIF,USYZEHPZSA,N,TG(21:0/8:0/15:0),BHNDDLMSPVCFIF-USYZEHPZSA-N
HMDB65967,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C64H124O6/c1-6-7-8-9-10-11-12-13-14-15-19-24-29-34-39-44-49-54-62(65)68-57-61(58-69-63(66)55-50-45-40-35-30-26-21-23-28-33-38-43-48-53-60(4)5)70-64(67)56-51-46-41-36-31-25-20-17-16-18-22-27-32-37-42-47-52-59(2)3/h59-61H,6-58H2,1-5H3/t61-/m0/s1",WOUUQXYWXRHVBH,WMNDHARXSA,N,TG(20:0/i-22:0/i-19:0),WOUUQXYWXRHVBH-WMNDHARXSA-N
HMDB65968,848.783291069,C54H104O6,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-5-7-9-11-13-15-17-25-29-33-37-41-45-52(55)58-48-51(60-54(57)47-43-39-35-31-26-18-16-14-12-10-8-6-2)49-59-53(56)46-42-38-34-30-27-23-21-19-20-22-24-28-32-36-40-44-50(3)4/h50-51H,5-49H2,1-4H3/t51-/m1/s1",UWRUILCHZZOGKH,NLXJDERGSA,N,TG(i-21:0/15:0/15:0),UWRUILCHZZOGKH-NLXJDERGSA-N
HMDB65969,806.736340876,C51H98O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C51H98O6/c1-7-47(6)39-33-27-20-16-12-10-8-9-11-13-17-21-28-34-40-49(52)55-43-48(57-51(54)42-36-30-24-23-26-32-38-46(4)5)44-56-50(53)41-35-29-22-18-14-15-19-25-31-37-45(2)3/h45-48H,7-44H2,1-6H3/t47?,48-/m0/s1",AEKWAFQDCKEHDH,HOMNMMCZSA,N,TG(a-21:0/i-12:0/i-15:0)[rac],AEKWAFQDCKEHDH-HOMNMMCZSA-N
HMDB65970,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C56H108O6/c1-7-50(4)42-36-30-24-18-14-12-10-11-13-15-20-27-33-39-45-54(57)60-48-53(62-56(59)47-41-35-29-23-22-26-32-38-44-52(6)9-3)49-61-55(58)46-40-34-28-21-17-16-19-25-31-37-43-51(5)8-2/h50-53H,7-49H2,1-6H3/t50?,51?,52?,53-/m0/s1",UTKLYJWIIOWVEV,GBEGLDLESA,N,TG(a-21:0/a-15:0/a-17:0)[rac],UTKLYJWIIOWVEV-GBEGLDLESA-N
HMDB65971,806.736340876,C51H98O6,[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C51H98O6/c1-6-8-9-10-11-19-26-31-36-41-49(52)55-44-48(57-51(54)43-38-33-28-23-22-25-30-35-40-47(5)7-2)45-56-50(53)42-37-32-27-21-18-16-14-12-13-15-17-20-24-29-34-39-46(3)4/h46-48H,6-45H2,1-5H3/t47?,48-/m1/s1",QCFGCEUUZIVPNF,YZMWRMHMSA,N,TG(i-21:0/a-15:0/12:0)[rac],QCFGCEUUZIVPNF-YZMWRMHMSA-N
HMDB65972,848.783291069,C54H104O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C54H104O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-34-38-42-46-53(56)59-49-51(60-54(57)47-43-39-35-31-32-36-40-44-50(3)4)48-58-52(55)45-41-37-33-29-27-25-20-18-16-14-12-10-8-6-2/h50-51H,5-49H2,1-4H3/t51-/m1/s1",ZTTOHZNJCNCNTL,NLXJDERGSA,N,TG(21:0/i-13:0/17:0),ZTTOHZNJCNCNTL-NLXJDERGSA-N
HMDB65973,960.908491584,C62H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C62H120O6/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-34-39-43-47-51-55-62(65)68-59(57-67-61(64)54-50-46-42-38-35-31-32-36-40-44-48-52-58(3)4)56-66-60(63)53-49-45-41-37-33-29-27-25-22-20-18-16-14-12-10-8-6-2/h58-59H,5-57H2,1-4H3/t59-/m0/s1",WYXQMXULPXCEIT,MNPYLUJASA,N,TG(20:0/22:0/i-17:0),WYXQMXULPXCEIT-MNPYLUJASA-N
HMDB65974,876.814591198,C56H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C56H108O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-32-36-40-44-48-55(58)61-51-53(62-56(59)49-45-41-37-33-29-30-34-38-42-46-52(3)4)50-60-54(57)47-43-39-35-31-27-25-20-18-16-14-12-10-8-6-2/h52-53H,5-51H2,1-4H3/t53-/m1/s1",GEXPGELCRCHNFV,IONAWPRUSA,N,TG(21:0/i-15:0/17:0),GEXPGELCRCHNFV-IONAWPRUSA-N
HMDB65975,792.720690811,C50H96O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,"InChI=1S/C50H96O6/c1-5-8-10-12-14-15-16-19-23-26-30-33-37-41-48(51)54-44-47(56-50(53)43-39-35-28-13-11-9-6-2)45-55-49(52)42-38-34-31-27-24-21-18-17-20-22-25-29-32-36-40-46(4)7-3/h46-47H,5-45H2,1-4H3/t46?,47-/m1/s1",YYRPCQUMUPFPHO,PRCKHXDNSA,N,TG(a-21:0/10:0/16:0)[rac],YYRPCQUMUPFPHO-PRCKHXDNSA-N
HMDB65976,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-6-7-8-9-10-11-12-16-21-24-31-36-41-46-54(57)60-51(48-59-53(56)45-40-35-30-26-25-28-33-38-43-50(4)5)47-58-52(55)44-39-34-29-23-20-18-15-13-14-17-19-22-27-32-37-42-49(2)3/h49-51H,6-48H2,1-5H3/t51-/m0/s1",XJXQBOMLZQIDEH,XHIZWQFQSA,N,TG(i-21:0/16:0/i-14:0),XJXQBOMLZQIDEH-XHIZWQFQSA-N
HMDB65977,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C63H122O6/c1-6-9-10-11-12-13-14-15-16-19-23-26-29-32-38-43-48-53-61(64)67-56-60(57-68-62(65)54-49-44-39-35-34-37-42-47-52-59(5)8-3)69-63(66)55-50-45-40-33-30-27-24-21-18-17-20-22-25-28-31-36-41-46-51-58(4)7-2/h58-60H,6-57H2,1-5H3/t58?,59?,60-/m0/s1",LPAJQLSWPHVPKZ,AYMZASOTSA,N,TG(20:0/a-25:0/a-15:0)[rac],LPAJQLSWPHVPKZ-AYMZASOTSA-N
HMDB65978,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-6-7-8-9-10-11-20-29-34-39-44-49-57(60)63-54(51-62-56(59)48-43-38-33-28-24-19-15-17-22-26-31-36-41-46-53(4)5)50-61-55(58)47-42-37-32-27-23-18-14-12-13-16-21-25-30-35-40-45-52(2)3/h52-54H,6-51H2,1-5H3/t54-/m0/s1",ROKFCRRRTJSBLH,XSMLMOGHSA,N,TG(i-21:0/14:0/i-19:0),ROKFCRRRTJSBLH-XSMLMOGHSA-N
HMDB65979,1059.018042035,C69H134O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C69H134O6/c1-7-64(5)56-50-44-38-32-26-20-13-11-9-10-12-14-24-30-36-42-48-54-60-69(72)75-66(61-73-67(70)58-52-46-40-34-28-22-17-15-19-25-31-37-43-49-55-63(3)4)62-74-68(71)59-53-47-41-35-29-23-18-16-21-27-33-39-45-51-57-65(6)8-2/h63-66H,7-62H2,1-6H3/t64?,65?,66-/m0/s1",YVZFBQMCDNZEAN,ASLHCBRXSA,N,TG(i-20:0/a-25:0/a-21:0)[rac],YVZFBQMCDNZEAN-ASLHCBRXSA-N
HMDB65980,1045.00239197,C68H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C68H132O6/c1-5-7-9-11-13-15-17-19-21-23-28-33-37-41-45-49-53-57-61-68(71)74-65(62-72-66(69)59-55-51-47-43-39-35-31-26-22-20-18-16-14-12-10-8-6-2)63-73-67(70)60-56-52-48-44-40-36-32-29-25-24-27-30-34-38-42-46-50-54-58-64(3)4/h64-65H,5-63H2,1-4H3/t65-/m0/s1",ZAPLBGZHBPRKTQ,FZWUFXCXSA,N,TG(20:0/21:0/i-24:0),ZAPLBGZHBPRKTQ-FZWUFXCXSA-N
HMDB65981,778.705040747,C49H94O6,[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,"InChI=1S/C49H94O6/c1-5-8-10-12-14-16-25-28-32-36-40-47(50)53-43-46(55-49(52)42-38-34-30-23-15-13-11-9-6-2)44-54-48(51)41-37-33-29-26-22-20-18-17-19-21-24-27-31-35-39-45(4)7-3/h45-46H,5-44H2,1-4H3/t45?,46-/m1/s1",WRKFEEZBOBPFNC,NTOMMRJQSA,N,TG(a-21:0/12:0/13:0)[rac],WRKFEEZBOBPFNC-NTOMMRJQSA-N
HMDB65982,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-6-8-9-10-11-12-13-14-15-16-17-22-25-32-37-42-47-52-60(63)66-57(54-65-59(62)51-46-41-36-31-27-26-29-34-39-44-49-56(5)7-2)53-64-58(61)50-45-40-35-30-24-21-19-18-20-23-28-33-38-43-48-55(3)4/h55-57H,6-54H2,1-5H3/t56?,57-/m0/s1",LNJRKZCKLNLOFK,WAIPXTBSSA,N,TG(i-20:0/20:0/a-17:0)[rac],LNJRKZCKLNLOFK-WAIPXTBSSA-N
HMDB65983,988.939791713,C64H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C64H124O6/c1-58(2)50-44-38-32-26-20-14-8-7-9-17-23-29-35-41-47-53-62(65)68-56-61(70-64(67)55-49-43-37-31-25-19-13-11-16-22-28-34-40-46-52-60(5)6)57-69-63(66)54-48-42-36-30-24-18-12-10-15-21-27-33-39-45-51-59(3)4/h58-61H,7-57H2,1-6H3/t61-/m1/s1",CVMLSRIBXPZCFZ,QRXDBQBNSA,N,TG(i-20:0/i-20:0/i-21:0),CVMLSRIBXPZCFZ-QRXDBQBNSA-N
HMDB65984,1016.971091842,C66H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C66H128O6/c1-6-7-8-9-10-11-12-13-14-17-21-26-31-36-41-46-51-56-64(67)70-59-63(60-71-65(68)57-52-47-42-37-32-28-23-25-30-35-40-45-50-55-62(4)5)72-66(69)58-53-48-43-38-33-27-22-19-16-15-18-20-24-29-34-39-44-49-54-61(2)3/h61-63H,6-60H2,1-5H3/t63-/m0/s1",IZIXYYFMPCSPRN,VGRRCQLWSA,N,TG(20:0/i-24:0/i-19:0),IZIXYYFMPCSPRN-VGRRCQLWSA-N
HMDB65985,834.767641004,C53H102O6,[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C53H102O6/c1-6-7-8-31-38-43-51(54)57-46-50(59-53(56)45-40-35-30-26-22-18-14-10-12-16-20-24-28-33-37-42-49(4)5)47-58-52(55)44-39-34-29-25-21-17-13-9-11-15-19-23-27-32-36-41-48(2)3/h48-50H,6-47H2,1-5H3/t50-/m1/s1",QJSNHVGLJICMAM,VCZQVZGSSA,N,TG(i-21:0/i-21:0/8:0),QJSNHVGLJICMAM-VCZQVZGSSA-N
HMDB65986,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C54H104O6/c1-7-50(6)42-36-30-24-18-15-16-20-26-32-38-44-53(56)59-47-51(60-54(57)45-39-33-27-21-23-29-35-41-49(4)5)46-58-52(55)43-37-31-25-19-14-12-10-8-9-11-13-17-22-28-34-40-48(2)3/h48-51H,7-47H2,1-6H3/t50?,51-/m0/s1",ZKHHDFJPMLGWPY,NPGUAINNSA,N,TG(i-21:0/i-13:0/a-17:0)[rac],ZKHHDFJPMLGWPY-NPGUAINNSA-N
HMDB65987,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C52H100O6/c1-6-7-8-9-10-11-17-22-29-34-39-44-52(55)58-49(46-57-51(54)43-38-33-28-24-23-26-31-36-41-48(4)5)45-56-50(53)42-37-32-27-21-19-16-14-12-13-15-18-20-25-30-35-40-47(2)3/h47-49H,6-46H2,1-5H3/t49-/m0/s1",MQKHCXOSGUGGOK,GGCSAXROSA,N,TG(i-21:0/14:0/i-14:0),MQKHCXOSGUGGOK-GGCSAXROSA-N
HMDB65988,1016.971091842,C66H128O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C66H128O6/c1-5-7-9-11-13-15-17-19-21-25-30-34-38-42-46-50-54-58-65(68)71-61-63(60-70-64(67)57-53-49-45-41-37-33-29-22-20-18-16-14-12-10-8-6-2)72-66(69)59-55-51-47-43-39-35-31-27-24-23-26-28-32-36-40-44-48-52-56-62(3)4/h62-63H,5-61H2,1-4H3/t63-/m1/s1",AEPMMVQLQGVDQR,AFLCPGBUSA,N,TG(20:0/i-24:0/19:0),AEPMMVQLQGVDQR-AFLCPGBUSA-N
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HMDB66246,862.798941133,C55H106O6,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-5-8-10-12-14-16-18-19-23-28-32-36-40-44-48-55(58)61-52(49-59-53(56)46-42-38-34-30-25-17-15-13-11-9-6-2)50-60-54(57)47-43-39-35-31-27-24-21-20-22-26-29-33-37-41-45-51(4)7-3/h51-52H,5-50H2,1-4H3/t51?,52-/m1/s1",JYENTZKGLJXMMR,VMIICISDSA,N,TG(a-21:0/17:0/14:0)[rac],JYENTZKGLJXMMR-VMIICISDSA-N
HMDB66247,848.783291069,C54H104O6,[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C54H104O6/c1-6-8-9-10-11-12-24-29-34-39-44-52(55)58-47-51(60-54(57)46-41-36-31-26-21-17-18-22-27-32-37-42-49(3)4)48-59-53(56)45-40-35-30-25-20-16-14-13-15-19-23-28-33-38-43-50(5)7-2/h49-51H,6-48H2,1-5H3/t50?,51-/m1/s1",DUZMPPVJHWTWDG,HUWKAXHXSA,N,TG(a-21:0/i-17:0/13:0)[rac],DUZMPPVJHWTWDG-HUWKAXHXSA-N
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HMDB66249,1087.049342164,C71H138O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C71H138O6/c1-6-7-8-9-10-11-12-13-14-19-26-31-36-41-46-51-56-61-69(72)75-64-68(77-71(74)63-58-53-48-43-38-33-28-23-18-16-21-25-30-35-40-45-50-55-60-67(4)5)65-76-70(73)62-57-52-47-42-37-32-27-22-17-15-20-24-29-34-39-44-49-54-59-66(2)3/h66-68H,6-65H2,1-5H3/t68-/m0/s1",LIPPVYQQNIZZBC,JCXMEWFRSA,N,TG(20:0/i-24:0/i-24:0),LIPPVYQQNIZZBC-JCXMEWFRSA-N
HMDB66250,988.939791713,C64H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C64H124O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-29-34-39-44-49-54-62(65)68-57-61(70-64(67)56-51-46-41-36-31-26-21-19-23-28-33-38-43-48-53-60(4)5)58-69-63(66)55-50-45-40-35-30-25-20-18-22-27-32-37-42-47-52-59(2)3/h59-61H,6-58H2,1-5H3/t61-/m1/s1",XGLGLOKMODHDTF,QRXDBQBNSA,N,TG(i-20:0/i-20:0/21:0),XGLGLOKMODHDTF-QRXDBQBNSA-N
HMDB66251,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C57H110O6/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-37-42-47-55(58)61-50-54(63-57(60)49-44-39-34-33-36-41-46-53(4)5)51-62-56(59)48-43-38-32-29-26-23-20-17-18-21-24-27-30-35-40-45-52(2)3/h52-54H,6-51H2,1-5H3/t54-/m0/s1",YSHNITUIDIUPIY,XSMLMOGHSA,N,TG(21:0/i-12:0/i-21:0),YSHNITUIDIUPIY-XSMLMOGHSA-N
HMDB66252,834.767641004,C53H102O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-18-20-22-24-26-27-29-31-33-35-38-40-43-46-52(55)58-49-50(59-53(56)47-44-41-36-15-12-9-6-3)48-57-51(54)45-42-39-37-34-32-30-28-25-23-21-19-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m1/s1",KWKPYLVIKIMWPU,VCZQVZGSSA,N,TG(21:0/10:0/19:0),KWKPYLVIKIMWPU-VCZQVZGSSA-N
HMDB66253,904.845891326,C58H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m1/s1",NMWSGPLIKCBWLV,KZRJWCEASA,N,TG(21:0/15:0/19:0),NMWSGPLIKCBWLV-KZRJWCEASA-N
HMDB66254,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,"InChI=1S/C53H102O6/c1-6-9-10-11-12-21-30-35-40-45-53(56)59-50(47-58-52(55)44-39-34-29-25-20-19-23-27-32-37-42-49(5)8-3)46-57-51(54)43-38-33-28-24-18-16-14-13-15-17-22-26-31-36-41-48(4)7-2/h48-50H,6-47H2,1-5H3/t48?,49?,50-/m0/s1",VADLGCMKQMXJOF,ZABJOTOOSA,N,TG(a-21:0/12:0/a-17:0)[rac],VADLGCMKQMXJOF-ZABJOTOOSA-N
HMDB66255,792.720690811,C50H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C50H96O6/c1-44(2)36-30-24-18-14-12-10-8-7-9-11-13-15-20-27-33-39-48(51)54-42-47(43-55-49(52)40-34-28-23-22-26-32-38-46(5)6)56-50(53)41-35-29-21-17-16-19-25-31-37-45(3)4/h44-47H,7-43H2,1-6H3/t47-/m0/s1",KNZDAYHNLHIPSK,MFERNQICSA,N,TG(i-21:0/i-14:0/i-12:0),KNZDAYHNLHIPSK-MFERNQICSA-N
HMDB66256,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1",HVTDZRWJURSSPA,XKJQNMSGSA,N,TG(21:0/15:0/22:0),HVTDZRWJURSSPA-XKJQNMSGSA-N
HMDB66257,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C64H124O6/c1-6-7-8-9-10-11-12-13-14-17-21-24-29-34-39-44-49-54-62(65)68-57-61(58-69-63(66)55-50-45-40-35-31-26-28-33-38-43-48-53-60(4)5)70-64(67)56-51-46-41-36-30-25-22-19-16-15-18-20-23-27-32-37-42-47-52-59(2)3/h59-61H,6-58H2,1-5H3/t61-/m0/s1",MQRCENBMLSMHJC,WMNDHARXSA,N,TG(20:0/i-24:0/i-17:0),MQRCENBMLSMHJC-WMNDHARXSA-N
HMDB66258,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C58H112O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-33-38-43-48-56(59)62-51-55(64-58(61)50-45-40-35-30-25-27-32-37-42-47-54(4)5)52-63-57(60)49-44-39-34-29-24-21-18-19-22-26-31-36-41-46-53(2)3/h53-55H,6-52H2,1-5H3/t55-/m0/s1",ZHNHRLQFKCAIGU,GNFJTHHVSA,N,TG(21:0/i-15:0/i-19:0),ZHNHRLQFKCAIGU-GNFJTHHVSA-N
HMDB66259,1016.971091842,C66H128O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C66H128O6/c1-5-8-10-12-14-16-18-20-22-25-30-34-38-42-46-50-54-58-65(68)71-61-63(60-70-64(67)57-53-49-45-41-37-33-28-21-19-17-15-13-11-9-6-2)72-66(69)59-55-51-47-43-39-35-31-27-24-23-26-29-32-36-40-44-48-52-56-62(4)7-3/h62-63H,5-61H2,1-4H3/t62?,63-/m1/s1",VZZPEAYLEMKAAF,SCAWFODCSA,N,TG(20:0/a-25:0/18:0)[rac],VZZPEAYLEMKAAF-SCAWFODCSA-N
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HMDB66261,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C61H118O6/c1-7-57(6)49-43-37-31-25-21-22-27-33-39-45-51-60(63)66-54-58(53-65-59(62)50-44-38-32-26-19-15-12-11-14-18-24-30-36-42-48-56(4)5)67-61(64)52-46-40-34-28-20-16-10-8-9-13-17-23-29-35-41-47-55(2)3/h55-58H,7-54H2,1-6H3/t57?,58-/m0/s1",WVEPDGUHSQGPBY,ISBVVKTBSA,N,TG(i-20:0/i-21:0/a-17:0)[rac],WVEPDGUHSQGPBY-ISBVVKTBSA-N
HMDB66262,1059.018042035,C69H134O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H134O6/c1-6-8-9-10-11-12-13-14-15-16-20-24-31-36-41-46-51-56-61-69(72)75-66(63-74-68(71)60-55-50-45-40-35-30-26-25-27-32-37-42-47-52-57-64(3)4)62-73-67(70)59-54-49-44-39-34-29-23-21-18-17-19-22-28-33-38-43-48-53-58-65(5)7-2/h64-66H,6-63H2,1-5H3/t65?,66-/m1/s1",QVLAWEPTBFXRCE,PCNFICSQSA,N,TG(i-20:0/21:0/a-25:0)[rac],QVLAWEPTBFXRCE-PCNFICSQSA-N
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HMDB66933,1073.033692099,C70H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C70H136O6/c1-5-7-9-11-13-15-17-19-21-23-25-31-35-39-43-47-51-55-59-63-70(73)76-67(64-74-68(71)61-57-53-49-45-41-37-33-29-24-22-20-18-16-14-12-10-8-6-2)65-75-69(72)62-58-54-50-46-42-38-34-30-27-26-28-32-36-40-44-48-52-56-60-66(3)4/h66-67H,5-65H2,1-4H3/t67-/m0/s1",IQDVEXGDVNTDTR,JVGAIOTISA,N,TG(21:0/22:0/i-24:0),IQDVEXGDVNTDTR-JVGAIOTISA-N
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HMDB66936,834.767641004,C53H102O6,[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-4-7-10-13-16-18-20-22-24-26-27-29-30-32-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-15-12-9-6-3)59-53(56)47-44-41-38-35-33-31-28-25-23-21-19-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m1/s1",XTCBQNORRXEFFG,VCZQVZGSSA,N,TG(21:0/19:0/10:0),XTCBQNORRXEFFG-VCZQVZGSSA-N
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HMDB67817,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C52H100O6/c1-46(2)38-32-26-20-15-13-11-9-7-8-10-12-14-16-23-29-35-41-50(53)56-44-49(58-52(55)43-37-31-25-19-22-28-34-40-48(5)6)45-57-51(54)42-36-30-24-18-17-21-27-33-39-47(3)4/h46-49H,7-45H2,1-6H3/t49-/m0/s1",HUKUPMAAUBOQET,GGCSAXROSA,N,TG(i-22:0/i-13:0/i-14:0),HUKUPMAAUBOQET-GGCSAXROSA-N
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HMDB67827,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-27-28-30-34-38-42-46-53(56)59-49-52(50-60-54(57)47-43-39-36-32-33-37-41-45-51(3)4)61-55(58)48-44-40-35-31-29-26-20-18-16-14-12-10-8-6-2/h51-52H,5-50H2,1-4H3/t52-/m0/s1",WMFFVWRUTZYZAC,MPLRIKRWSA,N,TG(22:0/17:0/i-13:0),WMFFVWRUTZYZAC-MPLRIKRWSA-N
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HMDB68234,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-29-33-37-41-45-52(55)58-48-51(60-54(57)47-43-39-35-30-25-16-14-12-10-8-6-2)49-59-53(56)46-42-38-34-31-27-28-32-36-40-44-50(3)4/h50-51H,5-49H2,1-4H3/t51-/m0/s1",KYYZFXJMXUIDEQ,XHIZWQFQSA,N,TG(22:0/14:0/i-15:0),KYYZFXJMXUIDEQ-XHIZWQFQSA-N
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HMDB68332,946.89284152,C61H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C61H118O6/c1-6-7-8-9-10-11-12-13-21-26-31-36-41-46-51-59(62)65-54-58(67-61(64)53-48-43-38-33-28-23-18-20-25-30-35-40-45-50-57(4)5)55-66-60(63)52-47-42-37-32-27-22-17-15-14-16-19-24-29-34-39-44-49-56(2)3/h56-58H,6-55H2,1-5H3/t58-/m1/s1",SBROKZCZWNMUDT,QPUWJJAWSA,N,TG(i-22:0/i-19:0/17:0),SBROKZCZWNMUDT-QPUWJJAWSA-N
HMDB68333,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,"InChI=1S/C54H104O6/c1-5-8-10-12-13-14-15-16-17-18-19-20-21-25-28-31-34-38-41-45-52(55)58-48-51(60-54(57)47-43-36-11-9-6-2)49-59-53(56)46-42-39-35-32-29-26-23-22-24-27-30-33-37-40-44-50(4)7-3/h50-51H,5-49H2,1-4H3/t50?,51-/m0/s1",LQGJFPYLGBPFDL,NPGUAINNSA,N,TG(22:0/8:0/a-21:0)[rac],LQGJFPYLGBPFDL-NPGUAINNSA-N
HMDB68334,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C52H100O6/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-35-39-43-50(53)56-46-49(47-57-51(54)44-40-36-33-32-34-38-42-48(3)4)58-52(55)45-41-37-31-29-26-18-16-14-12-10-8-6-2/h48-49H,5-47H2,1-4H3/t49-/m0/s1",CAFBQQUMZATTAE,GGCSAXROSA,N,TG(22:0/15:0/i-12:0),CAFBQQUMZATTAE-GGCSAXROSA-N
HMDB68335,1016.971091842,C66H128O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C66H128O6/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-37-41-45-49-53-57-64(67)70-60-63(72-66(69)59-55-51-47-43-39-35-31-24-22-20-18-16-14-12-10-8-6-2)61-71-65(68)58-54-50-46-42-38-34-30-27-26-28-32-36-40-44-48-52-56-62(3)4/h62-63H,5-61H2,1-4H3/t63-/m1/s1",ITYDECQBOINKRJ,AFLCPGBUSA,N,TG(i-22:0/20:0/21:0),ITYDECQBOINKRJ-AFLCPGBUSA-N
HMDB68336,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C57H110O6/c1-51(2)43-37-31-25-19-14-11-9-7-8-10-12-16-22-28-34-40-46-55(58)61-49-54(63-57(60)48-42-36-30-24-18-21-27-33-39-45-53(5)6)50-62-56(59)47-41-35-29-23-17-13-15-20-26-32-38-44-52(3)4/h51-54H,7-50H2,1-6H3/t54-/m0/s1",VHDXRBIPGVVQIQ,XSMLMOGHSA,N,TG(i-22:0/i-15:0/i-17:0),VHDXRBIPGVVQIQ-XSMLMOGHSA-N
HMDB68337,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C64H124O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-23-29-34-39-44-49-54-62(65)68-57-61(70-64(67)56-51-46-41-36-31-26-25-28-33-38-43-48-53-60(4)5)58-69-63(66)55-50-45-40-35-30-24-21-18-19-22-27-32-37-42-47-52-59(2)3/h59-61H,6-58H2,1-5H3/t61-/m0/s1",YQCPCGCGYVXDRC,WMNDHARXSA,N,TG(22:0/i-18:0/i-21:0),YQCPCGCGYVXDRC-WMNDHARXSA-N
HMDB68338,988.939791713,C64H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C64H124O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-28-32-35-39-43-47-51-55-62(65)68-58-61(70-64(67)57-53-49-45-41-37-31-20-18-16-14-12-10-8-6-2)59-69-63(66)56-52-48-44-40-36-33-29-26-25-27-30-34-38-42-46-50-54-60(3)4/h60-61H,5-59H2,1-4H3/t61-/m1/s1",FYJQAMGMBLHHNW,QRXDBQBNSA,N,TG(i-22:0/17:0/22:0),FYJQAMGMBLHHNW-QRXDBQBNSA-N
HMDB68339,1002.955441777,C65H126O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C65H126O6/c1-7-61(6)53-47-41-35-29-23-19-15-10-8-9-11-16-20-24-30-36-42-48-54-63(66)69-57-62(71-65(68)56-50-44-38-32-26-28-34-40-46-52-60(4)5)58-70-64(67)55-49-43-37-31-25-21-17-13-12-14-18-22-27-33-39-45-51-59(2)3/h59-62H,7-58H2,1-6H3/t61?,62-/m1/s1",DNRJZYHKGXTSGS,TXUWJPHCSA,N,TG(i-22:0/i-15:0/a-25:0)[rac],DNRJZYHKGXTSGS-TXUWJPHCSA-N
HMDB68340,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C60H116O6/c1-54(2)46-40-34-28-22-16-12-9-7-8-10-14-18-25-31-37-43-49-58(61)64-52-57(53-65-59(62)50-44-38-32-26-21-20-24-30-36-42-48-56(5)6)66-60(63)51-45-39-33-27-19-15-11-13-17-23-29-35-41-47-55(3)4/h54-57H,7-53H2,1-6H3/t57-/m0/s1",ALJRGPMCWNOISB,SMWREMLRSA,N,TG(i-22:0/i-19:0/i-16:0),ALJRGPMCWNOISB-SMWREMLRSA-N
HMDB68341,862.798941133,C55H106O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-18-20-22-24-26-27-29-31-33-35-37-40-42-45-48-54(57)60-51-52(61-55(58)49-46-43-38-15-12-9-6-3)50-59-53(56)47-44-41-39-36-34-32-30-28-25-23-21-19-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m1/s1",GTTSLUICMSQWAM,OIVUAWODSA,N,TG(22:0/10:0/20:0),GTTSLUICMSQWAM-OIVUAWODSA-N
HMDB68342,960.908491584,C62H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C62H120O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-37-42-47-52-60(63)66-55-59(68-62(65)54-49-44-39-34-33-36-41-46-51-58(5)7-2)56-67-61(64)53-48-43-38-32-29-26-23-20-19-21-24-27-30-35-40-45-50-57(3)4/h57-59H,6-56H2,1-5H3/t58?,59-/m1/s1",REGMZTWKVGYHKM,PFUDJBDGSA,N,TG(i-22:0/a-15:0/22:0)[rac],REGMZTWKVGYHKM-PFUDJBDGSA-N
HMDB68343,848.783291069,C54H104O6,[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-5-7-9-11-12-13-14-15-16-17-18-23-26-29-32-35-39-43-47-54(57)60-51(48-58-52(55)45-41-36-10-8-6-2)49-59-53(56)46-42-38-34-31-28-25-22-20-19-21-24-27-30-33-37-40-44-50(3)4/h50-51H,5-49H2,1-4H3/t51-/m1/s1",IOOQNEIPSFSGJC,NLXJDERGSA,N,TG(i-22:0/21:0/8:0),IOOQNEIPSFSGJC-NLXJDERGSA-N
HMDB68344,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-29-32-36-40-44-48-52-59(62)65-55-58(67-61(64)54-50-46-42-38-34-28-20-18-16-14-12-10-8-6-2)56-66-60(63)53-49-45-41-37-33-30-26-27-31-35-39-43-47-51-57(3)4/h57-58H,5-56H2,1-4H3/t58-/m0/s1",YDLNNLHIOQXZON,XKJQNMSGSA,N,TG(22:0/17:0/i-19:0),YDLNNLHIOQXZON-XKJQNMSGSA-N
HMDB68345,932.877191455,C60H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C60H116O6/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-35-40-45-50-58(61)64-53-57(66-60(63)52-47-42-37-32-31-34-39-44-49-56(4)5)54-65-59(62)51-46-41-36-30-27-24-21-18-17-19-22-25-28-33-38-43-48-55(2)3/h55-57H,6-54H2,1-5H3/t57-/m1/s1",ITGUGRVGEPIBES,ODEQYEIHSA,N,TG(i-22:0/i-14:0/21:0),ITGUGRVGEPIBES-ODEQYEIHSA-N
HMDB68346,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C64H124O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-34-39-44-49-54-62(65)68-57-61(58-69-63(66)55-50-45-40-35-30-26-21-23-28-33-38-43-48-53-60(4)5)70-64(67)56-51-46-41-36-31-25-20-19-22-27-32-37-42-47-52-59(2)3/h59-61H,6-58H2,1-5H3/t61-/m0/s1",FWANEZJTBFZYTC,WMNDHARXSA,N,TG(22:0/i-20:0/i-19:0),FWANEZJTBFZYTC-WMNDHARXSA-N
HMDB68347,932.877191455,C60H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C60H116O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-44-48-52-59(62)65-55-57(66-60(63)53-49-45-41-37-36-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h56-57H,5-55H2,1-4H3/t57-/m1/s1",IADZFUAUTPPHBE,ODEQYEIHSA,N,TG(22:0/i-14:0/21:0),IADZFUAUTPPHBE-ODEQYEIHSA-N
HMDB68348,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C59H114O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-39-44-49-57(60)63-52-56(65-59(62)51-46-41-36-35-38-43-48-55(4)5)53-64-58(61)50-45-40-34-31-28-25-22-19-18-20-23-26-29-32-37-42-47-54(2)3/h54-56H,6-53H2,1-5H3/t56-/m0/s1",OBURDAWZNGWZET,UWGNJQTFSA,N,TG(22:0/i-12:0/i-22:0),OBURDAWZNGWZET-UWGNJQTFSA-N
HMDB68349,862.798941133,C55H106O6,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-5-7-9-11-13-15-17-26-30-34-38-42-46-53(56)59-49-52(61-55(58)48-44-40-36-32-27-18-16-14-12-10-8-6-2)50-60-54(57)47-43-39-35-31-28-24-22-20-19-21-23-25-29-33-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m1/s1",AVOIFQHBIDSSNG,OIVUAWODSA,N,TG(i-22:0/15:0/15:0),AVOIFQHBIDSSNG-OIVUAWODSA-N
HMDB68350,974.924141648,C63H122O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C63H122O6/c1-7-58(5)50-44-38-32-26-20-16-13-14-18-22-30-36-42-48-54-63(66)69-60(56-68-62(65)53-47-41-35-29-24-23-27-33-39-45-51-59(6)8-2)55-67-61(64)52-46-40-34-28-21-17-12-10-9-11-15-19-25-31-37-43-49-57(3)4/h57-60H,7-56H2,1-6H3/t58?,59?,60-/m0/s1",ZFNRQJYHFSJRIQ,AYMZASOTSA,N,TG(i-22:0/a-21:0/a-17:0)[rac],ZFNRQJYHFSJRIQ-AYMZASOTSA-N
HMDB68351,792.720690811,C50H96O6,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1S/C50H96O6/c1-4-7-10-13-16-18-20-22-23-24-25-26-27-28-30-32-35-37-40-43-49(52)55-46-47(56-50(53)44-41-38-33-15-12-9-6-3)45-54-48(51)42-39-36-34-31-29-21-19-17-14-11-8-5-2/h47H,4-46H2,1-3H3/t47-/m1/s1",UYUIUXSVICADTD,QZNUWAOFSA,N,TG(22:0/10:0/15:0),UYUIUXSVICADTD-QZNUWAOFSA-N
HMDB68352,876.814591198,C56H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C56H108O6/c1-6-8-9-10-11-12-13-18-22-25-31-36-41-46-54(57)60-49-53(62-56(59)48-43-38-33-28-27-30-35-40-45-52(5)7-2)50-61-55(58)47-42-37-32-26-23-20-17-15-14-16-19-21-24-29-34-39-44-51(3)4/h51-53H,6-50H2,1-5H3/t52?,53-/m1/s1",MINPAMUWRCGHTB,JYYSSWGDSA,N,TG(i-22:0/a-15:0/16:0)[rac],MINPAMUWRCGHTB-JYYSSWGDSA-N
HMDB68353,792.720690811,C50H96O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,"InChI=1S/C50H96O6/c1-6-8-9-28-37-42-50(53)56-47(44-55-49(52)41-36-32-27-23-19-18-21-25-30-34-39-46(5)7-2)43-54-48(51)40-35-31-26-22-17-15-13-11-10-12-14-16-20-24-29-33-38-45(3)4/h45-47H,6-44H2,1-5H3/t46?,47-/m0/s1",UTJRWMNAWZZJAW,BRQCZXMFSA,N,TG(i-22:0/8:0/a-17:0)[rac],UTJRWMNAWZZJAW-BRQCZXMFSA-N
HMDB68354,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C60H116O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30-35-40-45-50-58(61)64-53-57(54-65-59(62)51-46-41-36-31-27-26-29-34-39-44-49-56(5)7-2)66-60(63)52-47-42-37-32-25-22-21-23-28-33-38-43-48-55(3)4/h55-57H,6-54H2,1-5H3/t56?,57-/m0/s1",QWFJGOJZUMLIIE,WAIPXTBSSA,N,TG(22:0/i-18:0/a-17:0)[rac],QWFJGOJZUMLIIE-WAIPXTBSSA-N
HMDB68355,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C57H110O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-32-37-42-47-55(58)61-50-54(63-57(60)49-44-39-34-29-31-36-41-46-53(4)5)51-62-56(59)48-43-38-33-28-25-22-19-20-23-26-30-35-40-45-52(2)3/h52-54H,6-51H2,1-5H3/t54-/m0/s1",KDMVOGMEQOCNBE,XSMLMOGHSA,N,TG(22:0/i-13:0/i-19:0),KDMVOGMEQOCNBE-XSMLMOGHSA-N
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HMDB68820,974.924141648,C63H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C63H122O6/c1-6-7-8-9-10-11-12-21-28-33-38-43-48-53-61(64)67-56-60(69-63(66)55-50-45-40-35-30-25-20-16-14-18-23-27-32-37-42-47-52-59(4)5)57-68-62(65)54-49-44-39-34-29-24-19-15-13-17-22-26-31-36-41-46-51-58(2)3/h58-60H,6-57H2,1-5H3/t60-/m1/s1",QAXGOUXCHOAHME,AKAJXFOGSA,N,TG(i-22:0/i-22:0/16:0),QAXGOUXCHOAHME-AKAJXFOGSA-N
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HMDB68822,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-6-7-8-9-10-11-27-34-39-44-49-57(60)63-54(51-62-56(59)48-43-38-33-29-24-20-16-18-22-26-31-36-41-46-53(4)5)50-61-55(58)47-42-37-32-28-23-19-15-13-12-14-17-21-25-30-35-40-45-52(2)3/h52-54H,6-51H2,1-5H3/t54-/m0/s1",UQLOGYMDRPQYFO,XSMLMOGHSA,N,TG(i-22:0/13:0/i-19:0),UQLOGYMDRPQYFO-XSMLMOGHSA-N
HMDB68823,932.877191455,C60H116O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C60H116O6/c1-6-8-9-10-33-42-47-52-60(63)66-57(54-65-59(62)51-46-41-37-32-28-24-20-16-15-17-21-25-29-34-38-43-48-55(3)4)53-64-58(61)50-45-40-36-31-27-23-19-14-12-11-13-18-22-26-30-35-39-44-49-56(5)7-2/h55-57H,6-54H2,1-5H3/t56?,57-/m1/s1",UVPRXEQOFRSXIN,PRGMGZSTSA,N,TG(i-22:0/10:0/a-25:0)[rac],UVPRXEQOFRSXIN-PRGMGZSTSA-N
HMDB68824,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C52H100O6/c1-46(2)38-32-26-20-16-13-11-9-7-8-10-12-14-18-22-29-35-41-50(53)56-44-49(45-57-51(54)42-36-30-25-24-28-34-40-48(5)6)58-52(55)43-37-31-23-19-15-17-21-27-33-39-47(3)4/h46-49H,7-45H2,1-6H3/t49-/m0/s1",LXXARVMOGYCBDW,GGCSAXROSA,N,TG(i-22:0/i-15:0/i-12:0),LXXARVMOGYCBDW-GGCSAXROSA-N
HMDB68825,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C55H106O6/c1-7-51(6)43-37-31-27-28-33-39-45-54(57)60-48-52(61-55(58)46-40-34-26-22-18-14-16-20-24-30-36-42-50(4)5)47-59-53(56)44-38-32-25-21-17-13-11-9-8-10-12-15-19-23-29-35-41-49(2)3/h49-52H,7-48H2,1-6H3/t51?,52-/m0/s1",BGAPJRJQQGSYRL,KRIWGXSWSA,N,TG(i-22:0/i-17:0/a-13:0)[rac],BGAPJRJQQGSYRL-KRIWGXSWSA-N
HMDB68826,862.798941133,C55H106O6,[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C55H106O6/c1-6-7-8-33-40-45-53(56)59-48-52(61-55(58)47-42-37-32-28-24-20-16-12-10-14-18-22-26-30-35-39-44-51(4)5)49-60-54(57)46-41-36-31-27-23-19-15-11-9-13-17-21-25-29-34-38-43-50(2)3/h50-52H,6-49H2,1-5H3/t52-/m1/s1",CYSILSURQKPKTP,OIVUAWODSA,N,TG(i-22:0/i-22:0/8:0),CYSILSURQKPKTP-OIVUAWODSA-N
HMDB68827,890.830241262,C57H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C57H110O6/c1-6-7-8-9-10-11-20-27-32-37-42-47-55(58)61-50-54(63-57(60)49-44-39-34-29-24-19-18-22-26-31-36-41-46-53(4)5)51-62-56(59)48-43-38-33-28-23-17-15-13-12-14-16-21-25-30-35-40-45-52(2)3/h52-54H,6-51H2,1-5H3/t54-/m1/s1",WJEAFAMPHKKQSA,AXAMJWTMSA,N,TG(i-22:0/i-18:0/14:0),WJEAFAMPHKKQSA-AXAMJWTMSA-N
HMDB68828,848.783291069,C54H104O6,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C54H104O6/c1-6-8-9-10-11-12-19-23-29-34-39-44-52(55)58-47-51(60-54(57)46-41-36-31-26-25-28-33-38-43-50(5)7-2)48-59-53(56)45-40-35-30-24-21-18-16-14-13-15-17-20-22-27-32-37-42-49(3)4/h49-51H,6-48H2,1-5H3/t50?,51-/m1/s1",TURYJXNYSZIMJE,HUWKAXHXSA,N,TG(i-22:0/a-15:0/14:0)[rac],TURYJXNYSZIMJE-HUWKAXHXSA-N
HMDB68829,974.924141648,C63H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m1/s1",QCXFGOQZBZCHOF,AKAJXFOGSA,N,TG(22:0/18:0/20:0),QCXFGOQZBZCHOF-AKAJXFOGSA-N
HMDB68830,988.939791713,C64H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C64H124O6/c1-6-7-8-9-10-11-12-13-14-18-24-29-34-39-44-49-54-62(65)68-57-61(70-64(67)56-51-46-41-36-31-26-21-20-23-28-33-38-43-48-53-60(4)5)58-69-63(66)55-50-45-40-35-30-25-19-16-15-17-22-27-32-37-42-47-52-59(2)3/h59-61H,6-58H2,1-5H3/t61-/m1/s1",TXJSXXBYOKXXEG,QRXDBQBNSA,N,TG(i-22:0/i-20:0/19:0),TXJSXXBYOKXXEG-QRXDBQBNSA-N
HMDB68831,904.845891326,C58H112O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-5-7-9-11-13-15-17-19-26-29-33-37-41-45-49-56(59)62-52-55(64-58(61)51-47-43-39-35-31-24-18-16-14-12-10-8-6-2)53-63-57(60)50-46-42-38-34-30-27-23-21-20-22-25-28-32-36-40-44-48-54(3)4/h54-55H,5-53H2,1-4H3/t55-/m1/s1",CKPYOJRPONEDGC,KZRJWCEASA,N,TG(i-22:0/16:0/17:0),CKPYOJRPONEDGC-KZRJWCEASA-N
HMDB68832,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-27-28-30-32-37-41-45-52(55)58-48-51(49-59-53(56)46-42-38-35-34-36-40-44-50(3)4)60-54(57)47-43-39-33-31-29-26-20-18-16-14-12-10-8-6-2/h50-51H,5-49H2,1-4H3/t51-/m0/s1",CXBNTVDKTOHXJK,XHIZWQFQSA,N,TG(22:0/17:0/i-12:0),CXBNTVDKTOHXJK-XHIZWQFQSA-N
HMDB68833,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C64H124O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-47-51-55-62(65)68-58-61(59-69-63(66)56-52-48-44-40-37-33-34-38-42-46-50-54-60(3)4)70-64(67)57-53-49-45-41-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h60-61H,5-59H2,1-4H3/t61-/m0/s1",VBUYWGKSVZQHLF,WMNDHARXSA,N,TG(22:0/22:0/i-17:0),VBUYWGKSVZQHLF-WMNDHARXSA-N
HMDB68834,1002.955441777,C65H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C65H126O6/c1-6-9-10-11-12-13-14-15-16-17-18-22-25-28-31-34-40-45-50-55-63(66)69-58-62(71-65(68)57-52-47-42-37-36-39-44-49-54-61(5)8-3)59-70-64(67)56-51-46-41-35-32-29-26-23-20-19-21-24-27-30-33-38-43-48-53-60(4)7-2/h60-62H,6-59H2,1-5H3/t60?,61?,62-/m0/s1",VCLDUOAUXSRTDL,WUVFDDMKSA,N,TG(22:0/a-15:0/a-25:0)[rac],VCLDUOAUXSRTDL-WUVFDDMKSA-N
HMDB68835,918.861541391,C59H114O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C59H114O6/c1-6-7-8-9-10-11-12-13-14-18-21-24-29-34-39-44-49-57(60)63-52-56(65-59(62)51-46-41-36-31-26-28-33-38-43-48-55(4)5)53-64-58(61)50-45-40-35-30-25-22-19-16-15-17-20-23-27-32-37-42-47-54(2)3/h54-56H,6-53H2,1-5H3/t56-/m1/s1",KKMOWWDVIZJNOT,LXXIDKMWSA,N,TG(i-22:0/i-15:0/19:0),KKMOWWDVIZJNOT-LXXIDKMWSA-N
HMDB68836,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C57H110O6/c1-5-7-9-11-13-14-15-16-17-18-19-20-24-27-30-33-37-40-44-48-55(58)61-51-54(63-57(60)50-46-42-35-12-10-8-6-2)52-62-56(59)49-45-41-38-34-31-28-25-22-21-23-26-29-32-36-39-43-47-53(3)4/h53-54H,5-52H2,1-4H3/t54-/m0/s1",JHTIVDXLQBGMDF,XSMLMOGHSA,N,TG(22:0/10:0/i-22:0),JHTIVDXLQBGMDF-XSMLMOGHSA-N
HMDB68837,890.830241262,C57H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C57H110O6/c1-5-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-41-45-49-56(59)62-52-54(63-57(60)50-46-42-38-37-39-43-47-53(4)7-3)51-61-55(58)48-44-40-35-33-31-29-27-23-21-19-17-15-13-11-9-6-2/h53-54H,5-52H2,1-4H3/t53?,54-/m1/s1",BTQOSFGETSIYDN,HVISTYRSSA,N,TG(22:0/a-13:0/19:0)[rac],BTQOSFGETSIYDN-HVISTYRSSA-N
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HMDB68839,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C59H114O6/c1-53(2)45-39-33-27-21-15-11-9-7-8-10-12-17-24-30-36-42-48-57(60)63-51-56(65-59(62)50-44-38-32-26-20-19-23-29-35-41-47-55(5)6)52-64-58(61)49-43-37-31-25-18-14-13-16-22-28-34-40-46-54(3)4/h53-56H,7-52H2,1-6H3/t56-/m0/s1",XCFIGKHECLQUCM,UWGNJQTFSA,N,TG(i-22:0/i-16:0/i-18:0),XCFIGKHECLQUCM-UWGNJQTFSA-N
HMDB68840,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C60H116O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30-35-40-45-50-58(61)64-53-57(66-60(63)52-47-42-37-32-27-26-29-34-39-44-49-56(5)7-2)54-65-59(62)51-46-41-36-31-25-22-21-23-28-33-38-43-48-55(3)4/h55-57H,6-54H2,1-5H3/t56?,57-/m0/s1",QITISTSVWZWIJK,WAIPXTBSSA,N,TG(22:0/a-17:0/i-18:0)[rac],QITISTSVWZWIJK-WAIPXTBSSA-N
HMDB68841,834.767641004,C53H102O6,[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C53H102O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-29-33-37-41-45-52(55)58-48-50(47-57-51(54)44-40-36-32-28-16-14-12-10-8-6-2)59-53(56)46-42-38-34-30-26-27-31-35-39-43-49(3)4/h49-50H,5-48H2,1-4H3/t50-/m1/s1",GLHMSBZNHANZPE,VCZQVZGSSA,N,TG(22:0/i-15:0/13:0),GLHMSBZNHANZPE-VCZQVZGSSA-N
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HMDB70519,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C61H118O6/c1-7-57(6)49-43-37-31-25-21-17-14-15-19-23-27-33-40-46-52-61(64)67-58(54-66-60(63)51-45-39-34-28-30-36-42-48-56(4)5)53-65-59(62)50-44-38-32-26-22-18-13-11-9-8-10-12-16-20-24-29-35-41-47-55(2)3/h55-58H,7-54H2,1-6H3/t57?,58-/m0/s1",NDSKOXHWBRKCMF,ISBVVKTBSA,N,TG(i-24:0/a-21:0/i-13:0)[rac],NDSKOXHWBRKCMF-ISBVVKTBSA-N
HMDB70520,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C53H102O6/c1-6-8-9-10-11-22-29-35-40-45-53(56)59-50(47-58-52(55)44-39-34-30-25-26-31-36-41-48(3)4)46-57-51(54)43-38-33-28-24-21-19-17-15-13-12-14-16-18-20-23-27-32-37-42-49(5)7-2/h48-50H,6-47H2,1-5H3/t49?,50-/m0/s1",SICIODCFICKKMC,GOOVXGPGSA,N,TG(a-25:0/12:0/i-13:0)[rac],SICIODCFICKKMC-GOOVXGPGSA-N
HMDB70521,988.939791713,C64H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,"InChI=1S/C64H124O6/c1-6-8-9-10-11-32-41-46-51-56-64(67)70-61(57-68-62(65)54-49-44-39-35-30-26-22-18-14-12-16-20-24-28-33-37-42-47-52-59(3)4)58-69-63(66)55-50-45-40-36-31-27-23-19-15-13-17-21-25-29-34-38-43-48-53-60(5)7-2/h59-61H,6-58H2,1-5H3/t60?,61-/m1/s1",GOXOFHFOOMKQMG,MBLVYYNZSA,N,TG(a-25:0/12:0/i-24:0)[rac],GOXOFHFOOMKQMG-MBLVYYNZSA-N
HMDB70522,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C61H118O6/c1-7-57(6)49-43-37-31-25-21-17-12-10-8-9-11-13-18-22-26-32-38-44-50-59(62)65-53-58(54-66-60(63)51-45-39-34-28-30-36-42-48-56(4)5)67-61(64)52-46-40-33-27-23-19-15-14-16-20-24-29-35-41-47-55(2)3/h55-58H,7-54H2,1-6H3/t57?,58-/m0/s1",KBJPEKFEGSLWSD,ISBVVKTBSA,N,TG(a-25:0/i-20:0/i-13:0)[rac],KBJPEKFEGSLWSD-ISBVVKTBSA-N
HMDB70523,988.939791713,C64H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C64H124O6/c1-5-7-9-11-13-15-17-19-21-28-31-35-39-43-47-51-55-62(65)68-58-61(70-64(67)57-53-49-45-41-37-33-26-20-18-16-14-12-10-8-6-2)59-69-63(66)56-52-48-44-40-36-32-29-25-23-22-24-27-30-34-38-42-46-50-54-60(3)4/h60-61H,5-59H2,1-4H3/t61-/m1/s1",HAXVYFOZJPNKKL,QRXDBQBNSA,N,TG(i-24:0/18:0/19:0),HAXVYFOZJPNKKL-QRXDBQBNSA-N
HMDB70524,1002.955441777,C65H126O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C65H126O6/c1-7-61(6)53-47-41-35-29-25-21-17-13-9-11-15-19-23-27-31-37-44-50-56-65(68)71-62(58-70-64(67)55-49-43-38-32-34-40-46-52-60(4)5)57-69-63(66)54-48-42-36-30-26-22-18-14-10-8-12-16-20-24-28-33-39-45-51-59(2)3/h59-62H,7-58H2,1-6H3/t61?,62-/m0/s1",KPYQFDGQBIPZRW,CTAQDZMASA,N,TG(i-24:0/a-25:0/i-13:0)[rac],KPYQFDGQBIPZRW-CTAQDZMASA-N
HMDB70525,890.830241262,C57H110O6,[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C57H110O6/c1-6-9-10-11-12-25-32-37-42-47-55(58)61-50-54(63-57(60)49-44-39-34-29-24-23-27-31-36-41-46-53(5)8-3)51-62-56(59)48-43-38-33-28-22-20-18-16-14-13-15-17-19-21-26-30-35-40-45-52(4)7-2/h52-54H,6-51H2,1-5H3/t52?,53?,54-/m1/s1",JQSRSYMFPMRZOE,ZGQYQFAGSA,N,TG(a-25:0/a-17:0/12:0)[rac],JQSRSYMFPMRZOE-ZGQYQFAGSA-N
HMDB70526,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-6-8-9-10-11-12-13-14-22-26-33-38-43-48-53-61(64)67-58(55-66-60(63)52-47-42-37-32-28-27-29-34-39-44-49-56(3)4)54-65-59(62)51-46-41-36-31-25-23-20-18-16-15-17-19-21-24-30-35-40-45-50-57(5)7-2/h56-58H,6-55H2,1-5H3/t57?,58-/m0/s1",XINZTTDGHPMKGZ,ISBVVKTBSA,N,TG(a-25:0/17:0/i-16:0)[rac],XINZTTDGHPMKGZ-ISBVVKTBSA-N
HMDB70527,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-6-7-8-9-10-11-28-35-40-45-50-58(61)64-55(52-63-57(60)49-44-39-34-30-25-21-20-23-27-32-37-42-47-54(4)5)51-62-56(59)48-43-38-33-29-24-19-17-15-13-12-14-16-18-22-26-31-36-41-46-53(2)3/h53-55H,6-52H2,1-5H3/t55-/m0/s1",ZHISTVLMRGJRSQ,GNFJTHHVSA,N,TG(i-24:0/13:0/i-18:0),ZHISTVLMRGJRSQ-GNFJTHHVSA-N
HMDB70528,1016.971091842,C66H128O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C66H128O6/c1-6-8-9-10-11-12-13-14-15-21-27-33-38-43-48-53-58-66(69)72-63(60-71-65(68)57-52-47-42-37-32-28-23-24-29-34-39-44-49-54-61(3)4)59-70-64(67)56-51-46-41-36-31-26-22-19-17-16-18-20-25-30-35-40-45-50-55-62(5)7-2/h61-63H,6-60H2,1-5H3/t62?,63-/m0/s1",KAEIXDPXLWZWON,QVWZQYPBSA,N,TG(a-25:0/19:0/i-19:0)[rac],KAEIXDPXLWZWON-QVWZQYPBSA-N
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HMDB70530,1101.064992228,C72H140O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C72H140O6/c1-7-68(6)60-54-48-42-36-30-24-17-13-9-11-15-19-26-32-38-44-50-56-62-71(74)77-65-69(78-72(75)63-57-51-45-39-33-27-21-20-23-29-35-41-47-53-59-67(4)5)64-76-70(73)61-55-49-43-37-31-25-18-14-10-8-12-16-22-28-34-40-46-52-58-66(2)3/h66-69H,7-65H2,1-6H3/t68?,69-/m0/s1",ODEULODAYUNSHA,DLSSZJRNSA,N,TG(i-24:0/i-20:0/a-25:0)[rac],ODEULODAYUNSHA-DLSSZJRNSA-N
HMDB70531,1073.033692099,C70H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C70H136O6/c1-7-66(6)58-52-46-40-34-28-22-16-10-8-9-11-17-23-29-35-41-47-53-59-68(71)74-62-67(76-70(73)61-55-49-43-37-31-25-19-13-15-21-27-33-39-45-51-57-65(4)5)63-75-69(72)60-54-48-42-36-30-24-18-12-14-20-26-32-38-44-50-56-64(2)3/h64-67H,7-63H2,1-6H3/t66?,67-/m0/s1",ATWNRIIJNNQWJN,VCOVODAVSA,N,TG(a-25:0/i-21:0/i-21:0)[rac],ATWNRIIJNNQWJN-VCOVODAVSA-N
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HMDB70533,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-6-8-9-10-11-12-30-37-42-47-52-60(63)66-57(54-65-59(62)51-46-41-36-32-27-23-19-20-24-28-33-38-43-48-55(3)4)53-64-58(61)50-45-40-35-31-26-22-18-16-14-13-15-17-21-25-29-34-39-44-49-56(5)7-2/h55-57H,6-54H2,1-5H3/t56?,57-/m0/s1",MAKIDJZVLQEONW,WAIPXTBSSA,N,TG(a-25:0/13:0/i-19:0)[rac],MAKIDJZVLQEONW-WAIPXTBSSA-N
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HMDB70535,876.814591198,C56H108O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C56H108O6/c1-5-7-9-11-13-15-16-17-25-28-32-35-39-43-47-54(57)60-50-53(62-56(59)49-45-41-37-30-14-12-10-8-6-2)51-61-55(58)48-44-40-36-33-29-26-23-21-19-18-20-22-24-27-31-34-38-42-46-52(3)4/h52-53H,5-51H2,1-4H3/t53-/m1/s1",SAZHJNVGMWFFBH,IONAWPRUSA,N,TG(i-24:0/12:0/17:0),SAZHJNVGMWFFBH-IONAWPRUSA-N
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HMDB70543,1030.986741906,C67H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C67H130O6/c1-7-63(6)55-49-43-37-31-25-21-17-13-9-11-14-18-22-26-32-38-44-50-56-65(68)71-59-64(60-72-66(69)57-51-45-39-34-28-30-36-42-48-54-62(4)5)73-67(70)58-52-46-40-33-27-23-19-15-10-8-12-16-20-24-29-35-41-47-53-61(2)3/h61-64H,7-60H2,1-6H3/t63?,64-/m0/s1",ZYJLYSQNPNWAMJ,DKTRMEIRSA,N,TG(a-25:0/i-24:0/i-15:0)[rac],ZYJLYSQNPNWAMJ-DKTRMEIRSA-N
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HMDB70546,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C64H124O6/c1-7-60(6)52-46-40-34-28-24-25-31-37-43-49-55-64(67)70-61(57-69-63(66)54-48-42-36-30-23-19-15-14-17-21-27-33-39-45-51-59(4)5)56-68-62(65)53-47-41-35-29-22-18-13-11-9-8-10-12-16-20-26-32-38-44-50-58(2)3/h58-61H,7-57H2,1-6H3/t60?,61-/m0/s1",JWDJOQMOUYJKBK,FPQJXDIVSA,N,TG(i-24:0/a-17:0/i-20:0)[rac],JWDJOQMOUYJKBK-FPQJXDIVSA-N
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HMDB70902,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C57H110O6/c1-7-53(6)45-39-33-26-22-18-14-12-10-8-9-11-13-15-19-23-27-34-40-46-55(58)61-49-54(63-57(60)48-42-36-30-29-32-38-44-52(4)5)50-62-56(59)47-41-35-28-24-20-16-17-21-25-31-37-43-51(2)3/h51-54H,7-50H2,1-6H3/t53?,54-/m0/s1",OKUKUJOMOLEOPK,IRYQEYNCSA,N,TG(a-25:0/i-12:0/i-17:0)[rac],OKUKUJOMOLEOPK-IRYQEYNCSA-N
HMDB70903,848.783291069,C54H104O6,[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C54H104O6/c1-6-7-8-9-10-11-20-24-29-34-39-44-52(55)58-47-51(60-54(57)46-41-36-31-26-28-33-38-43-50(4)5)48-59-53(56)45-40-35-30-25-22-19-17-15-13-12-14-16-18-21-23-27-32-37-42-49(2)3/h49-51H,6-48H2,1-5H3/t51-/m1/s1",WSKAKBIKNFDHEJ,NLXJDERGSA,N,TG(i-24:0/i-13:0/14:0),WSKAKBIKNFDHEJ-NLXJDERGSA-N
HMDB70904,974.924141648,C63H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C63H122O6/c1-6-8-9-10-11-12-13-28-33-38-43-48-53-61(64)67-56-60(69-63(66)55-50-45-40-35-30-25-21-20-23-27-32-37-42-47-52-59(5)7-2)57-68-62(65)54-49-44-39-34-29-24-19-17-15-14-16-18-22-26-31-36-41-46-51-58(3)4/h58-60H,6-57H2,1-5H3/t59?,60-/m1/s1",QBMCKXPHFYFTRF,UNMIHGIISA,N,TG(i-24:0/a-21:0/15:0)[rac],QBMCKXPHFYFTRF-UNMIHGIISA-N
HMDB70905,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-6-7-8-9-10-11-12-13-21-27-33-38-43-48-53-61(64)67-58(55-66-60(63)52-47-42-37-32-28-23-25-30-35-40-45-50-57(4)5)54-65-59(62)51-46-41-36-31-26-22-19-17-15-14-16-18-20-24-29-34-39-44-49-56(2)3/h56-58H,6-55H2,1-5H3/t58-/m0/s1",XAPPTAHTHYVRNZ,XKJQNMSGSA,N,TG(i-24:0/17:0/i-17:0),XAPPTAHTHYVRNZ-XKJQNMSGSA-N
HMDB70906,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C57H110O6/c1-7-53(6)45-39-33-27-20-16-14-12-10-8-9-11-13-15-17-21-28-34-40-46-55(58)61-49-54(50-62-56(59)47-41-35-29-24-23-26-32-38-44-52(4)5)63-57(60)48-42-36-30-22-18-19-25-31-37-43-51(2)3/h51-54H,7-50H2,1-6H3/t53?,54-/m0/s1",WVWGMALFRSQVRW,IRYQEYNCSA,N,TG(a-25:0/i-15:0/i-14:0)[rac],WVWGMALFRSQVRW-IRYQEYNCSA-N
HMDB70907,1073.033692099,C70H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C70H136O6/c1-7-66(6)58-52-46-40-34-28-22-18-19-25-31-37-43-49-55-61-70(73)76-67(63-75-69(72)60-54-48-42-36-30-24-17-13-12-15-21-27-33-39-45-51-57-65(4)5)62-74-68(71)59-53-47-41-35-29-23-16-11-9-8-10-14-20-26-32-38-44-50-56-64(2)3/h64-67H,7-63H2,1-6H3/t66?,67-/m0/s1",MKILZHVHFVVRNE,VCOVODAVSA,N,TG(i-24:0/a-21:0/i-22:0)[rac],MKILZHVHFVVRNE-VCOVODAVSA-N
HMDB70908,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C58H112O6/c1-6-7-8-9-31-40-45-50-58(61)64-55(52-63-57(60)49-44-39-35-30-26-22-18-14-16-20-24-28-33-37-42-47-54(4)5)51-62-56(59)48-43-38-34-29-25-21-17-13-11-10-12-15-19-23-27-32-36-41-46-53(2)3/h53-55H,6-52H2,1-5H3/t55-/m0/s1",ISVAPTYRUZQHQW,GNFJTHHVSA,N,TG(i-24:0/10:0/i-21:0),ISVAPTYRUZQHQW-GNFJTHHVSA-N
HMDB70909,974.924141648,C63H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,"InChI=1S/C63H122O6/c1-5-8-10-12-14-16-18-19-20-21-22-26-29-32-35-39-42-46-50-54-61(64)67-57-60(69-63(66)56-52-48-44-38-17-15-13-11-9-6-2)58-68-62(65)55-51-47-43-40-36-33-30-27-24-23-25-28-31-34-37-41-45-49-53-59(4)7-3/h59-60H,5-58H2,1-4H3/t59?,60-/m1/s1",MVGOVDZGDQEUPG,UNMIHGIISA,N,TG(a-25:0/13:0/22:0)[rac],MVGOVDZGDQEUPG-UNMIHGIISA-N
HMDB70910,848.783291069,C54H104O6,[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C54H104O6/c1-5-7-9-11-13-15-16-26-31-35-39-43-47-54(57)60-51(48-58-52(55)45-41-37-33-28-14-12-10-8-6-2)49-59-53(56)46-42-38-34-30-27-24-22-20-18-17-19-21-23-25-29-32-36-40-44-50(3)4/h50-51H,5-49H2,1-4H3/t51-/m1/s1",CQDZAEXUXXUPJF,NLXJDERGSA,N,TG(i-24:0/15:0/12:0),CQDZAEXUXXUPJF-NLXJDERGSA-N
HMDB70911,960.908491584,C62H120O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C62H120O6/c1-7-58(6)50-44-38-32-25-21-17-14-15-19-23-27-34-40-46-52-61(64)67-55-59(68-62(65)53-47-41-35-29-28-31-37-43-49-57(4)5)54-66-60(63)51-45-39-33-26-22-18-13-11-9-8-10-12-16-20-24-30-36-42-48-56(2)3/h56-59H,7-55H2,1-6H3/t58?,59-/m0/s1",NBQSTEDSULNMID,AUPLRJEGSA,N,TG(i-24:0/i-14:0/a-21:0)[rac],NBQSTEDSULNMID-AUPLRJEGSA-N
HMDB70912,946.89284152,C61H118O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-5-7-9-11-13-15-17-18-19-20-24-27-30-33-37-40-44-48-52-59(62)65-55-58(67-61(64)54-50-46-42-36-16-14-12-10-8-6-2)56-66-60(63)53-49-45-41-38-34-31-28-25-22-21-23-26-29-32-35-39-43-47-51-57(3)4/h57-58H,5-56H2,1-4H3/t58-/m1/s1",DKHNTBLUMGKVRR,QPUWJJAWSA,N,TG(i-24:0/13:0/21:0),DKHNTBLUMGKVRR-QPUWJJAWSA-N
HMDB70913,988.939791713,C64H124O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C64H124O6/c1-5-7-9-11-13-15-17-19-20-21-25-28-32-35-39-43-47-51-55-62(65)68-58-61(70-64(67)57-53-49-45-41-37-30-18-16-14-12-10-8-6-2)59-69-63(66)56-52-48-44-40-36-33-29-26-23-22-24-27-31-34-38-42-46-50-54-60(3)4/h60-61H,5-59H2,1-4H3/t61-/m1/s1",RLELGITVPDDLNW,QRXDBQBNSA,N,TG(i-24:0/16:0/21:0),RLELGITVPDDLNW-QRXDBQBNSA-N
HMDB70914,1016.971091842,C66H128O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C66H128O6/c1-5-8-10-12-14-16-18-20-22-25-31-35-39-43-47-51-55-59-66(69)72-63(60-70-64(67)57-53-49-45-41-37-33-28-21-19-17-15-13-11-9-6-2)61-71-65(68)58-54-50-46-42-38-34-30-27-24-23-26-29-32-36-40-44-48-52-56-62(4)7-3/h62-63H,5-61H2,1-4H3/t62?,63-/m1/s1",HOQOUXUOXHSBPS,SCAWFODCSA,N,TG(a-25:0/20:0/18:0)[rac],HOQOUXUOXHSBPS-SCAWFODCSA-N
HMDB70915,960.908491584,C62H120O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C62H120O6/c1-6-7-8-9-10-11-12-13-18-22-27-32-37-42-47-52-60(63)66-55-59(68-62(65)54-49-44-39-34-29-24-26-31-36-41-46-51-58(4)5)56-67-61(64)53-48-43-38-33-28-23-20-17-15-14-16-19-21-25-30-35-40-45-50-57(2)3/h57-59H,6-56H2,1-5H3/t59-/m1/s1",VEWKAOWATHAAEM,OBEXFZABSA,N,TG(i-24:0/i-17:0/18:0),VEWKAOWATHAAEM-OBEXFZABSA-N
HMDB70916,1073.033692099,C70H136O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C70H136O6/c1-7-66(6)58-52-46-40-34-28-21-17-13-9-11-15-19-23-30-36-42-48-54-60-69(72)75-63-67(76-70(73)61-55-49-43-37-31-25-24-27-33-39-45-51-57-65(4)5)62-74-68(71)59-53-47-41-35-29-22-18-14-10-8-12-16-20-26-32-38-44-50-56-64(2)3/h64-67H,7-63H2,1-6H3/t66?,67-/m0/s1",GFNQUHYOKHRUJA,VCOVODAVSA,N,TG(i-24:0/i-18:0/a-25:0)[rac],GFNQUHYOKHRUJA-VCOVODAVSA-N
HMDB70917,932.877191455,C60H116O6,[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C60H116O6/c1-6-7-8-9-10-28-35-40-45-50-58(61)64-53-57(66-60(63)52-47-42-37-32-27-23-19-15-17-21-25-30-34-39-44-49-56(4)5)54-65-59(62)51-46-41-36-31-26-22-18-14-12-11-13-16-20-24-29-33-38-43-48-55(2)3/h55-57H,6-54H2,1-5H3/t57-/m1/s1",KHTCBIFGENTQFL,ODEQYEIHSA,N,TG(i-24:0/i-21:0/12:0),KHTCBIFGENTQFL-ODEQYEIHSA-N
HMDB70918,1030.986741906,C67H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C67H130O6/c1-6-7-8-9-10-11-12-13-14-15-16-21-24-27-34-39-44-49-54-59-67(70)73-64(61-72-66(69)58-53-48-43-38-33-29-28-31-36-41-46-51-56-63(4)5)60-71-65(68)57-52-47-42-37-32-26-23-20-18-17-19-22-25-30-35-40-45-50-55-62(2)3/h62-64H,6-61H2,1-5H3/t64-/m0/s1",ZDBRSDJOTWZFDO,JVUALNACSA,N,TG(i-24:0/22:0/i-18:0),ZDBRSDJOTWZFDO-JVUALNACSA-N
HMDB70919,932.877191455,C60H116O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C60H116O6/c1-6-7-8-9-10-11-12-19-26-32-37-42-47-52-60(63)66-57(54-65-59(62)51-46-41-36-31-27-22-24-29-34-39-44-49-56(4)5)53-64-58(61)50-45-40-35-30-25-21-18-16-14-13-15-17-20-23-28-33-38-43-48-55(2)3/h55-57H,6-54H2,1-5H3/t57-/m0/s1",XIVURTDYJWPZJO,SMWREMLRSA,N,TG(i-24:0/16:0/i-17:0),XIVURTDYJWPZJO-SMWREMLRSA-N
HMDB70920,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C59H114O6/c1-7-54(5)46-40-34-28-22-17-15-13-11-9-10-12-14-16-18-23-30-36-42-48-57(60)63-51-56(65-59(62)50-44-38-32-26-25-29-35-41-47-55(6)8-2)52-64-58(61)49-43-37-31-24-20-19-21-27-33-39-45-53(3)4/h53-56H,7-52H2,1-6H3/t54?,55?,56-/m0/s1",PMPFJXIETFIIRB,GOUNWNKQSA,N,TG(a-25:0/a-15:0/i-16:0)[rac],PMPFJXIETFIIRB-GOUNWNKQSA-N
HMDB70921,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C58H112O6/c1-52(2)44-38-32-26-21-17-13-11-9-7-8-10-12-14-19-23-29-35-41-47-56(59)62-50-55(64-58(61)49-43-37-31-25-28-34-40-46-54(5)6)51-63-57(60)48-42-36-30-24-20-16-15-18-22-27-33-39-45-53(3)4/h52-55H,7-51H2,1-6H3/t55-/m0/s1",DJQWUHURHHHZOZ,GNFJTHHVSA,N,TG(i-24:0/i-13:0/i-18:0),DJQWUHURHHHZOZ-GNFJTHHVSA-N
HMDB70922,988.939791713,C64H124O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C64H124O6/c1-7-59(5)51-45-39-33-27-23-19-15-11-9-10-12-16-20-24-28-35-41-47-53-62(65)68-56-61(57-69-63(66)54-48-42-36-31-30-34-40-46-52-60(6)8-2)70-64(67)55-49-43-37-29-25-21-17-13-14-18-22-26-32-38-44-50-58(3)4/h58-61H,7-57H2,1-6H3/t59?,60?,61-/m0/s1",GIIPKUFPKIUJBP,MRXWWTGASA,N,TG(a-25:0/i-21:0/a-15:0)[rac],GIIPKUFPKIUJBP-MRXWWTGASA-N
HMDB70923,1002.955441777,C65H126O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C65H126O6/c1-5-7-9-11-13-15-17-19-21-24-30-34-38-42-46-50-54-58-65(68)71-62(59-69-63(66)56-52-48-44-40-36-32-27-20-18-16-14-12-10-8-6-2)60-70-64(67)57-53-49-45-41-37-33-29-26-23-22-25-28-31-35-39-43-47-51-55-61(3)4/h61-62H,5-60H2,1-4H3/t62-/m1/s1",KEFRSNIDABJWQU,YEASRJMDSA,N,TG(i-24:0/20:0/18:0),KEFRSNIDABJWQU-YEASRJMDSA-N
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HMDB70927,890.830241262,C57H110O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C57H110O6/c1-5-7-9-11-13-15-16-17-22-26-29-33-36-40-44-48-55(58)61-51-54(63-57(60)50-46-42-38-31-14-12-10-8-6-2)52-62-56(59)49-45-41-37-34-30-27-24-21-19-18-20-23-25-28-32-35-39-43-47-53(3)4/h53-54H,5-52H2,1-4H3/t54-/m1/s1",SOGNJASNRFDOCF,AXAMJWTMSA,N,TG(i-24:0/12:0/18:0),SOGNJASNRFDOCF-AXAMJWTMSA-N
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HMDB70929,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C61H118O6/c1-6-8-9-10-11-12-24-33-38-43-48-53-61(64)67-58(55-66-60(63)52-47-42-37-32-28-23-19-20-25-29-34-39-44-49-56(3)4)54-65-59(62)51-46-41-36-31-27-22-18-16-14-13-15-17-21-26-30-35-40-45-50-57(5)7-2/h56-58H,6-55H2,1-5H3/t57?,58-/m0/s1",RKRKYTHHVDSBDC,ISBVVKTBSA,N,TG(a-25:0/14:0/i-19:0)[rac],RKRKYTHHVDSBDC-ISBVVKTBSA-N
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HMDB70936,918.861541391,C59H114O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C59H114O6/c1-6-8-9-10-32-41-46-51-59(62)65-56(53-64-58(61)50-45-40-36-31-27-23-19-15-16-20-24-28-33-37-42-47-54(3)4)52-63-57(60)49-44-39-35-30-26-22-18-14-12-11-13-17-21-25-29-34-38-43-48-55(5)7-2/h54-56H,6-53H2,1-5H3/t55?,56-/m0/s1",JYHKMOOUJFJSAM,POGSWUJUSA,N,TG(a-25:0/10:0/i-21:0)[rac],JYHKMOOUJFJSAM-POGSWUJUSA-N
HMDB70937,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-6-8-9-10-11-12-13-14-19-24-27-30-33-40-45-50-58(61)64-55(52-63-57(60)49-44-39-35-34-37-42-47-54(5)7-2)51-62-56(59)48-43-38-32-29-26-23-21-18-16-15-17-20-22-25-28-31-36-41-46-53(3)4/h53-55H,6-52H2,1-5H3/t54?,55-/m0/s1",GGAGIMGESBPGDN,OIHVTOTMSA,N,TG(i-24:0/18:0/a-13:0)[rac],GGAGIMGESBPGDN-OIHVTOTMSA-N
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HMDB70939,1045.00239197,C68H132O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C68H132O6/c1-7-64(6)56-50-44-38-32-26-20-15-17-22-28-34-40-46-52-58-67(70)73-61-65(74-68(71)59-53-47-41-35-29-23-16-14-19-25-31-37-43-49-55-63(4)5)60-72-66(69)57-51-45-39-33-27-21-13-11-9-8-10-12-18-24-30-36-42-48-54-62(2)3/h62-65H,7-61H2,1-6H3/t64?,65-/m0/s1",ZGXATRMGSYNDOZ,MZOVCEAQSA,N,TG(i-24:0/i-20:0/a-21:0)[rac],ZGXATRMGSYNDOZ-MZOVCEAQSA-N
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HMDB70941,806.736340876,C51H98O6,[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,"InChI=1S/C51H98O6/c1-5-8-10-12-14-15-27-31-34-38-42-49(52)55-45-48(57-51(54)44-40-36-29-13-11-9-6-2)46-56-50(53)43-39-35-32-28-25-23-21-19-17-16-18-20-22-24-26-30-33-37-41-47(4)7-3/h47-48H,5-46H2,1-4H3/t47?,48-/m1/s1",ZQTFMPHAHQKXAO,YZMWRMHMSA,N,TG(a-25:0/10:0/13:0)[rac],ZQTFMPHAHQKXAO-YZMWRMHMSA-N
HMDB70942,1030.986741906,C67H130O6,[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C67H130O6/c1-6-8-9-10-11-12-13-14-27-34-39-44-49-54-59-67(70)73-64(61-72-66(69)58-53-48-43-38-33-29-24-20-19-21-25-30-35-40-45-50-55-62(3)4)60-71-65(68)57-52-47-42-37-32-28-23-18-16-15-17-22-26-31-36-41-46-51-56-63(5)7-2/h62-64H,6-61H2,1-5H3/t63?,64-/m0/s1",YDWXUQVEIOSJHP,DKTRMEIRSA,N,TG(a-25:0/17:0/i-22:0)[rac],YDWXUQVEIOSJHP-DKTRMEIRSA-N
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HMDB70944,974.924141648,C63H122O6,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C63H122O6/c1-6-9-10-11-12-13-14-15-16-19-23-26-29-32-38-43-48-53-61(64)67-56-60(69-63(66)55-50-45-40-35-34-37-42-47-52-59(5)8-3)57-68-62(65)54-49-44-39-33-30-27-24-21-18-17-20-22-25-28-31-36-41-46-51-58(4)7-2/h58-60H,6-57H2,1-5H3/t58?,59?,60-/m1/s1",PAMRJMVXGREAQU,JGEUCBSLSA,N,TG(a-25:0/a-15:0/20:0)[rac],PAMRJMVXGREAQU-JGEUCBSLSA-N
HMDB70945,820.75199094,C52H100O6,[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C52H100O6/c1-6-8-9-10-25-32-37-42-50(53)56-45-49(58-52(55)44-39-34-29-24-23-27-31-36-41-48(5)7-2)46-57-51(54)43-38-33-28-22-20-18-16-14-12-11-13-15-17-19-21-26-30-35-40-47(3)4/h47-49H,6-46H2,1-5H3/t48?,49-/m1/s1",GKJXGQCJFPBTLC,LGJKLLRXSA,N,TG(i-24:0/a-15:0/10:0)[rac],GKJXGQCJFPBTLC-LGJKLLRXSA-N
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HMDB71219,694.61114036,C43H82O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C43H82O6/c1-5-7-9-11-12-19-24-28-32-36-43(46)49-40(37-47-41(44)34-30-25-10-8-6-2)38-48-42(45)35-31-27-23-21-18-16-14-13-15-17-20-22-26-29-33-39(3)4/h39-40H,5-38H2,1-4H3/t40-/m0/s1",GMGWWJRURBYOOT,FAIXQHPJSA,N,TG(8:0/12:0/i-20:0),GMGWWJRURBYOOT-FAIXQHPJSA-N
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HMDB71229,708.626790425,C44H84O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1S/C44H84O6/c1-4-7-10-13-15-17-18-19-20-21-22-23-24-25-27-28-31-34-37-43(46)49-40-41(39-48-42(45)36-33-30-12-9-6-3)50-44(47)38-35-32-29-26-16-14-11-8-5-2/h41H,4-40H2,1-3H3/t41-/m0/s1",XSDGOYCZDSWJLY,RWYGWLOXSA,N,TG(8:0/12:0/21:0),XSDGOYCZDSWJLY-RWYGWLOXSA-N
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HMDB71272,750.673740618,C47H90O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C47H90O6/c1-6-9-10-11-20-27-32-37-45(48)51-40-44(41-52-46(49)38-33-28-24-23-26-31-36-43(5)8-3)53-47(50)39-34-29-22-19-17-15-13-12-14-16-18-21-25-30-35-42(4)7-2/h42-44H,6-41H2,1-5H3/t42?,43?,44-/m0/s1",CSMKSUNCLXSNPW,DOGOYTCJSA,N,TG(10:0/a-21:0/a-13:0)[rac],CSMKSUNCLXSNPW-DOGOYTCJSA-N
HMDB71273,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-5-7-9-11-13-14-15-16-17-18-19-20-25-28-31-34-38-42-46-50-57(60)63-54(51-61-55(58)48-44-40-35-12-10-8-6-2)52-62-56(59)49-45-41-37-33-30-27-24-22-21-23-26-29-32-36-39-43-47-53(3)4/h53-54H,5-52H2,1-4H3/t54-/m0/s1",IDVWQGRITIBQMM,XSMLMOGHSA,N,TG(10:0/22:0/i-22:0),IDVWQGRITIBQMM-XSMLMOGHSA-N
HMDB71274,680.595490296,C42H80O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C42H80O6/c1-6-7-8-20-27-32-40(43)46-35-39(48-42(45)34-29-24-19-15-17-22-26-31-38(4)5)36-47-41(44)33-28-23-18-14-12-10-9-11-13-16-21-25-30-37(2)3/h37-39H,6-36H2,1-5H3/t39-/m0/s1",SREKYRCPNHGXOV,KDXMTYKHSA,N,TG(8:0/i-13:0/i-18:0),SREKYRCPNHGXOV-KDXMTYKHSA-N
HMDB71275,652.564190167,C40H76O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C40H76O6/c1-6-7-8-9-13-20-25-30-38(41)44-33-37(34-45-39(42)31-26-21-17-12-15-19-24-29-36(4)5)46-40(43)32-27-22-16-11-10-14-18-23-28-35(2)3/h35-37H,6-34H2,1-5H3/t37-/m0/s1",FMTYEYYXALJSLG,QNGWXLTQSA,N,TG(10:0/i-14:0/i-13:0),FMTYEYYXALJSLG-QNGWXLTQSA-N
HMDB71276,610.517239974,C37H70O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C37H70O6/c1-5-7-9-11-12-13-18-22-26-30-37(40)43-34(31-41-35(38)28-24-19-10-8-6-2)32-42-36(39)29-25-21-17-15-14-16-20-23-27-33(3)4/h33-34H,5-32H2,1-4H3/t34-/m0/s1",DOAZPJLUQNFSAG,UMSFTDKQSA,N,TG(8:0/12:0/i-14:0),DOAZPJLUQNFSAG-UMSFTDKQSA-N
HMDB71277,596.50158991,C36H68O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,"InChI=1S/C36H68O6/c1-4-7-10-13-15-17-19-21-24-27-30-36(39)42-33(31-40-34(37)28-25-22-12-9-6-3)32-41-35(38)29-26-23-20-18-16-14-11-8-5-2/h33H,4-32H2,1-3H3/t33-/m0/s1",YVJHEFUDEWKVBD,XIFFEERXSA,N,TG(8:0/13:0/12:0),YVJHEFUDEWKVBD-XIFFEERXSA-N
HMDB71278,946.89284152,C61H118O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C61H118O6/c1-6-9-10-39-46-51-59(62)65-54-58(67-61(64)53-48-43-38-34-30-26-22-18-14-12-16-20-24-28-32-36-41-45-50-57(5)8-3)55-66-60(63)52-47-42-37-33-29-25-21-17-13-11-15-19-23-27-31-35-40-44-49-56(4)7-2/h56-58H,6-55H2,1-5H3/t56?,57?,58-/m0/s1",YKIAWNWWVHJALS,UPJARBDLSA,N,TG(8:0/a-25:0/a-25:0)[rac],YKIAWNWWVHJALS-UPJARBDLSA-N
HMDB71279,820.75199094,C52H100O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C52H100O6/c1-6-8-9-10-25-32-37-42-50(53)56-45-49(58-52(55)44-39-34-29-24-20-19-22-27-31-36-41-48(5)7-2)46-57-51(54)43-38-33-28-23-18-16-14-12-11-13-15-17-21-26-30-35-40-47(3)4/h47-49H,6-46H2,1-5H3/t48?,49-/m0/s1",GDFKQMZNZXUGJZ,NGOJWKRASA,N,TG(10:0/a-17:0/i-22:0)[rac],GDFKQMZNZXUGJZ-NGOJWKRASA-N
HMDB71280,764.689390682,C48H92O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C48H92O6/c1-5-7-9-11-13-14-15-17-22-25-29-33-37-41-48(51)54-45(42-52-46(49)39-35-31-26-12-10-8-6-2)43-53-47(50)40-36-32-28-24-21-19-16-18-20-23-27-30-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m0/s1",ORWPWYCIWQKJGK,GWHBCOKCSA,N,TG(10:0/16:0/i-19:0),ORWPWYCIWQKJGK-GWHBCOKCSA-N
HMDB71281,792.720690811,C50H96O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C50H96O6/c1-5-7-9-11-13-14-15-16-17-18-19-23-26-30-34-38-42-49(52)55-45-47(44-54-48(51)41-37-33-28-12-10-8-6-2)56-50(53)43-39-35-31-27-24-21-20-22-25-29-32-36-40-46(3)4/h46-47H,5-45H2,1-4H3/t47-/m0/s1",XOUDSXDORVJQQY,MFERNQICSA,N,TG(10:0/i-18:0/19:0),XOUDSXDORVJQQY-MFERNQICSA-N
HMDB71282,722.642440489,C45H86O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C45H86O6/c1-6-8-9-23-30-35-43(46)49-38-42(39-50-44(47)36-31-26-22-18-19-24-28-33-40(3)4)51-45(48)37-32-27-21-17-15-13-11-10-12-14-16-20-25-29-34-41(5)7-2/h40-42H,6-39H2,1-5H3/t41?,42-/m0/s1",XOTXNCIMHLOQAQ,QWRJABQPSA,N,TG(8:0/a-21:0/i-13:0)[rac],XOTXNCIMHLOQAQ-QWRJABQPSA-N
HMDB71283,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-5-7-9-11-13-14-15-16-21-26-29-32-36-40-44-48-55(58)61-52(49-59-53(56)46-42-38-33-12-10-8-6-2)50-60-54(57)47-43-39-35-31-28-25-23-20-18-17-19-22-24-27-30-34-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m0/s1",XLGUFPFEEWHIMX,MPLRIKRWSA,N,TG(10:0/18:0/i-24:0),XLGUFPFEEWHIMX-MPLRIKRWSA-N
HMDB71284,624.532890038,C38H72O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H72O6/c1-5-7-9-11-12-13-14-15-16-17-23-27-31-38(41)44-35(32-42-36(39)29-25-20-10-8-6-2)33-43-37(40)30-26-22-19-18-21-24-28-34(3)4/h34-35H,5-33H2,1-4H3/t35-/m0/s1",XPLTYPFWWWRDII,DHUJRADRSA,N,TG(8:0/15:0/i-12:0),XPLTYPFWWWRDII-DHUJRADRSA-N
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HMDB71288,610.517239974,C37H70O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C37H70O6/c1-5-7-9-11-13-14-16-21-25-29-36(39)42-32-34(31-41-35(38)28-24-20-15-12-10-8-6-2)43-37(40)30-26-22-18-17-19-23-27-33(3)4/h33-34H,5-32H2,1-4H3/t34-/m0/s1",QPJSTSBCEIUDCH,UMSFTDKQSA,N,TG(10:0/i-12:0/12:0),QPJSTSBCEIUDCH-UMSFTDKQSA-N
HMDB71289,708.626790425,C44H84O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C44H84O6/c1-6-8-9-22-29-34-42(45)48-37-41(50-44(47)36-31-26-21-20-23-27-32-39(3)4)38-49-43(46)35-30-25-19-17-15-13-11-10-12-14-16-18-24-28-33-40(5)7-2/h39-41H,6-38H2,1-5H3/t40?,41-/m0/s1",LJMBDPVZYHZMSZ,ABUZLUSGSA,N,TG(8:0/i-12:0/a-21:0)[rac],LJMBDPVZYHZMSZ-ABUZLUSGSA-N
HMDB71290,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-16-18-20-22-24-26-27-29-31-33-35-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-32-30-28-25-23-21-19-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",GQZOPEHKTJMBHO,MPLRIKRWSA,N,TG(10:0/22:0/20:0),GQZOPEHKTJMBHO-MPLRIKRWSA-N
HMDB71291,778.705040747,C49H94O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C49H94O6/c1-5-7-9-11-12-13-14-15-16-17-18-19-24-27-30-34-38-42-49(52)55-46(43-53-47(50)40-36-31-10-8-6-2)44-54-48(51)41-37-33-29-26-23-21-20-22-25-28-32-35-39-45(3)4/h45-46H,5-44H2,1-4H3/t46-/m0/s1",BXJOLCOWGVDBIE,DXQCBLCSSA,N,TG(8:0/20:0/i-18:0),BXJOLCOWGVDBIE-DXQCBLCSSA-N
HMDB71292,666.579840232,C41H78O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C41H78O6/c1-6-7-8-9-14-21-26-31-39(42)45-34-38(35-46-40(43)32-27-22-18-17-20-25-30-37(4)5)47-41(44)33-28-23-16-13-11-10-12-15-19-24-29-36(2)3/h36-38H,6-35H2,1-5H3/t38-/m0/s1",RRGAGCJAEPJPNH,LHEWISCISA,N,TG(10:0/i-16:0/i-12:0),RRGAGCJAEPJPNH-LHEWISCISA-N
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HMDB71412,666.579840232,C41H78O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C41H78O6/c1-5-7-9-11-12-13-14-19-22-26-30-34-41(44)47-38(35-45-39(42)32-28-23-10-8-6-2)36-46-40(43)33-29-25-21-18-16-15-17-20-24-27-31-37(3)4/h37-38H,5-36H2,1-4H3/t38-/m0/s1",DQECDYQFHSJWNU,LHEWISCISA,N,TG(8:0/14:0/i-16:0),DQECDYQFHSJWNU-LHEWISCISA-N
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HMDB71416,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C56H108O6/c1-6-8-9-34-41-46-54(57)60-49-53(50-61-55(58)47-42-37-32-28-24-20-17-16-18-22-26-30-35-39-44-51(3)4)62-56(59)48-43-38-33-29-25-21-15-13-11-10-12-14-19-23-27-31-36-40-45-52(5)7-2/h51-53H,6-50H2,1-5H3/t52?,53-/m0/s1",MDQLCBXSRZQPQG,FMZUJJTGSA,N,TG(8:0/a-25:0/i-20:0)[rac],MDQLCBXSRZQPQG-FMZUJJTGSA-N
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HMDB71418,624.532890038,C38H72O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C38H72O6/c1-5-8-10-12-13-14-15-16-17-22-26-30-37(40)43-33-35(32-42-36(39)29-25-20-11-9-6-2)44-38(41)31-27-23-19-18-21-24-28-34(4)7-3/h34-35H,5-33H2,1-4H3/t34?,35-/m0/s1",AGXUHMUDYVUMEY,HTIIIDOHSA,N,TG(8:0/a-13:0/14:0)[rac],AGXUHMUDYVUMEY-HTIIIDOHSA-N
HMDB71419,848.783291069,C54H104O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C54H104O6/c1-5-8-10-12-14-15-16-17-18-19-20-24-27-30-34-38-42-46-53(56)59-49-51(48-58-52(55)45-41-37-32-13-11-9-6-2)60-54(57)47-43-39-35-31-28-25-22-21-23-26-29-33-36-40-44-50(4)7-3/h50-51H,5-49H2,1-4H3/t50?,51-/m0/s1",DRZGNHIDBMETMD,NPGUAINNSA,N,TG(10:0/a-21:0/20:0)[rac],DRZGNHIDBMETMD-NPGUAINNSA-N
HMDB71420,764.689390682,C48H92O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C48H92O6/c1-5-7-9-11-12-13-14-15-16-17-18-23-26-29-33-37-41-48(51)54-45(42-52-46(49)39-35-30-10-8-6-2)43-53-47(50)40-36-32-28-25-22-20-19-21-24-27-31-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m0/s1",YKTHBCFIGYIPGP,GWHBCOKCSA,N,TG(8:0/19:0/i-18:0),YKTHBCFIGYIPGP-GWHBCOKCSA-N
HMDB71421,722.642440489,C45H86O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C45H86O6/c1-6-7-8-23-30-35-43(46)49-38-42(39-50-44(47)36-31-26-21-17-14-13-16-20-25-29-34-41(4)5)51-45(48)37-32-27-22-18-12-10-9-11-15-19-24-28-33-40(2)3/h40-42H,6-39H2,1-5H3/t42-/m0/s1",BXCNKTZTIHLTFT,WBCKFURZSA,N,TG(8:0/i-18:0/i-16:0),BXCNKTZTIHLTFT-WBCKFURZSA-N
HMDB71422,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C57H110O6/c1-6-9-10-35-42-47-55(58)61-50-54(51-62-56(59)48-43-38-33-29-25-21-18-17-20-24-28-32-37-41-46-53(5)8-3)63-57(60)49-44-39-34-30-26-22-16-14-12-11-13-15-19-23-27-31-36-40-45-52(4)7-2/h52-54H,6-51H2,1-5H3/t52?,53?,54-/m0/s1",WUQUBGLIPVBPSZ,OKTFGQEQSA,N,TG(8:0/a-25:0/a-21:0)[rac],WUQUBGLIPVBPSZ-OKTFGQEQSA-N
HMDB71423,624.532890038,C38H72O6,[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C38H72O6/c1-5-7-9-11-17-22-26-30-37(40)43-33-35(32-42-36(39)29-25-20-10-8-6-2)44-38(41)31-27-23-19-16-14-12-13-15-18-21-24-28-34(3)4/h34-35H,5-33H2,1-4H3/t35-/m1/s1",LPJZFYVXRLMCBV,PGUFJCEWSA,N,TG(10:0/i-17:0/8:0),LPJZFYVXRLMCBV-PGUFJCEWSA-N
HMDB71424,764.689390682,C48H92O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C48H92O6/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-28-33-37-41-48(51)54-45(42-52-46(49)39-35-31-26-12-10-8-6-2)43-53-47(50)40-36-32-29-25-27-30-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m0/s1",LLTPJYAUQYXXOO,GWHBCOKCSA,N,TG(10:0/22:0/i-13:0),LLTPJYAUQYXXOO-GWHBCOKCSA-N
HMDB71425,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C55H106O6/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-12-9-6-3)61-55(58)49-46-43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1",XWOSYCDRUNZGNP,MPLRIKRWSA,N,TG(8:0/22:0/22:0),XWOSYCDRUNZGNP-MPLRIKRWSA-N
HMDB71426,722.642440489,C45H86O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C45H86O6/c1-4-7-10-13-16-18-20-22-24-26-29-32-35-38-44(47)50-41-42(40-49-43(46)37-34-31-28-15-12-9-6-3)51-45(48)39-36-33-30-27-25-23-21-19-17-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1",WBURFJXMBPWRIG,WBCKFURZSA,N,TG(10:0/16:0/16:0),WBURFJXMBPWRIG-WBCKFURZSA-N
HMDB71427,694.61114036,C43H82O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C43H82O6/c1-6-9-10-11-16-23-28-33-41(44)47-36-40(49-43(46)35-30-25-20-15-13-18-22-27-32-39(5)8-3)37-48-42(45)34-29-24-19-14-12-17-21-26-31-38(4)7-2/h38-40H,6-37H2,1-5H3/t38?,39?,40-/m0/s1",IYNWEKFCEHWMDY,FFXSEXPZSA,N,TG(10:0/a-15:0/a-15:0)[rac],IYNWEKFCEHWMDY-FFXSEXPZSA-N
HMDB71428,876.814591198,C56H108O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C56H108O6/c1-5-7-9-11-13-14-15-16-17-18-19-20-23-26-29-32-36-40-44-48-55(58)61-51-53(50-60-54(57)47-43-39-34-12-10-8-6-2)62-56(59)49-45-41-37-33-30-27-24-21-22-25-28-31-35-38-42-46-52(3)4/h52-53H,5-51H2,1-4H3/t53-/m0/s1",UANRDYMWCURPGU,DTSDQNDWSA,N,TG(10:0/i-21:0/22:0),UANRDYMWCURPGU-DTSDQNDWSA-N
HMDB71429,764.689390682,C48H92O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C48H92O6/c1-5-7-9-11-13-14-15-16-17-22-25-29-33-37-41-48(51)54-45(42-52-46(49)39-35-31-26-12-10-8-6-2)43-53-47(50)40-36-32-28-24-21-19-18-20-23-27-30-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m0/s1",UYJIMOOYHLVCKO,GWHBCOKCSA,N,TG(10:0/17:0/i-18:0),UYJIMOOYHLVCKO-GWHBCOKCSA-N
HMDB71430,722.642440489,C45H86O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C45H86O6/c1-6-7-8-9-18-25-30-35-43(46)49-38-42(51-45(48)37-32-27-22-21-24-29-34-41(4)5)39-50-44(47)36-31-26-20-17-15-13-11-10-12-14-16-19-23-28-33-40(2)3/h40-42H,6-39H2,1-5H3/t42-/m0/s1",LHKNTORIQRLIFC,WBCKFURZSA,N,TG(10:0/i-12:0/i-20:0),LHKNTORIQRLIFC-WBCKFURZSA-N
HMDB71431,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C58H112O6/c1-5-8-10-12-14-15-16-17-18-21-26-29-32-35-39-43-47-51-58(61)64-55(52-62-56(59)49-45-41-36-13-11-9-6-2)53-63-57(60)50-46-42-38-34-31-28-25-23-20-19-22-24-27-30-33-37-40-44-48-54(4)7-3/h54-55H,5-53H2,1-4H3/t54?,55-/m0/s1",RWZSYYRQLHVLIE,OIHVTOTMSA,N,TG(10:0/20:0/a-25:0)[rac],RWZSYYRQLHVLIE-OIHVTOTMSA-N
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HMDB71990,708.626790425,C44H84O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C44H84O6/c1-5-7-9-11-13-19-25-29-33-37-44(47)50-41(38-48-42(45)35-31-27-22-12-10-8-6-2)39-49-43(46)36-32-28-24-21-18-16-14-15-17-20-23-26-30-34-40(3)4/h40-41H,5-39H2,1-4H3/t41-/m0/s1",XRBPYMKDLINNHF,RWYGWLOXSA,N,TG(10:0/12:0/i-19:0),XRBPYMKDLINNHF-RWYGWLOXSA-N
HMDB71991,722.642440489,C45H86O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C45H86O6/c1-5-7-9-11-12-13-14-15-16-17-18-19-22-26-30-34-38-45(48)51-42(39-49-43(46)36-32-27-10-8-6-2)40-50-44(47)37-33-29-25-23-20-21-24-28-31-35-41(3)4/h41-42H,5-40H2,1-4H3/t42-/m0/s1",AAEDVOLFYYONLY,WBCKFURZSA,N,TG(8:0/19:0/i-15:0),AAEDVOLFYYONLY-WBCKFURZSA-N
HMDB71992,862.798941133,C55H106O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C55H106O6/c1-6-7-8-9-28-35-40-45-53(56)59-48-52(49-60-54(57)46-41-36-31-26-22-18-15-14-17-21-25-30-34-39-44-51(4)5)61-55(58)47-42-37-32-27-23-19-13-11-10-12-16-20-24-29-33-38-43-50(2)3/h50-52H,6-49H2,1-5H3/t52-/m0/s1",XYJLMWBINVVMIK,MPLRIKRWSA,N,TG(10:0/i-22:0/i-20:0),XYJLMWBINVVMIK-MPLRIKRWSA-N
HMDB71993,778.705040747,C49H94O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C49H94O6/c1-6-9-10-27-34-39-47(50)53-42-46(55-49(52)41-36-31-26-22-18-17-20-24-29-33-38-45(5)8-3)43-54-48(51)40-35-30-25-21-16-14-12-11-13-15-19-23-28-32-37-44(4)7-2/h44-46H,6-43H2,1-5H3/t44?,45?,46-/m0/s1",SHLQQFMLVMSNSN,DZJLPJKCSA,N,TG(8:0/a-17:0/a-21:0)[rac],SHLQQFMLVMSNSN-DZJLPJKCSA-N
HMDB71994,722.642440489,C45H86O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C45H86O6/c1-4-7-10-13-15-17-18-19-20-21-22-23-24-25-26-28-30-33-36-39-45(48)51-42(40-49-43(46)37-34-31-12-9-6-3)41-50-44(47)38-35-32-29-27-16-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1",KCZKVSFTNKEHNC,WBCKFURZSA,N,TG(8:0/22:0/12:0),KCZKVSFTNKEHNC-WBCKFURZSA-N
HMDB71995,778.705040747,C49H94O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C49H94O6/c1-6-8-9-10-22-29-34-39-47(50)53-42-46(55-49(52)41-36-31-26-21-17-16-19-24-28-33-38-45(5)7-2)43-54-48(51)40-35-30-25-20-15-13-11-12-14-18-23-27-32-37-44(3)4/h44-46H,6-43H2,1-5H3/t45?,46-/m0/s1",YZJHNEPLZHVJBI,RIVVNBGWSA,N,TG(10:0/a-17:0/i-19:0)[rac],YZJHNEPLZHVJBI-RIVVNBGWSA-N
HMDB71996,792.720690811,C50H96O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C50H96O6/c1-5-7-9-11-13-14-15-16-17-20-24-27-31-35-39-43-50(53)56-47(44-54-48(51)41-37-33-28-12-10-8-6-2)45-55-49(52)42-38-34-30-26-23-21-18-19-22-25-29-32-36-40-46(3)4/h46-47H,5-45H2,1-4H3/t47-/m0/s1",MWOVJUGXQHORRI,MFERNQICSA,N,TG(10:0/18:0/i-19:0),MWOVJUGXQHORRI-MFERNQICSA-N
HMDB71997,708.626790425,C44H84O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C44H84O6/c1-5-7-9-11-12-13-14-15-16-17-21-24-28-32-36-43(46)49-39-41(38-48-42(45)35-31-26-10-8-6-2)50-44(47)37-33-29-25-22-19-18-20-23-27-30-34-40(3)4/h40-41H,5-39H2,1-4H3/t41-/m0/s1",JYPICSIQAYPCRB,RWYGWLOXSA,N,TG(8:0/i-16:0/17:0),JYPICSIQAYPCRB-RWYGWLOXSA-N
HMDB71998,638.548540103,C39H74O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,"InChI=1S/C39H74O6/c1-5-8-10-12-13-14-15-20-24-28-32-39(42)45-36(33-43-37(40)30-26-21-11-9-6-2)34-44-38(41)31-27-23-19-17-16-18-22-25-29-35(4)7-3/h35-36H,5-34H2,1-4H3/t35?,36-/m0/s1",JPWLJLXTSFZFKD,UHBYFKDRSA,N,TG(8:0/13:0/a-15:0)[rac],JPWLJLXTSFZFKD-UHBYFKDRSA-N
HMDB71999,736.658090554,C46H88O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C46H88O6/c1-6-7-8-24-31-36-44(47)50-39-43(40-51-45(48)37-32-27-22-18-15-11-13-17-21-26-30-35-42(4)5)52-46(49)38-33-28-23-19-14-10-9-12-16-20-25-29-34-41(2)3/h41-43H,6-40H2,1-5H3/t43-/m0/s1",UAQPYFQOVAWWIK,QLKFWGTOSA,N,TG(8:0/i-18:0/i-17:0),UAQPYFQOVAWWIK-QLKFWGTOSA-N
HMDB72000,694.61114036,C43H82O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C43H82O6/c1-6-7-8-9-16-23-28-33-41(44)47-36-40(37-48-42(45)34-29-24-20-19-22-27-32-39(4)5)49-43(46)35-30-25-18-15-13-11-10-12-14-17-21-26-31-38(2)3/h38-40H,6-37H2,1-5H3/t40-/m0/s1",ZLFQKYIURUYCRD,FAIXQHPJSA,N,TG(10:0/i-18:0/i-12:0),ZLFQKYIURUYCRD-FAIXQHPJSA-N
HMDB72001,680.595490296,C42H80O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C42H80O6/c1-6-7-8-9-15-22-27-32-40(43)46-35-39(36-47-41(44)33-28-23-19-14-17-21-26-31-38(4)5)48-42(45)34-29-24-18-13-11-10-12-16-20-25-30-37(2)3/h37-39H,6-36H2,1-5H3/t39-/m0/s1",MGUNZAAFWGWBQR,KDXMTYKHSA,N,TG(10:0/i-16:0/i-13:0),MGUNZAAFWGWBQR-KDXMTYKHSA-N
HMDB72002,666.579840232,C41H78O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C41H78O6/c1-5-7-9-11-12-17-21-25-29-33-40(43)46-36-38(35-45-39(42)32-28-23-10-8-6-2)47-41(44)34-30-26-22-19-16-14-13-15-18-20-24-27-31-37(3)4/h37-38H,5-36H2,1-4H3/t38-/m0/s1",UJQCRKAQPUANAJ,LHEWISCISA,N,TG(8:0/i-18:0/12:0),UJQCRKAQPUANAJ-LHEWISCISA-N
HMDB72003,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C53H102O6/c1-5-8-10-12-14-15-16-17-18-19-24-27-30-34-38-42-46-53(56)59-50(47-57-51(54)44-40-36-31-13-11-9-6-2)48-58-52(55)45-41-37-33-29-26-23-21-20-22-25-28-32-35-39-43-49(4)7-3/h49-50H,5-48H2,1-4H3/t49?,50-/m0/s1",KZOJHVQILUVUIQ,GOOVXGPGSA,N,TG(10:0/19:0/a-21:0)[rac],KZOJHVQILUVUIQ-GOOVXGPGSA-N
HMDB72004,666.579840232,C41H78O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C41H78O6/c1-6-9-10-11-14-21-26-31-39(42)45-34-38(47-41(44)33-28-23-18-17-20-25-30-37(5)8-3)35-46-40(43)32-27-22-16-13-12-15-19-24-29-36(4)7-2/h36-38H,6-35H2,1-5H3/t36?,37?,38-/m0/s1",LQPNDFINZTXCEA,KLQRRAJASA,N,TG(10:0/a-13:0/a-15:0)[rac],LQPNDFINZTXCEA-KLQRRAJASA-N
HMDB72005,806.736340876,C51H98O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C51H98O6/c1-6-8-9-10-24-31-36-41-49(52)55-44-48(45-56-50(53)42-37-32-27-22-19-15-16-20-25-29-34-39-46(3)4)57-51(54)43-38-33-28-23-18-14-12-11-13-17-21-26-30-35-40-47(5)7-2/h46-48H,6-45H2,1-5H3/t47?,48-/m0/s1",QSQHXZWDXAENIC,HOMNMMCZSA,N,TG(10:0/a-21:0/i-17:0)[rac],QSQHXZWDXAENIC-HOMNMMCZSA-N
HMDB72006,596.50158991,C36H68O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C36H68O6/c1-6-7-8-14-21-26-34(37)40-29-33(42-36(39)28-23-18-13-12-16-20-25-32(4)5)30-41-35(38)27-22-17-11-9-10-15-19-24-31(2)3/h31-33H,6-30H2,1-5H3/t33-/m0/s1",FDIKNHBQKVTDMO,XIFFEERXSA,N,TG(8:0/i-12:0/i-13:0),FDIKNHBQKVTDMO-XIFFEERXSA-N
HMDB72007,680.595490296,C42H80O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C42H80O6/c1-6-7-8-20-27-32-40(43)46-35-39(36-47-41(44)33-28-23-18-15-14-17-22-26-31-38(4)5)48-42(45)34-29-24-19-13-11-9-10-12-16-21-25-30-37(2)3/h37-39H,6-36H2,1-5H3/t39-/m0/s1",XJPGVCZBKKHHSB,KDXMTYKHSA,N,TG(8:0/i-17:0/i-14:0),XJPGVCZBKKHHSB-KDXMTYKHSA-N
HMDB72008,680.595490296,C42H80O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C42H80O6/c1-5-7-9-11-13-14-18-22-26-30-34-41(44)47-37-39(36-46-40(43)33-29-25-20-12-10-8-6-2)48-42(45)35-31-27-23-19-16-15-17-21-24-28-32-38(3)4/h38-39H,5-37H2,1-4H3/t39-/m0/s1",LJPPABFZAWJFQU,KDXMTYKHSA,N,TG(10:0/i-16:0/13:0),LJPPABFZAWJFQU-KDXMTYKHSA-N
HMDB72009,764.689390682,C48H92O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C48H92O6/c1-6-8-9-26-33-38-46(49)52-41-45(42-53-47(50)39-34-29-24-20-17-16-18-22-27-31-36-43(3)4)54-48(51)40-35-30-25-21-15-13-11-10-12-14-19-23-28-32-37-44(5)7-2/h43-45H,6-42H2,1-5H3/t44?,45-/m0/s1",POZZSXFTJHWDCH,AXFIPLKASA,N,TG(8:0/a-21:0/i-16:0)[rac],POZZSXFTJHWDCH-AXFIPLKASA-N
HMDB72010,666.579840232,C41H78O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C41H78O6/c1-6-8-9-19-26-31-39(42)45-34-38(47-41(44)33-28-23-18-14-15-20-24-29-36(3)4)35-46-40(43)32-27-22-17-13-11-10-12-16-21-25-30-37(5)7-2/h36-38H,6-35H2,1-5H3/t37?,38-/m0/s1",XYMLNUWMNWBOTD,OALPUDEUSA,N,TG(8:0/i-13:0/a-17:0)[rac],XYMLNUWMNWBOTD-OALPUDEUSA-N
HMDB72011,652.564190167,C40H76O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C40H76O6/c1-4-7-10-13-16-18-19-20-22-25-28-31-34-40(43)46-37(35-44-38(41)32-29-26-23-15-12-9-6-3)36-45-39(42)33-30-27-24-21-17-14-11-8-5-2/h37H,4-36H2,1-3H3/t37-/m0/s1",WBMJFYYAKIOFNR,QNGWXLTQSA,N,TG(10:0/15:0/12:0),WBMJFYYAKIOFNR-QNGWXLTQSA-N
HMDB72012,708.626790425,C44H84O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C44H84O6/c1-6-7-8-9-17-24-29-34-42(45)48-37-41(50-44(47)36-31-26-21-16-19-23-28-33-40(4)5)38-49-43(46)35-30-25-20-15-13-11-10-12-14-18-22-27-32-39(2)3/h39-41H,6-38H2,1-5H3/t41-/m0/s1",ALMZTSDHEZZNMJ,RWYGWLOXSA,N,TG(10:0/i-13:0/i-18:0),ALMZTSDHEZZNMJ-RWYGWLOXSA-N
HMDB72013,680.595490296,C42H80O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,"InChI=1S/C42H80O6/c1-5-7-9-11-21-26-29-33-40(43)46-36-39(48-42(45)35-31-24-10-8-6-2)37-47-41(44)34-30-27-23-20-18-16-14-12-13-15-17-19-22-25-28-32-38(3)4/h38-39H,5-37H2,1-4H3/t39-/m0/s1",DBCCOMIJYUYJBZ,KDXMTYKHSA,N,TG(10:0/8:0/i-21:0),DBCCOMIJYUYJBZ-KDXMTYKHSA-N
HMDB72014,666.579840232,C41H78O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C41H78O6/c1-5-7-9-11-13-14-15-16-17-21-26-30-34-41(44)47-38(35-45-39(42)32-28-24-19-12-10-8-6-2)36-46-40(43)33-29-25-22-18-20-23-27-31-37(3)4/h37-38H,5-36H2,1-4H3/t38-/m0/s1",NHTJLHPGMBIXBE,LHEWISCISA,N,TG(10:0/15:0/i-13:0),NHTJLHPGMBIXBE-LHEWISCISA-N
HMDB72015,904.845891326,C58H112O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C58H112O6/c1-6-8-9-10-31-38-43-48-56(59)62-51-55(64-58(61)50-45-40-35-30-26-22-18-17-19-23-27-32-36-41-46-53(3)4)52-63-57(60)49-44-39-34-29-25-21-16-14-12-11-13-15-20-24-28-33-37-42-47-54(5)7-2/h53-55H,6-52H2,1-5H3/t54?,55-/m0/s1",NARKLKCKXAMEGS,OIHVTOTMSA,N,TG(10:0/i-20:0/a-25:0)[rac],NARKLKCKXAMEGS-OIHVTOTMSA-N
HMDB72016,764.689390682,C48H92O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C48H92O6/c1-5-7-9-11-13-14-15-17-21-24-28-32-36-40-47(50)53-43-45(42-52-46(49)39-35-31-26-12-10-8-6-2)54-48(51)41-37-33-29-25-22-19-16-18-20-23-27-30-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m0/s1",RQMABWLLIYTNEM,GWHBCOKCSA,N,TG(10:0/i-19:0/16:0),RQMABWLLIYTNEM-GWHBCOKCSA-N
HMDB72017,736.658090554,C46H88O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C46H88O6/c1-6-8-9-10-19-26-31-36-44(47)50-39-43(52-46(49)38-33-28-23-18-17-21-25-30-35-42(5)7-2)40-51-45(48)37-32-27-22-16-14-12-11-13-15-20-24-29-34-41(3)4/h41-43H,6-40H2,1-5H3/t42?,43-/m0/s1",YDALSUYXOXSOJA,ZZLFMUNJSA,N,TG(10:0/a-15:0/i-18:0)[rac],YDALSUYXOXSOJA-ZZLFMUNJSA-N
HMDB72018,680.595490296,C42H80O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C42H80O6/c1-6-8-9-20-27-32-40(43)46-35-39(36-47-41(44)33-28-23-18-15-14-17-22-26-31-38(5)7-2)48-42(45)34-29-24-19-13-11-10-12-16-21-25-30-37(3)4/h37-39H,6-36H2,1-5H3/t38?,39-/m0/s1",QAHPAOHOFQSWMP,RVFUZGKFSA,N,TG(8:0/i-16:0/a-15:0)[rac],QAHPAOHOFQSWMP-RVFUZGKFSA-N
HMDB72019,624.532890038,C38H72O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C38H72O6/c1-5-7-9-11-12-13-14-15-16-17-22-26-30-37(40)43-33-35(32-42-36(39)29-25-20-10-8-6-2)44-38(41)31-27-23-19-18-21-24-28-34(3)4/h34-35H,5-33H2,1-4H3/t35-/m0/s1",BQLFWPSCGOWTHM,DHUJRADRSA,N,TG(8:0/i-12:0/15:0),BQLFWPSCGOWTHM-DHUJRADRSA-N
HMDB72020,890.830241262,C57H110O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C57H110O6/c1-5-8-10-12-14-15-16-17-18-24-28-31-34-38-42-46-50-57(60)63-54(51-61-55(58)48-44-40-35-13-11-9-6-2)52-62-56(59)49-45-41-37-33-30-27-25-22-20-19-21-23-26-29-32-36-39-43-47-53(4)7-3/h53-54H,5-52H2,1-4H3/t53?,54-/m0/s1",ATCNVLGILIEHNC,IRYQEYNCSA,N,TG(10:0/19:0/a-25:0)[rac],ATCNVLGILIEHNC-IRYQEYNCSA-N
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HMDB72830,736.658090554,C46H88O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C46H88O6/c1-5-7-9-11-12-13-14-15-16-17-18-19-24-27-31-35-39-46(49)52-43(40-50-44(47)37-33-28-10-8-6-2)41-51-45(48)38-34-30-26-23-21-20-22-25-29-32-36-42(3)4/h42-43H,5-41H2,1-4H3/t43-/m0/s1",CVEGZTJHVZUFIW,QLKFWGTOSA,N,TG(8:0/19:0/i-16:0),CVEGZTJHVZUFIW-QLKFWGTOSA-N
HMDB72831,652.564190167,C40H76O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C40H76O6/c1-6-8-9-18-25-30-38(41)44-33-37(34-45-39(42)31-26-21-17-16-19-23-28-35(3)4)46-40(43)32-27-22-15-13-11-10-12-14-20-24-29-36(5)7-2/h35-37H,6-34H2,1-5H3/t36?,37-/m0/s1",CNQLBCZASGELDJ,RWXFGYRSSA,N,TG(8:0/a-17:0/i-12:0)[rac],CNQLBCZASGELDJ-RWXFGYRSSA-N
HMDB72832,708.626790425,C44H84O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C44H84O6/c1-6-8-9-22-29-34-42(45)48-37-41(38-49-43(46)35-30-25-21-20-23-27-32-39(3)4)50-44(47)36-31-26-19-17-15-13-11-10-12-14-16-18-24-28-33-40(5)7-2/h39-41H,6-38H2,1-5H3/t40?,41-/m0/s1",RWNBFKMGLHCILH,ABUZLUSGSA,N,TG(8:0/a-21:0/i-12:0)[rac],RWNBFKMGLHCILH-ABUZLUSGSA-N
HMDB72833,694.61114036,C43H82O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C43H82O6/c1-4-7-10-13-15-17-19-20-21-22-23-24-26-28-31-34-37-43(46)49-40(38-47-41(44)35-32-29-12-9-6-3)39-48-42(45)36-33-30-27-25-18-16-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m0/s1",KEDJVOHERBDNPT,FAIXQHPJSA,N,TG(8:0/19:0/13:0),KEDJVOHERBDNPT-FAIXQHPJSA-N
HMDB72834,834.767641004,C53H102O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C53H102O6/c1-5-7-9-11-13-14-15-16-19-23-26-29-33-37-41-45-52(55)58-48-50(47-57-51(54)44-40-36-31-12-10-8-6-2)59-53(56)46-42-38-34-30-27-24-21-18-17-20-22-25-28-32-35-39-43-49(3)4/h49-50H,5-48H2,1-4H3/t50-/m0/s1",MUFWAERVUQOVHF,DPDRHGIRSA,N,TG(10:0/i-22:0/18:0),MUFWAERVUQOVHF-DPDRHGIRSA-N
HMDB72835,638.548540103,C39H74O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C39H74O6/c1-6-7-8-17-24-29-37(40)43-32-36(45-39(42)31-26-21-16-15-19-23-28-35(4)5)33-44-38(41)30-25-20-14-12-10-9-11-13-18-22-27-34(2)3/h34-36H,6-33H2,1-5H3/t36-/m0/s1",ZCVBTXPKMIZDNS,BHVANESWSA,N,TG(8:0/i-12:0/i-16:0),ZCVBTXPKMIZDNS-BHVANESWSA-N
HMDB72836,736.658090554,C46H88O6,[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C46H88O6/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-31-35-39-46(49)52-43(40-50-44(47)37-33-29-24-12-10-8-6-2)41-51-45(48)38-34-30-27-26-28-32-36-42(3)4/h42-43H,5-41H2,1-4H3/t43-/m0/s1",OOLGQUOVJVWESE,QLKFWGTOSA,N,TG(10:0/21:0/i-12:0),OOLGQUOVJVWESE-QLKFWGTOSA-N
HMDB72837,778.705040747,C49H94O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C49H94O6/c1-6-7-8-27-34-39-47(50)53-42-46(43-54-48(51)40-35-30-25-21-18-14-16-20-24-29-33-38-45(4)5)55-49(52)41-36-31-26-22-17-13-11-9-10-12-15-19-23-28-32-37-44(2)3/h44-46H,6-43H2,1-5H3/t46-/m0/s1",DLOVBIRILLNTMV,DXQCBLCSSA,N,TG(8:0/i-21:0/i-17:0),DLOVBIRILLNTMV-DXQCBLCSSA-N
HMDB72838,694.61114036,C43H82O6,[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1S/C43H82O6/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-33-36-42(45)48-39-40(38-47-41(44)35-32-29-12-9-6-3)49-43(46)37-34-31-27-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m0/s1",ZYVCKYNTDUMOCT,FAIXQHPJSA,N,TG(8:0/10:0/22:0),ZYVCKYNTDUMOCT-FAIXQHPJSA-N
HMDB72839,372.323959897,C22H44O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)26-20-21(24)19-23/h21,23-24H,2-20H2,1H3/t21-/m1/s1",WWTTXMMZHOBTAM,OAQYLSRUSA,N,MG(19:0/0:0/0:0),WWTTXMMZHOBTAM-OAQYLSRUSA-N
HMDB72840,372.323959897,C22H44O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)26-21(19-23)20-24/h21,23-24H,2-20H2,1H3",OIRRDDRFTGHNGX,UHFFFAOYSA,N,MG(0:0/19:0/0:0),OIRRDDRFTGHNGX-UHFFFAOYSA-N
HMDB72841,288.23005951,C16H32O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C16H32O4/c1-3-14(2)10-8-6-4-5-7-9-11-16(19)20-13-15(18)12-17/h14-15,17-18H,3-13H2,1-2H3/t14?,15-/m1/s1",CLTNIBHYQHNLAB,YSSOQSIOSA,N,MG(a-13:0/0:0/0:0)[rac],CLTNIBHYQHNLAB-YSSOQSIOSA-N
HMDB72842,358.308309832,C21H42O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-18-20(23)17-22/h19-20,22-23H,3-18H2,1-2H3/t20-/m1/s1",ASKIVFGGGGIGKH,HXUWFJFHSA,N,MG(i-18:0/0:0/0:0),ASKIVFGGGGIGKH-HXUWFJFHSA-N
HMDB72843,288.23005951,C16H32O4,[H]C(CO)(CO)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C16H32O4/c1-3-14(2)10-8-6-4-5-7-9-11-16(19)20-15(12-17)13-18/h14-15,17-18H,3-13H2,1-2H3",CNQSVMLPEFUOHJ,UHFFFAOYSA,N,MG(0:0/a-13:0/0:0)[rac],CNQSVMLPEFUOHJ-UHFFFAOYSA-N
HMDB72844,330.277009704,C19H38O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C19H38O4/c1-17(2)13-11-9-7-5-3-4-6-8-10-12-14-19(22)23-16-18(21)15-20/h17-18,20-21H,3-16H2,1-2H3/t18-/m1/s1",UJXZLNLZBUWQKD,GOSISDBHSA,N,MG(i-16:0/0:0/0:0),UJXZLNLZBUWQKD-GOSISDBHSA-N
HMDB72845,288.23005951,C16H32O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCC,"InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)20-14-15(18)13-17/h15,17-18H,2-14H2,1H3/t15-/m1/s1",CLRCAFAXMVNJRH,OAHLLOKOSA,N,MG(13:0/0:0/0:0),CLRCAFAXMVNJRH-OAHLLOKOSA-N
HMDB72846,344.292659768,C20H40O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C20H40O4/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20(23)24-17-19(22)16-21/h18-19,21-22H,3-17H2,1-2H3/t19-/m1/s1",NYBWZWSQGCROAE,LJQANCHMSA,N,MG(i-17:0/0:0/0:0),NYBWZWSQGCROAE-LJQANCHMSA-N
HMDB72847,456.417860283,C28H56O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C28H56O4/c1-3-26(2)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-28(31)32-27(24-29)25-30/h26-27,29-30H,3-25H2,1-2H3",NBJPIWBNCVOCPG,UHFFFAOYSA,N,MG(0:0/a-25:0/0:0)[rac],NBJPIWBNCVOCPG-UHFFFAOYSA-N
HMDB72848,344.292659768,C20H40O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C20H40O4/c1-3-18(2)14-12-10-8-6-4-5-7-9-11-13-15-20(23)24-19(16-21)17-22/h18-19,21-22H,3-17H2,1-2H3",AQSKXIXYJLNBDB,UHFFFAOYSA,N,MG(0:0/a-17:0/0:0)[rac],AQSKXIXYJLNBDB-UHFFFAOYSA-N
HMDB72849,316.261359639,C18H36O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C18H36O4/c1-16(2)12-10-8-6-4-3-5-7-9-11-13-18(21)22-17(14-19)15-20/h16-17,19-20H,3-15H2,1-2H3",HDTLUTGUCYULDT,UHFFFAOYSA,N,MG(0:0/i-15:0/0:0),HDTLUTGUCYULDT-UHFFFAOYSA-N
HMDB72850,414.37091009,C25H50O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C25H50O4/c1-23(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-25(28)29-22-24(27)21-26/h23-24,26-27H,3-22H2,1-2H3/t24-/m1/s1",UXEYBXKDAGUPDR,XMMPIXPASA,N,MG(i-22:0/0:0/0:0),UXEYBXKDAGUPDR-XMMPIXPASA-N
HMDB72851,344.292659768,C20H40O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C20H40O4/c1-3-18(2)14-12-10-8-6-4-5-7-9-11-13-15-20(23)24-17-19(22)16-21/h18-19,21-22H,3-17H2,1-2H3/t18?,19-/m1/s1",SOINBWUVDKDCCA,MUMRKEEXSA,N,MG(a-17:0/0:0/0:0)[rac],SOINBWUVDKDCCA-MUMRKEEXSA-N
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HMDB72853,302.245709575,C17H34O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C17H34O4/c1-15(2)11-9-7-5-3-4-6-8-10-12-17(20)21-16(13-18)14-19/h15-16,18-19H,3-14H2,1-2H3",ISFYNKZIPZNFFO,UHFFFAOYSA,N,MG(0:0/i-14:0/0:0),ISFYNKZIPZNFFO-UHFFFAOYSA-N
HMDB72854,386.339609961,C23H46O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C23H46O4/c1-21(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(26)27-20-22(25)19-24/h21-22,24-25H,3-20H2,1-2H3/t22-/m1/s1",ASGSROHYBOETMM,JOCHJYFZSA,N,MG(i-20:0/0:0/0:0),ASGSROHYBOETMM-JOCHJYFZSA-N
HMDB72855,400.355260026,C24H48O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C24H48O4/c1-3-22(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-24(27)28-21-23(26)20-25/h22-23,25-26H,3-21H2,1-2H3/t22?,23-/m1/s1",YTEYDCRHTOEYAS,OZAIVSQSSA,N,MG(a-21:0/0:0/0:0)[rac],YTEYDCRHTOEYAS-OZAIVSQSSA-N
HMDB72856,344.292659768,C20H40O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h19,21-22H,2-18H2,1H3/t19-/m1/s1",SVUQHVRAGMNPLW,LJQANCHMSA,N,MG(17:0/0:0/0:0),SVUQHVRAGMNPLW-LJQANCHMSA-N
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HMDB72858,274.214409446,C15H30O4,[H]C(CO)(CO)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C15H30O4/c1-13(2)9-7-5-3-4-6-8-10-15(18)19-14(11-16)12-17/h13-14,16-17H,3-12H2,1-2H3",BRNAOJQEJVYSDZ,UHFFFAOYSA,N,MG(0:0/i-12:0/0:0),BRNAOJQEJVYSDZ-UHFFFAOYSA-N
HMDB72859,386.339609961,C23H46O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C23H46O4/c1-21(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(26)27-22(19-24)20-25/h21-22,24-25H,3-20H2,1-2H3",DTNBVZXPKGNLQF,UHFFFAOYSA,N,MG(0:0/i-20:0/0:0),DTNBVZXPKGNLQF-UHFFFAOYSA-N
HMDB72860,274.214409446,C15H30O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C15H30O4/c1-13(2)9-7-5-3-4-6-8-10-15(18)19-12-14(17)11-16/h13-14,16-17H,3-12H2,1-2H3/t14-/m1/s1",WZACGBROLPZZKX,CQSZACIVSA,N,MG(i-12:0/0:0/0:0),WZACGBROLPZZKX-CQSZACIVSA-N
HMDB72861,288.23005951,C16H32O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCCC,"InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)20-15(13-17)14-18/h15,17-18H,2-14H2,1H3",LBBZELQETLWMKT,UHFFFAOYSA,N,MG(0:0/13:0/0:0),LBBZELQETLWMKT-UHFFFAOYSA-N
HMDB72862,316.261359639,C18H36O4,[H]C(CO)(CO)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C18H36O4/c1-3-16(2)12-10-8-6-4-5-7-9-11-13-18(21)22-17(14-19)15-20/h16-17,19-20H,3-15H2,1-2H3",DOMHAKLFUGPQNX,UHFFFAOYSA,N,MG(0:0/a-15:0/0:0)[rac],DOMHAKLFUGPQNX-UHFFFAOYSA-N
HMDB72863,274.214409448,C15H30O4,[H][C@@](O)(CO)COC(=O)CCCCCCCCCCC,"InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1",ARIWANIATODDMH,CQSZACIVSA,N,MG(12:0/0:0/0:0),ARIWANIATODDMH-CQSZACIVSA-N
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HMDB76766,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C76H148O17P2/c1-9-68(7)54-46-38-30-26-27-31-40-48-56-73(78)86-62-71(92-75(80)59-51-43-33-25-21-17-13-15-19-23-29-37-45-53-67(5)6)64-90-94(82,83)88-60-70(77)61-89-95(84,85)91-65-72(63-87-74(79)57-49-41-35-34-39-47-55-69(8)10-2)93-76(81)58-50-42-32-24-20-16-12-11-14-18-22-28-36-44-52-66(3)4/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t68?,69?,70-,71-,72-/m1/s1",DSOHXAGZTRKQEJ,FRCMSDPSSA,N,CL(a-13:0/i-20:0/a-15:0/i-19:0)[rac],DSOHXAGZTRKQEJ-FRCMSDPSSA-N
HMDB76767,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C76H148O17P2/c1-9-69(8)55-47-39-31-25-26-32-40-48-56-73(78)86-62-71(92-75(80)59-51-43-34-24-20-16-12-14-18-22-29-37-45-53-67(4)5)64-90-94(82,83)88-60-70(77)61-89-95(84,85)91-65-72(63-87-74(79)57-49-41-35-27-30-38-46-54-68(6)7)93-76(81)58-50-42-33-23-19-15-11-10-13-17-21-28-36-44-52-66(2)3/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t69?,70-,71-,72-/m1/s1",PQGWSQZXRHUGCS,YCAWCNGLSA,N,CL(i-13:0/i-20:0/a-15:0/i-19:0)[rac],PQGWSQZXRHUGCS-YCAWCNGLSA-N
HMDB76768,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C76H148O17P2/c1-9-69(8)55-47-39-34-35-41-49-57-74(79)87-63-72(93-76(81)58-50-42-32-25-19-15-11-10-13-17-22-28-36-44-52-66(2)3)65-91-95(84,85)89-61-70(77)60-88-94(82,83)90-64-71(62-86-73(78)56-48-40-31-27-21-24-30-38-46-54-68(6)7)92-75(80)59-51-43-33-26-20-16-12-14-18-23-29-37-45-53-67(4)5/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t69?,70-,71-,72-/m1/s1",CVXGTYDWPLQLCN,YCAWCNGLSA,N,CL(a-13:0/i-20:0/i-15:0/i-19:0)[rac],CVXGTYDWPLQLCN-YCAWCNGLSA-N
HMDB76769,1409.034827366,C77H150O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C77H150O17P2/c1-67(2)53-45-37-29-22-17-13-9-11-15-19-25-34-43-51-59-76(81)93-72(63-87-74(79)57-49-41-33-27-21-24-31-39-47-55-69(5)6)65-91-95(83,84)89-61-71(78)62-90-96(85,86)92-66-73(64-88-75(80)58-50-42-36-28-32-40-48-56-70(7)8)94-77(82)60-52-44-35-26-20-16-12-10-14-18-23-30-38-46-54-68(3)4/h67-73,78H,9-66H2,1-8H3,(H,83,84)(H,85,86)/t71-,72-,73-/m1/s1",HCJRNNMLQJGIMN,SQYJZSJHSA,N,CL(i-13:0/i-20:0/i-15:0/i-20:0),HCJRNNMLQJGIMN-SQYJZSJHSA-N
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HMDB78023,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C75H146O17P2/c1-9-65(5)51-43-35-27-21-17-15-13-14-16-18-24-31-41-49-57-74(79)91-70(61-85-72(77)55-47-39-30-23-20-19-22-28-36-44-52-66(6)10-2)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-33-38-46-54-68(8)12-4)92-75(80)58-50-42-32-26-25-29-37-45-53-67(7)11-3/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t65?,66?,67?,68?,69-,70-,71-/m1/s1",GDJUMFCHRAQGGT,AYNNUBTASA,N,CL(a-13:0/a-15:0/a-17:0/a-21:0)[rac],GDJUMFCHRAQGGT-AYNNUBTASA-N
HMDB78024,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C75H146O17P2/c1-9-67(7)53-45-37-29-21-17-13-11-12-14-18-23-32-41-49-57-74(79)91-70(61-85-72(77)55-47-39-31-22-19-15-16-20-27-35-43-51-65(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-26-28-36-44-52-66(5)6)92-75(80)58-50-42-33-25-24-30-38-46-54-68(8)10-2/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t67?,68?,69-,70-,71-/m1/s1",YWVSTCNJXVZKHP,LDCDTRRZSA,N,CL(i-13:0/a-15:0/i-17:0/a-21:0)[rac],YWVSTCNJXVZKHP-LDCDTRRZSA-N
HMDB78025,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-65(2)51-43-35-27-20-15-12-10-9-11-13-17-24-32-41-49-57-74(79)91-70(61-85-72(77)55-47-39-31-23-18-14-16-21-28-36-44-52-66(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-26-30-38-46-54-68(7)8)92-75(80)58-50-42-33-25-19-22-29-37-45-53-67(5)6/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t69-,70-,71-/m1/s1",UHNPYAFSQCARKX,UMRXOVFLSA,N,CL(i-13:0/i-15:0/i-17:0/i-21:0),UHNPYAFSQCARKX-UMRXOVFLSA-N
HMDB78026,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C75H146O17P2/c1-9-66(6)52-44-36-28-22-19-20-23-30-39-47-55-72(77)85-61-70(91-74(79)57-49-41-31-24-18-16-14-12-13-15-17-21-27-35-43-51-65(4)5)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-33-38-46-54-68(8)11-3)92-75(80)58-50-42-32-26-25-29-37-45-53-67(7)10-2/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t66?,67?,68?,69-,70-,71-/m1/s1",MWVQCBJHAWHHQU,HVJLFZIGSA,N,CL(a-13:0/a-15:0/a-17:0/i-21:0)[rac],MWVQCBJHAWHHQU-HVJLFZIGSA-N
HMDB78027,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-9-67(7)53-45-37-29-23-18-19-24-30-39-47-55-72(77)85-61-70(91-74(79)57-49-41-31-25-17-15-13-11-12-14-16-21-27-35-43-51-65(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-33-38-46-54-68(8)10-2)92-75(80)58-50-42-32-26-20-22-28-36-44-52-66(5)6/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t67?,68?,69-,70-,71-/m1/s1",YHQGJQPQBHVYPD,LDCDTRRZSA,N,CL(a-13:0/i-15:0/a-17:0/i-21:0)[rac],YHQGJQPQBHVYPD-LDCDTRRZSA-N
HMDB78028,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-9-68(8)54-46-38-30-22-17-18-23-31-39-47-55-72(77)85-61-70(91-74(79)57-49-41-32-24-16-14-12-10-11-13-15-20-27-35-43-51-65(2)3)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-26-29-37-45-53-67(6)7)92-75(80)58-50-42-33-25-19-21-28-36-44-52-66(4)5/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t68?,69-,70-,71-/m1/s1",JMGQCHGVSXRNAK,VJMMPQDESA,N,CL(i-13:0/i-15:0/a-17:0/i-21:0)[rac],JMGQCHGVSXRNAK-VJMMPQDESA-N
HMDB78029,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C75H146O17P2/c1-9-67(7)53-45-37-29-25-26-32-42-50-58-75(80)92-71(62-86-73(78)56-48-40-34-33-38-46-54-68(8)10-2)64-90-94(83,84)88-60-69(76)59-87-93(81,82)89-63-70(61-85-72(77)55-47-39-30-23-20-16-18-22-28-36-44-52-66(5)6)91-74(79)57-49-41-31-24-19-15-13-11-12-14-17-21-27-35-43-51-65(3)4/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t67?,68?,69-,70-,71-/m1/s1",OFRBNDHLILESMS,LDCDTRRZSA,N,CL(a-13:0/a-15:0/i-17:0/i-21:0)[rac],OFRBNDHLILESMS-LDCDTRRZSA-N
HMDB78030,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C75H146O17P2/c1-9-66(6)52-44-36-28-20-16-14-12-13-15-17-23-32-41-49-57-74(79)91-70(61-85-72(77)55-47-39-31-22-19-18-21-29-37-45-53-67(7)10-2)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-26-27-35-43-51-65(4)5)92-75(80)58-50-42-33-25-24-30-38-46-54-68(8)11-3/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t66?,67?,68?,69-,70-,71-/m1/s1",SVRCRGYGJCWZTD,HVJLFZIGSA,N,CL(i-13:0/a-15:0/a-17:0/a-21:0)[rac],SVRCRGYGJCWZTD-HVJLFZIGSA-N
HMDB78031,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-9-68(8)54-46-38-33-34-40-48-56-73(78)86-62-71(92-75(80)58-50-42-32-26-20-23-29-37-45-53-67(6)7)64-90-94(83,84)88-60-69(76)59-87-93(81,82)89-63-70(61-85-72(77)55-47-39-30-24-19-15-17-22-28-36-44-52-66(4)5)91-74(79)57-49-41-31-25-18-14-12-10-11-13-16-21-27-35-43-51-65(2)3/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t68?,69-,70-,71-/m1/s1",QGBWEKBLBVPIHG,VJMMPQDESA,N,CL(a-13:0/i-15:0/i-17:0/i-21:0)[rac],QGBWEKBLBVPIHG-VJMMPQDESA-N
HMDB78032,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C75H146O17P2/c1-9-66(6)52-44-36-28-22-18-14-12-13-15-19-24-31-41-49-57-74(79)91-70(61-85-72(77)55-47-39-30-23-20-16-17-21-27-35-43-51-65(4)5)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-33-38-46-54-68(8)11-3)92-75(80)58-50-42-32-26-25-29-37-45-53-67(7)10-2/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t66?,67?,68?,69-,70-,71-/m1/s1",CWNCUUCNSXWUQY,HVJLFZIGSA,N,CL(a-13:0/a-15:0/i-17:0/a-21:0)[rac],CWNCUUCNSXWUQY-HVJLFZIGSA-N
HMDB78033,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-9-67(7)53-45-37-29-21-15-13-11-12-14-16-24-32-41-49-57-74(79)91-70(61-85-72(77)55-47-39-31-23-18-17-22-30-38-46-54-68(8)10-2)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-26-28-36-44-52-66(5)6)92-75(80)58-50-42-33-25-19-20-27-35-43-51-65(3)4/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t67?,68?,69-,70-,71-/m1/s1",UYCAYDGILDXFHM,LDCDTRRZSA,N,CL(i-13:0/i-15:0/a-17:0/a-21:0)[rac],UYCAYDGILDXFHM-LDCDTRRZSA-N
HMDB78034,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C75H146O17P2/c1-9-67(7)53-45-37-29-21-18-19-22-31-39-47-55-72(77)85-61-70(91-74(79)57-49-41-32-23-17-15-13-11-12-14-16-20-27-35-43-51-65(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-26-28-36-44-52-66(5)6)92-75(80)58-50-42-33-25-24-30-38-46-54-68(8)10-2/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t67?,68?,69-,70-,71-/m1/s1",ZDJIZAODHMLRGP,LDCDTRRZSA,N,CL(i-13:0/a-15:0/a-17:0/i-21:0)[rac],ZDJIZAODHMLRGP-LDCDTRRZSA-N
HMDB78035,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-9-66(6)52-44-36-28-22-16-14-12-13-15-17-25-31-41-49-57-74(79)91-70(61-85-72(77)55-47-39-30-24-19-18-23-29-37-45-53-67(7)10-2)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-33-38-46-54-68(8)11-3)92-75(80)58-50-42-32-26-20-21-27-35-43-51-65(4)5/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t66?,67?,68?,69-,70-,71-/m1/s1",ZLWAZKNSWZTXRV,HVJLFZIGSA,N,CL(a-13:0/i-15:0/a-17:0/a-21:0)[rac],ZLWAZKNSWZTXRV-HVJLFZIGSA-N
HMDB78036,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C75H146O17P2/c1-9-68(8)54-46-38-30-24-25-33-42-50-58-75(80)92-71(62-86-73(78)56-48-40-34-26-29-37-45-53-67(6)7)64-90-94(83,84)88-60-69(76)59-87-93(81,82)89-63-70(61-85-72(77)55-47-39-31-22-19-15-17-21-28-36-44-52-66(4)5)91-74(79)57-49-41-32-23-18-14-12-10-11-13-16-20-27-35-43-51-65(2)3/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t68?,69-,70-,71-/m1/s1",GGYLEVRSRJNHID,VJMMPQDESA,N,CL(i-13:0/a-15:0/i-17:0/i-21:0)[rac],GGYLEVRSRJNHID-VJMMPQDESA-N
HMDB78037,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-9-68(8)54-46-38-30-22-16-12-10-11-13-17-24-32-41-49-57-74(79)91-70(61-85-72(77)55-47-39-31-23-18-14-15-20-27-35-43-51-65(2)3)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-26-29-37-45-53-67(6)7)92-75(80)58-50-42-33-25-19-21-28-36-44-52-66(4)5/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t68?,69-,70-,71-/m1/s1",OOYPBQCQDAYMAV,VJMMPQDESA,N,CL(i-13:0/i-15:0/i-17:0/a-21:0)[rac],OOYPBQCQDAYMAV-VJMMPQDESA-N
HMDB78038,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-9-67(7)53-45-37-29-23-17-13-11-12-14-18-25-31-41-49-57-74(79)91-70(61-85-72(77)55-47-39-30-24-19-15-16-21-27-35-43-51-65(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-33-38-46-54-68(8)10-2)92-75(80)58-50-42-32-26-20-22-28-36-44-52-66(5)6/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t67?,68?,69-,70-,71-/m1/s1",UTRNKEUDSGEHLW,LDCDTRRZSA,N,CL(a-13:0/i-15:0/i-17:0/a-21:0)[rac],UTRNKEUDSGEHLW-LDCDTRRZSA-N
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HMDB78296,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-64(7)50-42-34-26-22-23-29-39-47-55-72(77)89-68(59-83-70(75)53-45-37-31-30-35-43-51-65(8)10-2)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(88-71(76)54-46-38-28-21-17-19-25-33-41-49-63(5)6)58-82-69(74)52-44-36-27-20-16-14-12-11-13-15-18-24-32-40-48-62(3)4/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t64?,65?,66-,67-,68-/m1/s1",WZZHXPQMDJQWPL,IZFXDSFASA,N,CL(a-13:0/a-15:0/i-20:0/i-15:0)[rac],WZZHXPQMDJQWPL-IZFXDSFASA-N
HMDB78297,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-30-31-37-45-53-70(75)83-59-68(89-72(77)55-47-39-29-23-17-20-26-34-42-50-64(6)7)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(88-71(76)54-46-38-28-22-16-19-25-33-41-49-63(4)5)58-82-69(74)52-44-36-27-21-15-13-11-10-12-14-18-24-32-40-48-62(2)3/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1",PTQNKKBQQMITTJ,CNXFOIRDSA,N,CL(a-13:0/i-15:0/i-20:0/i-15:0)[rac],PTQNKKBQQMITTJ-CNXFOIRDSA-N
HMDB78298,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-63(6)49-41-33-25-20-22-28-38-46-54-71(76)88-67(58-82-69(74)52-44-36-27-19-17-15-13-12-14-16-18-24-32-40-48-62(4)5)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-31-30-35-43-51-65(8)11-3)89-72(77)55-47-39-29-23-21-26-34-42-50-64(7)10-2/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t63?,64?,65?,66-,67-,68-/m1/s1",KMDSJURJLOYGGT,AMVBEYHWSA,N,CL(a-13:0/a-15:0/i-20:0/a-15:0)[rac],KMDSJURJLOYGGT-AMVBEYHWSA-N
HMDB78299,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-27-21-22-30-39-47-55-72(77)89-68(59-83-70(75)53-45-37-31-23-26-34-42-50-64(6)7)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(88-71(76)54-46-38-29-20-16-18-25-33-41-49-63(4)5)58-82-69(74)52-44-36-28-19-15-13-11-10-12-14-17-24-32-40-48-62(2)3/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1",SJFSKFWKGADNJQ,CNXFOIRDSA,N,CL(i-13:0/a-15:0/i-20:0/i-15:0)[rac],SJFSKFWKGADNJQ-CNXFOIRDSA-N
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HMDB78301,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-9-64(7)50-42-34-26-22-23-29-39-47-55-72(77)89-67(58-82-69(74)52-44-36-27-20-16-14-12-11-13-15-18-24-32-40-48-62(3)4)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-31-30-35-43-51-65(8)10-2)88-71(76)54-46-38-28-21-17-19-25-33-41-49-63(5)6/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t64?,65?,66-,67-,68-/m1/s1",PANINOSHRXQASU,IZFXDSFASA,N,CL(a-13:0/i-15:0/i-20:0/a-15:0)[rac],PANINOSHRXQASU-IZFXDSFASA-N
HMDB78302,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-63(2)49-41-33-25-18-13-11-9-10-12-14-21-29-37-45-53-70(75)83-59-68(89-72(77)55-47-39-30-22-16-15-19-26-34-42-50-64(3)4)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-24-28-36-44-52-66(7)8)90-73(78)56-48-40-31-23-17-20-27-35-43-51-65(5)6/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t67-,68-,69-/m1/s1",NMPUAEAGFMFCSX,SHBPMHELSA,N,CL(i-13:0/i-15:0/i-20:0/i-16:0),NMPUAEAGFMFCSX-SHBPMHELSA-N
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HMDB78307,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-64(2)50-42-34-26-19-14-11-9-10-12-16-22-30-38-46-54-71(76)84-60-69(90-73(78)56-48-40-31-23-17-13-15-20-27-35-43-51-65(3)4)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-25-29-37-45-53-67(7)8)91-74(79)57-49-41-32-24-18-21-28-36-44-52-66(5)6/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t68-,69-,70-/m1/s1",JKQVSVUQZUQXNI,CRUFNAILSA,N,CL(i-13:0/i-15:0/i-20:0/i-17:0),JKQVSVUQZUQXNI-CRUFNAILSA-N
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HMDB78727,1282.893976786,C68H132O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C68H132O17P2/c1-58(2)44-36-28-20-15-11-9-10-12-17-23-34-42-50-67(72)85-64(55-79-66(71)49-41-33-27-26-31-39-47-61(7)8)57-83-87(76,77)81-53-62(69)52-80-86(74,75)82-56-63(54-78-65(70)48-40-32-25-19-22-30-38-46-60(5)6)84-68(73)51-43-35-24-18-14-13-16-21-29-37-45-59(3)4/h58-64,69H,9-57H2,1-8H3,(H,74,75)(H,76,77)/t62-,63+,64+/m0/s1",RVSQEWCJJOAEQK,GOJVTBGYSA,N,CL(i-13:0/i-16:0/i-12:0/i-18:0),RVSQEWCJJOAEQK-GOJVTBGYSA-N
HMDB78728,1278.862676658,C68H128O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C68H128O17P2/c1-8-10-11-12-13-14-15-16-17-18-19-23-26-37-44-51-67(72)84-63(55-78-65(70)49-42-35-30-28-33-40-47-60(5)6)57-82-86(74,75)80-53-62(69)54-81-87(76,77)83-58-64(56-79-66(71)50-43-36-31-29-34-41-48-61(7)9-2)85-68(73)52-45-38-27-24-21-20-22-25-32-39-46-59(3)4/h14-17,59-64,69H,8-13,18-58H2,1-7H3,(H,74,75)(H,76,77)/b15-14-,17-16-/t61?,62-,63-,64-/m1/s1",CVHWJWDTSGWSLX,OMLBYEDCSA,N,"CL(a-13:0/i-16:0/i-12:0/18:2(9Z,11Z))[rac]",CVHWJWDTSGWSLX-OMLBYEDCSA-N
HMDB78729,1282.893976786,C68H132O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C68H132O17P2/c1-9-61(8)47-39-31-25-27-33-41-49-66(71)79-55-64(85-68(73)51-43-35-23-19-15-14-17-21-29-37-45-59(4)5)57-83-87(76,77)81-53-62(69)52-80-86(74,75)82-56-63(54-78-65(70)48-40-32-26-24-30-38-46-60(6)7)84-67(72)50-42-34-22-18-13-11-10-12-16-20-28-36-44-58(2)3/h58-64,69H,9-57H2,1-8H3,(H,74,75)(H,76,77)/t61?,62-,63-,64-/m1/s1",VNFQKZODXPPCBT,QFLSEQQCSA,N,CL(a-13:0/i-16:0/i-12:0/i-18:0)[rac],VNFQKZODXPPCBT-QFLSEQQCSA-N
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HMDB78731,1296.909626851,C69H134O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C69H134O17P2/c1-9-62(8)48-40-32-26-28-34-42-50-67(72)80-56-65(86-69(74)52-44-36-24-20-16-15-18-22-30-38-46-60(4)5)58-84-88(77,78)82-54-63(70)53-81-87(75,76)83-57-64(55-79-66(71)49-41-33-27-25-31-39-47-61(6)7)85-68(73)51-43-35-23-19-14-12-10-11-13-17-21-29-37-45-59(2)3/h59-65,70H,9-58H2,1-8H3,(H,75,76)(H,77,78)/t62?,63-,64-,65-/m1/s1",LRZWUHRXBQNSSC,HSOQKSLCSA,N,CL(a-13:0/i-16:0/i-12:0/i-19:0)[rac],LRZWUHRXBQNSSC-HSOQKSLCSA-N
HMDB78732,1310.925276915,C70H136O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C70H136O17P2/c1-60(2)46-38-30-22-17-13-11-9-10-12-14-19-25-36-44-52-69(74)87-66(57-81-68(73)51-43-35-29-28-33-41-49-63(7)8)59-85-89(78,79)83-55-64(71)54-82-88(76,77)84-58-65(56-80-67(72)50-42-34-27-21-24-32-40-48-62(5)6)86-70(75)53-45-37-26-20-16-15-18-23-31-39-47-61(3)4/h60-66,71H,9-59H2,1-8H3,(H,76,77)(H,78,79)/t64-,65+,66+/m0/s1",FAXSERLAENLGAZ,GLCCOQBGSA,N,CL(i-13:0/i-16:0/i-12:0/i-20:0),FAXSERLAENLGAZ-GLCCOQBGSA-N
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HMDB78734,1324.94092698,C71H138O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C71H138O17P2/c1-61(2)47-39-31-23-18-14-12-10-9-11-13-15-20-26-37-45-53-70(75)88-67(58-82-69(74)52-44-36-30-29-34-42-50-64(7)8)60-86-90(79,80)84-56-65(72)55-83-89(77,78)85-59-66(57-81-68(73)51-43-35-28-22-25-33-41-49-63(5)6)87-71(76)54-46-38-27-21-17-16-19-24-32-40-48-62(3)4/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t65-,66+,67+/m0/s1",YIMZXJAYXXXVBG,OHKZLATASA,N,CL(i-13:0/i-16:0/i-12:0/i-21:0),YIMZXJAYXXXVBG-OHKZLATASA-N
HMDB78735,1324.94092698,C71H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C71H138O17P2/c1-9-64(8)50-42-34-28-30-36-44-52-69(74)82-58-67(88-71(76)54-46-38-26-22-18-17-20-24-32-40-48-62(4)5)60-86-90(79,80)84-56-65(72)55-83-89(77,78)85-59-66(57-81-68(73)51-43-35-29-27-33-41-49-63(6)7)87-70(75)53-45-37-25-21-16-14-12-10-11-13-15-19-23-31-39-47-61(2)3/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t64?,65-,66-,67-/m1/s1",QBHYLQWEBJTXPU,OGILQYNYSA,N,CL(a-13:0/i-16:0/i-12:0/i-21:0)[rac],QBHYLQWEBJTXPU-OGILQYNYSA-N
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HMDB79916,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-62(2)48-40-32-24-18-13-10-9-11-15-21-28-38-46-54-71(76)88-67(58-82-69(74)52-44-36-27-23-17-20-26-34-42-50-64(5)6)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-31-30-35-43-51-65(7)8)89-72(77)55-47-39-29-22-16-12-14-19-25-33-41-49-63(3)4/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t66-,67-,68-/m1/s1",GTDOVQWBSBFCBZ,ODOYRBSSSA,N,CL(i-12:0/i-17:0/i-15:0/i-19:0),GTDOVQWBSBFCBZ-ODOYRBSSSA-N
HMDB79917,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-26-22-23-27-36-44-52-69(74)82-58-67(88-71(76)54-46-38-28-20-16-12-10-11-14-18-24-32-40-48-62(2)3)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-31-30-34-42-50-64(6)7)89-72(77)55-47-39-29-21-17-13-15-19-25-33-41-49-63(4)5/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1",QDTTYRBBXCGEJW,CNXFOIRDSA,N,CL(i-12:0/i-17:0/a-15:0/i-19:0)[rac],QDTTYRBBXCGEJW-CNXFOIRDSA-N
HMDB79918,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-64(7)50-42-34-25-19-16-17-21-29-39-47-55-72(77)89-68(59-83-70(75)53-45-37-31-30-33-41-49-63(5)6)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(58-82-69(74)52-44-36-27-23-22-26-35-43-51-65(8)10-2)88-71(76)54-46-38-28-20-15-13-11-12-14-18-24-32-40-48-62(3)4/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t64?,65?,66-,67-,68-/m1/s1",SKDOWGVXPFYGAT,IZFXDSFASA,N,CL(i-12:0/a-17:0/a-15:0/i-19:0)[rac],SKDOWGVXPFYGAT-IZFXDSFASA-N
HMDB79919,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-26-20-15-16-22-29-39-47-55-72(77)89-68(59-83-70(75)53-45-37-31-30-34-42-50-64(6)7)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(58-82-69(74)52-44-36-27-23-17-19-25-33-41-49-63(4)5)88-71(76)54-46-38-28-21-14-12-10-11-13-18-24-32-40-48-62(2)3/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1",XLGKLUHHPUHYGC,CNXFOIRDSA,N,CL(i-12:0/a-17:0/i-15:0/i-19:0)[rac],XLGKLUHHPUHYGC-CNXFOIRDSA-N
HMDB79920,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-63(2)49-41-33-25-19-14-11-9-10-12-16-22-29-39-47-55-72(77)89-68(59-83-70(75)53-45-37-28-24-18-21-27-35-43-51-65(5)6)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-31-36-44-52-66(7)8)90-73(78)56-48-40-30-23-17-13-15-20-26-34-42-50-64(3)4/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t67-,68-,69-/m1/s1",HQDOEZMSISGTIT,SHBPMHELSA,N,CL(i-12:0/i-17:0/i-15:0/i-20:0),HQDOEZMSISGTIT-SHBPMHELSA-N
HMDB79921,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-27-23-24-28-37-45-53-70(75)83-59-68(89-72(77)55-47-39-29-21-17-13-11-10-12-15-19-25-33-41-49-63(2)3)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-31-35-43-51-65(6)7)90-73(78)56-48-40-30-22-18-14-16-20-26-34-42-50-64(4)5/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1",DGFOZCPNQIIDLD,VZZKVGHUSA,N,CL(i-12:0/i-17:0/a-15:0/i-20:0)[rac],DGFOZCPNQIIDLD-VZZKVGHUSA-N
HMDB79922,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-65(7)51-43-35-26-20-17-18-22-30-40-48-56-73(78)90-69(60-84-71(76)54-46-38-32-31-34-42-50-64(5)6)62-88-92(81,82)86-58-67(74)57-85-91(79,80)87-61-68(59-83-70(75)53-45-37-28-24-23-27-36-44-52-66(8)10-2)89-72(77)55-47-39-29-21-16-14-12-11-13-15-19-25-33-41-49-63(3)4/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t65?,66?,67-,68-,69-/m1/s1",ANBOMQKIIFPOPC,CNCDLFKZSA,N,CL(i-12:0/a-17:0/a-15:0/i-20:0)[rac],ANBOMQKIIFPOPC-CNCDLFKZSA-N
HMDB79923,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-27-21-16-17-23-30-40-48-56-73(78)90-69(60-84-71(76)54-46-38-32-31-35-43-51-65(6)7)62-88-92(81,82)86-58-67(74)57-85-91(79,80)87-61-68(59-83-70(75)53-45-37-28-24-18-20-26-34-42-50-64(4)5)89-72(77)55-47-39-29-22-15-13-11-10-12-14-19-25-33-41-49-63(2)3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1",QZHDKXMVYFXHCD,VZZKVGHUSA,N,CL(i-12:0/a-17:0/i-15:0/i-20:0)[rac],QZHDKXMVYFXHCD-VZZKVGHUSA-N
HMDB79924,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C74H144O17P2/c1-9-66(7)52-44-36-27-21-15-13-11-12-14-16-23-30-40-48-56-73(78)90-69(60-84-71(76)54-46-38-29-25-19-20-26-34-42-50-64(3)4)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-32-35-43-51-65(5)6)91-74(79)57-49-41-31-24-18-17-22-28-37-45-53-67(8)10-2/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t66?,67?,68-,69-,70-/m1/s1",AYPVFLHQCUITMW,NDUGWDHISA,N,CL(i-12:0/a-17:0/i-15:0/a-21:0)[rac],AYPVFLHQCUITMW-NDUGWDHISA-N
HMDB79925,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-64(2)50-42-34-26-20-15-12-10-9-11-13-17-23-30-40-48-56-73(78)90-69(60-84-71(76)54-46-38-29-25-19-22-28-36-44-52-66(5)6)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-32-37-45-53-67(7)8)91-74(79)57-49-41-31-24-18-14-16-21-27-35-43-51-65(3)4/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t68-,69-,70-/m1/s1",MPOHIKZPQJSNBY,CRUFNAILSA,N,CL(i-12:0/i-17:0/i-15:0/i-21:0),MPOHIKZPQJSNBY-CRUFNAILSA-N
HMDB79926,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-9-67(8)53-45-37-28-24-25-29-38-46-54-71(76)84-60-69(90-73(78)56-48-40-30-22-18-14-12-10-11-13-16-20-26-34-42-50-64(2)3)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-32-36-44-52-66(6)7)91-74(79)57-49-41-31-23-19-15-17-21-27-35-43-51-65(4)5/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t67?,68-,69-,70-/m1/s1",OVXUGEKSKZDPOM,GUERLEBKSA,N,CL(i-12:0/i-17:0/a-15:0/i-21:0)[rac],OVXUGEKSKZDPOM-GUERLEBKSA-N
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HMDB79928,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-9-66(7)52-44-36-27-21-17-13-11-12-14-18-22-30-40-48-56-73(78)90-69(60-84-71(76)54-46-38-29-25-24-28-37-45-53-67(8)10-2)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-32-35-43-51-65(5)6)91-74(79)57-49-41-31-23-19-15-16-20-26-34-42-50-64(3)4/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t66?,67?,68-,69-,70-/m1/s1",CDUNWQRVNNMUEG,NDUGWDHISA,N,CL(i-12:0/i-17:0/a-15:0/a-21:0)[rac],CDUNWQRVNNMUEG-NDUGWDHISA-N
HMDB79929,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C74H144O17P2/c1-9-66(7)52-44-36-27-21-18-19-23-31-41-49-57-74(79)91-70(61-85-72(77)55-47-39-33-32-35-43-51-65(5)6)63-89-93(82,83)87-59-68(75)58-86-92(80,81)88-62-69(60-84-71(76)54-46-38-29-25-24-28-37-45-53-67(8)10-2)90-73(78)56-48-40-30-22-17-15-13-11-12-14-16-20-26-34-42-50-64(3)4/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t66?,67?,68-,69-,70-/m1/s1",SZZWKMLLHHIWQT,NDUGWDHISA,N,CL(i-12:0/a-17:0/a-15:0/i-21:0)[rac],SZZWKMLLHHIWQT-NDUGWDHISA-N
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HMDB80131,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-62(2)48-40-32-24-18-13-10-9-11-15-21-27-36-44-52-69(74)82-58-67(88-72(77)55-47-39-29-23-17-20-26-34-42-50-64(5)6)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-31-30-35-43-51-65(7)8)89-71(76)54-46-38-28-22-16-12-14-19-25-33-41-49-63(3)4/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t66-,67-,68-/m1/s1",ZTNHDNDSGPELTK,ODOYRBSSSA,N,CL(i-12:0/i-17:0/i-19:0/i-15:0),ZTNHDNDSGPELTK-ODOYRBSSSA-N
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HMDB80423,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-56(2)42-34-26-18-13-11-9-10-12-14-21-32-40-48-65(70)82-62(53-77-64(69)47-39-31-25-24-29-37-45-59(7)8)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(52-76-63(68)46-38-30-23-17-20-28-36-44-58(5)6)83-66(71)49-41-33-22-16-15-19-27-35-43-57(3)4/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t60-,61-,62-/m1/s1",HKTRIIVAKVOWJV,DLAFNDBQSA,N,CL(i-12:0/i-18:0/i-13:0/i-14:0),HKTRIIVAKVOWJV-DLAFNDBQSA-N
HMDB80424,1254.862676658,C66H128O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-23-25-31-39-47-64(69)77-53-62(83-66(71)49-41-33-21-17-16-19-27-35-43-57(4)5)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(52-76-63(68)46-38-30-24-22-28-36-44-58(6)7)82-65(70)48-40-32-20-15-13-11-10-12-14-18-26-34-42-56(2)3/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61+,62+/m0/s1",BQRXCQOIKIHSGA,PWWXFYBZSA,N,CL(i-12:0/i-18:0/a-13:0/i-14:0)[rac],BQRXCQOIKIHSGA-PWWXFYBZSA-N
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HMDB80527,1268.878326722,C67H130O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C67H130O17P2/c1-9-59(7)45-37-29-20-17-18-21-31-39-47-64(69)77-53-63(84-67(72)50-42-34-26-24-30-38-46-60(8)10-2)56-82-86(75,76)80-52-61(68)51-79-85(73,74)81-55-62(54-78-65(70)48-40-32-25-23-28-36-44-58(5)6)83-66(71)49-41-33-22-16-14-12-11-13-15-19-27-35-43-57(3)4/h57-63,68H,9-56H2,1-8H3,(H,73,74)(H,75,76)/t59?,60?,61-,62+,63+/m0/s1",CVHVZSHVVMECHF,AQRWEKIHSA,N,CL(i-12:0/i-18:0/a-15:0/a-13:0)[rac],CVHVZSHVVMECHF-AQRWEKIHSA-N
HMDB80528,1264.847026593,C67H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C67H126O17P2/c1-8-10-11-12-13-14-15-16-17-18-19-22-26-36-43-50-66(71)83-62(55-78-65(70)49-42-35-29-27-32-39-46-59(5)6)56-81-85(73,74)79-52-61(68)53-80-86(75,76)82-57-63(84-67(72)51-44-37-30-28-33-40-47-60(7)9-2)54-77-64(69)48-41-34-25-23-20-21-24-31-38-45-58(3)4/h14-17,58-63,68H,8-13,18-57H2,1-7H3,(H,73,74)(H,75,76)/b15-14-,17-16-/t60?,61-,62+,63+/m0/s1",IQYQVBQMISYZRR,XJPRJUHNSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-15:0/a-13:0)[rac]",IQYQVBQMISYZRR-XJPRJUHNSA-N
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HMDB80531,1282.893976786,C68H132O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C68H132O17P2/c1-58(2)44-36-28-20-14-11-9-10-12-16-24-34-42-50-67(72)84-64(55-79-66(71)49-41-33-27-26-31-39-47-61(7)8)57-83-87(76,77)81-53-62(69)52-80-86(74,75)82-56-63(85-68(73)51-43-35-25-19-18-22-30-38-46-60(5)6)54-78-65(70)48-40-32-23-17-13-15-21-29-37-45-59(3)4/h58-64,69H,9-57H2,1-8H3,(H,74,75)(H,76,77)/t62-,63-,64-/m1/s1",SIXQOIMVXXKZMT,IIVRGTDNSA,N,CL(i-12:0/i-18:0/i-15:0/i-14:0),SIXQOIMVXXKZMT-IIVRGTDNSA-N
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HMDB80714,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-62(2)48-40-32-24-18-13-9-11-15-21-27-36-44-52-69(74)82-58-67(88-72(77)55-47-39-29-23-17-20-26-34-42-50-64(5)6)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-31-30-35-43-51-65(7)8)89-71(76)54-46-38-28-22-16-12-10-14-19-25-33-41-49-63(3)4/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t66-,67-,68-/m1/s1",NKBUJGPCWCWHDO,ODOYRBSSSA,N,CL(i-12:0/i-18:0/i-18:0/i-15:0),NKBUJGPCWCWHDO-ODOYRBSSSA-N
HMDB80715,1334.925276915,C72H136O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C72H136O17P2/c1-8-9-10-11-12-13-14-15-16-17-22-27-32-41-48-55-71(76)89-68(60-83-70(75)54-47-40-35-34-38-45-52-65(6)7)62-87-91(80,81)85-58-66(73)57-84-90(78,79)86-61-67(88-72(77)56-49-42-33-28-23-25-30-37-44-51-64(4)5)59-82-69(74)53-46-39-31-26-21-19-18-20-24-29-36-43-50-63(2)3/h13-16,63-68,73H,8-12,17-62H2,1-7H3,(H,78,79)(H,80,81)/b14-13-,16-15-/t66-,67-,68-/m1/s1",OLNXOJBDBOIHDI,BZYHUVLASA,N,"CL(i-12:0/18:2(9Z,11Z)/i-18:0/i-15:0)",OLNXOJBDBOIHDI-BZYHUVLASA-N
HMDB80716,1330.893976786,C72H132O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C72H132O17P2/c1-7-9-11-13-15-17-19-21-23-25-27-31-35-42-48-54-69(74)82-60-67(88-72(77)57-51-45-37-33-29-30-34-40-46-52-64(3)4)62-86-90(78,79)84-58-66(73)59-85-91(80,81)87-63-68(61-83-70(75)55-49-43-39-38-41-47-53-65(5)6)89-71(76)56-50-44-36-32-28-26-24-22-20-18-16-14-12-10-8-2/h17-24,64-68,73H,7-16,25-63H2,1-6H3,(H,78,79)(H,80,81)/b19-17-,20-18-,23-21-,24-22-/t66-,67-,68-/m1/s1",OEGQTXFXJTVGPZ,MQNNPYKDSA,N,"CL(i-12:0/18:2(9Z,11Z)/18:2(9Z,11Z)/i-15:0)",OEGQTXFXJTVGPZ-MQNNPYKDSA-N
HMDB80717,1334.925276915,C72H136O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C72H136O17P2/c1-8-9-10-11-12-13-14-15-16-17-21-26-31-39-46-53-69(74)82-59-67(88-72(77)56-49-42-33-28-23-25-30-37-44-51-64(4)5)61-86-90(78,79)84-57-66(73)58-85-91(80,81)87-62-68(60-83-70(75)54-47-40-35-34-38-45-52-65(6)7)89-71(76)55-48-41-32-27-22-19-18-20-24-29-36-43-50-63(2)3/h13-16,63-68,73H,8-12,17-62H2,1-7H3,(H,78,79)(H,80,81)/b14-13-,16-15-/t66-,67-,68-/m1/s1",XIJKQDINCRJJFZ,BZYHUVLASA,N,"CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-15:0)",XIJKQDINCRJJFZ-BZYHUVLASA-N
HMDB80718,1334.925276915,C72H136O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C72H136O17P2/c1-8-10-11-12-13-14-15-16-17-18-22-25-31-39-46-53-69(74)82-59-67(89-72(77)56-49-42-33-28-27-30-38-45-52-65(7)9-2)61-86-90(78,79)84-57-66(73)58-85-91(80,81)87-62-68(60-83-70(75)54-47-40-35-34-37-44-51-64(5)6)88-71(76)55-48-41-32-26-23-20-19-21-24-29-36-43-50-63(3)4/h14-17,63-68,73H,8-13,18-62H2,1-7H3,(H,78,79)(H,80,81)/b15-14-,17-16-/t65?,66-,67-,68-/m1/s1",LXIBPZCIWYSANC,HTFREEJLSA,N,"CL(i-12:0/i-18:0/18:2(9Z,11Z)/a-15:0)[rac]",LXIBPZCIWYSANC-HTFREEJLSA-N
HMDB80719,1334.925276915,C72H136O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C72H136O17P2/c1-8-10-11-12-13-14-15-16-17-18-23-26-32-41-48-55-71(76)88-68(60-83-70(75)54-47-40-35-34-37-44-51-64(5)6)62-87-91(80,81)85-58-66(73)57-84-90(78,79)86-61-67(89-72(77)56-49-42-33-28-27-30-38-45-52-65(7)9-2)59-82-69(74)53-46-39-31-25-22-20-19-21-24-29-36-43-50-63(3)4/h14-17,63-68,73H,8-13,18-62H2,1-7H3,(H,78,79)(H,80,81)/b15-14-,17-16-/t65?,66-,67-,68-/m1/s1",GSIYTQSKOUCJSW,HTFREEJLSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-18:0/a-15:0)[rac]",GSIYTQSKOUCJSW-HTFREEJLSA-N
HMDB80720,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-26-22-23-29-39-47-55-72(77)89-67(58-82-69(74)52-44-36-27-20-16-12-10-14-18-24-32-40-48-62(2)3)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-31-30-34-42-50-64(6)7)88-71(76)54-46-38-28-21-17-13-11-15-19-25-33-41-49-63(4)5/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1",WNLYTWIGLOKKBA,CNXFOIRDSA,N,CL(i-12:0/i-18:0/i-18:0/a-15:0)[rac],WNLYTWIGLOKKBA-CNXFOIRDSA-N
HMDB80721,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-63(2)49-41-33-25-19-13-9-11-15-22-28-37-45-53-70(75)83-59-68(89-73(78)56-48-40-30-24-18-17-21-27-35-43-51-65(5)6)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-31-36-44-52-66(7)8)90-72(77)55-47-39-29-23-16-12-10-14-20-26-34-42-50-64(3)4/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t67-,68-,69-/m1/s1",AFGYTAYMSLVOAD,SHBPMHELSA,N,CL(i-12:0/i-18:0/i-18:0/i-16:0),AFGYTAYMSLVOAD-SHBPMHELSA-N
HMDB80722,1348.94092698,C73H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C73H138O17P2/c1-8-9-10-11-12-13-14-15-16-17-22-28-33-42-49-56-72(77)90-69(61-84-71(76)55-48-41-36-35-39-46-53-66(6)7)63-88-92(81,82)86-59-67(74)58-85-91(79,80)87-62-68(89-73(78)57-50-43-34-29-24-23-26-31-38-45-52-65(4)5)60-83-70(75)54-47-40-32-27-21-19-18-20-25-30-37-44-51-64(2)3/h13-16,64-69,74H,8-12,17-63H2,1-7H3,(H,79,80)(H,81,82)/b14-13-,16-15-/t67-,68-,69-/m1/s1",GFOMNIZIKWFOHP,NUVOJPLCSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-18:0/i-16:0)",GFOMNIZIKWFOHP-NUVOJPLCSA-N
HMDB80723,1344.909626851,C73H134O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C73H134O17P2/c1-7-9-11-13-15-17-19-21-23-25-27-32-36-43-49-55-70(75)83-61-68(89-73(78)58-52-46-38-34-30-29-31-35-41-47-53-65(3)4)63-87-91(79,80)85-59-67(74)60-86-92(81,82)88-64-69(62-84-71(76)56-50-44-40-39-42-48-54-66(5)6)90-72(77)57-51-45-37-33-28-26-24-22-20-18-16-14-12-10-8-2/h17-24,65-69,74H,7-16,25-64H2,1-6H3,(H,79,80)(H,81,82)/b19-17-,20-18-,23-21-,24-22-/t67-,68-,69-/m1/s1",ZCLZIYMOLYFOAJ,RUFMQOSHSA,N,"CL(i-12:0/18:2(9Z,11Z)/18:2(9Z,11Z)/i-16:0)",ZCLZIYMOLYFOAJ-RUFMQOSHSA-N
HMDB80724,1348.94092698,C73H138O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C73H138O17P2/c1-8-9-10-11-12-13-14-15-16-17-21-27-32-40-47-54-70(75)83-60-68(89-73(78)57-50-43-34-29-24-23-26-31-38-45-52-65(4)5)62-87-91(79,80)85-58-67(74)59-86-92(81,82)88-63-69(61-84-71(76)55-48-41-36-35-39-46-53-66(6)7)90-72(77)56-49-42-33-28-22-19-18-20-25-30-37-44-51-64(2)3/h13-16,64-69,74H,8-12,17-63H2,1-7H3,(H,79,80)(H,81,82)/b14-13-,16-15-/t67-,68-,69-/m1/s1",GHUFMFRSPYYTQY,NUVOJPLCSA,N,"CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-16:0)",GHUFMFRSPYYTQY-NUVOJPLCSA-N
HMDB80725,1358.925276915,C74H136O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C74H136O17P2/c1-7-10-12-14-16-18-20-22-24-26-28-33-37-44-50-56-71(76)84-62-69(90-74(79)59-53-47-39-35-31-30-32-36-43-49-55-67(6)9-3)64-88-92(80,81)86-60-68(75)61-87-93(82,83)89-65-70(63-85-72(77)57-51-45-41-40-42-48-54-66(4)5)91-73(78)58-52-46-38-34-29-27-25-23-21-19-17-15-13-11-8-2/h18-25,66-70,75H,7-17,26-65H2,1-6H3,(H,80,81)(H,82,83)/b20-18-,21-19-,24-22-,25-23-/t67?,68-,69-,70-/m1/s1",ICZNEPJUPNAXMM,POJFBBPMSA,N,"CL(i-12:0/18:2(9Z,11Z)/18:2(9Z,11Z)/a-17:0)[rac]",ICZNEPJUPNAXMM-POJFBBPMSA-N
HMDB80726,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-64(2)50-42-34-26-20-14-9-11-17-23-29-38-46-54-71(76)84-60-69(90-74(79)57-49-41-31-25-19-13-16-22-28-36-44-52-66(5)6)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-32-37-45-53-67(7)8)91-73(78)56-48-40-30-24-18-12-10-15-21-27-35-43-51-65(3)4/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t68-,69-,70-/m1/s1",IRYXXFCUIZONTN,CRUFNAILSA,N,CL(i-12:0/i-18:0/i-18:0/i-17:0),IRYXXFCUIZONTN-CRUFNAILSA-N
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HMDB80728,1358.925276915,C74H136O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C74H136O17P2/c1-7-9-11-13-15-17-19-21-23-25-29-33-37-44-50-56-71(76)84-62-69(90-74(79)59-53-47-39-35-31-27-28-32-36-42-48-54-66(3)4)64-88-92(80,81)86-60-68(75)61-87-93(82,83)89-65-70(63-85-72(77)57-51-45-41-40-43-49-55-67(5)6)91-73(78)58-52-46-38-34-30-26-24-22-20-18-16-14-12-10-8-2/h17-24,66-70,75H,7-16,25-65H2,1-6H3,(H,80,81)(H,82,83)/b19-17-,20-18-,23-21-,24-22-/t68-,69-,70-/m1/s1",MKBBUXYNKOZWQD,QNTLUPQJSA,N,"CL(i-12:0/18:2(9Z,11Z)/18:2(9Z,11Z)/i-17:0)",MKBBUXYNKOZWQD-QNTLUPQJSA-N
HMDB80729,1362.956577044,C74H140O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C74H140O17P2/c1-8-9-10-11-12-13-14-15-16-17-23-28-33-41-48-55-71(76)84-61-69(90-74(79)58-51-44-35-30-25-20-22-27-32-39-46-53-66(4)5)63-88-92(80,81)86-59-68(75)60-87-93(82,83)89-64-70(62-85-72(77)56-49-42-37-36-40-47-54-67(6)7)91-73(78)57-50-43-34-29-24-19-18-21-26-31-38-45-52-65(2)3/h13-16,65-70,75H,8-12,17-64H2,1-7H3,(H,80,81)(H,82,83)/b14-13-,16-15-/t68-,69-,70-/m1/s1",OYXIIRNEBPGMFZ,MUGHCEGLSA,N,"CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-17:0)",OYXIIRNEBPGMFZ-MUGHCEGLSA-N
HMDB80730,1362.956577044,C74H140O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C74H140O17P2/c1-8-10-11-12-13-14-15-16-17-18-22-28-33-41-48-55-71(76)84-61-69(90-74(79)58-51-44-35-30-25-24-27-32-40-47-54-67(7)9-2)63-88-92(80,81)86-59-68(75)60-87-93(82,83)89-64-70(62-85-72(77)56-49-42-37-36-39-46-53-66(5)6)91-73(78)57-50-43-34-29-23-20-19-21-26-31-38-45-52-65(3)4/h14-17,65-70,75H,8-13,18-64H2,1-7H3,(H,80,81)(H,82,83)/b15-14-,17-16-/t67?,68-,69-,70-/m1/s1",OLTJULGZWQDGJJ,GGQNNOEVSA,N,"CL(i-12:0/i-18:0/18:2(9Z,11Z)/a-17:0)[rac]",OLTJULGZWQDGJJ-GGQNNOEVSA-N
HMDB80731,1362.956577044,C74H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C74H140O17P2/c1-8-10-11-12-13-14-15-16-17-18-23-29-34-43-50-57-73(78)91-70(62-85-72(77)56-49-42-37-36-39-46-53-66(5)6)64-89-93(82,83)87-60-68(75)59-86-92(80,81)88-63-69(90-74(79)58-51-44-35-30-25-24-27-32-40-47-54-67(7)9-2)61-84-71(76)55-48-41-33-28-22-20-19-21-26-31-38-45-52-65(3)4/h14-17,65-70,75H,8-13,18-64H2,1-7H3,(H,80,81)(H,82,83)/b15-14-,17-16-/t67?,68-,69-,70-/m1/s1",VBSZHBPXGFCDNK,GGQNNOEVSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-18:0/a-17:0)[rac]",VBSZHBPXGFCDNK-GGQNNOEVSA-N
HMDB80732,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-9-67(8)53-45-37-28-22-18-19-25-31-41-49-57-74(79)90-69(60-84-71(76)54-46-38-29-23-16-12-10-14-20-26-34-42-50-64(2)3)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-32-36-44-52-66(6)7)91-73(78)56-48-40-30-24-17-13-11-15-21-27-35-43-51-65(4)5/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t67?,68-,69-,70-/m1/s1",PNWDXLWMHAMIQI,GUERLEBKSA,N,CL(i-12:0/i-18:0/i-18:0/a-17:0)[rac],PNWDXLWMHAMIQI-GUERLEBKSA-N
HMDB80733,1376.972227108,C75H142O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C75H142O17P2/c1-8-9-10-11-12-13-14-15-16-17-25-30-35-44-51-58-74(79)91-70(62-85-72(77)56-49-42-34-29-24-20-18-22-27-32-39-46-53-66(2)3)64-89-93(81,82)87-60-69(76)61-88-94(83,84)90-65-71(63-86-73(78)57-50-43-38-37-41-48-55-68(6)7)92-75(80)59-52-45-36-31-26-21-19-23-28-33-40-47-54-67(4)5/h13-16,66-71,76H,8-12,17-65H2,1-7H3,(H,81,82)(H,83,84)/b14-13-,16-15-/t69-,70-,71-/m1/s1",XPFJQGJLIACLPD,VNPXZKFPSA,N,"CL(i-12:0/i-18:0/i-18:0/18:2(9Z,11Z))",XPFJQGJLIACLPD-VNPXZKFPSA-N
HMDB80734,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-65(2)51-43-35-27-21-15-9-12-18-24-30-39-47-55-72(77)85-61-70(91-74(79)57-49-41-31-25-19-13-10-16-22-28-36-44-52-66(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-33-38-46-54-68(7)8)92-75(80)58-50-42-32-26-20-14-11-17-23-29-37-45-53-67(5)6/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t69-,70-,71-/m1/s1",FLPGRCCSWWAYRG,UMRXOVFLSA,N,CL(i-12:0/i-18:0/i-18:0/i-18:0),FLPGRCCSWWAYRG-UMRXOVFLSA-N
HMDB80735,1372.94092698,C75H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C75H138O17P2/c1-7-9-11-13-15-17-19-21-23-25-31-35-39-47-53-59-74(79)91-70(63-85-72(77)57-51-45-38-34-30-28-27-29-33-37-43-49-55-67(3)4)65-89-93(81,82)87-61-69(76)62-88-94(83,84)90-66-71(64-86-73(78)58-52-46-42-41-44-50-56-68(5)6)92-75(80)60-54-48-40-36-32-26-24-22-20-18-16-14-12-10-8-2/h17-24,67-71,76H,7-16,25-66H2,1-6H3,(H,81,82)(H,83,84)/b19-17-,20-18-,23-21-,24-22-/t69-,70-,71-/m1/s1",MCMJLCLZPDMJTI,CFFQITHBSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-18:0/18:2(9Z,11Z))",MCMJLCLZPDMJTI-CFFQITHBSA-N
HMDB80736,1376.972227108,C75H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C75H142O17P2/c1-8-9-10-11-12-13-14-15-16-17-25-30-35-44-51-58-75(80)92-71(63-86-73(78)57-50-43-38-37-41-48-55-68(6)7)65-90-94(83,84)88-61-69(76)60-87-93(81,82)89-64-70(91-74(79)59-52-45-36-31-26-21-19-23-28-33-40-47-54-67(4)5)62-85-72(77)56-49-42-34-29-24-20-18-22-27-32-39-46-53-66(2)3/h13-16,66-71,76H,8-12,17-65H2,1-7H3,(H,81,82)(H,83,84)/b14-13-,16-15-/t69-,70-,71-/m1/s1",APUSOGMFNHIADA,VNPXZKFPSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-18:0/i-18:0)",APUSOGMFNHIADA-VNPXZKFPSA-N
HMDB80737,1372.94092698,C75H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C75H138O17P2/c1-7-9-11-13-15-17-19-21-23-25-30-34-38-45-51-57-72(77)85-63-70(91-74(79)60-54-48-40-36-32-28-27-29-33-37-43-49-55-67(3)4)65-89-93(81,82)87-61-69(76)62-88-94(83,84)90-66-71(64-86-73(78)58-52-46-42-41-44-50-56-68(5)6)92-75(80)59-53-47-39-35-31-26-24-22-20-18-16-14-12-10-8-2/h17-24,67-71,76H,7-16,25-66H2,1-6H3,(H,81,82)(H,83,84)/b19-17-,20-18-,23-21-,24-22-/t69-,70-,71-/m1/s1",AANRAHLATAFJIC,CFFQITHBSA,N,"CL(i-12:0/18:2(9Z,11Z)/18:2(9Z,11Z)/i-18:0)",AANRAHLATAFJIC-CFFQITHBSA-N
HMDB80738,1368.909626851,C75H134O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C75H134O17P2/c1-6-9-12-15-18-21-24-27-30-33-36-39-42-48-53-58-72(77)85-64-70(91-74(79)60-55-50-43-40-37-34-31-28-25-22-19-16-13-10-7-2)66-89-93(81,82)87-62-69(76)63-88-94(83,84)90-67-71(65-86-73(78)59-54-49-46-45-47-52-57-68(4)5)92-75(80)61-56-51-44-41-38-35-32-29-26-23-20-17-14-11-8-3/h21-32,68-71,76H,6-20,33-67H2,1-5H3,(H,81,82)(H,83,84)/b24-21-,25-22-,26-23-,30-27-,31-28-,32-29-/t69-,70-,71-/m1/s1",HOGUEQWBRSWNKS,YZTBCYLOSA,N,"CL(i-12:0/18:2(9Z,11Z)/18:2(9Z,11Z)/18:2(9Z,11Z))",HOGUEQWBRSWNKS-YZTBCYLOSA-N
HMDB80739,1376.972227108,C75H142O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C75H142O17P2/c1-8-9-10-11-12-13-14-15-16-17-24-29-34-42-49-56-72(77)85-62-70(91-74(79)58-51-44-35-30-25-20-18-22-27-32-39-46-53-66(2)3)64-89-93(81,82)87-60-69(76)61-88-94(83,84)90-65-71(63-86-73(78)57-50-43-38-37-41-48-55-68(6)7)92-75(80)59-52-45-36-31-26-21-19-23-28-33-40-47-54-67(4)5/h13-16,66-71,76H,8-12,17-65H2,1-7H3,(H,81,82)(H,83,84)/b14-13-,16-15-/t69-,70-,71-/m1/s1",UZYCOPCGIQUURP,VNPXZKFPSA,N,"CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-18:0)",UZYCOPCGIQUURP-VNPXZKFPSA-N
HMDB80740,1372.94092698,C75H138O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C75H138O17P2/c1-7-9-11-13-15-17-19-21-23-25-30-34-38-45-51-57-72(77)85-63-70(91-74(79)59-53-47-39-35-31-26-24-22-20-18-16-14-12-10-8-2)65-89-93(81,82)87-61-69(76)62-88-94(83,84)90-66-71(64-86-73(78)58-52-46-42-41-44-50-56-68(5)6)92-75(80)60-54-48-40-36-32-28-27-29-33-37-43-49-55-67(3)4/h17-24,67-71,76H,7-16,25-66H2,1-6H3,(H,81,82)(H,83,84)/b19-17-,20-18-,23-21-,24-22-/t69-,70-,71-/m1/s1",WGXAGRSQNFXCPS,CFFQITHBSA,N,"CL(i-12:0/i-18:0/18:2(9Z,11Z)/18:2(9Z,11Z))",WGXAGRSQNFXCPS-CFFQITHBSA-N
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HMDB80821,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C76H148O17P2/c1-9-69(8)55-47-39-30-24-20-21-27-33-43-51-59-76(81)92-71(62-86-73(78)56-48-40-31-25-18-13-11-10-12-16-22-28-36-44-52-66(2)3)64-90-94(82,83)88-60-70(77)61-89-95(84,85)91-65-72(63-87-74(79)57-49-41-35-34-38-46-54-68(6)7)93-75(80)58-50-42-32-26-19-15-14-17-23-29-37-45-53-67(4)5/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t69?,70-,71-,72-/m1/s1",ZRGBTDBNPMGPGZ,YCAWCNGLSA,N,CL(i-12:0/i-18:0/i-20:0/a-17:0)[rac],ZRGBTDBNPMGPGZ-YCAWCNGLSA-N
HMDB80822,1405.003527237,C77H146O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C77H146O17P2/c1-8-9-10-11-12-13-14-15-16-21-27-32-37-46-53-60-76(81)93-72(64-87-74(79)58-51-44-36-31-26-20-18-17-19-24-29-34-41-48-55-68(2)3)66-91-95(83,84)89-62-71(78)63-90-96(85,86)92-67-73(65-88-75(80)59-52-45-40-39-43-50-57-70(6)7)94-77(82)61-54-47-38-33-28-23-22-25-30-35-42-49-56-69(4)5/h13-16,68-73,78H,8-12,17-67H2,1-7H3,(H,83,84)(H,85,86)/b14-13-,16-15-/t71-,72-,73-/m1/s1",IPTUXJFPIKGKIH,UYOGNKDWSA,N,"CL(i-12:0/i-18:0/i-20:0/18:2(9Z,11Z))",IPTUXJFPIKGKIH-UYOGNKDWSA-N
HMDB80823,1409.034827366,C77H150O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C77H150O17P2/c1-67(2)53-45-37-29-23-17-11-9-10-12-20-26-32-41-49-57-74(79)87-63-72(93-76(81)59-51-43-33-27-21-15-13-18-24-30-38-46-54-68(3)4)65-91-95(83,84)89-61-71(78)62-90-96(85,86)92-66-73(64-88-75(80)58-50-42-36-35-40-48-56-70(7)8)94-77(82)60-52-44-34-28-22-16-14-19-25-31-39-47-55-69(5)6/h67-73,78H,9-66H2,1-8H3,(H,83,84)(H,85,86)/t71-,72-,73-/m1/s1",NNTPEQWFOSBJAR,SQYJZSJHSA,N,CL(i-12:0/i-18:0/i-20:0/i-18:0),NNTPEQWFOSBJAR-SQYJZSJHSA-N
HMDB80824,1400.972227108,C77H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C77H142O17P2/c1-7-9-11-13-15-17-19-21-23-29-33-37-41-49-55-61-76(81)93-72(65-87-74(79)59-53-47-40-36-32-28-26-25-27-31-35-39-45-51-57-69(3)4)67-91-95(83,84)89-63-71(78)64-90-96(85,86)92-68-73(66-88-75(80)60-54-48-44-43-46-52-58-70(5)6)94-77(82)62-56-50-42-38-34-30-24-22-20-18-16-14-12-10-8-2/h17-24,69-73,78H,7-16,25-68H2,1-6H3,(H,83,84)(H,85,86)/b19-17-,20-18-,23-21-,24-22-/t71-,72-,73-/m1/s1",IORXNPQKWQQVST,WIXGZSIBSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-20:0/18:2(9Z,11Z))",IORXNPQKWQQVST-WIXGZSIBSA-N
HMDB80825,1405.003527237,C77H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C77H146O17P2/c1-8-9-10-11-12-13-14-15-16-21-27-32-37-46-53-60-77(82)94-73(65-88-75(80)59-52-45-40-39-43-50-57-70(6)7)67-92-96(85,86)90-63-71(78)62-89-95(83,84)91-66-72(93-76(81)61-54-47-38-33-28-23-22-25-30-35-42-49-56-69(4)5)64-87-74(79)58-51-44-36-31-26-20-18-17-19-24-29-34-41-48-55-68(2)3/h13-16,68-73,78H,8-12,17-67H2,1-7H3,(H,83,84)(H,85,86)/b14-13-,16-15-/t71-,72-,73-/m1/s1",OHBHTLQGBFMVHO,UYOGNKDWSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-20:0/i-18:0)",OHBHTLQGBFMVHO-UYOGNKDWSA-N
HMDB80826,1423.05047743,C78H152O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C78H152O17P2/c1-68(2)54-46-38-30-24-18-12-9-10-14-21-27-33-42-50-58-75(80)88-64-73(94-77(82)60-52-44-34-28-22-15-11-13-19-25-31-39-47-55-69(3)4)66-92-96(84,85)90-62-72(79)63-91-97(86,87)93-67-74(65-89-76(81)59-51-43-37-36-41-49-57-71(7)8)95-78(83)61-53-45-35-29-23-17-16-20-26-32-40-48-56-70(5)6/h68-74,79H,9-67H2,1-8H3,(H,84,85)(H,86,87)/t72-,73-,74-/m1/s1",SGVPNMUZBSBAGK,FXCIZWNUSA,N,CL(i-12:0/i-18:0/i-20:0/i-19:0),SGVPNMUZBSBAGK-FXCIZWNUSA-N
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HMDB80828,1437.066127495,C79H154O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C79H154O17P2/c1-69(2)55-47-39-31-25-19-13-9-11-15-22-28-34-43-51-59-76(81)89-65-74(95-78(83)61-53-45-35-29-23-16-12-10-14-20-26-32-40-48-56-70(3)4)67-93-97(85,86)91-63-73(80)64-92-98(87,88)94-68-75(66-90-77(82)60-52-44-38-37-42-50-58-72(7)8)96-79(84)62-54-46-36-30-24-18-17-21-27-33-41-49-57-71(5)6/h69-75,80H,9-68H2,1-8H3,(H,85,86)(H,87,88)/t73-,74-,75-/m1/s1",KBNWQBOFGWFRSY,HLFOQYAOSA,N,CL(i-12:0/i-18:0/i-20:0/i-20:0),KBNWQBOFGWFRSY-HLFOQYAOSA-N
HMDB80829,1433.034827366,C79H150O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C79H150O17P2/c1-8-9-10-11-12-13-14-15-16-24-29-34-39-48-55-63-79(84)96-75(67-90-77(82)61-54-47-42-41-45-52-59-72(6)7)69-94-98(87,88)92-65-73(80)64-91-97(85,86)93-68-74(95-78(83)62-56-49-40-35-30-25-20-18-22-27-32-37-44-51-58-71(4)5)66-89-76(81)60-53-46-38-33-28-23-19-17-21-26-31-36-43-50-57-70(2)3/h13-16,70-75,80H,8-12,17-69H2,1-7H3,(H,85,86)(H,87,88)/b14-13-,16-15-/t73-,74-,75-/m1/s1",WNJNBYHSQWIFHJ,RSVJVUMBSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-20:0/i-20:0)",WNJNBYHSQWIFHJ-RSVJVUMBSA-N
HMDB80830,1451.081777559,C80H156O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C80H156O17P2/c1-70(2)56-48-40-32-26-20-14-10-9-11-17-24-30-36-46-54-62-79(84)96-75(66-90-77(82)60-52-44-35-29-23-16-13-12-15-21-27-33-41-49-57-71(3)4)68-94-98(86,87)92-64-74(81)65-93-99(88,89)95-69-76(67-91-78(83)61-53-45-39-38-43-51-59-73(7)8)97-80(85)63-55-47-37-31-25-19-18-22-28-34-42-50-58-72(5)6/h70-76,81H,9-69H2,1-8H3,(H,86,87)(H,88,89)/t74-,75-,76-/m1/s1",PTKNKIBGYUNBAN,VELVNKBWSA,N,CL(i-12:0/i-18:0/i-20:0/i-21:0),PTKNKIBGYUNBAN-VELVNKBWSA-N
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HMDB80832,1447.05047743,C80H152O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C80H152O17P2/c1-8-10-11-12-13-14-15-16-17-25-30-35-40-49-56-64-80(85)97-76(68-91-78(83)62-55-48-43-42-45-52-59-72(5)6)70-95-99(88,89)93-66-74(81)65-92-98(86,87)94-69-75(67-90-77(82)61-54-47-39-34-29-24-20-18-22-27-32-37-44-51-58-71(3)4)96-79(84)63-57-50-41-36-31-26-21-19-23-28-33-38-46-53-60-73(7)9-2/h14-17,71-76,81H,8-13,18-70H2,1-7H3,(H,86,87)(H,88,89)/b15-14-,17-16-/t73?,74-,75-,76-/m1/s1",AKKONVKHBPKBAM,PEFDDYNCSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-20:0/a-21:0)[rac]",AKKONVKHBPKBAM-PEFDDYNCSA-N
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HMDB80913,1348.94092698,C73H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C73H138O17P2/c1-8-9-10-11-12-13-14-15-18-23-26-29-32-42-49-56-72(77)89-68(61-84-71(76)55-48-41-35-33-38-45-52-65(4)5)62-87-91(79,80)85-58-67(74)59-86-92(81,82)88-63-69(90-73(78)57-50-43-36-34-39-46-53-66(6)7)60-83-70(75)54-47-40-31-28-25-22-20-17-16-19-21-24-27-30-37-44-51-64(2)3/h13-15,18,64-69,74H,8-12,16-17,19-63H2,1-7H3,(H,79,80)(H,81,82)/b14-13-,18-15-/t67-,68+,69+/m0/s1",MMCKTQFZUHIJQT,AZNWKHMGSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/i-12:0)",MMCKTQFZUHIJQT-AZNWKHMGSA-N
HMDB80914,1366.987877173,C74H144O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-64(2)50-42-34-26-21-17-13-11-9-10-12-14-19-23-29-38-46-54-71(76)84-60-69(91-74(79)57-49-41-31-25-28-36-44-52-66(5)6)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-32-37-45-53-67(7)8)90-73(78)56-48-40-30-24-20-16-15-18-22-27-35-43-51-65(3)4/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t68-,69-,70-/m1/s1",BKQVSWNEJXSDBJ,CRUFNAILSA,N,CL(i-12:0/i-18:0/i-22:0/i-13:0),BKQVSWNEJXSDBJ-CRUFNAILSA-N
HMDB80915,1362.956577044,C74H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C74H140O17P2/c1-8-9-10-11-12-13-14-15-18-23-26-29-34-43-50-57-73(78)90-70(62-85-72(77)56-49-42-37-36-40-47-54-67(6)7)64-89-93(82,83)87-60-68(75)59-86-92(80,81)88-63-69(91-74(79)58-51-44-35-30-32-39-46-53-66(4)5)61-84-71(76)55-48-41-33-28-25-22-20-17-16-19-21-24-27-31-38-45-52-65(2)3/h13-15,18,65-70,75H,8-12,16-17,19-64H2,1-7H3,(H,80,81)(H,82,83)/b14-13-,18-15-/t68-,69-,70-/m1/s1",GYMHDJXDEVHJKI,RBBLEAQKSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/i-13:0)",GYMHDJXDEVHJKI-RBBLEAQKSA-N
HMDB80916,1362.956577044,C74H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C74H140O17P2/c1-8-10-11-12-13-14-15-16-19-24-27-30-33-43-50-57-73(78)90-69(62-85-72(77)56-49-42-36-34-39-46-53-66(5)6)63-88-92(80,81)86-59-68(75)60-87-93(82,83)89-64-70(91-74(79)58-51-44-37-35-40-47-54-67(7)9-2)61-84-71(76)55-48-41-32-29-26-23-21-18-17-20-22-25-28-31-38-45-52-65(3)4/h14-16,19,65-70,75H,8-13,17-18,20-64H2,1-7H3,(H,80,81)(H,82,83)/b15-14-,19-16-/t67?,68-,69+,70+/m0/s1",ONNMSDSEVYQPMR,OBTMSXLZSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/a-13:0)[rac]",ONNMSDSEVYQPMR-OBTMSXLZSA-N
HMDB80917,1366.987877173,C74H144O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C74H144O17P2/c1-9-67(8)53-45-37-31-33-41-49-57-74(79)91-70(60-84-71(76)54-46-38-28-24-20-15-13-11-10-12-14-18-22-26-34-42-50-64(2)3)63-89-93(82,83)87-59-68(75)58-86-92(80,81)88-62-69(61-85-72(77)55-47-39-32-30-36-44-52-66(6)7)90-73(78)56-48-40-29-25-21-17-16-19-23-27-35-43-51-65(4)5/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t67?,68-,69+,70+/m0/s1",MQBJZAVRAZQUPB,PTGJPDBBSA,N,CL(i-12:0/i-18:0/i-22:0/a-13:0)[rac],MQBJZAVRAZQUPB-PTGJPDBBSA-N
HMDB80918,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-65(2)51-43-35-27-21-17-13-11-9-10-12-14-19-23-30-39-47-55-72(77)85-61-70(92-75(80)58-50-42-32-26-25-29-37-45-53-67(5)6)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-33-38-46-54-68(7)8)91-74(79)57-49-41-31-24-20-16-15-18-22-28-36-44-52-66(3)4/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t69-,70-,71-/m1/s1",AJVQADFRCWQHTA,UMRXOVFLSA,N,CL(i-12:0/i-18:0/i-22:0/i-14:0),AJVQADFRCWQHTA-UMRXOVFLSA-N
HMDB80919,1376.972227108,C75H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C75H142O17P2/c1-8-9-10-11-12-13-14-15-18-23-26-29-35-44-51-58-74(79)91-71(63-86-73(78)57-50-43-38-37-41-48-55-68(6)7)65-90-94(83,84)88-61-69(76)60-87-93(81,82)89-64-70(92-75(80)59-52-45-36-31-30-33-40-47-54-67(4)5)62-85-72(77)56-49-42-34-28-25-22-20-17-16-19-21-24-27-32-39-46-53-66(2)3/h13-15,18,66-71,76H,8-12,16-17,19-65H2,1-7H3,(H,81,82)(H,83,84)/b14-13-,18-15-/t69-,70-,71-/m1/s1",XIHCDCFCMCFADE,HMDNEVOJSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/i-14:0)",XIHCDCFCMCFADE-HMDNEVOJSA-N
HMDB80920,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C76H148O17P2/c1-66(2)52-44-36-28-22-17-13-11-9-10-12-14-19-25-31-40-48-56-73(78)86-62-71(92-76(81)59-51-43-33-27-21-24-30-38-46-54-68(5)6)64-90-94(82,83)88-60-70(77)61-89-95(84,85)91-65-72(63-87-74(79)57-49-41-35-34-39-47-55-69(7)8)93-75(80)58-50-42-32-26-20-16-15-18-23-29-37-45-53-67(3)4/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t70-,71-,72-/m1/s1",DXWWZSLJWGJDLZ,WMPNXZGESA,N,CL(i-12:0/i-18:0/i-22:0/i-15:0),DXWWZSLJWGJDLZ-WMPNXZGESA-N
HMDB80921,1390.987877173,C76H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C76H144O17P2/c1-8-9-10-11-12-13-14-15-18-23-26-31-36-45-52-59-75(80)93-72(64-87-74(79)58-51-44-39-38-42-49-56-69(6)7)66-91-95(84,85)89-62-70(77)61-88-94(82,83)90-65-71(92-76(81)60-53-46-37-32-27-29-34-41-48-55-68(4)5)63-86-73(78)57-50-43-35-30-25-22-20-17-16-19-21-24-28-33-40-47-54-67(2)3/h13-15,18,67-72,77H,8-12,16-17,19-66H2,1-7H3,(H,82,83)(H,84,85)/b14-13-,18-15-/t70-,71-,72-/m1/s1",LNOZIFJSISODPK,ACSVPEFZSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/i-15:0)",LNOZIFJSISODPK-ACSVPEFZSA-N
HMDB80922,1390.987877173,C76H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C76H144O17P2/c1-8-10-11-12-13-14-15-16-19-24-27-30-36-45-52-59-75(80)92-72(64-87-74(79)58-51-44-39-38-41-48-55-68(5)6)66-91-95(84,85)89-62-70(77)61-88-94(82,83)90-65-71(93-76(81)60-53-46-37-32-31-34-42-49-56-69(7)9-2)63-86-73(78)57-50-43-35-29-26-23-21-18-17-20-22-25-28-33-40-47-54-67(3)4/h14-16,19,67-72,77H,8-13,17-18,20-66H2,1-7H3,(H,82,83)(H,84,85)/b15-14-,19-16-/t69?,70-,71-,72-/m1/s1",IJLIRLQKGYNZTD,WNTKEHMFSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/a-15:0)[rac]",IJLIRLQKGYNZTD-WNTKEHMFSA-N
HMDB80923,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C76H148O17P2/c1-9-69(8)55-47-39-30-26-27-33-43-51-59-76(81)93-71(62-86-73(78)56-48-40-31-24-20-15-13-11-10-12-14-18-22-28-36-44-52-66(2)3)64-90-94(82,83)88-60-70(77)61-89-95(84,85)91-65-72(63-87-74(79)57-49-41-35-34-38-46-54-68(6)7)92-75(80)58-50-42-32-25-21-17-16-19-23-29-37-45-53-67(4)5/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t69?,70-,71-,72-/m1/s1",DFCCURNFXPFKBA,YCAWCNGLSA,N,CL(i-12:0/i-18:0/i-22:0/a-15:0)[rac],DFCCURNFXPFKBA-YCAWCNGLSA-N
HMDB80924,1409.034827366,C77H150O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C77H150O17P2/c1-67(2)53-45-37-29-23-17-13-11-9-10-12-14-19-26-32-41-49-57-74(79)87-63-72(93-77(82)60-52-44-34-28-22-21-25-31-39-47-55-69(5)6)65-91-95(83,84)89-61-71(78)62-90-96(85,86)92-66-73(64-88-75(80)58-50-42-36-35-40-48-56-70(7)8)94-76(81)59-51-43-33-27-20-16-15-18-24-30-38-46-54-68(3)4/h67-73,78H,9-66H2,1-8H3,(H,83,84)(H,85,86)/t71-,72-,73-/m1/s1",ICCQMOIMSQAPNQ,SQYJZSJHSA,N,CL(i-12:0/i-18:0/i-22:0/i-16:0),ICCQMOIMSQAPNQ-SQYJZSJHSA-N
HMDB80925,1405.003527237,C77H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C77H146O17P2/c1-8-9-10-11-12-13-14-15-18-23-26-32-37-46-53-60-76(81)94-73(65-88-75(80)59-52-45-40-39-43-50-57-70(6)7)67-92-96(85,86)90-63-71(78)62-89-95(83,84)91-66-72(93-77(82)61-54-47-38-33-28-27-30-35-42-49-56-69(4)5)64-87-74(79)58-51-44-36-31-25-22-20-17-16-19-21-24-29-34-41-48-55-68(2)3/h13-15,18,68-73,78H,8-12,16-17,19-67H2,1-7H3,(H,83,84)(H,85,86)/b14-13-,18-15-/t71-,72-,73-/m1/s1",WQEMUWOQDUFPCV,VKCNPANQSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/i-16:0)",WQEMUWOQDUFPCV-VKCNPANQSA-N
HMDB80926,1423.05047743,C78H152O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C78H152O17P2/c1-68(2)54-46-38-30-24-18-13-11-9-10-12-14-21-27-33-42-50-58-75(80)88-64-73(94-78(83)61-53-45-35-29-23-17-20-26-32-40-48-56-70(5)6)66-92-96(84,85)90-62-72(79)63-91-97(86,87)93-67-74(65-89-76(81)59-51-43-37-36-41-49-57-71(7)8)95-77(82)60-52-44-34-28-22-16-15-19-25-31-39-47-55-69(3)4/h68-74,79H,9-67H2,1-8H3,(H,84,85)(H,86,87)/t72-,73-,74-/m1/s1",BJPJZJBPNCISFW,FXCIZWNUSA,N,CL(i-12:0/i-18:0/i-22:0/i-17:0),BJPJZJBPNCISFW-FXCIZWNUSA-N
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HMDB80928,1419.019177302,C78H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C78H148O17P2/c1-8-10-11-12-13-14-15-16-19-24-27-33-38-47-54-61-77(82)95-74(66-89-76(81)60-53-46-41-40-43-50-57-70(5)6)68-93-97(86,87)91-64-72(79)63-90-96(84,85)92-67-73(94-78(83)62-55-48-39-34-29-28-31-36-44-51-58-71(7)9-2)65-88-75(80)59-52-45-37-32-26-23-21-18-17-20-22-25-30-35-42-49-56-69(3)4/h14-16,19,69-74,79H,8-13,17-18,20-68H2,1-7H3,(H,84,85)(H,86,87)/b15-14-,19-16-/t71?,72-,73-,74-/m1/s1",MLSZAJSLBYLVJP,RTVNIHNSSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/a-17:0)[rac]",MLSZAJSLBYLVJP-RTVNIHNSSA-N
HMDB80929,1423.05047743,C78H152O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C78H152O17P2/c1-9-71(8)57-49-41-32-26-22-23-29-35-45-53-61-78(83)94-73(64-88-75(80)58-50-42-33-27-20-15-13-11-10-12-14-18-24-30-38-46-54-68(2)3)66-92-96(84,85)90-62-72(79)63-91-97(86,87)93-67-74(65-89-76(81)59-51-43-37-36-40-48-56-70(6)7)95-77(82)60-52-44-34-28-21-17-16-19-25-31-39-47-55-69(4)5/h68-74,79H,9-67H2,1-8H3,(H,84,85)(H,86,87)/t71?,72-,73-,74-/m1/s1",JJLOBQKTYMRMLF,XMCIFKCVSA,N,CL(i-12:0/i-18:0/i-22:0/a-17:0)[rac],JJLOBQKTYMRMLF-XMCIFKCVSA-N
HMDB80930,1433.034827366,C79H150O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C79H150O17P2/c1-8-9-10-11-12-13-14-15-18-23-29-34-39-48-55-62-78(83)95-74(66-89-76(81)60-53-46-38-33-28-22-20-17-16-19-21-26-31-36-43-50-57-70(2)3)68-93-97(85,86)91-64-73(80)65-92-98(87,88)94-69-75(67-90-77(82)61-54-47-42-41-45-52-59-72(6)7)96-79(84)63-56-49-40-35-30-25-24-27-32-37-44-51-58-71(4)5/h13-15,18,70-75,80H,8-12,16-17,19-69H2,1-7H3,(H,85,86)(H,87,88)/b14-13-,18-15-/t73-,74-,75-/m1/s1",KKNZONDQWDVXIG,GJGOAEQASA,N,"CL(i-12:0/i-18:0/i-22:0/18:2(9Z,11Z))",KKNZONDQWDVXIG-GJGOAEQASA-N
HMDB80931,1437.066127495,C79H154O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C79H154O17P2/c1-69(2)55-47-39-31-25-19-13-11-9-10-12-14-22-28-34-43-51-59-76(81)89-65-74(95-78(83)61-53-45-35-29-23-17-15-20-26-32-40-48-56-70(3)4)67-93-97(85,86)91-63-73(80)64-92-98(87,88)94-68-75(66-90-77(82)60-52-44-38-37-42-50-58-72(7)8)96-79(84)62-54-46-36-30-24-18-16-21-27-33-41-49-57-71(5)6/h69-75,80H,9-68H2,1-8H3,(H,85,86)(H,87,88)/t73-,74-,75-/m1/s1",BNZMLGMCDPOSGR,HLFOQYAOSA,N,CL(i-12:0/i-18:0/i-22:0/i-18:0),BNZMLGMCDPOSGR-HLFOQYAOSA-N
HMDB80932,1429.003527237,C79H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C79H146O17P2/c1-7-9-11-13-15-17-19-21-25-31-35-39-43-51-57-63-78(83)95-74(67-89-76(81)61-55-49-42-38-34-30-28-24-23-27-29-33-37-41-47-53-59-71(3)4)69-93-97(85,86)91-65-73(80)66-92-98(87,88)94-70-75(68-90-77(82)62-56-50-46-45-48-54-60-72(5)6)96-79(84)64-58-52-44-40-36-32-26-22-20-18-16-14-12-10-8-2/h17-22,25-26,71-75,80H,7-16,23-24,27-70H2,1-6H3,(H,85,86)(H,87,88)/b19-17-,20-18-,25-21-,26-22-/t73-,74-,75-/m1/s1",JXALUVOVQPIYAF,UFPMQQAFSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/18:2(9Z,11Z))",JXALUVOVQPIYAF-UFPMQQAFSA-N
HMDB80933,1433.034827366,C79H150O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C79H150O17P2/c1-8-9-10-11-12-13-14-15-18-23-29-34-39-48-55-62-79(84)96-75(67-90-77(82)61-54-47-42-41-45-52-59-72(6)7)69-94-98(87,88)92-65-73(80)64-91-97(85,86)93-68-74(95-78(83)63-56-49-40-35-30-25-24-27-32-37-44-51-58-71(4)5)66-89-76(81)60-53-46-38-33-28-22-20-17-16-19-21-26-31-36-43-50-57-70(2)3/h13-15,18,70-75,80H,8-12,16-17,19-69H2,1-7H3,(H,85,86)(H,87,88)/b14-13-,18-15-/t73-,74-,75-/m1/s1",YMUCIQIKOCKASU,GJGOAEQASA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/i-18:0)",YMUCIQIKOCKASU-GJGOAEQASA-N
HMDB80934,1451.081777559,C80H156O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C80H156O17P2/c1-70(2)56-48-40-32-26-20-14-11-9-10-12-16-23-29-35-44-52-60-77(82)90-66-75(96-79(84)62-54-46-36-30-24-17-13-15-21-27-33-41-49-57-71(3)4)68-94-98(86,87)92-64-74(81)65-93-99(88,89)95-69-76(67-91-78(83)61-53-45-39-38-43-51-59-73(7)8)97-80(85)63-55-47-37-31-25-19-18-22-28-34-42-50-58-72(5)6/h70-76,81H,9-69H2,1-8H3,(H,86,87)(H,88,89)/t74-,75-,76-/m1/s1",JIKDNBAJNUNAPG,VELVNKBWSA,N,CL(i-12:0/i-18:0/i-22:0/i-19:0),JIKDNBAJNUNAPG-VELVNKBWSA-N
HMDB80935,1447.05047743,C80H152O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C80H152O17P2/c1-8-9-10-11-12-13-14-15-18-25-30-35-40-49-56-63-80(85)97-76(68-91-78(83)62-55-48-43-42-46-53-60-73(6)7)70-95-99(88,89)93-66-74(81)65-92-98(86,87)94-69-75(96-79(84)64-57-50-41-36-31-26-21-23-28-33-38-45-52-59-72(4)5)67-90-77(82)61-54-47-39-34-29-24-20-17-16-19-22-27-32-37-44-51-58-71(2)3/h13-15,18,71-76,81H,8-12,16-17,19-70H2,1-7H3,(H,86,87)(H,88,89)/b14-13-,18-15-/t74-,75-,76-/m1/s1",LYIBWKIKKNWTNG,ALVOWZSYSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/i-19:0)",LYIBWKIKKNWTNG-ALVOWZSYSA-N
HMDB80936,1465.097427624,C81H158O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C81H158O17P2/c1-71(2)57-49-41-33-27-21-15-11-9-10-12-17-24-30-36-45-53-61-78(83)91-67-76(97-80(85)63-55-47-37-31-25-18-14-13-16-22-28-34-42-50-58-72(3)4)69-95-99(87,88)93-65-75(82)66-94-100(89,90)96-70-77(68-92-79(84)62-54-46-40-39-44-52-60-74(7)8)98-81(86)64-56-48-38-32-26-20-19-23-29-35-43-51-59-73(5)6/h71-77,82H,9-70H2,1-8H3,(H,87,88)(H,89,90)/t75-,76-,77-/m1/s1",SFHGPNFHFMGHAR,IVQDROGGSA,N,CL(i-12:0/i-18:0/i-22:0/i-20:0),SFHGPNFHFMGHAR-IVQDROGGSA-N
HMDB80937,1461.066127495,C81H154O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C81H154O17P2/c1-8-9-10-11-12-13-14-15-18-26-31-36-41-50-57-65-81(86)98-77(69-92-79(84)63-56-49-44-43-47-54-61-74(6)7)71-96-100(89,90)94-67-75(82)66-93-99(87,88)95-70-76(97-80(85)64-58-51-42-37-32-27-22-21-24-29-34-39-46-53-60-73(4)5)68-91-78(83)62-55-48-40-35-30-25-20-17-16-19-23-28-33-38-45-52-59-72(2)3/h13-15,18,72-77,82H,8-12,16-17,19-71H2,1-7H3,(H,87,88)(H,89,90)/b14-13-,18-15-/t75-,76-,77-/m1/s1",QFSUAPULXPWLEF,GGFSYELASA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/i-20:0)",QFSUAPULXPWLEF-GGFSYELASA-N
HMDB80938,1479.113077688,C82H160O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C82H160O17P2/c1-72(2)58-50-42-34-28-22-16-12-9-10-14-18-25-31-37-46-54-62-79(84)92-68-77(98-81(86)64-56-48-38-32-26-19-15-11-13-17-23-29-35-43-51-59-73(3)4)70-96-100(88,89)94-66-76(83)67-95-101(90,91)97-71-78(69-93-80(85)63-55-47-41-40-45-53-61-75(7)8)99-82(87)65-57-49-39-33-27-21-20-24-30-36-44-52-60-74(5)6/h72-78,83H,9-71H2,1-8H3,(H,88,89)(H,90,91)/t76-,77-,78-/m1/s1",PYXWCJZGVKBEHD,MOZBRYCLSA,N,CL(i-12:0/i-18:0/i-22:0/i-21:0),PYXWCJZGVKBEHD-MOZBRYCLSA-N
HMDB80939,1475.081777559,C82H156O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C82H156O17P2/c1-8-9-10-11-12-13-14-15-19-27-32-37-42-51-58-66-82(87)99-78(70-93-80(85)64-57-50-45-44-48-55-62-75(6)7)72-97-101(90,91)95-68-76(83)67-94-100(88,89)96-71-77(98-81(86)65-59-52-43-38-33-28-23-18-21-25-30-35-40-47-54-61-74(4)5)69-92-79(84)63-56-49-41-36-31-26-22-17-16-20-24-29-34-39-46-53-60-73(2)3/h13-15,19,73-78,83H,8-12,16-18,20-72H2,1-7H3,(H,88,89)(H,90,91)/b14-13-,19-15-/t76-,77-,78-/m1/s1",PYXOAOXPBHCSTH,XMHILMLWSA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/i-21:0)",PYXOAOXPBHCSTH-XMHILMLWSA-N
HMDB80940,1475.081777559,C82H156O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C82H156O17P2/c1-8-10-11-12-13-14-15-16-19-27-32-37-42-51-58-66-82(87)99-78(70-93-80(85)64-57-50-45-44-47-54-61-74(5)6)72-97-101(90,91)95-68-76(83)67-94-100(88,89)96-71-77(98-81(86)65-59-52-43-38-33-28-23-22-25-30-35-40-48-55-62-75(7)9-2)69-92-79(84)63-56-49-41-36-31-26-21-18-17-20-24-29-34-39-46-53-60-73(3)4/h14-16,19,73-78,83H,8-13,17-18,20-72H2,1-7H3,(H,88,89)(H,90,91)/b15-14-,19-16-/t75?,76-,77-,78-/m1/s1",NQBPFVCNEJJOQD,UEUONLDASA,N,"CL(i-12:0/18:2(9Z,11Z)/i-22:0/a-21:0)[rac]",NQBPFVCNEJJOQD-UEUONLDASA-N
HMDB80941,1479.113077688,C82H160O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C82H160O17P2/c1-9-75(8)61-53-45-36-30-24-17-14-15-19-26-32-38-48-56-64-81(86)98-77(68-92-79(84)62-54-46-37-31-25-18-13-11-10-12-16-22-28-34-42-50-58-72(2)3)70-96-100(88,89)94-66-76(83)67-95-101(90,91)97-71-78(69-93-80(85)63-55-47-41-40-44-52-60-74(6)7)99-82(87)65-57-49-39-33-27-21-20-23-29-35-43-51-59-73(4)5/h72-78,83H,9-71H2,1-8H3,(H,88,89)(H,90,91)/t75?,76-,77-,78-/m1/s1",ITOAUEQZJNXSOS,FWQQSPMISA,N,CL(i-12:0/i-18:0/i-22:0/a-21:0)[rac],ITOAUEQZJNXSOS-FWQQSPMISA-N
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HMDB81984,1324.94092698,C71H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C71H138O17P2/c1-9-64(8)50-42-34-26-18-13-14-19-27-35-43-51-68(73)81-57-66(88-71(76)54-46-38-29-21-15-17-24-32-40-48-62(4)5)59-85-89(77,78)83-55-65(72)56-84-90(79,80)86-60-67(58-82-69(74)52-44-36-30-22-25-33-41-49-63(6)7)87-70(75)53-45-37-28-20-12-10-11-16-23-31-39-47-61(2)3/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t64?,65-,66-,67-/m1/s1",FXIYVUYADACOMZ,OGILQYNYSA,N,CL(i-13:0/i-17:0/a-17:0/i-15:0)[rac],FXIYVUYADACOMZ-OGILQYNYSA-N
HMDB81985,1324.94092698,C71H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C71H138O17P2/c1-9-63(7)49-41-33-25-19-14-15-21-27-37-45-53-70(75)88-67(58-82-69(74)52-44-36-30-29-34-42-50-64(8)10-2)60-86-90(79,80)84-56-65(72)55-83-89(77,78)85-59-66(87-71(76)54-46-38-28-22-16-18-24-32-40-48-62(5)6)57-81-68(73)51-43-35-26-20-13-11-12-17-23-31-39-47-61(3)4/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t63?,64?,65-,66-,67-/m1/s1",PSHLQLYMFMHXRQ,VKIXXVAZSA,N,CL(a-13:0/a-17:0/i-17:0/i-15:0)[rac],PSHLQLYMFMHXRQ-VKIXXVAZSA-N
HMDB81986,1324.94092698,C71H138O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C71H138O17P2/c1-9-62(6)48-40-32-24-16-12-14-18-27-35-43-51-68(73)81-57-66(88-71(76)54-46-38-29-21-20-26-34-42-50-64(8)11-3)59-85-89(77,78)83-55-65(72)56-84-90(79,80)86-60-67(58-82-69(74)52-44-36-30-22-23-31-39-47-61(4)5)87-70(75)53-45-37-28-19-15-13-17-25-33-41-49-63(7)10-2/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t62?,63?,64?,65-,66-,67-/m1/s1",GCRHDKIINDQFNX,FZGMCTKCSA,N,CL(i-13:0/a-17:0/a-17:0/a-15:0)[rac],GCRHDKIINDQFNX-FZGMCTKCSA-N
HMDB81987,1324.94092698,C71H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C71H138O17P2/c1-9-64(8)50-42-34-29-30-36-44-52-69(74)82-58-67(88-70(75)53-45-37-27-21-15-11-13-18-24-32-40-48-62(4)5)60-86-90(79,80)84-56-65(72)55-83-89(77,78)85-59-66(87-71(76)54-46-38-28-22-16-19-25-33-41-49-63(6)7)57-81-68(73)51-43-35-26-20-14-10-12-17-23-31-39-47-61(2)3/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t64?,65-,66-,67-/m1/s1",JVNIBRLPWABPLS,OGILQYNYSA,N,CL(a-13:0/i-17:0/i-17:0/i-15:0)[rac],JVNIBRLPWABPLS-OGILQYNYSA-N
HMDB81988,1324.94092698,C71H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C71H138O17P2/c1-9-62(6)48-40-32-24-18-15-16-20-27-37-45-53-70(75)87-67(58-82-69(74)52-44-36-30-29-34-42-50-64(8)11-3)60-86-90(79,80)84-56-65(72)55-83-89(77,78)85-59-66(88-71(76)54-46-38-28-22-21-25-33-41-49-63(7)10-2)57-81-68(73)51-43-35-26-19-14-12-13-17-23-31-39-47-61(4)5/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t62?,63?,64?,65-,66-,67-/m1/s1",OPTVAJPLOACUEA,FZGMCTKCSA,N,CL(a-13:0/a-17:0/i-17:0/a-15:0)[rac],OPTVAJPLOACUEA-FZGMCTKCSA-N
HMDB81989,1324.94092698,C71H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C71H138O17P2/c1-9-63(7)49-41-33-25-17-14-15-18-27-35-43-51-68(73)81-57-66(88-71(76)54-46-38-29-21-20-26-34-42-50-64(8)10-2)59-85-89(77,78)83-55-65(72)56-84-90(79,80)86-60-67(58-82-69(74)52-44-36-30-22-24-32-40-48-62(5)6)87-70(75)53-45-37-28-19-13-11-12-16-23-31-39-47-61(3)4/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t63?,64?,65-,66-,67-/m1/s1",BFWADEPMZOLFKD,VKIXXVAZSA,N,CL(i-13:0/i-17:0/a-17:0/a-15:0)[rac],BFWADEPMZOLFKD-VKIXXVAZSA-N
HMDB81990,1324.94092698,C71H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C71H138O17P2/c1-9-63(7)49-41-33-25-17-11-13-19-27-35-43-51-68(73)81-57-66(88-71(76)54-46-38-29-21-15-16-23-31-39-47-61(3)4)59-85-89(77,78)83-55-65(72)56-84-90(79,80)86-60-67(58-82-69(74)52-44-36-30-22-24-32-40-48-62(5)6)87-70(75)53-45-37-28-20-14-12-18-26-34-42-50-64(8)10-2/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t63?,64?,65-,66-,67-/m1/s1",YHTMSFBEBNCSGZ,VKIXXVAZSA,N,CL(i-13:0/a-17:0/a-17:0/i-15:0)[rac],YHTMSFBEBNCSGZ-VKIXXVAZSA-N
HMDB81991,1324.94092698,C71H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C71H138O17P2/c1-9-62(6)48-40-32-24-18-15-16-19-26-35-43-51-68(73)81-57-66(88-71(76)54-46-38-28-22-21-25-33-41-49-63(7)10-2)59-85-89(77,78)83-55-65(72)56-84-90(79,80)86-60-67(58-82-69(74)52-44-36-30-29-34-42-50-64(8)11-3)87-70(75)53-45-37-27-20-14-12-13-17-23-31-39-47-61(4)5/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t62?,63?,64?,65-,66-,67-/m1/s1",CLCXTJQKRSFBKB,FZGMCTKCSA,N,CL(a-13:0/i-17:0/a-17:0/a-15:0)[rac],CLCXTJQKRSFBKB-FZGMCTKCSA-N
HMDB81992,1324.94092698,C71H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C71H138O17P2/c1-9-64(8)50-42-34-26-18-13-14-20-28-37-45-53-70(75)87-67(58-82-69(74)52-44-36-30-22-25-33-41-49-63(6)7)60-86-90(79,80)84-56-65(72)55-83-89(77,78)85-59-66(88-71(76)54-46-38-29-21-15-17-24-32-40-48-62(4)5)57-81-68(73)51-43-35-27-19-12-10-11-16-23-31-39-47-61(2)3/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t64?,65-,66-,67-/m1/s1",HEMIQGUTNMMYFI,OGILQYNYSA,N,CL(i-13:0/a-17:0/i-17:0/i-15:0)[rac],HEMIQGUTNMMYFI-OGILQYNYSA-N
HMDB81993,1324.94092698,C71H138O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C71H138O17P2/c1-9-64(8)50-42-34-26-20-21-29-38-46-54-71(76)88-66(57-81-68(73)51-43-35-27-18-14-10-12-16-23-31-39-47-61(2)3)59-85-89(77,78)83-55-65(72)56-84-90(79,80)86-60-67(58-82-69(74)52-44-36-30-22-25-33-41-49-63(6)7)87-70(75)53-45-37-28-19-15-11-13-17-24-32-40-48-62(4)5/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t64?,65-,66-,67-/m1/s1",LLPCPRZZEZZQNC,OGILQYNYSA,N,CL(i-13:0/i-17:0/i-17:0/a-15:0)[rac],LLPCPRZZEZZQNC-OGILQYNYSA-N
HMDB81994,1324.94092698,C71H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C71H138O17P2/c1-9-63(7)49-41-33-25-21-22-28-38-46-54-71(76)88-66(57-81-68(73)51-43-35-26-19-15-11-13-17-23-31-39-47-61(3)4)59-85-89(77,78)83-55-65(72)56-84-90(79,80)86-60-67(58-82-69(74)52-44-36-30-29-34-42-50-64(8)10-2)87-70(75)53-45-37-27-20-16-12-14-18-24-32-40-48-62(5)6/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t63?,64?,65-,66-,67-/m1/s1",XKJSJKGCXMXUNI,VKIXXVAZSA,N,CL(a-13:0/i-17:0/i-17:0/a-15:0)[rac],XKJSJKGCXMXUNI-VKIXXVAZSA-N
HMDB81995,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-62(2)48-40-32-24-17-11-9-13-20-28-36-44-52-69(74)82-58-67(88-72(77)55-47-39-30-22-16-15-19-26-34-42-50-64(5)6)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-31-23-27-35-43-51-65(7)8)89-71(76)54-46-38-29-21-14-10-12-18-25-33-41-49-63(3)4/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t66-,67-,68-/m1/s1",REJUYUDQYXMUMU,ODOYRBSSSA,N,CL(i-13:0/i-17:0/i-17:0/i-16:0),REJUYUDQYXMUMU-ODOYRBSSSA-N
HMDB81996,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-63(6)49-41-33-25-19-13-16-21-27-36-44-52-69(74)82-58-67(88-71(76)54-46-38-28-22-15-12-18-24-32-40-48-62(4)5)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-31-30-35-43-51-65(8)11-3)89-72(77)55-47-39-29-23-17-14-20-26-34-42-50-64(7)10-2/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t63?,64?,65?,66-,67-,68-/m1/s1",UHVKSNCHISNYJQ,AMVBEYHWSA,N,CL(a-13:0/a-17:0/a-17:0/i-16:0)[rac],UHVKSNCHISNYJQ-AMVBEYHWSA-N
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HMDB81998,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-27-19-14-16-20-28-36-44-52-69(74)82-58-67(88-72(77)55-47-39-30-22-15-13-18-25-33-41-49-63(4)5)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-31-23-26-34-42-50-64(6)7)89-71(76)54-46-38-29-21-12-10-11-17-24-32-40-48-62(2)3/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1",JHYNXEFQDSCKAU,CNXFOIRDSA,N,CL(i-13:0/i-17:0/a-17:0/i-16:0)[rac],JHYNXEFQDSCKAU-CNXFOIRDSA-N
HMDB81999,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-64(7)50-42-34-26-20-15-17-23-29-39-47-55-72(77)89-68(59-83-70(75)53-45-37-31-30-35-43-51-65(8)10-2)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(88-71(76)54-46-38-28-22-16-14-19-25-33-41-49-63(5)6)58-82-69(74)52-44-36-27-21-13-11-12-18-24-32-40-48-62(3)4/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t64?,65?,66-,67-,68-/m1/s1",GQNIPRCTCHIIMP,IZFXDSFASA,N,CL(a-13:0/a-17:0/i-17:0/i-16:0)[rac],GQNIPRCTCHIIMP-IZFXDSFASA-N
HMDB82000,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-30-31-37-45-53-70(75)83-59-68(89-71(76)54-46-38-28-22-15-11-13-19-25-33-41-49-63(4)5)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(88-72(77)55-47-39-29-23-17-16-20-26-34-42-50-64(6)7)58-82-69(74)52-44-36-27-21-14-10-12-18-24-32-40-48-62(2)3/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1",OASLVSXKUSHZLY,CNXFOIRDSA,N,CL(a-13:0/i-17:0/i-17:0/i-16:0)[rac],OASLVSXKUSHZLY-CNXFOIRDSA-N
HMDB82001,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-64(7)50-42-34-26-18-12-15-20-28-36-44-52-69(74)82-58-67(88-71(76)54-46-38-29-21-14-11-17-24-32-40-48-62(3)4)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-31-23-25-33-41-49-63(5)6)89-72(77)55-47-39-30-22-16-13-19-27-35-43-51-65(8)10-2/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t64?,65?,66-,67-,68-/m1/s1",WWEAQYMXKDPPFA,IZFXDSFASA,N,CL(i-13:0/a-17:0/a-17:0/i-16:0)[rac],WWEAQYMXKDPPFA-IZFXDSFASA-N
HMDB82002,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-27-19-14-16-22-30-39-47-55-72(77)89-68(59-83-70(75)53-45-37-31-23-26-34-42-50-64(6)7)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(88-71(76)54-46-38-29-21-15-13-18-25-33-41-49-63(4)5)58-82-69(74)52-44-36-28-20-12-10-11-17-24-32-40-48-62(2)3/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1",MXHSXMCVMLSPBH,CNXFOIRDSA,N,CL(i-13:0/a-17:0/i-17:0/i-16:0)[rac],MXHSXMCVMLSPBH-CNXFOIRDSA-N
HMDB82003,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-63(5)49-41-33-25-19-13-16-22-28-37-45-53-70(75)83-59-68(89-72(77)55-47-39-29-23-17-14-20-26-34-42-50-64(6)10-2)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-31-36-44-52-66(8)12-4)90-73(78)56-48-40-30-24-18-15-21-27-35-43-51-65(7)11-3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t63?,64?,65?,66?,67-,68-,69-/m1/s1",KNXWFKHXFWUZQI,CJHRGUIVSA,N,CL(a-13:0/a-17:0/a-17:0/a-17:0)[rac],KNXWFKHXFWUZQI-CJHRGUIVSA-N
HMDB82004,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-65(7)51-43-35-27-19-14-16-22-30-39-47-55-72(77)89-68(59-83-70(75)53-45-37-29-21-13-11-12-18-25-33-41-49-63(3)4)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-24-26-34-42-50-64(5)6)90-73(78)56-48-40-31-23-17-15-20-28-36-44-52-66(8)10-2/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t65?,66?,67-,68-,69-/m1/s1",JOTHFNBHPDODRH,CNCDLFKZSA,N,CL(i-13:0/a-17:0/i-17:0/a-17:0)[rac],JOTHFNBHPDODRH-CNCDLFKZSA-N
HMDB82005,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-63(2)49-41-33-25-18-12-9-15-21-29-37-45-53-70(75)83-59-68(89-72(77)55-47-39-30-22-16-10-13-19-26-34-42-50-64(3)4)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-24-28-36-44-52-66(7)8)90-73(78)56-48-40-31-23-17-11-14-20-27-35-43-51-65(5)6/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t67-,68-,69-/m1/s1",DRWOLGYJDISHKG,SHBPMHELSA,N,CL(i-13:0/i-17:0/i-17:0/i-17:0),DRWOLGYJDISHKG-SHBPMHELSA-N
HMDB82006,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-64(6)50-42-34-26-20-15-17-22-28-37-45-53-70(75)83-59-68(89-72(77)55-47-39-29-23-14-12-13-19-25-33-41-49-63(4)5)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-31-36-44-52-66(8)11-3)90-73(78)56-48-40-30-24-18-16-21-27-35-43-51-65(7)10-2/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t64?,65?,66?,67-,68-,69-/m1/s1",AEPVMENZKABCNO,ZXKPLVHKSA,N,CL(a-13:0/a-17:0/a-17:0/i-17:0)[rac],AEPVMENZKABCNO-ZXKPLVHKSA-N
HMDB82007,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-9-65(7)51-43-35-27-21-17-18-22-28-37-45-53-70(75)83-59-68(89-72(77)55-47-39-29-23-15-11-13-19-25-33-41-49-63(3)4)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-31-36-44-52-66(8)10-2)90-73(78)56-48-40-30-24-16-12-14-20-26-34-42-50-64(5)6/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t65?,66?,67-,68-,69-/m1/s1",ZBYLJNKDSAVZCT,CNCDLFKZSA,N,CL(a-13:0/i-17:0/a-17:0/i-17:0)[rac],ZBYLJNKDSAVZCT-CNCDLFKZSA-N
HMDB82008,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-28-20-16-17-21-29-37-45-53-70(75)83-59-68(89-72(77)55-47-39-30-22-14-10-12-18-25-33-41-49-63(2)3)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-24-27-35-43-51-65(6)7)90-73(78)56-48-40-31-23-15-11-13-19-26-34-42-50-64(4)5/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1",MXBJBFRTMNQOGL,VZZKVGHUSA,N,CL(i-13:0/i-17:0/a-17:0/i-17:0)[rac],MXBJBFRTMNQOGL-VZZKVGHUSA-N
HMDB82009,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-65(7)51-43-35-27-21-17-18-24-30-40-48-56-73(78)90-69(60-84-71(76)54-46-38-32-31-36-44-52-66(8)10-2)62-88-92(81,82)86-58-67(74)57-85-91(79,80)87-61-68(89-72(77)55-47-39-29-23-16-12-14-20-26-34-42-50-64(5)6)59-83-70(75)53-45-37-28-22-15-11-13-19-25-33-41-49-63(3)4/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t65?,66?,67-,68-,69-/m1/s1",GDAPQSMGIRUYKW,CNCDLFKZSA,N,CL(a-13:0/a-17:0/i-17:0/i-17:0)[rac],GDAPQSMGIRUYKW-CNCDLFKZSA-N
HMDB82010,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-64(6)50-42-34-26-18-12-15-21-29-37-45-53-70(75)83-59-68(89-72(77)55-47-39-30-22-16-13-19-27-35-43-51-65(7)10-2)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-24-25-33-41-49-63(4)5)90-73(78)56-48-40-31-23-17-14-20-28-36-44-52-66(8)11-3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t64?,65?,66?,67-,68-,69-/m1/s1",GIYDOHJYGZCPII,ZXKPLVHKSA,N,CL(i-13:0/a-17:0/a-17:0/a-17:0)[rac],GIYDOHJYGZCPII-ZXKPLVHKSA-N
HMDB82011,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-31-32-38-46-54-71(76)84-60-69(90-73(78)56-48-40-30-24-18-12-15-21-27-35-43-51-65(6)7)62-88-92(81,82)86-58-67(74)57-85-91(79,80)87-61-68(89-72(77)55-47-39-29-23-17-11-14-20-26-34-42-50-64(4)5)59-83-70(75)53-45-37-28-22-16-10-13-19-25-33-41-49-63(2)3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1",WVWAJJIWUBUENV,VZZKVGHUSA,N,CL(a-13:0/i-17:0/i-17:0/i-17:0)[rac],WVWAJJIWUBUENV-VZZKVGHUSA-N
HMDB82012,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-64(6)50-42-34-26-20-15-17-23-29-39-47-55-72(77)89-68(59-83-70(75)53-45-37-28-22-14-12-13-19-25-33-41-49-63(4)5)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-31-36-44-52-66(8)11-3)90-73(78)56-48-40-30-24-18-16-21-27-35-43-51-65(7)10-2/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t64?,65?,66?,67-,68-,69-/m1/s1",OHTFPLSEURHDRK,ZXKPLVHKSA,N,CL(a-13:0/a-17:0/i-17:0/a-17:0)[rac],OHTFPLSEURHDRK-ZXKPLVHKSA-N
HMDB82013,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-9-65(7)51-43-35-27-19-14-16-21-29-37-45-53-70(75)83-59-68(89-73(78)56-48-40-31-23-17-15-20-28-36-44-52-66(8)10-2)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-24-26-34-42-50-64(5)6)90-72(77)55-47-39-30-22-13-11-12-18-25-33-41-49-63(3)4/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t65?,66?,67-,68-,69-/m1/s1",NJHQFPWQINJDHM,CNCDLFKZSA,N,CL(i-13:0/i-17:0/a-17:0/a-17:0)[rac],NJHQFPWQINJDHM-CNCDLFKZSA-N
HMDB82014,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-65(7)51-43-35-27-19-14-16-21-29-37-45-53-70(75)83-59-68(89-72(77)55-47-39-30-22-13-11-12-18-25-33-41-49-63(3)4)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-24-26-34-42-50-64(5)6)90-73(78)56-48-40-31-23-17-15-20-28-36-44-52-66(8)10-2/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t65?,66?,67-,68-,69-/m1/s1",RWKNRCGBZONCLH,CNCDLFKZSA,N,CL(i-13:0/a-17:0/a-17:0/i-17:0)[rac],RWKNRCGBZONCLH-CNCDLFKZSA-N
HMDB82015,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-9-64(6)50-42-34-26-20-15-17-22-28-37-45-53-70(75)83-59-68(89-73(78)56-48-40-30-24-18-16-21-27-35-43-51-65(7)10-2)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-31-36-44-52-66(8)11-3)90-72(77)55-47-39-29-23-14-12-13-19-25-33-41-49-63(4)5/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t64?,65?,66?,67-,68-,69-/m1/s1",XIJDMHXFPVJLPN,ZXKPLVHKSA,N,CL(a-13:0/i-17:0/a-17:0/a-17:0)[rac],XIJDMHXFPVJLPN-ZXKPLVHKSA-N
HMDB82016,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-28-20-16-17-23-31-40-48-56-73(78)90-69(60-84-71(76)54-46-38-32-24-27-35-43-51-65(6)7)62-88-92(81,82)86-58-67(74)57-85-91(79,80)87-61-68(89-72(77)55-47-39-30-22-15-11-13-19-26-34-42-50-64(4)5)59-83-70(75)53-45-37-29-21-14-10-12-18-25-33-41-49-63(2)3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1",IBEFPVRTUOBSKV,VZZKVGHUSA,N,CL(i-13:0/a-17:0/i-17:0/i-17:0)[rac],IBEFPVRTUOBSKV-VZZKVGHUSA-N
HMDB82017,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-28-20-16-17-23-31-40-48-56-73(78)89-68(59-83-70(75)53-45-37-29-21-14-10-12-18-25-33-41-49-63(2)3)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-24-27-35-43-51-65(6)7)90-72(77)55-47-39-30-22-15-11-13-19-26-34-42-50-64(4)5/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1",GVXMHIPECSUIHP,VZZKVGHUSA,N,CL(i-13:0/i-17:0/i-17:0/a-17:0)[rac],GVXMHIPECSUIHP-VZZKVGHUSA-N
HMDB82018,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-9-65(7)51-43-35-27-21-17-18-24-30-40-48-56-73(78)89-68(59-83-70(75)53-45-37-28-22-15-11-13-19-25-33-41-49-63(3)4)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-31-36-44-52-66(8)10-2)90-72(77)55-47-39-29-23-16-12-14-20-26-34-42-50-64(5)6/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t65?,66?,67-,68-,69-/m1/s1",MIDGNCNJDWWCNF,CNCDLFKZSA,N,CL(a-13:0/i-17:0/i-17:0/a-17:0)[rac],MIDGNCNJDWWCNF-CNCDLFKZSA-N
HMDB82019,1362.956577044,C74H140O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C74H140O17P2/c1-8-9-10-11-12-13-14-15-16-17-22-28-35-43-50-57-73(78)90-69(61-84-71(76)55-48-41-34-27-23-18-20-25-31-38-45-52-65(2)3)63-88-92(80,81)86-59-68(75)60-87-93(82,83)89-64-70(62-85-72(77)56-49-42-37-30-33-40-47-54-67(6)7)91-74(79)58-51-44-36-29-24-19-21-26-32-39-46-53-66(4)5/h13-16,65-70,75H,8-12,17-64H2,1-7H3,(H,80,81)(H,82,83)/b14-13-,16-15-/t68-,69-,70-/m1/s1",LTNVAHVPLFFSHA,MUGHCEGLSA,N,"CL(i-13:0/i-17:0/i-17:0/18:2(9Z,11Z))",LTNVAHVPLFFSHA-MUGHCEGLSA-N
HMDB82020,1362.956577044,C74H140O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C74H140O17P2/c1-8-12-13-14-15-16-17-18-19-20-21-29-34-43-50-57-73(78)90-69(61-84-71(76)55-48-41-33-28-24-22-26-31-38-45-52-65(5)9-2)63-88-92(80,81)86-59-68(75)60-87-93(82,83)89-64-70(62-85-72(77)56-49-42-37-36-40-47-54-67(7)11-4)91-74(79)58-51-44-35-30-25-23-27-32-39-46-53-66(6)10-3/h16-19,65-70,75H,8-15,20-64H2,1-7H3,(H,80,81)(H,82,83)/b17-16-,19-18-/t65?,66?,67?,68-,69-,70-/m1/s1",CARWHTLKYNSTOS,GMHKILPMSA,N,"CL(a-13:0/a-17:0/a-17:0/18:2(9Z,11Z))[rac]",CARWHTLKYNSTOS-GMHKILPMSA-N
HMDB82021,1362.956577044,C74H140O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C74H140O17P2/c1-8-10-11-12-13-14-15-16-17-18-21-28-35-43-50-57-73(78)90-69(61-84-71(76)55-48-41-34-27-22-19-20-25-31-38-45-52-65(3)4)63-88-92(80,81)86-59-68(75)60-87-93(82,83)89-64-70(62-85-72(77)56-49-42-37-30-32-39-46-53-66(5)6)91-74(79)58-51-44-36-29-24-23-26-33-40-47-54-67(7)9-2/h14-17,65-70,75H,8-13,18-64H2,1-7H3,(H,80,81)(H,82,83)/b15-14-,17-16-/t67?,68-,69-,70-/m1/s1",HLCOMXBUHIZMQT,GGQNNOEVSA,N,"CL(i-13:0/a-17:0/i-17:0/18:2(9Z,11Z))[rac]",HLCOMXBUHIZMQT-GGQNNOEVSA-N
HMDB82022,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-64(2)50-42-34-26-19-13-9-10-16-23-31-40-48-56-73(78)90-69(60-84-71(76)54-46-38-30-22-17-11-14-20-27-35-43-51-65(3)4)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-25-29-37-45-53-67(7)8)91-74(79)57-49-41-32-24-18-12-15-21-28-36-44-52-66(5)6/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t68-,69-,70-/m1/s1",ZOQBFNOBRKXLLS,CRUFNAILSA,N,CL(i-13:0/i-17:0/i-17:0/i-18:0),ZOQBFNOBRKXLLS-CRUFNAILSA-N
HMDB82023,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C74H144O17P2/c1-9-65(6)51-43-35-27-21-16-18-23-29-38-46-54-71(76)84-60-69(90-73(78)56-48-40-30-24-15-13-12-14-20-26-34-42-50-64(4)5)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-32-37-45-53-67(8)11-3)91-74(79)57-49-41-31-25-19-17-22-28-36-44-52-66(7)10-2/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t65?,66?,67?,68-,69-,70-/m1/s1",RCJKKBIPFOWVRL,DIHVZKTASA,N,CL(a-13:0/a-17:0/a-17:0/i-18:0)[rac],RCJKKBIPFOWVRL-DIHVZKTASA-N
HMDB82024,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-9-66(7)52-44-36-28-22-18-19-23-29-38-46-54-71(76)84-60-69(90-73(78)56-48-40-30-24-16-12-11-14-20-26-34-42-50-64(3)4)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-32-37-45-53-67(8)10-2)91-74(79)57-49-41-31-25-17-13-15-21-27-35-43-51-65(5)6/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t66?,67?,68-,69-,70-/m1/s1",DDOIHWQTEANWSB,NDUGWDHISA,N,CL(a-13:0/i-17:0/a-17:0/i-18:0)[rac],DDOIHWQTEANWSB-NDUGWDHISA-N
HMDB82025,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-9-67(8)53-45-37-29-21-17-18-22-30-38-46-54-71(76)84-60-69(90-73(78)56-48-40-31-23-15-11-10-13-19-26-34-42-50-64(2)3)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-25-28-36-44-52-66(6)7)91-74(79)57-49-41-32-24-16-12-14-20-27-35-43-51-65(4)5/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t67?,68-,69-,70-/m1/s1",OPFXQQAZPOYTOG,GUERLEBKSA,N,CL(i-13:0/i-17:0/a-17:0/i-18:0)[rac],OPFXQQAZPOYTOG-GUERLEBKSA-N
HMDB82026,1362.956577044,C74H140O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C74H140O17P2/c1-8-10-11-12-13-14-15-16-17-18-23-29-34-43-50-57-73(78)90-69(61-84-71(76)55-48-41-33-28-24-19-21-26-31-38-45-52-65(3)4)63-88-92(80,81)86-59-68(75)60-87-93(82,83)89-64-70(62-85-72(77)56-49-42-37-36-40-47-54-67(7)9-2)91-74(79)58-51-44-35-30-25-20-22-27-32-39-46-53-66(5)6/h14-17,65-70,75H,8-13,18-64H2,1-7H3,(H,80,81)(H,82,83)/b15-14-,17-16-/t67?,68-,69-,70-/m1/s1",ZQDHYHCCSXCDND,GGQNNOEVSA,N,"CL(a-13:0/i-17:0/i-17:0/18:2(9Z,11Z))[rac]",ZQDHYHCCSXCDND-GGQNNOEVSA-N
HMDB82027,1362.956577044,C74H140O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C74H140O17P2/c1-8-11-12-13-14-15-16-17-18-19-22-29-34-43-50-57-73(78)90-69(61-84-71(76)55-48-41-33-28-25-24-27-32-39-46-53-66(6)9-2)63-88-92(80,81)86-59-68(75)60-87-93(82,83)89-64-70(62-85-72(77)56-49-42-37-36-40-47-54-67(7)10-3)91-74(79)58-51-44-35-30-23-20-21-26-31-38-45-52-65(4)5/h15-18,65-70,75H,8-14,19-64H2,1-7H3,(H,80,81)(H,82,83)/b16-15-,18-17-/t66?,67?,68-,69-,70-/m1/s1",MEOIMQKVDUSJND,NLSSGRAFSA,N,"CL(a-13:0/i-17:0/a-17:0/18:2(9Z,11Z))[rac]",MEOIMQKVDUSJND-NLSSGRAFSA-N
HMDB82028,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C74H144O17P2/c1-9-66(7)52-44-36-28-22-18-19-25-31-41-49-57-74(79)91-70(61-85-72(77)55-47-39-33-32-37-45-53-67(8)10-2)63-89-93(82,83)87-59-68(75)58-86-92(80,81)88-62-69(60-84-71(76)54-46-38-29-23-17-13-15-21-27-35-43-51-65(5)6)90-73(78)56-48-40-30-24-16-12-11-14-20-26-34-42-50-64(3)4/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t66?,67?,68-,69-,70-/m1/s1",MPCMFYZMGIZPLC,NDUGWDHISA,N,CL(a-13:0/a-17:0/i-17:0/i-18:0)[rac],MPCMFYZMGIZPLC-NDUGWDHISA-N
HMDB82029,1362.956577044,C74H140O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C74H140O17P2/c1-8-10-11-12-13-14-15-16-17-18-21-28-35-43-50-57-73(78)90-69(61-84-71(76)55-48-41-34-27-24-23-26-33-40-47-54-67(7)9-2)63-88-92(80,81)86-59-68(75)60-87-93(82,83)89-64-70(62-85-72(77)56-49-42-37-30-32-39-46-53-66(5)6)91-74(79)58-51-44-36-29-22-19-20-25-31-38-45-52-65(3)4/h14-17,65-70,75H,8-13,18-64H2,1-7H3,(H,80,81)(H,82,83)/b15-14-,17-16-/t67?,68-,69-,70-/m1/s1",YVFPHDTWKZBEMU,GGQNNOEVSA,N,"CL(i-13:0/i-17:0/a-17:0/18:2(9Z,11Z))[rac]",YVFPHDTWKZBEMU-GGQNNOEVSA-N
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HMDB85030,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-31-32-38-46-54-71(76)84-60-69(90-73(78)56-48-40-30-24-27-35-43-51-65(6)7)62-88-92(81,82)86-58-67(74)57-85-91(79,80)87-61-68(89-72(77)55-47-39-29-23-22-26-34-42-50-64(4)5)59-83-70(75)53-45-37-28-21-19-17-15-13-11-10-12-14-16-18-20-25-33-41-49-63(2)3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1",AOECMEUDQJARGR,VZZKVGHUSA,N,CL(a-13:0/i-13:0/i-24:0/i-14:0)[rac],AOECMEUDQJARGR-VZZKVGHUSA-N
HMDB85031,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-31-32-40-48-56-73(78)90-69(60-84-71(76)54-46-38-30-24-27-35-43-51-65(6)7)62-88-92(81,82)86-58-67(74)57-85-91(79,80)87-61-68(89-72(77)55-47-39-29-23-22-26-34-42-50-64(4)5)59-83-70(75)53-45-37-28-21-19-17-15-13-11-10-12-14-16-18-20-25-33-41-49-63(2)3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1",LUTRUOSRAHTQFE,VZZKVGHUSA,N,CL(i-13:0/a-13:0/i-24:0/i-14:0)[rac],LUTRUOSRAHTQFE-VZZKVGHUSA-N
HMDB85032,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C74H144O17P2/c1-9-66(7)52-44-36-28-23-24-30-40-48-56-73(78)90-69(60-84-71(76)54-46-38-29-22-20-18-16-14-12-11-13-15-17-19-21-26-34-42-50-64(3)4)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(91-74(79)57-49-41-33-32-37-45-53-67(8)10-2)61-85-72(77)55-47-39-31-25-27-35-43-51-65(5)6/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t66?,67?,68-,69-,70-/m1/s1",QXHOBDDJPCQLMD,NDUGWDHISA,N,CL(i-13:0/a-13:0/i-24:0/a-15:0)[rac],QXHOBDDJPCQLMD-NDUGWDHISA-N
HMDB85033,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-64(2)50-42-34-26-20-17-15-13-11-9-10-12-14-16-18-22-30-38-46-54-71(76)84-60-69(90-73(78)56-48-40-31-23-19-21-27-35-43-51-65(3)4)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(91-74(79)57-49-41-33-25-29-37-45-53-67(7)8)61-85-72(77)55-47-39-32-24-28-36-44-52-66(5)6/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t68-,69-,70-/m1/s1",SLPROEJTMZSAIE,CRUFNAILSA,N,CL(i-13:0/i-13:0/i-24:0/i-15:0),SLPROEJTMZSAIE-CRUFNAILSA-N
HMDB85034,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C74H144O17P2/c1-9-66(7)52-44-36-30-32-39-47-55-72(77)85-61-70(91-74(79)57-49-41-33-31-37-45-53-67(8)10-2)63-89-93(82,83)87-59-68(75)58-86-92(80,81)88-62-69(90-73(78)56-48-40-29-25-21-23-27-35-43-51-65(5)6)60-84-71(76)54-46-38-28-24-20-18-16-14-12-11-13-15-17-19-22-26-34-42-50-64(3)4/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t66?,67?,68-,69-,70-/m1/s1",DXOIDSIKGUPHIE,NDUGWDHISA,N,CL(a-13:0/a-13:0/i-24:0/i-15:0)[rac],DXOIDSIKGUPHIE-NDUGWDHISA-N
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HMDB85036,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C74H144O17P2/c1-9-65(6)51-43-35-27-24-25-29-40-48-56-73(78)90-69(60-84-71(76)54-46-38-28-23-21-19-17-15-13-12-14-16-18-20-22-26-34-42-50-64(4)5)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(91-74(79)57-49-41-33-31-37-45-53-67(8)11-3)61-85-72(77)55-47-39-32-30-36-44-52-66(7)10-2/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t65?,66?,67?,68-,69-,70-/m1/s1",CRZQVCMKUJLWFK,DIHVZKTASA,N,CL(a-13:0/a-13:0/i-24:0/a-15:0)[rac],CRZQVCMKUJLWFK-DIHVZKTASA-N
HMDB85037,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C74H144O17P2/c1-9-67(8)53-45-37-32-33-41-49-57-74(79)91-70(61-85-72(77)55-47-39-31-25-28-36-44-52-66(6)7)63-89-93(82,83)87-59-68(75)58-86-92(80,81)88-62-69(90-73(78)56-48-40-30-24-20-22-27-35-43-51-65(4)5)60-84-71(76)54-46-38-29-23-19-17-15-13-11-10-12-14-16-18-21-26-34-42-50-64(2)3/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t67?,68-,69-,70-/m1/s1",VKRIUSWTXCNHDD,GUERLEBKSA,N,CL(i-13:0/a-13:0/i-24:0/i-15:0)[rac],VKRIUSWTXCNHDD-GUERLEBKSA-N
HMDB85038,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-9-67(8)53-45-37-29-22-23-31-40-48-56-73(78)90-69(60-84-71(76)54-46-38-30-21-19-17-15-13-11-10-12-14-16-18-20-26-34-42-50-64(2)3)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(91-74(79)57-49-41-33-25-28-36-44-52-66(6)7)61-85-72(77)55-47-39-32-24-27-35-43-51-65(4)5/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t67?,68-,69-,70-/m1/s1",VJOIPJYJYWZKKU,GUERLEBKSA,N,CL(i-13:0/i-13:0/i-24:0/a-15:0)[rac],VJOIPJYJYWZKKU-GUERLEBKSA-N
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HMDB85040,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-65(2)51-43-35-27-21-17-15-13-11-9-10-12-14-16-18-23-31-39-47-55-72(77)85-61-70(91-74(79)57-49-41-32-24-20-19-22-28-36-44-52-66(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(92-75(80)58-50-42-34-26-30-38-46-54-68(7)8)62-86-73(78)56-48-40-33-25-29-37-45-53-67(5)6/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t69-,70-,71-/m1/s1",YJPRLQUGMCNDLT,UMRXOVFLSA,N,CL(i-13:0/i-13:0/i-24:0/i-16:0),YJPRLQUGMCNDLT-UMRXOVFLSA-N
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HMDB85828,1226.831376529,C64H124O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-18-13-14-20-31-39-47-64(69)81-60(51-75-62(67)45-37-29-23-22-26-34-42-56(6)7)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(50-74-61(66)44-36-28-21-15-17-25-33-41-55(4)5)80-63(68)46-38-30-19-12-10-11-16-24-32-40-54(2)3/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59+,60+/m0/s1",NODSHXYZSLGEHA,QDBDBAFISA,N,CL(i-13:0/i-15:0/i-12:0/a-15:0)[rac],NODSHXYZSLGEHA-QDBDBAFISA-N
HMDB85829,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C64H124O17P2/c1-9-56(7)42-34-26-17-14-15-19-31-39-47-64(69)81-59(50-74-61(66)44-36-28-22-20-25-33-41-55(5)6)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(51-75-62(67)45-37-29-23-21-27-35-43-57(8)10-2)80-63(68)46-38-30-18-13-11-12-16-24-32-40-54(3)4/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59-,60-/m1/s1",VUMHNSADHGICON,STPLVTIASA,N,CL(a-13:0/i-15:0/i-12:0/a-15:0)[rac],VUMHNSADHGICON-STPLVTIASA-N
HMDB85830,1240.847026593,C65H126O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-55(2)41-33-25-17-12-9-10-14-20-31-39-47-64(69)82-61(52-76-63(68)46-38-30-24-23-28-36-44-58(7)8)54-80-84(73,74)78-50-59(66)49-77-83(71,72)79-53-60(51-75-62(67)45-37-29-22-16-19-27-35-43-57(5)6)81-65(70)48-40-32-21-15-11-13-18-26-34-42-56(3)4/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t59-,60+,61+/m0/s1",RPOSAUBWCYEQME,ZSGYRCJPSA,N,CL(i-13:0/i-15:0/i-12:0/i-16:0),RPOSAUBWCYEQME-ZSGYRCJPSA-N
HMDB85831,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C65H126O17P2/c1-9-57(7)43-35-27-18-15-16-20-32-40-48-65(70)82-61(52-76-63(68)46-38-30-24-22-28-36-44-58(8)10-2)54-80-84(73,74)78-50-59(66)49-77-83(71,72)79-53-60(51-75-62(67)45-37-29-23-21-26-34-42-56(5)6)81-64(69)47-39-31-19-14-12-11-13-17-25-33-41-55(3)4/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t57?,58?,59-,60-,61-/m1/s1",JGTAYZWBOPPORI,XRMFVLILSA,N,CL(a-13:0/a-15:0/i-12:0/i-16:0)[rac],JGTAYZWBOPPORI-XRMFVLILSA-N
HMDB85832,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-22-24-30-38-46-63(68)76-52-61(82-65(70)48-40-32-20-16-12-14-18-26-34-42-56(4)5)54-80-84(73,74)78-50-59(66)49-77-83(71,72)79-53-60(51-75-62(67)45-37-29-23-21-27-35-43-57(6)7)81-64(69)47-39-31-19-15-11-10-13-17-25-33-41-55(2)3/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60-,61-/m1/s1",KXSXDJYFPXLADL,BZUVKMRISA,N,CL(a-13:0/i-15:0/i-12:0/i-16:0)[rac],KXSXDJYFPXLADL-BZUVKMRISA-N
HMDB85833,1240.847026593,C65H126O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-19-14-15-21-32-40-48-65(70)82-60(51-75-62(67)45-37-29-22-16-18-26-34-42-56(4)5)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(52-76-63(68)46-38-30-24-23-27-35-43-57(6)7)81-64(69)47-39-31-20-13-11-10-12-17-25-33-41-55(2)3/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60+,61+/m0/s1",LDCQSHWPBMYMRM,KNSZLQBBSA,N,CL(i-13:0/a-15:0/i-12:0/i-16:0)[rac],LDCQSHWPBMYMRM-KNSZLQBBSA-N
HMDB85834,1254.862676658,C66H128O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-19-13-11-12-14-21-32-40-48-65(70)82-62(53-77-64(69)47-39-31-25-24-27-35-43-57(5)6)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(52-76-63(68)46-38-30-23-17-18-26-34-42-56(3)4)83-66(71)49-41-33-22-16-15-20-29-37-45-59(8)10-2/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61+,62+/m0/s1",LSHLFFIOCDFCMI,LSTYNGGHSA,N,CL(i-13:0/a-15:0/i-12:0/a-17:0)[rac],LSHLFFIOCDFCMI-LSTYNGGHSA-N
HMDB85835,1254.862676658,C66H128O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-56(2)42-34-26-18-13-10-9-11-15-21-32-40-48-65(70)83-62(53-77-64(69)47-39-31-25-24-29-37-45-59(7)8)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(52-76-63(68)46-38-30-23-17-20-28-36-44-58(5)6)82-66(71)49-41-33-22-16-12-14-19-27-35-43-57(3)4/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t60-,61+,62+/m0/s1",DCCZLDMUYLJIHH,ZOUCRUKKSA,N,CL(i-13:0/i-15:0/i-12:0/i-17:0),DCCZLDMUYLJIHH-ZOUCRUKKSA-N
HMDB85836,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-19-16-17-21-33-41-49-66(71)83-62(53-77-64(69)47-39-31-25-23-29-37-45-59(8)10-2)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(52-76-63(68)46-38-30-24-22-27-35-43-57(5)6)82-65(70)48-40-32-20-15-13-11-12-14-18-26-34-42-56(3)4/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",MIUIVPIGPGLYHE,ZQETVRIISA,N,CL(a-13:0/a-15:0/i-12:0/i-17:0)[rac],MIUIVPIGPGLYHE-ZQETVRIISA-N
HMDB85837,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-23-25-31-39-47-64(69)77-53-62(83-66(71)49-41-33-21-17-13-15-19-27-35-43-57(4)5)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(52-76-63(68)46-38-30-24-22-28-36-44-58(6)7)82-65(70)48-40-32-20-16-12-10-11-14-18-26-34-42-56(2)3/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61-,62-/m1/s1",RQVZKZKVXLQPRE,IVKGCWJXSA,N,CL(a-13:0/i-15:0/i-12:0/i-17:0)[rac],RQVZKZKVXLQPRE-IVKGCWJXSA-N
HMDB85838,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-57(6)43-35-27-18-14-12-13-15-20-32-40-48-65(70)82-61(52-76-63(68)46-38-30-24-22-26-34-42-56(4)5)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-25-23-29-37-45-59(8)11-3)83-66(71)49-41-33-21-17-16-19-28-36-44-58(7)10-2/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t57?,58?,59?,60-,61-,62-/m1/s1",VRGYJEQRYVDRJQ,SJIZFNHQSA,N,CL(a-13:0/a-15:0/i-12:0/a-17:0)[rac],VRGYJEQRYVDRJQ-SJIZFNHQSA-N
HMDB85839,1254.862676658,C66H128O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-20-15-16-22-33-41-49-66(71)83-61(52-76-63(68)46-38-30-23-17-19-27-35-43-57(4)5)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-25-24-28-36-44-58(6)7)82-65(70)48-40-32-21-14-12-10-11-13-18-26-34-42-56(2)3/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61+,62+/m0/s1",KMZDIRNTNFEUNG,PWWXFYBZSA,N,CL(i-13:0/a-15:0/i-12:0/i-17:0)[rac],KMZDIRNTNFEUNG-PWWXFYBZSA-N
HMDB85840,1254.862676658,C66H128O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-20-14-10-11-15-21-32-40-48-65(70)83-62(53-77-64(69)47-39-31-25-24-28-36-44-58(6)7)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(52-76-63(68)46-38-30-23-17-19-27-35-43-57(4)5)82-66(71)49-41-33-22-16-12-13-18-26-34-42-56(2)3/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61+,62+/m0/s1",YRLIAXYUKVTNHG,PWWXFYBZSA,N,CL(i-13:0/i-15:0/i-12:0/a-17:0)[rac],YRLIAXYUKVTNHG-PWWXFYBZSA-N
HMDB85841,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-19-15-11-12-16-20-32-40-48-65(70)82-61(52-76-63(68)46-38-30-24-22-27-35-43-57(5)6)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-25-23-29-37-45-59(8)10-2)83-66(71)49-41-33-21-17-13-14-18-26-34-42-56(3)4/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",UNFJTTYURSRPDX,ZQETVRIISA,N,CL(a-13:0/i-15:0/i-12:0/a-17:0)[rac],UNFJTTYURSRPDX-ZQETVRIISA-N
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HMDB86030,1226.831376529,C64H124O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-19-11-13-21-30-38-46-63(68)80-59(51-75-62(67)45-37-29-22-14-17-25-33-41-55(4)5)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(81-64(69)47-39-31-23-15-18-26-34-42-56(6)7)50-74-61(66)44-36-28-20-12-10-16-24-32-40-54(2)3/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59+,60+/m0/s1",AZDHYLHOLKRASN,QDBDBAFISA,N,CL(i-13:0/a-15:0/i-14:0/i-13:0)[rac],AZDHYLHOLKRASN-QDBDBAFISA-N
HMDB86031,1226.831376529,C64H124O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-22-23-31-39-47-64(69)81-60(51-74-61(66)44-36-28-19-14-13-17-25-33-41-55(4)5)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(50-75-62(67)45-37-29-21-15-18-26-34-42-56(6)7)80-63(68)46-38-30-20-12-10-11-16-24-32-40-54(2)3/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59+,60+/m0/s1",LDQRDSFQZNACHB,QDBDBAFISA,N,CL(i-13:0/i-15:0/i-14:0/a-13:0)[rac],LDQRDSFQZNACHB-QDBDBAFISA-N
HMDB86032,1226.831376529,C64H124O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-56(7)42-34-26-20-22-29-37-45-62(67)75-51-59(80-63(68)46-38-30-19-13-11-12-16-24-32-40-54(3)4)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(81-64(69)47-39-31-23-21-27-35-43-57(8)10-2)50-74-61(66)44-36-28-18-15-14-17-25-33-41-55(5)6/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59+,60+/m0/s1",SRUGGEMAPNGVHR,GHQLOGTISA,N,CL(a-13:0/i-15:0/i-14:0/a-13:0)[rac],SRUGGEMAPNGVHR-GHQLOGTISA-N
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HMDB86035,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-23-24-30-38-46-63(68)76-52-61(81-64(69)47-39-31-21-12-10-11-17-25-33-41-55(2)3)54-80-84(73,74)78-50-59(66)49-77-83(71,72)79-53-60(82-65(70)48-40-32-22-16-14-19-27-35-43-57(6)7)51-75-62(67)45-37-29-20-15-13-18-26-34-42-56(4)5/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60-,61-/m1/s1",LMCSIIYNWYGUSL,BZUVKMRISA,N,CL(a-13:0/i-15:0/i-14:0/i-14:0)[rac],LMCSIIYNWYGUSL-BZUVKMRISA-N
HMDB86036,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-20-12-15-23-32-40-48-65(70)82-61(52-76-63(68)46-38-30-24-16-19-27-35-43-57(6)7)54-80-84(73,74)78-50-59(66)49-77-83(71,72)79-53-60(81-64(69)47-39-31-22-14-11-18-26-34-42-56(4)5)51-75-62(67)45-37-29-21-13-10-17-25-33-41-55(2)3/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60-,61-/m1/s1",RNUTXHODKPLYQP,BZUVKMRISA,N,CL(i-13:0/a-15:0/i-14:0/i-14:0)[rac],RNUTXHODKPLYQP-BZUVKMRISA-N
HMDB86037,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-20-12-15-23-32-40-48-65(70)82-61(52-76-63(68)46-38-30-22-14-11-18-26-34-42-56(3)4)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-25-17-19-27-35-43-57(5)6)83-66(71)49-41-33-24-16-13-21-29-37-45-59(8)10-2/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",SBYUJKXEJJPRPK,ZQETVRIISA,N,CL(i-13:0/a-15:0/i-14:0/a-15:0)[rac],SBYUJKXEJJPRPK-ZQETVRIISA-N
HMDB86038,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-56(2)42-34-26-18-11-9-13-23-32-40-48-65(70)82-61(52-76-63(68)46-38-30-22-16-15-20-28-36-44-58(5)6)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-25-17-21-29-37-45-59(7)8)83-66(71)49-41-33-24-14-10-12-19-27-35-43-57(3)4/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t60-,61-,62-/m1/s1",FKAFJVCAMZUCMK,DLAFNDBQSA,N,CL(i-13:0/i-15:0/i-14:0/i-15:0),FKAFJVCAMZUCMK-DLAFNDBQSA-N
HMDB86039,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-20-15-17-23-33-41-49-66(71)83-62(53-77-64(69)47-39-31-25-24-29-37-45-59(8)10-2)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(52-76-63(68)46-38-30-21-16-14-19-27-35-43-57(5)6)82-65(70)48-40-32-22-13-11-12-18-26-34-42-56(3)4/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",OANVGSLUHYTJGY,ZQETVRIISA,N,CL(a-13:0/a-15:0/i-14:0/i-15:0)[rac],OANVGSLUHYTJGY-ZQETVRIISA-N
HMDB86040,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-24-25-31-39-47-64(69)77-53-62(83-66(71)49-41-33-23-15-11-13-19-27-35-43-57(4)5)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(52-76-63(68)46-38-30-21-17-16-20-28-36-44-58(6)7)82-65(70)48-40-32-22-14-10-12-18-26-34-42-56(2)3/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61-,62-/m1/s1",PSKQVXVFZHXSSV,IVKGCWJXSA,N,CL(a-13:0/i-15:0/i-14:0/i-15:0)[rac],PSKQVXVFZHXSSV-IVKGCWJXSA-N
HMDB86041,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-57(6)43-35-27-19-13-16-22-32-40-48-65(70)82-61(52-76-63(68)46-38-30-21-15-12-18-26-34-42-56(4)5)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-25-24-29-37-45-59(8)11-3)83-66(71)49-41-33-23-17-14-20-28-36-44-58(7)10-2/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t57?,58?,59?,60-,61-,62-/m1/s1",XBGDOVRBYFUJHJ,SJIZFNHQSA,N,CL(a-13:0/a-15:0/i-14:0/a-15:0)[rac],XBGDOVRBYFUJHJ-SJIZFNHQSA-N
HMDB86042,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-21-14-16-24-33-41-49-66(71)83-62(53-77-64(69)47-39-31-25-17-20-28-36-44-58(6)7)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(52-76-63(68)46-38-30-22-15-13-19-27-35-43-57(4)5)82-65(70)48-40-32-23-12-10-11-18-26-34-42-56(2)3/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61-,62-/m1/s1",PMVNNTBBQBWALM,IVKGCWJXSA,N,CL(i-13:0/a-15:0/i-14:0/i-15:0)[rac],PMVNNTBBQBWALM-IVKGCWJXSA-N
HMDB86043,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-21-14-16-24-33-41-49-66(71)83-61(52-76-63(68)46-38-30-22-15-13-19-27-35-43-57(4)5)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-25-17-20-28-36-44-58(6)7)82-65(70)48-40-32-23-12-10-11-18-26-34-42-56(2)3/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61-,62-/m1/s1",MRPJMQPDPRFWPR,IVKGCWJXSA,N,CL(i-13:0/i-15:0/i-14:0/a-15:0)[rac],MRPJMQPDPRFWPR-IVKGCWJXSA-N
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HMDB86622,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-55(6)41-33-25-16-12-14-18-28-36-44-61(66)74-50-59(80-63(68)46-38-30-19-15-13-17-26-34-42-56(7)10-2)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(51-75-62(67)45-37-29-22-20-24-32-40-54(4)5)81-64(69)47-39-31-23-21-27-35-43-57(8)11-3/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t55?,56?,57?,58-,59-,60-/m1/s1",NOEQHQMFAFXYOE,AHPVWDQFSA,N,CL(i-12:0/a-13:0/a-15:0/a-15:0)[rac],NOEQHQMFAFXYOE-AHPVWDQFSA-N
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HMDB86624,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-56(7)42-34-26-17-14-15-18-28-36-44-61(66)74-50-59(80-63(68)46-38-30-19-13-11-12-16-24-32-40-54(3)4)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(51-75-62(67)45-37-29-22-20-25-33-41-55(5)6)81-64(69)47-39-31-23-21-27-35-43-57(8)10-2/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59-,60-/m1/s1",MAJAUGBCUKJKFM,STPLVTIASA,N,CL(i-12:0/a-13:0/a-15:0/i-15:0)[rac],MAJAUGBCUKJKFM-STPLVTIASA-N
HMDB86625,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-21-23-31-39-47-64(69)81-60(51-75-62(67)45-37-29-22-20-26-34-42-56(6)7)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(80-63(68)46-38-30-19-15-11-13-17-25-33-41-55(4)5)50-74-61(66)44-36-28-18-14-10-12-16-24-32-40-54(2)3/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59-,60-/m1/s1",LDJPQVHVCAHCGB,QUCVKXQRSA,N,CL(i-12:0/a-13:0/i-15:0/i-15:0)[rac],LDJPQVHVCAHCGB-QUCVKXQRSA-N
HMDB86626,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-18-13-14-20-30-38-46-63(68)80-59(50-74-61(66)44-36-28-19-12-10-11-16-24-32-40-54(2)3)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(51-75-62(67)45-37-29-23-22-26-34-42-56(6)7)81-64(69)47-39-31-21-15-17-25-33-41-55(4)5/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59-,60-/m1/s1",BNEMNZIWELOZMA,QUCVKXQRSA,N,CL(i-12:0/i-13:0/i-15:0/a-15:0)[rac],BNEMNZIWELOZMA-QUCVKXQRSA-N
HMDB86627,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-55(2)41-33-25-17-12-9-10-14-21-31-39-47-64(69)81-60(51-75-62(67)45-37-29-20-15-11-13-18-26-34-42-56(3)4)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(52-76-63(68)46-38-30-24-23-28-36-44-58(7)8)82-65(70)48-40-32-22-16-19-27-35-43-57(5)6/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t59-,60-,61-/m1/s1",ACEQEYBXLPTODO,QBCHDFTKSA,N,CL(i-12:0/i-13:0/i-15:0/i-16:0),ACEQEYBXLPTODO-QBCHDFTKSA-N
HMDB86628,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-19-14-15-20-29-37-45-62(67)75-51-60(81-64(69)47-39-31-21-13-11-10-12-17-25-33-41-55(2)3)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(52-76-63(68)46-38-30-24-23-27-35-43-57(6)7)82-65(70)48-40-32-22-16-18-26-34-42-56(4)5/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60-,61-/m1/s1",KVSBHQOOKNAMMI,BZUVKMRISA,N,CL(i-12:0/i-13:0/a-15:0/i-16:0)[rac],KVSBHQOOKNAMMI-BZUVKMRISA-N
HMDB86629,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C65H126O17P2/c1-9-57(7)43-35-27-18-15-16-19-29-37-45-62(67)75-51-60(81-64(69)47-39-31-20-14-12-11-13-17-25-33-41-55(3)4)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(52-76-63(68)46-38-30-23-21-26-34-42-56(5)6)82-65(70)48-40-32-24-22-28-36-44-58(8)10-2/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t57?,58?,59-,60-,61-/m1/s1",OVSXVQFAQRVDRV,XRMFVLILSA,N,CL(i-12:0/a-13:0/a-15:0/i-16:0)[rac],OVSXVQFAQRVDRV-XRMFVLILSA-N
HMDB86630,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-22-24-32-40-48-65(70)82-61(52-76-63(68)46-38-30-23-21-27-35-43-57(6)7)54-80-84(73,74)78-50-59(66)49-77-83(71,72)79-53-60(51-75-62(67)45-37-29-19-16-12-14-18-26-34-42-56(4)5)81-64(69)47-39-31-20-15-11-10-13-17-25-33-41-55(2)3/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60-,61-/m1/s1",HUCHIUDXQCARFT,BZUVKMRISA,N,CL(i-12:0/a-13:0/i-15:0/i-16:0)[rac],HUCHIUDXQCARFT-BZUVKMRISA-N
HMDB86631,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-19-15-11-12-16-21-32-40-48-65(70)82-61(52-76-63(68)46-38-30-20-17-13-14-18-26-34-42-56(3)4)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-24-22-27-35-43-57(5)6)83-66(71)49-41-33-25-23-29-37-45-59(8)10-2/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",VNMPJDBXSXXFSW,ZQETVRIISA,N,CL(i-12:0/a-13:0/i-15:0/a-17:0)[rac],VNMPJDBXSXXFSW-ZQETVRIISA-N
HMDB86632,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-56(2)42-34-26-18-13-10-9-11-15-22-32-40-48-65(70)82-61(52-76-63(68)46-38-30-21-16-12-14-19-27-35-43-57(3)4)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-25-24-29-37-45-59(7)8)83-66(71)49-41-33-23-17-20-28-36-44-58(5)6/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t60-,61-,62-/m1/s1",JVKZIIZTVYQJMC,DLAFNDBQSA,N,CL(i-12:0/i-13:0/i-15:0/i-17:0),JVKZIIZTVYQJMC-DLAFNDBQSA-N
HMDB86633,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-20-15-16-21-30-38-46-63(68)76-52-61(82-65(70)48-40-32-22-14-12-10-11-13-18-26-34-42-56(2)3)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-25-24-28-36-44-58(6)7)83-66(71)49-41-33-23-17-19-27-35-43-57(4)5/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61-,62-/m1/s1",QIQANIHOAGIZIA,IVKGCWJXSA,N,CL(i-12:0/i-13:0/a-15:0/i-17:0)[rac],QIQANIHOAGIZIA-IVKGCWJXSA-N
HMDB86634,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-57(6)43-35-27-18-14-12-13-15-21-32-40-48-65(70)82-61(52-76-63(68)46-38-30-20-17-16-19-28-36-44-58(7)10-2)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-24-22-26-34-42-56(4)5)83-66(71)49-41-33-25-23-29-37-45-59(8)11-3/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t57?,58?,59?,60-,61-,62-/m1/s1",HLUGICROPOIWQM,SJIZFNHQSA,N,CL(i-12:0/a-13:0/a-15:0/a-17:0)[rac],HLUGICROPOIWQM-SJIZFNHQSA-N
HMDB86635,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-19-13-11-12-14-22-32-40-48-65(70)82-61(52-76-63(68)46-38-30-21-16-15-20-29-37-45-59(8)10-2)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-25-24-27-35-43-57(5)6)83-66(71)49-41-33-23-17-18-26-34-42-56(3)4/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",ZXJJJVSTEQYFHW,ZQETVRIISA,N,CL(i-12:0/i-13:0/a-15:0/a-17:0)[rac],ZXJJJVSTEQYFHW-ZQETVRIISA-N
HMDB86636,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-19-16-17-20-30-38-46-63(68)76-52-61(82-65(70)48-40-32-21-15-13-11-12-14-18-26-34-42-56(3)4)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-24-22-27-35-43-57(5)6)83-66(71)49-41-33-25-23-29-37-45-59(8)10-2/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",KBEVBYUVBINTMQ,ZQETVRIISA,N,CL(i-12:0/a-13:0/a-15:0/i-17:0)[rac],KBEVBYUVBINTMQ-ZQETVRIISA-N
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HMDB87579,1226.831376529,C64H124O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-56(7)42-34-26-17-14-15-18-28-36-44-61(66)74-50-60(81-64(69)47-39-31-23-21-27-35-43-57(8)10-2)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(51-75-62(67)45-37-29-22-20-25-33-41-55(5)6)80-63(68)46-38-30-19-13-11-12-16-24-32-40-54(3)4/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59+,60+/m0/s1",GOCZXYDBHCYVJK,GHQLOGTISA,N,CL(i-12:0/i-15:0/a-15:0/a-13:0)[rac],GOCZXYDBHCYVJK-GHQLOGTISA-N
HMDB87580,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-56(7)42-34-26-17-11-13-19-28-36-44-61(66)74-50-59(81-64(69)47-39-31-21-15-16-24-32-40-54(3)4)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(51-75-62(67)45-37-29-23-22-25-33-41-55(5)6)80-63(68)46-38-30-20-14-12-18-27-35-43-57(8)10-2/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59-,60-/m1/s1",JLMHXAMJUOHALO,STPLVTIASA,N,CL(i-12:0/a-15:0/a-15:0/i-13:0)[rac],JLMHXAMJUOHALO-STPLVTIASA-N
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HMDB87583,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-55(2)41-33-25-17-11-9-13-20-29-37-45-62(67)75-51-60(82-65(70)48-40-32-22-16-15-19-27-35-43-57(5)6)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(52-76-63(68)46-38-30-24-23-28-36-44-58(7)8)81-64(69)47-39-31-21-14-10-12-18-26-34-42-56(3)4/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t59-,60-,61-/m1/s1",DYLNUCKFFXUYLT,QBCHDFTKSA,N,CL(i-12:0/i-15:0/i-15:0/i-14:0),DYLNUCKFFXUYLT-QBCHDFTKSA-N
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HMDB87585,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C65H126O17P2/c1-9-57(7)43-35-27-18-12-15-20-29-37-45-62(67)75-51-60(81-64(69)47-39-31-21-14-11-17-25-33-41-55(3)4)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(52-76-63(68)46-38-30-24-23-26-34-42-56(5)6)82-65(70)48-40-32-22-16-13-19-28-36-44-58(8)10-2/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t57?,58?,59-,60-,61-/m1/s1",JTVFVPMLNQEQBE,XRMFVLILSA,N,CL(i-12:0/a-15:0/a-15:0/i-14:0)[rac],JTVFVPMLNQEQBE-XRMFVLILSA-N
HMDB87586,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-19-14-16-22-32-40-48-65(70)82-61(52-76-63(68)46-38-30-24-23-27-35-43-57(6)7)54-80-84(73,74)78-50-59(66)49-77-83(71,72)79-53-60(81-64(69)47-39-31-21-15-13-18-26-34-42-56(4)5)51-75-62(67)45-37-29-20-12-10-11-17-25-33-41-55(2)3/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60-,61-/m1/s1",VRRUSAFXFJEETR,BZUVKMRISA,N,CL(i-12:0/a-15:0/i-15:0/i-14:0)[rac],VRRUSAFXFJEETR-BZUVKMRISA-N
HMDB87587,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-19-14-16-22-32-40-48-65(70)82-61(52-76-63(68)46-38-30-21-13-11-12-18-26-34-42-56(3)4)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(53-77-64(69)47-39-31-25-24-27-35-43-57(5)6)83-66(71)49-41-33-23-17-15-20-29-37-45-59(8)10-2/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",DZNAPRIYJKAPDH,ZQETVRIISA,N,CL(i-12:0/a-15:0/i-15:0/a-15:0)[rac],DZNAPRIYJKAPDH-ZQETVRIISA-N
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HMDB87732,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-64(2)50-42-34-26-20-15-12-10-9-11-13-17-24-30-40-48-56-73(78)90-69(60-84-71(76)54-46-38-29-23-18-14-16-21-27-35-43-51-65(3)4)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-32-37-45-53-67(7)8)91-74(79)57-49-41-31-25-19-22-28-36-44-52-66(5)6/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t68-,69-,70-/m1/s1",QXCYVIBYVCWMTO,CRUFNAILSA,N,CL(i-12:0/i-15:0/i-17:0/i-21:0),QXCYVIBYVCWMTO-CRUFNAILSA-N
HMDB87733,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-9-67(8)53-45-37-28-22-17-18-23-29-38-46-54-71(76)84-60-69(90-73(78)56-48-40-30-24-16-14-12-10-11-13-15-20-26-34-42-50-64(2)3)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-32-36-44-52-66(6)7)91-74(79)57-49-41-31-25-19-21-27-35-43-51-65(4)5/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t67?,68-,69-,70-/m1/s1",CUNLMCIFPOOAPM,GUERLEBKSA,N,CL(i-12:0/i-15:0/a-17:0/i-21:0)[rac],CUNLMCIFPOOAPM-GUERLEBKSA-N
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HMDB89728,1531.144377817,C86H164O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C86H164O17P2/c1-8-10-11-12-13-14-15-16-23-30-35-40-45-53-60-67-83(88)96-73-81(102-85(90)69-62-56-47-42-37-32-27-22-21-24-28-33-38-43-50-57-64-77(3)4)75-100-104(92,93)98-71-80(87)72-99-105(94,95)101-76-82(74-97-84(89)68-61-54-49-48-51-58-65-78(5)6)103-86(91)70-63-55-46-41-36-31-26-20-18-17-19-25-29-34-39-44-52-59-66-79(7)9-2/h14-16,23,77-82,87H,8-13,17-22,24-76H2,1-7H3,(H,92,93)(H,94,95)/b15-14-,23-16-/t79?,80-,81-,82-/m1/s1",OPPYITQSOUCHKU,RHIXAKIASA,N,"CL(i-12:0/a-25:0/18:2(9Z,11Z)/i-22:0)[rac]",OPPYITQSOUCHKU-RHIXAKIASA-N
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HMDB90115,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C64H124O17P2/c1-9-56(7)42-34-26-17-13-11-12-14-18-28-36-44-61(66)74-50-59(80-63(68)46-38-30-19-15-16-24-32-40-54(3)4)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(81-64(69)47-39-31-22-20-25-33-41-55(5)6)51-75-62(67)45-37-29-23-21-27-35-43-57(8)10-2/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59-,60-/m1/s1",PJMZIBANEZTPPZ,STPLVTIASA,N,CL(a-13:0/i-12:0/a-17:0/i-13:0)[rac],PJMZIBANEZTPPZ-STPLVTIASA-N
HMDB90116,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-18-12-10-11-13-19-28-36-44-61(66)74-50-59(80-63(68)46-38-30-21-15-17-25-33-41-55(4)5)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(81-64(69)47-39-31-23-22-26-34-42-56(6)7)51-75-62(67)45-37-29-20-14-16-24-32-40-54(2)3/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59-,60-/m1/s1",KOGKGCSQUBFPMV,QUCVKXQRSA,N,CL(i-13:0/i-12:0/a-17:0/i-13:0)[rac],KOGKGCSQUBFPMV-QUCVKXQRSA-N
HMDB90117,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-21-23-29-37-45-62(67)75-51-60(81-64(69)47-39-31-22-20-26-34-42-56(6)7)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(80-63(68)46-38-30-19-15-17-25-33-41-55(4)5)50-74-61(66)44-36-28-18-14-12-10-11-13-16-24-32-40-54(2)3/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59-,60-/m1/s1",IGFJXFHIWMDFTC,QUCVKXQRSA,N,CL(a-13:0/i-12:0/i-17:0/i-13:0)[rac],IGFJXFHIWMDFTC-QUCVKXQRSA-N
HMDB90118,1226.831376529,C64H124O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-56(7)42-34-26-17-13-11-12-14-18-28-36-44-61(66)74-50-60(81-64(69)47-39-31-23-21-27-35-43-57(8)10-2)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(80-63(68)46-38-30-22-20-25-33-41-55(5)6)51-75-62(67)45-37-29-19-15-16-24-32-40-54(3)4/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59+,60+/m0/s1",DQNHUCFPTRNSLU,GHQLOGTISA,N,CL(i-13:0/i-12:0/a-17:0/a-13:0)[rac],DQNHUCFPTRNSLU-GHQLOGTISA-N
HMDB90119,1226.831376529,C64H124O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-55(6)41-33-25-16-14-12-13-15-17-28-36-44-61(66)74-50-59(81-64(69)47-39-31-23-20-27-35-43-57(8)11-3)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(80-63(68)46-38-30-21-18-24-32-40-54(4)5)51-75-62(67)45-37-29-22-19-26-34-42-56(7)10-2/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t55?,56?,57?,58-,59-,60-/m1/s1",FAUJSUSUIVCREK,AHPVWDQFSA,N,CL(a-13:0/i-12:0/a-17:0/a-13:0)[rac],FAUJSUSUIVCREK-AHPVWDQFSA-N
HMDB90120,1226.831376529,C64H124O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-21-23-31-39-47-64(69)81-60(50-74-61(66)44-36-28-18-14-12-10-11-13-16-24-32-40-54(2)3)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(80-63(68)46-38-30-22-20-26-34-42-56(6)7)51-75-62(67)45-37-29-19-15-17-25-33-41-55(4)5/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59+,60+/m0/s1",SBOAJCKGDSOEOA,QDBDBAFISA,N,CL(i-13:0/i-12:0/i-17:0/a-13:0)[rac],SBOAJCKGDSOEOA-QDBDBAFISA-N
HMDB90121,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C64H124O17P2/c1-9-56(7)42-34-26-19-22-29-37-45-62(67)75-51-60(80-63(68)46-38-30-21-18-25-33-41-55(5)6)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(81-64(69)47-39-31-23-20-27-35-43-57(8)10-2)50-74-61(66)44-36-28-17-15-13-11-12-14-16-24-32-40-54(3)4/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59-,60-/m1/s1",VBZBILMKULUYHR,STPLVTIASA,N,CL(a-13:0/i-12:0/i-17:0/a-13:0)[rac],VBZBILMKULUYHR-STPLVTIASA-N
HMDB90122,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-55(2)41-33-25-17-12-10-9-11-13-20-29-37-45-62(67)75-51-60(81-64(69)47-39-31-21-15-14-18-26-34-42-56(3)4)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(82-65(70)48-40-32-24-23-28-36-44-58(7)8)52-76-63(68)46-38-30-22-16-19-27-35-43-57(5)6/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t59-,60-,61-/m1/s1",ZDQZYGIAGGFBHV,QBCHDFTKSA,N,CL(i-13:0/i-12:0/i-17:0/i-14:0),ZDQZYGIAGGFBHV-QBCHDFTKSA-N
HMDB90123,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-9-57(7)43-35-27-18-13-11-12-14-19-29-37-45-62(67)75-51-60(81-64(69)47-39-31-20-16-15-17-25-33-41-55(3)4)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(82-65(70)48-40-32-23-21-26-34-42-56(5)6)52-76-63(68)46-38-30-24-22-28-36-44-58(8)10-2/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t57?,58?,59-,60-,61-/m1/s1",ALRJMADPHMXKOC,XRMFVLILSA,N,CL(a-13:0/i-12:0/a-17:0/i-14:0)[rac],ALRJMADPHMXKOC-XRMFVLILSA-N
HMDB90124,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-19-12-10-11-13-20-29-37-45-62(67)75-51-60(81-64(69)47-39-31-21-15-14-17-25-33-41-55(2)3)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(82-65(70)48-40-32-24-23-27-35-43-57(6)7)52-76-63(68)46-38-30-22-16-18-26-34-42-56(4)5/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60-,61-/m1/s1",KBKHUDGLPJRSSV,BZUVKMRISA,N,CL(i-13:0/i-12:0/a-17:0/i-14:0)[rac],KBKHUDGLPJRSSV-BZUVKMRISA-N
HMDB90125,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-22-24-30-38-46-63(68)76-52-61(82-65(70)48-40-32-23-21-27-35-43-57(6)7)54-80-84(73,74)78-50-59(66)49-77-83(71,72)79-53-60(81-64(69)47-39-31-20-16-15-18-26-34-42-56(4)5)51-75-62(67)45-37-29-19-14-12-10-11-13-17-25-33-41-55(2)3/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60-,61-/m1/s1",VUGNPLBVVVYIEJ,BZUVKMRISA,N,CL(a-13:0/i-12:0/i-17:0/i-14:0)[rac],VUGNPLBVVVYIEJ-BZUVKMRISA-N
HMDB90126,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-56(2)42-34-26-18-13-10-9-11-15-21-30-38-46-63(68)76-52-61(82-65(70)48-40-32-22-16-12-14-19-27-35-43-57(3)4)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(83-66(71)49-41-33-25-24-29-37-45-59(7)8)53-77-64(69)47-39-31-23-17-20-28-36-44-58(5)6/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t60-,61-,62-/m1/s1",QKJROXUYFJBFAX,DLAFNDBQSA,N,CL(i-13:0/i-12:0/i-17:0/i-15:0),QKJROXUYFJBFAX-DLAFNDBQSA-N
HMDB90127,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-19-15-11-12-16-20-30-38-46-63(68)76-52-61(82-65(70)48-40-32-21-17-13-14-18-26-34-42-56(3)4)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(83-66(71)49-41-33-24-22-27-35-43-57(5)6)53-77-64(69)47-39-31-25-23-29-37-45-59(8)10-2/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",PPNVKBKRFLNVPS,ZQETVRIISA,N,CL(a-13:0/i-12:0/a-17:0/i-15:0)[rac],PPNVKBKRFLNVPS-ZQETVRIISA-N
HMDB90128,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-20-14-10-11-15-21-30-38-46-63(68)76-52-61(82-65(70)48-40-32-22-16-12-13-18-26-34-42-56(2)3)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(83-66(71)49-41-33-25-24-28-36-44-58(6)7)53-77-64(69)47-39-31-23-17-19-27-35-43-57(4)5/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61-,62-/m1/s1",WLKPKJAAQAFIRG,IVKGCWJXSA,N,CL(i-13:0/i-12:0/a-17:0/i-15:0)[rac],WLKPKJAAQAFIRG-IVKGCWJXSA-N
HMDB90129,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-23-25-31-39-47-64(69)77-53-62(83-66(71)49-41-33-24-22-28-36-44-58(6)7)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(82-65(70)48-40-32-21-17-13-15-19-27-35-43-57(4)5)52-76-63(68)46-38-30-20-16-12-10-11-14-18-26-34-42-56(2)3/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61-,62-/m1/s1",QWYDKZGQQVPBGA,IVKGCWJXSA,N,CL(a-13:0/i-12:0/i-17:0/i-15:0)[rac],QWYDKZGQQVPBGA-IVKGCWJXSA-N
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HMDB90778,1226.831376529,C64H124O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-55(6)41-33-25-17-13-15-19-29-37-45-62(67)75-51-60(81-64(69)47-39-31-23-21-27-35-43-57(8)11-3)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(80-63(68)46-38-30-22-20-26-34-42-56(7)10-2)50-74-61(66)44-36-28-18-14-12-16-24-32-40-54(4)5/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t55?,56?,57?,58-,59+,60+/m0/s1",OIMQPDFUYPDNNY,GWRGQGBGSA,N,CL(i-14:0/a-13:0/a-15:0/a-13:0)[rac],OIMQPDFUYPDNNY-GWRGQGBGSA-N
HMDB90779,1226.831376529,C64H124O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-56(7)42-34-26-18-12-14-20-29-37-45-62(67)75-51-60(81-64(69)47-39-31-23-22-27-35-43-57(8)10-2)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(80-63(68)46-38-30-21-15-17-25-33-41-55(5)6)50-74-61(66)44-36-28-19-13-11-16-24-32-40-54(3)4/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59+,60+/m0/s1",LHODFRHHLLGSCC,GHQLOGTISA,N,CL(i-14:0/i-13:0/a-15:0/a-13:0)[rac],LHODFRHHLLGSCC-GHQLOGTISA-N
HMDB90780,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-56(7)42-34-26-18-12-14-20-29-37-45-62(67)74-50-59(80-63(68)46-38-30-21-15-17-25-33-41-55(5)6)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(81-64(69)47-39-31-23-22-27-35-43-57(8)10-2)51-75-61(66)44-36-28-19-13-11-16-24-32-40-54(3)4/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59-,60-/m1/s1",XXTQUNAFPHDXLD,STPLVTIASA,N,CL(i-14:0/a-13:0/a-15:0/i-13:0)[rac],XXTQUNAFPHDXLD-STPLVTIASA-N
HMDB90781,1226.831376529,C64H124O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-22-23-31-39-47-64(69)81-60(51-75-62(67)45-37-29-20-14-13-17-25-33-41-55(4)5)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(80-63(68)46-38-30-21-15-18-26-34-42-56(6)7)50-74-61(66)44-36-28-19-12-10-11-16-24-32-40-54(2)3/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59-,60-/m1/s1",YSKYBMOWVGARSA,QUCVKXQRSA,N,CL(i-14:0/a-13:0/i-15:0/i-13:0)[rac],YSKYBMOWVGARSA-QUCVKXQRSA-N
HMDB90782,1226.831376529,C64H124O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-22-23-31-39-47-64(69)81-60(51-74-61(66)44-36-28-19-12-10-11-16-24-32-40-54(2)3)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(80-63(68)46-38-30-21-15-18-26-34-42-56(6)7)50-75-62(67)45-37-29-20-14-13-17-25-33-41-55(4)5/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59+,60+/m0/s1",ZOALOLBUTXBSIL,QDBDBAFISA,N,CL(i-14:0/i-13:0/i-15:0/a-13:0)[rac],ZOALOLBUTXBSIL-QDBDBAFISA-N
HMDB90783,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-55(2)41-33-25-17-10-9-11-21-29-37-45-62(67)75-51-60(81-64(69)47-39-31-23-15-13-19-27-35-43-57(5)6)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(82-65(70)48-40-32-24-16-20-28-36-44-58(7)8)52-76-63(68)46-38-30-22-14-12-18-26-34-42-56(3)4/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t59-,60-,61-/m1/s1",HMPQDADTNZYNAC,QBCHDFTKSA,N,CL(i-14:0/i-13:0/i-15:0/i-14:0),HMPQDADTNZYNAC-QBCHDFTKSA-N
HMDB90784,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-20-12-15-22-30-38-46-63(68)76-51-60(81-64(69)47-39-31-23-14-11-18-26-34-42-56(4)5)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(82-65(70)48-40-32-24-16-19-27-35-43-57(6)7)52-75-62(67)45-37-29-21-13-10-17-25-33-41-55(2)3/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60-,61-/m1/s1",RBCZXKLKQYHPEZ,BZUVKMRISA,N,CL(i-14:0/i-13:0/a-15:0/i-14:0)[rac],RBCZXKLKQYHPEZ-BZUVKMRISA-N
HMDB90785,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C65H126O17P2/c1-9-57(7)43-35-27-19-13-16-21-30-38-46-63(68)75-51-60(81-64(69)47-39-31-22-15-12-18-26-34-42-56(5)6)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(82-65(70)48-40-32-24-23-28-36-44-58(8)10-2)52-76-62(67)45-37-29-20-14-11-17-25-33-41-55(3)4/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t57?,58?,59-,60-,61-/m1/s1",XFLOSDMMLIJFKN,XRMFVLILSA,N,CL(i-14:0/a-13:0/a-15:0/i-14:0)[rac],XFLOSDMMLIJFKN-XRMFVLILSA-N
HMDB90786,1240.847026593,C65H126O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-23-24-32-40-48-65(70)82-61(52-76-63(68)46-38-30-21-15-13-18-26-34-42-56(4)5)54-80-84(73,74)78-50-59(66)49-77-83(71,72)79-53-60(81-64(69)47-39-31-22-16-14-19-27-35-43-57(6)7)51-75-62(67)45-37-29-20-12-10-11-17-25-33-41-55(2)3/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60-,61-/m1/s1",SIIIEGNYZAOWRC,BZUVKMRISA,N,CL(i-14:0/a-13:0/i-15:0/i-14:0)[rac],SIIIEGNYZAOWRC-BZUVKMRISA-N
HMDB90787,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-20-15-17-23-32-40-48-65(70)82-61(52-76-63(68)46-38-30-21-13-11-12-18-26-34-42-56(3)4)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(83-66(71)49-41-33-25-24-29-37-45-59(8)10-2)53-77-64(69)47-39-31-22-16-14-19-27-35-43-57(5)6/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",FBKSJCDQTSVCAI,ZQETVRIISA,N,CL(i-14:0/a-13:0/i-15:0/a-15:0)[rac],FBKSJCDQTSVCAI-ZQETVRIISA-N
HMDB90788,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-56(2)42-34-26-18-11-9-13-22-30-38-46-63(68)76-52-61(82-65(70)48-40-32-24-14-10-12-19-27-35-43-57(3)4)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(83-66(71)49-41-33-25-17-21-29-37-45-59(7)8)53-77-64(69)47-39-31-23-16-15-20-28-36-44-58(5)6/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t60-,61-,62-/m1/s1",MUXYUEPBGMRINF,DLAFNDBQSA,N,CL(i-14:0/i-13:0/i-15:0/i-15:0),MUXYUEPBGMRINF-DLAFNDBQSA-N
HMDB90789,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-21-14-16-23-31-39-47-64(69)77-52-61(82-65(70)48-40-32-24-12-10-11-18-26-34-42-56(2)3)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(83-66(71)49-41-33-25-17-20-28-36-44-58(6)7)53-76-63(68)46-38-30-22-15-13-19-27-35-43-57(4)5/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61-,62-/m1/s1",OLLOMAVHCPGVLB,IVKGCWJXSA,N,CL(i-14:0/i-13:0/a-15:0/i-15:0)[rac],OLLOMAVHCPGVLB-IVKGCWJXSA-N
HMDB90790,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-57(6)43-35-27-19-13-16-22-31-39-47-64(69)76-52-61(82-65(70)48-40-32-23-17-14-20-28-36-44-58(7)10-2)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(83-66(71)49-41-33-25-24-29-37-45-59(8)11-3)53-77-63(68)46-38-30-21-15-12-18-26-34-42-56(4)5/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t57?,58?,59?,60-,61-,62-/m1/s1",GTEPHVGGLRPRNC,SJIZFNHQSA,N,CL(i-14:0/a-13:0/a-15:0/a-15:0)[rac],GTEPHVGGLRPRNC-SJIZFNHQSA-N
HMDB90791,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-20-12-15-23-31-39-47-64(69)77-52-61(82-65(70)48-40-32-24-16-13-21-29-37-45-59(8)10-2)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(83-66(71)49-41-33-25-17-19-27-35-43-57(5)6)53-76-63(68)46-38-30-22-14-11-18-26-34-42-56(3)4/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",XPBFWEVRZURDEY,ZQETVRIISA,N,CL(i-14:0/i-13:0/a-15:0/a-15:0)[rac],XPBFWEVRZURDEY-ZQETVRIISA-N
HMDB90792,1254.862676658,C66H128O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-58(7)44-36-28-20-15-17-22-31-39-47-64(69)76-52-61(82-65(70)48-40-32-23-13-11-12-18-26-34-42-56(3)4)54-80-84(72,73)78-50-60(67)51-79-85(74,75)81-55-62(83-66(71)49-41-33-25-24-29-37-45-59(8)10-2)53-77-63(68)46-38-30-21-16-14-19-27-35-43-57(5)6/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t58?,59?,60-,61-,62-/m1/s1",PWHCHRXXKRCQHW,ZQETVRIISA,N,CL(i-14:0/a-13:0/a-15:0/i-15:0)[rac],PWHCHRXXKRCQHW-ZQETVRIISA-N
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HMDB90828,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-30-31-39-47-55-72(77)89-68(59-83-70(75)53-45-37-28-23-22-26-34-42-50-64(6)7)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(58-82-69(74)52-44-36-27-21-17-19-25-33-41-49-63(4)5)88-71(76)54-46-38-29-20-16-14-12-10-11-13-15-18-24-32-40-48-62(2)3/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1",CRMPIBKLCCXSDQ,CNXFOIRDSA,N,CL(i-14:0/a-13:0/i-15:0/i-21:0)[rac],CRMPIBKLCCXSDQ-CNXFOIRDSA-N
HMDB90829,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-27-18-14-12-10-11-13-15-19-30-38-46-54-71(76)88-67(58-82-69(74)52-44-36-28-20-16-17-24-32-40-48-62(2)3)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(89-72(77)55-47-39-31-23-26-34-42-50-64(6)7)59-83-70(75)53-45-37-29-22-21-25-33-41-49-63(4)5/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1",ZOAQOZWKAUBSBE,CNXFOIRDSA,N,CL(i-14:0/i-13:0/i-15:0/a-21:0)[rac],ZOAQOZWKAUBSBE-CNXFOIRDSA-N
HMDB90830,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-63(2)49-41-33-25-18-15-13-11-9-10-12-14-16-20-31-39-47-55-72(77)89-68(59-83-70(75)53-45-37-29-21-17-19-26-34-42-50-64(3)4)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(90-73(78)56-48-40-32-24-28-36-44-52-66(7)8)60-84-71(76)54-46-38-30-23-22-27-35-43-51-65(5)6/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t67-,68-,69-/m1/s1",FOOXTYQNQCDNNO,SHBPMHELSA,N,CL(i-14:0/i-13:0/i-15:0/i-22:0),FOOXTYQNQCDNNO-SHBPMHELSA-N
HMDB90831,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-28-21-23-30-38-46-54-71(76)84-59-68(89-72(77)55-47-39-31-19-17-15-13-11-10-12-14-16-18-25-33-41-49-63(2)3)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(90-73(78)56-48-40-32-24-27-35-43-51-65(6)7)60-83-70(75)53-45-37-29-22-20-26-34-42-50-64(4)5/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1",OUILUCWNTKFXOP,VZZKVGHUSA,N,CL(i-14:0/i-13:0/a-15:0/i-22:0)[rac],OUILUCWNTKFXOP-VZZKVGHUSA-N
HMDB90832,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-65(7)51-43-35-27-22-24-29-38-46-54-71(76)83-59-68(89-72(77)55-47-39-30-20-18-16-14-12-11-13-15-17-19-25-33-41-49-63(3)4)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(90-73(78)56-48-40-32-31-36-44-52-66(8)10-2)60-84-70(75)53-45-37-28-23-21-26-34-42-50-64(5)6/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t65?,66?,67-,68-,69-/m1/s1",QVXGGTJWIHEGFZ,CNCDLFKZSA,N,CL(i-14:0/a-13:0/a-15:0/i-22:0)[rac],QVXGGTJWIHEGFZ-CNCDLFKZSA-N
HMDB90833,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-31-32-40-48-56-73(78)90-69(60-84-71(76)54-46-38-29-24-23-27-35-43-51-65(6)7)62-88-92(81,82)86-58-67(74)57-85-91(79,80)87-61-68(59-83-70(75)53-45-37-28-22-18-20-26-34-42-50-64(4)5)89-72(77)55-47-39-30-21-17-15-13-11-10-12-14-16-19-25-33-41-49-63(2)3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1",ZLJFXVHYGWBPCU,VZZKVGHUSA,N,CL(i-14:0/a-13:0/i-15:0/i-22:0)[rac],ZLJFXVHYGWBPCU-VZZKVGHUSA-N
HMDB90834,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-65(2)51-43-35-27-20-17-15-13-11-9-10-12-14-16-18-22-33-41-49-57-74(79)91-70(61-85-72(77)55-47-39-31-23-19-21-28-36-44-52-66(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(92-75(80)58-50-42-34-26-30-38-46-54-68(7)8)62-86-73(78)56-48-40-32-25-24-29-37-45-53-67(5)6/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t69-,70-,71-/m1/s1",UILGRKVXSMYVNG,UMRXOVFLSA,N,CL(i-14:0/i-13:0/i-15:0/i-24:0),UILGRKVXSMYVNG-UMRXOVFLSA-N
HMDB90835,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-9-68(8)54-46-38-30-23-25-32-40-48-56-73(78)86-61-70(91-74(79)57-49-41-33-21-19-17-15-13-11-10-12-14-16-18-20-27-35-43-51-65(2)3)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(92-75(80)58-50-42-34-26-29-37-45-53-67(6)7)62-85-72(77)55-47-39-31-24-22-28-36-44-52-66(4)5/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t68?,69-,70-,71-/m1/s1",NPDYGSHZCKQYPN,VJMMPQDESA,N,CL(i-14:0/i-13:0/a-15:0/i-24:0)[rac],NPDYGSHZCKQYPN-VJMMPQDESA-N
HMDB90836,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C75H146O17P2/c1-9-67(7)53-45-37-29-24-26-31-40-48-56-73(78)85-61-70(91-74(79)57-49-41-32-22-20-18-16-14-12-11-13-15-17-19-21-27-35-43-51-65(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(92-75(80)58-50-42-34-33-38-46-54-68(8)10-2)62-86-72(77)55-47-39-30-25-23-28-36-44-52-66(5)6/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t67?,68?,69-,70-,71-/m1/s1",UPSNAZBLVKNQNF,LDCDTRRZSA,N,CL(i-14:0/a-13:0/a-15:0/i-24:0)[rac],UPSNAZBLVKNQNF-LDCDTRRZSA-N
HMDB90837,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C75H146O17P2/c1-9-68(8)54-46-38-33-34-42-50-58-75(80)92-71(62-86-73(78)56-48-40-31-26-25-29-37-45-53-67(6)7)64-90-94(83,84)88-60-69(76)59-87-93(81,82)89-63-70(61-85-72(77)55-47-39-30-24-20-22-28-36-44-52-66(4)5)91-74(79)57-49-41-32-23-19-17-15-13-11-10-12-14-16-18-21-27-35-43-51-65(2)3/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t68?,69-,70-,71-/m1/s1",XNZRJSLBMYGQJJ,VJMMPQDESA,N,CL(i-14:0/a-13:0/i-15:0/i-24:0)[rac],XNZRJSLBMYGQJJ-VJMMPQDESA-N
HMDB90838,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C76H148O17P2/c1-9-68(7)54-46-38-30-23-19-17-15-13-11-12-14-16-18-20-24-33-42-50-58-75(80)92-71(62-86-73(78)56-48-40-31-25-21-22-28-36-44-52-66(3)4)64-90-94(82,83)88-60-70(77)61-89-95(84,85)91-65-72(93-76(81)59-51-43-35-34-39-47-55-69(8)10-2)63-87-74(79)57-49-41-32-27-26-29-37-45-53-67(5)6/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t68?,69?,70-,71-,72-/m1/s1",AWWUOTZHFYJFQD,FRCMSDPSSA,N,CL(i-14:0/a-13:0/i-15:0/a-25:0)[rac],AWWUOTZHFYJFQD-FRCMSDPSSA-N
HMDB90839,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C76H148O17P2/c1-9-67(6)53-45-37-29-22-20-18-16-14-12-13-15-17-19-21-23-33-42-50-58-75(80)92-71(62-86-74(79)57-49-41-32-27-25-30-38-46-54-68(7)10-2)64-90-94(82,83)88-60-70(77)61-89-95(84,85)91-65-72(93-76(81)59-51-43-35-34-39-47-55-69(8)11-3)63-87-73(78)56-48-40-31-26-24-28-36-44-52-66(4)5/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t67?,68?,69?,70-,71-,72-/m1/s1",XXSBBYDNTDJHKL,OOFDKKDGSA,N,CL(i-14:0/a-13:0/a-15:0/a-25:0)[rac],XXSBBYDNTDJHKL-OOFDKKDGSA-N
HMDB90840,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C76H148O17P2/c1-9-68(7)54-46-38-30-21-19-17-15-13-11-12-14-16-18-20-22-34-42-50-58-75(80)92-71(62-87-74(79)57-49-41-33-26-24-31-39-47-55-69(8)10-2)64-90-94(82,83)88-60-70(77)61-89-95(84,85)91-65-72(93-76(81)59-51-43-35-27-29-37-45-53-67(5)6)63-86-73(78)56-48-40-32-25-23-28-36-44-52-66(3)4/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t68?,69?,70-,71-,72-/m1/s1",OSQKQDWETUMBJZ,FRCMSDPSSA,N,CL(i-14:0/i-13:0/a-15:0/a-25:0)[rac],OSQKQDWETUMBJZ-FRCMSDPSSA-N
HMDB90841,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C76H148O17P2/c1-9-69(8)55-47-39-31-22-18-16-14-12-10-11-13-15-17-19-23-34-42-50-58-75(80)92-71(62-86-73(78)56-48-40-32-24-20-21-28-36-44-52-66(2)3)64-90-94(82,83)88-60-70(77)61-89-95(84,85)91-65-72(93-76(81)59-51-43-35-27-30-38-46-54-68(6)7)63-87-74(79)57-49-41-33-26-25-29-37-45-53-67(4)5/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t69?,70-,71-,72-/m1/s1",HOOFZRYKFFLRPS,YCAWCNGLSA,N,CL(i-14:0/i-13:0/i-15:0/a-25:0)[rac],HOOFZRYKFFLRPS-YCAWCNGLSA-N
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HMDB90932,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-9-67(8)53-45-37-29-20-17-18-21-30-38-46-54-71(76)84-60-69(90-73(78)56-48-40-32-22-16-14-12-10-11-13-15-19-26-34-42-50-64(2)3)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(91-74(79)57-49-41-33-25-28-36-44-52-66(6)7)61-85-72(77)55-47-39-31-24-23-27-35-43-51-65(4)5/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t67?,68-,69-,70-/m1/s1",AJUQQHDSUUFVNW,GUERLEBKSA,N,CL(i-14:0/i-13:0/a-17:0/i-21:0)[rac],AJUQQHDSUUFVNW-GUERLEBKSA-N
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HMDB91381,1254.862676658,C66H128O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C66H128O17P2/c1-56(2)42-34-26-18-11-9-10-12-22-30-38-46-63(68)76-53-62(83-66(71)49-41-33-25-17-21-29-37-45-59(7)8)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(82-65(70)48-40-32-24-16-14-20-28-36-44-58(5)6)52-77-64(69)47-39-31-23-15-13-19-27-35-43-57(3)4/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t60-,61+,62+/m0/s1",DUSRCDOTFBZQMI,ZOUCRUKKSA,N,CL(i-14:0/i-14:0/i-16:0/i-13:0),DUSRCDOTFBZQMI-ZOUCRUKKSA-N
HMDB91382,1254.862676658,C66H128O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-24-25-33-41-49-66(71)83-62(53-76-63(68)46-38-30-21-13-11-10-12-18-26-34-42-56(2)3)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(82-65(70)48-40-32-23-17-15-20-28-36-44-58(6)7)52-77-64(69)47-39-31-22-16-14-19-27-35-43-57(4)5/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61+,62+/m0/s1",ZAMNNBXRYJSESX,PWWXFYBZSA,N,CL(i-14:0/i-14:0/i-16:0/a-13:0)[rac],ZAMNNBXRYJSESX-PWWXFYBZSA-N
HMDB91383,1268.878326722,C67H130O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C67H130O17P2/c1-57(2)43-35-27-19-11-9-10-12-23-31-39-47-64(69)77-53-62(83-66(71)49-41-33-25-17-14-21-29-37-45-59(5)6)55-81-85(73,74)79-51-61(68)52-80-86(75,76)82-56-63(84-67(72)50-42-34-26-18-15-22-30-38-46-60(7)8)54-78-65(70)48-40-32-24-16-13-20-28-36-44-58(3)4/h57-63,68H,9-56H2,1-8H3,(H,73,74)(H,75,76)/t61-,62-,63-/m1/s1",OHUDJGSYQVTGLH,PCIYNCTBSA,N,CL(i-14:0/i-14:0/i-16:0/i-14:0),OHUDJGSYQVTGLH-PCIYNCTBSA-N
HMDB91384,1282.893976786,C68H132O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C68H132O17P2/c1-58(2)44-36-28-20-12-9-10-14-24-32-40-48-65(70)78-54-63(84-67(72)50-42-34-26-15-11-13-21-29-37-45-59(3)4)56-82-86(74,75)80-52-62(69)53-81-87(76,77)83-57-64(85-68(73)51-43-35-27-19-17-23-31-39-47-61(7)8)55-79-66(71)49-41-33-25-18-16-22-30-38-46-60(5)6/h58-64,69H,9-57H2,1-8H3,(H,74,75)(H,76,77)/t62-,63-,64-/m1/s1",GODGXXQVJXAYTA,IIVRGTDNSA,N,CL(i-14:0/i-14:0/i-16:0/i-15:0),GODGXXQVJXAYTA-IIVRGTDNSA-N
HMDB91385,1282.893976786,C68H132O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C68H132O17P2/c1-9-61(8)47-39-31-23-16-19-27-35-43-51-68(73)85-63(54-78-65(70)48-40-32-24-13-11-10-12-20-28-36-44-58(2)3)56-82-86(74,75)80-52-62(69)53-81-87(76,77)83-57-64(84-67(72)50-42-34-26-18-15-22-30-38-46-60(6)7)55-79-66(71)49-41-33-25-17-14-21-29-37-45-59(4)5/h58-64,69H,9-57H2,1-8H3,(H,74,75)(H,76,77)/t61?,62-,63-,64-/m1/s1",HMKMNSPXIQSKLL,QFLSEQQCSA,N,CL(i-14:0/i-14:0/i-16:0/a-15:0)[rac],HMKMNSPXIQSKLL-QFLSEQQCSA-N
HMDB91386,1296.909626851,C69H134O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C69H134O17P2/c1-59(2)45-37-29-21-13-9-11-15-25-33-41-49-66(71)79-55-64(85-68(73)51-43-35-27-16-12-10-14-22-30-38-46-60(3)4)57-83-87(75,76)81-53-63(70)54-82-88(77,78)84-58-65(86-69(74)52-44-36-28-20-18-24-32-40-48-62(7)8)56-80-67(72)50-42-34-26-19-17-23-31-39-47-61(5)6/h59-65,70H,9-58H2,1-8H3,(H,75,76)(H,77,78)/t63-,64-,65-/m1/s1",YEHKSDSMKZABRN,OYOCQJCHSA,N,CL(i-14:0/i-14:0/i-16:0/i-16:0),YEHKSDSMKZABRN-OYOCQJCHSA-N
HMDB91387,1310.925276915,C70H136O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C70H136O17P2/c1-60(2)46-38-30-22-14-10-9-11-17-28-36-44-52-69(74)86-65(56-80-67(72)50-42-34-26-16-13-12-15-23-31-39-47-61(3)4)58-84-88(76,77)82-54-64(71)55-83-89(78,79)85-59-66(87-70(75)53-45-37-29-21-19-25-33-41-49-63(7)8)57-81-68(73)51-43-35-27-20-18-24-32-40-48-62(5)6/h60-66,71H,9-59H2,1-8H3,(H,76,77)(H,78,79)/t64-,65-,66-/m1/s1",RIGQQKAYRNOGQD,GLFGWPNBSA,N,CL(i-14:0/i-14:0/i-16:0/i-17:0),RIGQQKAYRNOGQD-GLFGWPNBSA-N
HMDB91388,1310.925276915,C70H136O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C70H136O17P2/c1-9-63(8)49-41-33-25-15-11-13-17-28-36-44-52-69(74)86-65(56-80-67(72)50-42-34-26-16-12-10-14-22-30-38-46-60(2)3)58-84-88(76,77)82-54-64(71)55-83-89(78,79)85-59-66(87-70(75)53-45-37-29-21-19-24-32-40-48-62(6)7)57-81-68(73)51-43-35-27-20-18-23-31-39-47-61(4)5/h60-66,71H,9-59H2,1-8H3,(H,76,77)(H,78,79)/t63?,64-,65-,66-/m1/s1",OJVBCRWYCSQDAT,DNPRRJKTSA,N,CL(i-14:0/i-14:0/i-16:0/a-17:0)[rac],OJVBCRWYCSQDAT-DNPRRJKTSA-N
HMDB91389,1320.909626851,C71H134O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C71H134O17P2/c1-8-9-10-11-12-13-14-15-16-17-18-23-33-40-47-54-70(75)87-66(58-81-68(73)52-45-38-31-22-20-19-21-28-35-42-49-62(2)3)60-85-89(77,78)83-56-65(72)57-84-90(79,80)86-61-67(88-71(76)55-48-41-34-27-25-30-37-44-51-64(6)7)59-82-69(74)53-46-39-32-26-24-29-36-43-50-63(4)5/h13-16,62-67,72H,8-12,17-61H2,1-7H3,(H,77,78)(H,79,80)/b14-13-,16-15-/t65-,66-,67-/m1/s1",QJKKDLXVOXIHCN,PXCASVPOSA,N,"CL(i-14:0/i-14:0/i-16:0/18:2(9Z,11Z))",QJKKDLXVOXIHCN-PXCASVPOSA-N
HMDB91390,1324.94092698,C71H138O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C71H138O17P2/c1-61(2)47-39-31-23-15-11-9-10-12-18-29-37-45-53-70(75)87-66(57-81-68(73)51-43-35-27-17-14-13-16-24-32-40-48-62(3)4)59-85-89(77,78)83-55-65(72)56-84-90(79,80)86-60-67(88-71(76)54-46-38-30-22-20-26-34-42-50-64(7)8)58-82-69(74)52-44-36-28-21-19-25-33-41-49-63(5)6/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t65-,66-,67-/m1/s1",UXXWGAGNVDEAIR,WWKUUFCESA,N,CL(i-14:0/i-14:0/i-16:0/i-18:0),UXXWGAGNVDEAIR-WWKUUFCESA-N
HMDB91391,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-62(2)48-40-32-24-16-12-10-9-11-13-19-30-38-46-54-71(76)88-67(58-82-69(74)52-44-36-28-18-15-14-17-25-33-41-49-63(3)4)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(89-72(77)55-47-39-31-23-21-27-35-43-51-65(7)8)59-83-70(75)53-45-37-29-22-20-26-34-42-50-64(5)6/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t66-,67-,68-/m1/s1",NNELLIDIPRWMIW,ODOYRBSSSA,N,CL(i-14:0/i-14:0/i-16:0/i-19:0),NNELLIDIPRWMIW-ODOYRBSSSA-N
HMDB91392,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-63(2)49-41-33-25-17-13-11-9-10-12-14-20-31-39-47-55-72(77)89-68(59-83-70(75)53-45-37-29-19-16-15-18-26-34-42-50-64(3)4)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(90-73(78)56-48-40-32-24-22-28-36-44-52-66(7)8)60-84-71(76)54-46-38-30-23-21-27-35-43-51-65(5)6/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t67-,68-,69-/m1/s1",CAZORXDPGOYHGK,SHBPMHELSA,N,CL(i-14:0/i-14:0/i-16:0/i-20:0),CAZORXDPGOYHGK-SHBPMHELSA-N
HMDB91393,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-64(2)50-42-34-26-18-14-12-10-9-11-13-15-21-32-40-48-56-73(78)90-69(60-84-71(76)54-46-38-30-20-17-16-19-27-35-43-51-65(3)4)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(91-74(79)57-49-41-33-25-23-29-37-45-53-67(7)8)61-85-72(77)55-47-39-31-24-22-28-36-44-52-66(5)6/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t68-,69-,70-/m1/s1",ZBXYRJANEVSXIE,CRUFNAILSA,N,CL(i-14:0/i-14:0/i-16:0/i-21:0),ZBXYRJANEVSXIE-CRUFNAILSA-N
HMDB91394,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-9-67(8)53-45-37-29-19-14-12-10-11-13-15-21-32-40-48-56-73(78)90-69(60-84-71(76)54-46-38-30-20-17-16-18-26-34-42-50-64(2)3)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(91-74(79)57-49-41-33-25-23-28-36-44-52-66(6)7)61-85-72(77)55-47-39-31-24-22-27-35-43-51-65(4)5/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t67?,68-,69-,70-/m1/s1",ALLNIKCDZRZQHP,GUERLEBKSA,N,CL(i-14:0/i-14:0/i-16:0/a-21:0)[rac],ALLNIKCDZRZQHP-GUERLEBKSA-N
HMDB91395,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-65(2)51-43-35-27-19-15-13-11-9-10-12-14-16-22-33-41-49-57-74(79)91-70(61-85-72(77)55-47-39-31-21-18-17-20-28-36-44-52-66(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(92-75(80)58-50-42-34-26-24-30-38-46-54-68(7)8)62-86-73(78)56-48-40-32-25-23-29-37-45-53-67(5)6/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t69-,70-,71-/m1/s1",JTIYWJOVHJGAGA,UMRXOVFLSA,N,CL(i-14:0/i-14:0/i-16:0/i-22:0),JTIYWJOVHJGAGA-UMRXOVFLSA-N
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HMDB91988,1465.097427624,C81H158O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C81H158O17P2/c1-9-74(8)60-52-44-36-27-21-16-14-12-10-11-13-15-17-23-29-39-47-55-63-80(85)97-76(67-91-78(83)61-53-45-37-28-22-19-18-20-25-33-41-49-57-71(2)3)69-95-99(87,88)93-65-75(82)66-94-100(89,90)96-70-77(68-92-79(84)62-54-46-38-32-31-35-43-51-59-73(6)7)98-81(86)64-56-48-40-30-24-26-34-42-50-58-72(4)5/h71-77,82H,9-70H2,1-8H3,(H,87,88)(H,89,90)/t74?,75-,76-,77-/m1/s1",XASCMINSHRXWLJ,DTBNHAQUSA,N,CL(i-14:0/i-15:0/i-18:0/a-25:0)[rac],XASCMINSHRXWLJ-DTBNHAQUSA-N
HMDB91989,1296.909626851,C69H134O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C69H134O17P2/c1-59(2)45-37-29-21-15-12-10-9-11-13-17-24-33-41-49-66(71)79-56-65(86-69(74)52-44-36-28-27-32-40-48-62(7)8)58-84-88(77,78)82-54-63(70)53-81-87(75,76)83-57-64(55-80-67(72)50-42-34-25-20-19-23-31-39-47-61(5)6)85-68(73)51-43-35-26-18-14-16-22-30-38-46-60(3)4/h59-65,70H,9-58H2,1-8H3,(H,75,76)(H,77,78)/t63-,64+,65+/m0/s1",VUSRASDMWNAGRH,MGSXVFSVSA,N,CL(i-14:0/i-15:0/i-19:0/i-12:0),VUSRASDMWNAGRH-MGSXVFSVSA-N
HMDB91990,1296.909626851,C69H134O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C69H134O17P2/c1-9-62(8)48-40-32-23-18-20-26-35-43-51-68(73)85-64(55-80-67(72)50-42-34-25-19-17-22-30-38-46-60(4)5)57-83-87(75,76)81-53-63(70)54-82-88(77,78)84-58-65(86-69(74)52-44-36-28-27-31-39-47-61(6)7)56-79-66(71)49-41-33-24-16-14-12-10-11-13-15-21-29-37-45-59(2)3/h59-65,70H,9-58H2,1-8H3,(H,75,76)(H,77,78)/t62?,63-,64+,65+/m0/s1",ZIRCAQIQMRWFDP,PJJXRTPTSA,N,CL(i-14:0/a-15:0/i-19:0/i-12:0)[rac],ZIRCAQIQMRWFDP-PJJXRTPTSA-N
HMDB91991,1310.925276915,C70H136O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C70H136O17P2/c1-9-62(7)48-40-32-24-19-21-27-36-44-52-69(74)86-65(56-81-68(73)51-43-35-26-20-18-23-31-39-47-61(5)6)58-84-88(76,77)82-54-64(71)55-83-89(78,79)85-59-66(87-70(75)53-45-37-29-28-33-41-49-63(8)10-2)57-80-67(72)50-42-34-25-17-15-13-11-12-14-16-22-30-38-46-60(3)4/h60-66,71H,9-59H2,1-8H3,(H,76,77)(H,78,79)/t62?,63?,64-,65+,66+/m0/s1",TYPVKFZLEXNUOW,RDNBTWMMSA,N,CL(i-14:0/a-15:0/i-19:0/a-13:0)[rac],TYPVKFZLEXNUOW-RDNBTWMMSA-N
HMDB91992,1310.925276915,C70H136O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C70H136O17P2/c1-60(2)46-38-30-22-15-12-10-9-11-13-17-26-34-42-50-67(72)80-57-66(87-70(75)53-45-37-29-21-25-33-41-49-63(7)8)59-85-89(78,79)83-55-64(71)54-82-88(76,77)84-58-65(56-81-68(73)51-43-35-27-20-19-24-32-40-48-62(5)6)86-69(74)52-44-36-28-18-14-16-23-31-39-47-61(3)4/h60-66,71H,9-59H2,1-8H3,(H,76,77)(H,78,79)/t64-,65+,66+/m0/s1",OTYKVVFJNINLCU,GLCCOQBGSA,N,CL(i-14:0/i-15:0/i-19:0/i-13:0),OTYKVVFJNINLCU-GLCCOQBGSA-N
HMDB91993,1310.925276915,C70H136O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C70H136O17P2/c1-9-63(8)49-41-33-25-18-20-28-36-44-52-69(74)86-65(56-81-68(73)51-43-35-27-19-17-23-31-39-47-61(4)5)58-84-88(76,77)82-54-64(71)55-83-89(78,79)85-59-66(87-70(75)53-45-37-29-21-24-32-40-48-62(6)7)57-80-67(72)50-42-34-26-16-14-12-10-11-13-15-22-30-38-46-60(2)3/h60-66,71H,9-59H2,1-8H3,(H,76,77)(H,78,79)/t63?,64-,65+,66+/m0/s1",VFQQPMTXLNJQIN,ZTOXKGDWSA,N,CL(i-14:0/a-15:0/i-19:0/i-13:0)[rac],VFQQPMTXLNJQIN-ZTOXKGDWSA-N
HMDB91994,1310.925276915,C70H136O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C70H136O17P2/c1-9-63(8)49-41-33-28-29-37-45-53-70(75)87-66(57-80-67(72)50-42-34-25-18-14-12-10-11-13-16-22-30-38-46-60(2)3)59-85-89(78,79)83-55-64(71)54-82-88(76,77)84-58-65(56-81-68(73)51-43-35-26-21-20-24-32-40-48-62(6)7)86-69(74)52-44-36-27-19-15-17-23-31-39-47-61(4)5/h60-66,71H,9-59H2,1-8H3,(H,76,77)(H,78,79)/t63?,64-,65+,66+/m0/s1",LNNSYKQUWMRACV,ZTOXKGDWSA,N,CL(i-14:0/i-15:0/i-19:0/a-13:0)[rac],LNNSYKQUWMRACV-ZTOXKGDWSA-N
HMDB91995,1324.94092698,C71H138O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C71H138O17P2/c1-61(2)47-39-31-23-15-12-10-9-11-13-17-27-35-43-51-68(73)81-57-67(88-71(76)54-46-38-30-22-20-26-34-42-50-64(7)8)60-86-90(79,80)84-56-65(72)55-83-89(77,78)85-59-66(58-82-69(74)52-44-36-28-21-19-25-33-41-49-63(5)6)87-70(75)53-45-37-29-18-14-16-24-32-40-48-62(3)4/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t65-,66+,67+/m0/s1",MVSLWWIFEISWKU,OHKZLATASA,N,CL(i-14:0/i-15:0/i-19:0/i-14:0),MVSLWWIFEISWKU-OHKZLATASA-N
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HMDB91997,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-64(7)50-42-34-26-19-22-30-38-46-54-71(76)88-67(58-82-69(74)52-44-36-28-17-15-13-11-12-14-16-24-32-40-48-62(3)4)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-29-21-18-25-33-41-49-63(5)6)89-72(77)55-47-39-31-23-20-27-35-43-51-65(8)10-2/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t64?,65?,66-,67-,68-/m1/s1",XCQZBZCXKZIUOT,IZFXDSFASA,N,CL(i-14:0/a-15:0/i-19:0/a-15:0)[rac],XCQZBZCXKZIUOT-IZFXDSFASA-N
HMDB91998,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C72H140O17P2/c1-62(2)48-40-32-24-16-12-10-9-11-13-19-28-36-44-52-69(74)82-58-67(88-71(76)54-46-38-30-20-14-17-25-33-41-49-63(3)4)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(59-83-70(75)53-45-37-29-23-22-27-35-43-51-65(7)8)89-72(77)55-47-39-31-21-15-18-26-34-42-50-64(5)6/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t66-,67-,68-/m1/s1",USRTTYZEZLVWCF,ODOYRBSSSA,N,CL(i-14:0/i-15:0/i-19:0/i-15:0),USRTTYZEZLVWCF-ODOYRBSSSA-N
HMDB91999,1338.956577044,C72H140O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-27-21-23-31-39-47-55-72(77)89-68(59-83-70(75)53-45-37-29-22-20-26-34-42-50-64(6)7)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(88-71(76)54-46-38-30-19-15-17-25-33-41-49-63(4)5)58-82-69(74)52-44-36-28-18-14-12-10-11-13-16-24-32-40-48-62(2)3/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1",MNPQICLXJWMDGA,CNXFOIRDSA,N,CL(i-14:0/a-15:0/i-19:0/i-15:0)[rac],MNPQICLXJWMDGA-CNXFOIRDSA-N
HMDB92000,1338.956577044,C72H140O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-27-21-23-31-39-47-55-72(77)89-68(58-82-69(74)52-44-36-28-18-14-12-10-11-13-16-24-32-40-48-62(2)3)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(59-83-70(75)53-45-37-29-22-20-26-34-42-50-64(6)7)88-71(76)54-46-38-30-19-15-17-25-33-41-49-63(4)5/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67+,68+/m0/s1",ZRMJYCVQFAIHIG,QRMKGNPZSA,N,CL(i-14:0/i-15:0/i-19:0/a-15:0)[rac],ZRMJYCVQFAIHIG-QRMKGNPZSA-N
HMDB92001,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C73H142O17P2/c1-63(2)49-41-33-25-17-12-10-9-11-13-20-29-37-45-53-70(75)83-59-68(89-72(77)55-47-39-31-21-15-14-18-26-34-42-50-64(3)4)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-30-24-23-28-36-44-52-66(7)8)90-73(78)56-48-40-32-22-16-19-27-35-43-51-65(5)6/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t67-,68-,69-/m1/s1",HKIAGYGDRNCCJB,SHBPMHELSA,N,CL(i-14:0/i-15:0/i-19:0/i-16:0),HKIAGYGDRNCCJB-SHBPMHELSA-N
HMDB92002,1352.972227108,C73H142O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-28-22-24-32-40-48-56-73(78)90-69(60-84-71(76)54-46-38-30-23-21-27-35-43-51-65(6)7)62-88-92(81,82)86-58-67(74)57-85-91(79,80)87-61-68(89-72(77)55-47-39-31-20-16-15-18-26-34-42-50-64(4)5)59-83-70(75)53-45-37-29-19-14-12-10-11-13-17-25-33-41-49-63(2)3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1",AWWDUTXTFQSOEY,VZZKVGHUSA,N,CL(i-14:0/a-15:0/i-19:0/i-16:0)[rac],AWWDUTXTFQSOEY-VZZKVGHUSA-N
HMDB92003,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C74H144O17P2/c1-9-66(7)52-44-36-28-19-16-17-21-32-40-48-56-73(78)90-69(60-84-71(76)54-46-38-30-20-15-13-11-12-14-18-26-34-42-50-64(3)4)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-31-24-22-27-35-43-51-65(5)6)91-74(79)57-49-41-33-25-23-29-37-45-53-67(8)10-2/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t66?,67?,68-,69-,70-/m1/s1",SKCFPFCZWKETEX,NDUGWDHISA,N,CL(i-14:0/a-15:0/i-19:0/a-17:0)[rac],SKCFPFCZWKETEX-NDUGWDHISA-N
HMDB92004,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-64(2)50-42-34-26-18-13-10-9-11-15-21-30-38-46-54-71(76)84-60-69(90-73(78)56-48-40-32-22-16-12-14-19-27-35-43-51-65(3)4)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-31-25-24-29-37-45-53-67(7)8)91-74(79)57-49-41-33-23-17-20-28-36-44-52-66(5)6/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t68-,69-,70-/m1/s1",OKLZFSJGBMDIOJ,CRUFNAILSA,N,CL(i-14:0/i-15:0/i-19:0/i-17:0),OKLZFSJGBMDIOJ-CRUFNAILSA-N
HMDB92005,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C74H144O17P2/c1-9-67(8)53-45-37-29-23-25-33-41-49-57-74(79)91-70(61-85-72(77)55-47-39-31-24-22-28-36-44-52-66(6)7)63-89-93(82,83)87-59-68(75)58-86-92(80,81)88-62-69(90-73(78)56-48-40-32-21-17-13-15-19-27-35-43-51-65(4)5)60-84-71(76)54-46-38-30-20-16-12-10-11-14-18-26-34-42-50-64(2)3/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t67?,68-,69-,70-/m1/s1",WUHFOMWFYCTYBY,GUERLEBKSA,N,CL(i-14:0/a-15:0/i-19:0/i-17:0)[rac],WUHFOMWFYCTYBY-GUERLEBKSA-N
HMDB92006,1366.987877173,C74H144O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C74H144O17P2/c1-9-67(8)53-45-37-29-20-15-16-22-32-40-48-56-73(78)90-69(60-84-71(76)54-46-38-30-21-14-12-10-11-13-18-26-34-42-50-64(2)3)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-31-25-24-28-36-44-52-66(6)7)91-74(79)57-49-41-33-23-17-19-27-35-43-51-65(4)5/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t67?,68-,69-,70-/m1/s1",LYCJSGPPCWXQLP,GUERLEBKSA,N,CL(i-14:0/i-15:0/i-19:0/a-17:0)[rac],LYCJSGPPCWXQLP-GUERLEBKSA-N
HMDB92007,1376.972227108,C75H142O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C75H142O17P2/c1-8-9-10-11-12-13-14-15-16-19-23-28-37-44-51-58-74(79)91-70(62-85-72(77)56-49-42-35-27-22-20-17-18-21-25-32-39-46-53-66(2)3)64-89-93(81,82)87-60-69(76)61-88-94(83,84)90-65-71(63-86-73(78)57-50-43-36-31-30-34-41-48-55-68(6)7)92-75(80)59-52-45-38-29-24-26-33-40-47-54-67(4)5/h13-16,66-71,76H,8-12,17-65H2,1-7H3,(H,81,82)(H,83,84)/b14-13-,16-15-/t69-,70-,71-/m1/s1",BQPLPRNCOKXSKK,VNPXZKFPSA,N,"CL(i-14:0/i-15:0/i-19:0/18:2(9Z,11Z))",BQPLPRNCOKXSKK-VNPXZKFPSA-N
HMDB92008,1376.972227108,C75H142O17P2,[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC\C=C/C=C\CCCCCC,"InChI=1S/C75H142O17P2/c1-8-10-11-12-13-14-15-16-17-20-24-27-37-44-51-58-74(79)91-70(62-85-72(77)56-49-42-35-26-23-21-18-19-22-25-32-39-46-53-66(3)4)64-89-93(81,82)87-60-69(76)61-88-94(83,84)90-65-71(63-86-73(78)57-50-43-36-30-28-33-40-47-54-67(5)6)92-75(80)59-52-45-38-31-29-34-41-48-55-68(7)9-2/h14-17,66-71,76H,8-13,18-65H2,1-7H3,(H,81,82)(H,83,84)/b15-14-,17-16-/t68?,69-,70-,71-/m1/s1",PDOCFRQANFCSOP,VGXFTEJOSA,N,"CL(i-14:0/a-15:0/i-19:0/18:2(9Z,11Z))[rac]",PDOCFRQANFCSOP-VGXFTEJOSA-N
HMDB92009,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C75H146O17P2/c1-65(2)51-43-35-27-19-14-10-9-11-16-22-31-39-47-55-72(77)85-61-70(91-74(79)57-49-41-33-23-17-13-12-15-20-28-36-44-52-66(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-32-26-25-30-38-46-54-68(7)8)92-75(80)58-50-42-34-24-18-21-29-37-45-53-67(5)6/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t69-,70-,71-/m1/s1",NEFDIAPLLUIHAS,UMRXOVFLSA,N,CL(i-14:0/i-15:0/i-19:0/i-18:0),NEFDIAPLLUIHAS-UMRXOVFLSA-N
HMDB92010,1381.003527237,C75H146O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C75H146O17P2/c1-9-68(8)54-46-38-30-24-26-34-42-50-58-75(80)92-71(62-86-73(78)56-48-40-32-25-23-29-37-45-53-67(6)7)64-90-94(83,84)88-60-69(76)59-87-93(81,82)89-63-70(91-74(79)57-49-41-33-22-18-14-13-16-20-28-36-44-52-66(4)5)61-85-72(77)55-47-39-31-21-17-12-10-11-15-19-27-35-43-51-65(2)3/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t68?,69-,70-,71-/m1/s1",BCLCJPVAAXTYSG,VJMMPQDESA,N,CL(i-14:0/a-15:0/i-19:0/i-18:0)[rac],BCLCJPVAAXTYSG-VJMMPQDESA-N
HMDB92011,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C76H148O17P2/c1-66(2)52-44-36-28-20-15-11-9-13-17-23-32-40-48-56-73(78)86-62-71(92-75(80)58-50-42-34-24-18-14-10-12-16-21-29-37-45-53-67(3)4)64-90-94(82,83)88-60-70(77)61-89-95(84,85)91-65-72(63-87-74(79)57-49-41-33-27-26-31-39-47-55-69(7)8)93-76(81)59-51-43-35-25-19-22-30-38-46-54-68(5)6/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t70-,71-,72-/m1/s1",UHTBUNWZOWUHES,WMPNXZGESA,N,CL(i-14:0/i-15:0/i-19:0/i-19:0),UHTBUNWZOWUHES-WMPNXZGESA-N
HMDB92012,1395.019177302,C76H148O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C76H148O17P2/c1-9-69(8)55-47-39-31-25-27-35-43-51-59-76(81)93-72(63-87-74(79)57-49-41-33-26-24-30-38-46-54-68(6)7)65-91-95(84,85)89-61-70(77)60-88-94(82,83)90-64-71(92-75(80)58-50-42-34-23-19-15-11-13-17-21-29-37-45-53-67(4)5)62-86-73(78)56-48-40-32-22-18-14-10-12-16-20-28-36-44-52-66(2)3/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t69?,70-,71-,72-/m1/s1",RAGXCLFJFAQUNT,YCAWCNGLSA,N,CL(i-14:0/a-15:0/i-19:0/i-19:0)[rac],RAGXCLFJFAQUNT-YCAWCNGLSA-N
HMDB92013,1409.034827366,C77H150O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C77H150O17P2/c1-67(2)53-45-37-29-21-16-12-9-10-14-19-25-35-43-51-59-76(81)93-72(63-87-74(79)57-49-41-33-24-18-15-11-13-17-22-30-38-46-54-68(3)4)65-91-95(83,84)89-61-71(78)62-90-96(85,86)92-66-73(64-88-75(80)58-50-42-34-28-27-32-40-48-56-70(7)8)94-77(82)60-52-44-36-26-20-23-31-39-47-55-69(5)6/h67-73,78H,9-66H2,1-8H3,(H,83,84)(H,85,86)/t71-,72-,73-/m1/s1",AICDZXCNUJLQGF,SQYJZSJHSA,N,CL(i-14:0/i-15:0/i-19:0/i-20:0),AICDZXCNUJLQGF-SQYJZSJHSA-N
HMDB92014,1409.034827366,C77H150O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C77H150O17P2/c1-9-70(8)56-48-40-32-26-28-36-44-52-60-77(82)94-73(64-88-75(80)58-50-42-34-27-25-31-39-47-55-69(6)7)66-92-96(85,86)90-62-71(78)61-89-95(83,84)91-65-72(63-87-74(79)57-49-41-33-23-19-16-12-14-18-22-30-38-46-54-68(4)5)93-76(81)59-51-43-35-24-20-15-11-10-13-17-21-29-37-45-53-67(2)3/h67-73,78H,9-66H2,1-8H3,(H,83,84)(H,85,86)/t70?,71-,72-,73-/m1/s1",LJGHLJZXKDHACT,JBVOCFLYSA,N,CL(i-14:0/a-15:0/i-19:0/i-20:0)[rac],LJGHLJZXKDHACT-JBVOCFLYSA-N
HMDB92015,1423.05047743,C78H152O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C78H152O17P2/c1-9-70(7)56-48-40-32-23-19-15-11-12-16-21-25-36-44-52-60-77(82)94-73(64-88-75(80)58-50-42-34-24-20-17-13-14-18-22-30-38-46-54-68(3)4)66-92-96(84,85)90-62-72(79)63-91-97(86,87)93-67-74(65-89-76(81)59-51-43-35-28-26-31-39-47-55-69(5)6)95-78(83)61-53-45-37-29-27-33-41-49-57-71(8)10-2/h68-74,79H,9-67H2,1-8H3,(H,84,85)(H,86,87)/t70?,71?,72-,73-,74-/m1/s1",ADNHBUZAVIAUHG,OPOWQSLMSA,N,CL(i-14:0/a-15:0/i-19:0/a-21:0)[rac],ADNHBUZAVIAUHG-OPOWQSLMSA-N
HMDB92016,1423.05047743,C78H152O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C78H152O17P2/c1-68(2)54-46-38-30-22-17-13-10-9-11-15-20-26-36-44-52-60-77(82)94-73(64-88-75(80)58-50-42-34-25-19-16-12-14-18-23-31-39-47-55-69(3)4)66-92-96(84,85)90-62-72(79)63-91-97(86,87)93-67-74(65-89-76(81)59-51-43-35-29-28-33-41-49-57-71(7)8)95-78(83)61-53-45-37-27-21-24-32-40-48-56-70(5)6/h68-74,79H,9-67H2,1-8H3,(H,84,85)(H,86,87)/t72-,73-,74-/m1/s1",PBDHRYODEFYMHG,FXCIZWNUSA,N,CL(i-14:0/i-15:0/i-19:0/i-21:0),PBDHRYODEFYMHG-FXCIZWNUSA-N
HMDB92017,1423.05047743,C78H152O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C78H152O17P2/c1-9-71(8)57-49-41-33-27-29-37-45-53-61-78(83)95-74(65-89-76(81)59-51-43-35-28-26-32-40-48-56-70(6)7)67-93-97(86,87)91-63-72(79)62-90-96(84,85)92-66-73(64-88-75(80)58-50-42-34-24-20-17-13-15-19-23-31-39-47-55-69(4)5)94-77(82)60-52-44-36-25-21-16-12-10-11-14-18-22-30-38-46-54-68(2)3/h68-74,79H,9-67H2,1-8H3,(H,84,85)(H,86,87)/t71?,72-,73-,74-/m1/s1",HJIDNLYSELEJOJ,XMCIFKCVSA,N,CL(i-14:0/a-15:0/i-19:0/i-21:0)[rac],HJIDNLYSELEJOJ-XMCIFKCVSA-N
HMDB92018,1423.05047743,C78H152O17P2,[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C78H152O17P2/c1-9-71(8)57-49-41-33-24-18-14-10-11-15-20-26-36-44-52-60-77(82)94-73(64-88-75(80)58-50-42-34-25-19-16-12-13-17-22-30-38-46-54-68(2)3)66-92-96(84,85)90-62-72(79)63-91-97(86,87)93-67-74(65-89-76(81)59-51-43-35-29-28-32-40-48-56-70(6)7)95-78(83)61-53-45-37-27-21-23-31-39-47-55-69(4)5/h68-74,79H,9-67H2,1-8H3,(H,84,85)(H,86,87)/t71?,72-,73-,74-/m1/s1",RNUBRLPXUQJTTD,XMCIFKCVSA,N,CL(i-14:0/i-15:0/i-19:0/a-21:0)[rac],RNUBRLPXUQJTTD-XMCIFKCVSA-N
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HMDB93092,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-29(2)23-19-15-11-9-7-5-6-8-10-12-17-21-25-32(35)37-27-31(34)28-38-33(36)26-22-18-14-13-16-20-24-30(3)4/h29-31,34H,5-28H2,1-4H3/t31-/m1/s1",QEVDJYFQPMBIAF,WJOKGBTCSA,N,DG(i-12:0/0:0/i-18:0),QEVDJYFQPMBIAF-WJOKGBTCSA-N
HMDB93093,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-13-17-20-23-26-32(35)37-29-31(28-34)38-33(36)27-24-21-18-15-12-10-9-11-14-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",KBJZQFLRBABLME,WJOKGBTCSA,N,DG(12:0/i-18:0/0:0),KBJZQFLRBABLME-WJOKGBTCSA-N
HMDB93094,540.475375161,C33H64O5,[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-13-17-20-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-15-12-10-9-11-14-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m0/s1",XXRVJXVCBFGEGH,HKBQPEDESA,N,DG(12:0/0:0/i-18:0),XXRVJXVCBFGEGH-HKBQPEDESA-N
HMDB93095,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m1/s1",RGCGPOOGPUNXCH,JGCGQSQUSA,N,DG(12:0/19:0/0:0),RGCGPOOGPUNXCH-JGCGQSQUSA-N
HMDB93096,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-20-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m0/s1",IKEYITQEXHZTFO,YTTGMZPUSA,N,DG(12:0/0:0/19:0),IKEYITQEXHZTFO-YTTGMZPUSA-N
HMDB93097,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-34(37)39-32(29-35)30-38-33(36)27-24-21-19-18-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",PFAHRRWSCQRFFB,JGCGQSQUSA,N,DG(i-12:0/19:0/0:0),PFAHRRWSCQRFFB-JGCGQSQUSA-N
HMDB93098,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-18-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",RUTVLBIFTPWGQQ,JGCGQSQUSA,N,DG(i-12:0/0:0/19:0),RUTVLBIFTPWGQQ-JGCGQSQUSA-N
HMDB93099,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-10-8-6-5-7-9-11-13-19-23-27-34(37)39-32(28-35)29-38-33(36)26-22-18-15-14-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",BQXOMGAXGVYMJG,JGCGQSQUSA,N,DG(i-12:0/i-19:0/0:0),BQXOMGAXGVYMJG-JGCGQSQUSA-N
HMDB93100,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-10-8-6-5-7-9-11-13-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-14-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",FXWRDOMBYZVMHR,JGCGQSQUSA,N,DG(i-12:0/0:0/i-19:0),FXWRDOMBYZVMHR-JGCGQSQUSA-N
HMDB93101,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-14-18-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-16-13-11-9-10-12-15-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",QJPLJPKQDLVDLD,JGCGQSQUSA,N,DG(12:0/i-19:0/0:0),QJPLJPKQDLVDLD-JGCGQSQUSA-N
HMDB93102,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-14-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-13-11-9-10-12-15-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m0/s1",OHJNCUXYIOGQIC,YTTGMZPUSA,N,DG(12:0/0:0/i-19:0),OHJNCUXYIOGQIC-YTTGMZPUSA-N
HMDB93103,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",FPFLGKVHJYXPLJ,MGBGTMOVSA,N,DG(12:0/20:0/0:0),FPFLGKVHJYXPLJ-MGBGTMOVSA-N
HMDB93104,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1",WRAZDLLGTRMPBL,XIFFEERXSA,N,DG(12:0/0:0/20:0),WRAZDLLGTRMPBL-XIFFEERXSA-N
HMDB93105,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-20-19-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",PPKUTWHDCCHMHP,MGBGTMOVSA,N,DG(i-12:0/20:0/0:0),PPKUTWHDCCHMHP-MGBGTMOVSA-N
HMDB93106,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-19-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",KLOWESKCHNOSOH,MGBGTMOVSA,N,DG(i-12:0/0:0/20:0),KLOWESKCHNOSOH-MGBGTMOVSA-N
HMDB93107,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-11-9-7-5-6-8-10-12-14-20-24-28-35(38)40-33(29-36)30-39-34(37)27-23-19-16-15-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",ZJAUEFGFFDPTRA,MGBGTMOVSA,N,DG(i-12:0/i-20:0/0:0),ZJAUEFGFFDPTRA-MGBGTMOVSA-N
HMDB93108,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-11-9-7-5-6-8-10-12-14-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-15-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",WLUOOYCDGNLRAM,MGBGTMOVSA,N,DG(i-12:0/0:0/i-20:0),WLUOOYCDGNLRAM-MGBGTMOVSA-N
HMDB93109,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-15-19-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-17-14-12-10-9-11-13-16-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",FOMPGLUJFMDFHU,MGBGTMOVSA,N,DG(12:0/i-20:0/0:0),FOMPGLUJFMDFHU-MGBGTMOVSA-N
HMDB93110,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-15-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-12-10-9-11-13-16-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1",GYPMFSSFAPLRJF,XIFFEERXSA,N,DG(12:0/0:0/i-20:0),GYPMFSSFAPLRJF-XIFFEERXSA-N
HMDB93111,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1",DSPPAIXHNWKXQB,UUWRZZSWSA,N,DG(12:0/21:0/0:0),DSPPAIXHNWKXQB-UUWRZZSWSA-N
HMDB93112,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m0/s1",VEMKJVCHKYHEHA,UMSFTDKQSA,N,DG(12:0/0:0/21:0),VEMKJVCHKYHEHA-UMSFTDKQSA-N
HMDB93113,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-36(39)41-34(31-37)32-40-35(38)29-26-23-21-20-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",MCCLFZJTFMYLDL,UUWRZZSWSA,N,DG(i-12:0/21:0/0:0),MCCLFZJTFMYLDL-UUWRZZSWSA-N
HMDB93114,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-20-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",PDZZJYWUQRGCPD,UUWRZZSWSA,N,DG(i-12:0/0:0/21:0),PDZZJYWUQRGCPD-UUWRZZSWSA-N
HMDB93115,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-14-12-10-8-6-7-9-11-13-15-21-25-29-36(39)41-34(30-37)31-40-35(38)28-24-20-17-16-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m1/s1",ACVILTTYXRJADE,MUADHRSZSA,N,DG(i-12:0/a-21:0/0:0),ACVILTTYXRJADE-MUADHRSZSA-N
HMDB93116,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-14-12-10-8-6-7-9-11-13-15-20-24-28-35(38)40-30-34(37)31-41-36(39)29-25-21-17-16-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m1/s1",UIURCVOEQCLPNF,MUADHRSZSA,N,DG(i-12:0/0:0/a-21:0),UIURCVOEQCLPNF-MUADHRSZSA-N
HMDB93117,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-12-10-8-6-5-7-9-11-13-15-21-25-29-36(39)41-34(30-37)31-40-35(38)28-24-20-17-16-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m1/s1",GTEPUDMXMYSLHQ,UUWRZZSWSA,N,DG(i-12:0/i-21:0/0:0),GTEPUDMXMYSLHQ-UUWRZZSWSA-N
HMDB93118,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-12-10-8-6-5-7-9-11-13-15-20-24-28-35(38)40-30-34(37)31-41-36(39)29-25-21-17-16-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m1/s1",HJYBICCSZCEBOO,UUWRZZSWSA,N,DG(i-12:0/0:0/i-21:0),HJYBICCSZCEBOO-UUWRZZSWSA-N
HMDB93119,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-16-20-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-18-15-13-11-9-10-12-14-17-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",IAGWYKBKUXBGKX,UUWRZZSWSA,N,DG(12:0/i-21:0/0:0),IAGWYKBKUXBGKX-UUWRZZSWSA-N
HMDB93120,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-16-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-15-13-11-9-10-12-14-17-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m0/s1",OOWAMSJMUOESQR,UMSFTDKQSA,N,DG(12:0/0:0/i-21:0),OOWAMSJMUOESQR-UMSFTDKQSA-N
HMDB93121,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-4-6-7-8-9-16-20-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-18-15-13-11-10-12-14-17-19-22-25-28-33(3)5-2/h33-34,37H,4-32H2,1-3H3/t33?,34-/m1/s1",FIDMLTUZGRVLTF,MUADHRSZSA,N,DG(12:0/a-21:0/0:0),FIDMLTUZGRVLTF-MUADHRSZSA-N
HMDB93122,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-4-6-7-8-9-16-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-15-13-11-10-12-14-17-19-22-25-28-33(3)5-2/h33-34,37H,4-32H2,1-3H3/t33?,34-/m0/s1",VTEVAZOJOHSBRE,DNKZHYAASA,N,DG(12:0/0:0/a-21:0),VTEVAZOJOHSBRE-DNKZHYAASA-N
HMDB93123,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m1/s1",UTGRKYOKBZCAHD,PGUFJCEWSA,N,DG(12:0/22:0/0:0),UTGRKYOKBZCAHD-PGUFJCEWSA-N
HMDB93124,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1",IEJJSOYUAJAAOU,DHUJRADRSA,N,DG(12:0/0:0/22:0),IEJJSOYUAJAAOU-DHUJRADRSA-N
HMDB93125,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-37(40)42-35(32-38)33-41-36(39)30-27-24-22-21-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",BJAROEISLRSOOY,PGUFJCEWSA,N,DG(i-12:0/22:0/0:0),BJAROEISLRSOOY-PGUFJCEWSA-N
HMDB93126,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-21-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",UICAKWYFLSJZDK,PGUFJCEWSA,N,DG(i-12:0/0:0/22:0),UICAKWYFLSJZDK-PGUFJCEWSA-N
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HMDB93228,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C33H64O5/c1-5-30(4)24-20-16-13-14-18-22-26-33(36)38-28-31(34)27-37-32(35)25-21-17-12-10-8-6-7-9-11-15-19-23-29(2)3/h29-31,34H,5-28H2,1-4H3/t30?,31-/m1/s1",FBUBBLYUHCYHCL,NLIBRCFJSA,N,DG(a-13:0/0:0/i-17:0),FBUBBLYUHCYHCL-NLIBRCFJSA-N
HMDB93229,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C33H64O5/c1-5-30(4)24-20-16-12-8-6-7-9-13-18-22-26-33(36)38-31(27-34)28-37-32(35)25-21-17-14-10-11-15-19-23-29(2)3/h29-31,34H,5-28H2,1-4H3/t30?,31-/m1/s1",OEPTYEJGQSAHMR,NLIBRCFJSA,N,DG(i-13:0/a-17:0/0:0),OEPTYEJGQSAHMR-NLIBRCFJSA-N
HMDB93230,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-5-30(4)24-20-16-12-8-6-7-9-13-17-21-25-32(35)37-27-31(34)28-38-33(36)26-22-18-14-10-11-15-19-23-29(2)3/h29-31,34H,5-28H2,1-4H3/t30?,31-/m1/s1",PQHZCUCXACRIFE,NLIBRCFJSA,N,DG(i-13:0/0:0/a-17:0),PQHZCUCXACRIFE-NLIBRCFJSA-N
HMDB93231,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C33H64O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-21-24-27-33(36)38-31(28-34)29-37-32(35)26-23-20-18-17-19-22-25-30(3)5-2/h30-31,34H,4-29H2,1-3H3/t30?,31-/m1/s1",LYHCCILQIJQZPQ,NLIBRCFJSA,N,DG(a-13:0/17:0/0:0),LYHCCILQIJQZPQ-NLIBRCFJSA-N
HMDB93232,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C33H64O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-17-19-22-25-30(3)5-2/h30-31,34H,4-29H2,1-3H3/t30?,31-/m1/s1",CQLGXTBKSUYHAF,NLIBRCFJSA,N,DG(a-13:0/0:0/17:0),CQLGXTBKSUYHAF-NLIBRCFJSA-N
HMDB93233,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-29(2)23-19-15-11-8-6-5-7-9-13-18-22-26-33(36)38-31(27-34)28-37-32(35)25-21-17-14-10-12-16-20-24-30(3)4/h29-31,34H,5-28H2,1-4H3/t31-/m1/s1",MUVYTJLFJTWVBK,WJOKGBTCSA,N,DG(i-13:0/i-17:0/0:0),MUVYTJLFJTWVBK-WJOKGBTCSA-N
HMDB93234,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-29(2)23-19-15-11-8-6-5-7-9-13-17-21-25-32(35)37-27-31(34)28-38-33(36)26-22-18-14-10-12-16-20-24-30(3)4/h29-31,34H,5-28H2,1-4H3/t31-/m1/s1",UVHWJDOWQGFNMG,WJOKGBTCSA,N,DG(i-13:0/0:0/i-17:0),UVHWJDOWQGFNMG-WJOKGBTCSA-N
HMDB93235,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-14-17-20-23-26-32(35)37-29-31(28-34)38-33(36)27-24-21-18-15-12-10-11-13-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",QDBNNQKWLFQJBF,WJOKGBTCSA,N,DG(13:0/i-17:0/0:0),QDBNNQKWLFQJBF-WJOKGBTCSA-N
HMDB93236,540.475375161,C33H64O5,[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-14-17-20-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-15-12-10-11-13-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m0/s1",BEJPRRUKFSFWTK,HKBQPEDESA,N,DG(13:0/0:0/i-17:0),BEJPRRUKFSFWTK-HKBQPEDESA-N
HMDB93237,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C33H64O5/c1-4-6-7-8-9-10-14-17-20-23-26-32(35)37-29-31(28-34)38-33(36)27-24-21-18-15-12-11-13-16-19-22-25-30(3)5-2/h30-31,34H,4-29H2,1-3H3/t30?,31-/m1/s1",VNWCCYPOJAIWCS,NLIBRCFJSA,N,DG(13:0/a-17:0/0:0),VNWCCYPOJAIWCS-NLIBRCFJSA-N
HMDB93238,540.475375161,C33H64O5,[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C33H64O5/c1-4-6-7-8-9-10-14-17-20-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-15-12-11-13-16-19-22-25-30(3)5-2/h30-31,34H,4-29H2,1-3H3/t30?,31-/m0/s1",IINGSBWKJKJSCR,FLDQDSGZSA,N,DG(13:0/0:0/a-17:0),IINGSBWKJKJSCR-FLDQDSGZSA-N
HMDB93239,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C33H64O5/c1-5-29(3)23-19-15-11-9-7-8-10-12-18-22-26-33(36)38-31(27-34)28-37-32(35)25-21-17-14-13-16-20-24-30(4)6-2/h29-31,34H,5-28H2,1-4H3/t29?,30?,31-/m1/s1",GZFKSJPNDFANMG,QMJLEDSTSA,N,DG(a-13:0/a-17:0/0:0),GZFKSJPNDFANMG-QMJLEDSTSA-N
HMDB93240,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C33H64O5/c1-5-29(3)23-19-15-11-9-7-8-10-12-17-21-25-32(35)37-27-31(34)28-38-33(36)26-22-18-14-13-16-20-24-30(4)6-2/h29-31,34H,5-28H2,1-4H3/t29?,30?,31-/m1/s1",XKBCKBMGJKXKPI,QMJLEDSTSA,N,DG(a-13:0/0:0/a-17:0),XKBCKBMGJKXKPI-QMJLEDSTSA-N
HMDB93241,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m1/s1",QFWVKTKJTNQBOH,JGCGQSQUSA,N,DG(13:0/18:0/0:0),QFWVKTKJTNQBOH-JGCGQSQUSA-N
HMDB93242,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-20-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m0/s1",KHAIYECWWBTNAX,YTTGMZPUSA,N,DG(13:0/0:0/18:0),KHAIYECWWBTNAX-YTTGMZPUSA-N
HMDB93243,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-25-28-34(37)39-32(29-35)30-38-33(36)27-24-21-19-16-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",STCIDSUFESORHY,JGCGQSQUSA,N,DG(i-13:0/18:0/0:0),STCIDSUFESORHY-JGCGQSQUSA-N
HMDB93244,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",LMBNUTOGCAEHKI,JGCGQSQUSA,N,DG(i-13:0/0:0/18:0),LMBNUTOGCAEHKI-JGCGQSQUSA-N
HMDB93245,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-5-31(4)25-21-17-14-15-18-22-26-33(36)38-29-32(28-35)39-34(37)27-23-19-13-11-9-7-6-8-10-12-16-20-24-30(2)3/h30-32,35H,5-29H2,1-4H3/t31?,32-/m1/s1",URNOPLMSTYNHEY,IADGFXSZSA,N,DG(a-13:0/i-18:0/0:0),URNOPLMSTYNHEY-IADGFXSZSA-N
HMDB93246,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-5-31(4)25-21-17-14-15-19-23-27-34(37)39-29-32(35)28-38-33(36)26-22-18-13-11-9-7-6-8-10-12-16-20-24-30(2)3/h30-32,35H,5-29H2,1-4H3/t31?,32-/m1/s1",KEJYYPRLISVUBL,IADGFXSZSA,N,DG(a-13:0/0:0/i-18:0),KEJYYPRLISVUBL-IADGFXSZSA-N
HMDB93247,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-34(37)39-32(29-35)30-38-33(36)27-24-21-19-18-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m1/s1",UCIFFAXJDZEDPH,IADGFXSZSA,N,DG(a-13:0/18:0/0:0),UCIFFAXJDZEDPH-IADGFXSZSA-N
HMDB93248,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-18-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m1/s1",WVLQIQYRWNQJBQ,IADGFXSZSA,N,DG(a-13:0/0:0/18:0),WVLQIQYRWNQJBQ-IADGFXSZSA-N
HMDB93249,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-9-7-5-6-8-10-14-19-23-27-34(37)39-32(28-35)29-38-33(36)26-22-18-15-11-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",WWXVBTBBQPXGJP,JGCGQSQUSA,N,DG(i-13:0/i-18:0/0:0),WWXVBTBBQPXGJP-JGCGQSQUSA-N
HMDB93250,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-9-7-5-6-8-10-14-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-11-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",NEAALZMBJMPLCL,JGCGQSQUSA,N,DG(i-13:0/0:0/i-18:0),NEAALZMBJMPLCL-JGCGQSQUSA-N
HMDB93251,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-15-18-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-16-13-11-10-12-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",YZQQDCOKLXIUNE,JGCGQSQUSA,N,DG(13:0/i-18:0/0:0),YZQQDCOKLXIUNE-JGCGQSQUSA-N
HMDB93252,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-15-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-13-11-10-12-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m0/s1",AXSVXCDIDGAJKM,YTTGMZPUSA,N,DG(13:0/0:0/i-18:0),AXSVXCDIDGAJKM-YTTGMZPUSA-N
HMDB93253,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",YQTMVDKIYRAEPR,MGBGTMOVSA,N,DG(13:0/19:0/0:0),YQTMVDKIYRAEPR-MGBGTMOVSA-N
HMDB93254,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1",IORWMNIGNJSVTI,XIFFEERXSA,N,DG(13:0/0:0/19:0),IORWMNIGNJSVTI-XIFFEERXSA-N
HMDB93255,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-20-17-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",LNJXDUQSPIJZGS,MGBGTMOVSA,N,DG(i-13:0/19:0/0:0),LNJXDUQSPIJZGS-MGBGTMOVSA-N
HMDB93256,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",SGNDPONZTCDTQO,MGBGTMOVSA,N,DG(i-13:0/0:0/19:0),SGNDPONZTCDTQO-MGBGTMOVSA-N
HMDB93257,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-15-16-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-14-12-10-8-6-7-9-11-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m1/s1",PPMJHLWHQLIBAP,ZHZZGXISSA,N,DG(a-13:0/i-19:0/0:0),PPMJHLWHQLIBAP-ZHZZGXISSA-N
HMDB93258,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-15-16-20-24-28-35(38)40-30-33(36)29-39-34(37)27-23-19-14-12-10-8-6-7-9-11-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m1/s1",AZOCBGQQTOCOKY,ZHZZGXISSA,N,DG(a-13:0/0:0/i-19:0),AZOCBGQQTOCOKY-ZHZZGXISSA-N
HMDB93259,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-20-19-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m1/s1",MLOCYAPSIGLPPH,ZHZZGXISSA,N,DG(a-13:0/19:0/0:0),MLOCYAPSIGLPPH-ZHZZGXISSA-N
HMDB93260,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-19-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m1/s1",LIUZSDZSQNOICX,ZHZZGXISSA,N,DG(a-13:0/0:0/19:0),LIUZSDZSQNOICX-ZHZZGXISSA-N
HMDB93261,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-10-8-6-5-7-9-11-15-20-24-28-35(38)40-33(29-36)30-39-34(37)27-23-19-16-12-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",LOJHMDAIMIWDQB,MGBGTMOVSA,N,DG(i-13:0/i-19:0/0:0),LOJHMDAIMIWDQB-MGBGTMOVSA-N
HMDB93262,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-10-8-6-5-7-9-11-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",OLFZHWACUWQAAL,MGBGTMOVSA,N,DG(i-13:0/0:0/i-19:0),OLFZHWACUWQAAL-MGBGTMOVSA-N
HMDB93263,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-16-19-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-17-14-12-10-11-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",VNFQSNZHWBUMIS,MGBGTMOVSA,N,DG(13:0/i-19:0/0:0),VNFQSNZHWBUMIS-MGBGTMOVSA-N
HMDB93264,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-12-10-11-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1",SUWQQMNBMNLYJQ,XIFFEERXSA,N,DG(13:0/0:0/i-19:0),SUWQQMNBMNLYJQ-XIFFEERXSA-N
HMDB93265,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1",STOKGDQWQBTZCN,UUWRZZSWSA,N,DG(13:0/20:0/0:0),STOKGDQWQBTZCN-UUWRZZSWSA-N
HMDB93266,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m0/s1",MZENSGMIXWYPRC,UMSFTDKQSA,N,DG(13:0/0:0/20:0),MZENSGMIXWYPRC-UMSFTDKQSA-N
HMDB93267,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-36(39)41-34(31-37)32-40-35(38)29-26-23-21-18-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",HRHVNFZHGUDLSW,UUWRZZSWSA,N,DG(i-13:0/20:0/0:0),HRHVNFZHGUDLSW-UUWRZZSWSA-N
HMDB93268,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",MAUGUZREKNEXFK,UUWRZZSWSA,N,DG(i-13:0/0:0/20:0),MAUGUZREKNEXFK-UUWRZZSWSA-N
HMDB93269,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-16-17-20-24-28-35(38)40-31-34(30-37)41-36(39)29-25-21-15-13-11-9-7-6-8-10-12-14-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m1/s1",NUJRTPPCTDRCOT,MUADHRSZSA,N,DG(a-13:0/i-20:0/0:0),NUJRTPPCTDRCOT-MUADHRSZSA-N
HMDB93270,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-16-17-21-25-29-36(39)41-31-34(37)30-40-35(38)28-24-20-15-13-11-9-7-6-8-10-12-14-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m1/s1",GOVIYUDVZORZRH,MUADHRSZSA,N,DG(a-13:0/0:0/i-20:0),GOVIYUDVZORZRH-MUADHRSZSA-N
HMDB93271,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-36(39)41-34(31-37)32-40-35(38)29-26-23-21-20-22-25-28-33(3)5-2/h33-34,37H,4-32H2,1-3H3/t33?,34-/m1/s1",DYRDIWWMQDZXKA,MUADHRSZSA,N,DG(a-13:0/20:0/0:0),DYRDIWWMQDZXKA-MUADHRSZSA-N
HMDB93272,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-20-22-25-28-33(3)5-2/h33-34,37H,4-32H2,1-3H3/t33?,34-/m1/s1",YHPFXFOZKRZLOJ,MUADHRSZSA,N,DG(a-13:0/0:0/20:0),YHPFXFOZKRZLOJ-MUADHRSZSA-N
HMDB93273,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-11-9-7-5-6-8-10-12-16-21-25-29-36(39)41-34(30-37)31-40-35(38)28-24-20-17-13-15-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m1/s1",ICEFXGSKRAFJEC,UUWRZZSWSA,N,DG(i-13:0/i-20:0/0:0),ICEFXGSKRAFJEC-UUWRZZSWSA-N
HMDB93274,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-11-9-7-5-6-8-10-12-16-20-24-28-35(38)40-30-34(37)31-41-36(39)29-25-21-17-13-15-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m1/s1",FWKQXNRKDNEMDR,UUWRZZSWSA,N,DG(i-13:0/0:0/i-20:0),FWKQXNRKDNEMDR-UUWRZZSWSA-N
HMDB93275,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-17-20-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-18-15-13-11-10-12-14-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",WEUUXIXYPKVLQE,UUWRZZSWSA,N,DG(13:0/i-20:0/0:0),WEUUXIXYPKVLQE-UUWRZZSWSA-N
HMDB93276,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-17-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-15-13-11-10-12-14-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m0/s1",AXKYGNZYCKVAGV,UMSFTDKQSA,N,DG(13:0/0:0/i-20:0),AXKYGNZYCKVAGV-UMSFTDKQSA-N
HMDB93277,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m1/s1",QCLNBCFJPBWNKP,PGUFJCEWSA,N,DG(13:0/21:0/0:0),QCLNBCFJPBWNKP-PGUFJCEWSA-N
HMDB93278,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1",ASERHBVHPUBPII,DHUJRADRSA,N,DG(13:0/0:0/21:0),ASERHBVHPUBPII-DHUJRADRSA-N
HMDB93279,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-37(40)42-35(32-38)33-41-36(39)30-27-24-22-19-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",CPFLMDKDBBRBCR,PGUFJCEWSA,N,DG(i-13:0/21:0/0:0),CPFLMDKDBBRBCR-PGUFJCEWSA-N
HMDB93280,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",HTZRLINGBGPXTM,PGUFJCEWSA,N,DG(i-13:0/0:0/21:0),HTZRLINGBGPXTM-PGUFJCEWSA-N
HMDB93281,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-5-34(4)28-24-20-17-18-21-25-29-36(39)41-32-35(31-38)42-37(40)30-26-22-16-14-12-10-8-6-7-9-11-13-15-19-23-27-33(2)3/h33-35,38H,5-32H2,1-4H3/t34?,35-/m1/s1",DESUDTRLYTYCOE,ICBMVRCQSA,N,DG(a-13:0/i-21:0/0:0),DESUDTRLYTYCOE-ICBMVRCQSA-N
HMDB93282,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-5-34(4)28-24-20-17-18-22-26-30-37(40)42-32-35(38)31-41-36(39)29-25-21-16-14-12-10-8-6-7-9-11-13-15-19-23-27-33(2)3/h33-35,38H,5-32H2,1-4H3/t34?,35-/m1/s1",JSYNQLODYHDHJF,ICBMVRCQSA,N,DG(a-13:0/0:0/i-21:0),JSYNQLODYHDHJF-ICBMVRCQSA-N
HMDB93283,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-5-34(4)28-24-20-16-12-10-8-6-7-9-11-13-17-22-26-30-37(40)42-35(31-38)32-41-36(39)29-25-21-18-14-15-19-23-27-33(2)3/h33-35,38H,5-32H2,1-4H3/t34?,35-/m1/s1",YUXOVVYNBKPISY,ICBMVRCQSA,N,DG(i-13:0/a-21:0/0:0),YUXOVVYNBKPISY-ICBMVRCQSA-N
HMDB93284,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-5-34(4)28-24-20-16-12-10-8-6-7-9-11-13-17-21-25-29-36(39)41-31-35(38)32-42-37(40)30-26-22-18-14-15-19-23-27-33(2)3/h33-35,38H,5-32H2,1-4H3/t34?,35-/m1/s1",WCRYSPBMBGQMND,ICBMVRCQSA,N,DG(i-13:0/0:0/a-21:0),WCRYSPBMBGQMND-ICBMVRCQSA-N
HMDB93285,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-37(40)42-35(32-38)33-41-36(39)30-27-24-22-21-23-26-29-34(3)5-2/h34-35,38H,4-33H2,1-3H3/t34?,35-/m1/s1",BMQYWAPTADSQIH,ICBMVRCQSA,N,DG(a-13:0/21:0/0:0),BMQYWAPTADSQIH-ICBMVRCQSA-N
HMDB93286,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-21-23-26-29-34(3)5-2/h34-35,38H,4-33H2,1-3H3/t34?,35-/m1/s1",QKFDAOCJGXGSGV,ICBMVRCQSA,N,DG(a-13:0/0:0/21:0),QKFDAOCJGXGSGV-ICBMVRCQSA-N
HMDB93287,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-33(2)27-23-19-15-12-10-8-6-5-7-9-11-13-17-22-26-30-37(40)42-35(31-38)32-41-36(39)29-25-21-18-14-16-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m1/s1",ZLCVFTNVBADOGV,PGUFJCEWSA,N,DG(i-13:0/i-21:0/0:0),ZLCVFTNVBADOGV-PGUFJCEWSA-N
HMDB93288,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-33(2)27-23-19-15-12-10-8-6-5-7-9-11-13-17-21-25-29-36(39)41-31-35(38)32-42-37(40)30-26-22-18-14-16-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m1/s1",SYWPPGGDUKVEHF,PGUFJCEWSA,N,DG(i-13:0/0:0/i-21:0),SYWPPGGDUKVEHF-PGUFJCEWSA-N
HMDB93289,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-18-21-24-27-30-36(39)41-33-35(32-38)42-37(40)31-28-25-22-19-16-14-12-10-11-13-15-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",RMEXLSAJOZECHW,PGUFJCEWSA,N,DG(13:0/i-21:0/0:0),RMEXLSAJOZECHW-PGUFJCEWSA-N
HMDB93290,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-18-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-16-14-12-10-11-13-15-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m0/s1",AFZVTBDKSHQLFU,DHUJRADRSA,N,DG(13:0/0:0/i-21:0),AFZVTBDKSHQLFU-DHUJRADRSA-N
HMDB93291,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-4-6-7-8-9-10-18-21-24-27-30-36(39)41-33-35(32-38)42-37(40)31-28-25-22-19-16-14-12-11-13-15-17-20-23-26-29-34(3)5-2/h34-35,38H,4-33H2,1-3H3/t34?,35-/m1/s1",VWNYOORMIMMFFT,ICBMVRCQSA,N,DG(13:0/a-21:0/0:0),VWNYOORMIMMFFT-ICBMVRCQSA-N
HMDB93292,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-4-6-7-8-9-10-18-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-16-14-12-11-13-15-17-20-23-26-29-34(3)5-2/h34-35,38H,4-33H2,1-3H3/t34?,35-/m0/s1",HKSKSQPVKYMZBT,HTIIIDOHSA,N,DG(13:0/0:0/a-21:0),HKSKSQPVKYMZBT-HTIIIDOHSA-N
HMDB93293,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-5-33(3)27-23-19-15-13-11-9-7-8-10-12-14-16-22-26-30-37(40)42-35(31-38)32-41-36(39)29-25-21-18-17-20-24-28-34(4)6-2/h33-35,38H,5-32H2,1-4H3/t33?,34?,35-/m1/s1",PCPWKWGNFNOJBT,KOZIHUGVSA,N,DG(a-13:0/a-21:0/0:0),PCPWKWGNFNOJBT-KOZIHUGVSA-N
HMDB93294,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-5-33(3)27-23-19-15-13-11-9-7-8-10-12-14-16-21-25-29-36(39)41-31-35(38)32-42-37(40)30-26-22-18-17-20-24-28-34(4)6-2/h33-35,38H,5-32H2,1-4H3/t33?,34?,35-/m1/s1",JFUALYZCHYWPPG,KOZIHUGVSA,N,DG(a-13:0/0:0/a-21:0),JFUALYZCHYWPPG-KOZIHUGVSA-N
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HMDB93359,526.459725096,C32H62O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C32H62O5/c1-4-5-6-7-8-9-10-13-16-19-22-25-31(34)36-28-30(27-33)37-32(35)26-23-20-17-14-11-12-15-18-21-24-29(2)3/h29-30,33H,4-28H2,1-3H3/t30-/m1/s1",DSKSDNPODRDOPJ,SSEXGKCCSA,N,DG(14:0/i-15:0/0:0),DSKSDNPODRDOPJ-SSEXGKCCSA-N
HMDB93360,526.459725096,C32H62O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C32H62O5/c1-4-5-6-7-8-9-10-13-16-19-22-25-31(34)36-27-30(33)28-37-32(35)26-23-20-17-14-11-12-15-18-21-24-29(2)3/h29-30,33H,4-28H2,1-3H3/t30-/m0/s1",TUSHTYPPRFDWOM,PMERELPUSA,N,DG(14:0/0:0/i-15:0),TUSHTYPPRFDWOM-PMERELPUSA-N
HMDB93361,526.459725096,C32H62O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C32H62O5/c1-4-6-7-8-9-10-11-12-16-19-22-25-31(34)36-28-30(27-33)37-32(35)26-23-20-17-14-13-15-18-21-24-29(3)5-2/h29-30,33H,4-28H2,1-3H3/t29?,30-/m1/s1",KUYXPKCMQAAFSV,BDCODIICSA,N,DG(14:0/a-15:0/0:0),KUYXPKCMQAAFSV-BDCODIICSA-N
HMDB93362,526.459725096,C32H62O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C32H62O5/c1-4-6-7-8-9-10-11-12-16-19-22-25-31(34)36-27-30(33)28-37-32(35)26-23-20-17-14-13-15-18-21-24-29(3)5-2/h29-30,33H,4-28H2,1-3H3/t29?,30-/m0/s1",CEFRQMZFEXJALX,ZSXSBBPPSA,N,DG(14:0/0:0/a-15:0),CEFRQMZFEXJALX-ZSXSBBPPSA-N
HMDB93363,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-10-11-12-13-18-21-24-27-33(36)38-31(28-34)29-37-32(35)26-23-20-17-15-14-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",LMWSRLAEAHJGSI,WJOKGBTCSA,N,DG(i-14:0/16:0/0:0),LMWSRLAEAHJGSI-WJOKGBTCSA-N
HMDB93364,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-15-14-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",KHMAIJWDZMXVGP,WJOKGBTCSA,N,DG(i-14:0/0:0/16:0),KHMAIJWDZMXVGP-WJOKGBTCSA-N
HMDB93365,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-29(2)23-19-15-11-7-5-6-8-14-18-22-26-33(36)38-31(27-34)28-37-32(35)25-21-17-13-10-9-12-16-20-24-30(3)4/h29-31,34H,5-28H2,1-4H3/t31-/m1/s1",OVNMQDWEOOPDDI,WJOKGBTCSA,N,DG(i-14:0/i-16:0/0:0),OVNMQDWEOOPDDI-WJOKGBTCSA-N
HMDB93366,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-29(2)23-19-15-11-7-5-6-8-13-17-21-25-32(35)37-27-31(34)28-38-33(36)26-22-18-14-10-9-12-16-20-24-30(3)4/h29-31,34H,5-28H2,1-4H3/t31-/m1/s1",ISUSHHUJBJQGTF,WJOKGBTCSA,N,DG(i-14:0/0:0/i-16:0),ISUSHHUJBJQGTF-WJOKGBTCSA-N
HMDB93367,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-10-14-17-20-23-26-32(35)37-29-31(28-34)38-33(36)27-24-21-18-15-12-11-13-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",YOABPXKZMNPLQJ,WJOKGBTCSA,N,DG(14:0/i-16:0/0:0),YOABPXKZMNPLQJ-WJOKGBTCSA-N
HMDB93368,540.475375161,C33H64O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-10-14-17-20-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-15-12-11-13-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m0/s1",TZBCQHIKWWDGDF,HKBQPEDESA,N,DG(14:0/0:0/i-16:0),TZBCQHIKWWDGDF-HKBQPEDESA-N
HMDB93369,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-18-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m1/s1",QIRREZVWUVQDDC,JGCGQSQUSA,N,DG(14:0/17:0/0:0),QIRREZVWUVQDDC-JGCGQSQUSA-N
HMDB93370,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-20-18-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m0/s1",YEFYOIFPAWJEIM,YTTGMZPUSA,N,DG(14:0/0:0/17:0),YEFYOIFPAWJEIM-YTTGMZPUSA-N
HMDB93371,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-19-22-25-28-34(37)39-32(29-35)30-38-33(36)27-24-21-18-16-15-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",ODTNMWWVULEMMZ,JGCGQSQUSA,N,DG(i-14:0/17:0/0:0),ODTNMWWVULEMMZ-JGCGQSQUSA-N
HMDB93372,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-15-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",VYXXRAZQJJMOSB,JGCGQSQUSA,N,DG(i-14:0/0:0/17:0),VYXXRAZQJJMOSB-JGCGQSQUSA-N
HMDB93373,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-5-31(4)25-21-17-13-8-6-7-9-15-19-23-27-34(37)39-32(28-35)29-38-33(36)26-22-18-14-11-10-12-16-20-24-30(2)3/h30-32,35H,5-29H2,1-4H3/t31?,32-/m1/s1",NWZJRGHLZGIOAS,IADGFXSZSA,N,DG(i-14:0/a-17:0/0:0),NWZJRGHLZGIOAS-IADGFXSZSA-N
HMDB93374,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-5-31(4)25-21-17-13-8-6-7-9-14-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-11-10-12-16-20-24-30(2)3/h30-32,35H,5-29H2,1-4H3/t31?,32-/m1/s1",WCFGNZSGTVGFQQ,IADGFXSZSA,N,DG(i-14:0/0:0/a-17:0),WCFGNZSGTVGFQQ-IADGFXSZSA-N
HMDB93375,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-6-5-7-9-15-19-23-27-34(37)39-32(28-35)29-38-33(36)26-22-18-14-11-10-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",KWXPVOOEYSJAGC,JGCGQSQUSA,N,DG(i-14:0/i-17:0/0:0),KWXPVOOEYSJAGC-JGCGQSQUSA-N
HMDB93376,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-6-5-7-9-14-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-11-10-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",SWTXTEWZVJTFQG,JGCGQSQUSA,N,DG(i-14:0/0:0/i-17:0),SWTXTEWZVJTFQG-JGCGQSQUSA-N
HMDB93377,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-11-15-18-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-16-13-10-12-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",WVGFBRDOMBLVDQ,JGCGQSQUSA,N,DG(14:0/i-17:0/0:0),WVGFBRDOMBLVDQ-JGCGQSQUSA-N
HMDB93378,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-11-15-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-13-10-12-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m0/s1",NQQRUHFYXBYHBN,YTTGMZPUSA,N,DG(14:0/0:0/i-17:0),NQQRUHFYXBYHBN-YTTGMZPUSA-N
HMDB93379,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-15-18-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-16-13-12-14-17-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m1/s1",PPEKLEUHWYOQFK,IADGFXSZSA,N,DG(14:0/a-17:0/0:0),PPEKLEUHWYOQFK-IADGFXSZSA-N
HMDB93380,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-15-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-13-12-14-17-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m0/s1",XMZIMMIJAKLWHZ,JYUUXGOASA,N,DG(14:0/0:0/a-17:0),XMZIMMIJAKLWHZ-JYUUXGOASA-N
HMDB93381,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-17-16-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",BMDHONDIQJMOHK,MGBGTMOVSA,N,DG(i-14:0/18:0/0:0),BMDHONDIQJMOHK-MGBGTMOVSA-N
HMDB93382,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-16-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",UIHWIPYOCFFZSQ,MGBGTMOVSA,N,DG(i-14:0/0:0/18:0),UIHWIPYOCFFZSQ-MGBGTMOVSA-N
HMDB93383,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-7-5-6-8-10-16-20-24-28-35(38)40-33(29-36)30-39-34(37)27-23-19-15-12-11-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",LWSUILIISOKLLS,MGBGTMOVSA,N,DG(i-14:0/i-18:0/0:0),LWSUILIISOKLLS-MGBGTMOVSA-N
HMDB93384,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-7-5-6-8-10-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-11-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",VYPQZXPQMYPDFC,MGBGTMOVSA,N,DG(i-14:0/0:0/i-18:0),VYPQZXPQMYPDFC-MGBGTMOVSA-N
HMDB93385,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-12-16-19-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-17-14-11-10-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",DHAUMEMNWUNIIE,MGBGTMOVSA,N,DG(14:0/i-18:0/0:0),DHAUMEMNWUNIIE-MGBGTMOVSA-N
HMDB93386,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-12-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-11-10-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1",BFBJPGLGXAOAHY,XIFFEERXSA,N,DG(14:0/0:0/i-18:0),BFBJPGLGXAOAHY-XIFFEERXSA-N
HMDB93387,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1",RCJCEWSKYFICIT,UUWRZZSWSA,N,DG(14:0/19:0/0:0),RCJCEWSKYFICIT-UUWRZZSWSA-N
HMDB93388,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m0/s1",QYWOWARCDQWHGO,UMSFTDKQSA,N,DG(14:0/0:0/19:0),QYWOWARCDQWHGO-UMSFTDKQSA-N
HMDB93389,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-27-30-36(39)41-34(31-37)32-40-35(38)29-26-23-20-18-17-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",JKMBLDHPLKDLOU,UUWRZZSWSA,N,DG(i-14:0/19:0/0:0),JKMBLDHPLKDLOU-UUWRZZSWSA-N
HMDB93390,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-17-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",YTBCTDFPKQXYKB,UUWRZZSWSA,N,DG(i-14:0/0:0/19:0),YTBCTDFPKQXYKB-UUWRZZSWSA-N
HMDB93391,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-10-8-6-5-7-9-11-17-21-25-29-36(39)41-34(30-37)31-40-35(38)28-24-20-16-13-12-15-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m1/s1",YOSILTYHPVLUGT,UUWRZZSWSA,N,DG(i-14:0/i-19:0/0:0),YOSILTYHPVLUGT-UUWRZZSWSA-N
HMDB93392,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-10-8-6-5-7-9-11-16-20-24-28-35(38)40-30-34(37)31-41-36(39)29-25-21-17-13-12-15-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m1/s1",HPKWEMWQHPWADP,UUWRZZSWSA,N,DG(i-14:0/0:0/i-19:0),HPKWEMWQHPWADP-UUWRZZSWSA-N
HMDB93393,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-13-17-20-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-18-15-12-10-11-14-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",FBHGVIKMRJOSAK,UUWRZZSWSA,N,DG(14:0/i-19:0/0:0),FBHGVIKMRJOSAK-UUWRZZSWSA-N
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HMDB93490,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-32(35)37-29-31(28-34)38-33(36)27-24-21-18-15-12-13-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",OQHKZNOCYFCJCX,WJOKGBTCSA,N,DG(15:0/i-15:0/0:0),OQHKZNOCYFCJCX-WJOKGBTCSA-N
HMDB93491,540.475375161,C33H64O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-15-12-13-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m0/s1",ZJIFIJMYIZPZJW,HKBQPEDESA,N,DG(15:0/0:0/i-15:0),ZJIFIJMYIZPZJW-HKBQPEDESA-N
HMDB93492,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C33H64O5/c1-4-6-7-8-9-10-11-12-13-17-20-23-26-32(35)37-29-31(28-34)38-33(36)27-24-21-18-15-14-16-19-22-25-30(3)5-2/h30-31,34H,4-29H2,1-3H3/t30?,31-/m1/s1",NMQWOIWXPVHNJQ,NLIBRCFJSA,N,DG(15:0/a-15:0/0:0),NMQWOIWXPVHNJQ-NLIBRCFJSA-N
HMDB93493,540.475375161,C33H64O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C33H64O5/c1-4-6-7-8-9-10-11-12-13-17-20-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-15-14-16-19-22-25-30(3)5-2/h30-31,34H,4-29H2,1-3H3/t30?,31-/m0/s1",GOZJBWJLVIKACW,FLDQDSGZSA,N,DG(15:0/0:0/a-15:0),GOZJBWJLVIKACW-FLDQDSGZSA-N
HMDB93494,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C33H64O5/c1-5-29(3)23-19-15-11-7-9-13-17-21-25-32(35)37-28-31(27-34)38-33(36)26-22-18-14-10-8-12-16-20-24-30(4)6-2/h29-31,34H,5-28H2,1-4H3/t29?,30?,31-/m1/s1",HFCUDRKHCHDCLJ,QMJLEDSTSA,N,DG(a-15:0/a-15:0/0:0),HFCUDRKHCHDCLJ-QMJLEDSTSA-N
HMDB93495,540.475375161,C33H64O5,[H]C(O)(COC(=O)CCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C33H64O5/c1-5-29(3)23-19-15-11-7-9-13-17-21-25-32(35)37-27-31(34)28-38-33(36)26-22-18-14-10-8-12-16-20-24-30(4)6-2/h29-31,34H,5-28H2,1-4H3",BDUZSCYSRDHSBR,UHFFFAOYSA,N,DG(a-15:0/0:0/a-15:0),BDUZSCYSRDHSBR-UHFFFAOYSA-N
HMDB93496,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-15-19-22-25-28-34(37)39-32(29-35)30-38-33(36)27-24-21-18-16-13-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",LHIAZVUALPJIJS,JGCGQSQUSA,N,DG(i-15:0/16:0/0:0),LHIAZVUALPJIJS-JGCGQSQUSA-N
HMDB93497,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-13-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",DBDFECZXFCLJAF,JGCGQSQUSA,N,DG(i-15:0/0:0/16:0),DBDFECZXFCLJAF-JGCGQSQUSA-N
HMDB93498,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-5-31(4)25-21-17-13-10-11-14-18-22-26-33(36)38-29-32(28-35)39-34(37)27-23-19-15-9-7-6-8-12-16-20-24-30(2)3/h30-32,35H,5-29H2,1-4H3/t31?,32-/m1/s1",KNMKCOQJZIUPBJ,IADGFXSZSA,N,DG(a-15:0/i-16:0/0:0),KNMKCOQJZIUPBJ-IADGFXSZSA-N
HMDB93499,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-5-31(4)25-21-17-13-10-11-15-19-23-27-34(37)39-29-32(35)28-38-33(36)26-22-18-14-9-7-6-8-12-16-20-24-30(2)3/h30-32,35H,5-29H2,1-4H3/t31?,32-/m1/s1",NMJQQTAZCJOECB,IADGFXSZSA,N,DG(a-15:0/0:0/i-16:0),NMJQQTAZCJOECB-IADGFXSZSA-N
HMDB93500,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-12-13-14-19-22-25-28-34(37)39-32(29-35)30-38-33(36)27-24-21-18-16-15-17-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m1/s1",IWRWRQRTBWQOJD,IADGFXSZSA,N,DG(a-15:0/16:0/0:0),IWRWRQRTBWQOJD-IADGFXSZSA-N
HMDB93501,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-12-13-14-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-15-17-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m1/s1",IPDQESJTSMUOME,IADGFXSZSA,N,DG(a-15:0/0:0/16:0),IPDQESJTSMUOME-IADGFXSZSA-N
HMDB93502,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-5-6-10-15-19-23-27-34(37)39-32(28-35)29-38-33(36)26-22-18-14-11-7-9-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",ORSUFHUGGRIZLY,JGCGQSQUSA,N,DG(i-15:0/i-16:0/0:0),ORSUFHUGGRIZLY-JGCGQSQUSA-N
HMDB93503,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-5-6-10-14-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-11-7-9-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",MXKOWYWCQJVZCP,JGCGQSQUSA,N,DG(i-15:0/0:0/i-16:0),MXKOWYWCQJVZCP-JGCGQSQUSA-N
HMDB93504,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-15-18-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-16-13-12-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",CLTVWVLIOLRHSO,JGCGQSQUSA,N,DG(15:0/i-16:0/0:0),CLTVWVLIOLRHSO-JGCGQSQUSA-N
HMDB93505,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-15-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-13-12-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m0/s1",VQUILMRWNXXJCH,YTTGMZPUSA,N,DG(15:0/0:0/i-16:0),VQUILMRWNXXJCH-YTTGMZPUSA-N
HMDB93506,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",RDWXBJISQSMHCQ,MGBGTMOVSA,N,DG(15:0/17:0/0:0),RDWXBJISQSMHCQ-MGBGTMOVSA-N
HMDB93507,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1",UQANFOPCCFMXOG,XIFFEERXSA,N,DG(15:0/0:0/17:0),UQANFOPCCFMXOG-XIFFEERXSA-N
HMDB93508,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-16-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-17-14-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",BMONPYRQVJNSOT,MGBGTMOVSA,N,DG(i-15:0/17:0/0:0),BMONPYRQVJNSOT-MGBGTMOVSA-N
HMDB93509,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",ZUTFCHXXOIPCOT,MGBGTMOVSA,N,DG(i-15:0/0:0/17:0),ZUTFCHXXOIPCOT-MGBGTMOVSA-N
HMDB93510,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-14-11-12-15-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-10-8-6-7-9-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m1/s1",AHMYSMVRIRHLQC,ZHZZGXISSA,N,DG(a-15:0/i-17:0/0:0),AHMYSMVRIRHLQC-ZHZZGXISSA-N
HMDB93511,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-14-11-12-16-20-24-28-35(38)40-30-33(36)29-39-34(37)27-23-19-15-10-8-6-7-9-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m1/s1",DSFVWBGJELAVSM,ZHZZGXISSA,N,DG(a-15:0/0:0/i-17:0),DSFVWBGJELAVSM-ZHZZGXISSA-N
HMDB93512,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-14-10-6-7-11-16-20-24-28-35(38)40-33(29-36)30-39-34(37)27-23-19-15-12-8-9-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m1/s1",NERKHTGLBAPPHE,ZHZZGXISSA,N,DG(i-15:0/a-17:0/0:0),NERKHTGLBAPPHE-ZHZZGXISSA-N
HMDB93513,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-14-10-6-7-11-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-8-9-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m1/s1",NFKJFAFDDRFNJH,ZHZZGXISSA,N,DG(i-15:0/0:0/a-17:0),NFKJFAFDDRFNJH-ZHZZGXISSA-N
HMDB93514,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-13-14-15-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-17-16-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m1/s1",KLIMXENMEGKDOY,ZHZZGXISSA,N,DG(a-15:0/17:0/0:0),KLIMXENMEGKDOY-ZHZZGXISSA-N
HMDB93515,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-13-14-15-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-16-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m1/s1",LSMVLVYVQRJFKW,ZHZZGXISSA,N,DG(a-15:0/0:0/17:0),LSMVLVYVQRJFKW-ZHZZGXISSA-N
HMDB93516,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-6-5-7-11-16-20-24-28-35(38)40-33(29-36)30-39-34(37)27-23-19-15-12-8-10-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",YKWXIPFCEGOMEN,MGBGTMOVSA,N,DG(i-15:0/i-17:0/0:0),YKWXIPFCEGOMEN-MGBGTMOVSA-N
HMDB93517,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-6-5-7-11-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-8-10-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",MTWDRNJTEJZNSG,MGBGTMOVSA,N,DG(i-15:0/0:0/i-17:0),MTWDRNJTEJZNSG-MGBGTMOVSA-N
HMDB93518,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-13-16-19-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-17-14-11-12-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",JTTXGWVYSVAFGB,MGBGTMOVSA,N,DG(15:0/i-17:0/0:0),JTTXGWVYSVAFGB-MGBGTMOVSA-N
HMDB93519,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-13-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-11-12-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1",DZABUWQBPDBRGD,XIFFEERXSA,N,DG(15:0/0:0/i-17:0),DZABUWQBPDBRGD-XIFFEERXSA-N
HMDB93520,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-16-19-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-17-14-13-15-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m1/s1",NMCZHAWTYOSFJR,ZHZZGXISSA,N,DG(15:0/a-17:0/0:0),NMCZHAWTYOSFJR-ZHZZGXISSA-N
HMDB93521,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-13-15-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m0/s1",ZOMASYIOFNDLAO,OBOZPERJSA,N,DG(15:0/0:0/a-17:0),ZOMASYIOFNDLAO-OBOZPERJSA-N
HMDB93522,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-5-31(3)25-21-17-13-9-7-8-10-16-20-24-28-35(38)40-33(29-36)30-39-34(37)27-23-19-15-12-11-14-18-22-26-32(4)6-2/h31-33,36H,5-30H2,1-4H3/t31?,32?,33-/m1/s1",AELBFBJAVSBVSQ,OXLCSVRNSA,N,DG(a-15:0/a-17:0/0:0),AELBFBJAVSBVSQ-OXLCSVRNSA-N
HMDB93523,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-5-31(3)25-21-17-13-9-7-8-10-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-11-14-18-22-26-32(4)6-2/h31-33,36H,5-30H2,1-4H3/t31?,32?,33-/m1/s1",QGZGSEGNOFWBDX,OXLCSVRNSA,N,DG(a-15:0/0:0/a-17:0),QGZGSEGNOFWBDX-OXLCSVRNSA-N
HMDB93524,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-36(39)41-34(31-37)32-40-35(38)29-26-23-20-18-15-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",KIRPEHLYOQSBQN,UUWRZZSWSA,N,DG(i-15:0/18:0/0:0),KIRPEHLYOQSBQN-UUWRZZSWSA-N
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HMDB93619,526.459725096,C32H62O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C32H62O5/c1-28(2)22-18-14-10-7-5-6-8-12-16-20-24-31(34)36-26-30(33)27-37-32(35)25-21-17-13-9-11-15-19-23-29(3)4/h28-30,33H,5-27H2,1-4H3/t30-/m0/s1",AEIONZPJIHVANG,PMERELPUSA,N,DG(i-16:0/0:0/i-13:0),AEIONZPJIHVANG-PMERELPUSA-N
HMDB93620,526.459725096,C32H62O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C32H62O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-31(34)36-28-30(27-33)37-32(35)26-23-20-17-14-15-18-21-24-29(2)3/h29-30,33H,4-28H2,1-3H3/t30-/m1/s1",GPCMLTWASRYJGO,SSEXGKCCSA,N,DG(16:0/i-13:0/0:0),GPCMLTWASRYJGO-SSEXGKCCSA-N
HMDB93621,526.459725096,C32H62O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C32H62O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-31(34)36-27-30(33)28-37-32(35)26-23-20-17-14-15-18-21-24-29(2)3/h29-30,33H,4-28H2,1-3H3/t30-/m0/s1",PMKPJIGIGAUZFP,PMERELPUSA,N,DG(16:0/0:0/i-13:0),PMKPJIGIGAUZFP-PMERELPUSA-N
HMDB93622,526.459725096,C32H62O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C32H62O5/c1-4-6-7-8-9-10-11-12-13-14-15-19-22-25-31(34)36-28-30(27-33)37-32(35)26-23-20-17-16-18-21-24-29(3)5-2/h29-30,33H,4-28H2,1-3H3/t29?,30-/m1/s1",HGFVTLQNQCCDOR,BDCODIICSA,N,DG(16:0/a-13:0/0:0),HGFVTLQNQCCDOR-BDCODIICSA-N
HMDB93623,526.459725096,C32H62O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C32H62O5/c1-4-6-7-8-9-10-11-12-13-14-15-19-22-25-31(34)36-27-30(33)28-37-32(35)26-23-20-17-16-18-21-24-29(3)5-2/h29-30,33H,4-28H2,1-3H3/t29?,30-/m0/s1",HGIGWHWVRUYIIA,ZSXSBBPPSA,N,DG(16:0/0:0/a-13:0),HGIGWHWVRUYIIA-ZSXSBBPPSA-N
HMDB93624,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m1/s1",MDJXLANKTSDJQI,WJOKGBTCSA,N,DG(16:0/0:0/14:0),MDJXLANKTSDJQI-WJOKGBTCSA-N
HMDB93625,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-10-15-18-21-24-27-33(36)38-31(28-34)29-37-32(35)26-23-20-17-14-12-11-13-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",MIMHTEIXRBVNKL,WJOKGBTCSA,N,DG(i-16:0/14:0/0:0),MIMHTEIXRBVNKL-WJOKGBTCSA-N
HMDB93626,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-10-14-17-20-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-15-12-11-13-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",TZBCQHIKWWDGDF,WJOKGBTCSA,N,DG(i-16:0/0:0/14:0),TZBCQHIKWWDGDF-WJOKGBTCSA-N
HMDB93627,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-29(2)23-19-15-11-7-5-6-8-13-17-21-25-32(35)37-28-31(27-34)38-33(36)26-22-18-14-10-9-12-16-20-24-30(3)4/h29-31,34H,5-28H2,1-4H3/t31-/m1/s1",UNDCZOVBBHCYKF,WJOKGBTCSA,N,DG(i-16:0/i-14:0/0:0),UNDCZOVBBHCYKF-WJOKGBTCSA-N
HMDB93628,540.475375161,C33H64O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-29(2)23-19-15-11-7-5-6-8-13-17-21-25-32(35)37-27-31(34)28-38-33(36)26-22-18-14-10-9-12-16-20-24-30(3)4/h29-31,34H,5-28H2,1-4H3/t31-/m0/s1",ISUSHHUJBJQGTF,HKBQPEDESA,N,DG(i-16:0/0:0/i-14:0),ISUSHHUJBJQGTF-HKBQPEDESA-N
HMDB93629,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-32(35)37-29-31(28-34)38-33(36)27-24-21-18-15-14-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",BBZUDUPCFUXMLU,WJOKGBTCSA,N,DG(16:0/i-14:0/0:0),BBZUDUPCFUXMLU-WJOKGBTCSA-N
HMDB93630,540.475375161,C33H64O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-15-14-16-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m0/s1",KHMAIJWDZMXVGP,HKBQPEDESA,N,DG(16:0/0:0/i-14:0),KHMAIJWDZMXVGP-HKBQPEDESA-N
HMDB93631,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m1/s1",LXYIVDPMVSFSBA,JGCGQSQUSA,N,DG(16:0/0:0/15:0),LXYIVDPMVSFSBA-JGCGQSQUSA-N
HMDB93632,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-16-19-22-25-28-34(37)39-32(29-35)30-38-33(36)27-24-21-18-15-13-12-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",GPPYASAHFQBNNU,JGCGQSQUSA,N,DG(i-16:0/15:0/0:0),GPPYASAHFQBNNU-JGCGQSQUSA-N
HMDB93633,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-15-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-13-12-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",VQUILMRWNXXJCH,JGCGQSQUSA,N,DG(i-16:0/0:0/15:0),VQUILMRWNXXJCH-JGCGQSQUSA-N
HMDB93634,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-5-31(4)25-21-17-13-10-11-15-19-23-27-34(37)39-32(28-35)29-38-33(36)26-22-18-14-9-7-6-8-12-16-20-24-30(2)3/h30-32,35H,5-29H2,1-4H3/t31?,32-/m1/s1",HGGIWNQLZHXSGQ,IADGFXSZSA,N,DG(i-16:0/a-15:0/0:0),HGGIWNQLZHXSGQ-IADGFXSZSA-N
HMDB93635,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-5-31(4)25-21-17-13-10-11-15-19-23-27-34(37)39-29-32(35)28-38-33(36)26-22-18-14-9-7-6-8-12-16-20-24-30(2)3/h30-32,35H,5-29H2,1-4H3/t31?,32-/m0/s1",NMJQQTAZCJOECB,JYUUXGOASA,N,DG(i-16:0/0:0/a-15:0),NMJQQTAZCJOECB-JYUUXGOASA-N
HMDB93636,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-5-6-10-14-18-22-26-33(36)38-29-32(28-35)39-34(37)27-23-19-15-11-7-9-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",GTIRSLSRWHQMSK,JGCGQSQUSA,N,DG(i-16:0/i-15:0/0:0),GTIRSLSRWHQMSK-JGCGQSQUSA-N
HMDB93637,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-5-6-10-14-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-11-7-9-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1",MXKOWYWCQJVZCP,YTTGMZPUSA,N,DG(i-16:0/0:0/i-15:0),MXKOWYWCQJVZCP-YTTGMZPUSA-N
HMDB93638,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-16-13-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",HEWZBCHGFUBAJD,JGCGQSQUSA,N,DG(16:0/i-15:0/0:0),HEWZBCHGFUBAJD-JGCGQSQUSA-N
HMDB93639,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-13-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m0/s1",DBDFECZXFCLJAF,YTTGMZPUSA,N,DG(16:0/0:0/i-15:0),DBDFECZXFCLJAF-YTTGMZPUSA-N
HMDB93640,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-12-13-14-18-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-16-15-17-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m1/s1",HEGSUSQWUSSLMS,IADGFXSZSA,N,DG(16:0/a-15:0/0:0),HEGSUSQWUSSLMS-IADGFXSZSA-N
HMDB93641,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-12-13-14-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-15-17-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m0/s1",IPDQESJTSMUOME,JYUUXGOASA,N,DG(16:0/0:0/a-15:0),IPDQESJTSMUOME-JYUUXGOASA-N
HMDB93642,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-17-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-16-14-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",ZZWVBZYJQRUUEX,MGBGTMOVSA,N,DG(i-16:0/16:0/0:0),ZZWVBZYJQRUUEX-MGBGTMOVSA-N
HMDB93643,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",XNJBPCACZSSANV,MGBGTMOVSA,N,DG(i-16:0/0:0/16:0),XNJBPCACZSSANV-MGBGTMOVSA-N
HMDB93644,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-5-7-11-15-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-12-8-6-10-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",XFLCOCLKDUMFFB,MGBGTMOVSA,N,DG(i-16:0/i-16:0/0:0),XFLCOCLKDUMFFB-MGBGTMOVSA-N
HMDB93645,568.50667529,C35H68O5,[H]C(O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-5-7-11-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-8-6-10-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3",RGMITWLABSGWEU,UHFFFAOYSA,N,DG(i-16:0/0:0/i-16:0),RGMITWLABSGWEU-UHFFFAOYSA-N
HMDB93646,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-16-19-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-17-14-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",AZMTYTOWIMANKK,MGBGTMOVSA,N,DG(16:0/i-16:0/0:0),AZMTYTOWIMANKK-MGBGTMOVSA-N
HMDB93647,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1",XNJBPCACZSSANV,XIFFEERXSA,N,DG(16:0/0:0/i-16:0),XNJBPCACZSSANV-XIFFEERXSA-N
HMDB93648,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1",WXGMZWZWWLFHHY,UUWRZZSWSA,N,DG(16:0/17:0/0:0),WXGMZWZWWLFHHY-UUWRZZSWSA-N
HMDB93649,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m0/s1",XZIJXGWQTNCJCA,UMSFTDKQSA,N,DG(16:0/0:0/17:0),XZIJXGWQTNCJCA-UMSFTDKQSA-N
HMDB93650,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-18-21-24-27-30-36(39)41-34(31-37)32-40-35(38)29-26-23-20-17-15-14-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",ZEUZFCJWXUDWEY,UUWRZZSWSA,N,DG(i-16:0/17:0/0:0),ZEUZFCJWXUDWEY-UUWRZZSWSA-N
HMDB93651,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-15-14-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",DGYXAJOEDZYOBR,UUWRZZSWSA,N,DG(i-16:0/0:0/17:0),DGYXAJOEDZYOBR-UUWRZZSWSA-N
HMDB93652,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-15-11-7-9-13-17-21-25-29-36(39)41-34(30-37)31-40-35(38)28-24-20-16-12-8-6-10-14-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m1/s1",UAGINGFRCSBLFO,MUADHRSZSA,N,DG(i-16:0/a-17:0/0:0),UAGINGFRCSBLFO-MUADHRSZSA-N
HMDB93653,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-15-11-7-9-13-17-21-25-29-36(39)41-31-34(37)30-40-35(38)28-24-20-16-12-8-6-10-14-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m0/s1",IFDQUUPRXNQPKH,DNKZHYAASA,N,DG(i-16:0/0:0/a-17:0),IFDQUUPRXNQPKH-DNKZHYAASA-N
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HMDB93749,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-20-18-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m1/s1",YEFYOIFPAWJEIM,JGCGQSQUSA,N,DG(17:0/0:0/14:0),YEFYOIFPAWJEIM-JGCGQSQUSA-N
HMDB93750,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-11-16-19-22-25-28-34(37)39-32(29-35)30-38-33(36)27-24-21-18-15-13-10-12-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",BADMUYJGPAZOIB,JGCGQSQUSA,N,DG(i-17:0/14:0/0:0),BADMUYJGPAZOIB-JGCGQSQUSA-N
HMDB93751,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-11-15-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-13-10-12-14-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",NQQRUHFYXBYHBN,JGCGQSQUSA,N,DG(i-17:0/0:0/14:0),NQQRUHFYXBYHBN-JGCGQSQUSA-N
HMDB93752,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-5-31(4)25-21-17-13-8-6-7-9-14-18-22-26-33(36)38-29-32(28-35)39-34(37)27-23-19-15-11-10-12-16-20-24-30(2)3/h30-32,35H,5-29H2,1-4H3/t31?,32-/m1/s1",DZCQLZJISNYIMR,IADGFXSZSA,N,DG(a-17:0/i-14:0/0:0),DZCQLZJISNYIMR-IADGFXSZSA-N
HMDB93753,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-5-31(4)25-21-17-13-8-6-7-9-14-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-11-10-12-16-20-24-30(2)3/h30-32,35H,5-29H2,1-4H3/t31?,32-/m0/s1",WCFGNZSGTVGFQQ,JYUUXGOASA,N,DG(a-17:0/0:0/i-14:0),WCFGNZSGTVGFQQ-JYUUXGOASA-N
HMDB93754,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-16-19-22-25-28-34(37)39-32(29-35)30-38-33(36)27-24-21-18-15-13-12-14-17-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m1/s1",LFUSZKNOHGFNRA,IADGFXSZSA,N,DG(a-17:0/14:0/0:0),LFUSZKNOHGFNRA-IADGFXSZSA-N
HMDB93755,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-15-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-13-12-14-17-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m1/s1",XMZIMMIJAKLWHZ,IADGFXSZSA,N,DG(a-17:0/0:0/14:0),XMZIMMIJAKLWHZ-IADGFXSZSA-N
HMDB93756,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-6-5-7-9-14-18-22-26-33(36)38-29-32(28-35)39-34(37)27-23-19-15-11-10-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",UTNPWGZVBSQLLO,JGCGQSQUSA,N,DG(i-17:0/i-14:0/0:0),UTNPWGZVBSQLLO-JGCGQSQUSA-N
HMDB93757,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-6-5-7-9-14-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-11-10-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1",SWTXTEWZVJTFQG,YTTGMZPUSA,N,DG(i-17:0/0:0/i-14:0),SWTXTEWZVJTFQG-YTTGMZPUSA-N
HMDB93758,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-16-15-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",QZHNYTWABRINFP,JGCGQSQUSA,N,DG(17:0/i-14:0/0:0),QZHNYTWABRINFP-JGCGQSQUSA-N
HMDB93759,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-15-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m0/s1",VYXXRAZQJJMOSB,YTTGMZPUSA,N,DG(17:0/0:0/i-14:0),VYXXRAZQJJMOSB-YTTGMZPUSA-N
HMDB93760,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",LSTBZLKZLUPCQI,MGBGTMOVSA,N,DG(17:0/15:0/0:0),LSTBZLKZLUPCQI-MGBGTMOVSA-N
HMDB93761,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",UQANFOPCCFMXOG,MGBGTMOVSA,N,DG(17:0/0:0/15:0),UQANFOPCCFMXOG-MGBGTMOVSA-N
HMDB93762,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-13-17-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-16-14-11-12-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",IYOFTAGKLCVXNA,MGBGTMOVSA,N,DG(i-17:0/15:0/0:0),IYOFTAGKLCVXNA-MGBGTMOVSA-N
HMDB93763,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-13-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-11-12-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",DZABUWQBPDBRGD,MGBGTMOVSA,N,DG(i-17:0/0:0/15:0),DZABUWQBPDBRGD-MGBGTMOVSA-N
HMDB93764,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-14-10-6-7-11-15-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-12-8-9-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m1/s1",RYWQPNWHUIOEAX,ZHZZGXISSA,N,DG(a-17:0/i-15:0/0:0),RYWQPNWHUIOEAX-ZHZZGXISSA-N
HMDB93765,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-14-10-6-7-11-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-8-9-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m0/s1",NFKJFAFDDRFNJH,OBOZPERJSA,N,DG(a-17:0/0:0/i-15:0),NFKJFAFDDRFNJH-OBOZPERJSA-N
HMDB93766,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-14-11-12-16-20-24-28-35(38)40-33(29-36)30-39-34(37)27-23-19-15-10-8-6-7-9-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m1/s1",BCNDPCGRGIUFSO,ZHZZGXISSA,N,DG(i-17:0/a-15:0/0:0),BCNDPCGRGIUFSO-ZHZZGXISSA-N
HMDB93767,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-14-11-12-16-20-24-28-35(38)40-30-33(36)29-39-34(37)27-23-19-15-10-8-6-7-9-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m0/s1",DSFVWBGJELAVSM,OBOZPERJSA,N,DG(i-17:0/0:0/a-15:0),DSFVWBGJELAVSM-OBOZPERJSA-N
HMDB93768,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-17-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-16-14-13-15-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m1/s1",LFYHDNSVTNRXFN,ZHZZGXISSA,N,DG(a-17:0/15:0/0:0),LFYHDNSVTNRXFN-ZHZZGXISSA-N
HMDB93769,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-13-15-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m1/s1",ZOMASYIOFNDLAO,ZHZZGXISSA,N,DG(a-17:0/0:0/15:0),ZOMASYIOFNDLAO-ZHZZGXISSA-N
HMDB93770,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-6-5-7-11-15-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-12-8-10-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",JMKHRNKMIQZHIK,MGBGTMOVSA,N,DG(i-17:0/i-15:0/0:0),JMKHRNKMIQZHIK-MGBGTMOVSA-N
HMDB93771,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-6-5-7-11-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-8-10-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m0/s1",MTWDRNJTEJZNSG,XIFFEERXSA,N,DG(i-17:0/0:0/i-15:0),MTWDRNJTEJZNSG-XIFFEERXSA-N
HMDB93772,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-17-14-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",XPVLSKBLGXGLLM,MGBGTMOVSA,N,DG(17:0/i-15:0/0:0),XPVLSKBLGXGLLM-MGBGTMOVSA-N
HMDB93773,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1",ZUTFCHXXOIPCOT,XIFFEERXSA,N,DG(17:0/0:0/i-15:0),ZUTFCHXXOIPCOT-XIFFEERXSA-N
HMDB93774,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-13-14-15-19-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-17-16-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m1/s1",JGDBYXVODKKOQW,ZHZZGXISSA,N,DG(17:0/a-15:0/0:0),JGDBYXVODKKOQW-ZHZZGXISSA-N
HMDB93775,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-13-14-15-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-16-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m0/s1",LSMVLVYVQRJFKW,OBOZPERJSA,N,DG(17:0/0:0/a-15:0),LSMVLVYVQRJFKW-OBOZPERJSA-N
HMDB93776,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-5-31(3)25-21-17-13-9-7-8-10-15-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-12-11-14-18-22-26-32(4)6-2/h31-33,36H,5-30H2,1-4H3/t31?,32?,33-/m1/s1",ZPZLSTLRKGBTJP,OXLCSVRNSA,N,DG(a-17:0/a-15:0/0:0),ZPZLSTLRKGBTJP-OXLCSVRNSA-N
HMDB93777,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-5-31(3)25-21-17-13-9-7-8-10-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-11-14-18-22-26-32(4)6-2/h31-33,36H,5-30H2,1-4H3/t31?,32?,33-/m0/s1",QGZGSEGNOFWBDX,PJUZOBRJSA,N,DG(a-17:0/0:0/a-15:0),QGZGSEGNOFWBDX-PJUZOBRJSA-N
HMDB93778,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1",DZVVRJMMIWLPPO,UUWRZZSWSA,N,DG(17:0/16:0/0:0),DZVVRJMMIWLPPO-UUWRZZSWSA-N
HMDB93779,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1",XZIJXGWQTNCJCA,UUWRZZSWSA,N,DG(17:0/0:0/16:0),XZIJXGWQTNCJCA-UUWRZZSWSA-N
HMDB93780,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-14-18-21-24-27-30-36(39)41-34(31-37)32-40-35(38)29-26-23-20-17-15-12-13-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",NWJCZGMFZAITFZ,UUWRZZSWSA,N,DG(i-17:0/16:0/0:0),NWJCZGMFZAITFZ-UUWRZZSWSA-N
HMDB93781,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-15-12-13-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",PBWZLOWJZXMQOI,UUWRZZSWSA,N,DG(i-17:0/0:0/16:0),PBWZLOWJZXMQOI-UUWRZZSWSA-N
HMDB93782,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-15-11-7-9-12-16-20-24-28-35(38)40-31-34(30-37)41-36(39)29-25-21-17-13-8-6-10-14-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m1/s1",AXAXXAHDIBELIQ,MUADHRSZSA,N,DG(a-17:0/i-16:0/0:0),AXAXXAHDIBELIQ-MUADHRSZSA-N
HMDB93783,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-15-11-7-9-13-17-21-25-29-36(39)41-31-34(37)30-40-35(38)28-24-20-16-12-8-6-10-14-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m1/s1",IFDQUUPRXNQPKH,MUADHRSZSA,N,DG(a-17:0/0:0/i-16:0),IFDQUUPRXNQPKH-MUADHRSZSA-N
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HMDB93907,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-5-31(4)25-21-17-14-15-19-23-27-34(37)39-29-32(35)28-38-33(36)26-22-18-13-11-9-7-6-8-10-12-16-20-24-30(2)3/h30-32,35H,5-29H2,1-4H3/t31?,32-/m0/s1",KEJYYPRLISVUBL,JYUUXGOASA,N,DG(i-18:0/0:0/a-13:0),KEJYYPRLISVUBL-JYUUXGOASA-N
HMDB93908,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-9-7-5-6-8-10-14-18-22-26-33(36)38-29-32(28-35)39-34(37)27-23-19-15-11-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",HVILBKMGJZMHKO,JGCGQSQUSA,N,DG(i-18:0/i-13:0/0:0),HVILBKMGJZMHKO-JGCGQSQUSA-N
HMDB93909,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-9-7-5-6-8-10-14-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-11-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1",NEAALZMBJMPLCL,YTTGMZPUSA,N,DG(i-18:0/0:0/i-13:0),NEAALZMBJMPLCL-YTTGMZPUSA-N
HMDB93910,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-16-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",BDKLOALPQDMDAR,JGCGQSQUSA,N,DG(18:0/i-13:0/0:0),BDKLOALPQDMDAR-JGCGQSQUSA-N
HMDB93911,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m0/s1",LMBNUTOGCAEHKI,YTTGMZPUSA,N,DG(18:0/0:0/i-13:0),LMBNUTOGCAEHKI-YTTGMZPUSA-N
HMDB93912,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-18-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m1/s1",GSTCPYRHKUMGPY,IADGFXSZSA,N,DG(18:0/a-13:0/0:0),GSTCPYRHKUMGPY-IADGFXSZSA-N
HMDB93913,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C34H66O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-18-20-23-26-31(3)5-2/h31-32,35H,4-30H2,1-3H3/t31?,32-/m0/s1",WVLQIQYRWNQJBQ,JYUUXGOASA,N,DG(18:0/0:0/a-13:0),WVLQIQYRWNQJBQ-JYUUXGOASA-N
HMDB93914,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",CUNPTVLPBLDLDS,MGBGTMOVSA,N,DG(18:0/0:0/14:0),CUNPTVLPBLDLDS-MGBGTMOVSA-N
HMDB93915,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-12-17-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-16-14-11-10-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",FSLQKXNDTXXPCE,MGBGTMOVSA,N,DG(i-18:0/14:0/0:0),FSLQKXNDTXXPCE-MGBGTMOVSA-N
HMDB93916,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-12-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-11-10-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",BFBJPGLGXAOAHY,MGBGTMOVSA,N,DG(i-18:0/0:0/14:0),BFBJPGLGXAOAHY-MGBGTMOVSA-N
HMDB93917,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-7-5-6-8-10-15-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-12-11-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",NCAHBKIODXTBJL,MGBGTMOVSA,N,DG(i-18:0/i-14:0/0:0),NCAHBKIODXTBJL-MGBGTMOVSA-N
HMDB93918,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-7-5-6-8-10-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-11-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m0/s1",VYPQZXPQMYPDFC,XIFFEERXSA,N,DG(i-18:0/0:0/i-14:0),VYPQZXPQMYPDFC-XIFFEERXSA-N
HMDB93919,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-17-16-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",JSLZOKIUMIRTMY,MGBGTMOVSA,N,DG(18:0/i-14:0/0:0),JSLZOKIUMIRTMY-MGBGTMOVSA-N
HMDB93920,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-16-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1",UIHWIPYOCFFZSQ,XIFFEERXSA,N,DG(18:0/0:0/i-14:0),UIHWIPYOCFFZSQ-XIFFEERXSA-N
HMDB93921,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1",LUQKIZTUDZZQSK,UUWRZZSWSA,N,DG(18:0/0:0/15:0),LUQKIZTUDZZQSK-UUWRZZSWSA-N
HMDB93922,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-14-18-21-24-27-30-36(39)41-34(31-37)32-40-35(38)29-26-23-20-17-15-12-11-13-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",OFVIBOMQMUXJAM,UUWRZZSWSA,N,DG(i-18:0/15:0/0:0),OFVIBOMQMUXJAM-UUWRZZSWSA-N
HMDB93923,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-14-17-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-15-12-11-13-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",IUDAFGBBPNEXJD,UUWRZZSWSA,N,DG(i-18:0/0:0/15:0),IUDAFGBBPNEXJD-UUWRZZSWSA-N
HMDB93924,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-15-12-13-17-21-25-29-36(39)41-34(30-37)31-40-35(38)28-24-20-16-11-9-7-6-8-10-14-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m1/s1",GIHDBJDPKINZFP,MUADHRSZSA,N,DG(i-18:0/a-15:0/0:0),GIHDBJDPKINZFP-MUADHRSZSA-N
HMDB93925,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-15-12-13-17-21-25-29-36(39)41-31-34(37)30-40-35(38)28-24-20-16-11-9-7-6-8-10-14-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m0/s1",YHGGUWCNYYHVBR,DNKZHYAASA,N,DG(i-18:0/0:0/a-15:0),YHGGUWCNYYHVBR-DNKZHYAASA-N
HMDB93926,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-10-7-5-6-8-12-16-20-24-28-35(38)40-31-34(30-37)41-36(39)29-25-21-17-13-9-11-15-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m1/s1",QDPALKPHFORCJJ,UUWRZZSWSA,N,DG(i-18:0/i-15:0/0:0),QDPALKPHFORCJJ-UUWRZZSWSA-N
HMDB93927,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-10-7-5-6-8-12-16-20-24-28-35(38)40-30-34(37)31-41-36(39)29-25-21-17-13-9-11-15-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m0/s1",MUZHXEBSHUCCQE,UMSFTDKQSA,N,DG(i-18:0/0:0/i-15:0),MUZHXEBSHUCCQE-UMSFTDKQSA-N
HMDB93928,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-18-15-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",VEZLACMLKJYHDT,UUWRZZSWSA,N,DG(18:0/i-15:0/0:0),VEZLACMLKJYHDT-UUWRZZSWSA-N
HMDB93929,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-15-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m0/s1",ZCEAIGVXZXTRNH,UMSFTDKQSA,N,DG(18:0/0:0/i-15:0),ZCEAIGVXZXTRNH-UMSFTDKQSA-N
HMDB93930,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-18-17-19-22-25-28-33(3)5-2/h33-34,37H,4-32H2,1-3H3/t33?,34-/m1/s1",XLVYQZFJNSWYLX,MUADHRSZSA,N,DG(18:0/a-15:0/0:0),XLVYQZFJNSWYLX-MUADHRSZSA-N
HMDB93931,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-17-19-22-25-28-33(3)5-2/h33-34,37H,4-32H2,1-3H3/t33?,34-/m0/s1",SWEGNZRGYFUZEN,DNKZHYAASA,N,DG(18:0/0:0/a-15:0),SWEGNZRGYFUZEN-DNKZHYAASA-N
HMDB93932,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m1/s1",BFTGWUUHOMAGPO,PGUFJCEWSA,N,DG(18:0/0:0/16:0),BFTGWUUHOMAGPO-PGUFJCEWSA-N
HMDB93933,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-16-19-22-25-28-31-37(40)42-35(32-38)33-41-36(39)30-27-24-21-18-15-13-12-14-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",FVBREYCVIBNRDG,PGUFJCEWSA,N,DG(i-18:0/16:0/0:0),FVBREYCVIBNRDG-PGUFJCEWSA-N
HMDB93934,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-15-18-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",NEJNJXREZFRTAR,PGUFJCEWSA,N,DG(i-18:0/0:0/16:0),NEJNJXREZFRTAR-PGUFJCEWSA-N
HMDB93935,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-33(2)27-23-19-15-11-7-5-6-8-13-17-21-25-29-36(39)41-32-35(31-38)42-37(40)30-26-22-18-14-10-9-12-16-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m1/s1",UHZAYGRLBGRZEB,PGUFJCEWSA,N,DG(i-18:0/i-16:0/0:0),UHZAYGRLBGRZEB-PGUFJCEWSA-N
HMDB93936,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-33(2)27-23-19-15-11-7-5-6-8-13-17-21-25-29-36(39)41-31-35(38)32-42-37(40)30-26-22-18-14-10-9-12-16-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m0/s1",RGTHKLCYKMYDDE,DHUJRADRSA,N,DG(i-18:0/0:0/i-16:0),RGTHKLCYKMYDDE-DHUJRADRSA-N
HMDB93937,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-36(39)41-33-35(32-38)42-37(40)31-28-25-22-19-16-15-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",ZPPDPYJXLRIXCI,PGUFJCEWSA,N,DG(18:0/i-16:0/0:0),ZPPDPYJXLRIXCI-PGUFJCEWSA-N
HMDB93938,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-16-15-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m0/s1",MRAFDBQWCXKQKT,DHUJRADRSA,N,DG(18:0/0:0/i-16:0),MRAFDBQWCXKQKT-DHUJRADRSA-N
HMDB93939,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,"InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3/t36-/m1/s1",OLYFBPSUAJWFCO,PSXMRANNSA,N,DG(18:0/17:0/0:0),OLYFBPSUAJWFCO-PSXMRANNSA-N
HMDB93940,610.553625483,C38H74O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3/t36-/m1/s1",WVRMROVZNACNBH,PSXMRANNSA,N,DG(18:0/0:0/17:0),WVRMROVZNACNBH-PSXMRANNSA-N
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HMDB94001,526.459725096,C32H62O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1S/C32H62O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-20-10-8-6-4-2/h30,33H,3-29H2,1-2H3/t30-/m1/s1",NEWGNTPUPSJKRI,SSEXGKCCSA,N,DG(19:0/10:0/0:0),NEWGNTPUPSJKRI-SSEXGKCCSA-N
HMDB94002,526.459725096,C32H62O5,[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C32H62O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-32(35)37-29-30(33)28-36-31(34)26-24-22-20-10-8-6-4-2/h30,33H,3-29H2,1-2H3/t30-/m1/s1",SHXRMGXSVKTPKZ,SSEXGKCCSA,N,DG(19:0/0:0/10:0),SHXRMGXSVKTPKZ-SSEXGKCCSA-N
HMDB94003,526.459725096,C32H62O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C32H62O5/c1-4-5-6-7-15-20-23-26-32(35)37-30(27-33)28-36-31(34)25-22-19-17-14-12-10-8-9-11-13-16-18-21-24-29(2)3/h29-30,33H,4-28H2,1-3H3/t30-/m1/s1",QGBHXWNSUXLQQU,SSEXGKCCSA,N,DG(i-19:0/10:0/0:0),QGBHXWNSUXLQQU-SSEXGKCCSA-N
HMDB94004,526.459725096,C32H62O5,[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C32H62O5/c1-4-5-6-7-15-19-22-25-31(34)36-27-30(33)28-37-32(35)26-23-20-17-14-12-10-8-9-11-13-16-18-21-24-29(2)3/h29-30,33H,4-28H2,1-3H3/t30-/m1/s1",WIZANRSZJWITID,SSEXGKCCSA,N,DG(i-19:0/0:0/10:0),WIZANRSZJWITID-SSEXGKCCSA-N
HMDB94005,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1S/C34H66O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-22-24-26-28-33(36)38-31-32(30-35)39-34(37)29-27-25-23-20-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m1/s1",YOZIINYKPARHHK,JGCGQSQUSA,N,DG(19:0/12:0/0:0),YOZIINYKPARHHK-JGCGQSQUSA-N
HMDB94006,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C34H66O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-20-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m1/s1",IKEYITQEXHZTFO,JGCGQSQUSA,N,DG(19:0/0:0/12:0),IKEYITQEXHZTFO-JGCGQSQUSA-N
HMDB94007,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C34H66O5/c1-4-5-6-7-8-14-19-22-25-28-34(37)39-32(29-35)30-38-33(36)27-24-21-18-16-13-11-9-10-12-15-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",WSKTZNHRVUXXEK,JGCGQSQUSA,N,DG(i-19:0/12:0/0:0),WSKTZNHRVUXXEK-JGCGQSQUSA-N
HMDB94008,554.491025225,C34H66O5,[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-14-18-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-16-13-11-9-10-12-15-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",OHJNCUXYIOGQIC,JGCGQSQUSA,N,DG(i-19:0/0:0/12:0),OHJNCUXYIOGQIC-JGCGQSQUSA-N
HMDB94009,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-10-8-6-5-7-9-11-13-18-22-26-33(36)38-29-32(28-35)39-34(37)27-23-19-15-14-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m1/s1",FRUCHKOMBDRDDF,JGCGQSQUSA,N,DG(i-19:0/i-12:0/0:0),FRUCHKOMBDRDDF-JGCGQSQUSA-N
HMDB94010,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-30(2)24-20-16-12-10-8-6-5-7-9-11-13-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-14-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1",FXWRDOMBYZVMHR,YTTGMZPUSA,N,DG(i-19:0/0:0/i-12:0),FXWRDOMBYZVMHR-YTTGMZPUSA-N
HMDB94011,554.491025225,C34H66O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-18-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m1/s1",UMNJEAYIXDTIEZ,JGCGQSQUSA,N,DG(19:0/i-12:0/0:0),UMNJEAYIXDTIEZ-JGCGQSQUSA-N
HMDB94012,554.491025225,C34H66O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C34H66O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-33(36)38-29-32(35)30-39-34(37)28-25-22-19-18-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m0/s1",RUTVLBIFTPWGQQ,YTTGMZPUSA,N,DG(19:0/0:0/i-12:0),RUTVLBIFTPWGQQ-YTTGMZPUSA-N
HMDB94013,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-21-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",ZVRSWZMPEHKSSK,MGBGTMOVSA,N,DG(19:0/13:0/0:0),ZVRSWZMPEHKSSK-MGBGTMOVSA-N
HMDB94014,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",IORWMNIGNJSVTI,MGBGTMOVSA,N,DG(19:0/0:0/13:0),IORWMNIGNJSVTI-MGBGTMOVSA-N
HMDB94015,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-16-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-17-14-12-10-11-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",VFKJYLBDYGUIHD,MGBGTMOVSA,N,DG(i-19:0/13:0/0:0),VFKJYLBDYGUIHD-MGBGTMOVSA-N
HMDB94016,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-12-10-11-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",SUWQQMNBMNLYJQ,MGBGTMOVSA,N,DG(i-19:0/0:0/13:0),SUWQQMNBMNLYJQ-MGBGTMOVSA-N
HMDB94017,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-15-16-20-24-28-35(38)40-33(29-36)30-39-34(37)27-23-19-14-12-10-8-6-7-9-11-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m1/s1",PPIFFPXHWKLDIX,ZHZZGXISSA,N,DG(i-19:0/a-13:0/0:0),PPIFFPXHWKLDIX-ZHZZGXISSA-N
HMDB94018,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-5-32(4)26-22-18-15-16-20-24-28-35(38)40-30-33(36)29-39-34(37)27-23-19-14-12-10-8-6-7-9-11-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m0/s1",AZOCBGQQTOCOKY,OBOZPERJSA,N,DG(i-19:0/0:0/a-13:0),AZOCBGQQTOCOKY-OBOZPERJSA-N
HMDB94019,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-10-8-6-5-7-9-11-15-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-12-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",GOHQFNRDUXSQMJ,MGBGTMOVSA,N,DG(i-19:0/i-13:0/0:0),GOHQFNRDUXSQMJ-MGBGTMOVSA-N
HMDB94020,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-10-8-6-5-7-9-11-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m0/s1",OLFZHWACUWQAAL,XIFFEERXSA,N,DG(i-19:0/0:0/i-13:0),OLFZHWACUWQAAL-XIFFEERXSA-N
HMDB94021,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-17-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",NFQHADYCUHNEKK,MGBGTMOVSA,N,DG(19:0/i-13:0/0:0),NFQHADYCUHNEKK-MGBGTMOVSA-N
HMDB94022,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1",SGNDPONZTCDTQO,XIFFEERXSA,N,DG(19:0/0:0/i-13:0),SGNDPONZTCDTQO-XIFFEERXSA-N
HMDB94023,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-19-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m1/s1",YEPGBEASTYOAAE,ZHZZGXISSA,N,DG(19:0/a-13:0/0:0),YEPGBEASTYOAAE-ZHZZGXISSA-N
HMDB94024,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-19-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m0/s1",LIUZSDZSQNOICX,OBOZPERJSA,N,DG(19:0/0:0/a-13:0),LIUZSDZSQNOICX-OBOZPERJSA-N
HMDB94025,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1",HSGLYGXLSVIJGP,UUWRZZSWSA,N,DG(19:0/14:0/0:0),HSGLYGXLSVIJGP-UUWRZZSWSA-N
HMDB94026,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1",QYWOWARCDQWHGO,UUWRZZSWSA,N,DG(19:0/0:0/14:0),QYWOWARCDQWHGO-UUWRZZSWSA-N
HMDB94027,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-13-18-21-24-27-30-36(39)41-34(31-37)32-40-35(38)29-26-23-20-17-15-12-10-11-14-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",UUTXBAPDVIHVHY,UUWRZZSWSA,N,DG(i-19:0/14:0/0:0),UUTXBAPDVIHVHY-UUWRZZSWSA-N
HMDB94028,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-13-17-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-15-12-10-11-14-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",SPMKEAXUVSZBQR,UUWRZZSWSA,N,DG(i-19:0/0:0/14:0),SPMKEAXUVSZBQR-UUWRZZSWSA-N
HMDB94029,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-10-8-6-5-7-9-11-16-20-24-28-35(38)40-31-34(30-37)41-36(39)29-25-21-17-13-12-15-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m1/s1",NGZVJLDPLVSRMX,UUWRZZSWSA,N,DG(i-19:0/i-14:0/0:0),NGZVJLDPLVSRMX-UUWRZZSWSA-N
HMDB94030,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-10-8-6-5-7-9-11-16-20-24-28-35(38)40-30-34(37)31-41-36(39)29-25-21-17-13-12-15-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m0/s1",HPKWEMWQHPWADP,UMSFTDKQSA,N,DG(i-19:0/0:0/i-14:0),HPKWEMWQHPWADP-UMSFTDKQSA-N
HMDB94031,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-18-17-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",QMMBCDQCQVBJCO,UUWRZZSWSA,N,DG(19:0/i-14:0/0:0),QMMBCDQCQVBJCO-UUWRZZSWSA-N
HMDB94032,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-17-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m0/s1",YTBCTDFPKQXYKB,UMSFTDKQSA,N,DG(19:0/0:0/i-14:0),YTBCTDFPKQXYKB-UMSFTDKQSA-N
HMDB94033,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m1/s1",IBJIUQWEIKGFNR,PGUFJCEWSA,N,DG(19:0/15:0/0:0),IBJIUQWEIKGFNR-PGUFJCEWSA-N
HMDB94034,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m1/s1",JTJJMNNXZDDEFJ,PGUFJCEWSA,N,DG(19:0/0:0/15:0),JTJJMNNXZDDEFJ-PGUFJCEWSA-N
HMDB94035,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-15-19-22-25-28-31-37(40)42-35(32-38)33-41-36(39)30-27-24-21-18-16-13-11-12-14-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",JDFCHYBGNYZNAB,PGUFJCEWSA,N,DG(i-19:0/15:0/0:0),JDFCHYBGNYZNAB-PGUFJCEWSA-N
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HMDB94041,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-36(39)41-33-35(32-38)42-37(40)31-28-25-22-19-16-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",FTEVWCONZBXNSH,PGUFJCEWSA,N,DG(19:0/i-15:0/0:0),FTEVWCONZBXNSH-PGUFJCEWSA-N
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HMDB94043,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-36(39)41-33-35(32-38)42-37(40)31-28-25-22-19-18-20-23-26-29-34(3)5-2/h34-35,38H,4-33H2,1-3H3/t34?,35-/m1/s1",OAVSPEJTZMAIOT,ICBMVRCQSA,N,DG(19:0/a-15:0/0:0),OAVSPEJTZMAIOT-ICBMVRCQSA-N
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HMDB94051,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-37(40)42-34-36(33-39)43-38(41)32-29-26-23-20-17-16-18-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m1/s1",MLKHHWUIECOJOZ,PSXMRANNSA,N,DG(19:0/i-16:0/0:0),MLKHHWUIECOJOZ-PSXMRANNSA-N
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HMDB94067,638.584925612,C40H78O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C40H78O5/c1-4-5-6-7-8-9-10-11-12-15-19-22-25-28-31-34-40(43)45-38(35-41)36-44-39(42)33-30-27-24-21-18-16-13-14-17-20-23-26-29-32-37(2)3/h37-38,41H,4-36H2,1-3H3/t38-/m1/s1",KCLCBNGLNAAEDG,KXQOOQHDSA,N,DG(i-19:0/18:0/0:0),KCLCBNGLNAAEDG-KXQOOQHDSA-N
HMDB94068,638.584925612,C40H78O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C40H78O5/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-39(42)44-35-38(41)36-45-40(43)34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-37(2)3/h37-38,41H,4-36H2,1-3H3/t38-/m1/s1",PWEZZVICKQYCMQ,KXQOOQHDSA,N,DG(i-19:0/0:0/18:0),PWEZZVICKQYCMQ-KXQOOQHDSA-N
HMDB94069,638.584925612,C40H78O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C40H78O5/c1-36(2)30-26-22-18-14-10-6-5-7-12-16-20-24-28-32-39(42)44-35-38(34-41)45-40(43)33-29-25-21-17-13-9-8-11-15-19-23-27-31-37(3)4/h36-38,41H,5-35H2,1-4H3/t38-/m1/s1",QOXAHTDNIXKAQJ,KXQOOQHDSA,N,DG(i-19:0/i-18:0/0:0),QOXAHTDNIXKAQJ-KXQOOQHDSA-N
HMDB94070,638.584925612,C40H78O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C40H78O5/c1-36(2)30-26-22-18-14-10-6-5-7-12-16-20-24-28-32-39(42)44-34-38(41)35-45-40(43)33-29-25-21-17-13-9-8-11-15-19-23-27-31-37(3)4/h36-38,41H,5-35H2,1-4H3/t38-/m0/s1",AWQRQXUYOMTEMY,LHEWISCISA,N,DG(i-19:0/0:0/i-18:0),AWQRQXUYOMTEMY-LHEWISCISA-N
HMDB94071,638.584925612,C40H78O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C40H78O5/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-33-39(42)44-36-38(35-41)45-40(43)34-31-28-25-22-19-16-15-17-20-23-26-29-32-37(2)3/h37-38,41H,4-36H2,1-3H3/t38-/m1/s1",ZQYFTPFDIISSDK,KXQOOQHDSA,N,DG(19:0/i-18:0/0:0),ZQYFTPFDIISSDK-KXQOOQHDSA-N
HMDB94072,638.584925612,C40H78O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C40H78O5/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-33-39(42)44-35-38(41)36-45-40(43)34-31-28-25-22-19-16-15-17-20-23-26-29-32-37(2)3/h37-38,41H,4-36H2,1-3H3/t38-/m0/s1",CVXHHUMBFKZZLP,LHEWISCISA,N,DG(19:0/0:0/i-18:0),CVXHHUMBFKZZLP-LHEWISCISA-N
HMDB94073,652.600575676,C41H80O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m1/s1",UNXQXIYZHULSKR,LDLOPFEMSA,N,DG(19:0/19:0/0:0),UNXQXIYZHULSKR-LDLOPFEMSA-N
HMDB94074,652.600575676,C41H80O5,[H]C(O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-39(42)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3",VSZCJVIEISRCQF,UHFFFAOYSA,N,DG(19:0/0:0/19:0),VSZCJVIEISRCQF-UHFFFAOYSA-N
HMDB94075,652.600575676,C41H80O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C41H80O5/c1-4-5-6-7-8-9-10-11-12-13-16-20-23-26-29-32-35-41(44)46-39(36-42)37-45-40(43)34-31-28-25-22-19-17-14-15-18-21-24-27-30-33-38(2)3/h38-39,42H,4-37H2,1-3H3/t39-/m1/s1",HAFLLMSZAQXSPB,LDLOPFEMSA,N,DG(i-19:0/19:0/0:0),HAFLLMSZAQXSPB-LDLOPFEMSA-N
HMDB94076,652.600575676,C41H80O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C41H80O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-34-40(43)45-36-39(42)37-46-41(44)35-32-29-26-23-20-17-14-15-18-21-24-27-30-33-38(2)3/h38-39,42H,4-37H2,1-3H3/t39-/m1/s1",CDBWZKTUOFSKIU,LDLOPFEMSA,N,DG(i-19:0/0:0/19:0),CDBWZKTUOFSKIU-LDLOPFEMSA-N
HMDB94077,652.600575676,C41H80O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C41H80O5/c1-37(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-40(43)45-36-39(35-42)46-41(44)34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(3)4/h37-39,42H,5-36H2,1-4H3/t39-/m1/s1",QFGRFHWYEFCAND,LDLOPFEMSA,N,DG(i-19:0/i-19:0/0:0),QFGRFHWYEFCAND-LDLOPFEMSA-N
HMDB94078,652.600575676,C41H80O5,[H]C(O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C41H80O5/c1-37(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-40(43)45-35-39(42)36-46-41(44)34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(3)4/h37-39,42H,5-36H2,1-4H3",DDQWRQLNMLLDHY,UHFFFAOYSA,N,DG(i-19:0/0:0/i-19:0),DDQWRQLNMLLDHY-UHFFFAOYSA-N
HMDB94079,652.600575676,C41H80O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C41H80O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-34-40(43)45-37-39(36-42)46-41(44)35-32-29-26-23-20-17-14-15-18-21-24-27-30-33-38(2)3/h38-39,42H,4-37H2,1-3H3/t39-/m1/s1",WITXECXSEIFUNR,LDLOPFEMSA,N,DG(19:0/i-19:0/0:0),WITXECXSEIFUNR-LDLOPFEMSA-N
HMDB94080,652.600575676,C41H80O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C41H80O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-34-40(43)45-36-39(42)37-46-41(44)35-32-29-26-23-20-17-14-15-18-21-24-27-30-33-38(2)3/h38-39,42H,4-37H2,1-3H3/t39-/m0/s1",CDBWZKTUOFSKIU,KDXMTYKHSA,N,DG(19:0/0:0/i-19:0),CDBWZKTUOFSKIU-KDXMTYKHSA-N
HMDB94081,666.61622574,C42H82O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C42H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40,43H,3-39H2,1-2H3/t40-/m1/s1",WOYQNYWDHIPWIB,RRHRGVEJSA,N,DG(19:0/20:0/0:0),WOYQNYWDHIPWIB-RRHRGVEJSA-N
HMDB94082,666.61622574,C42H82O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C42H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40,43H,3-39H2,1-2H3/t40-/m0/s1",BLDXLIVFHZSHMX,FAIXQHPJSA,N,DG(19:0/0:0/20:0),BLDXLIVFHZSHMX-FAIXQHPJSA-N
HMDB94083,666.61622574,C42H82O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C42H82O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-33-36-42(45)47-40(37-43)38-46-41(44)35-32-29-26-23-20-18-15-16-19-22-25-28-31-34-39(2)3/h39-40,43H,4-38H2,1-3H3/t40-/m1/s1",OQADXBNADCLFBH,RRHRGVEJSA,N,DG(i-19:0/20:0/0:0),OQADXBNADCLFBH-RRHRGVEJSA-N
HMDB94084,666.61622574,C42H82O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C42H82O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-29-32-35-41(44)46-37-40(43)38-47-42(45)36-33-30-27-24-21-18-15-16-19-22-25-28-31-34-39(2)3/h39-40,43H,4-38H2,1-3H3/t40-/m1/s1",XCBWDHZBZMKAHY,RRHRGVEJSA,N,DG(i-19:0/0:0/20:0),XCBWDHZBZMKAHY-RRHRGVEJSA-N
HMDB94085,666.61622574,C42H82O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C42H82O5/c1-38(2)32-28-24-20-16-12-8-5-6-10-15-19-23-27-31-35-42(45)47-40(36-43)37-46-41(44)34-30-26-22-18-14-11-7-9-13-17-21-25-29-33-39(3)4/h38-40,43H,5-37H2,1-4H3/t40-/m1/s1",NIKCDOCXSVRYBK,RRHRGVEJSA,N,DG(i-19:0/i-20:0/0:0),NIKCDOCXSVRYBK-RRHRGVEJSA-N
HMDB94086,666.61622574,C42H82O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C42H82O5/c1-38(2)32-28-24-20-16-12-8-5-6-10-14-18-22-26-30-34-41(44)46-36-40(43)37-47-42(45)35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-39(3)4/h38-40,43H,5-37H2,1-4H3/t40-/m1/s1",QUIVQTVKSPABFZ,RRHRGVEJSA,N,DG(i-19:0/0:0/i-20:0),QUIVQTVKSPABFZ-RRHRGVEJSA-N
HMDB94087,666.61622574,C42H82O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C42H82O5/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-32-35-41(44)46-38-40(37-43)47-42(45)36-33-30-27-24-21-18-15-14-16-19-22-25-28-31-34-39(2)3/h39-40,43H,4-38H2,1-3H3/t40-/m1/s1",ZMDMOVKGTDERLU,RRHRGVEJSA,N,DG(19:0/i-20:0/0:0),ZMDMOVKGTDERLU-RRHRGVEJSA-N
HMDB94088,666.61622574,C42H82O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C42H82O5/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-32-35-41(44)46-37-40(43)38-47-42(45)36-33-30-27-24-21-18-15-14-16-19-22-25-28-31-34-39(2)3/h39-40,43H,4-38H2,1-3H3/t40-/m0/s1",MWVZENPWSSDFSS,FAIXQHPJSA,N,DG(19:0/0:0/i-20:0),MWVZENPWSSDFSS-FAIXQHPJSA-N
HMDB94089,680.631875805,C43H84O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m1/s1",QHXRNBREWLEJEW,VQJSHJPSSA,N,DG(19:0/21:0/0:0),QHXRNBREWLEJEW-VQJSHJPSSA-N
HMDB94090,680.631875805,C43H84O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m0/s1",BPTSJAJINGBZIG,RWYGWLOXSA,N,DG(19:0/0:0/21:0),BPTSJAJINGBZIG-RWYGWLOXSA-N
HMDB94091,680.631875805,C43H84O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C43H84O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-25-28-31-34-37-43(46)48-41(38-44)39-47-42(45)36-33-30-27-24-21-19-16-17-20-23-26-29-32-35-40(2)3/h40-41,44H,4-39H2,1-3H3/t41-/m1/s1",FPLYKEAPHIDNOE,VQJSHJPSSA,N,DG(i-19:0/21:0/0:0),FPLYKEAPHIDNOE-VQJSHJPSSA-N
HMDB94092,680.631875805,C43H84O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C43H84O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-33-36-42(45)47-38-41(44)39-48-43(46)37-34-31-28-25-22-19-16-17-20-23-26-29-32-35-40(2)3/h40-41,44H,4-39H2,1-3H3/t41-/m1/s1",HGIUPWWVOZIKBT,VQJSHJPSSA,N,DG(i-19:0/0:0/21:0),HGIUPWWVOZIKBT-VQJSHJPSSA-N
HMDB94093,680.631875805,C43H84O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C43H84O5/c1-5-40(4)34-30-26-22-18-14-10-6-7-11-16-20-24-28-32-36-43(46)48-41(37-44)38-47-42(45)35-31-27-23-19-15-12-8-9-13-17-21-25-29-33-39(2)3/h39-41,44H,5-38H2,1-4H3/t40?,41-/m1/s1",KIFKJOSPYBVJMT,PUOOBJKZSA,N,DG(i-19:0/a-21:0/0:0),KIFKJOSPYBVJMT-PUOOBJKZSA-N
HMDB94094,680.631875805,C43H84O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C43H84O5/c1-5-40(4)34-30-26-22-18-14-10-6-7-11-15-19-23-27-31-35-42(45)47-37-41(44)38-48-43(46)36-32-28-24-20-16-12-8-9-13-17-21-25-29-33-39(2)3/h39-41,44H,5-38H2,1-4H3/t40?,41-/m1/s1",CPBIYZJAWMNFAP,PUOOBJKZSA,N,DG(i-19:0/0:0/a-21:0),CPBIYZJAWMNFAP-PUOOBJKZSA-N
HMDB94095,680.631875805,C43H84O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C43H84O5/c1-39(2)33-29-25-21-17-13-9-6-5-7-11-16-20-24-28-32-36-43(46)48-41(37-44)38-47-42(45)35-31-27-23-19-15-12-8-10-14-18-22-26-30-34-40(3)4/h39-41,44H,5-38H2,1-4H3/t41-/m1/s1",NCWYZNDWVPBTDM,VQJSHJPSSA,N,DG(i-19:0/i-21:0/0:0),NCWYZNDWVPBTDM-VQJSHJPSSA-N
HMDB94096,680.631875805,C43H84O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C43H84O5/c1-39(2)33-29-25-21-17-13-9-6-5-7-11-15-19-23-27-31-35-42(45)47-37-41(44)38-48-43(46)36-32-28-24-20-16-12-8-10-14-18-22-26-30-34-40(3)4/h39-41,44H,5-38H2,1-4H3/t41-/m1/s1",SCIQYEJLNZPJAD,VQJSHJPSSA,N,DG(i-19:0/0:0/i-21:0),SCIQYEJLNZPJAD-VQJSHJPSSA-N
HMDB94097,680.631875805,C43H84O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C43H84O5/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-36-42(45)47-39-41(38-44)48-43(46)37-34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-35-40(2)3/h40-41,44H,4-39H2,1-3H3/t41-/m1/s1",NBWHGGLABSQMIT,VQJSHJPSSA,N,DG(19:0/i-21:0/0:0),NBWHGGLABSQMIT-VQJSHJPSSA-N
HMDB94098,680.631875805,C43H84O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C43H84O5/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-36-42(45)47-38-41(44)39-48-43(46)37-34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-35-40(2)3/h40-41,44H,4-39H2,1-3H3/t41-/m0/s1",ZQWOPFGTMADWFT,RWYGWLOXSA,N,DG(19:0/0:0/i-21:0),ZQWOPFGTMADWFT-RWYGWLOXSA-N
HMDB94099,680.631875805,C43H84O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C43H84O5/c1-4-6-7-8-9-10-11-12-13-14-18-21-24-27-30-33-36-42(45)47-39-41(38-44)48-43(46)37-34-31-28-25-22-19-16-15-17-20-23-26-29-32-35-40(3)5-2/h40-41,44H,4-39H2,1-3H3/t40?,41-/m1/s1",CDYNQFFVJGUBQT,PUOOBJKZSA,N,DG(19:0/a-21:0/0:0),CDYNQFFVJGUBQT-PUOOBJKZSA-N
HMDB94100,680.631875805,C43H84O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C43H84O5/c1-4-6-7-8-9-10-11-12-13-14-18-21-24-27-30-33-36-42(45)47-38-41(44)39-48-43(46)37-34-31-28-25-22-19-16-15-17-20-23-26-29-32-35-40(3)5-2/h40-41,44H,4-39H2,1-3H3/t40?,41-/m0/s1",HOURITLCEXCMOP,ABUZLUSGSA,N,DG(19:0/0:0/a-21:0),HOURITLCEXCMOP-ABUZLUSGSA-N
HMDB94101,694.647525869,C44H86O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C44H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-42(40-45)41-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h42,45H,3-41H2,1-2H3/t42-/m1/s1",YIVXFUBFRMTVIZ,HUESYALOSA,N,DG(19:0/22:0/0:0),YIVXFUBFRMTVIZ-HUESYALOSA-N
HMDB94102,694.647525869,C44H86O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C44H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h42,45H,3-41H2,1-2H3/t42-/m0/s1",NNLARTZEFQWRDH,WBCKFURZSA,N,DG(19:0/0:0/22:0),NNLARTZEFQWRDH-WBCKFURZSA-N
HMDB94103,694.647525869,C44H86O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C44H86O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-35-38-44(47)49-42(39-45)40-48-43(46)37-34-31-28-25-22-20-17-18-21-24-27-30-33-36-41(2)3/h41-42,45H,4-40H2,1-3H3/t42-/m1/s1",IVYWXAPBPVZZIG,HUESYALOSA,N,DG(i-19:0/22:0/0:0),IVYWXAPBPVZZIG-HUESYALOSA-N
HMDB94104,694.647525869,C44H86O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C44H86O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-43(46)48-39-42(45)40-49-44(47)38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-41(2)3/h41-42,45H,4-40H2,1-3H3/t42-/m1/s1",GMQVVICQWDXRBO,HUESYALOSA,N,DG(i-19:0/0:0/22:0),GMQVVICQWDXRBO-HUESYALOSA-N
HMDB94105,694.647525869,C44H86O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C44H86O5/c1-40(2)34-30-26-22-18-14-10-7-5-6-8-12-17-21-25-29-33-37-44(47)49-42(38-45)39-48-43(46)36-32-28-24-20-16-13-9-11-15-19-23-27-31-35-41(3)4/h40-42,45H,5-39H2,1-4H3/t42-/m1/s1",FSTSDQVNXGECSV,HUESYALOSA,N,DG(i-19:0/i-22:0/0:0),FSTSDQVNXGECSV-HUESYALOSA-N
HMDB94106,694.647525869,C44H86O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C44H86O5/c1-40(2)34-30-26-22-18-14-10-7-5-6-8-12-16-20-24-28-32-36-43(46)48-38-42(45)39-49-44(47)37-33-29-25-21-17-13-9-11-15-19-23-27-31-35-41(3)4/h40-42,45H,5-39H2,1-4H3/t42-/m1/s1",SLPKHBBZHZSIKL,HUESYALOSA,N,DG(i-19:0/0:0/i-22:0),SLPKHBBZHZSIKL-HUESYALOSA-N
HMDB94107,694.647525869,C44H86O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C44H86O5/c1-4-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34-37-43(46)48-40-42(39-45)49-44(47)38-35-32-29-26-23-20-17-14-13-15-18-21-24-27-30-33-36-41(2)3/h41-42,45H,4-40H2,1-3H3/t42-/m1/s1",IGXBFJHVGJJSAC,HUESYALOSA,N,DG(19:0/i-22:0/0:0),IGXBFJHVGJJSAC-HUESYALOSA-N
HMDB94108,694.647525869,C44H86O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C44H86O5/c1-4-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34-37-43(46)48-39-42(45)40-49-44(47)38-35-32-29-26-23-20-17-14-13-15-18-21-24-27-30-33-36-41(2)3/h41-42,45H,4-40H2,1-3H3/t42-/m0/s1",HTDMKLFYPSCGSZ,WBCKFURZSA,N,DG(19:0/0:0/i-22:0),HTDMKLFYPSCGSZ-WBCKFURZSA-N
HMDB94109,722.678825998,C46H90O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C46H90O5/c1-42(2)36-32-28-24-20-16-12-9-7-5-6-8-10-14-19-23-27-31-35-39-46(49)51-44(40-47)41-50-45(48)38-34-30-26-22-18-15-11-13-17-21-25-29-33-37-43(3)4/h42-44,47H,5-41H2,1-4H3/t44-/m1/s1",JXAYYNOPHYLAQR,USYZEHPZSA,N,DG(i-19:0/i-24:0/0:0),JXAYYNOPHYLAQR-USYZEHPZSA-N
HMDB94110,722.678825998,C46H90O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C46H90O5/c1-42(2)36-32-28-24-20-16-12-9-7-5-6-8-10-14-18-22-26-30-34-38-45(48)50-40-44(47)41-51-46(49)39-35-31-27-23-19-15-11-13-17-21-25-29-33-37-43(3)4/h42-44,47H,5-41H2,1-4H3/t44-/m1/s1",OJYGZDLOABVXCJ,USYZEHPZSA,N,DG(i-19:0/0:0/i-24:0),OJYGZDLOABVXCJ-USYZEHPZSA-N
HMDB94111,722.678825998,C46H90O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C46H90O5/c1-4-5-6-7-8-9-10-11-12-18-21-24-27-30-33-36-39-45(48)50-42-44(41-47)51-46(49)40-37-34-31-28-25-22-19-16-14-13-15-17-20-23-26-29-32-35-38-43(2)3/h43-44,47H,4-42H2,1-3H3/t44-/m1/s1",MNYFZGPVKLQEER,USYZEHPZSA,N,DG(19:0/i-24:0/0:0),MNYFZGPVKLQEER-USYZEHPZSA-N
HMDB94112,722.678825998,C46H90O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C46H90O5/c1-4-5-6-7-8-9-10-11-12-18-21-24-27-30-33-36-39-45(48)50-41-44(47)42-51-46(49)40-37-34-31-28-25-22-19-16-14-13-15-17-20-23-26-29-32-35-38-43(2)3/h43-44,47H,4-42H2,1-3H3/t44-/m0/s1",PEBHWWPTOUVKPK,SJARJILFSA,N,DG(19:0/0:0/i-24:0),PEBHWWPTOUVKPK-SJARJILFSA-N
HMDB94113,736.694476062,C47H92O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C47H92O5/c1-5-44(4)38-34-30-26-22-18-14-10-8-6-7-9-11-15-20-24-28-32-36-40-47(50)52-45(41-48)42-51-46(49)39-35-31-27-23-19-16-12-13-17-21-25-29-33-37-43(2)3/h43-45,48H,5-42H2,1-4H3/t44?,45-/m1/s1",FHRYIHZBPKKHJW,BWSSJUFOSA,N,DG(i-19:0/a-25:0/0:0),FHRYIHZBPKKHJW-BWSSJUFOSA-N
HMDB94114,736.694476062,C47H92O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C47H92O5/c1-5-44(4)38-34-30-26-22-18-14-10-8-6-7-9-11-15-19-23-27-31-35-39-46(49)51-41-45(48)42-52-47(50)40-36-32-28-24-20-16-12-13-17-21-25-29-33-37-43(2)3/h43-45,48H,5-42H2,1-4H3/t44?,45-/m1/s1",ZTGNMMOUHHHIDP,BWSSJUFOSA,N,DG(i-19:0/0:0/a-25:0),ZTGNMMOUHHHIDP-BWSSJUFOSA-N
HMDB94115,736.694476062,C47H92O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C47H92O5/c1-4-6-7-8-9-10-11-12-13-19-22-25-28-31-34-37-40-46(49)51-43-45(42-48)52-47(50)41-38-35-32-29-26-23-20-17-15-14-16-18-21-24-27-30-33-36-39-44(3)5-2/h44-45,48H,4-43H2,1-3H3/t44?,45-/m1/s1",OVKDSSBODYZISC,BWSSJUFOSA,N,DG(19:0/a-25:0/0:0),OVKDSSBODYZISC-BWSSJUFOSA-N
HMDB94116,736.694476062,C47H92O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C47H92O5/c1-4-6-7-8-9-10-11-12-13-19-22-25-28-31-34-37-40-46(49)51-42-45(48)43-52-47(50)41-38-35-32-29-26-23-20-17-15-14-16-18-21-24-27-30-33-36-39-44(3)5-2/h44-45,48H,4-43H2,1-3H3/t44?,45-/m0/s1",ZUCWXJHPLJBPPK,AXFIPLKASA,N,DG(19:0/0:0/a-25:0),ZUCWXJHPLJBPPK-AXFIPLKASA-N
HMDB94117,512.444075032,C31H60O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,"InChI=1S/C31H60O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-23-25-30(33)35-28-29(27-32)36-31(34)26-24-21-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m1/s1",KROOFOIWVUCCSW,GDLZYMKVSA,N,DG(20:0/8:0/0:0),KROOFOIWVUCCSW-GDLZYMKVSA-N
HMDB94118,512.444075032,C31H60O5,[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C31H60O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26-31(34)36-28-29(32)27-35-30(33)25-23-21-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m1/s1",LZECJHXDLUTBKK,GDLZYMKVSA,N,DG(20:0/0:0/8:0),LZECJHXDLUTBKK-GDLZYMKVSA-N
HMDB94119,512.444075032,C31H60O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,"InChI=1S/C31H60O5/c1-4-5-6-17-22-25-31(34)36-29(26-32)27-35-30(33)24-21-19-16-14-12-10-8-7-9-11-13-15-18-20-23-28(2)3/h28-29,32H,4-27H2,1-3H3/t29-/m1/s1",IXMBNFNNAAMIHB,GDLZYMKVSA,N,DG(i-20:0/8:0/0:0),IXMBNFNNAAMIHB-GDLZYMKVSA-N
HMDB94120,512.444075032,C31H60O5,[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C31H60O5/c1-4-5-6-17-21-24-30(33)35-26-29(32)27-36-31(34)25-22-19-16-14-12-10-8-7-9-11-13-15-18-20-23-28(2)3/h28-29,32H,4-27H2,1-3H3/t29-/m1/s1",DPDRVELFFXLBKF,GDLZYMKVSA,N,DG(i-20:0/0:0/8:0),DPDRVELFFXLBKF-GDLZYMKVSA-N
HMDB94121,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1S/C33H64O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-21-10-8-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m1/s1",BSNGACXGKDFWET,WJOKGBTCSA,N,DG(20:0/10:0/0:0),BSNGACXGKDFWET-WJOKGBTCSA-N
HMDB94122,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C33H64O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-10-8-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m1/s1",LABBOHKBEQMQRA,WJOKGBTCSA,N,DG(20:0/0:0/10:0),LABBOHKBEQMQRA-WJOKGBTCSA-N
HMDB94123,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C33H64O5/c1-4-5-6-7-16-21-24-27-33(36)38-31(28-34)29-37-32(35)26-23-20-18-15-13-11-9-8-10-12-14-17-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",VSRQLCZZFYMZIO,WJOKGBTCSA,N,DG(i-20:0/10:0/0:0),VSRQLCZZFYMZIO-WJOKGBTCSA-N
HMDB94124,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-7-16-20-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-15-13-11-9-8-10-12-14-17-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",ABJKQFPMJBCNIR,WJOKGBTCSA,N,DG(i-20:0/0:0/10:0),ABJKQFPMJBCNIR-WJOKGBTCSA-N
HMDB94125,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-21-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",POIMJZUYMUGHPM,MGBGTMOVSA,N,DG(20:0/12:0/0:0),POIMJZUYMUGHPM-MGBGTMOVSA-N
HMDB94126,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",WRAZDLLGTRMPBL,MGBGTMOVSA,N,DG(20:0/0:0/12:0),WRAZDLLGTRMPBL-MGBGTMOVSA-N
HMDB94127,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C35H68O5/c1-4-5-6-7-8-15-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-17-14-12-10-9-11-13-16-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",XLUNRJLHSJABNU,MGBGTMOVSA,N,DG(i-20:0/12:0/0:0),XLUNRJLHSJABNU-MGBGTMOVSA-N
HMDB94128,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-15-19-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-14-12-10-9-11-13-16-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",GYPMFSSFAPLRJF,MGBGTMOVSA,N,DG(i-20:0/0:0/12:0),GYPMFSSFAPLRJF-MGBGTMOVSA-N
HMDB94129,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-11-9-7-5-6-8-10-12-14-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-15-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1",KRQMATMONQTCKW,MGBGTMOVSA,N,DG(i-20:0/i-12:0/0:0),KRQMATMONQTCKW-MGBGTMOVSA-N
HMDB94130,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-31(2)25-21-17-13-11-9-7-5-6-8-10-12-14-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-15-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m0/s1",WLUOOYCDGNLRAM,XIFFEERXSA,N,DG(i-20:0/0:0/i-12:0),WLUOOYCDGNLRAM-XIFFEERXSA-N
HMDB94131,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-19-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",YSALGHXAHAGLGK,MGBGTMOVSA,N,DG(20:0/i-12:0/0:0),YSALGHXAHAGLGK-MGBGTMOVSA-N
HMDB94132,568.50667529,C35H68O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-19-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1",KLOWESKCHNOSOH,XIFFEERXSA,N,DG(20:0/0:0/i-12:0),KLOWESKCHNOSOH-XIFFEERXSA-N
HMDB94133,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-22-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1",UQXYFDGOTGZPKH,UUWRZZSWSA,N,DG(20:0/13:0/0:0),UQXYFDGOTGZPKH-UUWRZZSWSA-N
HMDB94134,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1",MZENSGMIXWYPRC,UUWRZZSWSA,N,DG(20:0/0:0/13:0),MZENSGMIXWYPRC-UUWRZZSWSA-N
HMDB94135,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-17-21-24-27-30-36(39)41-34(31-37)32-40-35(38)29-26-23-20-18-15-13-11-10-12-14-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",BOORMCHNEXEOJT,UUWRZZSWSA,N,DG(i-20:0/13:0/0:0),BOORMCHNEXEOJT-UUWRZZSWSA-N
HMDB94136,582.522325354,C36H70O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-17-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-15-13-11-10-12-14-16-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",AXKYGNZYCKVAGV,UUWRZZSWSA,N,DG(i-20:0/0:0/13:0),AXKYGNZYCKVAGV-UUWRZZSWSA-N
HMDB94137,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-16-17-21-25-29-36(39)41-34(30-37)31-40-35(38)28-24-20-15-13-11-9-7-6-8-10-12-14-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m1/s1",BLFHMKHZINQMGR,MUADHRSZSA,N,DG(i-20:0/a-13:0/0:0),BLFHMKHZINQMGR-MUADHRSZSA-N
HMDB94138,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-5-33(4)27-23-19-16-17-21-25-29-36(39)41-31-34(37)30-40-35(38)28-24-20-15-13-11-9-7-6-8-10-12-14-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m0/s1",GOVIYUDVZORZRH,DNKZHYAASA,N,DG(i-20:0/0:0/a-13:0),GOVIYUDVZORZRH-DNKZHYAASA-N
HMDB94139,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-11-9-7-5-6-8-10-12-16-20-24-28-35(38)40-31-34(30-37)41-36(39)29-25-21-17-13-15-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m1/s1",RUCQUVXWPLAYLJ,UUWRZZSWSA,N,DG(i-20:0/i-13:0/0:0),RUCQUVXWPLAYLJ-UUWRZZSWSA-N
HMDB94140,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-32(2)26-22-18-14-11-9-7-5-6-8-10-12-16-20-24-28-35(38)40-30-34(37)31-41-36(39)29-25-21-17-13-15-19-23-27-33(3)4/h32-34,37H,5-31H2,1-4H3/t34-/m0/s1",FWKQXNRKDNEMDR,UMSFTDKQSA,N,DG(i-20:0/0:0/i-13:0),FWKQXNRKDNEMDR-UMSFTDKQSA-N
HMDB94141,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-18-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m1/s1",OGUIYFZDPHRMIG,UUWRZZSWSA,N,DG(20:0/i-13:0/0:0),OGUIYFZDPHRMIG-UUWRZZSWSA-N
HMDB94142,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C36H70O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-18-19-22-25-28-33(2)3/h33-34,37H,4-32H2,1-3H3/t34-/m0/s1",MAUGUZREKNEXFK,UMSFTDKQSA,N,DG(20:0/0:0/i-13:0),MAUGUZREKNEXFK-UMSFTDKQSA-N
HMDB94143,582.522325354,C36H70O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-20-22-25-28-33(3)5-2/h33-34,37H,4-32H2,1-3H3/t33?,34-/m1/s1",CBPFHPMVCMVBJR,MUADHRSZSA,N,DG(20:0/a-13:0/0:0),CBPFHPMVCMVBJR-MUADHRSZSA-N
HMDB94144,582.522325354,C36H70O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C36H70O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-35(38)40-31-34(37)32-41-36(39)30-27-24-21-20-22-25-28-33(3)5-2/h33-34,37H,4-32H2,1-3H3/t33?,34-/m0/s1",YHPFXFOZKRZLOJ,DNKZHYAASA,N,DG(20:0/0:0/a-13:0),YHPFXFOZKRZLOJ-DNKZHYAASA-N
HMDB94145,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m1/s1",CHCMVIYQYAURFF,PGUFJCEWSA,N,DG(20:0/0:0/14:0),CHCMVIYQYAURFF-PGUFJCEWSA-N
HMDB94146,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-14-19-22-25-28-31-37(40)42-35(32-38)33-41-36(39)30-27-24-21-18-16-13-11-10-12-15-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",FATWQIIBJDQHHA,PGUFJCEWSA,N,DG(i-20:0/14:0/0:0),FATWQIIBJDQHHA-PGUFJCEWSA-N
HMDB94147,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-14-18-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-16-13-11-10-12-15-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",ZRCPCHAYKRURDO,PGUFJCEWSA,N,DG(i-20:0/0:0/14:0),ZRCPCHAYKRURDO-PGUFJCEWSA-N
HMDB94148,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-33(2)27-23-19-15-11-9-7-5-6-8-10-12-17-21-25-29-36(39)41-32-35(31-38)42-37(40)30-26-22-18-14-13-16-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m1/s1",VCANDCSDDGTNOG,PGUFJCEWSA,N,DG(i-20:0/i-14:0/0:0),VCANDCSDDGTNOG-PGUFJCEWSA-N
HMDB94149,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-33(2)27-23-19-15-11-9-7-5-6-8-10-12-17-21-25-29-36(39)41-31-35(38)32-42-37(40)30-26-22-18-14-13-16-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m0/s1",BRWGLQYJOZNWSE,DHUJRADRSA,N,DG(i-20:0/0:0/i-14:0),BRWGLQYJOZNWSE-DHUJRADRSA-N
HMDB94150,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-36(39)41-33-35(32-38)42-37(40)31-28-25-22-19-18-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",IJADGGLNJMMJFW,PGUFJCEWSA,N,DG(20:0/i-14:0/0:0),IJADGGLNJMMJFW-PGUFJCEWSA-N
HMDB94151,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-18-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m0/s1",PIBMOKJKJUDHJL,DHUJRADRSA,N,DG(20:0/0:0/i-14:0),PIBMOKJKJUDHJL-DHUJRADRSA-N
HMDB94152,610.553625483,C38H74O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3/t36-/m1/s1",AFAJCLFXJMJOQV,PSXMRANNSA,N,DG(20:0/0:0/15:0),AFAJCLFXJMJOQV-PSXMRANNSA-N
HMDB94153,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,"InChI=1S/C38H74O5/c1-4-5-6-7-8-9-10-16-20-23-26-29-32-38(41)43-36(33-39)34-42-37(40)31-28-25-22-19-17-14-12-11-13-15-18-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m1/s1",IRSLLNGJBIBLIC,PSXMRANNSA,N,DG(i-20:0/15:0/0:0),IRSLLNGJBIBLIC-PSXMRANNSA-N
HMDB94154,610.553625483,C38H74O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-4-5-6-7-8-9-10-16-19-22-25-28-31-37(40)42-33-36(39)34-43-38(41)32-29-26-23-20-17-14-12-11-13-15-18-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m1/s1",DIVKBGUBDUCFNA,PSXMRANNSA,N,DG(i-20:0/0:0/15:0),DIVKBGUBDUCFNA-PSXMRANNSA-N
HMDB94155,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C38H74O5/c1-5-35(4)29-25-21-17-14-15-19-23-27-31-38(41)43-36(32-39)33-42-37(40)30-26-22-18-13-11-9-7-6-8-10-12-16-20-24-28-34(2)3/h34-36,39H,5-33H2,1-4H3/t35?,36-/m1/s1",ABUFZZDNLVIYBR,BEBVUIBBSA,N,DG(i-20:0/a-15:0/0:0),ABUFZZDNLVIYBR-BEBVUIBBSA-N
HMDB94156,610.553625483,C38H74O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C38H74O5/c1-5-35(4)29-25-21-17-14-15-19-23-27-31-38(41)43-33-36(39)32-42-37(40)30-26-22-18-13-11-9-7-6-8-10-12-16-20-24-28-34(2)3/h34-36,39H,5-33H2,1-4H3/t35?,36-/m0/s1",ADMYQRJBOGNARV,UHBYFKDRSA,N,DG(i-20:0/0:0/a-15:0),ADMYQRJBOGNARV-UHBYFKDRSA-N
HMDB94157,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-34(2)28-24-20-16-12-9-7-5-6-8-10-14-18-22-26-30-37(40)42-33-36(32-39)43-38(41)31-27-23-19-15-11-13-17-21-25-29-35(3)4/h34-36,39H,5-33H2,1-4H3/t36-/m1/s1",RMFDNNAHCCEMJI,PSXMRANNSA,N,DG(i-20:0/i-15:0/0:0),RMFDNNAHCCEMJI-PSXMRANNSA-N
HMDB94158,610.553625483,C38H74O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-34(2)28-24-20-16-12-9-7-5-6-8-10-14-18-22-26-30-37(40)42-32-36(39)33-43-38(41)31-27-23-19-15-11-13-17-21-25-29-35(3)4/h34-36,39H,5-33H2,1-4H3/t36-/m0/s1",JTWZKOJCIGCHTR,BHVANESWSA,N,DG(i-20:0/0:0/i-15:0),JTWZKOJCIGCHTR-BHVANESWSA-N
HMDB94159,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-37(40)42-34-36(33-39)43-38(41)32-29-26-23-20-17-18-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m1/s1",SHGQNVNOAPRCQJ,PSXMRANNSA,N,DG(20:0/i-15:0/0:0),SHGQNVNOAPRCQJ-PSXMRANNSA-N
HMDB94160,610.553625483,C38H74O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-37(40)42-33-36(39)34-43-38(41)32-29-26-23-20-17-18-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m0/s1",XDNIUFIRGBWBIL,BHVANESWSA,N,DG(20:0/0:0/i-15:0),XDNIUFIRGBWBIL-BHVANESWSA-N
HMDB94161,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,"InChI=1S/C38H74O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-37(40)42-34-36(33-39)43-38(41)32-29-26-23-20-19-21-24-27-30-35(3)5-2/h35-36,39H,4-34H2,1-3H3/t35?,36-/m1/s1",FHOCKYCAVLMUKY,BEBVUIBBSA,N,DG(20:0/a-15:0/0:0),FHOCKYCAVLMUKY-BEBVUIBBSA-N
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HMDB94255,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-18-22-25-28-31-37(40)42-35(32-38)33-41-36(39)30-27-24-21-19-16-14-12-10-11-13-15-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",HYOILODFZAYXOQ,PGUFJCEWSA,N,DG(i-21:0/13:0/0:0),HYOILODFZAYXOQ-PGUFJCEWSA-N
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HMDB94258,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-5-34(4)28-24-20-16-12-10-8-6-7-9-11-13-17-21-25-29-36(39)41-31-35(38)32-42-37(40)30-26-22-18-14-15-19-23-27-33(2)3/h33-35,38H,5-32H2,1-4H3/t34?,35-/m0/s1",WCRYSPBMBGQMND,HTIIIDOHSA,N,DG(a-21:0/0:0/i-13:0),WCRYSPBMBGQMND-HTIIIDOHSA-N
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HMDB94260,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-5-34(4)28-24-20-17-18-22-26-30-37(40)42-32-35(38)31-41-36(39)29-25-21-16-14-12-10-8-6-7-9-11-13-15-19-23-27-33(2)3/h33-35,38H,5-32H2,1-4H3/t34?,35-/m0/s1",JSYNQLODYHDHJF,HTIIIDOHSA,N,DG(i-21:0/0:0/a-13:0),JSYNQLODYHDHJF-HTIIIDOHSA-N
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HMDB94262,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-4-6-7-8-9-10-18-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-16-14-12-11-13-15-17-20-23-26-29-34(3)5-2/h34-35,38H,4-33H2,1-3H3/t34?,35-/m1/s1",HKSKSQPVKYMZBT,ICBMVRCQSA,N,DG(a-21:0/0:0/13:0),HKSKSQPVKYMZBT-ICBMVRCQSA-N
HMDB94263,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-33(2)27-23-19-15-12-10-8-6-5-7-9-11-13-17-21-25-29-36(39)41-32-35(31-38)42-37(40)30-26-22-18-14-16-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m1/s1",KXSKMABRTMSQDG,PGUFJCEWSA,N,DG(i-21:0/i-13:0/0:0),KXSKMABRTMSQDG-PGUFJCEWSA-N
HMDB94264,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-33(2)27-23-19-15-12-10-8-6-5-7-9-11-13-17-21-25-29-36(39)41-31-35(38)32-42-37(40)30-26-22-18-14-16-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m0/s1",SYWPPGGDUKVEHF,DHUJRADRSA,N,DG(i-21:0/0:0/i-13:0),SYWPPGGDUKVEHF-DHUJRADRSA-N
HMDB94265,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-36(39)41-33-35(32-38)42-37(40)31-28-25-22-19-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",OPEQSRJFAKWOLF,PGUFJCEWSA,N,DG(21:0/i-13:0/0:0),OPEQSRJFAKWOLF-PGUFJCEWSA-N
HMDB94266,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m0/s1",HTZRLINGBGPXTM,DHUJRADRSA,N,DG(21:0/0:0/i-13:0),HTZRLINGBGPXTM-DHUJRADRSA-N
HMDB94267,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-36(39)41-33-35(32-38)42-37(40)31-28-25-22-21-23-26-29-34(3)5-2/h34-35,38H,4-33H2,1-3H3/t34?,35-/m1/s1",CQCYEWKYVXCXAS,ICBMVRCQSA,N,DG(21:0/a-13:0/0:0),CQCYEWKYVXCXAS-ICBMVRCQSA-N
HMDB94268,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-21-23-26-29-34(3)5-2/h34-35,38H,4-33H2,1-3H3/t34?,35-/m0/s1",QKFDAOCJGXGSGV,HTIIIDOHSA,N,DG(21:0/0:0/a-13:0),QKFDAOCJGXGSGV-HTIIIDOHSA-N
HMDB94269,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-5-33(3)27-23-19-15-13-11-9-7-8-10-12-14-16-21-25-29-36(39)41-32-35(31-38)42-37(40)30-26-22-18-17-20-24-28-34(4)6-2/h33-35,38H,5-32H2,1-4H3/t33?,34?,35-/m1/s1",BTIDBOGHDJXCAF,KOZIHUGVSA,N,DG(a-21:0/a-13:0/0:0),BTIDBOGHDJXCAF-KOZIHUGVSA-N
HMDB94270,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C37H72O5/c1-5-33(3)27-23-19-15-13-11-9-7-8-10-12-14-16-21-25-29-36(39)41-31-35(38)32-42-37(40)30-26-22-18-17-20-24-28-34(4)6-2/h33-35,38H,5-32H2,1-4H3/t33?,34?,35-/m0/s1",JFUALYZCHYWPPG,YLNHBKTGSA,N,DG(a-21:0/0:0/a-13:0),JFUALYZCHYWPPG-YLNHBKTGSA-N
HMDB94271,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3/t36-/m1/s1",RKYYRZNKCITBHA,PSXMRANNSA,N,DG(21:0/14:0/0:0),RKYYRZNKCITBHA-PSXMRANNSA-N
HMDB94272,610.553625483,C38H74O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3/t36-/m1/s1",BQZVKTUSHYOBRZ,PSXMRANNSA,N,DG(21:0/0:0/14:0),BQZVKTUSHYOBRZ-PSXMRANNSA-N
HMDB94273,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C38H74O5/c1-4-5-6-7-8-9-15-20-23-26-29-32-38(41)43-36(33-39)34-42-37(40)31-28-25-22-19-17-14-12-10-11-13-16-18-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m1/s1",PTVKIHFDQSACDJ,PSXMRANNSA,N,DG(i-21:0/14:0/0:0),PTVKIHFDQSACDJ-PSXMRANNSA-N
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HMDB94275,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-5-35(4)29-25-21-17-12-10-8-6-7-9-11-13-18-22-26-30-37(40)42-33-36(32-39)43-38(41)31-27-23-19-15-14-16-20-24-28-34(2)3/h34-36,39H,5-33H2,1-4H3/t35?,36-/m1/s1",WCCYWJJRLOCAHR,BEBVUIBBSA,N,DG(a-21:0/i-14:0/0:0),WCCYWJJRLOCAHR-BEBVUIBBSA-N
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HMDB94278,610.553625483,C38H74O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C38H74O5/c1-4-6-7-8-9-10-15-19-22-25-28-31-37(40)42-33-36(39)34-43-38(41)32-29-26-23-20-17-14-12-11-13-16-18-21-24-27-30-35(3)5-2/h35-36,39H,4-34H2,1-3H3/t35?,36-/m1/s1",UNHBJFNSXUXULS,BEBVUIBBSA,N,DG(a-21:0/0:0/14:0),UNHBJFNSXUXULS-BEBVUIBBSA-N
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HMDB94281,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-37(40)42-34-36(33-39)43-38(41)32-29-26-23-20-19-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m1/s1",UOJLMQJSTMJMNB,PSXMRANNSA,N,DG(21:0/i-14:0/0:0),UOJLMQJSTMJMNB-PSXMRANNSA-N
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HMDB94405,764.725776191,C49H96O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C49H96O5/c1-4-6-7-8-9-10-11-12-13-14-18-21-24-27-30-33-36-39-42-48(51)53-45-47(44-50)54-49(52)43-40-37-34-31-28-25-22-19-16-15-17-20-23-26-29-32-35-38-41-46(3)5-2/h46-47,50H,4-45H2,1-3H3/t46?,47-/m1/s1",KIXMHXYXKYKBDH,PRCKHXDNSA,N,DG(21:0/a-25:0/0:0),KIXMHXYXKYKBDH-PRCKHXDNSA-N
HMDB94406,764.725776191,C49H96O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C49H96O5/c1-4-6-7-8-9-10-11-12-13-14-18-21-24-27-30-33-36-39-42-48(51)53-44-47(50)45-54-49(52)43-40-37-34-31-28-25-22-19-16-15-17-20-23-26-29-32-35-38-41-46(3)5-2/h46-47,50H,4-45H2,1-3H3/t46?,47-/m0/s1",ZGQGLKSNTYUXTN,BRQCZXMFSA,N,DG(21:0/0:0/a-25:0),ZGQGLKSNTYUXTN-BRQCZXMFSA-N
HMDB94407,764.725776191,C49H96O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C49H96O5/c1-5-45(3)39-35-31-27-23-19-15-11-9-7-8-10-12-18-22-26-30-34-38-42-49(52)54-47(43-50)44-53-48(51)41-37-33-29-25-21-17-14-13-16-20-24-28-32-36-40-46(4)6-2/h45-47,50H,5-44H2,1-4H3/t45?,46?,47-/m1/s1",WPIKCEDKFAPCKS,UYKUTXPZSA,N,DG(a-21:0/a-25:0/0:0),WPIKCEDKFAPCKS-UYKUTXPZSA-N
HMDB94408,764.725776191,C49H96O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C49H96O5/c1-5-45(3)39-35-31-27-23-19-15-11-9-7-8-10-12-17-21-25-29-33-37-41-48(51)53-43-47(50)44-54-49(52)42-38-34-30-26-22-18-14-13-16-20-24-28-32-36-40-46(4)6-2/h45-47,50H,5-44H2,1-4H3/t45?,46?,47-/m1/s1",BMJRMGQFMUHQSN,UYKUTXPZSA,N,DG(a-21:0/0:0/a-25:0),BMJRMGQFMUHQSN-UYKUTXPZSA-N
HMDB94409,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,"InChI=1S/C33H64O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-27-32(35)37-30-31(29-34)38-33(36)28-26-23-8-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m1/s1",CSPQFUGHYJVYJM,WJOKGBTCSA,N,DG(22:0/8:0/0:0),CSPQFUGHYJVYJM-WJOKGBTCSA-N
HMDB94410,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C33H64O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-8-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m1/s1",UCXMCSMBYOTJEO,WJOKGBTCSA,N,DG(22:0/0:0/8:0),UCXMCSMBYOTJEO-WJOKGBTCSA-N
HMDB94411,540.475375161,C33H64O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,"InChI=1S/C33H64O5/c1-4-5-6-19-24-27-33(36)38-31(28-34)29-37-32(35)26-23-21-18-16-14-12-10-8-7-9-11-13-15-17-20-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",VBJCRMUEBKIMJX,WJOKGBTCSA,N,DG(i-22:0/8:0/0:0),VBJCRMUEBKIMJX-WJOKGBTCSA-N
HMDB94412,540.475375161,C33H64O5,[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C33H64O5/c1-4-5-6-19-23-26-32(35)37-28-31(34)29-38-33(36)27-24-21-18-16-14-12-10-8-7-9-11-13-15-17-20-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m1/s1",UEUVSNPXUHDBJC,WJOKGBTCSA,N,DG(i-22:0/0:0/8:0),UEUVSNPXUHDBJC-WJOKGBTCSA-N
HMDB94413,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-23-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",XLPIKANZEWEIDY,MGBGTMOVSA,N,DG(22:0/10:0/0:0),XLPIKANZEWEIDY-MGBGTMOVSA-N
HMDB94414,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1",WPYLEIMKSLLCPE,MGBGTMOVSA,N,DG(22:0/0:0/10:0),WPYLEIMKSLLCPE-MGBGTMOVSA-N
HMDB94415,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C35H68O5/c1-4-5-6-7-18-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-20-17-15-13-11-9-8-10-12-14-16-19-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",ZQEYUCFRMMQVOW,MGBGTMOVSA,N,DG(i-22:0/10:0/0:0),ZQEYUCFRMMQVOW-MGBGTMOVSA-N
HMDB94416,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-7-18-22-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-17-15-13-11-9-8-10-12-14-16-19-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",KOYLWWNQGOALAR,MGBGTMOVSA,N,DG(i-22:0/0:0/10:0),KOYLWWNQGOALAR-MGBGTMOVSA-N
HMDB94417,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-23-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m1/s1",NVQYILZQSHTZGF,PGUFJCEWSA,N,DG(22:0/12:0/0:0),NVQYILZQSHTZGF-PGUFJCEWSA-N
HMDB94418,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m1/s1",IEJJSOYUAJAAOU,PGUFJCEWSA,N,DG(22:0/0:0/12:0),IEJJSOYUAJAAOU-PGUFJCEWSA-N
HMDB94419,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C37H72O5/c1-4-5-6-7-8-17-22-25-28-31-37(40)42-35(32-38)33-41-36(39)30-27-24-21-19-16-14-12-10-9-11-13-15-18-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",UHCPOEOIUOWULP,PGUFJCEWSA,N,DG(i-22:0/12:0/0:0),UHCPOEOIUOWULP-PGUFJCEWSA-N
HMDB94420,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-17-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-16-14-12-10-9-11-13-15-18-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",RPJCIHSCMZJTQY,PGUFJCEWSA,N,DG(i-22:0/0:0/12:0),RPJCIHSCMZJTQY-PGUFJCEWSA-N
HMDB94421,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-33(2)27-23-19-15-13-11-9-7-5-6-8-10-12-14-16-21-25-29-36(39)41-32-35(31-38)42-37(40)30-26-22-18-17-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m1/s1",OIHDTGVWIHXSHV,PGUFJCEWSA,N,DG(i-22:0/i-12:0/0:0),OIHDTGVWIHXSHV-PGUFJCEWSA-N
HMDB94422,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-33(2)27-23-19-15-13-11-9-7-5-6-8-10-12-14-16-21-25-29-36(39)41-31-35(38)32-42-37(40)30-26-22-18-17-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m0/s1",WCCKYAGBBIWNRO,DHUJRADRSA,N,DG(i-22:0/0:0/i-12:0),WCCKYAGBBIWNRO-DHUJRADRSA-N
HMDB94423,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-36(39)41-33-35(32-38)42-37(40)31-28-25-22-21-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",QLCVUBGWMKAXLN,PGUFJCEWSA,N,DG(22:0/i-12:0/0:0),QLCVUBGWMKAXLN-PGUFJCEWSA-N
HMDB94424,596.537975418,C37H72O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-21-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m0/s1",UICAKWYFLSJZDK,DHUJRADRSA,N,DG(22:0/0:0/i-12:0),UICAKWYFLSJZDK-DHUJRADRSA-N
HMDB94425,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,"InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-24-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3/t36-/m1/s1",NXCYDJSQNZMPRG,PSXMRANNSA,N,DG(22:0/13:0/0:0),NXCYDJSQNZMPRG-PSXMRANNSA-N
HMDB94426,610.553625483,C38H74O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3/t36-/m1/s1",FHFYJHUEUJCSLZ,PSXMRANNSA,N,DG(22:0/0:0/13:0),FHFYJHUEUJCSLZ-PSXMRANNSA-N
HMDB94427,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,"InChI=1S/C38H74O5/c1-4-5-6-7-8-9-19-23-26-29-32-38(41)43-36(33-39)34-42-37(40)31-28-25-22-20-17-15-13-11-10-12-14-16-18-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m1/s1",UPVRYQRZWPQUMF,PSXMRANNSA,N,DG(i-22:0/13:0/0:0),UPVRYQRZWPQUMF-PSXMRANNSA-N
HMDB94428,610.553625483,C38H74O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-4-5-6-7-8-9-19-22-25-28-31-37(40)42-33-36(39)34-43-38(41)32-29-26-23-20-17-15-13-11-10-12-14-16-18-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m1/s1",JOTRQHJRXVJXTB,PSXMRANNSA,N,DG(i-22:0/0:0/13:0),JOTRQHJRXVJXTB-PSXMRANNSA-N
HMDB94429,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C38H74O5/c1-5-35(4)29-25-21-18-19-23-27-31-38(41)43-36(32-39)33-42-37(40)30-26-22-17-15-13-11-9-7-6-8-10-12-14-16-20-24-28-34(2)3/h34-36,39H,5-33H2,1-4H3/t35?,36-/m1/s1",YVSYKQBBJYSPEV,BEBVUIBBSA,N,DG(i-22:0/a-13:0/0:0),YVSYKQBBJYSPEV-BEBVUIBBSA-N
HMDB94430,610.553625483,C38H74O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C38H74O5/c1-5-35(4)29-25-21-18-19-23-27-31-38(41)43-33-36(39)32-42-37(40)30-26-22-17-15-13-11-9-7-6-8-10-12-14-16-20-24-28-34(2)3/h34-36,39H,5-33H2,1-4H3/t35?,36-/m0/s1",FEHKVSLTMWXURX,UHBYFKDRSA,N,DG(i-22:0/0:0/a-13:0),FEHKVSLTMWXURX-UHBYFKDRSA-N
HMDB94431,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-34(2)28-24-20-16-13-11-9-7-5-6-8-10-12-14-18-22-26-30-37(40)42-33-36(32-39)43-38(41)31-27-23-19-15-17-21-25-29-35(3)4/h34-36,39H,5-33H2,1-4H3/t36-/m1/s1",CFJVDBARWUCJFI,PSXMRANNSA,N,DG(i-22:0/i-13:0/0:0),CFJVDBARWUCJFI-PSXMRANNSA-N
HMDB94432,610.553625483,C38H74O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-34(2)28-24-20-16-13-11-9-7-5-6-8-10-12-14-18-22-26-30-37(40)42-32-36(39)33-43-38(41)31-27-23-19-15-17-21-25-29-35(3)4/h34-36,39H,5-33H2,1-4H3/t36-/m0/s1",NJYIFZQAHWULEU,BHVANESWSA,N,DG(i-22:0/0:0/i-13:0),NJYIFZQAHWULEU-BHVANESWSA-N
HMDB94433,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-28-31-37(40)42-34-36(33-39)43-38(41)32-29-26-23-20-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m1/s1",KBLMTQQTAUOFDN,PSXMRANNSA,N,DG(22:0/i-13:0/0:0),KBLMTQQTAUOFDN-PSXMRANNSA-N
HMDB94434,610.553625483,C38H74O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,"InChI=1S/C38H74O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-28-31-37(40)42-33-36(39)34-43-38(41)32-29-26-23-20-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m0/s1",WAUCKORGQKWTFB,BHVANESWSA,N,DG(22:0/0:0/i-13:0),WAUCKORGQKWTFB-BHVANESWSA-N
HMDB94435,610.553625483,C38H74O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,"InChI=1S/C38H74O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-37(40)42-34-36(33-39)43-38(41)32-29-26-23-22-24-27-30-35(3)5-2/h35-36,39H,4-34H2,1-3H3/t35?,36-/m1/s1",WAKGGVUQAUUEAD,BEBVUIBBSA,N,DG(22:0/a-13:0/0:0),WAKGGVUQAUUEAD-BEBVUIBBSA-N
HMDB94436,610.553625483,C38H74O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,"InChI=1S/C38H74O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-37(40)42-33-36(39)34-43-38(41)32-29-26-23-22-24-27-30-35(3)5-2/h35-36,39H,4-34H2,1-3H3/t35?,36-/m0/s1",RKCYGENFIXHLBT,UHBYFKDRSA,N,DG(22:0/0:0/a-13:0),RKCYGENFIXHLBT-UHBYFKDRSA-N
HMDB94437,624.569275547,C39H76O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m1/s1",UBFSTFBCOKPTDN,DIPNUNPCSA,N,DG(22:0/0:0/14:0),UBFSTFBCOKPTDN-DIPNUNPCSA-N
HMDB94438,624.569275547,C39H76O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C39H76O5/c1-4-5-6-7-8-9-16-21-24-27-30-33-39(42)44-37(34-40)35-43-38(41)32-29-26-23-20-18-15-13-11-10-12-14-17-19-22-25-28-31-36(2)3/h36-37,40H,4-35H2,1-3H3/t37-/m1/s1",GFPXMTLWBCMZRN,DIPNUNPCSA,N,DG(i-22:0/14:0/0:0),GFPXMTLWBCMZRN-DIPNUNPCSA-N
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HMDB94500,722.678825998,C46H90O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C46H90O5/c1-5-43(4)37-33-29-25-21-17-13-10-11-15-19-23-27-31-35-39-46(49)51-44(40-47)41-50-45(48)38-34-30-26-22-18-14-9-7-6-8-12-16-20-24-28-32-36-42(2)3/h42-44,47H,5-41H2,1-4H3/t43?,44-/m1/s1",HRYIAOKVVHHJCF,JXDVSCHGSA,N,DG(i-22:0/a-21:0/0:0),HRYIAOKVVHHJCF-JXDVSCHGSA-N
HMDB94501,722.678825998,C46H90O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C46H90O5/c1-5-43(4)37-33-29-25-21-17-13-10-11-15-19-23-27-31-35-39-46(49)51-41-44(47)40-50-45(48)38-34-30-26-22-18-14-9-7-6-8-12-16-20-24-28-32-36-42(2)3/h42-44,47H,5-41H2,1-4H3/t43?,44-/m0/s1",GHRZGIIIWWVIKM,GGEHFJKESA,N,DG(i-22:0/0:0/a-21:0),GHRZGIIIWWVIKM-GGEHFJKESA-N
HMDB94502,722.678825998,C46H90O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C46H90O5/c1-42(2)36-32-28-24-20-16-12-8-5-6-10-14-18-22-26-30-34-38-45(48)50-41-44(40-47)51-46(49)39-35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-37-43(3)4/h42-44,47H,5-41H2,1-4H3/t44-/m1/s1",AJRCZXAVDHFWMD,USYZEHPZSA,N,DG(i-22:0/i-21:0/0:0),AJRCZXAVDHFWMD-USYZEHPZSA-N
HMDB94503,722.678825998,C46H90O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C46H90O5/c1-42(2)36-32-28-24-20-16-12-8-5-6-10-14-18-22-26-30-34-38-45(48)50-40-44(47)41-51-46(49)39-35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-37-43(3)4/h42-44,47H,5-41H2,1-4H3/t44-/m0/s1",ZNABXJQAWOKTFW,SJARJILFSA,N,DG(i-22:0/0:0/i-21:0),ZNABXJQAWOKTFW-SJARJILFSA-N
HMDB94504,722.678825998,C46H90O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C46H90O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-33-36-39-45(48)50-42-44(41-47)51-46(49)40-37-34-31-28-25-22-19-16-17-20-23-26-29-32-35-38-43(2)3/h43-44,47H,4-42H2,1-3H3/t44-/m1/s1",JEMPXSFKSFPFNB,USYZEHPZSA,N,DG(22:0/i-21:0/0:0),JEMPXSFKSFPFNB-USYZEHPZSA-N
HMDB94505,722.678825998,C46H90O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C46H90O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-33-36-39-45(48)50-41-44(47)42-51-46(49)40-37-34-31-28-25-22-19-16-17-20-23-26-29-32-35-38-43(2)3/h43-44,47H,4-42H2,1-3H3/t44-/m0/s1",MGFBXGNHVMGGDK,SJARJILFSA,N,DG(22:0/0:0/i-21:0),MGFBXGNHVMGGDK-SJARJILFSA-N
HMDB94506,722.678825998,C46H90O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C46H90O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-36-39-45(48)50-42-44(41-47)51-46(49)40-37-34-31-28-25-22-19-18-20-23-26-29-32-35-38-43(3)5-2/h43-44,47H,4-42H2,1-3H3/t43?,44-/m1/s1",RCOLATLCWGRALJ,JXDVSCHGSA,N,DG(22:0/a-21:0/0:0),RCOLATLCWGRALJ-JXDVSCHGSA-N
HMDB94507,722.678825998,C46H90O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C46H90O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-36-39-45(48)50-41-44(47)42-51-46(49)40-37-34-31-28-25-22-19-18-20-23-26-29-32-35-38-43(3)5-2/h43-44,47H,4-42H2,1-3H3/t43?,44-/m0/s1",POSXYXDEVJHGSD,GGEHFJKESA,N,DG(22:0/0:0/a-21:0),POSXYXDEVJHGSD-GGEHFJKESA-N
HMDB94508,736.694476062,C47H92O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C47H92O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-23-26-29-32-35-38-41-47(50)52-45(42-48)43-51-46(49)40-37-34-31-28-25-22-19-17-16-18-21-24-27-30-33-36-39-44(2)3/h44-45,48H,4-43H2,1-3H3/t45-/m1/s1",BUPDZNQYOFKBKN,WBVITSLISA,N,DG(i-22:0/22:0/0:0),BUPDZNQYOFKBKN-WBVITSLISA-N
HMDB94509,736.694476062,C47H92O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C47H92O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-34-37-40-46(49)51-42-45(48)43-52-47(50)41-38-35-32-29-26-23-20-17-16-18-21-24-27-30-33-36-39-44(2)3/h44-45,48H,4-43H2,1-3H3/t45-/m1/s1",VTRYJBPGTNFTHP,WBVITSLISA,N,DG(i-22:0/0:0/22:0),VTRYJBPGTNFTHP-WBVITSLISA-N
HMDB94510,736.694476062,C47H92O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C47H92O5/c1-43(2)37-33-29-25-21-17-13-9-5-7-11-15-19-23-27-31-35-39-46(49)51-42-45(41-48)52-47(50)40-36-32-28-24-20-16-12-8-6-10-14-18-22-26-30-34-38-44(3)4/h43-45,48H,5-42H2,1-4H3/t45-/m1/s1",WZEZRXCICRQFSS,WBVITSLISA,N,DG(i-22:0/i-22:0/0:0),WZEZRXCICRQFSS-WBVITSLISA-N
HMDB94511,736.694476062,C47H92O5,[H]C(O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C47H92O5/c1-43(2)37-33-29-25-21-17-13-9-5-7-11-15-19-23-27-31-35-39-46(49)51-41-45(48)42-52-47(50)40-36-32-28-24-20-16-12-8-6-10-14-18-22-26-30-34-38-44(3)4/h43-45,48H,5-42H2,1-4H3",RPBFEXIWSDRPFQ,UHFFFAOYSA,N,DG(i-22:0/0:0/i-22:0),RPBFEXIWSDRPFQ-UHFFFAOYSA-N
HMDB94512,736.694476062,C47H92O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C47H92O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-34-37-40-46(49)51-43-45(42-48)52-47(50)41-38-35-32-29-26-23-20-17-16-18-21-24-27-30-33-36-39-44(2)3/h44-45,48H,4-43H2,1-3H3/t45-/m1/s1",RMRCEEBXRDCMQH,WBVITSLISA,N,DG(22:0/i-22:0/0:0),RMRCEEBXRDCMQH-WBVITSLISA-N
HMDB94513,736.694476062,C47H92O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C47H92O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-34-37-40-46(49)51-42-45(48)43-52-47(50)41-38-35-32-29-26-23-20-17-16-18-21-24-27-30-33-36-39-44(2)3/h44-45,48H,4-43H2,1-3H3/t45-/m0/s1",VTRYJBPGTNFTHP,GWHBCOKCSA,N,DG(22:0/0:0/i-22:0),VTRYJBPGTNFTHP-GWHBCOKCSA-N
HMDB94514,764.725776191,C49H96O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C49H96O5/c1-45(2)39-35-31-27-23-19-15-11-7-5-6-8-14-18-22-26-30-34-38-42-49(52)54-47(43-50)44-53-48(51)41-37-33-29-25-21-17-13-10-9-12-16-20-24-28-32-36-40-46(3)4/h45-47,50H,5-44H2,1-4H3/t47-/m1/s1",BGKHVHFUGCSNIG,QZNUWAOFSA,N,DG(i-22:0/i-24:0/0:0),BGKHVHFUGCSNIG-QZNUWAOFSA-N
HMDB94515,764.725776191,C49H96O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C49H96O5/c1-45(2)39-35-31-27-23-19-15-11-7-5-6-8-13-17-21-25-29-33-37-41-48(51)53-43-47(50)44-54-49(52)42-38-34-30-26-22-18-14-10-9-12-16-20-24-28-32-36-40-46(3)4/h45-47,50H,5-44H2,1-4H3/t47-/m1/s1",JKCWKASRVWNGOO,QZNUWAOFSA,N,DG(i-22:0/0:0/i-24:0),JKCWKASRVWNGOO-QZNUWAOFSA-N
HMDB94516,764.725776191,C49H96O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C49H96O5/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-33-36-39-42-48(51)53-45-47(44-50)54-49(52)43-40-37-34-31-28-25-22-19-16-15-17-20-23-26-29-32-35-38-41-46(2)3/h46-47,50H,4-45H2,1-3H3/t47-/m1/s1",ZGFAFBNTOGTMAQ,QZNUWAOFSA,N,DG(22:0/i-24:0/0:0),ZGFAFBNTOGTMAQ-QZNUWAOFSA-N
HMDB94517,764.725776191,C49H96O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C49H96O5/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-33-36-39-42-48(51)53-44-47(50)45-54-49(52)43-40-37-34-31-28-25-22-19-16-15-17-20-23-26-29-32-35-38-41-46(2)3/h46-47,50H,4-45H2,1-3H3/t47-/m0/s1",DWTRIEFRQXOTIU,MFERNQICSA,N,DG(22:0/0:0/i-24:0),DWTRIEFRQXOTIU-MFERNQICSA-N
HMDB94518,778.741426256,C50H98O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C50H98O5/c1-5-47(4)41-37-33-29-25-21-17-13-8-6-7-9-15-19-23-27-31-35-39-43-50(53)55-48(44-51)45-54-49(52)42-38-34-30-26-22-18-14-11-10-12-16-20-24-28-32-36-40-46(2)3/h46-48,51H,5-45H2,1-4H3/t47?,48-/m1/s1",ZOJLKJOGYBOWHP,YZMWRMHMSA,N,DG(i-22:0/a-25:0/0:0),ZOJLKJOGYBOWHP-YZMWRMHMSA-N
HMDB94519,778.741426256,C50H98O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C50H98O5/c1-5-47(4)41-37-33-29-25-21-17-13-8-6-7-9-14-18-22-26-30-34-38-42-49(52)54-44-48(51)45-55-50(53)43-39-35-31-27-23-19-15-11-10-12-16-20-24-28-32-36-40-46(2)3/h46-48,51H,5-45H2,1-4H3/t47?,48-/m1/s1",XPPPDBCBIBSEEW,YZMWRMHMSA,N,DG(i-22:0/0:0/a-25:0),XPPPDBCBIBSEEW-YZMWRMHMSA-N
HMDB94520,778.741426256,C50H98O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C50H98O5/c1-4-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-34-37-40-43-49(52)54-46-48(45-51)55-50(53)44-41-38-35-32-29-26-23-20-17-16-18-21-24-27-30-33-36-39-42-47(3)5-2/h47-48,51H,4-46H2,1-3H3/t47?,48-/m1/s1",AXVGHTJJGOIURA,YZMWRMHMSA,N,DG(22:0/a-25:0/0:0),AXVGHTJJGOIURA-YZMWRMHMSA-N
HMDB94521,778.741426256,C50H98O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C50H98O5/c1-4-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-34-37-40-43-49(52)54-45-48(51)46-55-50(53)44-41-38-35-32-29-26-23-20-17-16-18-21-24-27-30-33-36-39-42-47(3)5-2/h47-48,51H,4-46H2,1-3H3/t47?,48-/m0/s1",IICIEABYWHDAMU,HOMNMMCZSA,N,DG(22:0/0:0/a-25:0),IICIEABYWHDAMU-HOMNMMCZSA-N
HMDB94522,568.50667529,C35H68O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,"InChI=1S/C35H68O5/c1-4-5-6-21-26-29-35(38)40-33(30-36)31-39-34(37)28-25-23-20-18-16-14-12-10-8-7-9-11-13-15-17-19-22-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",LYYWTCSOJQNNNP,MGBGTMOVSA,N,DG(i-24:0/8:0/0:0),LYYWTCSOJQNNNP-MGBGTMOVSA-N
HMDB94523,568.50667529,C35H68O5,[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C35H68O5/c1-4-5-6-21-25-28-34(37)39-30-33(36)31-40-35(38)29-26-23-20-18-16-14-12-10-8-7-9-11-13-15-17-19-22-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m1/s1",MIAZIMAGTRXTAC,MGBGTMOVSA,N,DG(i-24:0/0:0/8:0),MIAZIMAGTRXTAC-MGBGTMOVSA-N
HMDB94524,596.537975418,C37H72O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,"InChI=1S/C37H72O5/c1-4-5-6-7-20-25-28-31-37(40)42-35(32-38)33-41-36(39)30-27-24-22-19-17-15-13-11-9-8-10-12-14-16-18-21-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",IWOIAQBXPRMTIT,PGUFJCEWSA,N,DG(i-24:0/10:0/0:0),IWOIAQBXPRMTIT-PGUFJCEWSA-N
HMDB94525,596.537975418,C37H72O5,[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C37H72O5/c1-4-5-6-7-20-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-17-15-13-11-9-8-10-12-14-16-18-21-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1",HACILUQFORJOBN,PGUFJCEWSA,N,DG(i-24:0/0:0/10:0),HACILUQFORJOBN-PGUFJCEWSA-N
HMDB94526,624.569275547,C39H76O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C39H76O5/c1-4-5-6-7-8-19-24-27-30-33-39(42)44-37(34-40)35-43-38(41)32-29-26-23-21-18-16-14-12-10-9-11-13-15-17-20-22-25-28-31-36(2)3/h36-37,40H,4-35H2,1-3H3/t37-/m1/s1",PICPDYBKPDTFLK,DIPNUNPCSA,N,DG(i-24:0/12:0/0:0),PICPDYBKPDTFLK-DIPNUNPCSA-N
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HMDB94624,750.710126127,C48H94O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C48H94O5/c1-5-45(4)39-35-31-27-23-19-15-10-8-6-7-9-11-16-20-24-28-32-36-40-47(50)52-43-46(42-49)53-48(51)41-37-33-29-25-21-17-13-12-14-18-22-26-30-34-38-44(2)3/h44-46,49H,5-43H2,1-4H3/t45?,46-/m1/s1",ASFVBZYBNPKPSY,NTOMMRJQSA,N,DG(a-25:0/i-20:0/0:0),ASFVBZYBNPKPSY-NTOMMRJQSA-N
HMDB94625,750.710126127,C48H94O5,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C48H94O5/c1-5-45(4)39-35-31-27-23-19-15-10-8-6-7-9-11-16-20-24-28-32-36-40-47(50)52-42-46(49)43-53-48(51)41-37-33-29-25-21-17-13-12-14-18-22-26-30-34-38-44(2)3/h44-46,49H,5-43H2,1-4H3/t45?,46-/m0/s1",ZYTJLPUHRIJCOJ,RIVVNBGWSA,N,DG(a-25:0/0:0/i-20:0),ZYTJLPUHRIJCOJ-RIVVNBGWSA-N
HMDB94626,750.710126127,C48H94O5,[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1S/C48H94O5/c1-4-6-7-8-9-10-11-12-13-16-21-24-27-30-33-36-39-42-48(51)53-46(43-49)44-52-47(50)41-38-35-32-29-26-23-20-18-15-14-17-19-22-25-28-31-34-37-40-45(3)5-2/h45-46,49H,4-44H2,1-3H3/t45?,46-/m1/s1",NMNDRWGIVSDCAO,NTOMMRJQSA,N,DG(a-25:0/20:0/0:0),NMNDRWGIVSDCAO-NTOMMRJQSA-N
HMDB94627,750.710126127,C48H94O5,[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C48H94O5/c1-4-6-7-8-9-10-11-12-13-16-20-23-26-29-32-35-38-41-47(50)52-43-46(49)44-53-48(51)42-39-36-33-30-27-24-21-18-15-14-17-19-22-25-28-31-34-37-40-45(3)5-2/h45-46,49H,4-44H2,1-3H3/t45?,46-/m1/s1",JBCIYBFXOMYLQQ,NTOMMRJQSA,N,DG(a-25:0/0:0/20:0),JBCIYBFXOMYLQQ-NTOMMRJQSA-N
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